USER MOD reduce.3.24.130724 H: found=0, std=0, add=899, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 899 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 98 GLN :FLIP amide:sc= -0.201 F(o=-2!,f=-0.2) USER MOD Set 1.2: A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 54 GLN :FLIP amide:sc= -0.746 F(o=-3.7!,f=-1.1) USER MOD Set 2.2: A 55 ASN :FLIP amide:sc= -0.309 F(o=-1.7,f=-1.1) USER MOD Set 3.1: A 43 CYS SG : rot 101:sc= -12! USER MOD Set 3.2: A 97 GLN :FLIP amide:sc= -3.15! C(o=-21!,f=-15!) USER MOD Set 4.1: A 29 SER OG : rot 114:sc= -2.31! USER MOD Set 4.2: A 33 SER OG : rot -133:sc= 0.378 USER MOD Set 5.1: A 26 LYS NZ :NH3+ -134:sc= 0.378 (180deg=0) USER MOD Set 5.2: A 30 CYS SG : rot -25:sc= 0.363 USER MOD Set 6.1: A 11 GLN : amide:sc= -0.111 X(o=-1.2,f=-0.69) USER MOD Set 6.2: A 15 ASN : amide:sc= -1.07 X(o=-1.2,f=-0.69) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= -0.163 (180deg=-0.188) USER MOD Single : A 2 SER OG : rot 51:sc= 0.296 USER MOD Single : A 3 THR OG1 : rot -150:sc= -0.0296 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.00542 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN :FLIP amide:sc= -0.0771 F(o=-4.7!,f=-0.077) USER MOD Single : A 20 TYR OH : rot 180:sc= -0.964 USER MOD Single : A 21 MET CE :methyl 146:sc= -1.25 (180deg=-4.86!) USER MOD Single : A 22 LYS NZ :NH3+ 148:sc= 1.17 (180deg=0.487) USER MOD Single : A 24 SER OG : rot 150:sc= -0.861 USER MOD Single : A 35 GLN :FLIP amide:sc= -1.74 F(o=-6!,f=-1.7) USER MOD Single : A 38 GLN :FLIP amide:sc= -1.11 F(o=-4.1!,f=-1.1) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -110:sc= 2.07 (180deg=0.614) USER MOD Single : A 65 TYR OH : rot -57:sc= -1.54! USER MOD Single : A 67 ASN : amide:sc= 0.553 K(o=0.55,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0176 USER MOD Single : A 73 GLN : amide:sc= -5.76! C(o=-5.8!,f=-7.5!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0.436 USER MOD Single : A 90 MET CE :methyl -174:sc= -0.708 (180deg=-0.779) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.0417 K(o=-0.042,f=-3.2!) USER MOD Single : A 103 THR OG1 : rot 80:sc= -0.748 USER MOD Single : A 106 LYS NZ :NH3+ 169:sc=-0.00857 (180deg=-0.128) USER MOD Single : A 107 TYR OH : rot -151:sc= 1.21 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0.568 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.999 6.606 9.028 1.00 0.00 N ATOM 2 CA MET A 1 18.797 5.752 8.907 1.00 0.00 C ATOM 3 C MET A 1 17.631 6.516 8.274 1.00 0.00 C ATOM 4 O MET A 1 16.897 5.960 7.454 1.00 0.00 O ATOM 5 CB MET A 1 18.450 5.147 10.288 1.00 0.00 C ATOM 6 CG MET A 1 18.198 6.137 11.424 1.00 0.00 C ATOM 7 SD MET A 1 16.629 7.022 11.291 1.00 0.00 S ATOM 8 CE MET A 1 16.688 8.040 12.764 1.00 0.00 C ATOM 0 H1 MET A 1 20.760 6.070 9.491 1.00 0.00 H new ATOM 0 H2 MET A 1 20.311 6.903 8.081 1.00 0.00 H new ATOM 0 H3 MET A 1 19.772 7.446 9.597 1.00 0.00 H new ATOM 0 HA MET A 1 19.006 4.924 8.229 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.562 4.525 10.174 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.265 4.487 10.585 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.221 5.600 12.372 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.012 6.862 11.448 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.785 8.647 12.823 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.755 7.402 13.645 1.00 0.00 H new ATOM 0 HE3 MET A 1 17.561 8.692 12.721 1.00 0.00 H new ATOM 20 N SER A 2 17.504 7.798 8.601 1.00 0.00 N ATOM 21 CA SER A 2 16.481 8.663 8.015 1.00 0.00 C ATOM 22 C SER A 2 16.882 9.115 6.604 1.00 0.00 C ATOM 23 O SER A 2 17.185 10.288 6.388 1.00 0.00 O ATOM 24 CB SER A 2 16.246 9.874 8.923 1.00 0.00 C ATOM 25 OG SER A 2 17.456 10.581 9.152 1.00 0.00 O ATOM 0 H SER A 2 18.105 8.268 9.278 1.00 0.00 H new ATOM 0 HA SER A 2 15.554 8.096 7.930 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.513 10.539 8.466 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.828 9.544 9.874 1.00 0.00 H new ATOM 0 HG SER A 2 17.892 10.769 8.295 1.00 0.00 H new ATOM 31 N THR A 3 17.053 8.150 5.705 1.00 0.00 N ATOM 32 CA THR A 3 17.600 8.410 4.376 1.00 0.00 C ATOM 33 C THR A 3 16.605 9.205 3.496 1.00 0.00 C ATOM 34 O THR A 3 16.099 10.248 3.907 1.00 0.00 O ATOM 35 CB THR A 3 17.990 7.074 3.704 1.00 0.00 C ATOM 36 OG1 THR A 3 18.654 6.238 4.665 1.00 0.00 O ATOM 37 CG2 THR A 3 18.932 7.297 2.527 1.00 0.00 C ATOM 0 H THR A 3 16.818 7.172 5.875 1.00 0.00 H new ATOM 0 HA THR A 3 18.492 9.027 4.485 1.00 0.00 H new ATOM 0 HB THR A 3 17.078 6.602 3.339 1.00 0.00 H new ATOM 0 HG1 THR A 3 19.296 5.657 4.205 1.00 0.00 H new ATOM 0 HG21 THR A 3 19.186 6.337 2.077 1.00 0.00 H new ATOM 0 HG22 THR A 3 18.443 7.927 1.784 1.00 0.00 H new ATOM 0 HG23 THR A 3 19.841 7.786 2.876 1.00 0.00 H new ATOM 45 N THR A 4 16.388 8.762 2.262 1.00 0.00 N ATOM 46 CA THR A 4 15.540 9.480 1.314 1.00 0.00 C ATOM 47 C THR A 4 14.044 9.311 1.606 1.00 0.00 C ATOM 48 O THR A 4 13.229 9.286 0.684 1.00 0.00 O ATOM 49 CB THR A 4 15.834 9.002 -0.121 1.00 0.00 C ATOM 50 OG1 THR A 4 15.726 7.572 -0.180 1.00 0.00 O ATOM 51 CG2 THR A 4 17.223 9.433 -0.572 1.00 0.00 C ATOM 0 H THR A 4 16.791 7.901 1.892 1.00 0.00 H new ATOM 0 HA THR A 4 15.777 10.539 1.421 1.00 0.00 H new ATOM 0 HB THR A 4 15.105 9.457 -0.791 1.00 0.00 H new ATOM 0 HG1 THR A 4 15.911 7.267 -1.093 1.00 0.00 H new ATOM 0 HG21 THR A 4 17.401 9.081 -1.588 1.00 0.00 H new ATOM 0 HG22 THR A 4 17.292 10.521 -0.547 1.00 0.00 H new ATOM 0 HG23 THR A 4 17.971 9.006 0.096 1.00 0.00 H new ATOM 59 N ILE A 5 13.677 9.287 2.880 1.00 0.00 N ATOM 60 CA ILE A 5 12.278 9.212 3.273 1.00 0.00 C ATOM 61 C ILE A 5 11.496 10.441 2.829 1.00 0.00 C ATOM 62 O ILE A 5 10.351 10.320 2.401 1.00 0.00 O ATOM 63 CB ILE A 5 12.128 8.977 4.791 1.00 0.00 C ATOM 64 CG1 ILE A 5 12.430 7.520 5.118 1.00 0.00 C ATOM 65 CG2 ILE A 5 10.726 9.324 5.251 1.00 0.00 C ATOM 66 CD1 ILE A 5 12.632 7.245 6.592 1.00 0.00 C ATOM 0 H ILE A 5 14.332 9.319 3.661 1.00 0.00 H new ATOM 0 HA ILE A 5 11.851 8.351 2.759 1.00 0.00 H new ATOM 0 HB ILE A 5 12.834 9.622 5.313 1.00 0.00 H new ATOM 0 HG12 ILE A 5 11.611 6.900 4.753 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.326 7.216 4.577 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.642 9.151 6.324 1.00 0.00 H new ATOM 0 HG22 ILE A 5 10.521 10.373 5.035 1.00 0.00 H new ATOM 0 HG23 ILE A 5 10.005 8.698 4.725 1.00 0.00 H new ATOM 0 HD11 ILE A 5 12.842 6.186 6.739 1.00 0.00 H new ATOM 0 HD12 ILE A 5 13.470 7.836 6.961 1.00 0.00 H new ATOM 0 HD13 ILE A 5 11.729 7.515 7.140 1.00 0.00 H new ATOM 78 N GLU A 6 12.114 11.615 2.902 1.00 0.00 N ATOM 79 CA GLU A 6 11.446 12.840 2.471 1.00 0.00 C ATOM 80 C GLU A 6 10.963 12.709 1.028 1.00 0.00 C ATOM 81 O GLU A 6 9.796 12.963 0.732 1.00 0.00 O ATOM 82 CB GLU A 6 12.374 14.047 2.597 1.00 0.00 C ATOM 83 CG GLU A 6 12.863 14.295 4.010 1.00 0.00 C ATOM 84 CD GLU A 6 13.709 15.545 4.111 1.00 0.00 C ATOM 85 OE1 GLU A 6 14.748 15.622 3.419 1.00 0.00 O ATOM 86 OE2 GLU A 6 13.334 16.461 4.873 1.00 0.00 O ATOM 0 H GLU A 6 13.064 11.745 3.250 1.00 0.00 H new ATOM 0 HA GLU A 6 10.586 12.995 3.123 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.235 13.902 1.944 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.851 14.935 2.242 1.00 0.00 H new ATOM 0 HG2 GLU A 6 12.007 14.383 4.679 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.444 13.437 4.347 1.00 0.00 H new ATOM 93 N LYS A 7 11.844 12.227 0.155 1.00 0.00 N ATOM 94 CA LYS A 7 11.487 11.968 -1.240 1.00 0.00 C ATOM 95 C LYS A 7 10.405 10.900 -1.328 1.00 0.00 C ATOM 96 O LYS A 7 9.450 11.024 -2.093 1.00 0.00 O ATOM 97 CB LYS A 7 12.708 11.518 -2.043 1.00 0.00 C ATOM 98 CG LYS A 7 13.824 12.547 -2.103 1.00 0.00 C ATOM 99 CD LYS A 7 14.994 12.051 -2.941 1.00 0.00 C ATOM 100 CE LYS A 7 14.580 11.779 -4.383 1.00 0.00 C ATOM 101 NZ LYS A 7 15.725 11.335 -5.219 1.00 0.00 N ATOM 0 H LYS A 7 12.812 12.007 0.388 1.00 0.00 H new ATOM 0 HA LYS A 7 11.109 12.899 -1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.099 10.599 -1.606 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.394 11.279 -3.059 1.00 0.00 H new ATOM 0 HG2 LYS A 7 13.441 13.477 -2.524 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.168 12.772 -1.093 1.00 0.00 H new ATOM 0 HD2 LYS A 7 15.793 12.792 -2.925 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.397 11.139 -2.500 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.803 11.015 -4.399 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.147 12.683 -4.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 15.398 11.161 -6.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.457 12.074 -5.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.123 10.458 -4.826 1.00 0.00 H new ATOM 115 N ILE A 8 10.569 9.853 -0.540 1.00 0.00 N ATOM 116 CA ILE A 8 9.627 8.749 -0.511 1.00 0.00 C ATOM 117 C ILE A 8 8.234 9.200 -0.085 1.00 0.00 C ATOM 118 O ILE A 8 7.241 8.835 -0.710 1.00 0.00 O ATOM 119 CB ILE A 8 10.121 7.640 0.432 1.00 0.00 C ATOM 120 CG1 ILE A 8 11.392 6.998 -0.135 1.00 0.00 C ATOM 121 CG2 ILE A 8 9.032 6.610 0.646 1.00 0.00 C ATOM 122 CD1 ILE A 8 12.002 5.941 0.761 1.00 0.00 C ATOM 0 H ILE A 8 11.358 9.744 0.097 1.00 0.00 H new ATOM 0 HA ILE A 8 9.561 8.359 -1.527 1.00 0.00 H new ATOM 0 HB ILE A 8 10.364 8.075 1.401 1.00 0.00 H new ATOM 0 HG12 ILE A 8 11.160 6.550 -1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 8 12.132 7.778 -0.314 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.395 5.830 1.316 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.159 7.090 1.088 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.757 6.167 -0.311 1.00 0.00 H new ATOM 0 HD11 ILE A 8 12.897 5.536 0.289 1.00 0.00 H new ATOM 0 HD12 ILE A 8 12.268 6.386 1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 8 11.281 5.139 0.920 1.00 0.00 H new ATOM 134 N GLN A 9 8.158 10.002 0.966 1.00 0.00 N ATOM 135 CA GLN A 9 6.875 10.499 1.435 1.00 0.00 C ATOM 136 C GLN A 9 6.224 11.405 0.407 1.00 0.00 C ATOM 137 O GLN A 9 5.012 11.332 0.207 1.00 0.00 O ATOM 138 CB GLN A 9 6.979 11.194 2.793 1.00 0.00 C ATOM 139 CG GLN A 9 7.238 10.239 3.942 1.00 0.00 C ATOM 140 CD GLN A 9 7.153 10.918 5.293 1.00 0.00 C ATOM 141 OE1 GLN A 9 8.198 10.787 6.091 1.00 0.00 O flip ATOM 142 NE2 GLN A 9 6.139 11.534 5.625 1.00 0.00 N flip ATOM 0 H GLN A 9 8.963 10.320 1.506 1.00 0.00 H new ATOM 0 HA GLN A 9 6.235 9.628 1.573 1.00 0.00 H new ATOM 0 HB2 GLN A 9 7.782 11.931 2.755 1.00 0.00 H new ATOM 0 HB3 GLN A 9 6.055 11.739 2.985 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.515 9.424 3.903 1.00 0.00 H new ATOM 0 HG3 GLN A 9 8.226 9.794 3.824 1.00 0.00 H new ATOM 0 HE21 GLN A 9 5.354 11.611 4.978 1.00 0.00 H new ATOM 0 HE22 GLN A 9 6.084 11.967 6.547 1.00 0.00 H new ATOM 151 N ARG A 10 7.038 12.146 -0.341 1.00 0.00 N ATOM 152 CA ARG A 10 6.524 12.921 -1.461 1.00 0.00 C ATOM 153 C ARG A 10 5.781 11.990 -2.416 1.00 0.00 C ATOM 154 O ARG A 10 4.726 12.327 -2.931 1.00 0.00 O ATOM 155 CB ARG A 10 7.652 13.608 -2.244 1.00 0.00 C ATOM 156 CG ARG A 10 8.528 14.587 -1.466 1.00 0.00 C ATOM 157 CD ARG A 10 7.766 15.798 -0.946 1.00 0.00 C ATOM 158 NE ARG A 10 6.885 15.477 0.174 1.00 0.00 N ATOM 159 CZ ARG A 10 6.155 16.382 0.823 1.00 0.00 C ATOM 160 NH1 ARG A 10 6.157 17.651 0.426 1.00 0.00 N ATOM 161 NH2 ARG A 10 5.425 16.022 1.870 1.00 0.00 N ATOM 0 H ARG A 10 8.044 12.224 -0.193 1.00 0.00 H new ATOM 0 HA ARG A 10 5.862 13.687 -1.057 1.00 0.00 H new ATOM 0 HB2 ARG A 10 8.295 12.834 -2.663 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.207 14.142 -3.084 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.984 14.065 -0.625 1.00 0.00 H new ATOM 0 HG3 ARG A 10 9.340 14.927 -2.109 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.478 16.562 -0.634 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.175 16.224 -1.756 1.00 0.00 H new ATOM 0 HE ARG A 10 6.826 14.505 0.476 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.719 17.933 -0.377 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.597 18.342 0.925 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.422 15.050 2.180 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.867 16.717 2.366 1.00 0.00 H new ATOM 175 N GLN A 11 6.375 10.820 -2.646 1.00 0.00 N ATOM 176 CA GLN A 11 5.825 9.816 -3.558 1.00 0.00 C ATOM 177 C GLN A 11 4.542 9.187 -3.010 1.00 0.00 C ATOM 178 O GLN A 11 3.581 8.959 -3.748 1.00 0.00 O ATOM 179 CB GLN A 11 6.867 8.720 -3.807 1.00 0.00 C ATOM 180 CG GLN A 11 6.399 7.625 -4.750 1.00 0.00 C ATOM 181 CD GLN A 11 6.129 8.136 -6.149 1.00 0.00 C ATOM 182 OE1 GLN A 11 7.039 8.586 -6.847 1.00 0.00 O ATOM 183 NE2 GLN A 11 4.872 8.096 -6.556 1.00 0.00 N ATOM 0 H GLN A 11 7.252 10.540 -2.206 1.00 0.00 H new ATOM 0 HA GLN A 11 5.577 10.319 -4.493 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.769 9.176 -4.216 1.00 0.00 H new ATOM 0 HB3 GLN A 11 7.142 8.271 -2.853 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.155 6.841 -4.793 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.491 7.171 -4.352 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.150 7.715 -5.945 1.00 0.00 H new ATOM 0 HE22 GLN A 11 4.624 8.447 -7.481 1.00 0.00 H new ATOM 192 N ILE A 12 4.562 8.847 -1.729 1.00 0.00 N ATOM 193 CA ILE A 12 3.429 8.173 -1.096 1.00 0.00 C ATOM 194 C ILE A 12 2.223 9.092 -1.068 1.00 0.00 C ATOM 195 O ILE A 12 1.100 8.687 -1.368 1.00 0.00 O ATOM 196 CB ILE A 12 3.744 7.718 