USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 918 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 81 MET CE :methyl 165:sc= 0 (180deg=0) USER MOD Set 1.2: A 82 THR OG1 : rot -170:sc= -0.581 USER MOD Set 2.1: A 37 ASN :FLIP amide:sc= -0.0869 X(o=-5.1,f=-4.7) USER MOD Set 2.2: A 68 GLN :FLIP amide:sc= -4.58! C(o=-7.1!,f=-4.7!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -130:sc= -0.0603 USER MOD Single : A 30 CYS SG : rot -80:sc= -5.44 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -9:sc= -2.64 USER MOD Single : A 35 ASN : amide:sc= -2.06 K(o=-2.1,f=-12!) USER MOD Single : A 45 SER OG : rot -23:sc= 0.499 USER MOD Single : A 46 LYS NZ :NH3+ -143:sc= -4.2! (180deg=-5.61!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 90:sc= -0.566 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -157:sc= 0 (180deg=-0.421) USER MOD Single : A 67 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 71 GLN :FLIP amide:sc= -1.39 F(o=-3.2!,f=-1.4) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -10.9! C(o=-14!,f=-11!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HE2:sc= -2.96 K(o=-3,f=-5.9!) USER MOD Single : A 85 SER OG : rot -135:sc= 0.189 USER MOD Single : A 92 SER OG : rot 180:sc= -0.0144 USER MOD Single : A 94 TYR OH : rot 62:sc= -0.219 USER MOD Single : A 95 GLN : amide:sc= -0.0693 X(o=-0.069,f=-0.14) USER MOD Single : A 96 GLN : amide:sc= -2.29 K(o=-2.3,f=-2.8) USER MOD Single : A 101 TYR OH : rot -159:sc= -1.66 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HE2:sc= -0.221 X(o=-0.22,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 3 12.387 -12.736 1.221 1.00 0.00 N ATOM 38 CA ARG A 3 13.358 -11.700 0.857 1.00 0.00 C ATOM 39 C ARG A 3 12.845 -10.293 1.178 1.00 0.00 C ATOM 40 O ARG A 3 13.622 -9.413 1.551 1.00 0.00 O ATOM 41 CB ARG A 3 13.763 -11.829 -0.623 1.00 0.00 C ATOM 42 CG ARG A 3 13.014 -10.912 -1.580 1.00 0.00 C ATOM 43 CD ARG A 3 13.271 -11.288 -3.032 1.00 0.00 C ATOM 44 NE ARG A 3 14.053 -10.270 -3.733 1.00 0.00 N ATOM 45 CZ ARG A 3 13.695 -9.712 -4.892 1.00 0.00 C ATOM 46 NH1 ARG A 3 12.562 -10.057 -5.491 1.00 0.00 N ATOM 47 NH2 ARG A 3 14.478 -8.802 -5.452 1.00 0.00 N ATOM 0 HA ARG A 3 14.248 -11.855 1.467 1.00 0.00 H new ATOM 0 HB2 ARG A 3 14.830 -11.626 -0.710 1.00 0.00 H new ATOM 0 HB3 ARG A 3 13.608 -12.861 -0.937 1.00 0.00 H new ATOM 0 HG2 ARG A 3 11.945 -10.965 -1.374 1.00 0.00 H new ATOM 0 HG3 ARG A 3 13.321 -9.880 -1.411 1.00 0.00 H new ATOM 0 HD2 ARG A 3 13.799 -12.241 -3.071 1.00 0.00 H new ATOM 0 HD3 ARG A 3 12.319 -11.429 -3.544 1.00 0.00 H new ATOM 0 HE ARG A 3 14.929 -9.966 -3.309 1.00 0.00 H new ATOM 0 HH11 ARG A 3 11.953 -10.756 -5.066 1.00 0.00 H new ATOM 0 HH12 ARG A 3 12.300 -9.623 -6.376 1.00 0.00 H new ATOM 0 HH21 ARG A 3 15.350 -8.530 -4.998 1.00 0.00 H new ATOM 0 HH22 ARG A 3 14.209 -8.373 -6.337 1.00 0.00 H new ATOM 61 N GLY A 4 11.542 -10.090 1.045 1.00 0.00 N ATOM 62 CA GLY A 4 10.956 -8.796 1.337 1.00 0.00 C ATOM 63 C GLY A 4 10.589 -8.033 0.085 1.00 0.00 C ATOM 64 O GLY A 4 11.457 -7.484 -0.593 1.00 0.00 O ATOM 0 H GLY A 4 10.877 -10.801 0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.065 -8.934 1.949 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.659 -8.206 1.925 1.00 0.00 H new ATOM 68 N ILE A 5 9.302 -8.004 -0.235 1.00 0.00 N ATOM 69 CA ILE A 5 8.835 -7.309 -1.422 1.00 0.00 C ATOM 70 C ILE A 5 7.712 -6.326 -1.099 1.00 0.00 C ATOM 71 O ILE A 5 6.607 -6.727 -0.726 1.00 0.00 O ATOM 72 CB ILE A 5 8.346 -8.306 -2.487 1.00 0.00 C ATOM 73 CG1 ILE A 5 9.297 -9.512 -2.576 1.00 0.00 C ATOM 74 CG2 ILE A 5 8.220 -7.618 -3.841 1.00 0.00 C ATOM 75 CD1 ILE A 5 10.752 -9.129 -2.703 1.00 0.00 C ATOM 0 H ILE A 5 8.566 -8.453 0.311 1.00 0.00 H new ATOM 0 HA ILE A 5 9.684 -6.749 -1.813 1.00 0.00 H new ATOM 0 HB ILE A 5 7.361 -8.670 -2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 5 9.169 -10.131 -1.688 1.00 0.00 H new ATOM 0 HG13 ILE A 5 9.015 -10.123 -3.433 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.873 -8.337 -4.583 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.505 -6.798 -3.768 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.192 -7.226 -4.142 1.00 0.00 H new ATOM 0 HD11 ILE A 5 11.362 -10.031 -2.761 1.00 0.00 H new ATOM 0 HD12 ILE A 5 10.895 -8.536 -3.606 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.051 -8.543 -1.834 1.00 0.00 H new ATOM 87 N VAL A 6 8.005 -5.036 -1.249 1.00 0.00 N ATOM 88 CA VAL A 6 7.027 -3.988 -0.984 1.00 0.00 C ATOM 89 C VAL A 6 6.528 -3.359 -2.283 1.00 0.00 C ATOM 90 O VAL A 6 7.319 -3.046 -3.170 1.00 0.00 O ATOM 91 CB VAL A 6 7.626 -2.876 -0.097 1.00 0.00 C ATOM 92 CG1 VAL A 6 8.681 -2.089 -0.858 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.532 -1.948 0.406 1.00 0.00 C ATOM 0 H VAL A 6 8.916 -4.693 -1.554 1.00 0.00 H new ATOM 0 HA VAL A 6 6.193 -4.459 -0.463 1.00 0.00 H new ATOM 0 HB VAL A 6 8.104 -3.347 0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.090 -1.311 -0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.482 -2.760 -1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 6 8.229 -1.631 -1.738 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.973 -1.170 1.030 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.026 -1.489 -0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.812 -2.519 0.993 1.00 0.00 H new ATOM 103 N TRP A 7 5.220 -3.161 -2.394 1.00 0.00 N ATOM 104 CA TRP A 7 4.652 -2.554 -3.595 1.00 0.00 C ATOM 105 C TRP A 7 3.910 -1.266 -3.248 1.00 0.00 C ATOM 106 O TRP A 7 3.044 -1.249 -2.374 1.00 0.00 O ATOM 107 CB TRP A 7 3.730 -3.546 -4.308 1.00 0.00 C ATOM 108 CG TRP A 7 4.478 -4.525 -5.170 1.00 0.00 C ATOM 109 CD1 TRP A 7 5.818 -4.793 -5.132 1.00 0.00 C ATOM 110 CD2 TRP A 7 3.934 -5.375 -6.187 1.00 0.00 C ATOM 111 NE1 TRP A 7 6.142 -5.738 -6.070 1.00 0.00 N ATOM 112 CE2 TRP A 7 5.004 -6.118 -6.727 1.00 0.00 C ATOM 113 CE3 TRP A 7 2.648 -5.580 -6.697 1.00 0.00 C ATOM 114 CZ2 TRP A 7 4.825 -7.046 -7.746 1.00 0.00 C ATOM 115 CZ3 TRP A 7 2.475 -6.504 -7.709 1.00 0.00 C ATOM 116 CH2 TRP A 7 3.559 -7.228 -8.223 1.00 0.00 C ATOM 0 H TRP A 7 4.538 -3.408 -1.677 1.00 0.00 H new ATOM 0 HA TRP A 7 5.466 -2.298 -4.274 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.150 -4.093 -3.565 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.020 -2.995 -4.925 1.00 0.00 H new ATOM 0 HD1 TRP A 7 6.521 -4.326 -4.458 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.079 -6.099 -6.249 1.00 0.00 H new ATOM 0 HE3 TRP A 7 1.807 -5.027 -6.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 5.659 -7.604 -8.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 1.487 -6.671 -8.111 1.00 0.00 H new ATOM 0 HH2 TRP A 7 3.389 -7.945 -9.013 1.00 0.00 H new ATOM 127 N VAL A 8 4.281 -0.181 -3.923 1.00 0.00 N ATOM 128 CA VAL A 8 3.686 1.133 -3.676 1.00 0.00 C ATOM 129 C VAL A 8 2.898 1.627 -4.889 1.00 0.00 C ATOM 130 O VAL A 8 3.265 1.359 -6.025 1.00 0.00 O ATOM 131 CB VAL A 8 4.775 2.178 -3.341 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.259 3.203 -2.345 1.00 0.00 C ATOM 133 CG2 VAL A 8 6.037 1.500 -2.814 1.00 0.00 C ATOM 0 H VAL A 8 4.996 -0.185 -4.651 1.00 0.00 H new ATOM 0 HA VAL A 8 3.010 1.018 -2.829 1.00 0.00 H new ATOM 0 HB VAL A 8 5.030 2.702 -4.262 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.045 3.926 -2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.398 3.720 -2.768 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.964 2.699 -1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.788 2.256 -2.586 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.799 0.940 -1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.427 0.818 -3.570 1.00 0.00 H new ATOM 143 N VAL A 9 1.820 2.363 -4.645 1.00 0.00 N ATOM 144 CA VAL A 9 1.008 2.897 -5.738 1.00 0.00 C ATOM 145 C VAL A 9 0.871 4.413 -5.614 1.00 0.00 C ATOM 146 O VAL A 9 0.220 4.914 -4.699 1.00 0.00 O ATOM 147 CB VAL A 9 -0.399 2.251 -5.800 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.689 1.752 -7.210 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.522 1.113 -4.796 1.00 0.00 C ATOM 0 H VAL A 9 1.488 2.603 -3.711 1.00 0.00 H new ATOM 0 HA VAL A 9 1.528 2.650 -6.664 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.135 3.011 -5.539 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.681 1.300 -7.239 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.651 2.589 -7.907 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.056 1.009 -7.494 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.519 0.677 -4.860 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.223 0.349 -5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.358 1.497 -3.789 1.00 0.00 H new ATOM 159 N ASP A 10 1.502 5.136 -6.537 1.00 0.00 N ATOM 160 CA ASP A 10 1.466 6.595 -6.524 1.00 0.00 C ATOM 161 C ASP A 10 1.854 7.170 -7.885 1.00 0.00 C ATOM 162 O ASP A 10 1.809 6.474 -8.899 1.00 0.00 O ATOM 163 CB ASP A 10 2.407 7.129 -5.443 1.00 0.00 C ATOM 164 CG ASP A 10 1.821 8.310 -4.695 1.00 0.00 C ATOM 165 OD1 ASP A 10 0.832 8.894 -5.187 1.00 0.00 O ATOM 166 OD2 ASP A 10 2.352 8.653 -3.617 1.00 0.00 O ATOM 0 H ASP A 10 2.044 4.735 -7.302 1.00 0.00 H new ATOM 0 HA ASP A 10 0.445 6.908 -6.304 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.633 6.331 -4.736 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.351 7.425 -5.901 1.00 0.00 H new ATOM 171 N ASP A 11 2.232 8.446 -7.903 1.00 0.00 N ATOM 172 CA ASP A 11 2.617 9.118 -9.141 1.00 0.00 C ATOM 173 C ASP A 11 3.917 8.558 -9.725 1.00 0.00 C ATOM 174 O ASP A 11 4.375 9.014 -10.774 1.00 0.00 O ATOM 175 CB ASP A 11 2.763 10.623 -8.902 1.00 0.00 C ATOM 176 CG ASP A 11 1.561 11.406 -9.391 1.00 0.00 C ATOM 177 OD1 ASP A 11 1.529 11.757 -10.589 1.00 0.00 O ATOM 178 OD2 ASP A 11 0.652 11.669 -8.576 1.00 0.00 O ATOM 0 H ASP A 11 2.280 9.036 -7.072 1.00 0.00 H new ATOM 0 HA ASP A 11 1.824 8.935 -9.866 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.904 10.807 -7.837 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.658 10.983 -9.409 1.00 0.00 H new ATOM 183 N ASP A 12 4.511 7.573 -9.056 1.00 0.00 N ATOM 184 CA ASP A 12 5.753 6.970 -9.531 1.00 0.00 C ATOM 185 C ASP A 12 6.920 7.952 -9.404 1.00 0.00 C ATOM 186 O ASP A 12 6.860 8.895 -8.615 1.00 0.00 O ATOM 187 CB ASP A 12 5.590 6.517 -10.987 1.00 0.00 C ATOM 188 CG ASP A 12 6.178 5.144 -11.234 1.00 0.00 C ATOM 189 OD1 ASP A 12 7.375 4.952 -10.945 1.00 0.00 O ATOM 190 OD2 ASP A 12 5.440 4.258 -11.717 1.00 0.00 O ATOM 0 H ASP A 12 4.154 7.177 -8.187 1.00 0.00 H new ATOM 0 HA ASP A 12 5.976 6.101 -8.912 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.531 6.507 -11.245 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.072 7.239 -11.646 1.00 0.00 H new ATOM 195 N SER A 13 7.971 7.723 -10.195 1.00 0.00 N ATOM 196 CA SER A 13 9.160 8.569 -10.206 1.00 0.00 C ATOM 197 C SER A 13 9.502 9.137 -8.828 1.00 0.00 C ATOM 198 O SER A 13 10.270 8.536 -8.078 1.00 0.00 O ATOM 199 CB SER A 13 8.975 9.679 -11.235 1.00 0.00 C ATOM 200 OG SER A 13 10.222 10.127 -11.740 1.00 0.00 O ATOM 0 H SER A 13 8.018 6.941 -10.848 1.00 0.00 H new ATOM 0 HA SER A 13 10.011 7.948 -10.485 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.357 9.317 -12.056 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.443 10.515 -10.780 1.00 0.00 H new ATOM 0 HG SER A 13 10.072 10.837 -12.399 1.00 0.00 H new ATOM 206 N SER A 14 8.938 10.291 -8.501 1.00 0.00 N ATOM 207 CA SER A 14 9.196 10.931 -7.215 1.00 0.00 C ATOM 208 C SER A 14 8.864 9.997 -6.057 1.00 0.00 C ATOM 209 O SER A 14 9.726 9.681 -5.237 1.00 0.00 O ATOM 210 CB SER A 14 8.389 12.225 -7.092 1.00 0.00 C ATOM 211 OG SER A 14 8.483 12.760 -5.783 1.00 0.00 O ATOM 0 H SER A 14 8.298 10.805 -9.107 1.00 0.00 H new ATOM 0 HA SER A 14 10.259 11.168 -7.168 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.754 12.955 -7.814 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.344 12.031 -7.335 1.00 0.00 H new ATOM 0 HG SER A 14 7.960 13.587 -5.729 1.00 0.00 H new ATOM 217 N ILE A 15 7.614 9.559 -5.994 1.00 0.00 N ATOM 218 CA ILE A 15 7.177 8.665 -4.931 1.00 0.00 C ATOM 219 C ILE A 15 7.869 7.312 -5.028 1.00 0.00 C ATOM 220 O ILE A 15 7.999 6.600 -4.029 1.00 0.00 O ATOM 221 CB ILE A 15 5.652 8.455 -4.950 1.00 0.00 C ATOM 222 CG1 ILE A 15 4.928 9.796 -5.097 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.207 7.742 -3.680 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.149 10.735 -3.932 1.00 0.00 C ATOM 0 H ILE A 15 6.887 9.807 -6.665 1.00 0.00 H new ATOM 0 HA ILE A 15 7.452 9.144 -3.991 1.00 0.00 H new ATOM 0 HB ILE A 15 5.394 7.833 -5.807 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.264 10.282 -6.013 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.859 9.612 -5.207 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.127 7.598 -3.703 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.701 6.773 -3.615 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.474 8.344 -2.812 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.606 11.664 -4.106 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.787 10.269 -3.015 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.213 10.949 -3.834 1.00 0.00 H new ATOM 236 N ARG A 16 8.314 6.960 -6.227 1.00 0.00 N ATOM 237 CA ARG A 16 8.996 5.690 -6.442 1.00 0.00 C ATOM 238 C ARG A 16 10.442 5.760 -5.971 1.00 0.00 C ATOM 239 O ARG A 16 10.955 4.814 -5.373 1.00 0.00 O ATOM 240 CB ARG A 16 8.959 5.295 -7.922 1.00 0.00 C ATOM 241 CG ARG A 16 9.633 3.958 -8.205 1.00 0.00 C ATOM 242 CD ARG A 16 10.014 3.814 -9.670 1.00 0.00 C ATOM 243 NE ARG A 16 10.005 2.416 -10.101 1.00 0.00 N ATOM 244 CZ ARG A 16 11.099 1.670 -10.257 1.00 0.00 C ATOM 245 NH1 ARG A 16 12.304 2.181 -10.036 1.00 0.00 N ATOM 246 NH2 ARG A 16 10.987 0.405 -10.641 1.00 0.00 N ATOM 0 H ARG A 16 8.215 7.534 -7.064 1.00 0.00 H new ATOM 0 HA ARG A 16 8.471 4.934 -5.858 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.921 5.248 -8.253 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.447 6.072 -8.511 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.526 3.863 -7.587 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.962 3.146 -7.923 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.320 4.388 -10.284 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.006 4.237 -9.831 1.00 0.00 H new ATOM 0 HE ARG A 16 9.102 1.983 -10.295 1.00 0.00 H new ATOM 0 HH11 ARG A 16 12.400 3.154 -9.744 1.00 0.00 H new ATOM 0 HH12 ARG A 16 13.134 1.601 -10.158 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.065 0.005 -10.816 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.823 -0.167 -10.761 1.00 0.00 H new ATOM 260 N TRP A 17 11.099 6.878 -6.253 1.00 0.00 N ATOM 261 CA TRP A 17 12.489 7.056 -5.867 1.00 0.00 C ATOM 262 C TRP A 17 12.648 7.099 -4.351 1.00 0.00 C ATOM 263 O TRP A 17 13.605 6.555 -3.802 1.00 0.00 O ATOM 264 CB TRP A 17 13.064 8.332 -6.478 1.00 0.00 C ATOM 265 CG TRP A 17 14.524 8.499 -6.191 1.00 0.00 C ATOM 266 CD1 TRP A 17 15.563 7.921 -6.863 1.00 0.00 C ATOM 267 CD2 TRP A 17 15.106 9.282 -5.147 1.00 0.00 C ATOM 268 NE1 TRP A 17 16.756 8.301 -6.299 1.00 0.00 N ATOM 269 CE2 TRP A 17 16.503 9.137 -5.244 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.582 10.096 -4.138 1.00 0.00 C ATOM 271 CZ2 TRP A 17 17.380 9.777 -4.372 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.451 10.728 -3.273 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.836 10.566 -3.394 1.00 0.00 C ATOM 0 H TRP A 17 10.691 7.672 -6.746 1.00 0.00 H new ATOM 0 HA TRP A 17 13.040 6.196 -6.248 1.00 0.00 H new ATOM 0 HB2 TRP A 17 12.909 8.316 -7.557 1.00 0.00 H new ATOM 0 HB3 TRP A 17 12.520 9.193 -6.090 1.00 0.00 H new ATOM 0 HD1 TRP A 17 15.461 7.262 -7.713 1.00 0.00 H new ATOM 0 HE1 TRP A 17 17.681 8.008 -6.615 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.515 10.228 -4.