USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 923 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 92 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 100 SER OG : rot 170:sc= 0 USER MOD Set 2.1: A 13 TYR OH : rot 180:sc= 0.916 USER MOD Set 2.2: A 84 SER OG : rot -110:sc= 1.17 USER MOD Set 3.1: A 55 SER OG : rot 44:sc= 0.252 USER MOD Set 3.2: A 64 HIS : no HD1:sc= -2.77! C(o=-2.5!,f=-4.6!) USER MOD Set 4.1: A 35 HIS : no HE2:sc= -2.88 X(o=-3.7,f=-3.6!) USER MOD Set 4.2: A 39 THR OG1 : rot -110:sc= -0.782 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -33:sc= 1.27 USER MOD Single : A 16 TYR OH : rot 180:sc= -0.294 USER MOD Single : A 22 ASN : amide:sc= -0.456 K(o=-0.46,f=-1.5!) USER MOD Single : A 23 MET CE :methyl 152:sc= -5.97! (180deg=-8.29!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot -88:sc= 0.402 USER MOD Single : A 30 ASN : amide:sc= -0.0677 K(o=-0.068,f=-1.9!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 132:sc= 1.19 USER MOD Single : A 57 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.68) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.0312 K(o=-0.031,f=-0.57) USER MOD Single : A 75 HIS : no HD1:sc= -2.56! K(o=-2.6!,f=-0.99) USER MOD Single : A 77 THR OG1 : rot -54:sc= 0.273 USER MOD Single : A 80 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.272) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.683 K(o=-0.68,f=-1.7!) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc= -5.82! C(o=-5.8!,f=-11!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc=-0.00525 K(o=-0.0052,f=-0.76) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 30:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 117:sc= 0.0823 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.683 -13.545 -4.131 1.00 0.00 N ATOM 2 CA GLY A 1 -0.152 -12.663 -3.109 1.00 0.00 C ATOM 3 C GLY A 1 1.134 -13.188 -2.501 1.00 0.00 C ATOM 4 O GLY A 1 2.048 -13.593 -3.219 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.561 -13.142 -4.515 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.014 -13.649 -4.896 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.883 -14.477 -3.715 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.029 -11.679 -3.541 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.896 -12.534 -2.323 1.00 0.00 H new ATOM 8 N SER A 2 1.205 -13.181 -1.174 1.00 0.00 N ATOM 9 CA SER A 2 2.391 -13.655 -0.470 1.00 0.00 C ATOM 10 C SER A 2 3.000 -14.860 -1.182 1.00 0.00 C ATOM 11 O SER A 2 2.292 -15.650 -1.804 1.00 0.00 O ATOM 12 CB SER A 2 2.039 -14.025 0.973 1.00 0.00 C ATOM 13 OG SER A 2 3.204 -14.104 1.778 1.00 0.00 O ATOM 0 H SER A 2 0.456 -12.853 -0.565 1.00 0.00 H new ATOM 0 HA SER A 2 3.126 -12.850 -0.463 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.357 -13.282 1.386 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.516 -14.981 0.989 1.00 0.00 H new ATOM 0 HG SER A 2 2.952 -14.340 2.695 1.00 0.00 H new ATOM 19 N SER A 3 4.319 -14.991 -1.086 1.00 0.00 N ATOM 20 CA SER A 3 5.026 -16.095 -1.723 1.00 0.00 C ATOM 21 C SER A 3 4.225 -17.389 -1.612 1.00 0.00 C ATOM 22 O SER A 3 3.954 -18.051 -2.612 1.00 0.00 O ATOM 23 CB SER A 3 6.406 -16.280 -1.087 1.00 0.00 C ATOM 24 OG SER A 3 7.308 -15.281 -1.529 1.00 0.00 O ATOM 0 H SER A 3 4.920 -14.346 -0.573 1.00 0.00 H new ATOM 0 HA SER A 3 5.150 -15.854 -2.779 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.318 -16.241 -0.001 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.797 -17.265 -1.339 1.00 0.00 H new ATOM 0 HG SER A 3 8.182 -15.420 -1.108 1.00 0.00 H new ATOM 30 N GLY A 4 3.849 -17.742 -0.387 1.00 0.00 N ATOM 31 CA GLY A 4 3.084 -18.955 -0.166 1.00 0.00 C ATOM 32 C GLY A 4 3.532 -20.094 -1.057 1.00 0.00 C ATOM 33 O GLY A 4 4.647 -20.600 -0.918 1.00 0.00 O ATOM 0 H GLY A 4 4.061 -17.209 0.457 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.179 -19.255 0.877 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.028 -18.752 -0.344 1.00 0.00 H new ATOM 37 N SER A 5 2.664 -20.502 -1.978 1.00 0.00 N ATOM 38 CA SER A 5 2.976 -21.595 -2.892 1.00 0.00 C ATOM 39 C SER A 5 3.659 -21.071 -4.151 1.00 0.00 C ATOM 40 O SER A 5 3.793 -19.861 -4.340 1.00 0.00 O ATOM 41 CB SER A 5 1.701 -22.353 -3.268 1.00 0.00 C ATOM 42 OG SER A 5 0.782 -21.505 -3.934 1.00 0.00 O ATOM 0 H SER A 5 1.739 -20.092 -2.111 1.00 0.00 H new ATOM 0 HA SER A 5 3.659 -22.276 -2.385 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.952 -23.198 -3.910 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.239 -22.762 -2.369 1.00 0.00 H new ATOM 0 HG SER A 5 -0.023 -22.013 -4.165 1.00 0.00 H new ATOM 48 N SER A 6 4.091 -21.989 -5.009 1.00 0.00 N ATOM 49 CA SER A 6 4.764 -21.621 -6.249 1.00 0.00 C ATOM 50 C SER A 6 3.755 -21.426 -7.378 1.00 0.00 C ATOM 51 O SER A 6 3.515 -22.332 -8.174 1.00 0.00 O ATOM 52 CB SER A 6 5.782 -22.694 -6.639 1.00 0.00 C ATOM 53 OG SER A 6 6.361 -22.412 -7.901 1.00 0.00 O ATOM 0 H SER A 6 3.987 -22.994 -4.868 1.00 0.00 H new ATOM 0 HA SER A 6 5.286 -20.678 -6.085 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.563 -22.751 -5.881 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.295 -23.669 -6.668 1.00 0.00 H new ATOM 0 HG SER A 6 7.009 -23.111 -8.127 1.00 0.00 H new ATOM 59 N GLY A 7 3.169 -20.234 -7.439 1.00 0.00 N ATOM 60 CA GLY A 7 2.193 -19.939 -8.473 1.00 0.00 C ATOM 61 C GLY A 7 2.830 -19.767 -9.837 1.00 0.00 C ATOM 62 O GLY A 7 4.029 -19.512 -9.943 1.00 0.00 O ATOM 0 H GLY A 7 3.352 -19.468 -6.791 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.459 -20.744 -8.517 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.653 -19.029 -8.210 1.00 0.00 H new ATOM 66 N SER A 8 2.025 -19.908 -10.886 1.00 0.00 N ATOM 67 CA SER A 8 2.517 -19.771 -12.251 1.00 0.00 C ATOM 68 C SER A 8 3.094 -18.377 -12.484 1.00 0.00 C ATOM 69 O SER A 8 4.253 -18.230 -12.868 1.00 0.00 O ATOM 70 CB SER A 8 1.392 -20.043 -13.252 1.00 0.00 C ATOM 71 OG SER A 8 1.850 -19.903 -14.585 1.00 0.00 O ATOM 0 H SER A 8 1.029 -20.117 -10.816 1.00 0.00 H new ATOM 0 HA SER A 8 3.310 -20.503 -12.399 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.003 -21.050 -13.102 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.567 -19.353 -13.073 1.00 0.00 H new ATOM 0 HG SER A 8 1.113 -20.083 -15.205 1.00 0.00 H new ATOM 77 N ARG A 9 2.274 -17.358 -12.249 1.00 0.00 N ATOM 78 CA ARG A 9 2.700 -15.977 -12.433 1.00 0.00 C ATOM 79 C ARG A 9 2.004 -15.054 -11.436 1.00 0.00 C ATOM 80 O ARG A 9 0.776 -14.990 -11.389 1.00 0.00 O ATOM 81 CB ARG A 9 2.406 -15.515 -13.862 1.00 0.00 C ATOM 82 CG ARG A 9 3.470 -15.924 -14.866 1.00 0.00 C ATOM 83 CD ARG A 9 4.640 -14.952 -14.863 1.00 0.00 C ATOM 84 NE ARG A 9 4.255 -13.630 -15.352 1.00 0.00 N ATOM 85 CZ ARG A 9 5.124 -12.656 -15.597 1.00 0.00 C ATOM 86 NH1 ARG A 9 6.420 -12.854 -15.400 1.00 0.00 N ATOM 87 NH2 ARG A 9 4.696 -11.481 -16.040 1.00 0.00 N ATOM 0 H ARG A 9 1.311 -17.463 -11.931 1.00 0.00 H new ATOM 0 HA ARG A 9 3.775 -15.930 -12.257 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.446 -15.924 -14.176 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.309 -14.429 -13.871 1.00 0.00 H new ATOM 0 HG2 ARG A 9 3.828 -16.927 -14.631 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.033 -15.967 -15.864 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.035 -14.863 -13.851 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.443 -15.349 -15.485 1.00 0.00 H new ATOM 0 HE ARG A 9 3.265 -13.445 -15.514 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.752 -13.756 -15.059 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.085 -12.104 -15.589 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.699 -11.326 -16.192 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.363 -10.733 -16.228 1.00 0.00 H new ATOM 101 N GLU A 10 2.798 -14.344 -10.641 1.00 0.00 N ATOM 102 CA GLU A 10 2.257 -13.428 -9.644 1.00 0.00 C ATOM 103 C GLU A 10 2.584 -11.980 -10.002 1.00 0.00 C ATOM 104 O GLU A 10 3.523 -11.713 -10.751 1.00 0.00 O ATOM 105 CB GLU A 10 2.813 -13.760 -8.258 1.00 0.00 C ATOM 106 CG GLU A 10 2.055 -14.869 -7.548 1.00 0.00 C ATOM 107 CD GLU A 10 2.097 -16.182 -8.306 1.00 0.00 C ATOM 108 OE1 GLU A 10 3.210 -16.702 -8.530 1.00 0.00 O ATOM 109 OE2 GLU A 10 1.016 -16.689 -8.676 1.00 0.00 O ATOM 0 H GLU A 10 3.817 -14.385 -10.668 1.00 0.00 H new ATOM 0 HA GLU A 10 1.173 -13.546 -9.630 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.859 -14.051 -8.355 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.788 -12.862 -7.641 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.478 -15.014 -6.554 1.00 0.00 H new ATOM 0 HG3 GLU A 10 1.017 -14.565 -7.412 1.00 0.00 H new ATOM 116 N ILE A 11 1.801 -11.053 -9.461 1.00 0.00 N ATOM 117 CA ILE A 11 2.007 -9.633 -9.722 1.00 0.00 C ATOM 118 C ILE A 11 3.271 -9.126 -9.036 1.00 0.00 C ATOM 119 O ILE A 11 3.489 -9.376 -7.850 1.00 0.00 O ATOM 120 CB ILE A 11 0.806 -8.794 -9.248 1.00 0.00 C ATOM 121 CG1 ILE A 11 -0.475 -9.260 -9.940 1.00 0.00 C ATOM 122 CG2 ILE A 11 1.053 -7.317 -9.518 1.00 0.00 C ATOM 123 CD1 ILE A 11 -1.727 -8.598 -9.406 1.00 0.00 C ATOM 0 H ILE A 11 1.019 -11.259 -8.840 1.00 0.00 H new ATOM 0 HA ILE A 11 2.113 -9.522 -10.801 1.00 0.00 H new ATOM 0 HB ILE A 11 0.686 -8.933 -8.173 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.395 -9.059 -11.008 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.568 -10.340 -9.825 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.195 -6.737 -9.178 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.946 -6.994 -8.983 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.195 -7.161 -10.587 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.596 -8.977 -9.943 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.832 -8.820 -8.344 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.656 -7.519 -9.545 1.00 0.00 H new ATOM 135 N ASP A 12 4.100 -8.410 -9.788 1.00 0.00 N ATOM 136 CA ASP A 12 5.341 -7.864 -9.252 1.00 0.00 C ATOM 137 C ASP A 12 5.131 -6.444 -8.736 1.00 0.00 C ATOM 138 O ASP A 12 5.273 -5.475 -9.482 1.00 0.00 O ATOM 139 CB ASP A 12 6.433 -7.876 -10.323 1.00 0.00 C ATOM 140 CG ASP A 12 7.764 -7.376 -9.798 1.00 0.00 C ATOM 141 OD1 ASP A 12 7.773 -6.704 -8.746 1.00 0.00 O ATOM 142 OD2 ASP A 12 8.797 -7.658 -10.439 1.00 0.00 O ATOM 0 H ASP A 12 3.935 -8.194 -10.771 1.00 0.00 H new ATOM 0 HA ASP A 12 5.655 -8.491 -8.418 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.554 -8.890 -10.703 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.121 -7.256 -11.163 1.00 0.00 H new ATOM 147 N TYR A 13 4.793 -6.329 -7.457 1.00 0.00 N ATOM 148 CA TYR A 13 4.561 -5.027 -6.842 1.00 0.00 C ATOM 149 C TYR A 13 5.863 -4.241 -6.722 1.00 0.00 C ATOM 150 O TYR A 13 5.867 -3.011 -6.771 1.00 0.00 O ATOM 151 CB TYR A 13 3.926 -5.198 -5.461 1.00 0.00 C ATOM 152 CG TYR A 13 2.803 -6.211 -5.432 1.00 0.00 C ATOM 153 CD1 TYR A 13 1.746 -6.133 -6.331 1.00 0.00 C ATOM 154 CD2 TYR A 13 2.800 -7.247 -4.506 1.00 0.00 C ATOM 155 CE1 TYR A 13 0.719 -7.056 -6.307 1.00 0.00 C ATOM 156 CE2 TYR A 13 1.778 -8.175 -4.475 1.00 0.00 C ATOM 157 CZ TYR A 13 0.740 -8.075 -5.378 1.00 0.00 C ATOM 158 OH TYR A 13 -0.282 -8.997 -5.351 1.00 0.00 O ATOM 0 H TYR A 13 4.673 -7.121 -6.826 1.00 0.00 H new ATOM 0 HA TYR A 13 3.878 -4.468 -7.482 1.00 0.00 H new ATOM 0 HB2 TYR A 13 4.696 -5.501 -4.751 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.544 -4.234 -5.124 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.727 -5.337 -7.061 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.611 -7.328 -3.798 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.096 -6.980 -7.012 1.00 0.00 H new ATOM 0 HE2 TYR A 13 1.791 -8.974 -3.748 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.116 -9.649 -4.639 1.00 0.00 H new ATOM 168 N THR A 14 6.969 -4.962 -6.564 1.00 0.00 N ATOM 169 CA THR A 14 8.278 -4.335 -6.437 1.00 0.00 C ATOM 170 C THR A 14 8.717 -3.703 -7.753 1.00 0.00 C ATOM 171 O THR A 14 9.789 -3.106 -7.838 1.00 0.00 O ATOM 172 CB THR A 14 9.346 -5.349 -5.986 1.00 0.00 C ATOM 173 OG1 THR A 14 9.716 -6.191 -7.084 1.00 0.00 O ATOM 174 CG2 THR A 14 8.830 -6.203 -4.838 1.00 0.00 C ATOM 0 H THR A 14 6.984 -5.981 -6.521 1.00 0.00 H new ATOM 0 HA THR A 14 8.182 -3.558 -5.679 1.00 0.00 H new ATOM 0 HB THR A 14 10.220 -4.795 -5.642 1.00 0.00 H new ATOM 0 HG1 THR A 14 8.937 -6.338 -7.660 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.601 -6.912 -4.536 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.576 -5.562 -3.994 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.943 -6.748 -5.160 1.00 0.00 H new ATOM 182 N ALA A 15 7.880 -3.839 -8.776 1.00 0.00 N ATOM 183 CA ALA A 15 8.180 -3.279 -10.089 1.00 0.00 C ATOM 184 C ALA A 15 7.607 -1.873 -10.229 1.00 0.00 C ATOM 185 O ALA A 15 8.089 -1.074 -11.032 1.00 0.00 O ATOM 186 CB ALA A 15 7.639 -4.185 -11.184 1.00 0.00 C ATOM 0 H ALA A 15 6.989 -4.332 -8.721 1.00 0.00 H new ATOM 0 HA ALA A 15 9.263 -3.212 -10.191 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.870 -3.755 -12.159 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.100 -5.169 -11.103 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.559 -4.281 -11.076 1.00 0.00 H new ATOM 192 N TYR A 16 6.576 -1.578 -9.445 1.00 0.00 N ATOM 193 CA TYR A 16 5.936 -0.268 -9.485 1.00 0.00 C ATOM 194 C TYR A 16 6.724 0.749 -8.666 1.00 0.00 C ATOM 195 O TYR A 16 7.364 0.419 -7.667 1.00 0.00 O ATOM 196 CB TYR A 16 4.503 -0.362 -8.959 1.00 0.00 C ATOM 197 CG TYR A 16 3.565 -1.103 -9.885 1.00 0.00 C ATOM 198 CD1 TYR A 16 3.087 -0.506 -11.045 1.00 0.00 C ATOM 199 CD2 TYR A 16 3.157 -2.400 -9.601 1.00 0.00 C ATOM 200 CE1 TYR A 16 2.230 -1.179 -11.895 1.00 0.00 C ATOM 201 CE2 TYR A 16 2.301 -3.082 -10.444 1.00 0.00 C ATOM 202 CZ TYR A 16 1.841 -2.467 -11.590 1.00 0.00 C ATOM 203 OH TYR A 16 0.987 -3.142 -12.432 1.00 0.00 O ATOM 0 H TYR A 16 6.166 -2.228 -8.774 1.00 0.00 H new ATOM 0 HA TYR A 16 5.915 0.066 -10.522 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.513 -0.861 -7.990 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.118 0.645 -8.795 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.391 0.502 -11.287 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.516 -2.884 -8.705 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.867 -0.700 -12.792 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.994 -4.090 -10.207 1.00 0.00 H new ATOM 0 HH TYR A 16 0.813 -4.037 -12.073 1.00 0.00 H new ATOM 213 N PRO A 17 6.678 2.017 -9.099 1.00 0.00 N ATOM 214 CA PRO A 17 7.381 3.111 -8.420 1.00 0.00 C ATOM 215 C PRO A 17 6.763 3.447 -7.066 1.00 0.00 C ATOM 216 O PRO A 17 7.449 3.921 -6.161 1.00 0.00 O ATOM 217 CB PRO A 17 7.223 4.288 -9.386 1.00 0.00 C ATOM 218 CG PRO A 17 5.985 3.981 -10.158 1.00 0.00 C ATOM 219 CD PRO A 17 5.936 2.483 -10.282 1.00 0.00 C ATOM 0 HA PRO A 17 8.418 2.855 -8.203 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.131 5.232 -8.848 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.087 4.379 -10.044 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.101 4.359 -9.645 1.00 0.00 H new ATOM 0 HG3 PRO A 17 6.010 4.453 -11.140 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.911 2.114 -10.284 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.400 2.141 -11.207 1.00 0.00 H new ATOM 227 N TRP A 18 5.466 3.196 -6.936 1.00 0.00 N ATOM 228 CA TRP A 18 4.755 3.471 -5.692 1.00 0.00 C ATOM 229 C TRP A 18 5.010 2.374 -4.665 1.00 0.00 C ATOM 230 O TRP A 18 4.346 2.311 -3.632 1.00 0.00 O ATOM 231 CB TRP A 18 3.255 3.603 -5.956 1.00 0.00 C ATOM 232 CG TRP A 18 2.723 2.559 -6.891 1.00 0.00 C ATOM 233 CD1 TRP A 18 2.358 2.735 -8.195 1.00 0.00 C ATOM 234 CD2 TRP A 18 2.494 1.177 -6.591 1.00 0.00 C ATOM 235 NE1 TRP A 18 1.916 1.547 -8.724 1.00 0.00 N ATOM 236 CE2 TRP A 18 1.990 0.575 -7.761 1.00 0.00 C ATOM 237 CE3 TRP A 18 2.668 0.390 -5.450 1.00 0.00 C ATOM 238 CZ2 TRP A 18 1.659 -0.776 -7.820 1.00 0.00 C ATOM 239 CZ3 TRP A 18 2.337 -0.951 -5.510 1.00 0.00 C ATOM 240 CH2 TRP A 18 1.839 -1.524 -6.688 1.00 0.00 C ATOM 0 H TRP A 18 4.885 2.803 -7.676 1.00 0.00 H new ATOM 0 HA TRP A 18 5.129 4.412 -5.289 1.00 0.00 H new ATOM 0 HB2 TRP A 18 2.720 3.539 -5.009 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.052 4.590 -6.371 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.409 3.671 -8.732 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.586 1.410 -9.679 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.054 0.821 -4.