0.352 1.00 0.00 C ATOM 197 CG1 ILE A 12 4.957 6.778 0.391 1.00 0.00 C ATOM 198 CG2 ILE A 12 2.531 7.039 0.977 1.00 0.00 C ATOM 199 CD1 ILE A 12 5.177 6.136 1.742 1.00 0.00 C ATOM 0 H ILE A 12 5.349 9.025 -1.105 1.00 0.00 H new ATOM 0 HA ILE A 12 3.219 7.285 -1.693 1.00 0.00 H new ATOM 0 HB ILE A 12 3.987 8.608 0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.826 5.996 -0.357 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.850 7.338 0.113 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.772 6.727 1.993 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.695 7.738 1.001 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.257 6.166 0.385 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.050 5.485 1.698 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.340 6.911 2.491 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.300 5.549 2.013 1.00 0.00 H new ATOM 211 N ALA A 13 2.488 10.337 -0.721 1.00 0.00 N ATOM 212 CA ALA A 13 1.467 11.372 -0.657 1.00 0.00 C ATOM 213 C ALA A 13 0.742 11.525 -1.991 1.00 0.00 C ATOM 214 O ALA A 13 -0.443 11.863 -2.022 1.00 0.00 O ATOM 215 CB ALA A 13 2.083 12.696 -0.235 1.00 0.00 C ATOM 0 H ALA A 13 3.422 10.663 -0.474 1.00 0.00 H new ATOM 0 HA ALA A 13 0.732 11.069 0.089 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.307 13.461 -0.191 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.541 12.587 0.748 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.843 12.991 -0.959 1.00 0.00 H new ATOM 221 N GLU A 14 1.477 11.352 -3.090 1.00 0.00 N ATOM 222 CA GLU A 14 0.910 11.548 -4.419 1.00 0.00 C ATOM 223 C GLU A 14 -0.221 10.569 -4.680 1.00 0.00 C ATOM 224 O GLU A 14 -1.258 10.937 -5.235 1.00 0.00 O ATOM 225 CB GLU A 14 1.956 11.360 -5.515 1.00 0.00 C ATOM 226 CG GLU A 14 3.205 12.186 -5.340 1.00 0.00 C ATOM 227 CD GLU A 14 4.047 12.201 -6.592 1.00 0.00 C ATOM 228 OE1 GLU A 14 4.494 11.122 -7.031 1.00 0.00 O ATOM 229 OE2 GLU A 14 4.237 13.294 -7.162 1.00 0.00 O ATOM 0 H GLU A 14 2.460 11.078 -3.084 1.00 0.00 H new ATOM 0 HA GLU A 14 0.537 12.572 -4.444 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.235 10.307 -5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.505 11.607 -6.476 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.931 13.207 -5.074 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.791 11.787 -4.512 1.00 0.00 H new ATOM 236 N ASN A 15 0.020 9.307 -4.361 1.00 0.00 N ATOM 237 CA ASN A 15 -0.946 8.262 -4.654 1.00 0.00 C ATOM 238 C ASN A 15 -2.077 8.259 -3.641 1.00 0.00 C ATOM 239 O ASN A 15 -1.852 8.170 -2.434 1.00 0.00 O ATOM 240 CB ASN A 15 -0.263 6.896 -4.692 1.00 0.00 C ATOM 241 CG ASN A 15 0.739 6.778 -5.826 1.00 0.00 C ATOM 242 OD1 ASN A 15 0.382 6.892 -6.999 1.00 0.00 O ATOM 243 ND2 ASN A 15 2.002 6.548 -5.491 1.00 0.00 N ATOM 0 H ASN A 15 0.871 8.984 -3.902 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.373 8.468 -5.636 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.245 6.721 -3.743 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.019 6.118 -4.797 1.00 0.00 H new ATOM 0 HD21 ASN A 15 2.714 6.460 -6.216 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.261 6.459 -4.508 1.00 0.00 H new ATOM 250 N PRO A 16 -3.321 8.350 -4.133 1.00 0.00 N ATOM 251 CA PRO A 16 -4.505 8.359 -3.276 1.00 0.00 C ATOM 252 C PRO A 16 -4.703 7.038 -2.558 1.00 0.00 C ATOM 253 O PRO A 16 -4.973 7.000 -1.362 1.00 0.00 O ATOM 254 CB PRO A 16 -5.651 8.606 -4.263 1.00 0.00 C ATOM 255 CG PRO A 16 -5.134 8.158 -5.583 1.00 0.00 C ATOM 256 CD PRO A 16 -3.665 8.456 -5.562 1.00 0.00 C ATOM 0 HA PRO A 16 -4.434 9.106 -2.486 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.542 8.047 -3.979 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.930 9.659 -4.287 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.316 7.094 -5.735 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.630 8.686 -6.398 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.101 7.745 -6.166 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.450 9.449 -5.955 1.00 0.00 H new ATOM 264 N ILE A 17 -4.496 5.954 -3.273 1.00 0.00 N ATOM 265 CA ILE A 17 -4.589 4.632 -2.693 1.00 0.00 C ATOM 266 C ILE A 17 -3.294 3.914 -3.026 1.00 0.00 C ATOM 267 O ILE A 17 -2.892 3.916 -4.187 1.00 0.00 O ATOM 268 CB ILE A 17 -5.789 3.855 -3.296 1.00 0.00 C ATOM 269 CG1 ILE A 17 -7.070 4.715 -3.289 1.00 0.00 C ATOM 270 CG2 ILE A 17 -6.028 2.559 -2.538 1.00 0.00 C ATOM 271 CD1 ILE A 17 -7.509 5.172 -1.910 1.00 0.00 C ATOM 0 H ILE A 17 -4.260 5.963 -4.265 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.743 4.696 -1.616 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.541 3.616 -4.330 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.908 5.592 -3.915 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.879 4.144 -3.744 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.874 2.031 -2.978 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.138 1.933 -2.598 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.244 2.783 -1.493 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -8.416 5.770 -1.997 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.707 4.302 -1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.720 5.773 -1.458 1.00 0.00 H new ATOM 283 N LEU A 18 -2.538 3.495 -2.023 1.00 0.00 N ATOM 284 CA LEU A 18 -1.194 3.021 -2.295 1.00 0.00 C ATOM 285 C LEU A 18 -0.896 1.713 -1.579 1.00 0.00 C ATOM 286 O LEU A 18 -1.340 1.484 -0.463 1.00 0.00 O ATOM 287 CB LEU A 18 -0.175 4.089 -1.906 1.00 0.00 C ATOM 288 CG LEU A 18 1.244 3.850 -2.408 1.00 0.00 C ATOM 289 CD1 LEU A 18 1.252 3.735 -3.926 1.00 0.00 C ATOM 290 CD2 LEU A 18 2.149 4.991 -1.952 1.00 0.00 C ATOM 0 H LEU A 18 -2.821 3.473 -1.043 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.120 2.826 -3.365 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.519 5.051 -2.285 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.150 4.165 -0.819 1.00 0.00 H new ATOM 0 HG LEU A 18 1.619 2.915 -1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.271 3.564 -4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.621 2.901 -4.231 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.870 4.658 -4.363 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.163 4.817 -2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.777 5.933 -2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.154 5.038 -0.863 1.00 0.00 H new ATOM 302 N LEU A 19 -0.184 0.843 -2.263 1.00 0.00 N ATOM 303 CA LEU A 19 0.150 -0.476 -1.760 1.00 0.00 C ATOM 304 C LEU A 19 1.596 -0.818 -2.093 1.00 0.00 C ATOM 305 O LEU A 19 1.949 -0.923 -3.247 1.00 0.00 O ATOM 306 CB LEU A 19 -0.799 -1.493 -2.402 1.00 0.00 C ATOM 307 CG LEU A 19 -0.351 -2.951 -2.367 1.00 0.00 C ATOM 308 CD1 LEU A 19 -0.179 -3.450 -0.938 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.351 -3.809 -3.119 1.00 0.00 C ATOM 0 H LEU A 19 0.184 1.032 -3.195 1.00 0.00 H new ATOM 0 HA LEU A 19 0.040 -0.499 -0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.766 -1.420 -1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.954 -1.207 -3.442 1.00 0.00 H new ATOM 0 HG LEU A 19 0.622 -3.023 -2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.141 -4.492 -0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.573 -2.847 -0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.128 -3.369 -0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.029 -4.850 -3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.331 -3.720 -2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.412 -3.474 -4.154 1.00 0.00 H new ATOM 321 N TYR A 20 2.415 -1.066 -1.091 1.00 0.00 N ATOM 322 CA TYR A 20 3.792 -1.464 -1.349 1.00 0.00 C ATOM 323 C TYR A 20 3.959 -2.973 -1.285 1.00 0.00 C ATOM 324 O TYR A 20 3.715 -3.588 -0.245 1.00 0.00 O ATOM 325 CB TYR A 20 4.742 -0.796 -0.361 1.00 0.00 C ATOM 326 CG TYR A 20 5.061 0.649 -0.683 1.00 0.00 C ATOM 327 CD1 TYR A 20 4.069 1.613 -0.795 1.00 0.00 C ATOM 328 CD2 TYR A 20 6.378 1.042 -0.883 1.00 0.00 C ATOM 329 CE1 TYR A 20 4.388 2.919 -1.101 1.00 0.00 C ATOM 330 CE2 TYR A 20 6.700 2.345 -1.193 1.00 0.00 C ATOM 331 CZ TYR A 20 5.701 3.280 -1.300 1.00 0.00 C ATOM 332 OH TYR A 20 6.015 4.582 -1.616 1.00 0.00 O ATOM 0 H TYR A 20 2.161 -1.002 -0.105 1.00 0.00 H new ATOM 0 HA TYR A 20 4.039 -1.136 -2.359 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.304 -0.846 0.636 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.672 -1.363 -0.330 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.036 1.337 -0.641 1.00 0.00 H new ATOM 0 HD2 TYR A 20 7.167 0.310 -0.794 1.00 0.00 H new ATOM 0 HE1 TYR A 20 3.606 3.660 -1.185 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.730 2.628 -1.351 1.00 0.00 H new ATOM 0 HH TYR A 20 6.985 4.668 -1.722 1.00 0.00 H new ATOM 342 N MET A 21 4.407 -3.563 -2.392 1.00 0.00 N ATOM 343 CA MET A 21 4.639 -4.995 -2.449 1.00 0.00 C ATOM 344 C MET A 21 5.821 -5.383 -3.359 1.00 0.00 C ATOM 345 O MET A 21 6.675 -4.562 -3.676 1.00 0.00 O ATOM 346 CB MET A 21 3.355 -5.685 -2.886 1.00 0.00 C ATOM 347 CG MET A 21 2.721 -5.129 -4.151 1.00 0.00 C ATOM 348 SD MET A 21 1.096 -5.856 -4.452 1.00 0.00 S ATOM 349 CE MET A 21 0.640 -5.094 -6.006 1.00 0.00 C ATOM 0 H MET A 21 4.615 -3.067 -3.259 1.00 0.00 H new ATOM 0 HA MET A 21 4.921 -5.330 -1.451 1.00 0.00 H new ATOM 0 HB2 MET A 21 3.564 -6.744 -3.038 1.00 0.00 H new ATOM 0 HB3 MET A 21 2.630 -5.617 -2.075 1.00 0.00 H new ATOM 0 HG2 MET A 21 2.626 -4.046 -4.066 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.372 -5.326 -5.003 1.00 0.00 H new ATOM 0 HE1 MET A 21 0.056 -5.798 -6.599 1.00 0.00 H new ATOM 0 HE2 MET A 21 0.045 -4.201 -5.813 1.00 0.00 H new ATOM 0 HE3 MET A 21 1.541 -4.818 -6.554 1.00 0.00 H new ATOM 359 N LYS A 22 5.892 -6.662 -3.729 1.00 0.00 N ATOM 360 CA LYS A 22 6.999 -7.177 -4.541 1.00 0.00 C ATOM 361 C LYS A 22 6.605 -7.212 -5.990 1.00 0.00 C ATOM 362 O LYS A 22 5.631 -7.835 -6.336 1.00 0.00 O ATOM 363 CB LYS A 22 7.374 -8.600 -4.092 1.00 0.00 C ATOM 364 CG LYS A 22 8.415 -9.309 -4.969 1.00 0.00 C ATOM 365 CD LYS A 22 9.744 -8.575 -4.994 1.00 0.00 C ATOM 366 CE LYS A 22 10.833 -9.354 -5.730 1.00 0.00 C ATOM 367 NZ LYS A 22 10.538 -9.537 -7.178 1.00 0.00 N ATOM 0 H LYS A 22 5.195 -7.363 -3.479 1.00 0.00 H new ATOM 0 HA LYS A 22 7.856 -6.516 -4.409 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.753 -8.553 -3.071 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.469 -9.207 -4.068 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.569 -10.322 -4.598 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.032 -9.396 -5.986 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.610 -7.605 -5.473 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.068 -8.383 -3.971 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.783 -8.831 -5.621 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.952 -10.331 -5.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.429 -9.552 -7.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.034 -10.436 -7.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.945 -8.751 -7.513 1.00 0.00 H new ATOM 381 N GLY A 23 7.400 -6.632 -6.848 1.00 0.00 N ATOM 382 CA GLY A 23 7.086 -6.723 -8.249 1.00 0.00 C ATOM 383 C GLY A 23 7.827 -7.862 -8.917 1.00 0.00 C ATOM 384 O GLY A 23 9.053 -7.941 -8.845 1.00 0.00 O ATOM 0 H GLY A 23 8.243 -6.108 -6.614 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.012 -6.865 -8.373 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.342 -5.785 -8.741 1.00 0.00 H new ATOM 388 N SER A 24 7.081 -8.734 -9.570 1.00 0.00 N ATOM 389 CA SER A 24 7.655 -9.857 -10.287 1.00 0.00 C ATOM 390 C SER A 24 6.919 -10.012 -11.612 1.00 0.00 C ATOM 391 O SER A 24 5.715 -9.793 -11.675 1.00 0.00 O ATOM 392 CB SER A 24 7.542 -11.146 -9.456 1.00 0.00 C ATOM 393 OG SER A 24 8.076 -12.264 -10.146 1.00 0.00 O ATOM 0 H SER A 24 6.063 -8.684 -9.618 1.00 0.00 H new ATOM 0 HA SER A 24 8.714 -9.673 -10.470 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.069 -11.017 -8.510 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.496 -11.333 -9.215 1.00 0.00 H new ATOM 0 HG SER A 24 8.432 -12.908 -9.499 1.00 0.00 H new ATOM 399 N PRO A 25 7.629 -10.342 -12.700 1.00 0.00 N ATOM 400 CA PRO A 25 7.013 -10.483 -14.023 1.00 0.00 C ATOM 401 C PRO A 25 5.839 -11.457 -13.991 1.00 0.00 C ATOM 402 O PRO A 25 4.779 -11.201 -14.570 1.00 0.00 O ATOM 403 CB PRO A 25 8.151 -11.031 -14.886 1.00 0.00 C ATOM 404 CG PRO A 25 9.394 -10.570 -14.210 1.00 0.00 C ATOM 405 CD PRO A 25 9.086 -10.567 -12.738 1.00 0.00 C ATOM 0 HA PRO A 25 6.602 -9.545 -14.397 1.00 0.00 H new ATOM 0 HB2 PRO A 25 8.113 -12.119 -14.947 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.092 -10.653 -15.906 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.229 -11.234 -14.433 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.678 -9.575 -14.552 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.360 -11.511 -12.267 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.629 -9.780 -12.214 1.00 0.00 H new ATOM 413 N LYS A 26 6.024 -12.550 -13.260 1.00 0.00 N ATOM 414 CA LYS A 26 4.985 -13.554 -13.080 1.00 0.00 C ATOM 415 C LYS A 26 3.858 -13.053 -12.173 1.00 0.00 C ATOM 416 O LYS A 26 2.715 -13.495 -12.298 1.00 0.00 O ATOM 417 CB LYS A 26 5.592 -14.863 -12.559 1.00 0.00 C ATOM 418 CG LYS A 26 6.360 -14.745 -11.252 1.00 0.00 C ATOM 419 CD LYS A 26 7.117 -16.033 -10.964 1.00 0.00 C ATOM 420 CE LYS A 26 7.913 -15.969 -9.669 1.00 0.00 C ATOM 421 NZ LYS A 26 7.044 -15.966 -8.463 1.00 0.00 N ATOM 0 H LYS A 26 6.897 -12.764 -12.777 1.00 0.00 H new ATOM 0 HA LYS A 26 4.536 -13.751 -14.053 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.790 -15.589 -12.426 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.262 -15.263 -13.321 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.058 -13.910 -11.307 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.670 -14.531 -10.436 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.410 -16.861 -10.911 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.794 -16.245 -11.792 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.591 -16.821 -9.621 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.530 -15.070 -9.