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 18.449 9.656 -4.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.056 11.358 -2.490 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.490 11.074 -2.701 1.00 0.00 H new ATOM 284 N VAL A 18 11.720 7.766 -3.681 1.00 0.00 N ATOM 285 CA VAL A 18 11.779 7.895 -2.234 1.00 0.00 C ATOM 286 C VAL A 18 11.517 6.570 -1.529 1.00 0.00 C ATOM 287 O VAL A 18 12.127 6.268 -0.504 1.00 0.00 O ATOM 288 CB VAL A 18 10.775 8.943 -1.715 1.00 0.00 C ATOM 289 CG1 VAL A 18 11.131 9.353 -0.297 1.00 0.00 C ATOM 290 CG2 VAL A 18 10.730 10.157 -2.632 1.00 0.00 C ATOM 0 H VAL A 18 10.919 8.225 -4.115 1.00 0.00 H new ATOM 0 HA VAL A 18 12.793 8.222 -2.004 1.00 0.00 H new ATOM 0 HB VAL A 18 9.782 8.493 -1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.415 10.094 0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.101 8.478 0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.133 9.782 -0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.014 10.881 -2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.718 10.614 -2.679 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.425 9.847 -3.632 1.00 0.00 H new ATOM 300 N LEU A 19 10.595 5.796 -2.069 1.00 0.00 N ATOM 301 CA LEU A 19 10.234 4.515 -1.481 1.00 0.00 C ATOM 302 C LEU A 19 11.165 3.385 -1.917 1.00 0.00 C ATOM 303 O LEU A 19 11.364 2.420 -1.181 1.00 0.00 O ATOM 304 CB LEU A 19 8.784 4.166 -1.823 1.00 0.00 C ATOM 305 CG LEU A 19 7.874 3.926 -0.615 1.00 0.00 C ATOM 306 CD1 LEU A 19 8.441 2.829 0.276 1.00 0.00 C ATOM 307 CD2 LEU A 19 7.685 5.211 0.172 1.00 0.00 C ATOM 0 H LEU A 19 10.079 6.031 -2.917 1.00 0.00 H new ATOM 0 HA LEU A 19 10.341 4.618 -0.401 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.363 4.974 -2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.779 3.272 -2.446 1.00 0.00 H new ATOM 0 HG LEU A 19 6.900 3.599 -0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.779 2.674 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.522 1.903 -0.294 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.428 3.123 0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.036 5.022 1.027 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.653 5.568 0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.230 5.967 -0.469 1.00 0.00 H new ATOM 319 N GLU A 20 11.724 3.498 -3.113 1.00 0.00 N ATOM 320 CA GLU A 20 12.616 2.463 -3.625 1.00 0.00 C ATOM 321 C GLU A 20 13.921 2.393 -2.843 1.00 0.00 C ATOM 322 O GLU A 20 14.268 1.350 -2.290 1.00 0.00 O ATOM 323 CB GLU A 20 12.898 2.660 -5.120 1.00 0.00 C ATOM 324 CG GLU A 20 13.719 3.888 -5.463 1.00 0.00 C ATOM 325 CD GLU A 20 13.822 4.116 -6.960 1.00 0.00 C ATOM 326 OE1 GLU A 20 12.926 3.653 -7.696 1.00 0.00 O ATOM 327 OE2 GLU A 20 14.801 4.759 -7.394 1.00 0.00 O ATOM 0 H GLU A 20 11.579 4.287 -3.743 1.00 0.00 H new ATOM 0 HA GLU A 20 12.100 1.512 -3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 20 13.417 1.778 -5.495 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.947 2.719 -5.649 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.270 4.764 -4.995 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.720 3.781 -5.045 1.00 0.00 H new ATOM 334 N ARG A 21 14.649 3.496 -2.820 1.00 0.00 N ATOM 335 CA ARG A 21 15.930 3.557 -2.128 1.00 0.00 C ATOM 336 C ARG A 21 15.772 3.372 -0.621 1.00 0.00 C ATOM 337 O ARG A 21 16.454 2.545 -0.017 1.00 0.00 O ATOM 338 CB ARG A 21 16.630 4.883 -2.427 1.00 0.00 C ATOM 339 CG ARG A 21 17.007 5.052 -3.892 1.00 0.00 C ATOM 340 CD ARG A 21 18.512 4.972 -4.097 1.00 0.00 C ATOM 341 NE ARG A 21 18.879 5.133 -5.502 1.00 0.00 N ATOM 342 CZ ARG A 21 20.065 4.800 -6.002 1.00 0.00 C ATOM 343 NH1 ARG A 21 21.004 4.285 -5.218 1.00 0.00 N ATOM 344 NH2 ARG A 21 20.316 4.982 -7.292 1.00 0.00 N ATOM 0 H ARG A 21 14.375 4.367 -3.274 1.00 0.00 H new ATOM 0 HA ARG A 21 16.543 2.735 -2.498 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.978 5.704 -2.131 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.531 4.955 -1.817 1.00 0.00 H new ATOM 0 HG2 ARG A 21 16.517 4.280 -4.485 1.00 0.00 H new ATOM 0 HG3 ARG A 21 16.641 6.013 -4.254 1.00 0.00 H new ATOM 0 HD2 ARG A 21 19.001 5.744 -3.503 1.00 0.00 H new ATOM 0 HD3 ARG A 21 18.877 4.011 -3.734 1.00 0.00 H new ATOM 0 HE ARG A 21 18.184 5.524 -6.137 1.00 0.00 H new ATOM 0 HH11 ARG A 21 20.818 4.142 -4.225 1.00 0.00 H new ATOM 0 HH12 ARG A 21 21.912 4.032 -5.608 1.00 0.00 H new ATOM 0 HH21 ARG A 21 19.599 5.377 -7.900 1.00 0.00 H new ATOM 0 HH22 ARG A 21 21.226 4.727 -7.676 1.00 0.00 H new ATOM 358 N ALA A 22 14.883 4.151 -0.012 1.00 0.00 N ATOM 359 CA ALA A 22 14.662 4.066 1.429 1.00 0.00 C ATOM 360 C ALA A 22 14.289 2.657 1.853 1.00 0.00 C ATOM 361 O ALA A 22 14.802 2.134 2.841 1.00 0.00 O ATOM 362 CB ALA A 22 13.594 5.058 1.867 1.00 0.00 C ATOM 0 H ALA A 22 14.307 4.844 -0.490 1.00 0.00 H new ATOM 0 HA ALA A 22 15.599 4.323 1.923 1.00 0.00 H new ATOM 0 HB1 ALA A 22 13.444 4.979 2.944 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.913 6.070 1.618 1.00 0.00 H new ATOM 0 HB3 ALA A 22 12.659 4.836 1.353 1.00 0.00 H new ATOM 368 N LEU A 23 13.400 2.044 1.096 1.00 0.00 N ATOM 369 CA LEU A 23 12.965 0.687 1.388 1.00 0.00 C ATOM 370 C LEU A 23 14.076 -0.302 1.064 1.00 0.00 C ATOM 371 O LEU A 23 14.185 -1.367 1.678 1.00 0.00 O ATOM 372 CB LEU A 23 11.694 0.355 0.606 1.00 0.00 C ATOM 373 CG LEU A 23 10.915 -0.861 1.102 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.481 -2.134 0.501 1.00 0.00 C ATOM 375 CD2 LEU A 23 10.928 -0.940 2.623 1.00 0.00 C ATOM 0 H LEU A 23 12.964 2.461 0.274 1.00 0.00 H new ATOM 0 HA LEU A 23 12.738 0.611 2.451 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.035 1.223 0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.963 0.191 -0.438 1.00 0.00 H new ATOM 0 HG LEU A 23 9.880 -0.751 0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.915 -2.991 0.865 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.410 -2.086 -0.586 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.526 -2.240 0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.366 -1.816 2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 23 11.957 -1.019 2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.471 -0.042 3.038 1.00 0.00 H new ATOM 387 N ALA A 24 14.920 0.074 0.112 1.00 0.00 N ATOM 388 CA ALA A 24 16.044 -0.758 -0.271 1.00 0.00 C ATOM 389 C ALA A 24 17.026 -0.837 0.884 1.00 0.00 C ATOM 390 O ALA A 24 17.662 -1.867 1.106 1.00 0.00 O ATOM 391 CB ALA A 24 16.721 -0.206 -1.518 1.00 0.00 C ATOM 0 H ALA A 24 14.844 0.949 -0.406 1.00 0.00 H new ATOM 0 HA ALA A 24 15.685 -1.761 -0.504 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.562 -0.845 -1.789 1.00 0.00 H new ATOM 0 HB2 ALA A 24 16.005 -0.181 -2.340 1.00 0.00 H new ATOM 0 HB3 ALA A 24 17.081 0.803 -1.320 1.00 0.00 H new ATOM 397 N GLY A 25 17.124 0.259 1.639 1.00 0.00 N ATOM 398 CA GLY A 25 18.010 0.286 2.783 1.00 0.00 C ATOM 399 C GLY A 25 17.615 -0.759 3.805 1.00 0.00 C ATOM 400 O GLY A 25 18.457 -1.271 4.542 1.00 0.00 O ATOM 0 H GLY A 25 16.606 1.122 1.475 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.035 0.110 2.457 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.986 1.275 3.242 1.00 0.00 H new ATOM 404 N ALA A 26 16.325 -1.079 3.837 1.00 0.00 N ATOM 405 CA ALA A 26 15.806 -2.074 4.757 1.00 0.00 C ATOM 406 C ALA A 26 16.132 -3.486 4.275 1.00 0.00 C ATOM 407 O ALA A 26 16.047 -4.447 5.040 1.00 0.00 O ATOM 408 CB ALA A 26 14.305 -1.897 4.933 1.00 0.00 C ATOM 0 H ALA A 26 15.620 -0.659 3.231 1.00 0.00 H new ATOM 0 HA ALA A 26 16.288 -1.932 5.724 1.00 0.00 H new ATOM 0 HB1 ALA A 26 13.929 -2.650 5.626 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.100 -0.903 5.331 1.00 0.00 H new ATOM 0 HB3 ALA A 26 13.810 -2.011 3.969 1.00 0.00 H new ATOM 414 N GLY A 27 16.522 -3.602 3.005 1.00 0.00 N ATOM 415 CA GLY A 27 16.876 -4.897 2.454 1.00 0.00 C ATOM 416 C GLY A 27 15.743 -5.568 1.699 1.00 0.00 C ATOM 417 O GLY A 27 15.716 -6.794 1.594 1.00 0.00 O ATOM 0 H GLY A 27 16.598 -2.823 2.351 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.727 -4.777 1.783 1.00 0.00 H new ATOM 0 HA3 GLY A 27 17.199 -5.551 3.264 1.00 0.00 H new ATOM 421 N LEU A 28 14.811 -4.783 1.163 1.00 0.00 N ATOM 422 CA LEU A 28 13.699 -5.352 0.418 1.00 0.00 C ATOM 423 C LEU A 28 13.499 -4.644 -0.922 1.00 0.00 C ATOM 424 O LEU A 28 14.148 -3.638 -1.207 1.00 0.00 O ATOM 425 CB LEU A 28 12.412 -5.313 1.246 1.00 0.00 C ATOM 426 CG LEU A 28 12.602 -5.187 2.758 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.627 -3.728 3.173 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.502 -5.935 3.496 1.00 0.00 C ATOM 0 H LEU A 28 14.806 -3.765 1.231 1.00 0.00 H new ATOM 0 HA LEU A 28 13.944 -6.393 0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.806 -4.474 0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.844 -6.221 1.044 1.00 0.00 H new ATOM 0 HG LEU A 28 13.560 -5.634 3.023 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.763 -3.659 4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.451 -3.221 2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.685 -3.254 2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.652 -5.835 4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.533 -5.517 3.225 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.532 -6.990 3.222 1.00 0.00 H new ATOM 440 N THR A 29 12.603 -5.189 -1.745 1.00 0.00 N ATOM 441 CA THR A 29 12.328 -4.619 -3.065 1.00 0.00 C ATOM 442 C THR A 29 11.107 -3.710 -3.035 1.00 0.00 C ATOM 443 O THR A 29 10.096 -4.026 -2.409 1.00 0.00 O ATOM 444 CB THR A 29 12.116 -5.734 -4.095 1.00 0.00 C ATOM 445 OG1 THR A 29 13.341 -6.380 -4.393 1.00 0.00 O ATOM 446 CG2 THR A 29 11.520 -5.246 -5.402 1.00 0.00 C ATOM 0 H THR A 29 12.057 -6.021 -1.523 1.00 0.00 H new ATOM 0 HA THR A 29 13.193 -4.021 -3.352 1.00 0.00 H new ATOM 0 HB THR A 29 11.409 -6.422 -3.631 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.457 -6.429 -5.365 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.398 -6.088 -6.083 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.549 -4.790 -5.211 1.00 0.00 H new ATOM 0 HG23 THR A 29 12.185 -4.509 -5.852 1.00 0.00 H new ATOM 454 N CYS A 30 11.214 -2.578 -3.721 1.00 0.00 N ATOM 455 CA CYS A 30 10.124 -1.614 -3.781 1.00 0.00 C ATOM 456 C CYS A 30 9.776 -1.240 -5.214 1.00 0.00 C ATOM 457 O CYS A 30 10.587 -0.651 -5.928 1.00 0.00 O ATOM 458 CB CYS A 30 10.497 -0.361 -3.003 1.00 0.00 C ATOM 459 SG CYS A 30 9.090 0.687 -2.577 1.00 0.00 S ATOM 0 H CYS A 30 12.046 -2.306 -4.244 1.00 0.00 H new ATOM 0 HA CYS A 30 9.247 -2.082 -3.334 1.00 0.00 H new ATOM 0 HB2 CYS A 30 11.009 -0.654 -2.086 1.00 0.00 H new ATOM 0 HB3 CYS A 30 11.206 0.222 -3.591 1.00 0.00 H new ATOM 0 HG CYS A 30 8.758 1.407 -3.607 1.00 0.00 H new ATOM 465 N THR A 31 8.551 -1.551 -5.616 1.00 0.00 N ATOM 466 CA THR A 31 8.079 -1.216 -6.949 1.00 0.00 C ATOM 467 C THR A 31 6.833 -0.348 -6.823 1.00 0.00 C ATOM 468 O THR A 31 6.019 -0.547 -5.920 1.00 0.00 O ATOM 469 CB THR A 31 7.776 -2.477 -7.767 1.00 0.00 C ATOM 470 OG1 THR A 31 7.792 -2.184 -9.151 1.00 0.00 O ATOM 471 CG2 THR A 31 6.427 -3.076 -7.462 1.00 0.00 C ATOM 0 H THR A 31 7.866 -2.036 -5.035 1.00 0.00 H new ATOM 0 HA THR A 31 8.860 -0.669 -7.477 1.00 0.00 H new ATOM 0 HB THR A 31 8.552 -3.192 -7.493 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.599 -2.999 -9.660 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.277 -3.965 -8.075 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.380 -3.350 -6.408 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.647 -2.347 -7.682 1.00 0.00 H new ATOM 479 N THR A 32 6.692 0.625 -7.708 1.00 0.00 N ATOM 480 CA THR A 32 5.550 1.524 -7.659 1.00 0.00 C ATOM 481 C THR A 32 4.697 1.437 -8.915 1.00 0.00 C ATOM 482 O THR A 32 5.146 0.963 -9.959 1.00 0.00 O ATOM 483 CB THR A 32 6.024 2.953 -7.438 1.00 0.00 C ATOM 484 OG1 THR A 32 6.821 3.387 -8.524 1.00 0.00 O ATOM 485 CG2 THR A 32 6.837 3.104 -6.170 1.00 0.00 C ATOM 0 H THR A 32 7.350 0.812 -8.465 1.00 0.00 H new ATOM 0 HA THR A 32 4.923 1.215 -6.823 1.00 0.00 H new ATOM 0 HB THR A 32 5.124 3.561 -7.352 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.014 2.627 -9.112 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.150 