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 1.274 -1.218 -8.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.465 -1.568 -4.633 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.593 -2.575 -6.703 1.00 0.00 H new ATOM 251 N PHE A 19 5.977 1.510 -4.958 1.00 0.00 N ATOM 252 CA PHE A 19 6.318 0.413 -4.059 1.00 0.00 C ATOM 253 C PHE A 19 7.520 0.775 -3.192 1.00 0.00 C ATOM 254 O PHE A 19 8.548 1.230 -3.695 1.00 0.00 O ATOM 255 CB PHE A 19 6.617 -0.856 -4.861 1.00 0.00 C ATOM 256 CG PHE A 19 7.456 -1.853 -4.113 1.00 0.00 C ATOM 257 CD1 PHE A 19 8.838 -1.747 -4.104 1.00 0.00 C ATOM 258 CD2 PHE A 19 6.863 -2.897 -3.421 1.00 0.00 C ATOM 259 CE1 PHE A 19 9.612 -2.662 -3.416 1.00 0.00 C ATOM 260 CE2 PHE A 19 7.633 -3.815 -2.731 1.00 0.00 C ATOM 261 CZ PHE A 19 9.010 -3.699 -2.731 1.00 0.00 C ATOM 0 H PHE A 19 6.537 1.548 -5.809 1.00 0.00 H new ATOM 0 HA PHE A 19 5.464 0.230 -3.407 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.676 -1.326 -5.146 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.129 -0.581 -5.783 1.00 0.00 H new ATOM 0 HD1 PHE A 19 9.315 -0.940 -4.641 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.787 -2.995 -3.421 1.00 0.00 H new ATOM 0 HE1 PHE A 19 10.688 -2.566 -3.414 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.159 -4.622 -2.192 1.00 0.00 H new ATOM 0 HZ PHE A 19 9.614 -4.418 -2.197 1.00 0.00 H new ATOM 271 N ALA A 20 7.384 0.569 -1.886 1.00 0.00 N ATOM 272 CA ALA A 20 8.458 0.872 -0.949 1.00 0.00 C ATOM 273 C ALA A 20 9.003 -0.400 -0.307 1.00 0.00 C ATOM 274 O ALA A 20 10.205 -0.528 -0.084 1.00 0.00 O ATOM 275 CB ALA A 20 7.968 1.837 0.121 1.00 0.00 C ATOM 0 H ALA A 20 6.540 0.193 -1.453 1.00 0.00 H new ATOM 0 HA ALA A 20 9.269 1.343 -1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.780 2.055 0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.634 2.762 -0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.138 1.386 0.665 1.00 0.00 H new ATOM 281 N GLY A 21 8.108 -1.339 -0.013 1.00 0.00 N ATOM 282 CA GLY A 21 8.518 -2.588 0.600 1.00 0.00 C ATOM 283 C GLY A 21 8.810 -2.439 2.080 1.00 0.00 C ATOM 284 O GLY A 21 8.074 -1.765 2.799 1.00 0.00 O ATOM 0 H GLY A 21 7.107 -1.256 -0.189 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.734 -3.332 0.461 1.00 0.00 H new ATOM 0 HA3 GLY A 21 9.407 -2.963 0.093 1.00 0.00 H new ATOM 288 N ASN A 22 9.887 -3.071 2.536 1.00 0.00 N ATOM 289 CA ASN A 22 10.273 -3.008 3.940 1.00 0.00 C ATOM 290 C ASN A 22 10.808 -1.624 4.295 1.00 0.00 C ATOM 291 O ASN A 22 11.998 -1.458 4.564 1.00 0.00 O ATOM 292 CB ASN A 22 11.330 -4.070 4.249 1.00 0.00 C ATOM 293 CG ASN A 22 12.475 -4.053 3.255 1.00 0.00 C ATOM 294 OD1 ASN A 22 12.367 -4.601 2.158 1.00 0.00 O ATOM 295 ND2 ASN A 22 13.580 -3.422 3.635 1.00 0.00 N ATOM 0 H ASN A 22 10.508 -3.633 1.953 1.00 0.00 H new ATOM 0 HA ASN A 22 9.386 -3.202 4.544 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.722 -3.907 5.253 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.863 -5.055 4.245 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.383 -3.378 3.008 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.625 -2.982 4.554 1.00 0.00 H new ATOM 302 N MET A 23 9.922 -0.633 4.293 1.00 0.00 N ATOM 303 CA MET A 23 10.306 0.736 4.617 1.00 0.00 C ATOM 304 C MET A 23 9.942 1.077 6.058 1.00 0.00 C ATOM 305 O MET A 23 9.069 0.444 6.653 1.00 0.00 O ATOM 306 CB MET A 23 9.625 1.718 3.661 1.00 0.00 C ATOM 307 CG MET A 23 9.377 3.087 4.272 1.00 0.00 C ATOM 308 SD MET A 23 8.575 4.225 3.126 1.00 0.00 S ATOM 309 CE MET A 23 9.983 5.160 2.535 1.00 0.00 C ATOM 0 H MET A 23 8.934 -0.753 4.071 1.00 0.00 H new ATOM 0 HA MET A 23 11.387 0.820 4.505 1.00 0.00 H new ATOM 0 HB2 MET A 23 10.243 1.833 2.770 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.674 1.296 3.337 1.00 0.00 H new ATOM 0 HG2 MET A 23 8.757 2.976 5.162 1.00 0.00 H new ATOM 0 HG3 MET A 23 10.326 3.513 4.596 1.00 0.00 H new ATOM 0 HE1 MET A 23 9.781 5.524 1.528 1.00 0.00 H new ATOM 0 HE2 MET A 23 10.162 6.007 3.198 1.00 0.00 H new ATOM 0 HE3 MET A 23 10.865 4.519 2.519 1.00 0.00 H new ATOM 319 N GLU A 24 10.616 2.078 6.613 1.00 0.00 N ATOM 320 CA GLU A 24 10.363 2.500 7.986 1.00 0.00 C ATOM 321 C GLU A 24 9.496 3.756 8.018 1.00 0.00 C ATOM 322 O GLU A 24 9.615 4.628 7.157 1.00 0.00 O ATOM 323 CB GLU A 24 11.683 2.760 8.715 1.00 0.00 C ATOM 324 CG GLU A 24 12.457 1.495 9.043 1.00 0.00 C ATOM 325 CD GLU A 24 13.565 1.733 10.049 1.00 0.00 C ATOM 326 OE1 GLU A 24 14.568 2.384 9.685 1.00 0.00 O ATOM 327 OE2 GLU A 24 13.431 1.269 11.199 1.00 0.00 O ATOM 0 H GLU A 24 11.341 2.612 6.134 1.00 0.00 H new ATOM 0 HA GLU A 24 9.828 1.697 8.493 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.307 3.408 8.099 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.478 3.300 9.639 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.770 0.745 9.435 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.885 1.088 8.127 1.00 0.00 H new ATOM 334 N ARG A 25 8.622 3.840 9.016 1.00 0.00 N ATOM 335 CA ARG A 25 7.733 4.986 9.160 1.00 0.00 C ATOM 336 C ARG A 25 8.520 6.292 9.114 1.00 0.00 C ATOM 337 O ARG A 25 8.243 7.166 8.293 1.00 0.00 O ATOM 338 CB ARG A 25 6.954 4.893 10.473 1.00 0.00 C ATOM 339 CG ARG A 25 5.947 3.755 10.505 1.00 0.00 C ATOM 340 CD ARG A 25 5.179 3.726 11.817 1.00 0.00 C ATOM 341 NE ARG A 25 5.855 2.918 12.829 1.00 0.00 N ATOM 342 CZ ARG A 25 5.238 2.388 13.879 1.00 0.00 C ATOM 343 NH1 ARG A 25 3.938 2.581 14.055 1.00 0.00 N ATOM 344 NH2 ARG A 25 5.923 1.665 14.756 1.00 0.00 N ATOM 0 H ARG A 25 8.511 3.127 9.737 1.00 0.00 H new ATOM 0 HA ARG A 25 7.029 4.976 8.328 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.658 4.767 11.295 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.431 5.834 10.643 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.248 3.863 9.676 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.464 2.806 10.364 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.057 4.744 12.188 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.179 3.328 11.643 1.00 0.00 H new ATOM 0 HE ARG A 25 6.856 2.752 12.723 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.409 3.138 13.383 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.467 2.173 14.862 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.923 1.516 14.624 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.449 1.258 15.562 1.00 0.00 H new ATOM 358 N GLN A 26 9.500 6.419 10.004 1.00 0.00 N ATOM 359 CA GLN A 26 10.325 7.619 10.065 1.00 0.00 C ATOM 360 C GLN A 26 10.615 8.153 8.667 1.00 0.00 C ATOM 361 O GLN A 26 10.252 9.281 8.336 1.00 0.00 O ATOM 362 CB GLN A 26 11.638 7.324 10.794 1.00 0.00 C ATOM 363 CG GLN A 26 12.657 8.447 10.688 1.00 0.00 C ATOM 364 CD GLN A 26 14.006 8.066 11.266 1.00 0.00 C ATOM 365 OE1 GLN A 26 14.488 6.952 11.064 1.00 0.00 O ATOM 366 NE2 GLN A 26 14.623 8.993 11.991 1.00 0.00 N ATOM 0 H GLN A 26 9.741 5.706 10.692 1.00 0.00 H new ATOM 0 HA GLN A 26 9.774 8.380 10.617 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.425 7.135 11.846 1.00 0.00 H new ATOM 0 HB3 GLN A 26 12.072 6.411 10.388 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.780 8.724 9.641 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.278 9.327 11.208 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.186 9.904 12.133 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.533 8.794 12.406 1.00 0.00 H new ATOM 375 N GLN A 27 11.271 7.334 7.850 1.00 0.00 N ATOM 376 CA GLN A 27 11.610 7.725 6.488 1.00 0.00 C ATOM 377 C GLN A 27 10.355 8.054 5.687 1.00 0.00 C ATOM 378 O GLN A 27 10.342 8.990 4.887 1.00 0.00 O ATOM 379 CB GLN A 27 12.395 6.610 5.794 1.00 0.00 C ATOM 380 CG GLN A 27 13.902 6.745 5.939 1.00 0.00 C ATOM 381 CD GLN A 27 14.630 5.436 5.709 1.00 0.00 C ATOM 382 OE1 GLN A 27 15.236 4.880 6.625 1.00 0.00 O ATOM 383 NE2 GLN A 27 14.573 4.935 4.480 1.00 0.00 N ATOM 0 H GLN A 27 11.578 6.396 8.109 1.00 0.00 H new ATOM 0 HA GLN A 27 12.231 8.619 6.538 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.084 5.649 6.203 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.140 6.603 4.734 1.00 0.00 H new ATOM 0 HG2 GLN A 27 14.266 7.488 5.230 1.00 0.00 H new ATOM 0 HG3 GLN A 27 14.135 7.116 6.937 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.059 5.430 3.751 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.043 4.056 4.265 1.00 0.00 H new ATOM 392 N THR A 28 9.298 7.277 5.906 1.00 0.00 N ATOM 393 CA THR A 28 8.038 7.483 5.204 1.00 0.00 C ATOM 394 C THR A 28 7.502 8.891 5.440 1.00 0.00 C ATOM 395 O THR A 28 7.106 9.580 4.500 1.00 0.00 O ATOM 396 CB THR A 28 6.974 6.461 5.647 1.00 0.00 C ATOM 397 OG1 THR A 28 7.570 5.167 5.795 1.00 0.00 O ATOM 398 CG2 THR A 28 5.839 6.389 4.636 1.00 0.00 C ATOM 0 H THR A 28 9.291 6.499 6.565 1.00 0.00 H new ATOM 0 HA THR A 28 8.242 7.347 4.142 1.00 0.00 H new ATOM 0 HB THR A 28 6.567 6.785 6.605 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.549 4.697 4.935 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.100 5.661 4.970 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.369 7.368 4.546 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.234 6.086 3.666 1.00 0.00 H new ATOM 406 N ASP A 29 7.493 9.312 6.700 1.00 0.00 N ATOM 407 CA ASP A 29 7.007 10.639 7.059 1.00 0.00 C ATOM 408 C ASP A 29 8.049 11.706 6.735 1.00 0.00 C ATOM 409 O ASP A 29 7.711 12.861 6.479 1.00 0.00 O ATOM 410 CB ASP A 29 6.651 10.691 8.545 1.00 0.00 C ATOM 411 CG ASP A 29 5.548 11.688 8.843 1.00 0.00 C ATOM 412 OD1 ASP A 29 5.654 12.844 8.382 1.00 0.00 O ATOM 413 OD2 ASP A 29 4.580 11.313 9.536 1.00 0.00 O ATOM 0 H ASP A 29 7.817 8.754 7.490 1.00 0.00 H new ATOM 0 HA ASP A 29 6.111 10.841 6.472 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.340 9.700 8.876 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.539 10.954 9.119 1.00 0.00 H new ATOM 418 N ASN A 30 9.318 11.309 6.750 1.00 0.00 N ATOM 419 CA ASN A 30 10.410 12.232 6.460 1.00 0.00 C ATOM 420 C ASN A 30 10.481 12.538 4.967 1.00 0.00 C ATOM 421 O ASN A 30 10.882 13.630 4.564 1.00 0.00 O ATOM 422 CB ASN A 30 11.740 11.645 6.935 1.00 0.00 C ATOM 423 CG ASN A 30 12.021 11.956 8.393 1.00 0.00 C ATOM 424 OD1 ASN A 30 11.205 12.576 9.075 1.00 0.00 O ATOM 425 ND2 ASN A 30 13.183 11.528 8.876 1.00 0.00 N ATOM 0 H ASN A 30 9.615 10.356 6.960 1.00 0.00 H new ATOM 0 HA ASN A 30 10.219 13.162 6.995 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.729 10.564 6.792 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.549 12.039 6.320 1.00 0.00 H new ATOM 0 HD21 ASN A 30 13.429 11.710 9.849 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.829 11.018 8.274 1.00 0.00 H new ATOM 432 N LEU A 31 10.089 11.566 4.150 1.00 0.00 N ATOM 433 CA LEU A 31 10.107 11.731 2.701 1.00 0.00 C ATOM 434 C LEU A 31 8.756 12.224 2.192 1.00 0.00 C ATOM 435 O LEU A 31 8.682 12.953 1.202 1.00 0.00 O ATOM 436 CB LEU A 31 10.469 10.409 2.022 1.00 0.00 C ATOM 437 CG LEU A 31 9.323 9.416 1.833 1.00 0.00 C ATOM 438 CD1 LEU A 31 8.636 9.641 0.495 1.00 0.00 C ATOM 439 CD2 LEU A 31 9.833 7.985 1.939 1.00 0.00 C ATOM 0 H LEU A 31 9.755 10.656 4.467 1.00 0.00 H new ATOM 0 HA LEU A 31 10.862 12.478 2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.896 10.631 1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.250 9.925 2.608 1.00 0.00 H new ATOM 0 HG LEU A 31 8.592 9.580 2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.823 8.925 0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.235 10.654 0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.357 9.506 -0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.003 7.292 1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.584 7.809 1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.277 7.829 2.922 1.00 0.00 H new ATOM 451 N LEU A 32 7.690 11.823 2.876 1.00 0.00 N ATOM 452 CA LEU A 32 6.342 12.225 2.494 1.00 0.00 C ATOM 453 C LEU A 32 6.071 13.673 2.893 1.00 0.00 C ATOM 454 O LEU A 32 5.632 14.482 2.076 1.00 0.00 O ATOM 455 CB LEU A 32 5.309 11.304 3.147 1.00 0.00 C ATOM 456 CG LEU A 32 5.132 9.930 2.499 1.00 0.00 C ATOM 457 CD1 LEU A 32 4.053 9.136 3.220 1.00 0.00 C ATOM 458 CD2 LEU A 32 4.791 10.077 1.024 1.00 0.00 C ATOM 0 H LEU A 32 7.734 11.220 3.698 1.00 0.00 H new ATOM 0 HA LEU A 32 6.260 12.144 1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.589 11.158 4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.345 11.812 3.144 1.00 0.00 H new ATOM 0 HG LEU A 32 6.073 9.386 2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.940 8.161 2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.337 9.001 4.264 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.108 9.676 3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.669 9.090 0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.863 10.640 0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.596 10.607 0.515 1.00 0.00 H new ATOM 470 N LYS A 33 6.340 13.993 4.155 1.00 0.00 N ATOM 471 CA LYS A 33 6.130 15.344 4.663 1.00 0.00 C ATOM 472 C LYS A 33 6.510 16.385 3.614 1.00 0.00 C ATOM 473 O LYS A 33 5.803 17.374 3.424 1.00 0.00 O ATOM 474 CB LYS A 33 6.949 15.564 5.937 1.00 0.00 C ATOM 475 CG LYS A 33 8.450 15.492 5.715 1.00 0.00 C ATOM 476 CD LYS A 33 9.217 15.748 7.002 1.00 0.00 C ATOM 477 CE LYS A 33 10.620 16.263 6.722 1.00 0.00 C ATOM 478 NZ LYS A 33 10.635 17.732 6.483 1.00 0.00 N ATOM 0 H LYS A 33 6.704 13.335 4.844 1.00 0.00 H new ATOM 0 HA LYS A 33 5.071 15.458 4.895 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.698 16.538 6.356 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.663 14.816 6.676 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.714 14.510 5.322 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.743 16.225 4.964 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.677 16.473 7.610 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.275 14.827 7.581 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.269 16.026 7.565 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.028 15.749 5.