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.368 -15.230 -7.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.062 -15.771 -8.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.093 -16.895 -7.997 1.00 0.00 H new ATOM 435 N LEU A 27 4.176 -12.146 -11.253 1.00 0.00 N ATOM 436 CA LEU A 27 3.173 -11.618 -10.329 1.00 0.00 C ATOM 437 C LEU A 27 3.677 -10.310 -9.722 1.00 0.00 C ATOM 438 O LEU A 27 4.718 -10.297 -9.069 1.00 0.00 O ATOM 439 CB LEU A 27 2.970 -12.627 -9.200 1.00 0.00 C ATOM 440 CG LEU A 27 1.598 -12.632 -8.496 1.00 0.00 C ATOM 441 CD1 LEU A 27 1.553 -13.730 -7.443 1.00 0.00 C ATOM 442 CD2 LEU A 27 1.274 -11.292 -7.859 1.00 0.00 C ATOM 0 H LEU A 27 5.113 -11.763 -11.127 1.00 0.00 H new ATOM 0 HA LEU A 27 2.239 -11.443 -10.863 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.146 -13.624 -9.603 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.736 -12.448 -8.445 1.00 0.00 H new ATOM 0 HG LEU A 27 0.844 -12.823 -9.259 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.580 -13.724 -6.952 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.714 -14.697 -7.919 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.334 -13.556 -6.702 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.298 -11.345 -7.376 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.034 -11.049 -7.116 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.257 -10.519 -8.627 1.00 0.00 H new ATOM 454 N PRO A 28 2.945 -9.200 -9.889 1.00 0.00 N ATOM 455 CA PRO A 28 3.339 -7.909 -9.317 1.00 0.00 C ATOM 456 C PRO A 28 3.178 -7.846 -7.794 1.00 0.00 C ATOM 457 O PRO A 28 3.019 -6.767 -7.225 1.00 0.00 O ATOM 458 CB PRO A 28 2.374 -6.929 -9.974 1.00 0.00 C ATOM 459 CG PRO A 28 1.181 -7.729 -10.342 1.00 0.00 C ATOM 460 CD PRO A 28 1.676 -9.113 -10.626 1.00 0.00 C ATOM 0 HA PRO A 28 4.394 -7.703 -9.498 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.109 -6.122 -9.291 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.823 -6.467 -10.854 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.452 -7.735 -9.532 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.684 -7.307 -11.215 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.966 -9.867 -10.287 1.00 0.00 H new ATOM 0 HD3 PRO A 28 1.824 -9.272 -11.694 1.00 0.00 H new ATOM 468 N SER A 29 3.312 -8.993 -7.143 1.00 0.00 N ATOM 469 CA SER A 29 3.279 -9.076 -5.687 1.00 0.00 C ATOM 470 C SER A 29 3.801 -10.431 -5.219 1.00 0.00 C ATOM 471 O SER A 29 3.078 -11.194 -4.579 1.00 0.00 O ATOM 472 CB SER A 29 1.875 -8.858 -5.171 1.00 0.00 C ATOM 473 OG SER A 29 1.869 -8.681 -3.772 1.00 0.00 O ATOM 0 H SER A 29 3.446 -9.891 -7.607 1.00 0.00 H new ATOM 0 HA SER A 29 3.923 -8.292 -5.288 1.00 0.00 H new ATOM 0 HB2 SER A 29 1.439 -7.983 -5.653 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.251 -9.712 -5.435 1.00 0.00 H new ATOM 0 HG SER A 29 1.584 -7.768 -3.559 1.00 0.00 H new ATOM 479 N CYS A 30 5.004 -10.780 -5.649 1.00 0.00 N ATOM 480 CA CYS A 30 5.557 -12.108 -5.380 1.00 0.00 C ATOM 481 C CYS A 30 5.573 -12.423 -3.875 1.00 0.00 C ATOM 482 O CYS A 30 5.403 -13.576 -3.478 1.00 0.00 O ATOM 483 CB CYS A 30 6.971 -12.220 -5.964 1.00 0.00 C ATOM 484 SG CYS A 30 7.737 -13.849 -5.785 1.00 0.00 S ATOM 0 H CYS A 30 5.618 -10.167 -6.185 1.00 0.00 H new ATOM 0 HA CYS A 30 4.911 -12.842 -5.863 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.933 -11.966 -7.023 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.608 -11.479 -5.481 1.00 0.00 H new ATOM 0 HG CYS A 30 7.206 -14.470 -4.774 1.00 0.00 H new ATOM 490 N GLY A 31 5.850 -11.410 -3.055 1.00 0.00 N ATOM 491 CA GLY A 31 5.969 -11.611 -1.615 1.00 0.00 C ATOM 492 C GLY A 31 4.641 -11.843 -0.894 1.00 0.00 C ATOM 493 O GLY A 31 3.802 -12.627 -1.336 1.00 0.00 O ATOM 0 H GLY A 31 5.995 -10.448 -3.362 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.621 -12.466 -1.433 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.457 -10.740 -1.179 1.00 0.00 H new ATOM 497 N PHE A 32 4.501 -11.224 0.280 1.00 0.00 N ATOM 498 CA PHE A 32 3.333 -11.438 1.138 1.00 0.00 C ATOM 499 C PHE A 32 2.096 -10.699 0.685 1.00 0.00 C ATOM 500 O PHE A 32 1.014 -10.989 1.146 1.00 0.00 O ATOM 501 CB PHE A 32 3.599 -11.069 2.590 1.00 0.00 C ATOM 502 CG PHE A 32 4.373 -12.093 3.344 1.00 0.00 C ATOM 503 CD1 PHE A 32 5.733 -12.251 3.154 1.00 0.00 C ATOM 504 CD2 PHE A 32 3.715 -12.915 4.239 1.00 0.00 C ATOM 505 CE1 PHE A 32 6.433 -13.215 3.856 1.00 0.00 C ATOM 506 CE2 PHE A 32 4.406 -13.881 4.944 1.00 0.00 C ATOM 507 CZ PHE A 32 5.768 -14.030 4.754 1.00 0.00 C ATOM 0 H PHE A 32 5.184 -10.568 0.660 1.00 0.00 H new ATOM 0 HA PHE A 32 3.146 -12.509 1.054 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.141 -10.124 2.620 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.646 -10.906 3.093 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.253 -11.616 2.452 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.651 -12.801 4.388 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.496 -13.331 3.704 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.884 -14.519 5.642 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.312 -14.782 5.306 1.00 0.00 H new ATOM 517 N SER A 33 2.246 -9.670 -0.103 1.00 0.00 N ATOM 518 CA SER A 33 1.096 -8.857 -0.469 1.00 0.00 C ATOM 519 C SER A 33 0.142 -9.632 -1.387 1.00 0.00 C ATOM 520 O SER A 33 -0.939 -9.153 -1.703 1.00 0.00 O ATOM 521 CB SER A 33 1.549 -7.565 -1.123 1.00 0.00 C ATOM 522 OG SER A 33 0.457 -6.711 -1.409 1.00 0.00 O ATOM 0 H SER A 33 3.134 -9.370 -0.504 1.00 0.00 H new ATOM 0 HA SER A 33 0.550 -8.609 0.441 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.250 -7.051 -0.466 1.00 0.00 H new ATOM 0 HB3 SER A 33 2.084 -7.792 -2.045 1.00 0.00 H new ATOM 0 HG SER A 33 0.536 -6.375 -2.326 1.00 0.00 H new ATOM 528 N ALA A 34 0.590 -10.795 -1.868 1.00 0.00 N ATOM 529 CA ALA A 34 -0.173 -11.606 -2.819 1.00 0.00 C ATOM 530 C ALA A 34 -1.638 -11.780 -2.399 1.00 0.00 C ATOM 531 O ALA A 34 -2.534 -11.707 -3.230 1.00 0.00 O ATOM 532 CB ALA A 34 0.486 -12.967 -2.991 1.00 0.00 C ATOM 0 H ALA A 34 1.490 -11.200 -1.609 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.172 -11.073 -3.770 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.089 -13.563 -3.700 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.501 -12.835 -3.367 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.519 -13.479 -2.030 1.00 0.00 H new ATOM 538 N GLN A 35 -1.886 -11.993 -1.114 1.00 0.00 N ATOM 539 CA GLN A 35 -3.261 -12.137 -0.635 1.00 0.00 C ATOM 540 C GLN A 35 -3.912 -10.761 -0.505 1.00 0.00 C ATOM 541 O GLN A 35 -5.106 -10.594 -0.747 1.00 0.00 O ATOM 542 CB GLN A 35 -3.351 -12.886 0.716 1.00 0.00 C ATOM 543 CG GLN A 35 -2.550 -14.182 0.776 1.00 0.00 C ATOM 544 CD GLN A 35 -1.064 -13.946 0.974 1.00 0.00 C ATOM 545 OE1 GLN A 35 -0.709 -12.726 1.342 1.00 0.00 O flip ATOM 546 NE2 GLN A 35 -0.253 -14.862 0.858 1.00 0.00 N flip ATOM 0 H GLN A 35 -1.169 -12.070 -0.392 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.793 -12.739 -1.372 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.004 -12.223 1.508 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.397 -13.111 0.923 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -2.927 -14.799 1.591 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -2.705 -14.742 -0.146 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.568 -15.789 0.572 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.735 -14.695 1.048 1.00 0.00 H new ATOM 555 N ALA A 36 -3.116 -9.792 -0.057 1.00 0.00 N ATOM 556 CA ALA A 36 -3.586 -8.436 0.203 1.00 0.00 C ATOM 557 C ALA A 36 -4.063 -7.751 -1.060 1.00 0.00 C ATOM 558 O ALA A 36 -5.116 -7.115 -1.075 1.00 0.00 O ATOM 559 CB ALA A 36 -2.477 -7.626 0.837 1.00 0.00 C ATOM 0 H ALA A 36 -2.124 -9.927 0.136 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.435 -8.503 0.883 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.831 -6.613 1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.178 -8.091 1.776 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.622 -7.589 0.162 1.00 0.00 H new ATOM 565 N VAL A 37 -3.282 -7.889 -2.119 1.00 0.00 N ATOM 566 CA VAL A 37 -3.613 -7.292 -3.399 1.00 0.00 C ATOM 567 C VAL A 37 -4.987 -7.762 -3.849 1.00 0.00 C ATOM 568 O VAL A 37 -5.762 -7.003 -4.432 1.00 0.00 O ATOM 569 CB VAL A 37 -2.547 -7.627 -4.472 1.00 0.00 C ATOM 570 CG1 VAL A 37 -2.424 -9.123 -4.691 1.00 0.00 C ATOM 571 CG2 VAL A 37 -2.857 -6.927 -5.788 1.00 0.00 C ATOM 0 H VAL A 37 -2.408 -8.414 -2.115 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.627 -6.209 -3.276 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.590 -7.261 -4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.667 -9.319 -5.450 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.134 -9.605 -3.757 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.382 -9.522 -5.023 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.093 -7.180 -6.523 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.832 -7.251 -6.152 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.868 -5.848 -5.632 1.00 0.00 H new ATOM 581 N GLN A 38 -5.286 -9.019 -3.553 1.00 0.00 N ATOM 582 CA GLN A 38 -6.564 -9.593 -3.905 1.00 0.00 C ATOM 583 C GLN A 38 -7.686 -8.947 -3.099 1.00 0.00 C ATOM 584 O GLN A 38 -8.724 -8.634 -3.655 1.00 0.00 O ATOM 585 CB GLN A 38 -6.559 -11.116 -3.703 1.00 0.00 C ATOM 586 CG GLN A 38 -5.343 -11.819 -4.306 1.00 0.00 C ATOM 587 CD GLN A 38 -5.128 -11.553 -5.796 1.00 0.00 C ATOM 588 OE1 GLN A 38 -6.079 -10.907 -6.452 1.00 0.00 O flip ATOM 589 NE2 GLN A 38 -4.118 -11.964 -6.362 1.00 0.00 N flip ATOM 0 H GLN A 38 -4.655 -9.657 -3.069 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.742 -9.394 -4.962 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -6.597 -11.331 -2.635 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.464 -11.534 -4.145 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.452 -11.506 -3.762 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.448 -12.893 -4.154 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.401 -12.459 -5.831 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.996 -11.810 -7.363 1.00 0.00 H new ATOM 598 N ALA A 39 -7.457 -8.722 -1.801 1.00 0.00 N ATOM 599 CA ALA A 39 -8.457 -8.079 -0.940 1.00 0.00 C ATOM 600 C ALA A 39 -8.852 -6.710 -1.482 1.00 0.00 C ATOM 601 O ALA A 39 -10.036 -6.428 -1.648 1.00 0.00 O ATOM 602 CB ALA A 39 -7.938 -7.953 0.488 1.00 0.00 C ATOM 0 H ALA A 39 -6.591 -8.974 -1.324 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.345 -8.711 -0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.695 -7.474 1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -7.718 -8.944 0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.030 -7.351 0.493 1.00 0.00 H new ATOM 608 N LEU A 40 -7.856 -5.901 -1.829 1.00 0.00 N ATOM 609 CA LEU A 40 -8.105 -4.590 -2.433 1.00 0.00 C ATOM 610 C LEU A 40 -8.891 -4.685 -3.727 1.00 0.00 C ATOM 611 O LEU A 40 -9.981 -4.137 -3.867 1.00 0.00 O ATOM 612 CB LEU A 40 -6.783 -3.927 -2.783 1.00 0.00 C ATOM 613 CG LEU A 40 -6.196 -2.977 -1.740 1.00 0.00 C ATOM 614 CD1 LEU A 40 -4.863 -2.405 -2.210 1.00 0.00 C ATOM 615 CD2 LEU A 40 -7.170 -1.852 -1.482 1.00 0.00 C ATOM 0 H LEU A 40 -6.869 -6.127 -1.704 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.675 -4.020 -1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.051 -4.710 -2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.915 -3.373 -3.712 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.022 -3.536 -0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.467 -1.732 -1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.157 -3.218 -2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.011 -1.855 -3.139 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.753 -1.173 -0.738 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.351 -1.308 -2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.110 -2.262 -1.113 1.00 0.00 H new ATOM 627 N ALA A 41 -8.290 -5.352 -4.692 1.00 0.00 N ATOM 628 CA ALA A 41 -8.871 -5.482 -6.016 1.00 0.00 C ATOM 629 C ALA A 41 -10.263 -6.092 -5.920 1.00 0.00 C ATOM 630 O ALA A 41 -11.140 -5.822 -6.744 1.00 0.00 O ATOM 631 CB ALA A 41 -7.973 -6.325 -6.911 1.00 0.00 C ATOM 0 H ALA A 41 -7.389 -5.818 -4.583 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.958 -4.490 -6.460 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.424 -6.412 -7.900 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.996 -5.849 -6.998 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.855 -7.318 -6.477 1.00 0.00 H new ATOM 637 N ALA A 42 -10.451 -6.894 -4.884 1.00 0.00 N ATOM 638 CA ALA A 42 -11.738 -7.536 -4.624 1.00 