4.142 -6.060 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.230 2.815 -5.312 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.717 2.463 -6.224 1.00 0.00 H new ATOM 493 N PHE A 33 3.452 1.884 -8.791 1.00 0.00 N ATOM 494 CA PHE A 33 2.511 1.846 -9.899 1.00 0.00 C ATOM 495 C PHE A 33 1.736 3.160 -10.033 1.00 0.00 C ATOM 496 O PHE A 33 1.830 4.041 -9.178 1.00 0.00 O ATOM 497 CB PHE A 33 1.523 0.702 -9.721 1.00 0.00 C ATOM 498 CG PHE A 33 2.130 -0.630 -9.383 1.00 0.00 C ATOM 499 CD1 PHE A 33 2.925 -0.806 -8.262 1.00 0.00 C ATOM 500 CD2 PHE A 33 1.889 -1.714 -10.198 1.00 0.00 C ATOM 501 CE1 PHE A 33 3.464 -2.040 -7.969 1.00 0.00 C ATOM 502 CE2 PHE A 33 2.424 -2.948 -9.908 1.00 0.00 C ATOM 503 CZ PHE A 33 3.211 -3.117 -8.799 1.00 0.00 C ATOM 0 H PHE A 33 3.072 2.278 -7.930 1.00 0.00 H new ATOM 0 HA PHE A 33 3.094 1.694 -10.807 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.820 0.972 -8.933 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.947 0.596 -10.640 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.124 0.032 -7.611 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.272 -1.594 -11.076 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.083 -2.166 -7.093 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.223 -3.787 -10.557 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.631 -4.086 -8.574 1.00 0.00 H new ATOM 513 N GLU A 34 0.973 3.275 -11.123 1.00 0.00 N ATOM 514 CA GLU A 34 0.177 4.472 -11.405 1.00 0.00 C ATOM 515 C GLU A 34 -0.917 4.699 -10.359 1.00 0.00 C ATOM 516 O GLU A 34 -1.141 5.827 -9.922 1.00 0.00 O ATOM 517 CB GLU A 34 -0.433 4.379 -12.820 1.00 0.00 C ATOM 518 CG GLU A 34 -1.862 3.825 -12.895 1.00 0.00 C ATOM 519 CD GLU A 34 -1.985 2.615 -13.801 1.00 0.00 C ATOM 520 OE1 GLU A 34 -1.322 2.598 -14.859 1.00 0.00 O ATOM 521 OE2 GLU A 34 -2.748 1.686 -13.451 1.00 0.00 O ATOM 0 H GLU A 34 0.890 2.546 -11.831 1.00 0.00 H new ATOM 0 HA GLU A 34 0.845 5.332 -11.357 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.425 5.374 -13.265 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.213 3.751 -13.433 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.194 3.556 -11.892 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.531 4.608 -13.252 1.00 0.00 H new ATOM 528 N ASN A 35 -1.609 3.634 -9.975 1.00 0.00 N ATOM 529 CA ASN A 35 -2.683 3.745 -9.003 1.00 0.00 C ATOM 530 C ASN A 35 -3.202 2.374 -8.607 1.00 0.00 C ATOM 531 O ASN A 35 -2.732 1.349 -9.101 1.00 0.00 O ATOM 532 CB ASN A 35 -3.831 4.590 -9.562 1.00 0.00 C ATOM 533 CG ASN A 35 -4.393 4.026 -10.854 1.00 0.00 C ATOM 534 OD1 ASN A 35 -4.552 2.813 -11.000 1.00 0.00 O ATOM 535 ND2 ASN A 35 -4.698 4.905 -11.801 1.00 0.00 N ATOM 0 H ASN A 35 -1.445 2.689 -10.321 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.279 4.235 -8.117 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.627 4.652 -8.820 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.478 5.606 -9.736 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.080 4.584 -12.691 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.551 5.901 -11.639 1.00 0.00 H new ATOM 542 N GLY A 36 -4.170 2.371 -7.705 1.00 0.00 N ATOM 543 CA GLY A 36 -4.751 1.134 -7.227 1.00 0.00 C ATOM 544 C GLY A 36 -5.021 0.122 -8.321 1.00 0.00 C ATOM 545 O GLY A 36 -4.953 -1.081 -8.079 1.00 0.00 O ATOM 0 H GLY A 36 -4.568 3.214 -7.291 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.081 0.689 -6.491 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.686 1.357 -6.713 1.00 0.00 H new ATOM 549 N ASN A 37 -5.346 0.601 -9.518 1.00 0.00 N ATOM 550 CA ASN A 37 -5.646 -0.293 -10.629 1.00 0.00 C ATOM 551 C ASN A 37 -4.388 -0.969 -11.161 1.00 0.00 C ATOM 552 O ASN A 37 -4.378 -2.178 -11.397 1.00 0.00 O ATOM 553 CB ASN A 37 -6.361 0.460 -11.753 1.00 0.00 C ATOM 554 CG ASN A 37 -7.671 -0.202 -12.140 1.00 0.00 C ATOM 555 OD1 ASN A 37 -8.460 -0.586 -11.139 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -7.972 -0.371 -13.322 1.00 0.00 N flip ATOM 0 H ASN A 37 -5.408 1.594 -9.742 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.309 -1.071 -10.251 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -6.553 1.485 -11.437 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.710 0.512 -12.626 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.338 -0.062 -14.059 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.855 -0.820 -13.564 1.00 0.00 H new ATOM 563 N GLU A 38 -3.328 -0.193 -11.350 1.00 0.00 N ATOM 564 CA GLU A 38 -2.075 -0.733 -11.858 1.00 0.00 C ATOM 565 C GLU A 38 -1.610 -1.941 -11.043 1.00 0.00 C ATOM 566 O GLU A 38 -1.354 -3.006 -11.608 1.00 0.00 O ATOM 567 CB GLU A 38 -0.997 0.343 -11.833 1.00 0.00 C ATOM 568 CG GLU A 38 -0.062 0.307 -13.035 1.00 0.00 C ATOM 569 CD GLU A 38 0.544 -1.062 -13.274 1.00 0.00 C ATOM 570 OE1 GLU A 38 -0.218 -2.012 -13.546 1.00 0.00 O ATOM 571 OE2 GLU A 38 1.785 -1.183 -13.194 1.00 0.00 O ATOM 0 H GLU A 38 -3.311 0.809 -11.160 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.247 -1.061 -12.883 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.475 1.321 -11.786 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.408 0.232 -10.923 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.611 0.615 -13.925 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.739 1.032 -12.887 1.00 0.00 H new ATOM 578 N VAL A 39 -1.485 -1.786 -9.720 1.00 0.00 N ATOM 579 CA VAL A 39 -1.033 -2.895 -8.878 1.00 0.00 C ATOM 580 C VAL A 39 -1.806 -4.172 -9.182 1.00 0.00 C ATOM 581 O VAL A 39 -1.248 -5.267 -9.152 1.00 0.00 O ATOM 582 CB VAL A 39 -1.164 -2.588 -7.373 1.00 0.00 C ATOM 583 CG1 VAL A 39 -0.326 -3.564 -6.559 1.00 0.00 C ATOM 584 CG2 VAL A 39 -0.757 -1.159 -7.073 1.00 0.00 C ATOM 0 H VAL A 39 -1.686 -0.921 -9.219 1.00 0.00 H new ATOM 0 HA VAL A 39 0.022 -3.034 -9.114 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.210 -2.707 -7.091 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.428 -3.335 -5.498 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.669 -4.582 -6.745 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.721 -3.475 -6.850 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.859 -0.968 -6.005 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.280 -1.006 -7.372 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.399 -0.474 -7.626 1.00 0.00 H new ATOM 594 N LEU A 40 -3.091 -4.029 -9.481 1.00 0.00 N ATOM 595 CA LEU A 40 -3.928 -5.186 -9.793 1.00 0.00 C ATOM 596 C LEU A 40 -3.421 -5.890 -11.044 1.00 0.00 C ATOM 597 O LEU A 40 -3.251 -7.110 -11.057 1.00 0.00 O ATOM 598 CB LEU A 40 -5.389 -4.784 -10.007 1.00 0.00 C ATOM 599 CG LEU A 40 -5.916 -3.670 -9.109 1.00 0.00 C ATOM 600 CD1 LEU A 40 -7.279 -3.223 -9.582 1.00 0.00 C ATOM 601 CD2 LEU A 40 -5.999 -4.122 -7.659 1.00 0.00 C ATOM 0 H LEU A 40 -3.576 -3.132 -9.515 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.872 -5.861 -8.939 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.511 -4.475 -11.045 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.013 -5.666 -9.861 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.218 -2.835 -9.167 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.646 -2.427 -8.934 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.206 -2.853 -10.605 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.970 -4.065 -9.549 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.378 -3.305 -7.044 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.671 -4.976 -7.582 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.007 -4.408 -7.310 1.00 0.00 H new ATOM 613 N ALA A 41 -3.192 -5.115 -12.100 1.00 0.00 N ATOM 614 CA ALA A 41 -2.715 -5.667 -13.363 1.00 0.00 C ATOM 615 C ALA A 41 -1.448 -6.483 -13.166 1.00 0.00 C ATOM 616 O ALA A 41 -1.349 -7.622 -13.621 1.00 0.00 O ATOM 617 CB ALA A 41 -2.479 -4.554 -14.373 1.00 0.00 C ATOM 0 H ALA A 41 -3.329 -4.104 -12.106 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.485 -6.334 -13.749 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.123 -4.982 -15.310 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.412 -4.019 -14.550 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.732 -3.862 -13.984 1.00 0.00 H new ATOM 623 N ALA A 42 -0.485 -5.891 -12.487 1.00 0.00 N ATOM 624 CA ALA A 42 0.783 -6.555 -12.222 1.00 0.00 C ATOM 625 C ALA A 42 0.616 -7.679 -11.214 1.00 0.00 C ATOM 626 O ALA A 42 1.304 -8.695 -11.283 1.00 0.00 O ATOM 627 CB ALA A 42 1.815 -5.551 -11.732 1.00 0.00 C ATOM 0 H ALA A 42 -0.554 -4.947 -12.106 1.00 0.00 H new ATOM 0 HA ALA A 42 1.135 -6.992 -13.156 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.757 -6.063 -11.538 1.00 0.00 H new ATOM 0 HB2 ALA A 42 1.968 -4.785 -12.493 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.460 -5.084 -10.813 1.00 0.00 H new ATOM 633 N LEU A 43 -0.303 -7.490 -10.272 1.00 0.00 N ATOM 634 CA LEU A 43 -0.551 -8.494 -9.249 1.00 0.00 C ATOM 635 C LEU A 43 -1.019 -9.805 -9.863 1.00 0.00 C ATOM 636 O LEU A 43 -0.822 -10.877 -9.291 1.00 0.00 O ATOM 637 CB LEU A 43 -1.596 -8.000 -8.257 1.00 0.00 C ATOM 638 CG LEU A 43 -1.064 -7.094 -7.157 1.00 0.00 C ATOM 639 CD1 LEU A 43 -2.200 -6.298 -6.536 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.337 -7.919 -6.110 1.00 0.00 C ATOM 0 H LEU A 43 -0.884 -6.655 -10.198 1.00 0.00 H new ATOM 0 HA LEU A 43 0.390 -8.669 -8.728 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.370 -7.463 -8.806 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.073 -8.864 -7.795 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.354 -6.388 -7.588 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.806 -5.654 -5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.677 -5.686 -7.302 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.933 -6.983 -6.110 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.040 -7.262 -5.327 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.025 -8.644 -5.675 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.497 -8.445 -6.575 1.00 0.00 H new ATOM 652 N ALA A 44 -1.646 -9.708 -11.026 1.00 0.00 N ATOM 653 CA ALA A 44 -2.155 -10.883 -11.721 1.00 0.00 C ATOM 654 C ALA A 44 -1.060 -11.925 -11.941 1.00 0.00 C ATOM 655 O ALA A 44 -1.349 -13.091 -12.212 1.00 0.00 O ATOM 656 CB ALA A 44 -2.775 -10.479 -13.049 1.00 0.00 C ATOM 0 H ALA A 44 -1.815 -8.826 -11.510 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.921 -11.337 -11.092 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.152 -11.365 -13.559 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.597 -9.786 -12.871 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.021 -9.996 -13.670 1.00 0.00 H new ATOM 662 N SER A 45 0.196 -11.503 -11.834 1.00 0.00 N ATOM 663 CA SER A 45 1.319 -12.402 -12.030 1.00 0.00 C ATOM 664 C SER A 45 2.212 -12.479 -10.790 1.00 0.00 C ATOM 665 O SER A 45 3.179 -13.241 -10.767 1.00 0.00 O ATOM 666 CB SER A 45 2.143 -11.957 -13.239 1.00 0.00 C ATOM 667 OG SER A 45 3.161 -12.895 -13.538 1.00 0.00 O ATOM 0 H SER A 45 0.458 -10.542 -11.612 1.00 0.00 H new ATOM 0 HA SER A 45 0.915 -13.398 -12.209 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.490 -11.837 -14.103 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.590 -10.983 -13.039 1.00 0.00 H new ATOM 0 HG SER A 45 3.374 -13.414 -12.735 1.00 0.00 H new ATOM 673 N LYS A 46 1.897 -11.691 -9.764 1.00 0.00 N ATOM 674 CA LYS A 46 2.692 -11.690 -8.542 1.00 0.00 C ATOM 675 C LYS A 46 1.980 -10.950 -7.413 1.00 0.00 C ATOM 676 O LYS A 46 1.020 -10.219 -7.645 1.00 0.00 O ATOM 677 CB LYS A 46 4.051 -11.045 -8.804 1.00 0.00 C ATOM 678 CG LYS A 46 5.167 -11.599 -7.935 1.00 0.00 C ATOM 679 CD LYS A 46 5.883 -10.491 -7.181 1.00 0.00 C ATOM 680 CE LYS A 46 6.211 -10.911 -5.758 1.00 0.00 C ATOM 681 NZ LYS A 46 6.332 -9.739 -4.849 1.00 0.00 N ATOM 0 H LYS A 46 1.103 -11.051 -9.756 1.00 0.00 H new ATOM 0 HA LYS A 46 2.831 -12.726 -8.233 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.314 -11.186 -9.852 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.972 -9.971 -8.637 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.756 -12.317 -7.226 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.881 -12.139 -8.557 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.802 -10.227 -7.705 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.258 -9.598 -7.164 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.433 -11.579 -5.388 1.00 0.00 H new ATOM 0 HE3 LYS A 46 7.144 -11.474 -5.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.093 -9.910 -4.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.554 -8.889 -5.