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 11.610 18.043 6.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.036 17.956 5.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.270 18.224 7.323 1.00 0.00 H new ATOM 492 N SER A 34 7.630 16.154 2.937 1.00 0.00 N ATOM 493 CA SER A 34 8.106 17.073 1.910 1.00 0.00 C ATOM 494 C SER A 34 7.219 17.008 0.670 1.00 0.00 C ATOM 495 O SER A 34 6.963 18.022 0.021 1.00 0.00 O ATOM 496 CB SER A 34 9.552 16.747 1.533 1.00 0.00 C ATOM 497 OG SER A 34 10.211 17.887 1.007 1.00 0.00 O ATOM 0 H SER A 34 8.225 15.338 3.081 1.00 0.00 H new ATOM 0 HA SER A 34 8.063 18.084 2.315 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.088 16.386 2.411 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.567 15.943 0.798 1.00 0.00 H new ATOM 0 HG SER A 34 11.134 17.653 0.775 1.00 0.00 H new ATOM 503 N HIS A 35 6.752 15.805 0.347 1.00 0.00 N ATOM 504 CA HIS A 35 5.893 15.606 -0.815 1.00 0.00 C ATOM 505 C HIS A 35 4.596 16.397 -0.673 1.00 0.00 C ATOM 506 O HIS A 35 4.389 17.096 0.317 1.00 0.00 O ATOM 507 CB HIS A 35 5.581 14.120 -0.994 1.00 0.00 C ATOM 508 CG HIS A 35 6.565 13.402 -1.866 1.00 0.00 C ATOM 509 ND1 HIS A 35 6.867 13.805 -3.150 1.00 0.00 N ATOM 510 CD2 HIS A 35 7.319 12.304 -1.631 1.00 0.00 C ATOM 511 CE1 HIS A 35 7.762 12.983 -3.667 1.00 0.00 C ATOM 512 NE2 HIS A 35 8.054 12.063 -2.765 1.00 0.00 N ATOM 0 H HIS A 35 6.954 14.955 0.873 1.00 0.00 H new ATOM 0 HA HIS A 35 6.423 15.968 -1.696 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.559 13.641 -0.015 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.584 14.016 -1.423 1.00 0.00 H new ATOM 0 HD1 HIS A 35 6.462 14.612 -3.626 1.00 0.00 H new ATOM 0 HD2 HIS A 35 7.339 11.724 -0.720 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.184 13.051 -4.659 1.00 0.00 H new ATOM 521 N ALA A 36 3.727 16.282 -1.673 1.00 0.00 N ATOM 522 CA ALA A 36 2.450 16.985 -1.659 1.00 0.00 C ATOM 523 C ALA A 36 1.374 16.156 -0.966 1.00 0.00 C ATOM 524 O ALA A 36 1.652 15.084 -0.429 1.00 0.00 O ATOM 525 CB ALA A 36 2.023 17.330 -3.078 1.00 0.00 C ATOM 0 H ALA A 36 3.884 15.709 -2.502 1.00 0.00 H new ATOM 0 HA ALA A 36 2.578 17.909 -1.095 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.068 17.855 -3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.776 17.969 -3.539 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.919 16.414 -3.659 1.00 0.00 H new ATOM 531 N SER A 37 0.144 16.659 -0.982 1.00 0.00 N ATOM 532 CA SER A 37 -0.973 15.967 -0.351 1.00 0.00 C ATOM 533 C SER A 37 -1.559 14.916 -1.289 1.00 0.00 C ATOM 534 O SER A 37 -2.688 14.462 -1.103 1.00 0.00 O ATOM 535 CB SER A 37 -2.057 16.967 0.053 1.00 0.00 C ATOM 536 OG SER A 37 -2.588 17.631 -1.081 1.00 0.00 O ATOM 0 H SER A 37 -0.104 17.544 -1.425 1.00 0.00 H new ATOM 0 HA SER A 37 -0.601 15.466 0.542 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.856 16.448 0.581 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.641 17.699 0.745 1.00 0.00 H new ATOM 0 HG SER A 37 -3.280 18.263 -0.795 1.00 0.00 H new ATOM 542 N GLY A 38 -0.784 14.533 -2.299 1.00 0.00 N ATOM 543 CA GLY A 38 -1.242 13.538 -3.251 1.00 0.00 C ATOM 544 C GLY A 38 -0.261 12.394 -3.412 1.00 0.00 C ATOM 545 O GLY A 38 -0.512 11.451 -4.163 1.00 0.00 O ATOM 0 H GLY A 38 0.153 14.894 -2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.204 13.144 -2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.403 14.013 -4.219 1.00 0.00 H new ATOM 549 N THR A 39 0.863 12.476 -2.706 1.00 0.00 N ATOM 550 CA THR A 39 1.887 11.441 -2.776 1.00 0.00 C ATOM 551 C THR A 39 1.476 10.207 -1.981 1.00 0.00 C ATOM 552 O THR A 39 1.148 10.299 -0.798 1.00 0.00 O ATOM 553 CB THR A 39 3.239 11.953 -2.245 1.00 0.00 C ATOM 554 OG1 THR A 39 3.837 12.839 -3.199 1.00 0.00 O ATOM 555 CG2 THR A 39 4.183 10.794 -1.962 1.00 0.00 C ATOM 0 H THR A 39 1.087 13.249 -2.079 1.00 0.00 H new ATOM 0 HA THR A 39 1.995 11.173 -3.827 1.00 0.00 H new ATOM 0 HB THR A 39 3.058 12.490 -1.314 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.623 12.409 -3.596 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.131 11.180 -1.588 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.739 10.137 -1.214 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.356 10.233 -2.881 1.00 0.00 H new ATOM 563 N TYR A 40 1.498 9.052 -2.637 1.00 0.00 N ATOM 564 CA TYR A 40 1.126 7.799 -1.992 1.00 0.00 C ATOM 565 C TYR A 40 2.224 6.753 -2.158 1.00 0.00 C ATOM 566 O TYR A 40 3.135 6.917 -2.971 1.00 0.00 O ATOM 567 CB TYR A 40 -0.187 7.273 -2.573 1.00 0.00 C ATOM 568 CG TYR A 40 -0.046 6.697 -3.964 1.00 0.00 C ATOM 569 CD1 TYR A 40 0.137 7.525 -5.064 1.00 0.00 C ATOM 570 CD2 TYR A 40 -0.097 5.325 -4.177 1.00 0.00 C ATOM 571 CE1 TYR A 40 0.266 7.003 -6.337 1.00 0.00 C ATOM 572 CE2 TYR A 40 0.032 4.795 -5.446 1.00 0.00 C ATOM 573 CZ TYR A 40 0.213 5.638 -6.523 1.00 0.00 C ATOM 574 OH TYR A 40 0.342 5.114 -7.789 1.00 0.00 O ATOM 0 H TYR A 40 1.770 8.958 -3.616 1.00 0.00 H new ATOM 0 HA TYR A 40 0.993 7.993 -0.928 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.586 6.506 -1.910 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.915 8.084 -2.597 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.179 8.595 -4.922 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.240 4.662 -3.337 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.408 7.661 -7.182 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -0.009 3.726 -5.594 1.00 0.00 H new ATOM 0 HH TYR A 40 0.990 4.379 -7.774 1.00 0.00 H new ATOM 584 N LEU A 41 2.132 5.679 -1.383 1.00 0.00 N ATOM 585 CA LEU A 41 3.116 4.604 -1.444 1.00 0.00 C ATOM 586 C LEU A 41 2.604 3.356 -0.733 1.00 0.00 C ATOM 587 O LEU A 41 1.708 3.432 0.109 1.00 0.00 O ATOM 588 CB LEU A 41 4.435 5.058 -0.815 1.00 0.00 C ATOM 589 CG LEU A 41 4.552 4.881 0.699 1.00 0.00 C ATOM 590 CD1 LEU A 41 5.080 3.495 1.035 1.00 0.00 C ATOM 591 CD2 LEU A 41 5.452 5.955 1.294 1.00 0.00 C ATOM 0 H LEU A 41 1.386 5.529 -0.704 1.00 0.00 H new ATOM 0 HA LEU A 41 3.285 4.358 -2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.249 4.509 -1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.583 6.112 -1.050 1.00 0.00 H new ATOM 0 HG LEU A 41 3.559 4.985 1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.157 3.387 2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.398 2.741 0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.065 3.362 0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.524 5.813 2.372 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.446 5.883 0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.032 6.939 1.084 1.00 0.00 H new ATOM 603 N ILE A 42 3.178 2.208 -1.077 1.00 0.00 N ATOM 604 CA ILE A 42 2.782 0.944 -0.469 1.00 0.00 C ATOM 605 C ILE A 42 3.969 0.257 0.196 1.00 0.00 C ATOM 606 O ILE A 42 4.877 -0.229 -0.480 1.00 0.00 O ATOM 607 CB ILE A 42 2.167 -0.012 -1.508 1.00 0.00 C ATOM 608 CG1 ILE A 42 0.749 0.437 -1.870 1.00 0.00 C ATOM 609 CG2 ILE A 42 2.157 -1.438 -0.976 1.00 0.00 C ATOM 610 CD1 ILE A 42 0.699 1.396 -3.038 1.00 0.00 C ATOM 0 H ILE A 42 3.919 2.127 -1.774 1.00 0.00 H new ATOM 0 HA ILE A 42 2.032 1.179 0.286 1.00 0.00 H new ATOM 0 HB ILE A 42 2.778 0.014 -2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.147 -0.441 -2.105 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.294 0.912 -1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.719 -2.102 -1.722 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.178 -1.754 -0.764 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.566 -1.481 -0.061 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.336 1.672 -3.238 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.273 2.291 -2.799 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.124 0.917 -3.920 1.00 0.00 H new ATOM 622 N ARG A 43 3.957 0.218 1.524 1.00 0.00 N ATOM 623 CA ARG A 43 5.033 -0.410 2.282 1.00 0.00 C ATOM 624 C ARG A 43 4.575 -1.738 2.877 1.00 0.00 C ATOM 625 O ARG A 43 3.396 -2.082 2.817 1.00 0.00 O ATOM 626 CB ARG A 43 5.513 0.522 3.395 1.00 0.00 C ATOM 627 CG ARG A 43 4.401 0.989 4.320 1.00 0.00 C ATOM 628 CD ARG A 43 4.897 2.045 5.296 1.00 0.00 C ATOM 629 NE ARG A 43 5.424 1.453 6.522 1.00 0.00 N ATOM 630 CZ ARG A 43 4.658 0.978 7.498 1.00 0.00 C ATOM 631 NH1 ARG A 43 3.337 1.026 7.391 1.00 0.00 N ATOM 632 NH2 ARG A 43 5.213 0.454 8.583 1.00 0.00 N ATOM 0 H ARG A 43 3.213 0.614 2.098 1.00 0.00 H new ATOM 0 HA ARG A 43 5.860 -0.604 1.599 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.273 0.009 3.984 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.991 1.393 2.947 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.580 1.395 3.729 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.004 0.138 4.873 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.674 2.643 4.819 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.080 2.723 5.543 1.00 0.00 H new ATOM 0 HE ARG A 43 6.436 1.401 6.636 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.907 1.428 6.558 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.751 0.661 8.142 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.229 0.416 8.668 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.624 0.090 9.332 1.00 0.00 H new ATOM 646 N GLU A 44 5.518 -2.479 3.450 1.00 0.00 N ATOM 647 CA GLU A 44 5.210 -3.770 4.055 1.00 0.00 C ATOM 648 C GLU A 44 5.119 -3.651 5.575 1.00 0.00 C ATOM 649 O GLU A 44 5.779 -2.808 6.182 1.00 0.00 O ATOM 650 CB GLU A 44 6.274 -4.803 3.677 1.00 0.00 C ATOM 651 CG GLU A 44 6.108 -6.137 4.385 1.00 0.00 C ATOM 652 CD GLU A 44 6.613 -6.105 5.815 1.00 0.00 C ATOM 653 OE1 GLU A 44 7.259 -5.107 6.194 1.00 0.00 O ATOM 654 OE2 GLU A 44 6.363 -7.081 6.553 1.00 0.00 O ATOM 0 H GLU A 44 6.500 -2.208 3.508 1.00 0.00 H new ATOM 0 HA GLU A 44 4.243 -4.099 3.674 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.242 -4.967 2.600 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.259 -4.399 3.909 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.055 -6.417 4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.645 -6.907 3.831 1.00 0.00 H new ATOM 661 N ARG A 45 4.295 -4.501 6.179 1.00 0.00 N ATOM 662 CA ARG A 45 4.115 -4.491 7.627 1.00 0.00 C ATOM 663 C ARG A 45 4.406 -5.866 8.220 1.00 0.00 C ATOM 664 O ARG A 45 4.001 -6.898 7.685 1.00 0.00 O ATOM 665 CB ARG A 45 2.691 -4.059 7.981 1.00 0.00 C ATOM 666 CG ARG A 45 2.592 -3.313 9.302 1.00 0.00 C ATOM 667 CD ARG A 45 1.385 -2.389 9.330 1.00 0.00 C ATOM 668 NE ARG A 45 1.010 -2.019 10.693 1.00 0.00 N ATOM 669 CZ ARG A 45 0.124 -1.073 10.979 1.00 0.00 C ATOM 670 NH1 ARG A 45 -0.475 -0.403 10.005 1.00 0.00 N ATOM 671 NH2 ARG A 45 -0.165 -0.794 12.244 1.00 0.00 N ATOM 0 H ARG A 45 3.742 -5.205 5.690 1.00 0.00 H new ATOM 0 HA ARG A 45 4.820 -3.776 8.052 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.305 -3.423 7.184 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.052 -4.941 8.023 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.523 -4.029 10.121 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.500 -2.732 9.462 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.605 -1.488 8.757 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.542 -2.879 8.842 1.00 0.00 H new ATOM 0 HE ARG A 45 1.453 -2.515 11.467 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.256 -0.614 9.031 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.155 0.323 10.229 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.294 -1.307 12.997 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -0.846 -0.067 12.463 1.00 0.00 H new ATOM 685 N PRO A 46 5.123 -5.882 9.353 1.00 0.00 N ATOM 686 CA PRO A 46 5.483 -7.123 10.044 1.00 0.00 C ATOM 687 C PRO A 46 4.277 -7.802 10.684 1.00 0.00 C ATOM 688 O PRO A 46 3.761 -7.342 11.702 1.00 0.00 O ATOM 689 CB PRO A 46 6.467 -6.658 11.121 1.00 0.00 C ATOM 690 CG PRO A 46 6.112 -5.232 11.367 1.00 0.00 C ATOM 691 CD PRO A 46 5.637 -4.689 10.047 1.00 0.00 C ATOM 0 HA PRO A 46 5.897 -7.864 9.360 1.00 0.00 H new ATOM 0 HB2 PRO A 46 6.370 -7.253 12.029 1.00 0.00 H new ATOM 0 HB3 PRO A 46 7.499 -6.757 10.784 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.334 -5.149 12.126 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.974 -4.673 11.732 1.00 0.00 H new ATOM 0 HD2 PRO A 46 4.861 -3.935 10.178 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.448 -4.218 9.491 1.00 0.00 H new ATOM 699 N ALA A 47 3.832 -8.899 10.080 1.00 0.00 N ATOM 700 CA ALA A 47 2.687 -9.642 10.592 1.00 0.00 C ATOM 701 C ALA A 47 2.467 -10.927 9.799 1.00 0.00 C ATOM 702 O ALA A 47 2.877 -11.030 8.644 1.00 0.00 O ATOM 703 CB ALA A 47 1.438 -8.777 10.557 1.00 0.00 C ATOM 0 H ALA A 47 4.247 -9.293 9.236 1.00 0.00 H new ATOM 0 HA