0.00 C ATOM 639 C ALA A 42 -12.743 -6.550 -4.078 1.00 0.00 C ATOM 640 O ALA A 42 -13.899 -6.523 -4.502 1.00 0.00 O ATOM 641 CB ALA A 42 -11.601 -8.668 -3.611 1.00 0.00 C ATOM 0 H ALA A 42 -9.726 -7.119 -4.203 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.082 -7.931 -5.580 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.576 -9.124 -3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.912 -9.419 -3.996 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -11.217 -8.271 -2.671 1.00 0.00 H new ATOM 647 N CYS A 43 -12.356 -5.925 -2.985 1.00 0.00 N ATOM 648 CA CYS A 43 -13.284 -5.159 -2.201 1.00 0.00 C ATOM 649 C CYS A 43 -13.695 -3.851 -2.879 1.00 0.00 C ATOM 650 O CYS A 43 -14.885 -3.588 -3.084 1.00 0.00 O ATOM 651 CB CYS A 43 -12.670 -4.864 -0.857 1.00 0.00 C ATOM 652 SG CYS A 43 -13.716 -3.843 0.156 1.00 0.00 S ATOM 0 H CYS A 43 -11.402 -5.937 -2.624 1.00 0.00 H new ATOM 0 HA CYS A 43 -14.189 -5.756 -2.089 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -12.470 -5.802 -0.338 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -11.710 -4.367 -1.000 1.00 0.00 H new ATOM 0 HG CYS A 43 -14.336 -4.585 1.026 1.00 0.00 H new ATOM 658 N GLY A 44 -12.714 -3.009 -3.158 1.00 0.00 N ATOM 659 CA GLY A 44 -12.975 -1.700 -3.723 1.00 0.00 C ATOM 660 C GLY A 44 -12.685 -1.618 -5.190 1.00 0.00 C ATOM 661 O GLY A 44 -13.246 -2.367 -5.998 1.00 0.00 O ATOM 0 H GLY A 44 -11.727 -3.212 -3.001 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.019 -1.440 -3.551 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -12.372 -0.959 -3.199 1.00 0.00 H new ATOM 665 N GLU A 45 -11.857 -0.650 -5.530 1.00 0.00 N ATOM 666 CA GLU A 45 -11.514 -0.356 -6.904 1.00 0.00 C ATOM 667 C GLU A 45 -10.049 0.033 -7.042 1.00 0.00 C ATOM 668 O GLU A 45 -9.176 -0.631 -6.481 1.00 0.00 O ATOM 669 CB GLU A 45 -12.453 0.684 -7.532 1.00 0.00 C ATOM 670 CG GLU A 45 -13.837 0.116 -7.820 1.00 0.00 C ATOM 671 CD GLU A 45 -14.741 1.053 -8.591 1.00 0.00 C ATOM 672 OE1 GLU A 45 -14.339 1.508 -9.686 1.00 0.00 O ATOM 673 OE2 GLU A 45 -15.890 1.261 -8.156 1.00 0.00 O ATOM 0 H GLU A 45 -11.400 -0.040 -4.852 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.657 -1.275 -7.471 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -12.546 1.538 -6.861 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.014 1.053 -8.459 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.728 -0.811 -8.383 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.317 -0.139 -6.875 1.00 0.00 H new ATOM 680 N ARG A 46 -9.778 0.898 -8.002 1.00 0.00 N ATOM 681 CA ARG A 46 -8.422 1.134 -8.452 1.00 0.00 C ATOM 682 C ARG A 46 -7.544 1.669 -7.351 1.00 0.00 C ATOM 683 O ARG A 46 -7.987 2.380 -6.453 1.00 0.00 O ATOM 684 CB ARG A 46 -8.394 2.081 -9.642 1.00 0.00 C ATOM 685 CG ARG A 46 -9.268 1.632 -10.794 1.00 0.00 C ATOM 686 CD ARG A 46 -8.946 0.214 -11.241 1.00 0.00 C ATOM 687 NE ARG A 46 -9.802 -0.207 -12.350 1.00 0.00 N ATOM 688 CZ ARG A 46 -9.785 -1.422 -12.893 1.00 0.00 C ATOM 689 NH1 ARG A 46 -9.000 -2.370 -12.395 1.00 0.00 N ATOM 690 NH2 ARG A 46 -10.568 -1.694 -13.928 1.00 0.00 N ATOM 0 H ARG A 46 -10.485 1.451 -8.487 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.024 0.167 -8.760 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.716 3.070 -9.316 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.367 2.180 -9.993 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.315 1.688 -10.497 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.138 2.314 -11.634 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.901 0.156 -11.545 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.073 -0.470 -10.402 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.456 0.476 -12.733 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -8.405 -2.169 -11.591 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.992 -3.299 -12.816 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.182 -0.973 -14.307 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.556 -2.625 -14.346 1.00 0.00 H new ATOM 704 N PHE A 47 -6.317 1.220 -7.385 1.00 0.00 N ATOM 705 CA PHE A 47 -5.375 1.517 -6.341 1.00 0.00 C ATOM 706 C PHE A 47 -3.976 1.446 -6.905 1.00 0.00 C ATOM 707 O PHE A 47 -3.728 0.729 -7.878 1.00 0.00 O ATOM 708 CB PHE A 47 -5.555 0.528 -5.187 1.00 0.00 C ATOM 709 CG PHE A 47 -5.122 -0.887 -5.477 1.00 0.00 C ATOM 710 CD1 PHE A 47 -3.771 -1.233 -5.489 1.00 0.00 C ATOM 711 CD2 PHE A 47 -6.067 -1.876 -5.716 1.00 0.00 C ATOM 712 CE1 PHE A 47 -3.381 -2.536 -5.724 1.00 0.00 C ATOM 713 CE2 PHE A 47 -5.677 -3.176 -5.957 1.00 0.00 C ATOM 714 CZ PHE A 47 -4.335 -3.509 -5.957 1.00 0.00 C ATOM 0 H PHE A 47 -5.944 0.639 -8.136 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.546 2.522 -5.955 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.994 0.893 -4.327 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.607 0.517 -4.900 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.023 -0.474 -5.313 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.117 -1.624 -5.713 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.332 -2.795 -5.726 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.421 -3.936 -6.146 1.00 0.00 H new ATOM 0 HZ PHE A 47 -4.032 -4.530 -6.139 1.00 0.00 H new ATOM 724 N ALA A 48 -3.074 2.189 -6.317 1.00 0.00 N ATOM 725 CA ALA A 48 -1.704 2.199 -6.776 1.00 0.00 C ATOM 726 C ALA A 48 -0.854 1.310 -5.908 1.00 0.00 C ATOM 727 O ALA A 48 -1.148 1.118 -4.733 1.00 0.00 O ATOM 728 CB ALA A 48 -1.141 3.609 -6.834 1.00 0.00 C ATOM 0 H ALA A 48 -3.261 2.796 -5.519 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.689 1.806 -7.793 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.109 3.575 -7.184 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.737 4.211 -7.520 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.173 4.055 -5.840 1.00 0.00 H new ATOM 734 N TYR A 49 0.170 0.738 -6.492 1.00 0.00 N ATOM 735 CA TYR A 49 1.029 -0.163 -5.771 1.00 0.00 C ATOM 736 C TYR A 49 2.474 0.204 -6.091 1.00 0.00 C ATOM 737 O TYR A 49 2.768 0.678 -7.190 1.00 0.00 O ATOM 738 CB TYR A 49 0.744 -1.620 -6.171 1.00 0.00 C ATOM 739 CG TYR A 49 1.559 -2.124 -7.341 1.00 0.00 C ATOM 740 CD1 TYR A 49 2.856 -2.577 -7.136 1.00 0.00 C ATOM 741 CD2 TYR A 49 1.033 -2.189 -8.620 1.00 0.00 C ATOM 742 CE1 TYR A 49 3.616 -3.066 -8.171 1.00 0.00 C ATOM 743 CE2 TYR A 49 1.787 -2.684 -9.669 1.00 0.00 C ATOM 744 CZ TYR A 49 3.080 -3.120 -9.439 1.00 0.00 C ATOM 745 OH TYR A 49 3.830 -3.616 -10.481 1.00 0.00 O ATOM 0 H TYR A 49 0.428 0.882 -7.468 1.00 0.00 H new ATOM 0 HA TYR A 49 0.847 -0.074 -4.700 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.932 -2.262 -5.311 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.314 -1.716 -6.415 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.276 -2.544 -6.142 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.024 -1.850 -8.801 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.626 -3.405 -7.992 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.368 -2.730 -10.663 1.00 0.00 H new ATOM 0 HH TYR A 49 3.303 -3.585 -11.307 1.00 0.00 H new ATOM 755 N VAL A 50 3.373 -0.052 -5.165 1.00 0.00 N ATOM 756 CA VAL A 50 4.777 0.202 -5.395 1.00 0.00 C ATOM 757 C VAL A 50 5.584 -1.039 -5.099 1.00 0.00 C ATOM 758 O VAL A 50 5.521 -1.586 -3.997 1.00 0.00 O ATOM 759 CB VAL A 50 5.306 1.356 -4.515 1.00 0.00 C ATOM 760 CG1 VAL A 50 6.774 1.628 -4.802 1.00 0.00 C ATOM 761 CG2 VAL A 50 4.479 2.614 -4.715 1.00 0.00 C ATOM 0 H VAL A 50 3.155 -0.436 -4.245 1.00 0.00 H new ATOM 0 HA VAL A 50 4.884 0.486 -6.442 1.00 0.00 H new ATOM 0 HB VAL A 50 5.214 1.051 -3.472 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.123 2.445 -4.170 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.358 0.732 -4.592 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.895 1.903 -5.850 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.872 3.412 -4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.529 2.920 -5.760 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.442 2.415 -4.444 1.00 0.00 H new ATOM 771 N ASP A 51 6.407 -1.419 -6.054 1.00 0.00 N ATOM 772 CA ASP A 51 7.318 -2.521 -5.864 1.00 0.00 C ATOM 773 C ASP A 51 8.481 -2.081 -4.987 1.00 0.00 C ATOM 774 O ASP A 51 9.015 -0.988 -5.139 1.00 0.00 O ATOM 775 CB ASP A 51 7.786 -3.093 -7.215 1.00 0.00 C ATOM 776 CG ASP A 51 8.414 -2.070 -8.148 1.00 0.00 C ATOM 777 OD1 ASP A 51 9.519 -1.582 -7.860 1.00 0.00 O ATOM 778 OD2 ASP A 51 7.786 -1.735 -9.179 1.00 0.00 O ATOM 0 H ASP A 51 6.461 -0.977 -6.972 1.00 0.00 H new ATOM 0 HA ASP A 51 6.800 -3.331 -5.350 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.508 -3.888 -7.028 1.00 0.00 H new ATOM 0 HB3 ASP A 51 6.933 -3.549 -7.717 1.00 0.00 H new ATOM 783 N ILE A 52 8.762 -2.881 -3.975 1.00 0.00 N ATOM 784 CA ILE A 52 9.745 -2.528 -2.958 1.00 0.00 C ATOM 785 C ILE A 52 10.485 -3.744 -2.448 1.00 0.00 C ATOM 786 O ILE A 52 11.698 -3.704 -2.346 1.00 0.00 O ATOM 787 CB ILE A 52 9.157 -1.725 -1.781 1.00 0.00 C ATOM 788 CG1 ILE A 52 7.686 -2.044 -1.561 1.00 0.00 C ATOM 789 CG2 ILE A 52 9.363 -0.242 -1.979 1.00 0.00 C ATOM 790 CD1 ILE A 52 7.422 -3.415 -1.007 1.00 0.00 C ATOM 0 H ILE A 52 8.320 -3.789 -3.832 1.00 0.00 H new ATOM 0 HA ILE A 52 10.453 -1.871 -3.462 1.00 0.00 H new ATOM 0 HB ILE A 52 9.695 -2.026 -0.882 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.265 -1.304 -0.881 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.159 -1.942 -2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.939 0.300 -1.134 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.430 -0.029 -2.048 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.870 0.074 -2.898 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.348 -3.556 -0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.809 -4.166 -1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.916 -3.518 -0.041 1.00 0.00 H new ATOM 802 N LEU A 53 9.808 -4.890 -2.365 1.00 0.00 N ATOM 803 CA LEU A 53 10.534 -6.138 -2.152 1.00 0.00 C ATOM 804 C LEU A 53 11.455 -6.387 -3.350 1.00 0.00 C ATOM 805 O LEU A 53 12.336 -7.240 -3.310 1.00 0.00 O ATOM 806 CB LEU A 53 9.621 -7.367 -1.938 1.00 0.00 C ATOM 807 CG LEU A 53 8.713 -7.377 -0.697 1.00 0.00 C ATOM 808 CD1 LEU A 53 9.374 -6.659 0.464 1.00 0.00 C ATOM 809 CD2 LEU A 53 7.328 -6.816 -0.993 1.00 0.00 C ATOM 0 H LEU A 53 8.795 -4.979 -2.439 1.00 0.00 H new ATOM 0 HA LEU A 53 11.102 -6.018 -1.230 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.987 -7.470 -2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.255 -8.252 -1.896 1.00 0.00 H new ATOM 0 HG LEU A 53 8.569 -8.418 -0.408 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.712 -6.680 1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.312 -7.156 0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.574 -5.624 0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.723 -6.844 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.419 -5.786 -1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.850 -7.417 -1.767 1.00 0.00 H new ATOM 821 N GLN A 54 11.208 -5.643 -4.433 1.00 0.00 N ATOM 822 CA GLN A 54 11.966 -5.782 -5.665 1.00 0.00 C ATOM 823 C GLN A 54 13.113 -4.757 -5.719 1.00 0.00 C ATOM 824 O GLN A 54 14.248 -5.127 -6.010 1.00 0.00 O ATOM 825 CB GLN A 54 11.009 -5.667 -6.879 1.00 0.00 C ATOM 826 CG GLN A 54 11.688 -5.781 -8.242 1.00 0.00 C ATOM 827 CD GLN A 54 12.262 -4.467 -8.753 1.00 0.00 C ATOM 828 OE1 GLN A 54 11.856 -3.361 -8.153 1.00 0.00 O flip ATOM 829 NE2 GLN A 54 13.010 -4.445 -9.729 1.00 0.00 N flip ATOM 0 H GLN A 54 10.478 -4.932 -4.473 1.00 0.00 H new ATOM 0 HA GLN A 54 12.430 -6.768 -5.700 1.00 0.00 H new ATOM 0 HB2 GLN A 54 10.250 -6.445 -6.801 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.491 -4.710 -6.826 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.490 -6.517 -8.178 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.966 -6.158 -8.967 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.303 -5.318 -10.167 1.00 0.00 H new ATOM 0 HE22 GLN A 54 13.337 -3.553 -10.101 1.00 0.00 H new ATOM 838 N ASN A 55 12.850 -3.505 -5.327 1.00 0.00 N ATOM 839 CA ASN A 55 13.924 -2.504 -5.225 1.00 0.00 C ATOM 840 C ASN A 55 14.699 -2.706 -3.936 1.00 0.00 C ATOM 841 O ASN A 55 14.122 -2.669 -2.858 1.00 0.00 O ATOM 842 CB ASN A 55 13.382 -1.070 -5.250 1.00 0.00 C ATOM 843 CG ASN A 55 12.633 -0.740 -6.520 1.00 0.00 C ATOM 844 OD1 ASN A 55 11.390 -0.326 -6.372 1.00 0.00 O flip ATOM 845 ND2 ASN A 55 13.172 -0.842 -7.624 1.00 0.00 N flip ATOM 0 H ASN A 55 11.922 -3.163 -5.079 1.00 0.00 H new ATOM 0 HA ASN A 55 14.573 -2.642 -6.090 1.00 0.00 H new ATOM 0 HB2 ASN A 55 12.720 -0.924 -4.397 1.00 0.00 H new ATOM 0 HB3 ASN A 55 14.212 -0.373 -5.133 1.00 0.00 H new ATOM 0 HD21 ASN A 55 14.137 -1.167 -7.693 1.00 0.00 H new ATOM 0 HD22 ASN A 55 12.653 -0.602 -8.469 1.00 0.00 H new ATOM 852 N PRO A 56 16.013 -2.922 -4.020 1.00 0.00 N ATOM 853 CA PRO A 56 16.844 -3.143 -2.834 1.00 0.00 C ATOM 854 C PRO A 56 16.915 -1.922 -1.914 1.00 0.00 C ATOM 855 O PRO A 56 16.893 -2.058 -0.687 1.00 0.00 O ATOM 856 CB PRO A 56 18.226 -3.458 -3.412 1.00 0.00 C ATOM 857 CG PRO A 56 18.213 -2.897 -4.793 1.00 0.00 C ATOM 858 CD PRO A 56 16.792 -2.987 -5.269 1.00 0.00 C ATOM 0 HA PRO A 56 16.436 -3.937 -2.208 1.00 0.00 H new ATOM 0 HB2 PRO A 56 19.016 -3.006 -2.812 1.00 0.00 H new ATOM 0 HB3 PRO A 56 18.411 -4.532 -3.426 1.00 0.00 H new ATOM 0 HG2 PRO A 56 18.560 -1.864 -4.797 1.00 