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.434 -9.597 -4.344 1.00 0.00 H new ATOM 695 N THR A 47 2.462 -11.141 -6.190 1.00 0.00 N ATOM 696 CA THR A 47 1.878 -10.486 -5.030 1.00 0.00 C ATOM 697 C THR A 47 2.962 -9.996 -4.066 1.00 0.00 C ATOM 698 O THR A 47 3.834 -10.765 -3.662 1.00 0.00 O ATOM 699 CB THR A 47 0.916 -11.431 -4.303 1.00 0.00 C ATOM 700 OG1 THR A 47 -0.186 -11.761 -5.131 1.00 0.00 O ATOM 701 CG2 THR A 47 0.365 -10.853 -3.017 1.00 0.00 C ATOM 0 H THR A 47 3.256 -11.745 -5.978 1.00 0.00 H new ATOM 0 HA THR A 47 1.320 -9.620 -5.385 1.00 0.00 H new ATOM 0 HB THR A 47 1.508 -12.314 -4.062 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.788 -12.366 -4.649 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.309 -11.574 -2.554 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.187 -10.634 -2.335 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.180 -9.935 -3.235 1.00 0.00 H new ATOM 709 N PRO A 48 2.913 -8.710 -3.673 1.00 0.00 N ATOM 710 CA PRO A 48 3.885 -8.138 -2.742 1.00 0.00 C ATOM 711 C PRO A 48 3.590 -8.529 -1.303 1.00 0.00 C ATOM 712 O PRO A 48 2.467 -8.911 -0.972 1.00 0.00 O ATOM 713 CB PRO A 48 3.703 -6.636 -2.932 1.00 0.00 C ATOM 714 CG PRO A 48 2.273 -6.478 -3.322 1.00 0.00 C ATOM 715 CD PRO A 48 1.903 -7.720 -4.091 1.00 0.00 C ATOM 0 HA PRO A 48 4.899 -8.487 -2.934 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.927 -6.090 -2.015 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.369 -6.250 -3.703 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.641 -6.363 -2.442 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.133 -5.586 -3.933 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.893 -8.053 -3.850 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.934 -7.548 -5.167 1.00 0.00 H new ATOM 723 N ASP A 49 4.597 -8.431 -0.448 1.00 0.00 N ATOM 724 CA ASP A 49 4.430 -8.775 0.955 1.00 0.00 C ATOM 725 C ASP A 49 3.664 -7.683 1.687 1.00 0.00 C ATOM 726 O ASP A 49 2.943 -7.954 2.647 1.00 0.00 O ATOM 727 CB ASP A 49 5.790 -9.005 1.615 1.00 0.00 C ATOM 728 CG ASP A 49 6.429 -10.306 1.175 1.00 0.00 C ATOM 729 OD1 ASP A 49 5.718 -11.333 1.142 1.00 0.00 O ATOM 730 OD2 ASP A 49 7.639 -10.300 0.863 1.00 0.00 O ATOM 0 H ASP A 49 5.534 -8.117 -0.700 1.00 0.00 H new ATOM 0 HA ASP A 49 3.854 -9.699 1.015 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.454 -8.176 1.372 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.670 -9.010 2.698 1.00 0.00 H new ATOM 735 N VAL A 50 3.834 -6.442 1.239 1.00 0.00 N ATOM 736 CA VAL A 50 3.163 -5.315 1.867 1.00 0.00 C ATOM 737 C VAL A 50 2.874 -4.201 0.856 1.00 0.00 C ATOM 738 O VAL A 50 3.790 -3.557 0.350 1.00 0.00 O ATOM 739 CB VAL A 50 4.031 -4.764 3.002 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.340 -4.240 2.437 1.00 0.00 C ATOM 741 CG2 VAL A 50 3.286 -3.696 3.782 1.00 0.00 C ATOM 0 H VAL A 50 4.428 -6.195 0.447 1.00 0.00 H new ATOM 0 HA VAL A 50 2.212 -5.669 2.264 1.00 0.00 H new ATOM 0 HB VAL A 50 4.260 -5.568 3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.955 -3.849 3.247 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.871 -5.050 1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.135 -3.445 1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.923 -3.320 4.583 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.020 -2.877 3.114 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.379 -4.124 4.210 1.00 0.00 H new ATOM 751 N LEU A 51 1.597 -3.986 0.560 1.00 0.00 N ATOM 752 CA LEU A 51 1.194 -2.956 -0.396 1.00 0.00 C ATOM 753 C LEU A 51 1.019 -1.588 0.275 1.00 0.00 C ATOM 754 O LEU A 51 0.669 -1.501 1.449 1.00 0.00 O ATOM 755 CB LEU A 51 -0.104 -3.369 -1.095 1.00 0.00 C ATOM 756 CG LEU A 51 -0.419 -2.616 -2.387 1.00 0.00 C ATOM 757 CD1 LEU A 51 0.730 -2.743 -3.378 1.00 0.00 C ATOM 758 CD2 LEU A 51 -1.715 -3.131 -2.998 1.00 0.00 C ATOM 0 H LEU A 51 0.822 -4.510 0.967 1.00 0.00 H new ATOM 0 HA LEU A 51 1.991 -2.860 -1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.054 -4.435 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.932 -3.228 -0.400 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.545 -1.560 -2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.485 -2.200 -4.291 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.636 -2.326 -2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.892 -3.795 -3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.926 -2.585 -3.918 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.615 -4.193 -3.221 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.533 -2.984 -2.293 1.00 0.00 H new ATOM 770 N LEU A 52 1.263 -0.522 -0.490 1.00 0.00 N ATOM 771 CA LEU A 52 1.126 0.845 0.017 1.00 0.00 C ATOM 772 C LEU A 52 0.468 1.746 -1.027 1.00 0.00 C ATOM 773 O LEU A 52 1.012 1.946 -2.113 1.00 0.00 O ATOM 774 CB LEU A 52 2.500 1.406 0.392 1.00 0.00 C ATOM 775 CG LEU A 52 2.518 2.490 1.480 1.00 0.00 C ATOM 776 CD1 LEU A 52 3.931 3.008 1.681 1.00 0.00 C ATOM 777 CD2 LEU A 52 1.583 3.643 1.137 1.00 0.00 C ATOM 0 H LEU A 52 1.557 -0.579 -1.465 1.00 0.00 H new ATOM 0 HA LEU A 52 0.493 0.819 0.904 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.129 0.579 0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.959 1.816 -0.507 1.00 0.00 H new ATOM 0 HG LEU A 52 2.165 2.037 2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.930 3.776 2.455 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.580 2.187 1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.299 3.434 0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.622 4.391 1.929 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.894 4.095 0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.564 3.269 1.041 1.00 0.00 H new ATOM 789 N SER A 53 -0.699 2.295 -0.695 1.00 0.00 N ATOM 790 CA SER A 53 -1.416 3.178 -1.613 1.00 0.00 C ATOM 791 C SER A 53 -1.451 4.615 -1.088 1.00 0.00 C ATOM 792 O SER A 53 -1.693 4.853 0.097 1.00 0.00 O ATOM 793 CB SER A 53 -2.832 2.662 -1.847 1.00 0.00 C ATOM 794 OG SER A 53 -2.855 1.702 -2.886 1.00 0.00 O ATOM 0 H SER A 53 -1.167 2.145 0.199 1.00 0.00 H new ATOM 0 HA SER A 53 -0.881 3.182 -2.563 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.218 2.219 -0.929 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.489 3.494 -2.101 1.00 0.00 H new ATOM 0 HG SER A 53 -2.716 0.808 -2.509 1.00 0.00 H new ATOM 800 N ASP A 54 -1.181 5.563 -1.982 1.00 0.00 N ATOM 801 CA ASP A 54 -1.148 6.981 -1.628 1.00 0.00 C ATOM 802 C ASP A 54 -2.544 7.598 -1.484 1.00 0.00 C ATOM 803 O ASP A 54 -2.666 8.740 -1.046 1.00 0.00 O ATOM 804 CB ASP A 54 -0.352 7.755 -2.679 1.00 0.00 C ATOM 805 CG ASP A 54 -0.061 9.180 -2.253 1.00 0.00 C ATOM 806 OD1 ASP A 54 0.235 9.393 -1.058 1.00 0.00 O ATOM 807 OD2 ASP A 54 -0.127 10.082 -3.114 1.00 0.00 O ATOM 0 H ASP A 54 -0.980 5.373 -2.964 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.667 7.052 -0.653 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.588 7.238 -2.872 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.908 7.766 -3.616 1.00 0.00 H new ATOM 812 N ILE A 55 -3.586 6.845 -1.850 1.00 0.00 N ATOM 813 CA ILE A 55 -4.975 7.322 -1.758 1.00 0.00 C ATOM 814 C ILE A 55 -5.117 8.806 -2.115 1.00 0.00 C ATOM 815 O ILE A 55 -4.842 9.684 -1.299 1.00 0.00 O ATOM 816 CB ILE A 55 -5.563 7.071 -0.350 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.054 7.429 -0.305 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.796 7.829 0.719 1.00 0.00 C ATOM 819 CD1 ILE A 55 -7.356 8.884 0.006 1.00 0.00 C ATOM 0 H ILE A 55 -3.496 5.897 -2.215 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.538 6.747 -2.493 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.460 6.007 -0.139 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.501 7.178 -1.267 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.540 6.805 0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.238 7.628 1.695 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.755 7.506 0.718 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.844 8.898 0.512 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.435 9.038 0.016 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.944 9.140 0.982 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.906 9.520 -0.756 1.00 0.00 H new ATOM 831 N ARG A 56 -5.560 9.079 -3.337 1.00 0.00 N ATOM 832 CA ARG A 56 -5.742 10.457 -3.787 1.00 0.00 C ATOM 833 C ARG A 56 -6.932 10.583 -4.741 1.00 0.00 C ATOM 834 O ARG A 56 -6.853 11.270 -5.760 1.00 0.00 O ATOM 835 CB ARG A 56 -4.470 10.959 -4.470 1.00 0.00 C ATOM 836 CG ARG A 56 -4.055 10.113 -5.661 1.00 0.00 C ATOM 837 CD ARG A 56 -2.562 10.212 -5.929 1.00 0.00 C ATOM 838 NE ARG A 56 -1.997 8.922 -6.319 1.00 0.00 N ATOM 839 CZ ARG A 56 -2.355 8.259 -7.417 1.00 0.00 C ATOM 840 NH1 ARG A 56 -3.247 8.772 -8.253 1.00 0.00 N ATOM 841 NH2 ARG A 56 -1.821 7.075 -7.681 1.00 0.00 N ATOM 0 H ARG A 56 -5.799 8.371 -4.031 1.00 0.00 H new ATOM 0 HA ARG A 56 -5.948 11.070 -2.910 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.624 11.987 -4.799 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.658 10.975 -3.743 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.324 9.072 -5.479 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.605 10.435 -6.545 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.381 10.942 -6.718 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.055 10.576 -5.035 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.288 8.506 -5.716 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.665 9.682 -8.058 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.515 8.257 -9.092 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.135 6.671 -7.043 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.096 6.568 -8.522 1.00 0.00 H new ATOM 855 N MET A 57 -8.040 9.934 -4.392 1.00 0.00 N ATOM 856 CA MET A 57 -9.258 9.987 -5.198 1.00 0.00 C ATOM 857 C MET A 57 -9.094 9.337 -6.576 1.00 0.00 C ATOM 858 O MET A 57 -9.471 9.919 -7.593 1.00 0.00 O ATOM 859 CB MET A 57 -9.726 11.433 -5.355 1.00 0.00 C ATOM 860 CG MET A 57 -11.137 11.552 -5.905 1.00 0.00 C ATOM 861 SD MET A 57 -11.826 13.206 -5.702 1.00 0.00 S ATOM 862 CE MET A 57 -11.109 14.042 -7.114 1.00 0.00 C ATOM 0 H MET A 57 -8.120 9.362 -3.551 1.00 0.00 H new ATOM 0 HA MET A 57 -10.012 9.409 -4.663 1.00 0.00 H new ATOM 0 HB2 MET A 57 -9.678 11.930 -4.386 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.040 11.960 -6.018 1.00 0.00 H new ATOM 0 HG2 MET A 57 -11.133 11.292 -6.964 1.00 0.00 H new ATOM 0 HG3 MET A 57 -11.781 10.830 -5.402 1.00 0.00 H new ATOM 0 HE1 MET A 57 -11.441 15.080 -7.129 1.00 0.00 H new ATOM 0 HE2 MET A 57 -10.022 14.010 -7.042 1.00 0.00 H new ATOM 0 HE3 MET A 57 -11.427 13.546 -8.031 1.00 0.00 H new ATOM 872 N PRO A 58 -8.552 8.109 -6.626 1.00 0.00 N ATOM 873 CA PRO A 58 -8.369 7.373 -7.881 1.00 0.00 C ATOM 874 C PRO A 58 -9.700 6.870 -8.455 1.00 0.00 C ATOM 875 O PRO A 58 -10.300 7.527 -9.306 1.00 0.00 O ATOM 876 CB PRO A 58 -7.466 6.204 -7.477 1.00 0.00 C ATOM 877 CG PRO A 58 -7.744 5.994 -6.027 1.00 0.00 C ATOM 878 CD PRO A 58 -8.092 7.342 -5.461 1.00 0.00 C ATOM 0 HA PRO A 58 -7.944 7.995 -8.668 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.693 5.310 -8.057 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.415 6.438 -7.649 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.565 5.291 -5.887 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -6.874 5.574 -5.522 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -8.869 7.267 -4.700 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.229 7.812 -4.989 1.00 0.00 H new ATOM 886 N GLY A 59 -10.165 5.707 -7.986 1.00 0.00 N ATOM 887 CA GLY A 59 -11.421 5.155 -8.466 1.00 0.00 C ATOM 888 C GLY A 59 -12.570 5.410 -7.507 1.00 0.00 C ATOM 889 O GLY A 59 -13.724 5.529 -7.921 1.00 0.00 O ATOM 0 H GLY A 59 -9.691 5.141 -7.282 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.658 5.590 -9.437 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.309 4.081 -8.617 1.00 0.00 H new ATOM 893 N MET A 60 -12.245 5.504 -6.222 1.00 0.00 N ATOM 894 CA MET A 60 -13.237 5.758 -5.180 1.00 0.00 C ATOM 895 C MET A 60 -12.567 6.357 -3.956 1.00 0.00 C ATOM 896 O MET A 60 -12.452 5.706 -2.914 1.00 0.00 O ATOM 897 CB MET A 60 -13.975 4.476 -4.782 1.00 0.00 C ATOM 898 CG MET A 60 -15.060 4.706 -3.741 1.00 0.00 C ATOM 899 SD MET A 60 -16.721 4.645 -4.438 1.00 0.00 S ATOM 900 CE MET A 60 -17.422 6.150 -3.765 1.00 0.00 C ATOM 0 H MET A 60 -11.291 5.407 -5.873 1.00 0.00 H new ATOM 0 HA MET A 60 -13.966 6.461 -5.583 1.00 0.00 H new ATOM 0 HB2 MET A 60 -14.422 4.031 -5.671 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.255 3.756 -4.393 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.972 3.953 -2.958 1.00 0.00 H new ATOM 0 HG3 MET A 60 -14.904 5.676 -3.269 1.00 0.00 H new ATOM 0 HE1 MET A 60 -18.509 6.069 -3.746 1.00 0.00 H new ATOM 0 HE2 MET A 60 -17.052 6.302 -2.751 1.00 0.00 H new ATOM 0 HE3 MET A 60 -17.132 6.996 -4.388 1.00 0.00 H new ATOM 910 N ASP A 61 -12.111 7.596 -4.105 1.00 0.00 N ATOM 911 CA ASP A 61 -11.435 8.321 -3.034 1.00 0.00 C ATOM 912 C ASP A 61 -10.070 7.721 -2.712 1.00 0.00 C ATOM 913 O ASP A 61 -9.199 8.397 -2.167 1.00 0.00 O ATOM 914 CB ASP A 61 -12.304 8.344 -1.785 1.00 0.00 C ATOM 915 CG ASP A 61 -12.815 9.737 -1.474 1.00 0.00 C ATOM 916 OD1 ASP A 61 -12.041 10.542 -0.916 1.00 0.00 O ATOM 917 OD2 ASP A 61 -13.989 10.024 -1.791 1.00 0.00 O ATOM 0 H ASP A 61 -12.199 8.127 -4.972 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.272 9.341 -3.381 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.150 7.669 -1.919 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.730 7.971 -0.937 1.00 0.00 H new ATOM 922 N GLY A 62 -9.891 6.450 -3.047 1.00 0.00 N ATOM 923 CA GLY A 62 -8.639 5.782 -2.785 1.00 0.00 C ATOM 924 C GLY A 62 -8.851 4.404 -2.237 1.00 0.00 C ATOM 925 O GLY A 62 -8.016 3.523 -2.409 1.00 0.00 O ATOM 0 H GLY A 62 -10.598 5.870 -3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.059 5.722 -3.706 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.054 6.369 -2.077 1.00 0.00 H new ATOM 929 N LEU A 63 -9.982 4.209 -1.584 1.00 0.00 N ATOM 930 CA LEU A 63 -10.301 2.920 -1.028 1.00 0.00 C ATOM 931 C LEU A 63 -10.740 1.967 -2.131 1.00 0.00 C ATOM 932 O LEU A 63 -10.736 0.750 -1.949 1.00 0.00 O ATOM 933 CB LEU A 63 -11.375 3.037 0.046 1.00 0.00 C ATOM 934 CG LEU A 63 -11.235 4.238 0.984 1.00 0.00 C ATOM 935 CD1 LEU A 63 -12.009 5.440 0.456 1.00 0.00 C ATOM 936 CD2 LEU A 63 -11.694 3.866 2.379 1.00 0.00 C ATOM 0 H LEU A 63 -10.689 4.928 -1.429 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.404 2.518 -0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.349 3.089 -0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.367 2.126 0.645 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.183 4.520 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.892 6.278 1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.624 5.718 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -13.065 5.185 0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.590 4.728 3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.739 3.557 2.348 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.084 3.045 2.756 1.00 0.00 H new ATOM 948 N ALA A 64 -11.104 2.527 -3.285 1.00 0.00 N ATOM 949 CA ALA A 64 -11.525 1.715 -4.422 1.00 0.00 C ATOM 950 C ALA A 64 -10.473 0.663 -4.748 1.00 0.00 C ATOM 951 O ALA A 64 -10.798 -0.471 -5.099 1.00 0.00 O ATOM 952 CB ALA A 64 -11.761 2.595 -5.638 1.00 0.00 C ATOM 0 H ALA A 64 -11.115 3.533 -3.455 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.455 1.213 -4.157 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.075 1.977 -6.479 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.539 3.324 -5.414 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.839 3.116 -5.895 1.00 0.00 H new ATOM 958 N LEU A 65 -9.210 1.050 -4.630 1.00 0.00 N ATOM 959 CA LEU A 65 -8.108 0.146 -4.915 1.00 0.00 C ATOM 960 C LEU A 65 -8.168 -1.090 -4.031 1.00 0.00 C ATOM 961 O LEU A 65 -7.856 -2.194 -4.475 1.00 0.00 O ATOM 962 CB LEU A 65 -6.772 0.862 -4.732 1.00 0.00 C ATOM 963 CG LEU A 65 -6.487 1.378 -3.324 1.00 0.00 C ATOM 964 CD1 LEU A 65 -5.706 0.349 -2.524 1.00 0.00 C ATOM 965 CD2 LEU A 65 -5.727 2.696 -3.397 1.00 0.00 C ATOM 0 H LEU A 65 -8.925 1.985 -4.339 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.198 -0.176 -5.953 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -5.972 0.179 -5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.734 1.704 -5.423 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.435 1.550 -2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.513 0.736 -1.523 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.285 -0.572 -2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.759 0.143 -3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.528 3.057 -2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.783 2.543 -3.921 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.325 3.432 -3.934 1.00 0.00 H new ATOM 977 N LEU A 66 -8.579 -0.905 -2.783 1.00 0.00 N ATOM 978 CA LEU A 66 -8.683 -2.020 -1.853 1.00 0.00 C ATOM 979 C LEU A 66 -9.712 -3.028 -2.349 1.00 0.00 C ATOM 980 O LEU A 66 -9.479 -4.236 -2.315 1.00 0.00 O ATOM 981 CB LEU A 66 -9.060 -1.522 -0.458 1.00 0.00 C ATOM 982 CG LEU A 66 -8.097 -0.497 0.144 1.00 0.00 C ATOM 983 CD1 LEU A 66 -8.826 0.399 1.131 1.00 0.00 C ATOM 984 CD2 LEU A 66 -6.927 -1.198 0.822 1.00 0.00 C ATOM 0 H LEU A 66 -8.844 0.000 -2.394 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.712 -2.511 -1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.056 -1.080 -0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.121 -2.379 0.213 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.705 0.124 -0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.127 1.123 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.630 0.926 0.618 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.244 -0.208 1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.252 -0.454 1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.301 -1.842 1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.390 -1.800 0.089 1.00 0.00 H new ATOM 996 N LYS A 67 -10.850 -2.522 -2.818 1.00 0.00 N ATOM 997 CA LYS A 67 -11.916 -3.379 -3.333 1.00 0.00 C ATOM 998 C LYS A 67 -11.370 -4.332 -4.397 1.00 0.00 C ATOM 999 O LYS A 67 -11.439 -5.549 -4.251 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.046 -2.531 -3.918 1.00 0.00 C ATOM 1001 CG LYS A 67 -14.163 -2.244 -2.926 1.00 0.00 C ATOM 1002 CD LYS A 67 -15.286 -3.267 -3.035 1.00 0.00 C ATOM 1003 CE LYS A 67 -16.573 -2.630 -3.532 1.00 0.00 C ATOM 1004 NZ LYS A 67 -17.736 -3.550 -3.391 1.00 0.00 N ATOM 0 H LYS A 67 -11.058 -1.524 -2.852 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.312 -3.969 -2.506 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.634 -1.586 -4.273 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.463 -3.043 -4.785 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.761 -2.251 -1.913 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.561 -1.245 -3.105 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.988 -4.065 -3.715 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.458 -3.725 -2.061 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.764 -1.714 -2.973 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.458 -2.347 -4.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.595 -3.080 -3.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.565 -4.414 -3.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.861 -3.800 -2.389 1.00 0.00 H new ATOM 1018 N GLN A 68 -10.820 -3.770 -5.465 1.00 0.00 N ATOM 1019 CA GLN A 68 -10.252 -4.570 -6.544 1.00 0.00 C ATOM 1020 C GLN A 68 -9.190 -5.530 -6.017 1.00 0.00 C ATOM 1021 O GLN A 68 -9.069 -6.662 -6.486 1.00 0.00 O ATOM 1022 CB GLN A 68 -9.618 -3.647 -7.585 1.00 0.00 C ATOM 1023 CG GLN A 68 -10.599 -2.697 -8.246 1.00 0.00 C ATOM 1024 CD GLN A 68 -10.410 -1.247 -7.830 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -9.183 -0.751 -7.924 1.00 0.00 O flip ATOM 1026 NE2 GLN A 68 -11.363 -0.577 -7.437 1.00 0.00 N flip ATOM 0 H GLN A 68 -10.755 -2.762 -5.608 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.056 -5.153 -6.995 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.830 -3.065 -7.108 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.143 -4.256 -8.354 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.494 -2.773 -9.328 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.615 -3.008 -8.002 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.291 -0.996 -7.379 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -11.225 0.397 -7.169 1.00 0.00 H new ATOM 1035 N ILE A 69 -8.408 -5.055 -5.055 1.00 0.00 N ATOM 1036 CA ILE A 69 -7.329 -5.839 -4.466 1.00 0.00 C ATOM 1037 C ILE A 69 -7.842 -7.105 -3.781 1.00 0.00 C ATOM 1038 O ILE A 69 -7.193 -8.150 -3.821 1.00 0.00 O ATOM 1039 CB ILE A 69 -6.522 -4.970 -3.470 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -5.648 -3.974 -4.247 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -5.671 -5.821 -2.527 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -4.375 -4.579 -4.805 1.00 0.00 C ATOM 0 H ILE A 69 -8.503 -4.119 -4.662 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.675 -6.158 -5.277 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.229 -4.421 -2.848 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.231 -3.558 -5.068 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -5.387 -3.145 -3.589 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.122 -5.171 -1.846 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.317 -6.485 -1.953 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.966 -6.415 -3.109 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.812 -3.814 -5.340 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.769 -4.970 -3.988 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.627 -5.389 -5.490 1.00 0.00 H new ATOM 1054 N LYS A 70 -8.999 -7.001 -3.152 1.00 0.00 N ATOM 1055 CA LYS A 70 -9.595 -8.130 -2.452 1.00 0.00 C ATOM 1056 C LYS A 70 -10.272 -9.104 -3.408 1.00 0.00 C ATOM 1057 O LYS A 70 -10.454 -10.279 -3.088 1.00 0.00 O ATOM 1058 CB LYS A 70 -10.615 -7.636 -1.431 1.00 0.00 C ATOM 1059 CG LYS A 70 -11.846 -6.998 -2.057 1.00 0.00 C ATOM 1060 CD LYS A 70 -13.132 -7.505 -1.427 1.00 0.00 C ATOM 1061 CE LYS A 70 -14.306 -7.364 -2.384 1.00 0.00 C ATOM 1062 NZ LYS A 70 -15.445 -8.242 -2.003 1.00 0.00 N ATOM 0 H LYS A 70 -9.549 -6.143 -3.110 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.786 -8.659 -1.947 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.928 -8.474 -0.808 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.136 -6.911 -0.773 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.790 -5.915 -1.945 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.859 -7.208 -3.127 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.014 -8.551 -1.144 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.336 -6.948 -0.512 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.638 -6.326 -2.400 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.981 -7.610 -3.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.223 -8.115 -2.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.136 -9.235 -2.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.773 -7.991 -1.049 1.00 0.00 H new ATOM 1076 N GLN A 71 -10.677 -8.600 -4.563 1.00 0.00 N ATOM 1077 CA GLN A 71 -11.368 -9.415 -5.542 1.00 0.00 C ATOM 1078 C GLN A 71 -10.393 -10.261 -6.363 1.00 0.00 C ATOM 1079 O GLN A 71 -10.738 -11.351 -6.817 1.00 0.00 O ATOM 1080 CB GLN A 71 -12.234 -8.512 -6.436 1.00 0.00 C ATOM 1081 CG GLN A 71 -12.588 -9.103 -7.793 1.00 0.00 C ATOM 1082 CD GLN A 71 -12.004 -8.311 -8.947 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -10.839 -7.710 -8.732 1.00 0.00 O flip ATOM 1084 NE2 GLN A 71 -12.595 -8.242 -10.026 1.00 0.00 N flip ATOM 0 H GLN A 71 -10.538 -7.629 -4.843 1.00 0.00 H new ATOM 0 HA GLN A 71 -12.017 -10.118 -5.020 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.157 -8.279 -5.906 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -11.709 -7.570 -6.592 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -12.226 -10.130 -7.843 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -13.672 -9.142 -7.896 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -13.488 -8.719 -10.150 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -12.191 -7.708 -10.796 1.00 0.00 H new ATOM 1093 N ARG A 72 -9.182 -9.758 -6.553 1.00 0.00 N ATOM 1094 CA ARG A 72 -8.177 -10.483 -7.329 1.00 0.00 C ATOM 1095 C ARG A 72 -7.124 -11.135 -6.438 1.00 0.00 C ATOM 1096 O ARG A 72 -6.448 -12.074 -6.858 1.00 0.00 O ATOM 1097 CB ARG A 72 -7.492 -9.551 -8.330 1.00 0.00 C ATOM 1098 CG ARG A 72 -8.291 -9.337 -9.604 1.00 0.00 C ATOM 1099 CD ARG A 72 -7.389 -9.160 -10.813 1.00 0.00 C ATOM 1100 NE ARG A 72 -8.156 -9.081 -12.053 1.00 0.00 N ATOM 1101 CZ ARG A 72 -7.611 -9.111 -13.266 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -6.295 -9.214 -13.410 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -8.387 -9.036 -14.338 1.00 0.00 N ATOM 0 H ARG A 72 -8.870 -8.859 -6.186 1.00 0.00 H new ATOM 0 HA ARG A 72 -8.702 -11.273 -7.866 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.316 -8.586 -7.854 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.516 -9.962 -8.588 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.952 -10.188 -9.766 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.925 -8.458 -9.492 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.795 -8.254 -10.694 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.690 -9.994 -10.870 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.170 -8.998 -11.985 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.695 -9.271 -12.587 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.884 -9.236 -14.343 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -9.398 -8.956 -14.231 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.973 -9.059 -15.270 1.00 0.00 H new ATOM 1117 N HIS A 73 -6.973 -10.630 -5.221 1.00 0.00 N ATOM 1118 CA HIS A 73 -5.977 -11.165 -4.296 1.00 0.00 C ATOM 1119 C HIS A 73 -6.599 -11.493 -2.943 1.00 0.00 C ATOM 1120 O HIS A 73 -7.643 -10.951 -2.582 1.00 0.00 O ATOM 1121 CB HIS A 73 -4.836 -10.159 -4.144 1.00 0.00 C ATOM 1122 CG HIS A 73 -4.724 -9.253 -5.328 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -4.994 -7.938 -5.463 1.00 0.00 N flip ATOM 1124 CD2 HIS A 73 -4.363 -9.699 -6.582 1.00 0.00 C flip ATOM 1125 CE1 HIS A 73 -4.802 -7.615 -6.781 1.00 0.00 C flip ATOM 1126 NE2 HIS A 73 -4.421 -8.693 -7.434 1.00 0.00 N flip ATOM 0 H HIS A 73 -7.523 -9.855 -4.851 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.582 -12.096 -4.703 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -4.996 -9.563 -3.246 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -3.897 -10.695 -4.008 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.078 -10.711 -6.828 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.941 -6.635 -7.214 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -4.207 -8.742 -8.430 1.00 0.00 H new ATOM 1135 N PRO A 74 -5.975 -12.410 -2.182 1.00 0.00 N ATOM 1136 CA PRO A 74 -6.469 -12.836 -0.882 1.00 0.00 C ATOM 1137 C PRO A 74 -5.841 -12.087 0.287 1.00 0.00 C ATOM 1138 O PRO A 74 -4.733 -12.404 0.720 1.00 0.00 O ATOM 1139 CB PRO A 74 -6.050 -14.301 -0.852 1.00 0.00 C ATOM 1140 CG PRO A 74 -4.769 -14.349 -1.631 1.00 0.00 C ATOM 1141 CD PRO A 74 -4.743 -13.131 -2.533 1.00 0.00 C ATOM 0 HA PRO A 74 -7.538 -12.652 -0.771 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -5.905 -14.650 0.170 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -6.811 -14.939 -1.302 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.911 -14.348 -0.959 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.712 -15.264 -2.220 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.858 -12.520 -2.356 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -4.730 -13.413 -3.586 1.00 0.00 H new ATOM 1149 N MET A 75 -6.575 -11.121 0.814 1.00 0.00 N ATOM 1150 CA MET A 75 -6.127 -10.346 1.957 1.00 0.00 C ATOM 1151 C MET A 75 -4.770 -9.688 1.714 1.00 0.00 C ATOM 1152 O MET A 75 -3.938 -9.617 2.619 1.00 0.00 O ATOM 1153 CB MET A 75 -6.046 -11.261 3.169 1.00 0.00 C ATOM 1154 CG MET A 75 -7.393 -11.550 3.808 1.00 0.00 C ATOM 1155 SD MET A 75 -7.300 -11.660 5.606 1.00 0.00 S ATOM 1156 CE MET A 75 -8.582 -12.865 5.936 1.00 0.00 C ATOM 0 H MET A 75 -7.494 -10.853 0.463 1.00 0.00 H new ATOM 0 HA MET A 75 -6.846 -9.545 2.127 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.586 -12.203 2.872 1.00 0.00 H new ATOM 0 HB3 MET A 75 -5.391 -10.807 3.913 1.00 0.00 H new ATOM 0 HG2 MET A 75 -8.098 -10.765 3.532 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.786 -12.486 3.410 1.00 0.00 H new ATOM 0 HE1 MET A 75 -8.648 -13.041 7.010 1.00 0.00 H new ATOM 0 HE2 MET A 75 -9.538 -12.489 5.571 1.00 0.00 H new ATOM 0 HE3 MET A 75 -8.342 -13.800 5.429 1.00 0.00 H new ATOM 1166 N LEU A 76 -4.547 -9.204 0.501 1.00 0.00 N ATOM 1167 CA LEU A 76 -3.286 -8.549 0.170 1.00 0.00 C ATOM 1168 C LEU A 76 -3.064 -7.324 1.048 1.00 0.00 C ATOM 1169 O LEU A 76 -3.811 -6.351 0.960 1.00 0.00 O ATOM 1170 CB LEU A 76 -3.266 -8.130 -1.295 1.00 0.00 C ATOM 1171 CG LEU A 76 -1.892 -8.177 -1.960 