ALA A 47 2.896 -9.916 11.626 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.591 -9.345 10.942 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.591 -7.891 11.173 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.234 -8.473 9.530 1.00 0.00 H new ATOM 709 N GLU A 48 1.818 -11.901 10.428 1.00 0.00 N ATOM 710 CA GLU A 48 1.545 -13.178 9.779 1.00 0.00 C ATOM 711 C GLU A 48 0.906 -12.969 8.410 1.00 0.00 C ATOM 712 O GLU A 48 1.500 -13.286 7.380 1.00 0.00 O ATOM 713 CB GLU A 48 0.629 -14.035 10.656 1.00 0.00 C ATOM 714 CG GLU A 48 0.778 -15.528 10.415 1.00 0.00 C ATOM 715 CD GLU A 48 -0.222 -16.349 11.206 1.00 0.00 C ATOM 716 OE1 GLU A 48 -1.439 -16.146 11.013 1.00 0.00 O ATOM 717 OE2 GLU A 48 0.212 -17.194 12.017 1.00 0.00 O ATOM 0 H GLU A 48 1.472 -11.831 11.385 1.00 0.00 H new ATOM 0 HA GLU A 48 2.494 -13.696 9.641 1.00 0.00 H new ATOM 0 HB2 GLU A 48 0.840 -13.822 11.704 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.407 -13.748 10.474 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.653 -15.735 9.352 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.789 -15.836 10.683 1.00 0.00 H new ATOM 724 N ALA A 49 -0.310 -12.431 8.408 1.00 0.00 N ATOM 725 CA ALA A 49 -1.030 -12.176 7.166 1.00 0.00 C ATOM 726 C ALA A 49 -0.839 -10.734 6.706 1.00 0.00 C ATOM 727 O ALA A 49 -0.568 -10.479 5.534 1.00 0.00 O ATOM 728 CB ALA A 49 -2.509 -12.484 7.341 1.00 0.00 C ATOM 0 H ALA A 49 -0.817 -12.164 9.252 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.622 -12.832 6.397 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -3.034 -12.289 6.406 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -2.633 -13.532 7.615 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -2.922 -11.852 8.128 1.00 0.00 H new ATOM 734 N GLU A 50 -0.983 -9.797 7.638 1.00 0.00 N ATOM 735 CA GLU A 50 -0.827 -8.381 7.326 1.00 0.00 C ATOM 736 C GLU A 50 0.610 -8.068 6.918 1.00 0.00 C ATOM 737 O GLU A 50 1.410 -7.605 7.731 1.00 0.00 O ATOM 738 CB GLU A 50 -1.225 -7.524 8.530 1.00 0.00 C ATOM 739 CG GLU A 50 -1.340 -6.043 8.211 1.00 0.00 C ATOM 740 CD GLU A 50 -1.489 -5.188 9.454 1.00 0.00 C ATOM 741 OE1 GLU A 50 -2.601 -5.162 10.025 1.00 0.00 O ATOM 742 OE2 GLU A 50 -0.497 -4.547 9.858 1.00 0.00 O ATOM 0 H GLU A 50 -1.207 -9.992 8.614 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.483 -8.146 6.488 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.180 -7.879 8.918 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.489 -7.660 9.322 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -0.456 -5.724 7.659 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -2.198 -5.881 7.558 1.00 0.00 H new ATOM 749 N ARG A 51 0.930 -8.327 5.654 1.00 0.00 N ATOM 750 CA ARG A 51 2.269 -8.074 5.139 1.00 0.00 C ATOM 751 C ARG A 51 2.250 -6.965 4.091 1.00 0.00 C ATOM 752 O ARG A 51 3.091 -6.930 3.193 1.00 0.00 O ATOM 753 CB ARG A 51 2.854 -9.352 4.532 1.00 0.00 C ATOM 754 CG ARG A 51 3.594 -10.219 5.537 1.00 0.00 C ATOM 755 CD ARG A 51 5.066 -9.844 5.621 1.00 0.00 C ATOM 756 NE ARG A 51 5.786 -10.667 6.589 1.00 0.00 N ATOM 757 CZ ARG A 51 6.194 -11.906 6.341 1.00 0.00 C ATOM 758 NH1 ARG A 51 5.953 -12.464 5.162 1.00 0.00 N ATOM 759 NH2 ARG A 51 6.844 -12.592 7.273 1.00 0.00 N ATOM 0 H ARG A 51 0.280 -8.712 4.969 1.00 0.00 H new ATOM 0 HA ARG A 51 2.896 -7.753 5.971 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.048 -9.935 4.086 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.536 -9.082 3.726 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.134 -10.112 6.519 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.500 -11.267 5.253 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.525 -9.955 4.639 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.157 -8.794 5.899 1.00 0.00 H new ATOM 0 HE ARG A 51 5.986 -10.268 7.506 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.453 -11.941 4.443 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.268 -13.416 4.974 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.031 -12.168 8.181 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.157 -13.544 7.081 1.00 0.00 H new ATOM 773 N PHE A 52 1.284 -6.060 4.213 1.00 0.00 N ATOM 774 CA PHE A 52 1.152 -4.950 3.278 1.00 0.00 C ATOM 775 C PHE A 52 0.554 -3.727 3.965 1.00 0.00 C ATOM 776 O PHE A 52 -0.278 -3.851 4.863 1.00 0.00 O ATOM 777 CB PHE A 52 0.281 -5.359 2.088 1.00 0.00 C ATOM 778 CG PHE A 52 1.048 -6.034 0.987 1.00 0.00 C ATOM 779 CD1 PHE A 52 2.224 -5.483 0.505 1.00 0.00 C ATOM 780 CD2 PHE A 52 0.592 -7.220 0.434 1.00 0.00 C ATOM 781 CE1 PHE A 52 2.932 -6.102 -0.509 1.00 0.00 C ATOM 782 CE2 PHE A 52 1.296 -7.844 -0.579 1.00 0.00 C ATOM 783 CZ PHE A 52 2.466 -7.284 -1.051 1.00 0.00 C ATOM 0 H PHE A 52 0.581 -6.074 4.952 1.00 0.00 H new ATOM 0 HA PHE A 52 2.148 -4.691 2.918 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.504 -6.030 2.437 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.211 -4.473 1.687 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.592 -4.559 0.926 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.324 -7.662 0.798 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.847 -5.662 -0.876 1.00 0.00 H new ATOM 0 HE2 PHE A 52 0.931 -8.769 -1.001 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.017 -7.769 -1.843 1.00 0.00 H new ATOM 793 N ALA A 53 0.984 -2.545 3.536 1.00 0.00 N ATOM 794 CA ALA A 53 0.491 -1.299 4.109 1.00 0.00 C ATOM 795 C ALA A 53 0.545 -0.167 3.088 1.00 0.00 C ATOM 796 O ALA A 53 1.497 -0.059 2.316 1.00 0.00 O ATOM 797 CB ALA A 53 1.295 -0.932 5.348 1.00 0.00 C ATOM 0 H ALA A 53 1.673 -2.424 2.793 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.550 -1.447 4.396 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.915 0.001 5.765 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.203 -1.725 6.090 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.344 -0.808 5.078 1.00 0.00 H new ATOM 803 N ILE A 54 -0.485 0.674 3.089 1.00 0.00 N ATOM 804 CA ILE A 54 -0.555 1.797 2.163 1.00 0.00 C ATOM 805 C ILE A 54 -0.472 3.127 2.905 1.00 0.00 C ATOM 806 O ILE A 54 -1.283 3.409 3.788 1.00 0.00 O ATOM 807 CB ILE A 54 -1.851 1.764 1.334 1.00 0.00 C ATOM 808 CG1 ILE A 54 -2.051 0.380 0.713 1.00 0.00 C ATOM 809 CG2 ILE A 54 -1.817 2.836 0.254 1.00 0.00 C ATOM 810 CD1 ILE A 54 -3.443 0.159 0.164 1.00 0.00 C ATOM 0 H ILE A 54 -1.282 0.598 3.721 1.00 0.00 H new ATOM 0 HA ILE A 54 0.298 1.705 1.491 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.693 1.969 1.995 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.327 0.243 -0.090 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.841 -0.380 1.465 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.741 2.800 -0.324 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.718 3.817 0.718 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.968 2.660 -0.407 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.512 -0.843 -0.260 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -4.172 0.264 0.968 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.650 0.897 -0.611 1.00 0.00 H new ATOM 822 N SER A 55 0.512 3.942 2.540 1.00 0.00 N ATOM 823 CA SER A 55 0.702 5.243 3.172 1.00 0.00 C ATOM 824 C SER A 55 0.561 6.368 2.152 1.00 0.00 C ATOM 825 O SER A 55 1.222 6.366 1.114 1.00 0.00 O ATOM 826 CB SER A 55 2.078 5.313 3.839 1.00 0.00 C ATOM 827 OG SER A 55 2.356 6.625 4.296 1.00 0.00 O ATOM 0 H SER A 55 1.190 3.725 1.810 1.00 0.00 H new ATOM 0 HA SER A 55 -0.069 5.367 3.932 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.115 4.617 4.677 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.845 5.001 3.131 1.00 0.00 H new ATOM 0 HG SER A 55 1.563 6.992 4.739 1.00 0.00 H new ATOM 833 N ILE A 56 -0.307 7.328 2.457 1.00 0.00 N ATOM 834 CA ILE A 56 -0.535 8.460 1.567 1.00 0.00 C ATOM 835 C ILE A 56 -0.584 9.769 2.348 1.00 0.00 C ATOM 836 O ILE A 56 -1.103 9.822 3.464 1.00 0.00 O ATOM 837 CB ILE A 56 -1.845 8.298 0.774 1.00 0.00 C ATOM 838 CG1 ILE A 56 -2.082 6.826 0.433 1.00 0.00 C ATOM 839 CG2 ILE A 56 -1.806 9.142 -0.491 1.00 0.00 C ATOM 840 CD1 ILE A 56 -2.689 6.032 1.568 1.00 0.00 C ATOM 0 H ILE A 56 -0.863 7.344 3.312 1.00 0.00 H new ATOM 0 HA ILE A 56 0.301 8.487 0.868 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.672 8.645 1.393 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.739 6.764 -0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.134 6.370 0.148 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.739 9.017 -1.041 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.680 10.191 -0.225 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.971 8.823 -1.115 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.829 4.997 1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.023 6.063 2.431 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.653 6.463 1.838 1.00 0.00 H new ATOM 852 N LYS A 57 -0.043 10.827 1.752 1.00 0.00 N ATOM 853 CA LYS A 57 -0.027 12.139 2.389 1.00 0.00 C ATOM 854 C LYS A 57 -1.372 12.840 2.222 1.00 0.00 C ATOM 855 O LYS A 57 -1.746 13.234 1.117 1.00 0.00 O ATOM 856 CB LYS A 57 1.087 13.004 1.794 1.00 0.00 C ATOM 857 CG LYS A 57 1.265 14.336 2.500 1.00 0.00 C ATOM 858 CD LYS A 57 1.788 14.153 3.915 1.00 0.00 C ATOM 859 CE LYS A 57 1.715 15.449 4.708 1.00 0.00 C ATOM 860 NZ LYS A 57 2.558 16.517 4.104 1.00 0.00 N ATOM 0 H LYS A 57 0.390 10.801 0.829 1.00 0.00 H new ATOM 0 HA LYS A 57 0.160 11.997 3.453 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.026 12.452 1.836 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.871 13.186 0.741 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.957 14.959 1.933 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.312 14.863 2.529 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.208 13.382 4.422 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.820 13.804 3.880 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.680 15.787 4.756 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.039 15.267 5.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.856 17.184 4.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.398 16.089 3.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.010 17.025 3.381 1.00 0.00 H new ATOM 874 N PHE A 58 -2.094 12.994 3.327 1.00 0.00 N ATOM 875 CA PHE A 58 -3.397 13.649 3.304 1.00 0.00 C ATOM 876 C PHE A 58 -3.700 14.308 4.647 1.00 0.00 C ATOM 877 O PHE A 58 -3.403 13.751 5.703 1.00 0.00 O ATOM 878 CB PHE A 58 -4.493 12.638 2.960 1.00 0.00 C ATOM 879 CG PHE A 58 -5.881 13.205 3.055 1.00 0.00 C ATOM 880 CD1 PHE A 58 -6.476 13.805 1.957 1.00 0.00 C ATOM 881 CD2 PHE A 58 -6.592 13.137 4.243 1.00 0.00 C ATOM 882 CE1 PHE A 58 -7.753 14.325 2.040 1.00 0.00 C ATOM 883 CE2 PHE A 58 -7.869 13.656 4.332 1.00 0.00 C ATOM 884 CZ PHE A 58 -8.450 14.252 3.230 1.00 0.00 C ATOM 0 H PHE A 58 -1.799 12.674 4.250 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.373 14.424 2.538 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.329 12.266 1.949 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.411 11.783 3.631 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.935 13.867 1.025 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.143 12.673 5.109 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.206 14.788 1.176 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -8.413 13.596 5.263 1.00 0.00 H new ATOM 0 HZ PHE A 58 -9.448 14.660 3.299 1.00 0.00 H new ATOM 894 N ASN A 59 -4.291 15.497 4.596 1.00 0.00 N ATOM 895 CA ASN A 59 -4.633 16.232 5.808 1.00 0.00 C ATOM 896 C ASN A 59 -3.382 16.799 6.472 1.00 0.00 C ATOM 897 O ASN A 59 -3.302 16.886 7.698 1.00 0.00 O ATOM 898 CB ASN A 59 -5.377 15.323 6.789 1.00 0.00 C ATOM 899 CG ASN A 59 -6.297 16.098 7.712 1.00 0.00 C ATOM 900 OD1 ASN A 59 -5.984 16.313 8.883 1.00 0.00 O ATOM 901 ND2 ASN A 59 -7.441 16.521 7.187 1.00 0.00 N ATOM 0 H ASN A 59 -4.543 15.972 3.729 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.282 17.062 5.528 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.960 14.591 6.231 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.653 14.767 7.385 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.101 17.047 7.760 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.659 16.320 6.211 1.00 0.00 H new ATOM 908 N ASP A 60 -2.408 17.183 5.654 1.00 0.00 N ATOM 909 CA ASP A 60 -1.161 17.744 6.161 1.00 0.00 C ATOM 910 C ASP A 60 -0.486 16.779 7.132 1.00 0.00 C ATOM 911 O ASP A 60 0.273 17.195 8.007 1.00 0.00 O ATOM 912 CB ASP A 60 -1.422 19.083 6.852 1.00 0.00 C ATOM 913 CG ASP A 60 -2.386 19.957 6.075 1.00 0.00 C ATOM 914 OD1 ASP A 60 -2.129 20.207 4.879 1.00 0.00 O ATOM 915 OD2 ASP A 60 -3.400 20.392 6.662 1.00 0.00 O ATOM 0 H ASP A 60 -2.458 17.116 4.637 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.494 17.906 5.314 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.823 18.902 7.849 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.478 19.613 6.980 1.00 0.00 H new ATOM 920 N GLU A 61 -0.770 15.491 6.971 1.00 0.00 N ATOM 921 CA GLU A 61 -0.193 14.468 7.836 1.00 0.00 C ATOM 922 C GLU A 61 -0.064 13.140 7.096 1.00 0.00 C ATOM 923 O GLU A 61 -0.856 12.833 6.205 1.00 0.00 O ATOM 924 CB GLU A 61 -1.051 14.285 9.089 1.00 0.00 C ATOM 925 CG GLU A 61 -0.657 15.201 10.236 1.00 0.00 C ATOM 926 CD GLU A 61 0.750 14.939 10.737 1.00 0.00 C ATOM 927 OE1 GLU A 61 0.912 14.081 11.628 1.00 0.00 O ATOM 928 OE2 GLU A 61 1.689 15.592 10.235 1.00 0.00 O ATOM 0 H GLU A 61 -1.396 15.131 6.250 1.00 0.00 H new ATOM 0 HA GLU A 61 0.803 14.798 8.132 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.095 14.465 8.834 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.978 13.249 9.421 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.735 16.238 9.910 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.361 15.071 11.058 1.00 0.00 H new ATOM 935 N VAL A 62 0.942 12.356 7.472 1.00 0.00 N ATOM 936 CA VAL A 62 1.177 11.060 6.845 1.00 0.00 C ATOM 937 C VAL A 62 0.261 9.992 7.432 1.00 0.00 C ATOM 938 O VAL A 62 0.327 9.689 8.623 1.00 0.00 O ATOM 939 CB VAL A 62 2.641 10.613 7.011 1.00 0.00 C ATOM 940 CG1 VAL A 62 2.811 9.167 6.572 1.00 0.00 C ATOM 941 CG2 VAL A 62 3.569 11.530 6.229 1.00 0.00 C ATOM 0 H VAL A 62 1.607 12.596 8.207 1.00 0.00 H new ATOM 0 HA VAL A 62 0.960 11.178 5.783 1.00 0.00 H new ATOM 0 HB VAL A 62 2.906 10.680 8.066 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.852 8.869 6.697 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.174 8.525 7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.529 9.069 5.524 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.600 11.200 6.357 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.307 11.497 5.172 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.467 12.551 6.597 1.00 0.00 H new ATOM 951 N LYS A 63 -0.594 9.424 6.588 1.00 0.00 N ATOM 952 CA LYS A 63 -1.523 8.387 7.021 1.00 0.00 C ATOM 953 C LYS A 63 -1.107 7.023 6.480 1.00 0.00 C ATOM 954 O LYS A 63 -0.446 6.930 5.445 1.00 0.00 O ATOM 955 CB LYS A 63 -2.944 8.720 6.557 1.00 0.00 C ATOM 956 CG LYS A 63 -3.231 10.211 6.500 1.00 0.00 C ATOM 957 CD LYS A 63 -3.230 10.832 7.887 1.00 0.00 C ATOM 958 CE LYS A 63 -4.626 10.846 8.491 1.00 0.00 C ATOM 959 NZ LYS A 63 -4.587 10.763 9.978 1.00 0.00 N ATOM 0 H LYS A 63 -0.663 9.665 5.599 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.503 8.348 8.110 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.105 8.289 5.569 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.658 8.246 7.231 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.482 10.703 5.879 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.198 10.379 6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.557 10.273 8.537 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.846 11.851 7.831 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.142 11.758 8.191 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.202 10.009 8.