0.00 H new ATOM 0 HG3 PRO A 56 18.879 -3.459 -5.448 1.00 0.00 H new ATOM 0 HD2 PRO A 56 16.541 -2.168 -5.943 1.00 0.00 H new ATOM 0 HD3 PRO A 56 16.607 -3.914 -5.811 1.00 0.00 H new ATOM 866 N ASP A 57 17.108 -0.750 -2.506 1.00 0.00 N ATOM 867 CA ASP A 57 17.316 0.473 -1.727 1.00 0.00 C ATOM 868 C ASP A 57 16.019 1.007 -1.113 1.00 0.00 C ATOM 869 O ASP A 57 15.985 1.334 0.074 1.00 0.00 O ATOM 870 CB ASP A 57 18.037 1.543 -2.568 1.00 0.00 C ATOM 871 CG ASP A 57 17.335 1.900 -3.865 1.00 0.00 C ATOM 872 OD1 ASP A 57 16.252 2.513 -3.822 1.00 0.00 O ATOM 873 OD2 ASP A 57 17.862 1.551 -4.942 1.00 0.00 O ATOM 0 H ASP A 57 17.126 -0.616 -3.517 1.00 0.00 H new ATOM 0 HA ASP A 57 17.962 0.214 -0.888 1.00 0.00 H new ATOM 0 HB2 ASP A 57 18.146 2.446 -1.968 1.00 0.00 H new ATOM 0 HB3 ASP A 57 19.042 1.190 -2.799 1.00 0.00 H new ATOM 878 N ILE A 58 14.959 1.096 -1.909 1.00 0.00 N ATOM 879 CA ILE A 58 13.674 1.597 -1.421 1.00 0.00 C ATOM 880 C ILE A 58 13.119 0.677 -0.335 1.00 0.00 C ATOM 881 O ILE A 58 12.522 1.130 0.638 1.00 0.00 O ATOM 882 CB ILE A 58 12.638 1.732 -2.566 1.00 0.00 C ATOM 883 CG1 ILE A 58 13.206 2.575 -3.710 1.00 0.00 C ATOM 884 CG2 ILE A 58 11.363 2.376 -2.046 1.00 0.00 C ATOM 885 CD1 ILE A 58 12.250 2.751 -4.873 1.00 0.00 C ATOM 0 H ILE A 58 14.961 0.829 -2.893 1.00 0.00 H new ATOM 0 HA ILE A 58 13.851 2.588 -1.003 1.00 0.00 H new ATOM 0 HB ILE A 58 12.412 0.734 -2.941 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.479 3.557 -3.324 1.00 0.00 H new ATOM 0 HG13 ILE A 58 14.122 2.109 -4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.643 2.466 -2.859 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.940 1.758 -1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.590 3.367 -1.652 1.00 0.00 H new ATOM 0 HD11 ILE A 58 12.723 3.359 -5.644 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.996 1.775 -5.286 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.343 3.246 -4.526 1.00 0.00 H new ATOM 897 N ARG A 59 13.314 -0.621 -0.531 1.00 0.00 N ATOM 898 CA ARG A 59 12.832 -1.654 0.388 1.00 0.00 C ATOM 899 C ARG A 59 13.234 -1.374 1.832 1.00 0.00 C ATOM 900 O ARG A 59 12.541 -1.772 2.759 1.00 0.00 O ATOM 901 CB ARG A 59 13.390 -3.009 -0.052 1.00 0.00 C ATOM 902 CG ARG A 59 12.880 -4.209 0.730 1.00 0.00 C ATOM 903 CD ARG A 59 13.380 -5.499 0.098 1.00 0.00 C ATOM 904 NE ARG A 59 12.856 -6.696 0.756 1.00 0.00 N ATOM 905 CZ ARG A 59 13.054 -7.935 0.300 1.00 0.00 C ATOM 906 NH1 ARG A 59 13.752 -8.131 -0.811 1.00 0.00 N ATOM 907 NH2 ARG A 59 12.547 -8.973 0.950 1.00 0.00 N ATOM 0 H ARG A 59 13.815 -0.993 -1.338 1.00 0.00 H new ATOM 0 HA ARG A 59 11.743 -1.658 0.352 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.153 -3.156 -1.106 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.477 -2.979 0.029 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.217 -4.148 1.765 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.790 -4.203 0.749 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.097 -5.516 -0.954 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.469 -5.517 0.135 1.00 0.00 H new ATOM 0 HE ARG A 59 12.310 -6.578 1.609 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.138 -7.335 -1.318 1.00 0.00 H new ATOM 0 HH12 ARG A 59 13.903 -9.078 -1.158 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.004 -8.826 1.801 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.700 -9.919 0.599 1.00 0.00 H new ATOM 921 N ALA A 60 14.424 -0.829 2.010 1.00 0.00 N ATOM 922 CA ALA A 60 14.994 -0.657 3.337 1.00 0.00 C ATOM 923 C ALA A 60 14.525 0.613 4.055 1.00 0.00 C ATOM 924 O ALA A 60 14.548 0.651 5.279 1.00 0.00 O ATOM 925 CB ALA A 60 16.511 -0.670 3.246 1.00 0.00 C ATOM 0 H ALA A 60 15.017 -0.496 1.250 1.00 0.00 H new ATOM 0 HA ALA A 60 14.636 -1.494 3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 60 16.936 -0.541 4.241 1.00 0.00 H new ATOM 0 HB2 ALA A 60 16.842 -1.622 2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 60 16.844 0.143 2.601 1.00 0.00 H new ATOM 931 N GLU A 61 14.457 1.723 3.323 1.00 0.00 N ATOM 932 CA GLU A 61 14.422 3.038 3.979 1.00 0.00 C ATOM 933 C GLU A 61 13.061 3.436 4.569 1.00 0.00 C ATOM 934 O GLU A 61 12.983 3.787 5.746 1.00 0.00 O ATOM 935 CB GLU A 61 14.888 4.110 2.996 1.00 0.00 C ATOM 936 CG GLU A 61 16.265 3.828 2.414 1.00 0.00 C ATOM 937 CD GLU A 61 17.360 3.729 3.464 1.00 0.00 C ATOM 938 OE1 GLU A 61 17.087 3.967 4.663 1.00 0.00 O ATOM 939 OE2 GLU A 61 18.512 3.434 3.091 1.00 0.00 O ATOM 0 H GLU A 61 14.426 1.746 2.304 1.00 0.00 H new ATOM 0 HA GLU A 61 15.096 2.958 4.832 1.00 0.00 H new ATOM 0 HB2 GLU A 61 14.166 4.188 2.183 1.00 0.00 H new ATOM 0 HB3 GLU A 61 14.905 5.076 3.502 1.00 0.00 H new ATOM 0 HG2 GLU A 61 16.228 2.896 1.850 1.00 0.00 H new ATOM 0 HG3 GLU A 61 16.521 4.618 1.708 1.00 0.00 H new ATOM 946 N LEU A 62 12.020 3.510 3.748 1.00 0.00 N ATOM 947 CA LEU A 62 10.731 4.024 4.232 1.00 0.00 C ATOM 948 C LEU A 62 10.005 3.091 5.207 1.00 0.00 C ATOM 949 O LEU A 62 9.267 3.582 6.059 1.00 0.00 O ATOM 950 CB LEU A 62 9.752 4.400 3.116 1.00 0.00 C ATOM 951 CG LEU A 62 9.200 3.248 2.284 1.00 0.00 C ATOM 952 CD1 LEU A 62 7.908 3.658 1.604 1.00 0.00 C ATOM 953 CD2 LEU A 62 10.214 2.839 1.244 1.00 0.00 C ATOM 0 H LEU A 62 12.033 3.230 2.767 1.00 0.00 H new ATOM 0 HA LEU A 62 11.030 4.926 4.766 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.912 4.932 3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.251 5.098 2.444 1.00 0.00 H new ATOM 0 HG LEU A 62 8.997 2.405 2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.527 2.824 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 62 7.172 3.935 2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 62 8.095 4.510 0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.816 2.015 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 62 10.427 3.685 0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 62 11.132 2.520 1.737 1.00 0.00 H new ATOM 965 N PRO A 63 10.118 1.750 5.096 1.00 0.00 N ATOM 966 CA PRO A 63 9.384 0.849 5.984 1.00 0.00 C ATOM 967 C PRO A 63 9.639 1.179 7.441 1.00 0.00 C ATOM 968 O PRO A 63 8.712 1.236 8.251 1.00 0.00 O ATOM 969 CB PRO A 63 9.942 -0.534 5.646 1.00 0.00 C ATOM 970 CG PRO A 63 11.177 -0.276 4.869 1.00 0.00 C ATOM 971 CD PRO A 63 10.903 0.984 4.119 1.00 0.00 C ATOM 0 HA PRO A 63 8.305 0.923 5.845 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.157 -1.103 6.550 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.226 -1.116 5.066 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.040 -0.165 5.525 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.396 -1.100 4.190 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.821 1.500 3.837 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.346 0.800 3.200 1.00 0.00 H new ATOM 979 N LYS A 64 10.902 1.457 7.732 1.00 0.00 N ATOM 980 CA LYS A 64 11.335 1.856 9.058 1.00 0.00 C ATOM 981 C LYS A 64 10.539 3.054 9.545 1.00 0.00 C ATOM 982 O LYS A 64 10.190 3.150 10.724 1.00 0.00 O ATOM 983 CB LYS A 64 12.812 2.202 9.018 1.00 0.00 C ATOM 984 CG LYS A 64 13.689 1.040 8.592 1.00 0.00 C ATOM 985 CD LYS A 64 15.128 1.493 8.434 1.00 0.00 C ATOM 986 CE LYS A 64 15.238 2.611 7.402 1.00 0.00 C ATOM 987 NZ LYS A 64 16.622 3.129 7.247 1.00 0.00 N ATOM 0 H LYS A 64 11.658 1.411 7.048 1.00 0.00 H new ATOM 0 HA LYS A 64 11.167 1.029 9.748 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.965 3.034 8.331 1.00 0.00 H new ATOM 0 HB3 LYS A 64 13.125 2.542 10.005 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.632 0.242 9.333 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.325 0.628 7.651 1.00 0.00 H new ATOM 0 HD2 LYS A 64 15.511 1.840 9.394 1.00 0.00 H new ATOM 0 HD3 LYS A 64 15.747 0.649 8.129 1.00 0.00 H new ATOM 0 HE2 LYS A 64 14.884 2.244 6.439 1.00 0.00 H new ATOM 0 HE3 LYS A 64 14.580 3.431 7.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.678 4.091 7.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 17.284 2.509 7.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.874 3.150 6.238 1.00 0.00 H new ATOM 1001 N TYR A 65 10.262 3.976 8.628 1.00 0.00 N ATOM 1002 CA TYR A 65 9.518 5.170 8.968 1.00 0.00 C ATOM 1003 C TYR A 65 8.065 4.813 9.284 1.00 0.00 C ATOM 1004 O TYR A 65 7.471 5.408 10.184 1.00 0.00 O ATOM 1005 CB TYR A 65 9.662 6.256 7.862 1.00 0.00 C ATOM 1006 CG TYR A 65 8.479 6.508 6.922 1.00 0.00 C ATOM 1007 CD1 TYR A 65 7.235 6.883 7.417 1.00 0.00 C ATOM 1008 CD2 TYR A 65 8.630 6.446 5.532 1.00 0.00 C ATOM 1009 CE1 TYR A 65 6.181 7.166 6.578 1.00 0.00 C ATOM 1010 CE2 TYR A 65 7.575 6.748 4.685 1.00 0.00 C ATOM 1011 CZ TYR A 65 6.355 7.101 5.218 1.00 0.00 C ATOM 1012 OH TYR A 65 5.313 7.423 4.387 1.00 0.00 O ATOM 0 H TYR A 65 10.543 3.914 7.649 1.00 0.00 H new ATOM 0 HA TYR A 65 9.938 5.611 9.872 1.00 0.00 H new ATOM 0 HB2 TYR A 65 9.901 7.199 8.354 1.00 0.00 H new ATOM 0 HB3 TYR A 65 10.522 5.990 7.247 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.092 6.954 8.485 1.00 0.00 H new ATOM 0 HD2 TYR A 65 9.583 6.159 5.113 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.220 7.438 6.989 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.709 6.707 3.614 1.00 0.00 H new ATOM 0 HH TYR A 65 4.541 6.857 4.596 1.00 0.00 H new ATOM 1022 N ALA A 66 7.459 3.901 8.507 1.00 0.00 N ATOM 1023 CA ALA A 66 6.050 3.598 8.728 1.00 0.00 C ATOM 1024 C ALA A 66 5.829 2.657 9.923 1.00 0.00 C ATOM 1025 O ALA A 66 5.260 3.072 10.933 1.00 0.00 O ATOM 1026 CB ALA A 66 5.485 2.960 7.476 1.00 0.00 C ATOM 0 H ALA A 66 7.907 3.383 7.751 1.00 0.00 H new ATOM 0 HA ALA A 66 5.540 4.534 8.956 1.00 0.00 H new ATOM 0 HB1 ALA A 66 4.431 2.729 7.629 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.587 3.650 6.638 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.030 2.042 7.258 1.00 0.00 H new ATOM 1032 N ASN A 67 6.450 1.475 9.887 1.00 0.00 N ATOM 1033 CA ASN A 67 6.496 0.581 11.051 1.00 0.00 C ATOM 1034 C ASN A 67 7.376 -0.632 10.747 1.00 0.00 C ATOM 1035 O ASN A 67 8.256 -1.013 11.516 1.00 0.00 O ATOM 1036 CB ASN A 67 5.095 0.113 11.459 1.00 0.00 C ATOM 1037 CG ASN A 67 5.118 -0.787 12.683 1.00 0.00 C ATOM 1038 OD1 ASN A 67 5.542 -0.377 13.761 1.00 0.00 O ATOM 1039 ND2 ASN A 67 4.667 -2.023 12.524 1.00 0.00 N ATOM 0 H ASN A 67 6.930 1.113 9.063 1.00 0.00 H new ATOM 0 HA ASN A 67 6.921 1.143 11.883 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.470 0.982 11.662 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.637 -0.422 10.627 1.00 0.00 H new ATOM 0 HD21 ASN A 67 4.664 -2.670 13.312 1.00 0.00 H new ATOM 0 HD22 ASN A 67 4.323 -2.327 11.613 1.00 0.00 H new ATOM 1046 N TRP A 68 7.022 -1.276 9.635 1.00 0.00 N ATOM 1047 CA TRP A 68 7.636 -2.520 9.175 1.00 0.00 C ATOM 1048 C TRP A 68 9.135 -2.389 8.923 1.00 0.00 C ATOM 1049 O TRP A 68 9.593 -1.369 8.448 1.00 0.00 O ATOM 1050 CB TRP A 68 6.976 -2.972 7.865 1.00 0.00 C ATOM 1051 CG TRP A 68 5.663 -3.695 7.991 1.00 0.00 C ATOM 1052 CD1 TRP A 68 5.400 -4.940 7.500 1.00 0.00 C ATOM 1053 CD2 TRP A 68 4.437 -3.234 8.581 1.00 0.00 C ATOM 1054 NE1 TRP A 68 4.103 -5.291 7.763 1.00 0.00 N ATOM 1055 CE2 TRP A 68 3.491 -4.266 8.428 1.00 0.00 C ATOM 1056 CE3 TRP A 68 4.044 -2.063 9.234 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 2.186 -4.161 8.898 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 2.746 -1.958 9.698 1.00 0.00 C ATOM 1059 CH2 TRP A 68 1.833 -3.003 9.534 1.00 0.00 C ATOM 0 H TRP A 68 6.284 -0.940 9.016 1.00 0.00 H new ATOM 0 HA TRP A 68 7.486 -3.248 9.972 1.00 0.00 H new ATOM 0 HB2 TRP A 68 6.823 -2.093 7.239 1.00 0.00 H new ATOM 0 HB3 TRP A 68 7.674 -3.622 7.337 1.00 0.00 H new ATOM 0 HD1 TRP A 68 6.113 -5.561 6.978 1.00 0.00 H new ATOM 0 HE1 TRP A 68 3.664 -6.175 7.504 1.00 0.00 H new ATOM 0 HE3 TRP A 68 4.744 -1.252 9.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 1.477 -4.965 8.