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -2.015 -7.836 -3.434 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -0.929 -7.224 -1.263 1.00 0.00 C ATOM 0 H LEU A 76 -5.217 -9.251 -0.267 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.484 -9.265 0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.945 -8.776 -1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.656 -7.115 -1.373 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.492 -9.187 -1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.030 -7.872 -3.899 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.673 -8.556 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.431 -6.834 -3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.045 -7.270 -1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.316 -6.207 -1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.826 -7.512 -0.217 1.00 0.00 H new ATOM 1185 N PRO A 77 -2.037 -7.353 1.914 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.728 -6.232 2.810 1.00 0.00 C ATOM 1187 C PRO A 77 -1.515 -4.919 2.064 1.00 0.00 C ATOM 1188 O PRO A 77 -0.749 -4.853 1.104 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.431 -6.669 3.492 1.00 0.00 C ATOM 1190 CG PRO A 77 -0.443 -8.155 3.407 1.00 0.00 C ATOM 1191 CD PRO A 77 -1.103 -8.478 2.099 1.00 0.00 C ATOM 0 HA PRO A 77 -2.548 -6.033 3.500 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.441 -6.250 2.990 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.395 -6.332 4.528 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.569 -8.558 3.446 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.992 -8.591 4.242 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.380 -8.540 1.286 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.625 -9.434 2.135 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.200 -3.877 2.524 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.096 -2.553 1.924 1.00 0.00 C ATOM 1201 C VAL A 78 -2.021 -1.466 2.991 1.00 0.00 C ATOM 1202 O VAL A 78 -2.620 -1.582 4.062 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.287 -2.247 0.999 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -2.977 -1.052 0.110 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -3.639 -3.465 0.166 1.00 0.00 C ATOM 0 H VAL A 78 -2.839 -3.926 3.318 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.178 -2.557 1.336 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.150 -1.997 1.615 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.830 -0.849 -0.538 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.777 -0.179 0.731 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.101 -1.271 -0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.483 -3.231 -0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.781 -3.749 -0.444 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.906 -4.292 0.825 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.289 -0.404 2.687 1.00 0.00 N ATOM 1216 CA ILE A 79 -1.142 0.709 3.612 1.00 0.00 C ATOM 1217 C ILE A 79 -1.608 2.001 2.958 1.00 0.00 C ATOM 1218 O ILE A 79 -0.983 2.495 2.019 1.00 0.00 O ATOM 1219 CB ILE A 79 0.316 0.872 4.075 1.00 0.00 C ATOM 1220 CG1 ILE A 79 0.948 -0.492 4.375 1.00 0.00 C ATOM 1221 CG2 ILE A 79 0.382 1.766 5.300 1.00 0.00 C ATOM 1222 CD1 ILE A 79 2.347 -0.643 3.824 1.00 0.00 C ATOM 0 H ILE A 79 -0.787 -0.290 1.806 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.758 0.492 4.484 1.00 0.00 H new ATOM 0 HB ILE A 79 0.881 1.339 3.269 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.973 -0.642 5.454 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.316 -1.276 3.959 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.419 1.873 5.617 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.026 2.747 5.057 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.200 1.321 6.107 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.732 -1.632 4.074 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.326 -0.525 2.741 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.994 0.119 4.260 1.00 0.00 H new ATOM 1234 N ILE A 80 -2.720 2.535 3.441 1.00 0.00 N ATOM 1235 CA ILE A 80 -3.282 3.759 2.884 1.00 0.00 C ATOM 1236 C ILE A 80 -2.915 4.984 3.719 1.00 0.00 C ATOM 1237 O ILE A 80 -2.861 4.921 4.947 1.00 0.00 O ATOM 1238 CB ILE A 80 -4.814 3.660 2.756 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -5.222 2.261 2.287 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -5.323 4.709 1.788 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.671 1.901 0.926 1.00 0.00 C ATOM 0 H ILE A 80 -3.252 2.141 4.217 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.849 3.879 1.891 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.259 3.839 3.735 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.879 1.527 3.016 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -6.310 2.198 2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.407 4.631 1.704 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.058 5.701 2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.871 4.550 0.809 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.998 0.897 0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.035 2.614 0.186 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.582 1.932 0.955 1.00 0.00 H new ATOM 1253 N MET A 81 -2.653 6.095 3.033 1.00 0.00 N ATOM 1254 CA MET A 81 -2.275 7.345 3.692 1.00 0.00 C ATOM 1255 C MET A 81 -3.456 7.968 4.440 1.00 0.00 C ATOM 1256 O MET A 81 -3.523 7.917 5.663 1.00 0.00 O ATOM 1257 CB MET A 81 -1.726 8.333 2.657 1.00 0.00 C ATOM 1258 CG MET A 81 -1.506 9.737 3.198 1.00 0.00 C ATOM 1259 SD MET A 81 -0.840 10.863 1.957 1.00 0.00 S ATOM 1260 CE MET A 81 -1.537 12.417 2.507 1.00 0.00 C ATOM 0 H MET A 81 -2.696 6.155 2.016 1.00 0.00 H new ATOM 0 HA MET A 81 -1.501 7.118 4.426 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.781 7.951 2.271 1.00 0.00 H new ATOM 0 HB3 MET A 81 -2.417 8.383 1.815 1.00 0.00 H new ATOM 0 HG2 MET A 81 -2.452 10.131 3.570 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.823 9.692 4.046 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.018 13.242 2.018 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.596 12.452 2.251 1.00 0.00 H new ATOM 0 HE3 MET A 81 -1.422 12.505 3.587 1.00 0.00 H new ATOM 1270 N THR A 82 -4.375 8.574 3.704 1.00 0.00 N ATOM 1271 CA THR A 82 -5.531 9.222 4.313 1.00 0.00 C ATOM 1272 C THR A 82 -6.802 8.403 4.113 1.00 0.00 C ATOM 1273 O THR A 82 -6.968 7.725 3.100 1.00 0.00 O ATOM 1274 CB THR A 82 -5.722 10.618 3.719 1.00 0.00 C ATOM 1275 OG1 THR A 82 -4.472 11.260 3.531 1.00 0.00 O ATOM 1276 CG2 THR A 82 -6.577 11.523 4.580 1.00 0.00 C ATOM 0 H THR A 82 -4.345 8.632 2.686 1.00 0.00 H new ATOM 0 HA THR A 82 -5.342 9.300 5.384 1.00 0.00 H new ATOM 0 HB THR A 82 -6.231 10.459 2.768 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.619 12.201 3.302 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.672 12.497 4.101 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.566 11.081 4.703 1.00 0.00 H new ATOM 0 HG23 THR A 82 -6.109 11.644 5.557 1.00 0.00 H new ATOM 1284 N ALA A 83 -7.694 8.478 5.098 1.00 0.00 N ATOM 1285 CA ALA A 83 -8.958 7.754 5.053 1.00 0.00 C ATOM 1286 C ALA A 83 -10.140 8.722 5.024 1.00 0.00 C ATOM 1287 O ALA A 83 -10.992 8.703 5.911 1.00 0.00 O ATOM 1288 CB ALA A 83 -9.068 6.817 6.251 1.00 0.00 C ATOM 0 H ALA A 83 -7.562 9.037 5.941 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.983 7.162 4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.016 6.281 6.208 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.246 6.102 6.230 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -9.021 7.397 7.172 1.00 0.00 H new ATOM 1294 N HIS A 84 -10.185 9.580 4.010 1.00 0.00 N ATOM 1295 CA HIS A 84 -11.266 10.551 3.891 1.00 0.00 C ATOM 1296 C HIS A 84 -12.337 10.081 2.909 1.00 0.00 C ATOM 1297 O HIS A 84 -12.028 9.606 1.815 1.00 0.00 O ATOM 1298 CB HIS A 84 -10.719 11.913 3.460 1.00 0.00 C ATOM 1299 CG HIS A 84 -9.985 11.885 2.156 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -10.609 11.677 0.943 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -8.669 12.048 1.876 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -9.710 11.712 -0.024 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -8.526 11.936 0.515 1.00 0.00 N ATOM 0 H HIS A 84 -9.491 9.623 3.264 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.729 10.648 4.873 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -11.546 12.619 3.385 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.050 12.287 4.235 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -11.609 11.521 0.813 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -7.880 12.232 2.590 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -9.910 11.580 -1.077 1.00 0.00 H new ATOM 1312 N SER A 85 -13.598 10.234 3.305 1.00 0.00 N ATOM 1313 CA SER A 85 -14.726 9.845 2.461 1.00 0.00 C ATOM 1314 C SER A 85 -14.730 8.344 2.183 1.00 0.00 C ATOM 1315 O SER A 85 -13.701 7.758 1.846 1.00 0.00 O ATOM 1316 CB SER A 85 -14.684 10.615 1.143 1.00 0.00 C ATOM 1317 OG SER A 85 -15.905 10.479 0.432 1.00 0.00 O ATOM 0 H SER A 85 -13.866 10.626 4.208 1.00 0.00 H new ATOM 0 HA SER A 85 -15.642 10.090 2.999 1.00 0.00 H new ATOM 0 HB2 SER A 85 -14.490 11.669 1.340 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.860 10.249 0.530 1.00 0.00 H new ATOM 0 HG SER A 85 -15.715 10.291 -0.511 1.00 0.00 H new ATOM 1323 N ASP A 86 -15.903 7.731 2.321 1.00 0.00 N ATOM 1324 CA ASP A 86 -16.060 6.300 2.081 1.00 0.00 C ATOM 1325 C ASP A 86 -15.091 5.490 2.935 1.00 0.00 C ATOM 1326 O ASP A 86 -14.567 4.472 2.491 1.00 0.00 O ATOM 1327 CB ASP A 86 -15.839 5.981 0.602 1.00 0.00 C ATOM 1328 CG ASP A 86 -16.692 4.819 0.128 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -16.363 3.664 0.472 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -17.687 5.064 -0.585 1.00 0.00 O ATOM 0 H ASP A 86 -16.762 8.206 2.599 1.00 0.00 H new ATOM 0 HA ASP A 86 -17.077 6.024 2.359 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -16.067 6.864 0.005 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.787 5.748 0.437 1.00 0.00 H new ATOM 1335 N LEU A 87 -14.856 5.951 4.160 1.00 0.00 N ATOM 1336 CA LEU A 87 -13.947 5.268 5.074 1.00 0.00 C ATOM 1337 C LEU A 87 -14.317 3.798 5.238 1.00 0.00 C ATOM 1338 O LEU A 87 -13.474 2.972 5.583 1.00 0.00 O ATOM 1339 CB LEU A 87 -13.946 5.960 6.441 1.00 0.00 C ATOM 1340 CG LEU A 87 -12.563 6.347 6.962 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -12.666 6.996 8.334 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -11.650 5.132 7.013 1.00 0.00 C ATOM 0 H LEU A 87 -15.283 6.795 4.542 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.947 5.319 4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.560 6.859 6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.421 5.300 7.167 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.131 7.073 6.273 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.670 7.263 8.686 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -13.280 7.894 8.267 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.122 6.296 9.034 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.670 5.429 7.387 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.080 4.382 7.677 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.545 4.713 6.012 1.00 0.00 H new ATOM 1354 N ASP A 88 -15.581 3.476 4.993 1.00 0.00 N ATOM 1355 CA ASP A 88 -16.061 2.104 5.119 1.00 0.00 C ATOM 1356 C ASP A 88 -15.153 1.129 4.382 1.00 0.00 C ATOM 1357 O ASP A 88 -14.769 0.092 4.920 1.00 0.00 O ATOM 1358 CB ASP A 88 -17.486 1.987 4.579 1.00 0.00 C ATOM 1359 CG ASP A 88 -18.157 0.697 5.006 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -17.883 -0.350 4.382 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -18.956 0.734 5.965 1.00 0.00 O ATOM 0 H ASP A 88 -16.294 4.147 4.705 1.00 0.00 H new ATOM 0 HA ASP A 88 -16.053 1.848 6.178 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -18.076 2.834 4.929 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -17.466 2.041 3.491 1.00 0.00 H new ATOM 1366 N ALA A 89 -14.813 1.468 3.144 1.00 0.00 N ATOM 1367 CA ALA A 89 -13.953 0.620 2.336 1.00 0.00 C ATOM 1368 C ALA A 89 -12.570 0.475 2.965 1.00 0.00 C ATOM 1369 O ALA A 89 -11.839 -0.464 2.654 1.00 0.00 O ATOM 1370 CB ALA A 89 -13.850 1.172 0.922 1.00 0.00 C ATOM 0 H ALA A 89 -15.120 2.323 2.681 1.00 0.00 H new ATOM 0 HA ALA A 89 -14.399 -0.374 2.291 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.203 0.528 0.326 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.842 1.206 0.472 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.431 2.178 0.954 1.00 0.00 H new ATOM 1376 N ALA A 90 -12.219 1.402 3.856 1.00 0.00 N ATOM 1377 CA ALA A 90 -10.922 1.361 4.532 1.00 0.00 C ATOM 1378 C ALA A 90 -10.876 0.235 5.554 1.00 0.00 C ATOM 1379 O ALA A 90 -10.010 -0.638 5.491 1.00 0.00 O ATOM 1380 CB ALA A 90 -10.621 2.685 5.222 1.00 0.00 C ATOM 0 H ALA A 90 -12.811 2.187 4.126 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.164 1.180 3.770 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.651 2.626 5.716 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.603 3.485 4.482 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.393 2.893 5.963 1.00 0.00 H new ATOM 1386 N VAL A 91 -11.808 0.265 6.502 1.00 0.00 N ATOM 1387 CA VAL A 91 -11.861 -0.753 7.542 1.00 0.00 C ATOM 1388 C VAL A 91 -12.053 -2.138 6.949 1.00 0.00 C ATOM 1389 O VAL A 91 -11.283 -3.055 7.235 1.00 0.00 O ATOM 1390 CB VAL A 91 -12.971 -0.484 8.572 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -12.728 -1.312 9.826 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -13.042 1.001 8.906 1.00 0.00 C ATOM 0 H VAL A 91 -12.532 0.980 6.570 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.901 -0.708 8.056 1.00 0.00 H new ATOM 0 HB VAL A 91 -13.929 -0.778 8.143 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -13.518 -1.116 10.550 