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.557 10.775 10.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.117 9.881 10.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.060 11.575 10.357 1.00 0.00 H new ATOM 973 N HIS A 64 -1.500 5.967 7.186 1.00 0.00 N ATOM 974 CA HIS A 64 -1.169 4.608 6.775 1.00 0.00 C ATOM 975 C HIS A 64 -2.404 3.712 6.817 1.00 0.00 C ATOM 976 O HIS A 64 -3.313 3.929 7.619 1.00 0.00 O ATOM 977 CB HIS A 64 -0.076 4.032 7.674 1.00 0.00 C ATOM 978 CG HIS A 64 1.191 4.832 7.665 1.00 0.00 C ATOM 979 ND1 HIS A 64 2.315 4.453 6.963 1.00 0.00 N ATOM 980 CD2 HIS A 64 1.506 5.997 8.277 1.00 0.00 C ATOM 981 CE1 HIS A 64 3.268 5.350 7.144 1.00 0.00 C ATOM 982 NE2 HIS A 64 2.802 6.298 7.938 1.00 0.00 N ATOM 0 H HIS A 64 -2.048 6.027 8.045 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.802 4.644 5.749 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.451 3.973 8.696 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.145 3.013 7.356 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.858 6.581 8.914 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.259 5.315 6.716 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.321 7.120 8.248 1.00 0.00 H new ATOM 991 N ILE A 65 -2.429 2.706 5.949 1.00 0.00 N ATOM 992 CA ILE A 65 -3.551 1.778 5.889 1.00 0.00 C ATOM 993 C ILE A 65 -3.066 0.333 5.822 1.00 0.00 C ATOM 994 O ILE A 65 -2.500 -0.098 4.818 1.00 0.00 O ATOM 995 CB ILE A 65 -4.451 2.062 4.671 1.00 0.00 C ATOM 996 CG1 ILE A 65 -4.756 3.558 4.573 1.00 0.00 C ATOM 997 CG2 ILE A 65 -5.739 1.258 4.766 1.00 0.00 C ATOM 998 CD1 ILE A 65 -5.294 3.978 3.223 1.00 0.00 C ATOM 0 H ILE A 65 -1.685 2.513 5.278 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.130 1.923 6.801 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.922 1.758 3.768 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.481 3.824 5.343 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.846 4.121 4.784 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.365 1.469 3.899 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.503 0.194 4.793 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.274 1.534 5.675 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.488 5.051 3.226 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.562 3.744 2.451 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.221 3.443 3.018 1.00 0.00 H new ATOM 1010 N LYS A 66 -3.297 -0.411 6.899 1.00 0.00 N ATOM 1011 CA LYS A 66 -2.888 -1.809 6.964 1.00 0.00 C ATOM 1012 C LYS A 66 -3.677 -2.654 5.970 1.00 0.00 C ATOM 1013 O LYS A 66 -4.853 -2.391 5.712 1.00 0.00 O ATOM 1014 CB LYS A 66 -3.082 -2.353 8.381 1.00 0.00 C ATOM 1015 CG LYS A 66 -4.497 -2.189 8.907 1.00 0.00 C ATOM 1016 CD LYS A 66 -5.362 -3.390 8.567 1.00 0.00 C ATOM 1017 CE LYS A 66 -6.530 -3.528 9.532 1.00 0.00 C ATOM 1018 NZ LYS A 66 -7.288 -4.789 9.310 1.00 0.00 N ATOM 0 H LYS A 66 -3.765 -0.069 7.738 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.831 -1.865 6.702 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.819 -3.411 8.394 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.392 -1.844 9.054 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.471 -2.053 9.988 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.941 -1.288 8.483 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.739 -3.291 7.549 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -4.756 -4.296 8.596 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.159 -3.503 10.557 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.200 -2.676 9.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.075 -4.845 9.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.664 -4.802 8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.655 -5.603 9.447 1.00 0.00 H new ATOM 1032 N VAL A 67 -3.026 -3.672 5.415 1.00 0.00 N ATOM 1033 CA VAL A 67 -3.669 -4.557 4.452 1.00 0.00 C ATOM 1034 C VAL A 67 -3.705 -5.993 4.963 1.00 0.00 C ATOM 1035 O VAL A 67 -2.729 -6.486 5.530 1.00 0.00 O ATOM 1036 CB VAL A 67 -2.946 -4.526 3.092 1.00 0.00 C ATOM 1037 CG1 VAL A 67 -3.680 -5.390 2.078 1.00 0.00 C ATOM 1038 CG2 VAL A 67 -2.815 -3.096 2.592 1.00 0.00 C ATOM 0 H VAL A 67 -2.053 -3.904 5.616 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.689 -4.195 4.322 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.944 -4.934 3.222 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.155 -5.356 1.123 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.717 -6.419 2.436 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.695 -5.015 1.947 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.302 -3.092 1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.807 -2.659 2.476 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.242 -2.510 3.311 1.00 0.00 H new ATOM 1048 N VAL A 68 -4.837 -6.660 4.760 1.00 0.00 N ATOM 1049 CA VAL A 68 -4.999 -8.041 5.199 1.00 0.00 C ATOM 1050 C VAL A 68 -4.931 -9.005 4.020 1.00 0.00 C ATOM 1051 O VAL A 68 -5.463 -8.724 2.947 1.00 0.00 O ATOM 1052 CB VAL A 68 -6.337 -8.241 5.936 1.00 0.00 C ATOM 1053 CG1 VAL A 68 -6.533 -9.706 6.299 1.00 0.00 C ATOM 1054 CG2 VAL A 68 -6.399 -7.363 7.177 1.00 0.00 C ATOM 0 H VAL A 68 -5.655 -6.266 4.295 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.179 -8.254 5.885 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.147 -7.945 5.269 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.483 -9.828 6.819 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.536 -10.309 5.391 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.720 -10.032 6.948 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.351 -7.517 7.685 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.582 -7.625 7.849 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.308 -6.316 6.887 1.00 0.00 H new ATOM 1064 N GLU A 69 -4.275 -10.141 4.228 1.00 0.00 N ATOM 1065 CA GLU A 69 -4.138 -11.146 3.181 1.00 0.00 C ATOM 1066 C GLU A 69 -4.521 -12.529 3.701 1.00 0.00 C ATOM 1067 O GLU A 69 -3.747 -13.175 4.407 1.00 0.00 O ATOM 1068 CB GLU A 69 -2.703 -11.168 2.648 1.00 0.00 C ATOM 1069 CG GLU A 69 -2.603 -11.581 1.189 1.00 0.00 C ATOM 1070 CD GLU A 69 -1.286 -12.261 0.865 1.00 0.00 C ATOM 1071 OE1 GLU A 69 -1.154 -13.468 1.154 1.00 0.00 O ATOM 1072 OE2 GLU A 69 -0.388 -11.584 0.323 1.00 0.00 O ATOM 0 H GLU A 69 -3.830 -10.389 5.112 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.815 -10.882 2.369 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.265 -10.177 2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.110 -11.854 3.253 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.425 -12.256 0.949 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.718 -10.700 0.557 1.00 0.00 H new ATOM 1079 N LYS A 70 -5.721 -12.977 3.345 1.00 0.00 N ATOM 1080 CA LYS A 70 -6.207 -14.283 3.774 1.00 0.00 C ATOM 1081 C LYS A 70 -7.062 -14.928 2.687 1.00 0.00 C ATOM 1082 O LYS A 70 -7.716 -14.237 1.907 1.00 0.00 O ATOM 1083 CB LYS A 70 -7.019 -14.148 5.064 1.00 0.00 C ATOM 1084 CG LYS A 70 -7.092 -15.431 5.874 1.00 0.00 C ATOM 1085 CD LYS A 70 -8.249 -15.405 6.858 1.00 0.00 C ATOM 1086 CE LYS A 70 -7.828 -14.819 8.197 1.00 0.00 C ATOM 1087 NZ LYS A 70 -7.233 -15.850 9.092 1.00 0.00 N ATOM 0 H LYS A 70 -6.374 -12.455 2.761 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.344 -14.922 3.960 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.579 -13.364 5.680 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -8.031 -13.827 4.815 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.205 -16.281 5.201 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -6.157 -15.574 6.415 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.068 -14.817 6.443 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.626 -16.417 7.005 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.105 -14.020 8.032 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.693 -14.370 8.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.959 -15.411 9.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.931 -16.600 9.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.392 -16.261 8.638 1.00 0.00 H new ATOM 1101 N ASP A 71 -7.054 -16.256 2.645 1.00 0.00 N ATOM 1102 CA ASP A 71 -7.830 -16.994 1.656 1.00 0.00 C ATOM 1103 C ASP A 71 -7.449 -16.572 0.241 1.00 0.00 C ATOM 1104 O ASP A 71 -8.269 -16.624 -0.675 1.00 0.00 O ATOM 1105 CB ASP A 71 -9.327 -16.772 1.882 1.00 0.00 C ATOM 1106 CG ASP A 71 -9.917 -17.762 2.867 1.00 0.00 C ATOM 1107 OD1 ASP A 71 -9.398 -18.895 2.951 1.00 0.00 O ATOM 1108 OD2 ASP A 71 -10.897 -17.405 3.552 1.00 0.00 O ATOM 0 H ASP A 71 -6.519 -16.843 3.285 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.606 -18.054 1.772 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -9.490 -15.758 2.249 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -9.851 -16.855 0.930 1.00 0.00 H new ATOM 1113 N ASN A 72 -6.199 -16.154 0.070 1.00 0.00 N ATOM 1114 CA ASN A 72 -5.709 -15.721 -1.234 1.00 0.00 C ATOM 1115 C ASN A 72 -6.426 -14.455 -1.692 1.00 0.00 C ATOM 1116 O ASN A 72 -6.632 -14.243 -2.887 1.00 0.00 O ATOM 1117 CB ASN A 72 -5.903 -16.832 -2.268 1.00 0.00 C ATOM 1118 CG ASN A 72 -4.909 -16.738 -3.411 1.00 0.00 C ATOM 1119 OD1 ASN A 72 -3.719 -16.507 -3.195 1.00 0.00 O ATOM 1120 ND2 ASN A 72 -5.394 -16.918 -4.633 1.00 0.00 N ATOM 0 H ASN A 72 -5.507 -16.106 0.818 1.00 0.00 H new ATOM 0 HA ASN A 72 -4.646 -15.501 -1.140 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -5.801 -17.801 -1.780 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -6.916 -16.781 -2.666 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.773 -16.867 -5.441 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.388 -17.107 -4.765 1.00 0.00 H new ATOM 1127 N TRP A 73 -6.801 -13.616 -0.733 1.00 0.00 N ATOM 1128 CA TRP A 73 -7.494 -12.369 -1.037 1.00 0.00 C ATOM 1129 C TRP A 73 -6.814 -11.188 -0.354 1.00 0.00 C ATOM 1130 O TRP A 73 -6.162 -11.347 0.679 1.00 0.00 O ATOM 1131 CB TRP A 73 -8.957 -12.454 -0.600 1.00 0.00 C ATOM 1132 CG TRP A 73 -9.619 -13.741 -0.989 1.00 0.00 C ATOM 1133 CD1 TRP A 73 -10.226 -14.636 -0.154 1.00 0.00 C ATOM 1134 CD2 TRP A 73 -9.739 -14.277 -2.311 1.00 0.00 C ATOM 1135 NE1 TRP A 73 -10.716 -15.696 -0.878 1.00 0.00 N ATOM 1136 CE2 TRP A 73 -10.431 -15.500 -2.204 1.00 0.00 C ATOM 1137 CE3 TRP A 73 -9.331 -13.844 -3.575 1.00 0.00 C ATOM 1138 CZ2 TRP A 73 -10.721 -16.290 -3.313 1.00 0.00 C ATOM 1139 CZ3 TRP A 73 -9.620 -14.629 -4.674 1.00 0.00 C ATOM 1140 CH2 TRP A 73 -10.309 -15.841 -4.537 1.00 0.00 C ATOM 0 H TRP A 73 -6.637 -13.776 0.261 1.00 0.00 H new ATOM 0 HA TRP A 73 -7.453 -12.214 -2.115 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.013 -12.338 0.482 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -9.509 -11.623 -1.039 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.309 -14.526 0.917 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -11.212 -16.499 -0.491 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -8.799 -12.911 -3.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -11.253 -17.224 -3.