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 2.432 -1.052 10.196 1.00 0.00 H new ATOM 0 HH2 TRP A 68 0.829 -2.894 9.917 1.00 0.00 H new ATOM 1070 N PRO A 69 9.901 -3.478 9.092 1.00 0.00 N ATOM 1071 CA PRO A 69 11.315 -3.497 8.703 1.00 0.00 C ATOM 1072 C PRO A 69 11.448 -3.366 7.183 1.00 0.00 C ATOM 1073 O PRO A 69 12.356 -2.718 6.664 1.00 0.00 O ATOM 1074 CB PRO A 69 11.801 -4.866 9.181 1.00 0.00 C ATOM 1075 CG PRO A 69 10.580 -5.721 9.210 1.00 0.00 C ATOM 1076 CD PRO A 69 9.423 -4.807 9.515 1.00 0.00 C ATOM 0 HA PRO A 69 11.891 -2.676 9.130 1.00 0.00 H new ATOM 0 HB2 PRO A 69 12.553 -5.275 8.507 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.260 -4.800 10.168 1.00 0.00 H new ATOM 0 HG2 PRO A 69 10.436 -6.223 8.253 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.670 -6.499 9.968 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.526 -5.102 8.970 1.00 0.00 H new ATOM 0 HD3 PRO A 69 9.170 -4.822 10.575 1.00 0.00 H new ATOM 1084 N THR A 70 10.467 -3.945 6.497 1.00 0.00 N ATOM 1085 CA THR A 70 10.334 -3.891 5.046 1.00 0.00 C ATOM 1086 C THR A 70 8.850 -3.773 4.683 1.00 0.00 C ATOM 1087 O THR A 70 8.177 -2.862 5.146 1.00 0.00 O ATOM 1088 CB THR A 70 10.965 -5.127 4.369 1.00 0.00 C ATOM 1089 OG1 THR A 70 10.394 -6.331 4.898 1.00 0.00 O ATOM 1090 CG2 THR A 70 12.472 -5.139 4.567 1.00 0.00 C ATOM 0 H THR A 70 9.723 -4.479 6.947 1.00 0.00 H new ATOM 0 HA THR A 70 10.872 -3.017 4.679 1.00 0.00 H new ATOM 0 HB THR A 70 10.755 -5.073 3.301 1.00 0.00 H new ATOM 0 HG1 THR A 70 10.802 -7.107 4.459 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.896 -6.018 4.082 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.904 -4.239 4.129 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.699 -5.168 5.633 1.00 0.00 H new ATOM 1098 N PHE A 71 8.328 -4.678 3.868 1.00 0.00 N ATOM 1099 CA PHE A 71 6.917 -4.631 3.478 1.00 0.00 C ATOM 1100 C PHE A 71 6.380 -6.066 3.417 1.00 0.00 C ATOM 1101 O PHE A 71 7.076 -6.968 3.876 1.00 0.00 O ATOM 1102 CB PHE A 71 6.784 -3.905 2.128 1.00 0.00 C ATOM 1103 CG PHE A 71 7.349 -2.509 2.129 1.00 0.00 C ATOM 1104 CD1 PHE A 71 8.713 -2.306 2.005 1.00 0.00 C ATOM 1105 CD2 PHE A 71 6.522 -1.405 2.243 1.00 0.00 C ATOM 1106 CE1 PHE A 71 9.239 -1.038 2.001 1.00 0.00 C ATOM 1107 CE2 PHE A 71 7.046 -0.128 2.239 1.00 0.00 C ATOM 1108 CZ PHE A 71 8.405 0.052 2.118 1.00 0.00 C ATOM 0 H PHE A 71 8.854 -5.453 3.463 1.00 0.00 H new ATOM 0 HA PHE A 71 6.327 -4.075 4.207 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.289 -4.491 1.360 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.730 -3.860 1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.372 -3.156 1.910 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.455 -1.544 2.336 1.00 0.00 H new ATOM 0 HE1 PHE A 71 10.305 -0.895 1.906 1.00 0.00 H new ATOM 0 HE2 PHE A 71 6.392 0.727 2.330 1.00 0.00 H new ATOM 0 HZ PHE A 71 8.818 1.050 2.115 1.00 0.00 H new ATOM 1118 N PRO A 72 5.180 -6.355 2.845 1.00 0.00 N ATOM 1119 CA PRO A 72 4.240 -5.380 2.251 1.00 0.00 C ATOM 1120 C PRO A 72 3.578 -4.454 3.267 1.00 0.00 C ATOM 1121 O PRO A 72 3.337 -4.840 4.414 1.00 0.00 O ATOM 1122 CB PRO A 72 3.178 -6.255 1.592 1.00 0.00 C ATOM 1123 CG PRO A 72 3.207 -7.523 2.363 1.00 0.00 C ATOM 1124 CD PRO A 72 4.636 -7.724 2.774 1.00 0.00 C ATOM 0 HA PRO A 72 4.768 -4.711 1.572 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.195 -5.786 1.636 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.402 -6.426 0.539 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.555 -7.465 3.234 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.854 -8.357 1.756 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.708 -8.233 3.735 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.178 -8.332 2.050 1.00 0.00 H new ATOM 1132 N GLN A 73 3.190 -3.268 2.801 1.00 0.00 N ATOM 1133 CA GLN A 73 2.443 -2.322 3.619 1.00 0.00 C ATOM 1134 C GLN A 73 1.452 -1.561 2.746 1.00 0.00 C ATOM 1135 O GLN A 73 1.801 -1.074 1.670 1.00 0.00 O ATOM 1136 CB GLN A 73 3.360 -1.304 4.292 1.00 0.00 C ATOM 1137 CG GLN A 73 4.498 -1.898 5.100 1.00 0.00 C ATOM 1138 CD GLN A 73 5.307 -0.832 5.814 1.00 0.00 C ATOM 1139 OE1 GLN A 73 4.790 -0.102 6.650 1.00 0.00 O ATOM 1140 NE2 GLN A 73 6.583 -0.738 5.500 1.00 0.00 N ATOM 0 H GLN A 73 3.384 -2.941 1.855 1.00 0.00 H new ATOM 0 HA GLN A 73 1.928 -2.896 4.389 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.781 -0.654 3.525 1.00 0.00 H new ATOM 0 HB3 GLN A 73 2.759 -0.675 4.948 1.00 0.00 H new ATOM 0 HG2 GLN A 73 4.096 -2.598 5.832 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.152 -2.468 4.440 1.00 0.00 H new ATOM 0 HE21 GLN A 73 6.983 -1.362 4.799 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.171 -0.042 5.958 1.00 0.00 H new ATOM 1149 N LEU A 74 0.225 -1.462 3.222 1.00 0.00 N ATOM 1150 CA LEU A 74 -0.836 -0.758 2.515 1.00 0.00 C ATOM 1151 C LEU A 74 -0.944 0.672 3.036 1.00 0.00 C ATOM 1152 O LEU A 74 -0.904 0.898 4.249 1.00 0.00 O ATOM 1153 CB LEU A 74 -2.148 -1.539 2.694 1.00 0.00 C ATOM 1154 CG LEU A 74 -3.407 -1.043 1.950 1.00 0.00 C ATOM 1155 CD1 LEU A 74 -3.947 0.256 2.527 1.00 0.00 C ATOM 1156 CD2 LEU A 74 -3.122 -0.878 0.470 1.00 0.00 C ATOM 0 H LEU A 74 -0.068 -1.867 4.111 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.615 -0.697 1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.965 -2.569 2.387 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.379 -1.560 3.759 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.175 -1.804 2.086 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.832 0.562 1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.212 0.107 3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.185 1.032 2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.021 -0.528 -0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.322 -0.151 0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.818 -1.836 0.049 1.00 0.00 H new ATOM 1168 N TRP A 75 -1.112 1.620 2.123 1.00 0.00 N ATOM 1169 CA TRP A 75 -1.267 3.020 2.479 1.00 0.00 C ATOM 1170 C TRP A 75 -2.579 3.580 1.940 1.00 0.00 C ATOM 1171 O TRP A 75 -2.840 3.553 0.739 1.00 0.00 O ATOM 1172 CB TRP A 75 -0.104 3.841 1.934 1.00 0.00 C ATOM 1173 CG TRP A 75 1.219 3.453 2.511 1.00 0.00 C ATOM 1174 CD1 TRP A 75 1.970 2.345 2.232 1.00 0.00 C ATOM 1175 CD2 TRP A 75 1.916 4.163 3.526 1.00 0.00 C ATOM 1176 NE1 TRP A 75 3.113 2.353 2.996 1.00 0.00 N ATOM 1177 CE2 TRP A 75 3.096 3.459 3.803 1.00 0.00 C ATOM 1178 CE3 TRP A 75 1.653 5.339 4.217 1.00 0.00 C ATOM 1179 CZ2 TRP A 75 4.010 3.895 4.750 1.00 0.00 C ATOM 1180 CZ3 TRP A 75 2.559 5.775 5.157 1.00 0.00 C ATOM 1181 CH2 TRP A 75 3.726 5.054 5.416 1.00 0.00 C ATOM 0 H TRP A 75 -1.144 1.439 1.120 1.00 0.00 H new ATOM 0 HA TRP A 75 -1.278 3.086 3.567 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -0.066 3.729 0.850 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -0.286 4.896 2.139 1.00 0.00 H new ATOM 0 HD1 TRP A 75 1.705 1.579 1.519 1.00 0.00 H new ATOM 0 HE1 TRP A 75 3.852 1.651 2.966 1.00 0.00 H new ATOM 0 HE3 TRP A 75 0.753 5.902 4.020 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 4.913 3.339 4.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 2.364 6.687 5.702 1.00 0.00 H new ATOM 0 HH2 TRP A 75 4.419 5.420 6.159 1.00 0.00 H new ATOM 1192 N VAL A 76 -3.349 4.182 2.826 1.00 0.00 N ATOM 1193 CA VAL A 76 -4.576 4.861 2.445 1.00 0.00 C ATOM 1194 C VAL A 76 -4.345 6.360 2.513 1.00 0.00 C ATOM 1195 O VAL A 76 -4.113 6.884 3.600 1.00 0.00 O ATOM 1196 CB VAL A 76 -5.724 4.502 3.414 1.00 0.00 C ATOM 1197 CG1 VAL A 76 -7.030 5.137 2.981 1.00 0.00 C ATOM 1198 CG2 VAL A 76 -5.876 3.000 3.549 1.00 0.00 C ATOM 0 H VAL A 76 -3.145 4.215 3.825 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.849 4.551 1.437 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.464 4.905 4.393 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.817 4.865 3.684 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.919 6.221 2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.294 4.782 1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.691 2.777 4.237 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.096 2.567 2.573 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.950 2.574 3.934 1.00 0.00 H new ATOM 1208 N ASP A 77 -4.410 7.046 1.371 1.00 0.00 N ATOM 1209 CA ASP A 77 -4.206 8.500 1.332 1.00 0.00 C ATOM 1210 C ASP A 77 -2.851 8.851 1.949 1.00 0.00 C ATOM 1211 O ASP A 77 -2.639 9.899 2.564 1.00 0.00 O ATOM 1212 CB ASP A 77 -5.354 9.164 2.069 1.00 0.00 C ATOM 1213 CG ASP A 77 -5.271 10.673 2.129 1.00 0.00 C ATOM 1214 OD1 ASP A 77 -5.144 11.310 1.068 1.00 0.00 O ATOM 1215 OD2 ASP A 77 -5.381 11.235 3.236 1.00 0.00 O ATOM 0 H ASP A 77 -4.601 6.623 0.463 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.195 8.862 0.304 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.290 8.883 1.586 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.390 8.774 3.086 1.00 0.00 H new ATOM 1220 N GLY A 78 -1.938 7.935 1.752 1.00 0.00 N ATOM 1221 CA GLY A 78 -0.582 8.074 2.244 1.00 0.00 C ATOM 1222 C GLY A 78 -0.466 7.833 3.735 1.00 0.00 C ATOM 1223 O GLY A 78 0.440 8.354 4.385 1.00 0.00 O ATOM 0 H GLY A 78 -2.110 7.067 1.245 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.064 7.372 1.717 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.219 9.076 2.014 1.00 0.00 H new ATOM 1227 N GLU A 79 -1.358 7.007 4.269 1.00 0.00 N ATOM 1228 CA GLU A 79 -1.331 6.643 5.677 1.00 0.00 C ATOM 1229 C GLU A 79 -1.280 5.130 5.843 1.00 0.00 C ATOM 1230 O GLU A 79 -2.002 4.403 5.161 1.00 0.00 O ATOM 1231 CB GLU A 79 -2.530 7.228 6.384 1.00 0.00 C ATOM 1232 CG GLU A 79 -2.496 8.739 6.371 1.00 0.00 C ATOM 1233 CD GLU A 79 -1.317 9.316 7.139 1.00 0.00 C ATOM 1234 OE1 GLU A 79 -0.614 8.548 7.838 1.00 0.00 O ATOM 1235 OE2 GLU A 79 -1.107 10.546 7.078 1.00 0.00 O ATOM 0 H GLU A 79 -2.115 6.574 3.740 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.429 7.055 6.129 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.444 6.879 5.903 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.556 6.872 7.414 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.455 9.087 5.339 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.423 9.121 6.799 1.00 0.00 H new ATOM 1242 N LEU A 80 -0.341 4.661 6.653 1.00 0.00 N ATOM 1243 CA LEU A 80 -0.091 3.235 6.798 1.00 0.00 C ATOM 1244 C LEU A 80 -1.217 2.515 7.524 1.00 0.00 C ATOM 1245 O LEU A 80 -1.653 2.934 8.599 1.00 0.00 O ATOM 1246 CB LEU A 80 1.223 2.996 7.540 1.00 0.00 C ATOM 1247 CG LEU A 80 1.517 1.529 7.835 1.00 0.00 C ATOM 1248 CD1 LEU A 80 1.787 0.765 6.551 1.00 0.00 C ATOM 1249 CD2 LEU A 80 2.677 1.398 8.803 1.00 0.00 C ATOM 0 H LEU A 80 0.264 5.253 7.223 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.030 2.826 5.790 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.041 3.407 6.948 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.202 3.547 8.480 1.00 0.00 H new ATOM 0 HG LEU A 80 0.636 1.092 8.306 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.994 -0.279 6.786 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.914 0.825 5.902 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.647 1.200 6.043 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.870 0.343 9.000 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.566 1.855 8.369 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.430 1.902 9.737 1.00 0.00 H new ATOM 1261 N VAL A 81 -1.577 1.358 6.993 1.00 0.00 N ATOM 1262 CA VAL A 81 -2.525 0.471 7.641 1.00 0.00 C ATOM 1263 C VAL A 81 -1.856 -0.881 7.944 1.00 0.00 C ATOM 1264 O VAL A 81 -1.851 -1.344 9.083 1.00 0.00 O ATOM 1265 CB VAL A 81 -3.774 0.258 6.749 1.00 0.00 C ATOM 1266 CG1 VAL A 81 -4.754 -0.707 7.394 1.00 0.00 C ATOM 1267 CG2 VAL A 81 -4.468 1.581 6.462 1.00 0.00 C ATOM 0 H VAL A 81 -1.221 1.009 6.103 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.845 0.930 8.577 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.432 -0.173 5.808 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -5.619 -0.835 6.744 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -4.268 -1.671 7.547 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -5.078 -0.308 8.355 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.342 1.405 5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -4.782 2.038 7.400 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -3.779 2.249 5.945 1.00 0.00 H new ATOM 1277 N GLY A 82 -1.278 -1.494 6.913 1.00 0.00 N ATOM 1278 CA GLY A 82 -0.601 -2.782 7.062 1.00 0.00 C ATOM 1279 C GLY A 82 -0.751 -3.606 5.801 1.00 0.00 C ATOM 1280 O GLY A 82 -1.766 -3.476 5.130 1.00 0.00 O ATOM 0 H GLY A 82 -1.265 -1.120 5.964 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.456 -2.622 7.276 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -1.019 -3.324 7.910 1.00 0.00 H new ATOM 1284 N GLY A 83 0.315 -4.259 5.348 1.00 0.00 N ATOM 1285 CA GLY A 83 0.272 -4.837 4.011 1.00 0.00 C ATOM 1286 C GLY A 83 -0.358 -6.221 3.892 1.00 0.00 C ATOM 1287 O GLY A 83 -1.336 -6.373 3.185 1.00 0.00 O ATOM 0 H GLY A 83 1.185 -4.398 5.862 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -0.276 -4.155 3.361 1.00 0.00 H new ATOM 0 HA3 GLY A 83 1.291 -4.891 3.629 1.00 0.00 H new ATOM 1291 N CYS A 84 0.247 -7.251 4.475 1.00 0.00 N ATOM 1292 CA CYS A 84 -0.258 -8.618 4.265 1.00 0.00 C ATOM 1293 C CYS A 84 -1.475 -8.951 5.119 1.00 0.00 C ATOM 1294 O CYS A 84 -2.572 -9.173 4.603 1.00 0.00 O ATOM 1295 CB CYS A 84 0.856 -9.639 4.516 1.00 0.00 C ATOM 1296 SG CYS A 84 1.880 -9.259 5.960 1.00 0.00 S ATOM 0 H CYS A 84 1.064 -7.179 5.081 1.00 0.00 H new ATOM 0 HA CYS A 84 -0.583 -8.670 3.226 1.00 0.00 H new ATOM 0 HB2 CYS A 84 0.410 -10.625 4.647 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.493 -9.692 3.633 1.00 0.00 H new ATOM 0 HG CYS A 84 2.793 -10.174 6.098 1.00 0.00 H new ATOM 1302 N ASP A 85 -1.250 -9.061 6.414 1.00 0.00 N ATOM 1303 CA ASP A 85 -2.294 -9.469 7.353 1.00 0.00 C ATOM 1304 C ASP A 85 -3.361 -8.411 7.484 1.00 0.00 C ATOM 1305 O ASP A 85 -4.555 -8.711 7.530 1.00 0.00 O ATOM 1306 CB ASP A 85 -1.674 -9.720 8.720 1.00 0.00 C ATOM 1307 CG ASP A 85 -2.700 -10.070 9.778 1.00 0.00 C ATOM 1308 OD1 ASP A 85 -3.383 -11.106 9.642 1.00 0.00 O ATOM 1309 OD2 ASP A 85 -2.824 -9.307 10.755 1.00 0.00 O ATOM 0 H ASP A 85 -0.347 -8.873 6.849 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.756 -10.379 6.970 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.950 -10.531 8.641 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.125 -8.832 9.033 1.00 0.00 H new ATOM 1314 N ILE A 86 -2.906 -7.191 7.682 1.00 0.00 N ATOM 1315 CA ILE A 86 -3.795 -6.093 7.983 1.00 0.00 C ATOM 1316 C ILE A 86 -4.814 -5.871 6.867 1.00 0.00 C ATOM 1317 O ILE A 86 -5.999 -5.754 7.146 1.00 0.00 O ATOM 1318 CB ILE A 86 -3.007 -4.804 8.245 1.00 0.00 C ATOM 1319 CG1 ILE A 86 -2.003 -5.006 9.384 1.00 0.00 C ATOM 1320 CG2 ILE A 86 -3.961 -3.671 8.580 1.00 0.00 C ATOM 1321 CD1 ILE A 86 -2.639 -5.369 10.709 1.00 0.00 C ATOM 0 H ILE A 86 -1.919 -6.936 7.639 1.00 0.00 H new ATOM 0 HA ILE