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -12.727 -2.371 9.568 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.764 -1.043 10.259 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -13.833 1.172 9.636 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -12.088 1.327 9.321 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.256 1.568 8.000 1.00 0.00 H new ATOM 1402 N SER A 92 -13.070 -2.287 6.108 1.00 0.00 N ATOM 1403 CA SER A 92 -13.327 -3.569 5.468 1.00 0.00 C ATOM 1404 C SER A 92 -12.107 -4.004 4.665 1.00 0.00 C ATOM 1405 O SER A 92 -11.916 -5.189 4.394 1.00 0.00 O ATOM 1406 CB SER A 92 -14.556 -3.490 4.561 1.00 0.00 C ATOM 1407 OG SER A 92 -14.329 -2.612 3.472 1.00 0.00 O ATOM 0 H SER A 92 -13.723 -1.545 5.856 1.00 0.00 H new ATOM 0 HA SER A 92 -13.525 -4.308 6.245 1.00 0.00 H new ATOM 0 HB2 SER A 92 -14.800 -4.484 4.186 1.00 0.00 H new ATOM 0 HB3 SER A 92 -15.415 -3.146 5.137 1.00 0.00 H new ATOM 0 HG SER A 92 -15.128 -2.579 2.906 1.00 0.00 H new ATOM 1413 N ALA A 93 -11.272 -3.032 4.299 1.00 0.00 N ATOM 1414 CA ALA A 93 -10.062 -3.312 3.546 1.00 0.00 C ATOM 1415 C ALA A 93 -9.160 -4.246 4.326 1.00 0.00 C ATOM 1416 O ALA A 93 -8.672 -5.243 3.803 1.00 0.00 O ATOM 1417 CB ALA A 93 -9.324 -2.024 3.220 1.00 0.00 C ATOM 0 H ALA A 93 -11.416 -2.045 4.514 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.345 -3.796 2.611 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -8.421 -2.255 2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.968 -1.376 2.625 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.054 -1.515 4.145 1.00 0.00 H new ATOM 1423 N TYR A 94 -8.945 -3.906 5.589 1.00 0.00 N ATOM 1424 CA TYR A 94 -8.098 -4.707 6.467 1.00 0.00 C ATOM 1425 C TYR A 94 -8.624 -6.129 6.548 1.00 0.00 C ATOM 1426 O TYR A 94 -7.867 -7.083 6.724 1.00 0.00 O ATOM 1427 CB TYR A 94 -8.042 -4.107 7.875 1.00 0.00 C ATOM 1428 CG TYR A 94 -8.006 -2.598 7.904 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -7.119 -1.891 7.107 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -8.857 -1.879 8.737 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -7.079 -0.511 7.137 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -8.821 -0.499 8.771 1.00 0.00 C ATOM 1433 CZ TYR A 94 -7.932 0.179 7.971 1.00 0.00 C ATOM 1434 OH TYR A 94 -7.899 1.555 8.005 1.00 0.00 O ATOM 0 H TYR A 94 -9.346 -3.079 6.031 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.092 -4.712 6.048 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -8.910 -4.449 8.438 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.159 -4.490 8.386 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.449 -2.428 6.452 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -9.557 -2.408 9.367 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.382 0.025 6.510 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -9.488 0.045 9.423 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.126 1.910 7.120 1.00 0.00 H new ATOM 1444 N GLN A 95 -9.934 -6.250 6.420 1.00 0.00 N ATOM 1445 CA GLN A 95 -10.596 -7.543 6.476 1.00 0.00 C ATOM 1446 C GLN A 95 -10.380 -8.304 5.175 1.00 0.00 C ATOM 1447 O GLN A 95 -10.245 -9.528 5.170 1.00 0.00 O ATOM 1448 CB GLN A 95 -12.094 -7.338 6.753 1.00 0.00 C ATOM 1449 CG GLN A 95 -12.989 -8.507 6.352 1.00 0.00 C ATOM 1450 CD GLN A 95 -14.251 -8.053 5.641 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -15.351 -8.504 5.961 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -14.098 -7.162 4.665 1.00 0.00 N ATOM 0 H GLN A 95 -10.565 -5.462 6.275 1.00 0.00 H new ATOM 0 HA GLN A 95 -10.168 -8.136 7.284 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -12.228 -7.145 7.817 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -12.428 -6.446 6.223 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.432 -9.181 5.702 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.261 -9.075 7.242 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.167 -6.815 4.433 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -14.911 -6.826 4.149 1.00 0.00 H new ATOM 1461 N GLN A 96 -10.369 -7.570 4.072 1.00 0.00 N ATOM 1462 CA GLN A 96 -10.195 -8.165 2.761 1.00 0.00 C ATOM 1463 C GLN A 96 -8.761 -8.028 2.240 1.00 0.00 C ATOM 1464 O GLN A 96 -8.458 -8.467 1.131 1.00 0.00 O ATOM 1465 CB GLN A 96 -11.166 -7.523 1.778 1.00 0.00 C ATOM 1466 CG GLN A 96 -10.893 -6.048 1.540 1.00 0.00 C ATOM 1467 CD GLN A 96 -12.079 -5.316 0.946 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -13.224 -5.545 1.336 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -11.810 -4.427 -0.003 1.00 0.00 N ATOM 0 H GLN A 96 -10.479 -6.556 4.062 1.00 0.00 H new ATOM 0 HA GLN A 96 -10.402 -9.231 2.855 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -11.113 -8.053 0.827 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -12.183 -7.641 2.153 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -10.618 -5.578 2.484 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.038 -5.945 0.872 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -10.846 -4.269 -0.295 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -12.568 -3.902 -0.439 1.00 0.00 H new ATOM 1478 N GLY A 97 -7.880 -7.419 3.033 1.00 0.00 N ATOM 1479 CA GLY A 97 -6.501 -7.253 2.607 1.00 0.00 C ATOM 1480 C GLY A 97 -6.004 -5.823 2.723 1.00 0.00 C ATOM 1481 O GLY A 97 -5.965 -5.090 1.735 1.00 0.00 O ATOM 0 H GLY A 97 -8.095 -7.041 3.955 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.862 -7.902 3.206 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -6.406 -7.580 1.572 1.00 0.00 H new ATOM 1485 N ALA A 98 -5.608 -5.438 3.929 1.00 0.00 N ATOM 1486 CA ALA A 98 -5.091 -4.101 4.185 1.00 0.00 C ATOM 1487 C ALA A 98 -4.485 -4.028 5.581 1.00 0.00 C ATOM 1488 O ALA A 98 -5.058 -4.538 6.544 1.00 0.00 O ATOM 1489 CB ALA A 98 -6.178 -3.056 4.018 1.00 0.00 C ATOM 0 H ALA A 98 -5.636 -6.040 4.752 1.00 0.00 H new ATOM 0 HA ALA A 98 -4.310 -3.891 3.454 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.765 -2.067 4.215 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.564 -3.092 2.999 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.987 -3.258 4.720 1.00 0.00 H new ATOM 1495 N PHE A 99 -3.321 -3.404 5.692 1.00 0.00 N ATOM 1496 CA PHE A 99 -2.654 -3.290 6.976 1.00 0.00 C ATOM 1497 C PHE A 99 -3.330 -2.251 7.861 1.00 0.00 C ATOM 1498 O PHE A 99 -3.689 -2.540 9.003 1.00 0.00 O ATOM 1499 CB PHE A 99 -1.180 -2.936 6.797 1.00 0.00 C ATOM 1500 CG PHE A 99 -0.404 -3.035 8.076 1.00 0.00 C ATOM 1501 CD1 PHE A 99 -0.345 -4.234 8.771 1.00 0.00 C ATOM 1502 CD2 PHE A 99 0.254 -1.934 8.592 1.00 0.00 C ATOM 1503 CE1 PHE A 99 0.356 -4.329 9.956 1.00 0.00 C ATOM 1504 CE2 PHE A 99 0.960 -2.025 9.777 1.00 0.00 C ATOM 1505 CZ PHE A 99 1.011 -3.223 10.460 1.00 0.00 C ATOM 0 H PHE A 99 -2.824 -2.972 4.913 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.726 -4.261 7.465 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -0.738 -3.601 6.056 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.099 -1.922 6.404 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.853 -5.103 8.380 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.216 -0.993 8.064 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.392 -5.268 10.489 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.472 -1.158 10.168 1.00 0.00 H new ATOM 0 HZ PHE A 99 1.562 -3.295 11.386 1.00 0.00 H new ATOM 1515 N ASP A 100 -3.497 -1.039 7.337 1.00 0.00 N ATOM 1516 CA ASP A 100 -4.130 0.030 8.106 1.00 0.00 C ATOM 1517 C ASP A 100 -4.213 1.331 7.312 1.00 0.00 C ATOM 1518 O ASP A 100 -3.902 1.374 6.122 1.00 0.00 O ATOM 1519 CB ASP A 100 -3.361 0.267 9.411 1.00 0.00 C ATOM 1520 CG ASP A 100 -4.267 0.671 10.558 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -5.221 -0.079 10.853 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -4.023 1.739 11.158 1.00 0.00 O ATOM 0 H ASP A 100 -3.207 -0.774 6.396 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.148 -0.288 8.332 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -2.823 -0.642 9.681 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -2.614 1.045 9.252 1.00 0.00 H new ATOM 1527 N TYR A 101 -4.639 2.384 7.999 1.00 0.00 N ATOM 1528 CA TYR A 101 -4.780 3.704 7.405 1.00 0.00 C ATOM 1529 C TYR A 101 -4.055 4.734 8.259 1.00 0.00 C ATOM 1530 O TYR A 101 -3.882 4.539 9.462 1.00 0.00 O ATOM 1531 CB TYR A 101 -6.260 4.086 7.291 1.00 0.00 C ATOM 1532 CG TYR A 101 -6.856 3.844 5.925 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -7.138 2.559 5.485 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -7.143 4.907 5.082 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -7.695 2.340 4.241 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -7.697 4.700 3.837 1.00 0.00 C ATOM 1537 CZ TYR A 101 -7.974 3.413 3.420 1.00 0.00 C ATOM 1538 OH TYR A 101 -8.530 3.199 2.179 1.00 0.00 O ATOM 0 H TYR A 101 -4.896 2.345 8.985 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.343 3.683 6.407 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -6.828 3.520 8.029 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -6.372 5.141 7.543 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -6.919 1.717 6.125 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.929 5.915 5.407 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -7.911 1.334 3.912 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.913 5.539 3.192 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.361 3.976 1.606 1.00 0.00 H new ATOM 1548 N LEU A 102 -3.632 5.827 7.643 1.00 0.00 N ATOM 1549 CA LEU A 102 -2.929 6.872 8.371 1.00 0.00 C ATOM 1550 C LEU A 102 -3.863 8.044 8.665 1.00 0.00 C ATOM 1551 O LEU A 102 -4.458 8.618 7.753 1.00 0.00 O ATOM 1552 CB LEU A 102 -1.719 7.355 7.573 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.409 6.646 7.888 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -0.530 5.164 7.616 1.00 0.00 C ATOM 1555 CD2 LEU A 102 0.713 7.225 7.058 1.00 0.00 C ATOM 0 H LEU A 102 -3.762 6.013 6.649 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.584 6.456 9.317 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.933 7.234 6.511 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.588 8.422 7.752 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.186 6.794 8.944 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.416 4.673 7.847 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.319 4.743 8.239 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.774 5.006 6.566 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.644 6.709 7.294 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.485 7.098 6.000 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.820 8.286 7.281 1.00 0.00 H new ATOM 1567 N PRO A 103 -4.011 8.412 9.948 1.00 0.00 N ATOM 1568 CA PRO A 103 -4.883 9.516 10.346 1.00 0.00 C ATOM 1569 C PRO A 103 -4.351 10.869 9.887 1.00 0.00 C ATOM 1570 O PRO A 103 -4.956 11.531 9.044 1.00 0.00 O ATOM 1571 CB PRO A 103 -4.906 9.435 11.876 1.00 0.00 C ATOM 1572 CG PRO A 103 -3.678 8.681 12.259 1.00 0.00 C ATOM 1573 CD PRO A 103 -3.344 7.778 11.102 1.00 0.00 C ATOM 0 HA PRO A 103 -5.871 9.432 9.894 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.909 10.430 12.321 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.803 8.926 12.228 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -2.854 9.364 12.467 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -3.848 8.101 13.166 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.267 7.706 10.950 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -3.711 6.765 11.268 1.00 0.00 H new ATOM 1581 N LYS A 104 -3.222 11.278 10.452 1.00 0.00 N ATOM 1582 CA LYS A 104 -2.611 12.558 10.110 1.00 0.00 C ATOM 1583 C LYS A 104 -1.202 12.388 9.526 1.00 0.00 C ATOM 1584 O LYS A 104 -0.942 12.828 8.406 1.00 0.00 O ATOM 1585 CB LYS A 104 -2.574 13.472 11.338 1.00 0.00 C ATOM 1586 CG LYS A 104 -3.952 13.789 11.898 1.00 0.00 C ATOM 1587 CD LYS A 104 -4.075 13.378 13.357 1.00 0.00 C ATOM 1588 CE LYS A 104 -5.451 13.704 13.919 1.00 0.00 C ATOM 1589 NZ LYS A 104 -6.250 12.477 14.194 1.00 0.00 N ATOM 0 H LYS A 104 -2.709 10.741 11.151 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.227 13.019 9.338 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.974 12.999 12.116 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -2.075 14.404 11.073 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.146 14.857 11.803 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.711 13.274 11.310 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.888 12.308 13.451 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.312 13.888 13.944 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.340 14.277 14.839 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.990 14.336 13.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -7.179 12.746 14.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.380 11.942 13.