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.310 -14.303 -5.656 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -10.519 -16.433 -5.416 1.00 0.00 H new ATOM 1151 N ILE A 74 -6.971 -10.002 -0.934 1.00 0.00 N ATOM 1152 CA ILE A 74 -6.372 -8.795 -0.380 1.00 0.00 C ATOM 1153 C ILE A 74 -7.423 -7.710 -0.165 1.00 0.00 C ATOM 1154 O ILE A 74 -8.136 -7.329 -1.094 1.00 0.00 O ATOM 1155 CB ILE A 74 -5.262 -8.246 -1.294 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -3.933 -8.940 -0.991 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -5.131 -6.740 -1.121 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -3.004 -9.013 -2.184 1.00 0.00 C ATOM 0 H ILE A 74 -7.508 -9.852 -1.788 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.936 -9.071 0.580 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.530 -8.451 -2.331 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.431 -8.409 -0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.133 -9.950 -0.634 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.342 -6.366 -1.774 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -6.075 -6.260 -1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.882 -6.513 -0.084 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.081 -9.517 -1.896 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.487 -9.570 -2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.774 -8.005 -2.528 1.00 0.00 H new ATOM 1170 N HIS A 75 -7.511 -7.215 1.065 1.00 0.00 N ATOM 1171 CA HIS A 75 -8.473 -6.171 1.401 1.00 0.00 C ATOM 1172 C HIS A 75 -7.995 -5.356 2.600 1.00 0.00 C ATOM 1173 O HIS A 75 -6.932 -5.626 3.161 1.00 0.00 O ATOM 1174 CB HIS A 75 -9.840 -6.786 1.702 1.00 0.00 C ATOM 1175 CG HIS A 75 -9.917 -7.454 3.041 1.00 0.00 C ATOM 1176 ND1 HIS A 75 -10.205 -8.793 3.197 1.00 0.00 N ATOM 1177 CD2 HIS A 75 -9.738 -6.960 4.287 1.00 0.00 C ATOM 1178 CE1 HIS A 75 -10.202 -9.093 4.484 1.00 0.00 C ATOM 1179 NE2 HIS A 75 -9.920 -7.999 5.167 1.00 0.00 N ATOM 0 H HIS A 75 -6.929 -7.519 1.845 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.562 -5.505 0.543 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -10.599 -6.006 1.651 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -10.079 -7.515 0.928 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -9.497 -5.939 4.543 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.397 -10.068 4.906 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -9.849 -7.936 6.183 1.00 0.00 H new ATOM 1188 N ILE A 76 -8.784 -4.360 2.986 1.00 0.00 N ATOM 1189 CA ILE A 76 -8.440 -3.507 4.117 1.00 0.00 C ATOM 1190 C ILE A 76 -9.666 -3.211 4.975 1.00 0.00 C ATOM 1191 O ILE A 76 -10.795 -3.201 4.482 1.00 0.00 O ATOM 1192 CB ILE A 76 -7.820 -2.177 3.651 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -8.847 -1.356 2.868 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -6.584 -2.437 2.802 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -8.637 0.137 2.977 1.00 0.00 C ATOM 0 H ILE A 76 -9.666 -4.123 2.532 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.706 -4.052 4.711 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.520 -1.606 4.530 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.806 -1.645 1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.846 -1.601 3.227 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.157 -1.487 2.480 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.848 -2.985 3.390 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.861 -3.025 1.927 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.401 0.655 2.397 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.707 0.439 4.022 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.651 0.395 2.590 1.00 0.00 H new ATOM 1207 N THR A 77 -9.436 -2.969 6.261 1.00 0.00 N ATOM 1208 CA THR A 77 -10.521 -2.671 7.188 1.00 0.00 C ATOM 1209 C THR A 77 -11.808 -3.373 6.772 1.00 0.00 C ATOM 1210 O THR A 77 -12.899 -2.821 6.908 1.00 0.00 O ATOM 1211 CB THR A 77 -10.783 -1.156 7.279 1.00 0.00 C ATOM 1212 OG1 THR A 77 -11.601 -0.867 8.417 1.00 0.00 O ATOM 1213 CG2 THR A 77 -11.464 -0.648 6.017 1.00 0.00 C ATOM 0 H THR A 77 -8.508 -2.973 6.685 1.00 0.00 H new ATOM 0 HA THR A 77 -10.210 -3.038 8.166 1.00 0.00 H new ATOM 0 HB THR A 77 -9.823 -0.650 7.385 1.00 0.00 H new ATOM 0 HG1 THR A 77 -12.417 -1.408 8.379 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.639 0.424 6.104 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.825 -0.842 5.155 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.416 -1.161 5.886 1.00 0.00 H new ATOM 1221 N GLU A 78 -11.673 -4.596 6.266 1.00 0.00 N ATOM 1222 CA GLU A 78 -12.827 -5.373 5.830 1.00 0.00 C ATOM 1223 C GLU A 78 -13.867 -4.476 5.165 1.00 0.00 C ATOM 1224 O GLU A 78 -15.051 -4.532 5.493 1.00 0.00 O ATOM 1225 CB GLU A 78 -13.454 -6.106 7.017 1.00 0.00 C ATOM 1226 CG GLU A 78 -14.131 -7.413 6.638 1.00 0.00 C ATOM 1227 CD GLU A 78 -15.033 -7.942 7.736 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -14.523 -8.643 8.635 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -16.248 -7.657 7.696 1.00 0.00 O ATOM 0 H GLU A 78 -10.777 -5.069 6.148 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.484 -6.106 5.100 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -12.680 -6.309 7.757 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.186 -5.452 7.491 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -14.717 -7.265 5.731 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.370 -8.159 6.407 1.00 0.00 H new ATOM 1236 N ALA A 79 -13.415 -3.651 4.226 1.00 0.00 N ATOM 1237 CA ALA A 79 -14.305 -2.743 3.514 1.00 0.00 C ATOM 1238 C ALA A 79 -14.611 -3.261 2.113 1.00 0.00 C ATOM 1239 O ALA A 79 -15.769 -3.329 1.703 1.00 0.00 O ATOM 1240 CB ALA A 79 -13.695 -1.351 3.443 1.00 0.00 C ATOM 0 H ALA A 79 -12.437 -3.593 3.941 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.243 -2.688 4.066 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.371 -0.684 2.908 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.535 -0.972 4.452 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.741 -1.398 2.917 1.00 0.00 H new ATOM 1246 N LYS A 80 -13.562 -3.626 1.381 1.00 0.00 N ATOM 1247 CA LYS A 80 -13.717 -4.139 0.025 1.00 0.00 C ATOM 1248 C LYS A 80 -12.559 -5.060 -0.344 1.00 0.00 C ATOM 1249 O LYS A 80 -11.396 -4.747 -0.085 1.00 0.00 O ATOM 1250 CB LYS A 80 -13.800 -2.982 -0.974 1.00 0.00 C ATOM 1251 CG LYS A 80 -13.738 -3.426 -2.425 1.00 0.00 C ATOM 1252 CD LYS A 80 -15.125 -3.689 -2.987 1.00 0.00 C ATOM 1253 CE LYS A 80 -15.694 -2.454 -3.671 1.00 0.00 C ATOM 1254 NZ LYS A 80 -16.498 -1.622 -2.734 1.00 0.00 N ATOM 0 H LYS A 80 -12.596 -3.576 1.705 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.642 -4.713 -0.015 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.729 -2.437 -0.809 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.983 -2.286 -0.780 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.243 -2.659 -3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.135 -4.330 -2.504 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.080 -4.512 -3.700 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.792 -4.000 -2.183 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.879 -1.857 -4.079 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -16.317 -2.759 -4.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -17.057 -0.932 -3.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.137 -2.234 -2.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.862 -1.118 -2.084 1.00 0.00 H new ATOM 1268 N LYS A 81 -12.883 -6.198 -0.950 1.00 0.00 N ATOM 1269 CA LYS A 81 -11.870 -7.163 -1.357 1.00 0.00 C ATOM 1270 C LYS A 81 -11.489 -6.969 -2.821 1.00 0.00 C ATOM 1271 O LYS A 81 -12.221 -6.338 -3.585 1.00 0.00 O ATOM 1272 CB LYS A 81 -12.379 -8.590 -1.137 1.00 0.00 C ATOM 1273 CG LYS A 81 -13.551 -8.962 -2.029 1.00 0.00 C ATOM 1274 CD LYS A 81 -14.345 -10.122 -1.451 1.00 0.00 C ATOM 1275 CE LYS A 81 -15.212 -9.677 -0.283 1.00 0.00 C ATOM 1276 NZ LYS A 81 -16.472 -9.029 -0.741 1.00 0.00 N ATOM 0 H LYS A 81 -13.840 -6.474 -1.170 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.983 -7.000 -0.745 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -11.562 -9.290 -1.314 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.676 -8.704 -0.094 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -14.204 -8.098 -2.152 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.185 -9.229 -3.020 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.974 -10.556 -2.228 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -13.661 -10.904 -1.121 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -15.453 -10.539 0.339 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -14.651 -8.980 0.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -17.034 -8.741 0.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -16.243 -8.192 -1.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -17.020 -9.702 -1.315 1.00 0.00 H new ATOM 1290 N PHE A 82 -10.341 -7.515 -3.207 1.00 0.00 N ATOM 1291 CA PHE A 82 -9.863 -7.400 -4.580 1.00 0.00 C ATOM 1292 C PHE A 82 -9.052 -8.631 -4.978 1.00 0.00 C ATOM 1293 O PHE A 82 -8.532 -9.347 -4.123 1.00 0.00 O ATOM 1294 CB PHE A 82 -9.012 -6.140 -4.744 1.00 0.00 C ATOM 1295 CG PHE A 82 -9.823 -4.882 -4.875 1.00 0.00 C ATOM 1296 CD1 PHE A 82 -10.609 -4.663 -5.994 1.00 0.00 C ATOM 1297 CD2 PHE A 82 -9.798 -3.920 -3.880 1.00 0.00 C ATOM 1298 CE1 PHE A 82 -11.355 -3.506 -6.118 1.00 0.00 C ATOM 1299 CE2 PHE A 82 -10.543 -2.760 -3.998 1.00 0.00 C ATOM 1300 CZ PHE A 82 -11.323 -2.555 -5.118 1.00 0.00 C ATOM 0 H PHE A 82 -9.724 -8.042 -2.588 1.00 0.00 H new ATOM 0 HA PHE A 82 -10.731 -7.330 -5.235 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.347 -6.046 -3.886 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.381 -6.250 -5.626 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.639 -5.405 -6.779 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -9.190 -4.077 -3.001 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.962 -3.346 -6.997 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -10.514 -2.016 -3.215 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.908 -1.652 -5.212 1.00 0.00 H new ATOM 1310 N ASP A 83 -8.949 -8.868 -6.281 1.00 0.00 N ATOM 1311 CA ASP A 83 -8.202 -10.011 -6.793 1.00 0.00 C ATOM 1312 C ASP A 83 -6.785 -10.031 -6.227 1.00 0.00 C ATOM 1313 O ASP A 83 -6.199 -11.096 -6.035 1.00 0.00 O ATOM 1314 CB ASP A 83 -8.153 -9.971 -8.322 1.00 0.00 C ATOM 1315 CG ASP A 83 -7.374 -11.133 -8.906 1.00 0.00 C ATOM 1316 OD1 ASP A 83 -7.962 -12.225 -9.061 1.00 0.00 O ATOM 1317 OD2 ASP A 83 -6.177 -10.952 -9.210 1.00 0.00 O ATOM 0 H ASP A 83 -9.373 -8.284 -7.002 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.714 -10.920 -6.477 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.169 -9.984 -8.716 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.698 -9.034 -8.644 1.00 0.00 H new ATOM 1322 N SER A 84 -6.242 -8.847 -5.964 1.00 0.00 N ATOM 1323 CA SER A 84 -4.892 -8.729 -5.424 1.00 0.00 C ATOM 1324 C SER A 84 -4.595 -7.289 -5.015 1.00 0.00 C ATOM 1325 O SER A 84 -5.454 -6.413 -5.116 1.00 0.00 O ATOM 1326 CB SER A 84 -3.864 -9.200 -6.455 1.00 0.00 C ATOM 1327 OG SER A 84 -2.702 -9.706 -5.823 1.00 0.00 O ATOM 0 H SER A 84 -6.715 -7.956 -6.116 1.00 0.00 H new ATOM 0 HA SER A 84 -4.825 -9.362 -4.539 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.304 -9.973 -7.085 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.594 -8.371 -7.109 1.00 0.00 H new ATOM 0 HG SER A 84 -1.952 -9.094 -5.978 1.00 0.00 H new ATOM 1333 N LEU A 85 -3.371 -7.053 -4.554 1.00 0.00 N ATOM 1334 CA LEU A 85 -2.958 -5.720 -4.128 1.00 0.00 C ATOM 1335 C LEU A 85 -2.949 -4.751 -5.307 1.00 0.00 C ATOM 1336 O LEU A 85 -3.149 -3.547 -5.136 1.00 0.00 O ATOM 1337 CB LEU A 85 -1.570 -5.774 -3.489 1.00 0.00 C ATOM 1338 CG LEU A 85 -0.998 -4.439 -3.012 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -1.828 -3.881 -1.867 1.00 0.00 C ATOM 1340 CD2 LEU A 85 0.455 -4.602 -2.590 1.00 0.00 C ATOM 0 H LEU A 85 -2.648 -7.767 -4.466 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.677 -5.362 -3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.610 -6.454 -2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.877 -6.207 -4.210 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.038 -3.732 -3.840 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.406 -2.931 -1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.853 -3.726 -2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.821 -4.586 -1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.846 -3.642 -2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.519 -5.325 -1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.042 -4.956 -3.437 1.00 0.00 H new ATOM 1352 N LEU A 86 -2.719 -5.283 -6.502 1.00 0.00 N ATOM 1353 CA LEU A 86 -2.688 -4.466 -7.709 1.00 0.00 C ATOM 1354 C LEU A 86 -4.055 -3.852 -7.988 1.00 0.00 C ATOM 1355 O LEU A 86 -4.170 -2.650 -8.225 1.00 0.00 O ATOM 1356 CB LEU A 86 -2.240 -5.308 -8.907 1.00 0.00 C ATOM 1357 CG LEU A 86 -2.111 -4.566 -10.238 1.00 0.00 C ATOM 1358 CD1 LEU A 86 -1.061 -3.471 -10.139 1.00 0.00 C ATOM 1359 CD2 LEU A 86 -1.768 -5.537 -11.358 1.00 0.00 C ATOM 0 H LEU A 86 -2.551 -6.277 -6.661 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.974 -3.658 -7.552 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.276 -5.757 -8.670 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.949 -6.125 -9.037 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.070 -4.101 -10.468 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.983 -2.954 -11.095 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.349 -2.760 -9.365 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.097 -3.913 -9.886 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.680 -4.992 -12.298 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.822 -6.030 -11.135 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.556 -6.285 -11.445 1.00 0.00 H new ATOM 1371 N GLU A 87 -5.090 -4.686 -7.957 1.00 0.00 N ATOM 1372 CA GLU A 87 -6.451 -4.223 -8.205 1.00 0.00 C ATOM 1373 C GLU A 87 -6.878 -3.202 -7.155 1.00 0.00 C ATOM 1374 O GLU A 87 -7.497 -2.186 -7.477 1.00 0.00 O ATOM 1375 CB GLU A 87 -7.423 -5.406 -8.206 1.00 0.00 C ATOM 1376 CG GLU A 87 -7.546 -6.091 -9.557 1.00 0.00 C ATOM 1377 CD GLU A 87 -8.611 -5.461 -10.434 1.00 0.00 C ATOM 1378 OE1 GLU A 87 -9.778 -5.901 -10.357 1.00 0.00 O ATOM 1379 OE2 GLU A 87 -8.279 -4.531 -11.197 1.00 0.00 O ATOM 0 H GLU A 87 -5.012 -5.684 -7.763 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.472 -3.743 -9.183 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.094 -6.136 -7.466 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.407 -5.057 -7.894 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.586 -6.049 -10.071 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.781 -7.145 -9.406 1.00 0.00 H new ATOM 1386 N LEU A 88 -6.544 -3.477 -5.900 1.00 0.00 N ATOM 1387 CA LEU A 88 -6.894 -2.583 -4.801 1.00 0.00 C ATOM 1388 C LEU A 88 -6.320 -1.188 -5.032 1.00 0.00 C ATOM 1389 O LEU A 88 -6.974 -0.183 -4.755 1.00 0.00 O ATOM 1390 CB LEU A 88 -6.378 -3.146 -3.476 1.00 0.00 C ATOM 1391 CG LEU A 88 -6.684 -2.315 -2.229 1.00 0.00 C ATOM 1392 CD1 LEU A 88 -6.819 -3.213 -1.009 1.00 0.00 C ATOM 1393 CD2 LEU A 88 -5.601 -1.269 -2.006 1.00 0.00 C ATOM 0 H LEU A 88 -6.031 -4.312 -5.617 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.980 -2.507 -4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.801 -4.141 -3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.297 -3.267 -3.552 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.632 -1.800 -2.383 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.037 -2.604 -0.131 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.630 -3.923 -1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.887 -3.756 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.835 -0.687 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.639 -1.764 -1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.552 -0.606 -2.870 1.00 0.00 H new ATOM 1405 N VAL A 89 -5.093 -1.135 -5.542 1.00 0.00 N ATOM 1406 CA VAL A 89 -4.433 0.136 -5.813 1.00 0.00 C ATOM 1407 C VAL A 89 -5.048 0.828 -7.023 1.00 0.00 C ATOM 1408 O VAL A 89 -5.347 2.021 -6.983 1.00 0.00 O ATOM 1409 CB VAL A 89 -2.924 -0.057 -6.057 1.00 0.00 C ATOM 1410 CG1 VAL A 89 -2.324 1.185 -6.698 1.00 0.00 C ATOM 1411 CG2 VAL A 89 -2.212 -0.392 -4.755 1.00 0.00 C ATOM 0 H VAL A 89 -4.537 -1.957 -5.775 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.574 0.761 -4.931 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.789 -0.893 -6.744 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.258 1.030 -6.863 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.815 1.375 -7.652 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.469 2.041 -6.039 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.147 -0.525 -4.946 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.354 0.421 -4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.624 -1.313 -4.341 1.00 0.00 H new ATOM 1421 N GLU A 90 -5.235 0.071 -8.100 1.00 0.00 N ATOM 1422 CA GLU A 90 -5.816 0.612 -9.323 1.00 0.00 C ATOM 1423 C GLU A 90 -7.214 1.164 -9.063 1.00 0.00 C ATOM 1424 O GLU A 90 -7.704 2.017 -9.804 1.00 0.00 O ATOM 1425 CB GLU A 90 -5.874 -0.466 -10.407 1.00 0.00 C ATOM 1426 CG GLU A 90 -4.512 -0.851 -10.958 1.00 0.00 C ATOM 1427 CD GLU A 90 -4.595 -1.490 -12.329 1.00 0.00 C ATOM 1428 OE1 GLU A 90 -5.132 -0.842 -13.253 1.00 0.00 O ATOM 1429 OE2 GLU A 90 -4.125 -2.636 -12.481 1.00 0.00 O ATOM 0 H GLU A 90 -4.993 -0.918 -8.150 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.180 1.428 -9.667 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.355 -1.354 -9.998 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.501 -0.112 -11.226 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.883 0.037 -11.013 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.028 -1.542 -10.268 1.00 0.00 H new ATOM 1436 N TYR A 91 -7.852 0.673 -8.007 1.00 0.00 N ATOM 1437 CA TYR A 91 -9.195 1.113 -7.651 1.00 0.00 C ATOM 1438 C TYR A 91 -9.162 2.497 -7.007 1.00 0.00 C ATOM 1439 O TYR A 91 -9.903 3.396 -7.401 1.00 0.00 O ATOM 1440 CB TYR A 91 -9.848 0.111 -6.698 1.00 0.00 C ATOM 1441 CG TYR A 91 -11.356 0.203 -6.662 1.00 0.00 C ATOM 1442 CD1 TYR A 91 -12.121 -0.181 -7.757 1.00 0.00 C ATOM 1443 CD2 TYR A 91 -12.017 0.674 -5.534 1.00 0.00 C ATOM 1444 CE1 TYR A 91 -13.500 -0.098 -7.730 1.00 0.00 C ATOM 1445 CE2 TYR A 91 -13.396 0.760 -5.498 1.00 0.00 C ATOM 1446 CZ TYR A 91 -14.132 0.372 -6.598 1.00 0.00 C ATOM 1447 OH TYR A 91 -15.506 0.457 -6.566 1.00 0.00 O ATOM 0 H TYR A 91 -7.460 -0.031 -7.382 1.00 0.00 H new ATOM 0 HA TYR A 91 -9.785 1.171 -8.566 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.561 -0.898 -6.993 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.459 0.272 -5.693 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.629 -0.551 -8.644 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -11.443 0.978 -4.671 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -14.079 -0.399 -8.590 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -13.894 1.129 -4.614 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.792 0.806 -5.696 1.00 0.00 H new ATOM 1457 N TYR A 92 -8.294 2.657 -6.013 1.00 0.00 N ATOM 1458 CA TYR A 92 -8.164 3.929 -5.312 1.00 0.00 C ATOM 1459 C TYR A 92 -7.424 4.951 -6.170 1.00 0.00 C ATOM 1460 O TYR A 92 -7.548 6.157 -5.962 1.00 0.00 O ATOM 1461 CB TYR A 92 -7.427 3.731 -3.986 1.00 0.00 C ATOM 1462 CG TYR A 92 -8.090 2.728 -3.069 1.00 0.00 C ATOM 1463 CD1 TYR A 92 -9.468 2.725 -2.891 1.00 0.00 C ATOM 1464 CD2 TYR A 92 -7.338 1.783 -2.381 1.00 0.00 C ATOM 1465 CE1 TYR A 92 -10.078 1.812 -2.053 1.00 0.00 C ATOM 1466 CE2 TYR A 92 -7.939 0.865 -1.542 1.00 0.00 C ATOM 1467 CZ TYR A 92 -9.309 0.884 -1.381 1.00 0.00 C ATOM 1468 OH TYR A 92 -9.913 -0.029 -0.547 1.00 0.00 O ATOM 0 H TYR A 92 -7.671 1.923 -5.675 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.166 4.308 -5.111 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.408 3.404 -4.192 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.357 4.690 -3.472 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.073 3.449 -3.417 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.265 1.766 -2.505 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.150 1.824 -1.925 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.340 0.137 -1.015 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.232 -0.612 -0.152 1.00 0.00 H new ATOM 1478 N GLN A 93 -6.655 4.457 -7.135 1.00 0.00 N ATOM 1479 CA GLN A 93 -5.894 5.326 -8.025 1.00 0.00 C ATOM 1480 C GLN A 93 -6.806 6.342 -8.705 1.00 0.00 C ATOM 1481 O GLN A 93 -6.361 7.415 -9.116 1.00 0.00 O ATOM 1482 CB GLN A 93 -5.161 4.496 -9.080 1.00 0.00 C ATOM 1483 CG GLN A 93 -3.765 4.069 -8.655 1.00 0.00 C ATOM 1484 CD GLN A 93 -2.817 3.921 -9.830 1.00 0.00 C ATOM 1485 OE1 GLN A 93 -2.965 4.596 -10.850 1.00 0.00 O ATOM 1486 NE2 GLN A 93 -1.838 3.035 -9.693 1.00 0.00 N ATOM 0 H GLN A 93 -6.542 3.460 -7.320 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.162 5.866 -7.425 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.751 3.608 -9.306 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.091 5.074 -10.001 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.361 4.803 -7.957 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -3.826 3.121 -8.121 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.753 2.498 -8.830 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.170 2.892 -10.451 1.00 0.00 H new ATOM 1495 N CYS A 94 -8.084 5.997 -8.820 1.00 0.00 N ATOM 1496 CA CYS A 94 -9.060 6.878 -9.452 1.00 0.00 C ATOM 1497 C CYS A 94 -10.217 7.176 -8.504 1.00 0.00 C ATOM 1498 O CYS A 94 -10.850 8.228 -8.591 1.00 0.00 O ATOM 1499 CB CYS A 94 -9.589 6.247 -10.740 1.00 0.00 C ATOM 1500 SG CYS A 94 -8.417 6.285 -12.117 1.00 0.00 S ATOM 0 H CYS A 94 -8.468 5.114 -8.484 1.00 0.00 H new ATOM 0 HA CYS A 94 -8.562 7.817 -9.695 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -9.863 5.211 -10.539 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -10.500 6.765 -11.038 1.00 0.00 H new ATOM 0 HG CYS A 94 -8.955 5.726 -13.160 1.00 0.00 H new ATOM 1506 N HIS A 95 -10.490 6.240 -7.600 1.00 0.00 N ATOM 1507 CA HIS A 95 -11.573 6.402 -6.636 1.00 0.00 C ATOM 1508 C HIS A 95 -11.030 6.833 -5.276 1.00 0.00 C ATOM 1509 O HIS A 95 -10.042 6.286 -4.790 1.00 0.00 O ATOM 1510 CB HIS A 95 -12.357 5.097 -6.495 1.00 0.00 C ATOM 1511 CG HIS A 95 -12.437 4.306 -7.764 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -12.327 2.932 -7.803 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -12.621 4.704 -9.044 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -12.438 2.519 -9.053 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -12.617 3.575 -9.826 1.00 0.00 N ATOM 0 H HIS A 95 -9.977 5.363 -7.515 1.00 0.00 H new ATOM 0 HA HIS A 95 -12.241 7.181 -7.004 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -11.891 4.484 -5.723 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -13.367 5.325 -6.154 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -12.183 2.329 -6.993 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -12.747 5.720 -9.387 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -12.390 1.493 -9.386 1.00 0.00 H new ATOM 1524 N SER A 96 -11.684 7.818 -4.670 1.00 0.00 N ATOM 1525 CA SER A 96 -11.265 8.327 -3.369 1.00 0.00 C ATOM 1526 C SER A 96 -11.278 7.217 -2.322 1.00 0.00 C ATOM 1527 O SER A 96 -11.998 6.227 -2.459 1.00 0.00 O ATOM 1528 CB SER A 96 -12.177 9.472 -2.927 1.00 0.00 C ATOM 1529 OG SER A 96 -11.494 10.367 -2.067 1.00 0.00 O ATOM 0 H SER A 96 -12.506 8.280 -5.059 1.00 0.00 H new ATOM 0 HA SER A 96 -10.246 8.701 -3.464 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.540 10.010 -3.803 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.051 9.068 -2.416 1.00 0.00 H new ATOM 0 HG SER A 96 -12.099 11.090 -1.801 1.00 0.00 H new ATOM 1535 N LEU A 97 -10.479 7.390 -1.276 1.00 0.00 N ATOM 1536 CA LEU A 97 -10.398 6.404 -0.203 1.00 0.00 C ATOM 1537 C LEU A 97 -11.401 6.718 0.903 1.00 0.00 C ATOM 1538 O LEU A 97 -11.404 6.076 1.954 1.00 0.00 O ATOM 1539 CB LEU A 97 -8.982 6.364 0.373 1.00 0.00 C ATOM 1540 CG LEU A 97 -7.990 5.449 -0.346 1.00 0.00 C ATOM 1541 CD1 LEU A 97 -6.562 5.916 -0.107 1.00 0.00 C ATOM 1542 CD2 LEU A 97 -8.165 4.008 0.111 1.00 0.00 C ATOM 0 H LEU A 97 -9.878 8.204 -1.147 1.00 0.00 H new ATOM 0 HA LEU A 97 -10.641 5.427 -0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.580 7.377 0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.044 6.051 1.415 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.192 5.497 -1.416 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.870 5.253 -0.626 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.443 6.932 -0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.348 5.899 0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.451 3.371 -0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.991 3.943 1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -9.179 3.676 -0.113 1.00 0.00 H new ATOM 1554 N LYS A 98 -12.253 7.707 0.657 1.00 0.00 N ATOM 1555 CA LYS A 98 -13.264 8.105 1.630 1.00 0.00 C ATOM 1556 C LYS A 98 -14.206 6.946 1.941 1.00 0.00 C ATOM 1557 O LYS A 98 -14.574 6.727 3.094 1.00 0.00 O ATOM 1558 CB LYS A 98 -14.064 9.299 1.104 1.00 0.00 C ATOM 1559 CG LYS A 98 -15.184 8.912 0.154 1.00 0.00 C ATOM 1560 CD LYS A 98 -15.748 10.123 -0.567 1.00 0.00 C ATOM 1561 CE LYS A 98 -16.705 10.904 0.321 1.00 0.00 C ATOM 1562 NZ LYS A 98 -17.644 11.741 -0.476 1.00 0.00 N ATOM 0 H LYS A 98 -12.264 8.248 -0.208 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.755 8.393 2.550 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.487 9.842 1.949 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.386 9.983 0.593 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -14.811 8.194 -0.576 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.979 8.416 0.711 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -14.932 10.772 -0.884 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -16.268 9.801 -1.469 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -17.273 10.210 0.940 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.135 11.541 0.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -18.279 12.257 0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -17.103 12.420 -1.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -18.206 11.131 -1.103 1.00 0.00 H new ATOM 1576 N GLU A 99 -14.590 6.207 0.905 1.00 0.00 N ATOM 1577 CA GLU A 99 -15.488 5.071 1.069 1.00 0.00 C ATOM 1578 C GLU A 99 -15.049 4.194 2.239 1.00 0.00 C ATOM 1579 O GLU A 99 -15.869 3.761 3.046 1.00 0.00 O ATOM 1580 CB GLU A 99 -15.536 4.240 -0.215 1.00 0.00 C ATOM 1581 CG GLU A 99 -14.167 3.794 -0.703 1.00 0.00 C ATOM 1582 CD GLU A 99 -14.185 3.337 -2.149 1.00 0.00 C ATOM 1583 OE1 GLU A 99 -14.717 4.080 -2.999 1.00 0.00 O ATOM 1584 OE2 GLU A 99 -13.666 2.237 -2.429 1.00 0.00 O ATOM 0 H GLU A 99 -14.293 6.375 -0.056 1.00 0.00 H new ATOM 0 HA GLU A 99 -16.485 5.457 1.281 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -16.156 3.360 -0.045 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -16.019 4.824 -0.998 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -13.461 4.617 -0.594 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -13.808 2.980 -0.073 1.00 0.00 H new ATOM 1591 N SER A 100 -13.747 3.937 2.322 1.00 0.00 N ATOM 1592 CA SER A 100 -13.197 3.110 3.389 1.00 0.00 C ATOM 1593 C SER A 100 -13.017 3.922 4.668 1.00 0.00 C ATOM 1594 O SER A 100 -13.405 3.488 5.753 1.00 0.00 O ATOM 1595 CB SER A 100 -11.858 2.509 2.959 1.00 0.00 C ATOM 1596 OG SER A 100 -11.953 1.916 1.675 1.00 0.00 O ATOM 0 H SER A 100 -13.054 4.290 1.662 1.00 0.00 H new ATOM 0 HA SER A 100 -13.901 2.302 3.589 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.094 3.286 2.948 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.542 1.761 3.686 1.00 0.00 H new ATOM 0 HG SER A 100 -11.056 1.684 1.355 1.00 0.00 H new ATOM 1602 N PHE A 101 -12.423 5.104 4.532 1.00 0.00 N ATOM 1603 CA PHE A 101 -12.189 5.977 5.675 1.00 0.00 C ATOM 1604 C PHE A 101 -12.769 7.367 5.426 1.00 0.00 C ATOM 1605 O PHE A 101 -12.208 8.160 4.670 1.00 0.00 O ATOM 1606 CB PHE A 101 -10.690 6.082 5.966 1.00 0.00 C ATOM 1607 CG PHE A 101 -10.060 4.773 6.345 1.00 0.00 C ATOM 1608 CD1 PHE A 101 -10.197 4.269 7.629 1.00 0.00 C ATOM 1609 CD2 PHE A 101 -9.331 4.045 5.418 1.00 0.00 C ATOM 1610 CE1 PHE A 101 -9.617 3.066 7.981 1.00 0.00 C ATOM 1611 CE2 PHE A 101 -8.750 2.840 5.765 1.00 0.00 C ATOM 1612 CZ PHE A 101 -8.894 2.349 7.048 1.00 0.00 C ATOM 0 H PHE A 101 -12.095 5.478 3.641 1.00 0.00 H new ATOM 0 HA PHE A 101 -12.690 5.543 6.540 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -10.184 6.478 5.086 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.534 6.798 6.773 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.764 4.823 8.362 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -9.216 4.424 4.413 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -9.729 2.686 8.986 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -8.184 2.283 5.033 1.00 0.00 H new ATOM 0 HZ PHE A 101 -8.442 1.407 7.321 1.00 0.00 H new ATOM 1622 N LYS A 102 -13.897 7.654 6.068 1.00 0.00 N ATOM 1623 CA LYS A 102 -14.554 8.946 5.918 1.00 0.00 C ATOM 1624 C LYS A 102 -13.603 10.086 6.272 1.00 0.00 C ATOM 1625 O LYS A 102 -13.802 11.225 5.853 1.00 0.00 O ATOM 1626 CB LYS A 102 -15.799 9.014 6.805 1.00 0.00 C ATOM 1627 CG LYS A 102 -15.510 8.791 8.278 1.00 0.00 C ATOM 1628 CD LYS A 102 -16.752 8.998 9.129 1.00 0.00 C ATOM 1629 CE LYS A 102 -17.670 7.786 9.079 1.00 0.00 C ATOM 1630 NZ LYS A 102 -17.222 6.711 10.007 1.00 0.00 N ATOM 0 H LYS A 102 -14.375 7.009 6.697 1.00 0.00 H new ATOM 0 HA LYS A 102 -14.851 9.055 4.875 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -16.271 9.988 6.680 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -16.517 8.266 6.467 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -15.131 7.780 8.426 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.727 9.476 8.604 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -16.459 9.192 10.161 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -17.291 9.879 8.780 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -18.685 8.089 9.337 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -17.702 7.397 8.