A 86 -4.340 -6.359 8.889 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.453 -4.546 7.342 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.302 -5.792 9.102 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.423 -4.092 9.510 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.393 -2.759 8.765 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.643 -3.511 7.745 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -4.533 -3.929 9.471 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.862 -5.495 11.463 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.318 -4.574 11.017 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -3.195 -6.300 10.603 1.00 0.00 H new ATOM 1333 N VAL A 87 -4.364 -5.850 5.609 1.00 0.00 N ATOM 1334 CA VAL A 87 -5.290 -5.676 4.488 1.00 0.00 C ATOM 1335 C VAL A 87 -6.347 -6.767 4.478 1.00 0.00 C ATOM 1336 O VAL A 87 -7.534 -6.477 4.420 1.00 0.00 O ATOM 1337 CB VAL A 87 -4.575 -5.667 3.120 1.00 0.00 C ATOM 1338 CG1 VAL A 87 -5.585 -5.626 1.980 1.00 0.00 C ATOM 1339 CG2 VAL A 87 -3.642 -4.481 3.017 1.00 0.00 C ATOM 0 H VAL A 87 -3.384 -5.949 5.345 1.00 0.00 H new ATOM 0 HA VAL A 87 -5.758 -4.703 4.637 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.994 -6.586 3.040 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -5.057 -5.620 1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -6.229 -6.504 2.033 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.192 -4.725 2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.147 -4.491 2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.213 -3.559 3.124 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.893 -4.538 3.807 1.00 0.00 H new ATOM 1349 N ILE A 88 -5.913 -8.019 4.565 1.00 0.00 N ATOM 1350 CA ILE A 88 -6.843 -9.136 4.583 1.00 0.00 C ATOM 1351 C ILE A 88 -7.855 -8.991 5.707 1.00 0.00 C ATOM 1352 O ILE A 88 -9.057 -9.080 5.471 1.00 0.00 O ATOM 1353 CB ILE A 88 -6.112 -10.490 4.718 1.00 0.00 C ATOM 1354 CG1 ILE A 88 -5.247 -10.740 3.484 1.00 0.00 C ATOM 1355 CG2 ILE A 88 -7.108 -11.627 4.918 1.00 0.00 C ATOM 1356 CD1 ILE A 88 -6.041 -10.776 2.196 1.00 0.00 C ATOM 0 H ILE A 88 -4.929 -8.283 4.624 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.367 -9.121 3.627 1.00 0.00 H new ATOM 0 HB ILE A 88 -5.468 -10.452 5.596 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.490 -9.959 3.415 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.719 -11.686 3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -6.570 -12.570 5.010 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -7.686 -11.449 5.825 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -7.781 -11.676 4.062 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.367 -10.957 1.358 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -6.780 -11.575 2.247 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.548 -9.821 2.054 1.00 0.00 H new ATOM 1368 N GLU A 89 -7.381 -8.756 6.923 1.00 0.00 N ATOM 1369 CA GLU A 89 -8.293 -8.604 8.046 1.00 0.00 C ATOM 1370 C GLU A 89 -9.210 -7.398 7.857 1.00 0.00 C ATOM 1371 O GLU A 89 -10.417 -7.518 8.000 1.00 0.00 O ATOM 1372 CB GLU A 89 -7.532 -8.489 9.369 1.00 0.00 C ATOM 1373 CG GLU A 89 -8.448 -8.343 10.574 1.00 0.00 C ATOM 1374 CD GLU A 89 -7.693 -8.344 11.881 1.00 0.00 C ATOM 1375 OE1 GLU A 89 -7.027 -9.357 12.179 1.00 0.00 O ATOM 1376 OE2 GLU A 89 -7.770 -7.342 12.622 1.00 0.00 O ATOM 0 H GLU A 89 -6.391 -8.668 7.154 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.911 -9.501 8.083 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.908 -9.373 9.500 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.863 -7.630 9.323 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -9.013 -7.415 10.486 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.172 -9.158 10.576 1.00 0.00 H new ATOM 1383 N MET A 90 -8.635 -6.246 7.532 1.00 0.00 N ATOM 1384 CA MET A 90 -9.407 -5.016 7.334 1.00 0.00 C ATOM 1385 C MET A 90 -10.439 -5.163 6.210 1.00 0.00 C ATOM 1386 O MET A 90 -11.587 -4.730 6.359 1.00 0.00 O ATOM 1387 CB MET A 90 -8.467 -3.836 7.074 1.00 0.00 C ATOM 1388 CG MET A 90 -7.585 -3.484 8.262 1.00 0.00 C ATOM 1389 SD MET A 90 -8.525 -2.911 9.690 1.00 0.00 S ATOM 1390 CE MET A 90 -9.219 -1.390 9.049 1.00 0.00 C ATOM 0 H MET A 90 -7.630 -6.134 7.398 1.00 0.00 H new ATOM 0 HA MET A 90 -9.965 -4.820 8.250 1.00 0.00 H new ATOM 0 HB2 MET A 90 -7.833 -4.070 6.219 1.00 0.00 H new ATOM 0 HB3 MET A 90 -9.060 -2.963 6.802 1.00 0.00 H new ATOM 0 HG2 MET A 90 -7.000 -4.359 8.546 1.00 0.00 H new ATOM 0 HG3 MET A 90 -6.877 -2.710 7.965 1.00 0.00 H new ATOM 0 HE1 MET A 90 -9.740 -0.863 9.848 1.00 0.00 H new ATOM 0 HE2 MET A 90 -8.419 -0.760 8.661 1.00 0.00 H new ATOM 0 HE3 MET A 90 -9.921 -1.620 8.248 1.00 0.00 H new ATOM 1400 N TYR A 91 -10.057 -5.864 5.151 1.00 0.00 N ATOM 1401 CA TYR A 91 -10.962 -6.210 4.048 1.00 0.00 C ATOM 1402 C TYR A 91 -12.131 -7.042 4.559 1.00 0.00 C ATOM 1403 O TYR A 91 -13.295 -6.741 4.280 1.00 0.00 O ATOM 1404 CB TYR A 91 -10.146 -6.961 2.978 1.00 0.00 C ATOM 1405 CG TYR A 91 -10.871 -7.972 2.115 1.00 0.00 C ATOM 1406 CD1 TYR A 91 -11.707 -7.620 1.048 1.00 0.00 C ATOM 1407 CD2 TYR A 91 -10.672 -9.319 2.369 1.00 0.00 C ATOM 1408 CE1 TYR A 91 -12.309 -8.594 0.277 1.00 0.00 C ATOM 1409 CE2 TYR A 91 -11.270 -10.290 1.609 1.00 0.00 C ATOM 1410 CZ TYR A 91 -12.086 -9.929 0.561 1.00 0.00 C ATOM 1411 OH TYR A 91 -12.682 -10.908 -0.206 1.00 0.00 O ATOM 0 H TYR A 91 -9.107 -6.213 5.026 1.00 0.00 H new ATOM 0 HA TYR A 91 -11.389 -5.310 3.605 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.697 -6.219 2.318 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.328 -7.476 3.482 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.882 -6.578 0.826 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.030 -9.611 3.186 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -12.952 -8.315 -0.545 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -11.102 -11.333 1.831 1.00 0.00 H new ATOM 0 HH TYR A 91 -12.419 -11.791 0.128 1.00 0.00 H new ATOM 1421 N GLN A 92 -11.813 -8.036 5.370 1.00 0.00 N ATOM 1422 CA GLN A 92 -12.826 -8.870 6.008 1.00 0.00 C ATOM 1423 C GLN A 92 -13.681 -8.042 6.979 1.00 0.00 C ATOM 1424 O GLN A 92 -14.903 -8.182 7.023 1.00 0.00 O ATOM 1425 CB GLN A 92 -12.155 -10.035 6.733 1.00 0.00 C ATOM 1426 CG GLN A 92 -11.319 -10.899 5.808 1.00 0.00 C ATOM 1427 CD GLN A 92 -10.596 -12.009 6.535 1.00 0.00 C ATOM 1428 OE1 GLN A 92 -9.768 -11.758 7.409 1.00 0.00 O ATOM 1429 NE2 GLN A 92 -10.903 -13.245 6.180 1.00 0.00 N ATOM 0 H GLN A 92 -10.854 -8.289 5.606 1.00 0.00 H new ATOM 0 HA GLN A 92 -13.488 -9.269 5.240 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -11.522 -9.645 7.530 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -12.919 -10.651 7.206 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -11.963 -11.332 5.043 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.590 -10.273 5.294 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.596 -13.409 5.450 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.447 -14.035 6.636 1.00 0.00 H new ATOM 1438 N ARG A 93 -13.023 -7.144 7.709 1.00 0.00 N ATOM 1439 CA ARG A 93 -13.684 -6.225 8.639 1.00 0.00 C ATOM 1440 C ARG A 93 -14.701 -5.355 7.917 1.00 0.00 C ATOM 1441 O ARG A 93 -15.658 -4.867 8.516 1.00 0.00 O ATOM 1442 CB ARG A 93 -12.644 -5.310 9.297 1.00 0.00 C ATOM 1443 CG ARG A 93 -11.616 -6.036 10.140 1.00 0.00 C ATOM 1444 CD ARG A 93 -12.236 -6.623 11.393 1.00 0.00 C ATOM 1445 NE ARG A 93 -12.680 -5.572 12.313 1.00 0.00 N ATOM 1446 CZ ARG A 93 -13.347 -5.803 13.442 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -13.824 -7.016 13.697 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -13.574 -4.810 14.295 1.00 0.00 N ATOM 0 H ARG A 93 -12.010 -7.031 7.673 1.00 0.00 H new ATOM 0 HA ARG A 93 -14.194 -6.825 9.393 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.127 -4.749 8.518 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -13.162 -4.583 9.923 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -11.159 -6.832 9.552 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -10.819 -5.346 10.417 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -13.083 -7.252 11.121 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -11.511 -7.264 11.894 1.00 0.00 H new ATOM 0 HE ARG A 93 -12.465 -4.604 12.074 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -13.680 -7.772 13.028 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -14.335 -7.192 14.562 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -13.237 -3.870 14.085 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -14.085 -4.987 15.160 1.00 0.00 H new ATOM 1462 N GLY A 94 -14.378 -5.027 6.677 1.00 0.00 N ATOM 1463 CA GLY A 94 -15.147 -4.054 5.931 1.00 0.00 C ATOM 1464 C GLY A 94 -14.874 -2.646 6.418 1.00 0.00 C ATOM 1465 O GLY A 94 -15.635 -1.722 6.154 1.00 0.00 O ATOM 0 H GLY A 94 -13.587 -5.422 6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.902 -4.129 4.872 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -16.210 -4.275 6.029 1.00 0.00 H new ATOM 1469 N GLU A 95 -13.744 -2.490 7.090 1.00 0.00 N ATOM 1470 CA GLU A 95 -13.297 -1.198 7.589 1.00 0.00 C ATOM 1471 C GLU A 95 -12.263 -0.571 6.656 1.00 0.00 C ATOM 1472 O GLU A 95 -12.060 0.636 6.657 1.00 0.00 O ATOM 1473 CB GLU A 95 -12.724 -1.351 8.997 1.00 0.00 C ATOM 1474 CG GLU A 95 -13.744 -1.844 10.011 1.00 0.00 C ATOM 1475 CD GLU A 95 -13.158 -2.034 11.392 1.00 0.00 C ATOM 1476 OE1 GLU A 95 -12.264 -2.891 11.554 1.00 0.00 O ATOM 1477 OE2 GLU A 95 -13.592 -1.328 12.325 1.00 0.00 O ATOM 0 H GLU A 95 -13.109 -3.258 7.306 1.00 0.00 H new ATOM 0 HA GLU A 95 -14.158 -0.531 7.626 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -11.886 -2.047 8.967 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.329 -0.390 9.327 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.567 -1.132 10.066 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -14.163 -2.789 9.667 1.00 0.00 H new ATOM 1484 N LEU A 96 -11.580 -1.417 5.899 1.00 0.00 N ATOM 1485 CA LEU A 96 -10.516 -0.976 5.003 1.00 0.00 C ATOM 1486 C LEU A 96 -11.148 -0.325 3.804 1.00 0.00 C ATOM 1487 O LEU A 96 -10.831 0.800 3.447 1.00 0.00 O ATOM 1488 CB LEU A 96 -9.652 -2.168 4.600 1.00 0.00 C ATOM 1489 CG LEU A 96 -8.370 -1.843 3.832 1.00 0.00 C ATOM 1490 CD1 LEU A 96 -7.531 -0.831 4.595 1.00 0.00 C ATOM 1491 CD2 LEU A 96 -7.570 -3.116 3.617 1.00 0.00 C ATOM 0 H LEU A 96 -11.745 -2.424 5.887 1.00 0.00 H new ATOM 0 HA LEU A 96 -9.868 -0.254 5.500 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -9.381 -2.716 5.503 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -10.257 -2.839 3.989 1.00 0.00 H new ATOM 0 HG LEU A 96 -8.639 -1.413 2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.623 -0.613 4.032 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.103 0.087 4.731 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -7.264 -1.240 5.569 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.657 -2.884 3.070 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -7.313 -3.552 4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -8.165 -3.827 3.044 1.00 0.00 H new ATOM 1503 N GLN A 97 -12.185 -0.983 3.340 1.00 0.00 N ATOM 1504 CA GLN A 97 -13.075 -0.446 2.326 1.00 0.00 C ATOM 1505 C GLN A 97 -13.705 0.865 2.751 1.00 0.00 C ATOM 1506 O GLN A 97 -13.979 1.723 1.927 1.00 0.00 O ATOM 1507 CB GLN A 97 -14.141 -1.477 1.959 1.00 0.00 C ATOM 1508 CG GLN A 97 -14.616 -2.350 3.109 1.00 0.00 C ATOM 1509 CD GLN A 97 -15.511 -3.483 2.635 1.00 0.00 C ATOM 1510 OE1 GLN A 97 -14.966 -4.702 2.616 1.00 0.00 O flip ATOM 1511 NE2 GLN A 97 -16.648 -3.261 2.224 1.00 0.00 N flip ATOM 0 H GLN A 97 -12.441 -1.918 3.657 1.00 0.00 H new ATOM 0 HA GLN A 97 -12.475 -0.231 1.441 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -15.001 -0.954 1.541 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -13.746 -2.121 1.173 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -13.753 -2.764 3.630 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -15.158 -1.737 3.829 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -17.026 -2.314 2.257 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -17.213 -4.023 1.850 1.00 0.00 H new ATOM 1520 N GLN A 98 -13.836 1.051 4.042 1.00 0.00 N ATOM 1521 CA GLN A 98 -14.326 2.302 4.579 1.00 0.00 C ATOM 1522 C GLN A 98 -13.271 3.389 4.452 1.00 0.00 C ATOM 1523 O GLN A 98 -13.553 4.496 3.986 1.00 0.00 O ATOM 1524 CB GLN A 98 -14.749 2.103 6.036 1.00 0.00 C ATOM 1525 CG GLN A 98 -16.083 1.386 6.191 1.00 0.00 C ATOM 1526 CD GLN A 98 -17.268 2.208 5.704 1.00 0.00 C ATOM 1527 OE1 GLN A 98 -17.038 3.477 5.398 1.00 0.00 O flip ATOM 1528 NE2 GLN A 98 -18.395 1.717 5.648 1.00 0.00 N flip ATOM 0 H GLN A 98 -13.609 0.349 4.746 1.00 0.00 H new ATOM 0 HA GLN A 98 -15.196 2.624 4.007 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -13.978 1.534 6.555 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -14.810 3.076 6.524 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -16.049 0.447 5.638 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -16.232 1.133 7.241 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -18.537 0.736 5.890 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -19.187 2.291 5.359 1.00 0.00 H new ATOM 1537 N LEU A 99 -12.060 3.056 4.861 1.00 0.00 N ATOM 1538 CA LEU A 99 -10.944 3.989 4.801 1.00 0.00 C ATOM 1539 C LEU A 99 -10.587 4.309 3.359 1.00 0.00 C ATOM 