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.750 11.885 14.887 1.00 0.00 H new ATOM 1603 N PRO A 105 -0.262 11.761 10.267 1.00 0.00 N ATOM 1604 CA PRO A 105 1.115 11.566 9.787 1.00 0.00 C ATOM 1605 C PRO A 105 1.179 10.758 8.493 1.00 0.00 C ATOM 1606 O PRO A 105 0.220 10.082 8.127 1.00 0.00 O ATOM 1607 CB PRO A 105 1.797 10.795 10.927 1.00 0.00 C ATOM 1608 CG PRO A 105 0.682 10.224 11.731 1.00 0.00 C ATOM 1609 CD PRO A 105 -0.449 11.201 11.616 1.00 0.00 C ATOM 0 HA PRO A 105 1.592 12.518 9.553 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.445 10.010 10.539 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.421 11.454 11.531 1.00 0.00 H new ATOM 0 HG2 PRO A 105 0.391 9.243 11.354 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.979 10.091 12.771 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.418 10.712 11.720 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -0.397 11.972 12.385 1.00 0.00 H new ATOM 1617 N PHE A 106 2.323 10.832 7.814 1.00 0.00 N ATOM 1618 CA PHE A 106 2.534 10.107 6.563 1.00 0.00 C ATOM 1619 C PHE A 106 4.022 10.118 6.188 1.00 0.00 C ATOM 1620 O PHE A 106 4.822 9.453 6.841 1.00 0.00 O ATOM 1621 CB PHE A 106 1.670 10.701 5.438 1.00 0.00 C ATOM 1622 CG PHE A 106 1.813 9.983 4.122 1.00 0.00 C ATOM 1623 CD1 PHE A 106 1.568 8.625 4.029 1.00 0.00 C ATOM 1624 CD2 PHE A 106 2.185 10.669 2.977 1.00 0.00 C ATOM 1625 CE1 PHE A 106 1.693 7.960 2.826 1.00 0.00 C ATOM 1626 CE2 PHE A 106 2.315 10.009 1.769 1.00 0.00 C ATOM 1627 CZ PHE A 106 2.067 8.652 1.693 1.00 0.00 C ATOM 0 H PHE A 106 3.122 11.391 8.112 1.00 0.00 H new ATOM 0 HA PHE A 106 2.227 9.070 6.703 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.624 10.676 5.744 1.00 0.00 H new ATOM 0 HB3 PHE A 106 1.937 11.749 5.301 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.274 8.076 4.912 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.375 11.731 3.029 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.498 6.899 2.772 1.00 0.00 H new ATOM 0 HE2 PHE A 106 2.610 10.554 0.885 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.166 8.135 0.750 1.00 0.00 H new ATOM 1637 N ASP A 107 4.399 10.873 5.147 1.00 0.00 N ATOM 1638 CA ASP A 107 5.797 10.946 4.715 1.00 0.00 C ATOM 1639 C ASP A 107 6.451 9.562 4.714 1.00 0.00 C ATOM 1640 O ASP A 107 5.835 8.574 5.100 1.00 0.00 O ATOM 1641 CB ASP A 107 6.579 11.905 5.614 1.00 0.00 C ATOM 1642 CG ASP A 107 6.671 11.417 7.046 1.00 0.00 C ATOM 1643 OD1 ASP A 107 7.471 10.497 7.307 1.00 0.00 O ATOM 1644 OD2 ASP A 107 5.942 11.956 7.905 1.00 0.00 O ATOM 0 H ASP A 107 3.757 11.439 4.592 1.00 0.00 H new ATOM 0 HA ASP A 107 5.815 11.325 3.693 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.584 12.035 5.213 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.100 12.884 5.598 1.00 0.00 H new ATOM 1649 N ILE A 108 7.698 9.482 4.275 1.00 0.00 N ATOM 1650 CA ILE A 108 8.391 8.201 4.238 1.00 0.00 C ATOM 1651 C ILE A 108 8.658 7.678 5.639 1.00 0.00 C ATOM 1652 O ILE A 108 8.547 6.481 5.903 1.00 0.00 O ATOM 1653 CB ILE A 108 9.704 8.286 3.431 1.00 0.00 C ATOM 1654 CG1 ILE A 108 9.577 7.450 2.166 1.00 0.00 C ATOM 1655 CG2 ILE A 108 10.900 7.821 4.247 1.00 0.00 C ATOM 1656 CD1 ILE A 108 8.474 7.923 1.247 1.00 0.00 C ATOM 0 H ILE A 108 8.245 10.276 3.943 1.00 0.00 H new ATOM 0 HA ILE A 108 7.733 7.496 3.730 1.00 0.00 H new ATOM 0 HB ILE A 108 9.873 9.330 3.169 1.00 0.00 H new ATOM 0 HG12 ILE A 108 10.524 7.472 1.627 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.391 6.412 2.442 1.00 0.00 H new ATOM 0 HG21 ILE A 108 11.804 7.896 3.643 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.002 8.448 5.133 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.752 6.785 4.551 1.00 0.00 H new ATOM 0 HD11 ILE A 108 8.437 7.285 0.364 1.00 0.00 H new ATOM 0 HD12 ILE A 108 7.519 7.875 1.770 1.00 0.00 H new ATOM 0 HD13 ILE A 108 8.670 8.951 0.943 1.00 0.00 H new ATOM 1668 N ASP A 109 9.016 8.579 6.530 1.00 0.00 N ATOM 1669 CA ASP A 109 9.306 8.207 7.908 1.00 0.00 C ATOM 1670 C ASP A 109 8.192 7.344 8.494 1.00 0.00 C ATOM 1671 O ASP A 109 8.438 6.221 8.925 1.00 0.00 O ATOM 1672 CB ASP A 109 9.514 9.451 8.771 1.00 0.00 C ATOM 1673 CG ASP A 109 10.505 9.210 9.894 1.00 0.00 C ATOM 1674 OD1 ASP A 109 11.588 8.650 9.620 1.00 0.00 O ATOM 1675 OD2 ASP A 109 10.198 9.577 11.047 1.00 0.00 O ATOM 0 H ASP A 109 9.114 9.574 6.330 1.00 0.00 H new ATOM 0 HA ASP A 109 10.226 7.622 7.905 1.00 0.00 H new ATOM 0 HB2 ASP A 109 9.869 10.270 8.145 1.00 0.00 H new ATOM 0 HB3 ASP A 109 8.558 9.763 9.193 1.00 0.00 H new ATOM 1680 N GLU A 110 6.969 7.871 8.512 1.00 0.00 N ATOM 1681 CA GLU A 110 5.832 7.136 9.054 1.00 0.00 C ATOM 1682 C GLU A 110 5.326 6.083 8.079 1.00 0.00 C ATOM 1683 O GLU A 110 4.884 5.011 8.492 1.00 0.00 O ATOM 1684 CB GLU A 110 4.697 8.087 9.441 1.00 0.00 C ATOM 1685 CG GLU A 110 5.112 9.155 10.440 1.00 0.00 C ATOM 1686 CD GLU A 110 4.385 9.029 11.764 1.00 0.00 C ATOM 1687 OE1 GLU A 110 3.886 7.924 12.065 1.00 0.00 O ATOM 1688 OE2 GLU A 110 4.314 10.035 12.501 1.00 0.00 O ATOM 0 H GLU A 110 6.742 8.801 8.159 1.00 0.00 H new ATOM 0 HA GLU A 110 6.180 6.624 9.951 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.317 8.571 8.541 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.876 7.507 9.862 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.186 9.089 10.612 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.917 10.140 10.015 1.00 0.00 H new ATOM 1695 N ALA A 111 5.401 6.377 6.788 1.00 0.00 N ATOM 1696 CA ALA A 111 4.955 5.427 5.778 1.00 0.00 C ATOM 1697 C ALA A 111 5.829 4.184 5.820 1.00 0.00 C ATOM 1698 O ALA A 111 5.342 3.080 6.062 1.00 0.00 O ATOM 1699 CB ALA A 111 4.974 6.045 4.387 1.00 0.00 C ATOM 0 H ALA A 111 5.762 7.256 6.418 1.00 0.00 H new ATOM 0 HA ALA A 111 3.925 5.150 6.000 1.00 0.00 H new ATOM 0 HB1 ALA A 111 4.636 5.309 3.657 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.311 6.910 4.364 1.00 0.00 H new ATOM 0 HB3 ALA A 111 5.989 6.359 4.142 1.00 0.00 H new ATOM 1705 N VAL A 112 7.126 4.374 5.604 1.00 0.00 N ATOM 1706 CA VAL A 112 8.064 3.262 5.644 1.00 0.00 C ATOM 1707 C VAL A 112 8.037 2.589 7.013 1.00 0.00 C ATOM 1708 O VAL A 112 8.272 1.390 7.143 1.00 0.00 O ATOM 1709 CB VAL A 112 9.504 3.702 5.338 1.00 0.00 C ATOM 1710 CG1 VAL A 112 10.431 2.495 5.345 1.00 0.00 C ATOM 1711 CG2 VAL A 112 9.578 4.432 4.005 1.00 0.00 C ATOM 0 H VAL A 112 7.548 5.280 5.401 1.00 0.00 H new ATOM 0 HA VAL A 112 7.747 2.561 4.872 1.00 0.00 H new ATOM 0 HB VAL A 112 9.827 4.395 6.115 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.449 2.817 5.127 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.403 2.020 6.326 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.106 1.782 4.587 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.608 4.733 3.812 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.238 3.770 3.208 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.942 5.316 4.039 1.00 0.00 H new ATOM 1721 N ALA A 113 7.745 3.373 8.031 1.00 0.00 N ATOM 1722 CA ALA A 113 7.673 2.854 9.386 1.00 0.00 C ATOM 1723 C ALA A 113 6.522 1.868 9.509 1.00 0.00 C ATOM 1724 O ALA A 113 6.670 0.774 10.053 1.00 0.00 O ATOM 1725 CB ALA A 113 7.489 3.986 10.376 1.00 0.00 C ATOM 0 H ALA A 113 7.553 4.371 7.948 1.00 0.00 H new ATOM 0 HA ALA A 113 8.608 2.340 9.610 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.437 3.581 11.387 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.332 4.673 10.304 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.566 4.520 10.151 1.00 0.00 H new ATOM 1731 N LEU A 114 5.369 2.279 8.999 1.00 0.00 N ATOM 1732 CA LEU A 114 4.170 1.460 9.042 1.00 0.00 C ATOM 1733 C LEU A 114 4.246 0.301 8.049 1.00 0.00 C ATOM 1734 O LEU A 114 3.538 -0.696 8.200 1.00 0.00 O ATOM 1735 CB LEU A 114 2.941 2.327 8.754 1.00 0.00 C ATOM 1736 CG LEU A 114 1.592 1.613 8.849 1.00 0.00 C ATOM 1737 CD1 LEU A 114 1.217 1.362 10.297 1.00 0.00 C ATOM 1738 CD2 LEU A 114 0.510 2.435 8.175 1.00 0.00 C ATOM 0 H LEU A 114 5.241 3.184 8.547 1.00 0.00 H new ATOM 0 HA LEU A 114 4.086 1.032 10.041 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.938 3.165 9.451 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.041 2.746 7.753 1.00 0.00 H new ATOM 0 HG LEU A 114 1.681 0.654 8.339 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.254 0.853 10.341 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.978 0.739 10.767 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.149 2.313 10.825 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.444 1.913 8.251 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.433 3.406 8.664 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.763 2.577 7.124 1.00 0.00 H new ATOM 1750 N VAL A 115 5.099 0.431 7.034 1.00 0.00 N ATOM 1751 CA VAL A 115 5.241 -0.622 6.030 1.00 0.00 C ATOM 1752 C VAL A 115 6.120 -1.767 6.533 1.00 0.00 C ATOM 1753 O VAL A 115 5.768 -2.938 6.396 1.00 0.00 O ATOM 1754 CB VAL A 115 5.800 -0.086 4.691 1.00 0.00 C ATOM 1755 CG1 VAL A 115 7.288 0.191 4.787 1.00 0.00 C ATOM 1756 CG2 VAL A 115 5.525 -1.066 3.565 1.00 0.00 C ATOM 0 H VAL A 115 5.696 1.245 6.886 1.00 0.00 H new ATOM 0 HA VAL A 115 4.236 -1.003 5.850 1.00 0.00 H new ATOM 0 HB VAL A 115 5.291 0.853 4.474 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.651 0.566 3.830 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.470 0.936 5.562 1.00 0.00 H new ATOM 0 HG13 VAL A 115 7.814 -0.730 5.038 1.00 0.00 H new ATOM 0 HG21 VAL A 115 5.926 -0.670 2.632 1.00 0.00 H new ATOM 0 HG22 VAL A 115 6.002 -2.020 3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.450 -1.212 3.464 1.00 0.00 H new ATOM 1766 N GLU A 116 7.265 -1.419 7.112 1.00 0.00 N ATOM 1767 CA GLU A 116 8.195 -2.414 7.630 1.00 0.00 C ATOM 1768 C GLU A 116 7.606 -3.131 8.835 1.00 0.00 C ATOM 1769 O GLU A 116 7.644 -4.358 8.919 1.00 0.00 O ATOM 1770 CB GLU A 116 9.523 -1.754 8.005 1.00 0.00 C ATOM 1771 CG GLU A 116 10.296 -1.234 6.803 1.00 0.00 C ATOM 1772 CD GLU A 116 11.754 -0.959 7.121 1.00 0.00 C ATOM 1773 OE1 GLU A 116 12.453 -1.897 7.559 1.00 0.00 O ATOM 1774 OE2 GLU A 116 12.196 0.192 6.928 1.00 0.00 O ATOM 0 H GLU A 116 7.571 -0.454 7.234 1.00 0.00 H new ATOM 0 HA GLU A 116 8.375 -3.151 6.848 1.00 0.00 H new ATOM 0 HB2 GLU A 116 9.330 -0.928 8.689 1.00 0.00 H new ATOM 0 HB3 GLU A 116 10.140 -2.475 8.541 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.236 -1.962 5.994 1.00 0.00 H new ATOM 0 HG3 GLU A 116 9.827 -0.318 6.443 1.00 0.00 H new ATOM 1781 N ARG A 117 7.048 -2.359 9.762 1.00 0.00 N ATOM 1782 CA ARG A 117 6.440 -2.931 10.953 1.00 0.00 C ATOM 1783 C ARG A 117 5.285 -3.853 10.575 1.00 0.00 C ATOM 1784 O ARG A 117 4.926 -4.763 11.324 1.00 0.00 O ATOM 1785 CB ARG A 117 5.951 -1.823 11.886 1.00 0.00 C ATOM 1786 CG ARG A 117 7.078 -1.022 12.519 1.00 0.00 C ATOM 1787 CD ARG A 117 6.571 -0.156 13.661 1.00 0.00 C ATOM 1788 NE ARG A 117 6.191 -0.953 14.824 1.00 0.00 N ATOM 1789 CZ ARG A 117 5.179 -0.654 15.637 1.00 0.00 C ATOM 1790 NH1 ARG A 117 4.441 0.430 15.427 1.00 0.00 N ATOM 1791 NH2 ARG A 117 4.905 -1.441 16.667 1.00 0.00 N ATOM 0 H ARG A 117 7.005 -1.341 9.710 1.00 0.00 H new ATOM 0 HA ARG A 117 7.194 -3.519 11.476 1.00 0.00 H new ATOM 0 HB2 ARG A 117 5.305 -1.147 11.326 1.00 0.00 H new ATOM 0 HB3 ARG A 117 5.343 -2.265 12.675 1.00 0.00 H new ATOM 0 HG2 ARG A 117 7.846 -1.701 12.889 1.00 0.00 H new ATOM 0 HG3 ARG A 117 7.547 -0.392 11.763 1.00 0.00 H new ATOM 0 HD2 ARG A 117 7.345 0.557 13.947 1.00 0.00 H new ATOM 0 HD3 ARG A 117 5.712 0.424 13.323 1.00 0.00 H new ATOM 0 HE ARG A 117 6.735 -1.792 15.027 1.00 0.00 H new ATOM 0 HH11 ARG A 117 4.647 1.042 14.638 1.00 0.00 H new ATOM 0 HH12 ARG A 117 3.668 0.650 16.055 1.00 0.00 H new ATOM 0 HH21 ARG A 117 5.469 -2.274 16.836 1.00 0.00 H new ATOM 0 HH22 ARG A 117 4.131 -1.214 17.291 1.00 0.00 H new ATOM 1805 N ALA A 118 4.712 -3.615 9.400 1.00 0.00 N ATOM 1806 CA ALA A 118 3.604 -4.422 8.909 1.00 0.00 C ATOM 1807 C ALA A 118 4.077 -5.813 8.513 1.00 0.00 C ATOM 1808 O ALA A 118 3.469 -6.817 8.882 1.00 0.00 O ATOM 1809 CB ALA A 118 2.931 -3.740 7.727 1.00 0.00 C ATOM 0 H ALA A 118 4.999 -2.867 8.769 1.00 0.00 H new ATOM 0 HA ALA A 118 2.878 -4.524 9.716 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.105 -4.357 7.373 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.550 -2.767 8.037 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.655 -3.607 6.923 1.00 0.00 H new ATOM 1815 N ILE A 119 5.167 -5.864 7.756 1.00 0.00 N ATOM 1816 CA ILE A 119 5.725 -7.130 7.306 1.00 0.00 C ATOM 1817 C ILE A 119 6.185 -7.978 8.486 1.00 0.00 C ATOM 1818 O ILE A 119 6.158 -9.208 8.432 1.00 0.00 O ATOM 1819 CB ILE A 119 6.918 -6.908 6.359 1.00 0.00 C ATOM 1820 CG1 ILE A 119 6.575 -5.891 5.274 1.00 0.00 C ATOM 1821 CG2 ILE A 119 7.351 -8.221 5.729 1.00 0.00 C ATOM 1822 CD1 ILE A 119 7.737 -4.989 4.940 1.00 0.00 C ATOM 0 H ILE A 119 5.681 -5.041 7.442 1.00 0.00 H new ATOM 0 HA ILE A 119 4.933 -7.653 6.771 1.00 0.00 H new ATOM 0 HB ILE A 119 7.745 -6.512 6.949 1.00 0.00 H new ATOM 0 HG12 ILE A 119 6.258 -6.418 4.374 1.00 0.00 H new ATOM 0 HG13 ILE A 119 5.731 -5.284 5.603 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.195 -8.044 5.063 1.00 0.00 H new ATOM 0 HG22 ILE A 119 7.646 -8.920 6.511 1.00 0.00 H new ATOM 0 HG23 ILE A 119 6.522 -8.642 5.160 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.439 -4.285 4.163 1.00 0.00 H new ATOM 0 HD12 ILE A 119 8.039 -4.439 5.832 1.00 0.00 H new ATOM 0 HD13 ILE A 119 8.574 -5.590 4.584 1.00 0.00 H new ATOM 1834 N SER A 120 6.618 -7.307 9.543 1.00 0.00 N ATOM 1835 CA SER A 120 7.102 -7.981 10.741 1.00 0.00 C ATOM 1836 C SER A 120 5.952 -8.568 11.553 1.00 0.00 C ATOM 1837 O SER A 120 5.977 -9.741 11.924 1.00 0.00 O ATOM 1838 CB SER A 120 7.902 -7.007 11.605 1.00 0.00 C ATOM 1839 OG SER A 120 8.295 -7.611 12.826 1.00 0.00 O ATOM 0 H SER A 120 6.644 -6.289 9.596 1.00 0.00 H new ATOM 0 HA SER A 120 7.747 -8.801 10.425 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.785 -6.674 11.060 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.301 -6.121 11.811 1.00 0.00 H new ATOM 0 HG SER A 120 8.807 -6.967 13.360 1.00 0.00 H new ATOM 1845 N HIS A 121 4.949 -7.743 11.835 1.00 0.00 N ATOM 1846 CA HIS A 121 3.797 -8.180 12.614 1.00 0.00 C ATOM 1847 C HIS A 121 2.948 -9.179 11.838 1.00 0.00 C ATOM 1848 O HIS A 121 2.230 -9.988 12.427 1.00 0.00 O ATOM 1849 CB HIS A 121 2.946 -6.977 13.020 1.00 0.00 C ATOM 1850 CG HIS A 121 3.500 -6.225 14.188 1.00 0.00 C ATOM 1851 ND1 HIS A 121 3.875 -4.901 14.120 1.00 0.00 N ATOM 1852 CD2 HIS A 121 3.748 -6.618 15.460 1.00 0.00 C ATOM 1853 CE1 HIS A 121 4.332 -4.513 15.295 1.00 0.00 C ATOM 1854 NE2 HIS A 121 4.265 -5.536 16.127 1.00 0.00 N ATOM 0 H HIS A 121 4.911 -6.769 11.536 1.00 0.00 H new ATOM 0 HA HIS A 121 4.170 -8.676 13.510 1.00 0.00 H new ATOM 0 HB2 HIS A 121 2.858 -6.300 12.170 1.00 0.00 H new ATOM 0 HB3 HIS A 121 1.939 -7.318 13.261 1.00 0.00 H new ATOM 0 HD1 HIS A 121 3.809 -4.312 13.290 1.00 0.00 H new ATOM 0 HD2 HIS A 121 3.572 -7.600 15.873 1.00 0.00 H new ATOM 0 HE1 HIS A 121 4.699 -3.526 15.536 1.00 0.00 H new