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -17.874 5.903 9.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -16.263 6.404 9.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -17.216 7.074 10.982 1.00 0.00 H new ATOM 1644 N GLN A 103 -12.569 9.768 7.044 1.00 0.00 N ATOM 1645 CA GLN A 103 -11.587 10.765 7.454 1.00 0.00 C ATOM 1646 C GLN A 103 -10.509 10.938 6.388 1.00 0.00 C ATOM 1647 O GLN A 103 -9.813 11.953 6.352 1.00 0.00 O ATOM 1648 CB GLN A 103 -10.947 10.366 8.784 1.00 0.00 C ATOM 1649 CG GLN A 103 -11.888 10.485 9.972 1.00 0.00 C ATOM 1650 CD GLN A 103 -11.181 10.285 11.299 1.00 0.00 C ATOM 1651 OE1 GLN A 103 -10.026 10.678 11.465 1.00 0.00 O ATOM 1652 NE2 GLN A 103 -11.873 9.672 12.251 1.00 0.00 N ATOM 0 H GLN A 103 -12.390 8.828 7.398 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.104 11.716 7.580 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -10.593 9.338 8.713 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -10.073 10.993 8.959 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -12.359 11.468 9.960 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -12.685 9.748 9.875 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -12.828 9.363 12.069 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -11.450 9.510 13.165 1.00 0.00 H new ATOM 1661 N LEU A 104 -10.376 9.939 5.522 1.00 0.00 N ATOM 1662 CA LEU A 104 -9.383 9.979 4.454 1.00 0.00 C ATOM 1663 C LEU A 104 -10.054 10.091 3.090 1.00 0.00 C ATOM 1664 O LEU A 104 -10.620 9.123 2.584 1.00 0.00 O ATOM 1665 CB LEU A 104 -8.504 8.728 4.502 1.00 0.00 C ATOM 1666 CG LEU A 104 -7.078 8.888 3.973 1.00 0.00 C ATOM 1667 CD1 LEU A 104 -6.145 9.343 5.085 1.00 0.00 C ATOM 1668 CD2 LEU A 104 -6.587 7.584 3.362 1.00 0.00 C ATOM 0 H LEU A 104 -10.943 9.091 5.539 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.759 10.860 4.604 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.450 8.386 5.535 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -8.996 7.941 3.931 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.082 9.651 3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.135 9.452 4.691 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.486 10.301 5.477 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.144 8.603 5.885 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.571 7.716 2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.598 6.800 4.120 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.241 7.300 2.537 1.00 0.00 H new ATOM 1680 N ASP A 105 -9.984 11.279 2.499 1.00 0.00 N ATOM 1681 CA ASP A 105 -10.583 11.518 1.190 1.00 0.00 C ATOM 1682 C ASP A 105 -9.529 11.974 0.186 1.00 0.00 C ATOM 1683 O ASP A 105 -9.210 13.160 0.099 1.00 0.00 O ATOM 1684 CB ASP A 105 -11.691 12.566 1.296 1.00 0.00 C ATOM 1685 CG ASP A 105 -12.873 12.078 2.110 1.00 0.00 C ATOM 1686 OD1 ASP A 105 -12.677 11.196 2.973 1.00 0.00 O ATOM 1687 OD2 ASP A 105 -13.995 12.580 1.887 1.00 0.00 O ATOM 0 H ASP A 105 -9.519 12.091 2.905 1.00 0.00 H new ATOM 0 HA ASP A 105 -11.013 10.580 0.838 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -11.289 13.471 1.751 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.029 12.836 0.295 1.00 0.00 H new ATOM 1692 N THR A 106 -8.989 11.023 -0.571 1.00 0.00 N ATOM 1693 CA THR A 106 -7.969 11.327 -1.567 1.00 0.00 C ATOM 1694 C THR A 106 -7.777 10.161 -2.530 1.00 0.00 C ATOM 1695 O THR A 106 -8.288 9.063 -2.302 1.00 0.00 O ATOM 1696 CB THR A 106 -6.619 11.661 -0.905 1.00 0.00 C ATOM 1697 OG1 THR A 106 -5.717 12.201 -1.878 1.00 0.00 O ATOM 1698 CG2 THR A 106 -6.006 10.422 -0.272 1.00 0.00 C ATOM 0 H THR A 106 -9.241 10.036 -0.513 1.00 0.00 H new ATOM 0 HA THR A 106 -8.318 12.198 -2.121 1.00 0.00 H new ATOM 0 HB THR A 106 -6.795 12.400 -0.123 1.00 0.00 H new ATOM 0 HG1 THR A 106 -4.862 12.412 -1.449 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.053 10.682 0.189 1.00 0.00 H new ATOM 0 HG22 THR A 106 -6.682 10.029 0.488 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.843 9.665 -1.039 1.00 0.00 H new ATOM 1706 N THR A 107 -7.034 10.403 -3.605 1.00 0.00 N ATOM 1707 CA THR A 107 -6.774 9.372 -4.602 1.00 0.00 C ATOM 1708 C THR A 107 -5.300 9.340 -4.988 1.00 0.00 C ATOM 1709 O THR A 107 -4.698 10.377 -5.272 1.00 0.00 O ATOM 1710 CB THR A 107 -7.620 9.592 -5.871 1.00 0.00 C ATOM 1711 OG1 THR A 107 -7.479 10.943 -6.326 1.00 0.00 O ATOM 1712 CG2 THR A 107 -9.087 9.292 -5.603 1.00 0.00 C ATOM 0 H THR A 107 -6.601 11.304 -3.808 1.00 0.00 H new ATOM 0 HA THR A 107 -7.050 8.419 -4.150 1.00 0.00 H new ATOM 0 HB THR A 107 -7.262 8.910 -6.642 1.00 0.00 H new ATOM 0 HG1 THR A 107 -8.018 11.074 -7.134 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.664 9.455 -6.513 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.194 8.255 -5.286 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.456 9.952 -4.817 1.00 0.00 H new ATOM 1720 N LEU A 108 -4.722 8.144 -4.996 1.00 0.00 N ATOM 1721 CA LEU A 108 -3.315 7.976 -5.348 1.00 0.00 C ATOM 1722 C LEU A 108 -2.960 8.801 -6.580 1.00 0.00 C ATOM 1723 O LEU A 108 -3.303 8.437 -7.705 1.00 0.00 O ATOM 1724 CB LEU A 108 -3.006 6.500 -5.601 1.00 0.00 C ATOM 1725 CG LEU A 108 -3.669 5.502 -4.652 1.00 0.00 C ATOM 1726 CD1 LEU A 108 -3.097 4.107 -4.859 1.00 0.00 C ATOM 1727 CD2 LEU A 108 -3.492 5.944 -3.206 1.00 0.00 C ATOM 0 H LEU A 108 -5.205 7.276 -4.763 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.711 8.329 -4.512 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.307 6.256 -6.620 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.926 6.361 -5.545 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.736 5.471 -4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.581 3.410 -4.175 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.275 3.790 -5.886 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.025 4.121 -4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.970 5.222 -2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.429 6.004 -2.971 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.950 6.923 -3.066 1.00 0.00 H new ATOM 1739 N LYS A 109 -2.269 9.915 -6.361 1.00 0.00 N ATOM 1740 CA LYS A 109 -1.863 10.791 -7.452 1.00 0.00 C ATOM 1741 C LYS A 109 -0.450 10.458 -7.921 1.00 0.00 C ATOM 1742 O LYS A 109 -0.261 9.865 -8.984 1.00 0.00 O ATOM 1743 CB LYS A 109 -1.933 12.255 -7.012 1.00 0.00 C ATOM 1744 CG LYS A 109 -3.281 12.906 -7.275 1.00 0.00 C ATOM 1745 CD LYS A 109 -3.275 14.375 -6.889 1.00 0.00 C ATOM 1746 CE LYS A 109 -4.677 14.870 -6.564 1.00 0.00 C ATOM 1747 NZ LYS A 109 -4.817 16.334 -6.805 1.00 0.00 N ATOM 0 H LYS A 109 -1.979 10.232 -5.436 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.550 10.635 -8.284 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.711 12.316 -5.947 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.159 12.819 -7.532 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -3.534 12.807 -8.331 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -4.054 12.384 -6.712 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.626 14.523 -6.026 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -2.859 14.966 -7.705 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -5.403 14.330 -7.172 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -4.908 14.650 -5.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -5.785 16.633 -6.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -4.142 16.851 -6.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -4.622 16.541 -7.805 1.00 0.00 H new ATOM 1761 N TYR A 110 0.539 10.843 -7.122 1.00 0.00 N ATOM 1762 CA TYR A 110 1.935 10.585 -7.457 1.00 0.00 C ATOM 1763 C TYR A 110 2.558 9.598 -6.474 1.00 0.00 C ATOM 1764 O TYR A 110 2.211 9.557 -5.293 1.00 0.00 O ATOM 1765 CB TYR A 110 2.731 11.892 -7.456 1.00 0.00 C ATOM 1766 CG TYR A 110 1.999 13.047 -8.101 1.00 0.00 C ATOM 1767 CD1 TYR A 110 1.087 13.808 -7.381 1.00 0.00 C ATOM 1768 CD2 TYR A 110 2.219 13.376 -9.434 1.00 0.00 C ATOM 1769 CE1 TYR A 110 0.416 14.863 -7.967 1.00 0.00 C ATOM 1770 CE2 TYR A 110 1.554 14.431 -10.027 1.00 0.00 C ATOM 1771 CZ TYR A 110 0.652 15.171 -9.290 1.00 0.00 C ATOM 1772 OH TYR A 110 -0.014 16.222 -9.879 1.00 0.00 O ATOM 0 H TYR A 110 0.400 11.334 -6.239 1.00 0.00 H new ATOM 0 HA TYR A 110 1.968 10.147 -8.455 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.977 12.157 -6.428 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.674 11.733 -7.978 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.899 13.570 -6.344 1.00 0.00 H new ATOM 0 HD2 TYR A 110 2.921 12.797 -10.015 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.290 15.444 -7.392 1.00 0.00 H new ATOM 0 HE2 TYR A 110 1.739 14.676 -11.063 1.00 0.00 H new ATOM 0 HH TYR A 110 0.268 16.305 -10.814 1.00 0.00 H new ATOM 1782 N PRO A 111 3.498 8.783 -6.973 1.00 0.00 N ATOM 1783 CA PRO A 111 4.190 7.780 -6.157 1.00 0.00 C ATOM 1784 C PRO A 111 5.136 8.412 -5.141 1.00 0.00 C ATOM 1785 O PRO A 111 5.143 9.629 -4.958 1.00 0.00 O ATOM 1786 CB PRO A 111 4.977 6.966 -7.186 1.00 0.00 C ATOM 1787 CG PRO A 111 5.179 7.898 -8.331 1.00 0.00 C ATOM 1788 CD PRO A 111 3.959 8.777 -8.371 1.00 0.00 C ATOM 0 HA PRO A 111 3.494 7.185 -5.566 1.00 0.00 H new ATOM 0 HB2 PRO A 111 5.929 6.627 -6.778 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.427 6.076 -7.492 1.00 0.00 H new ATOM 0 HG2 PRO A 111 6.083 8.492 -8.196 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.295 7.349 -9.265 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.199 9.782 -8.720 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.199 8.379 -9.043 1.00 0.00 H new ATOM 1796 N TYR A 112 5.934 7.577 -4.485 1.00 0.00 N ATOM 1797 CA TYR A 112 6.884 8.055 -3.486 1.00 0.00 C ATOM 1798 C TYR A 112 8.248 8.322 -4.115 1.00 0.00 C ATOM 1799 O TYR A 112 8.479 8.004 -5.282 1.00 0.00 O ATOM 1800 CB TYR A 112 7.023 7.034 -2.355 1.00 0.00 C ATOM 1801 CG TYR A 112 8.130 6.030 -2.578 1.00 0.00 C ATOM 1802 CD1 TYR A 112 8.090 5.150 -3.653 1.00 0.00 C ATOM 1803 CD2 TYR A 112 9.215 5.959 -1.714 1.00 0.00 C ATOM 1804 CE1 TYR A 112 9.100 4.230 -3.861 1.00 0.00 C ATOM 1805 CE2 TYR A 112 10.230 5.043 -1.915 1.00 0.00 C ATOM 1806 CZ TYR A 112 10.167 4.181 -2.989 1.00 0.00 C ATOM 1807 OH TYR A 112 11.175 3.266 -3.192 1.00 0.00 O ATOM 0 H TYR A 112 5.942 6.567 -4.626 1.00 0.00 H new ATOM 0 HA TYR A 112 6.503 8.991 -3.078 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.207 7.563 -1.420 1.00 0.00 H new ATOM 0 HB3 TYR A 112 6.079 6.502 -2.240 1.00 0.00 H new ATOM 0 HD1 TYR A 112 7.255 5.186 -4.337 1.00 0.00 H new ATOM 0 HD2 TYR A 112 9.266 6.631 -0.870 1.00 0.00 H new ATOM 0 HE1 TYR A 112 9.054 3.553 -4.702 1.00 0.00 H new ATOM 0 HE2 TYR A 112 11.068 5.003 -1.235 1.00 0.00 H new ATOM 0 HH TYR A 112 11.263 3.083 -4.151 1.00 0.00 H new ATOM 1817 N SER A 113 9.148 8.909 -3.333 1.00 0.00 N ATOM 1818 CA SER A 113 10.489 9.222 -3.813 1.00 0.00 C ATOM 1819 C SER A 113 11.402 8.005 -3.709 1.00 0.00 C ATOM 1820 O SER A 113 11.920 7.693 -2.638 1.00 0.00 O ATOM 1821 CB SER A 113 11.080 10.386 -3.014 1.00 0.00 C ATOM 1822 OG SER A 113 12.428 10.624 -3.382 1.00 0.00 O ATOM 0 H SER A 113 8.973 9.177 -2.365 1.00 0.00 H new ATOM 0 HA SER A 113 10.415 9.510 -4.862 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.489 11.286 -3.185 1.00 0.00 H new ATOM 0 HB3 SER A 113 11.024 10.165 -1.948 1.00 0.00 H new ATOM 0 HG SER A 113 12.783 11.373 -2.859 1.00 0.00 H new ATOM 1828 N GLY A 114 11.592 7.318 -4.832 1.00 0.00 N ATOM 1829 CA GLY A 114 12.442 6.141 -4.847 1.00 0.00 C ATOM 1830 C GLY A 114 13.912 6.486 -4.717 1.00 0.00 C ATOM 1831 O GLY A 114 14.376 7.516 -5.210 1.00 0.00 O ATOM 0 H GLY A 114 11.173 7.555 -5.731 1.00 0.00 H new ATOM 0 HA2 GLY A 114 12.154 5.478 -4.031 1.00 0.00 H new ATOM 0 HA3 GLY A 114 12.281 5.592 -5.775 1.00 0.00 H new ATOM 1835 N PRO A 115 14.671 5.614 -4.038 1.00 0.00 N ATOM 1836 CA PRO A 115 16.108 5.811 -3.828 1.00 0.00 C ATOM 1837 C PRO A 115 16.910 5.655 -5.116 1.00 0.00 C ATOM 1838 O PRO A 115 16.360 5.311 -6.162 1.00 0.00 O ATOM 1839 CB PRO A 115 16.476 4.707 -2.834 1.00 0.00 C ATOM 1840 CG PRO A 115 15.449 3.648 -3.047 1.00 0.00 C ATOM 1841 CD PRO A 115 14.184 4.367 -3.424 1.00 0.00 C ATOM 0 HA PRO A 115 16.333 6.817 -3.473 1.00 0.00 H new ATOM 0 HB2 PRO A 115 17.481 4.327 -3.019 1.00 0.00 H new ATOM 0 HB3 PRO A 115 16.458 5.076 -1.808 1.00 0.00 H new ATOM 0 HG2 PRO A 115 15.756 2.960 -3.834 1.00 0.00 H new ATOM 0 HG3 PRO A 115 15.306 3.055 -2.143 1.00 0.00 H new ATOM 0 HD2 PRO A 115 13.583 3.784 -4.121 1.00 0.00 H new ATOM 0 HD3 PRO A 115 13.559 4.565 -2.553 1.00 0.00 H new ATOM 1849 N SER A 116 18.211 5.910 -5.032 1.00 0.00 N ATOM 1850 CA SER A 116 19.088 5.802 -6.193 1.00 0.00 C ATOM 1851 C SER A 116 20.274 4.890 -5.895 1.00 0.00 C ATOM 1852 O SER A 116 20.471 4.463 -4.757 1.00 0.00 O ATOM 1853 CB SER A 116 19.587 7.186 -6.613 1.00 0.00 C ATOM 1854 OG SER A 116 20.516 7.699 -5.674 1.00 0.00 O ATOM 0 H SER A 116 18.682 6.193 -4.173 1.00 0.00 H new ATOM 0 HA SER A 116 18.514 5.367 -7.011 1.00 0.00 H new ATOM 0 HB2 SER A 116 20.054 7.125 -7.596 1.00 0.00 H new ATOM 0 HB3 SER A 116 18.742 7.869 -6.704 1.00 0.00 H new ATOM 0 HG SER A 116 21.388 7.814 -6.106 1.00 0.00 H new ATOM 1860 N SER A 117 21.060 4.596 -6.925 1.00 0.00 N ATOM 1861 CA SER A 117 22.226 3.732 -6.775 1.00 0.00 C ATOM 1862 C SER A 117 23.432 4.527 -6.285 1.00 0.00 C ATOM 1863 O SER A 117 24.568 4.248 -6.663 1.00 0.00 O ATOM 1864 CB SER A 117 22.556 3.051 -8.105 1.00 0.00 C ATOM 1865 OG SER A 117 23.155 1.785 -7.894 1.00 0.00 O ATOM 0 H SER A 117 20.911 4.943 -7.873 1.00 0.00 H new ATOM 0 HA SER A 117 21.990 2.970 -6.033 1.00 0.00 H new ATOM 0 HB2 SER A 117 21.646 2.933 -8.692 1.00 0.00 H new ATOM 0 HB3 SER A 117 23.229 3.683 -8.684 1.00 0.00 H new ATOM 0 HG SER A 117 23.355 1.369 -8.759 1.00 0.00 H new ATOM 1871 N GLY A 118 23.175 5.520 -5.439 1.00 0.00 N ATOM 1872 CA GLY A 118 24.248 6.341 -4.910 1.00 0.00 C ATOM 1873 C GLY A 118 23.860 7.802 -4.798 1.00 0.00 C ATOM 1874 O GLY A 118 23.522 8.439 -5.795 1.00 0.00 O ATOM 0 H GLY A 118 22.242 5.770 -5.111 1.00 0.00 H new ATOM 0 HA2 GLY A 118 24.535 5.968 -3.927 1.00 0.00 H new ATOM 0 HA3 GLY A 118 25.123 6.249 -5.554 1.00 0.00 H new TER 1878 GLY A 118