1540 O LEU A 99 -10.401 5.472 2.998 1.00 0.00 O ATOM 1541 CB LEU A 99 -9.721 3.382 5.490 1.00 0.00 C ATOM 1542 CG LEU A 99 -9.972 2.812 6.883 1.00 0.00 C ATOM 1543 CD1 LEU A 99 -8.688 2.238 7.459 1.00 0.00 C ATOM 1544 CD2 LEU A 99 -10.540 3.878 7.807 1.00 0.00 C ATOM 0 H LEU A 99 -11.821 2.140 5.241 1.00 0.00 H new ATOM 0 HA LEU A 99 -11.241 4.907 5.308 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -9.325 2.588 4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.948 4.147 5.563 1.00 0.00 H new ATOM 0 HG LEU A 99 -10.704 2.009 6.798 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.883 1.835 8.453 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -8.322 1.442 6.810 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.936 3.024 7.527 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -10.711 3.450 8.795 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -9.833 4.704 7.887 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -11.483 4.245 7.402 1.00 0.00 H new ATOM 1556 N ILE A 100 -10.466 3.265 2.547 1.00 0.00 N ATOM 1557 CA ILE A 100 -10.091 3.428 1.150 1.00 0.00 C ATOM 1558 C ILE A 100 -11.137 4.252 0.420 1.00 0.00 C ATOM 1559 O ILE A 100 -10.796 5.165 -0.318 1.00 0.00 O ATOM 1560 CB ILE A 100 -9.934 2.078 0.418 1.00 0.00 C ATOM 1561 CG1 ILE A 100 -8.886 1.184 1.088 1.00 0.00 C ATOM 1562 CG2 ILE A 100 -9.550 2.325 -1.035 1.00 0.00 C ATOM 1563 CD1 ILE A 100 -7.464 1.675 0.929 1.00 0.00 C ATOM 0 H ILE A 100 -10.622 2.298 2.833 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.126 3.935 1.144 1.00 0.00 H new ATOM 0 HB ILE A 100 -10.891 1.558 0.467 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.116 1.107 2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.961 0.179 0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.440 1.370 -1.550 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -10.328 2.912 -1.522 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -8.607 2.870 -1.074 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.783 0.987 1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.213 1.725 -0.130 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.370 2.667 1.372 1.00 0.00 H new ATOM 1575 N LYS A 101 -12.409 3.909 0.618 1.00 0.00 N ATOM 1576 CA LYS A 101 -13.504 4.595 -0.051 1.00 0.00 C ATOM 1577 C LYS A 101 -13.473 6.085 0.205 1.00 0.00 C ATOM 1578 O LYS A 101 -13.615 6.877 -0.721 1.00 0.00 O ATOM 1579 CB LYS A 101 -14.844 4.038 0.411 1.00 0.00 C ATOM 1580 CG LYS A 101 -16.028 4.847 -0.079 1.00 0.00 C ATOM 1581 CD LYS A 101 -17.350 4.277 0.417 1.00 0.00 C ATOM 1582 CE LYS A 101 -17.416 4.239 1.934 1.00 0.00 C ATOM 1583 NZ LYS A 101 -18.708 3.685 2.419 1.00 0.00 N ATOM 0 H LYS A 101 -12.703 3.156 1.240 1.00 0.00 H new ATOM 0 HA LYS A 101 -13.381 4.425 -1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -14.944 3.011 0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -14.860 4.005 1.500 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -15.928 5.878 0.259 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -16.028 4.867 -1.169 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -18.173 4.880 0.033 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -17.482 3.270 0.022 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -16.595 3.634 2.318 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -17.282 5.246 2.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -18.713 3.676 3.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -19.491 4.276 2.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -18.825 2.715 2.064 1.00 0.00 H new ATOM 1597 N GLU A 102 -13.302 6.464 1.460 1.00 0.00 N ATOM 1598 CA GLU A 102 -13.276 7.869 1.824 1.00 0.00 C ATOM 1599 C GLU A 102 -12.203 8.593 1.022 1.00 0.00 C ATOM 1600 O GLU A 102 -12.455 9.638 0.426 1.00 0.00 O ATOM 1601 CB GLU A 102 -13.009 8.020 3.322 1.00 0.00 C ATOM 1602 CG GLU A 102 -13.009 9.460 3.802 1.00 0.00 C ATOM 1603 CD GLU A 102 -12.680 9.579 5.274 1.00 0.00 C ATOM 1604 OE1 GLU A 102 -11.569 9.175 5.673 1.00 0.00 O ATOM 1605 OE2 GLU A 102 -13.532 10.076 6.040 1.00 0.00 O ATOM 0 H GLU A 102 -13.179 5.820 2.242 1.00 0.00 H new ATOM 0 HA GLU A 102 -14.246 8.312 1.596 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -13.766 7.463 3.874 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -12.045 7.568 3.557 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -12.284 10.033 3.223 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -13.987 9.902 3.615 1.00 0.00 H new ATOM 1612 N THR A 103 -11.026 7.992 0.971 1.00 0.00 N ATOM 1613 CA THR A 103 -9.920 8.529 0.204 1.00 0.00 C ATOM 1614 C THR A 103 -10.174 8.456 -1.306 1.00 0.00 C ATOM 1615 O THR A 103 -10.015 9.442 -2.021 1.00 0.00 O ATOM 1616 CB THR A 103 -8.631 7.758 0.525 1.00 0.00 C ATOM 1617 OG1 THR A 103 -8.345 7.823 1.925 1.00 0.00 O ATOM 1618 CG2 THR A 103 -7.467 8.313 -0.256 1.00 0.00 C ATOM 0 H THR A 103 -10.813 7.122 1.459 1.00 0.00 H new ATOM 0 HA THR A 103 -9.818 9.577 0.485 1.00 0.00 H new ATOM 0 HB THR A 103 -8.782 6.717 0.239 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.894 7.166 2.402 1.00 0.00 H new ATOM 0 HG21 THR A 103 -6.565 7.752 -0.013 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.671 8.227 -1.323 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.322 9.362 0.003 1.00 0.00 H new ATOM 1626 N ALA A 104 -10.474 7.265 -1.792 1.00 0.00 N ATOM 1627 CA ALA A 104 -10.627 7.031 -3.219 1.00 0.00 C ATOM 1628 C ALA A 104 -11.757 7.851 -3.811 1.00 0.00 C ATOM 1629 O ALA A 104 -11.575 8.496 -4.830 1.00 0.00 O ATOM 1630 CB ALA A 104 -10.850 5.553 -3.486 1.00 0.00 C ATOM 0 H ALA A 104 -10.618 6.437 -1.214 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.705 7.349 -3.705 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -10.963 5.390 -4.558 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -9.995 4.984 -3.121 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -11.752 5.222 -2.971 1.00 0.00 H new ATOM 1636 N ALA A 105 -12.925 7.805 -3.194 1.00 0.00 N ATOM 1637 CA ALA A 105 -14.088 8.514 -3.710 1.00 0.00 C ATOM 1638 C ALA A 105 -13.829 10.012 -3.844 1.00 0.00 C ATOM 1639 O ALA A 105 -14.229 10.628 -4.828 1.00 0.00 O ATOM 1640 CB ALA A 105 -15.300 8.243 -2.837 1.00 0.00 C ATOM 0 H ALA A 105 -13.095 7.284 -2.334 1.00 0.00 H new ATOM 0 HA ALA A 105 -14.290 8.137 -4.713 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -16.162 8.779 -3.234 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -15.510 7.174 -2.828 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -15.099 8.581 -1.821 1.00 0.00 H new ATOM 1646 N LYS A 106 -13.156 10.605 -2.862 1.00 0.00 N ATOM 1647 CA LYS A 106 -12.857 12.030 -2.917 1.00 0.00 C ATOM 1648 C LYS A 106 -11.776 12.334 -3.954 1.00 0.00 C ATOM 1649 O LYS A 106 -11.713 13.443 -4.481 1.00 0.00 O ATOM 1650 CB LYS A 106 -12.506 12.597 -1.524 1.00 0.00 C ATOM 1651 CG LYS A 106 -11.257 12.026 -0.866 1.00 0.00 C ATOM 1652 CD LYS A 106 -9.963 12.604 -1.429 1.00 0.00 C ATOM 1653 CE LYS A 106 -9.833 14.095 -1.158 1.00 0.00 C ATOM 1654 NZ LYS A 106 -9.720 14.385 0.297 1.00 0.00 N ATOM 0 H LYS A 106 -12.812 10.127 -2.029 1.00 0.00 H new ATOM 0 HA LYS A 106 -13.763 12.542 -3.242 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.384 13.677 -1.613 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.353 12.426 -0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -11.298 12.220 0.206 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.250 10.944 -0.994 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -9.113 12.081 -0.991 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.926 12.427 -2.504 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -8.955 14.483 -1.675 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -10.699 14.615 -1.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -9.448 15.380 0.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -10.636 14.210 0.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -8.997 13.768 0.719 1.00 0.00 H new ATOM 1668 N TYR A 107 -10.937 11.346 -4.267 1.00 0.00 N ATOM 1669 CA TYR A 107 -9.893 11.543 -5.266 1.00 0.00 C ATOM 1670 C TYR A 107 -10.388 11.221 -6.667 1.00 0.00 C ATOM 1671 O TYR A 107 -10.098 11.947 -7.616 1.00 0.00 O ATOM 1672 CB TYR A 107 -8.619 10.752 -4.944 1.00 0.00 C ATOM 1673 CG TYR A 107 -7.805 11.347 -3.818 1.00 0.00 C ATOM 1674 CD1 TYR A 107 -7.321 12.644 -3.911 1.00 0.00 C ATOM 1675 CD2 TYR A 107 -7.516 10.625 -2.664 1.00 0.00 C ATOM 1676 CE1 TYR A 107 -6.580 13.203 -2.894 1.00 0.00 C ATOM 1677 CE2 TYR A 107 -6.778 11.171 -1.647 1.00 0.00 C ATOM 1678 CZ TYR A 107 -6.309 12.466 -1.763 1.00 0.00 C ATOM 1679 OH TYR A 107 -5.570 13.031 -0.748 1.00 0.00 O ATOM 0 H TYR A 107 -10.960 10.416 -3.849 1.00 0.00 H new ATOM 0 HA TYR A 107 -9.634 12.601 -5.233 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.893 9.730 -4.682 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -8.000 10.697 -5.839 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.529 13.226 -4.797 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -7.881 9.613 -2.568 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.213 14.215 -2.983 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -6.564 10.593 -0.760 1.00 0.00 H new ATOM 0 HH TYR A 107 -5.081 12.329 -0.270 1.00 0.00 H new ATOM 1689 N LYS A 108 -11.147 10.145 -6.791 1.00 0.00 N ATOM 1690 CA LYS A 108 -11.703 9.748 -8.071 1.00 0.00 C ATOM 1691 C LYS A 108 -12.837 10.698 -8.462 1.00 0.00 C ATOM 1692 O LYS A 108 -12.999 11.780 -7.891 1.00 0.00 O ATOM 1693 CB LYS A 108 -12.256 8.311 -7.994 1.00 0.00 C ATOM 1694 CG LYS A 108 -11.311 7.222 -7.468 1.00 0.00 C ATOM 1695 CD LYS A 108 -10.044 7.043 -8.296 1.00 0.00 C ATOM 1696 CE LYS A 108 -9.016 8.118 -8.006 1.00 0.00 C ATOM 1697 NZ LYS A 108 -7.781 7.937 -8.813 1.00 0.00 N ATOM 0 H LYS A 108 -11.392 9.529 -6.016 1.00 0.00 H new ATOM 0 HA LYS A 108 -10.911 9.790 -8.819 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -13.142 8.324 -7.360 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -12.583 8.021 -8.993 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -11.031 7.464 -6.443 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -11.848 6.274 -7.437 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -9.612 6.064 -8.089 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -10.298 7.062 -9.356 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.446 9.097 -8.216 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -8.763 8.101 -6.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -7.104 8.692 -8.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -7.356 7.013 -8.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -8.018 7.979 -9.825 1.00 0.00 H new ATOM 1711 N SER A 109 -13.714 10.196 -9.298 1.00 0.00 N ATOM 1712 CA SER A 109 -14.956 10.867 -9.628 1.00 0.00 C ATOM 1713 C SER A 109 -15.980 10.570 -8.533 1.00 0.00 C ATOM 1714 O SER A 109 -15.611 10.244 -7.403 1.00 0.00 O ATOM 1715 CB SER A 109 -15.425 10.362 -11.001 1.00 0.00 C ATOM 1716 OG SER A 109 -16.610 11.005 -11.445 1.00 0.00 O ATOM 0 H SER A 109 -13.588 9.303 -9.774 1.00 0.00 H new ATOM 0 HA SER A 109 -14.826 11.948 -9.683 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.633 10.523 -11.733 1.00 0.00 H new ATOM 0 HB3 SER A 109 -15.597 9.287 -10.949 1.00 0.00 H new ATOM 0 HG SER A 109 -16.866 10.650 -12.322 1.00 0.00 H new ATOM 1722 N GLU A 110 -17.232 10.471 -8.919 1.00 0.00 N ATOM 1723 CA GLU A 110 -18.272 9.963 -8.027 1.00 0.00 C ATOM 1724 C GLU A 110 -18.216 8.434 -7.997 1.00 0.00 C ATOM 1725 O GLU A 110 -19.219 7.752 -8.212 1.00 0.00 O ATOM 1726 CB GLU A 110 -19.648 10.437 -8.489 1.00 0.00 C ATOM 1727 CG GLU A 110 -19.769 11.949 -8.564 1.00 0.00 C ATOM 1728 CD GLU A 110 -21.146 12.403 -8.986 1.00 0.00 C ATOM 1729 OE1 GLU A 110 -21.591 12.028 -10.090 1.00 0.00 O ATOM 1730 OE2 GLU A 110 -21.791 13.141 -8.213 1.00 0.00 O ATOM 0 H GLU A 110 -17.564 10.734 -9.847 1.00 0.00 H new ATOM 0 HA GLU A 110 -18.100 10.347 -7.021 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -19.860 10.013 -9.471 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -20.405 10.052 -7.806 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -19.532 12.377 -7.590 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -19.032 12.334 -9.269 1.00 0.00 H new ATOM 1737 N GLU A 111 -17.003 7.921 -7.885 1.00 0.00 N ATOM 1738 CA GLU A 111 -16.737 6.499 -8.003 1.00 0.00 C ATOM 1739 C GLU A 111 -17.205 5.715 -6.771 1.00 0.00 C ATOM 1740 O GLU A 111 -17.022 6.152 -5.631 1.00 0.00 O ATOM 1741 CB GLU A 111 -15.241 6.299 -8.271 1.00 0.00 C ATOM 1742 CG GLU A 111 -14.778 6.922 -9.584 1.00 0.00 C ATOM 1743 CD GLU A 111 -15.478 6.366 -10.813 1.00 0.00 C ATOM 1744 OE1 GLU A 111 -16.322 5.459 -10.682 1.00 0.00 O ATOM 1745 OE2 GLU A 111 -15.182 6.840 -11.930 1.00 0.00 O ATOM 0 H GLU A 111 -16.170 8.483 -7.709 1.00 0.00 H new ATOM 0 HA GLU A 111 -17.311 6.101 -8.839 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -14.670 6.732 -7.450 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -15.020 5.232 -8.285 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -14.942 7.999 -9.541 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -13.704 6.767 -9.689 1.00 0.00 H new ATOM 1752 N PRO A 112 -17.877 4.569 -7.000 1.00 0.00 N ATOM 1753 CA PRO A 112 -18.441 3.728 -5.935 1.00 0.00 C ATOM 1754 C PRO A 112 -17.419 2.820 -5.245 1.00 0.00 C ATOM 1755 O PRO A 112 -17.692 1.644 -4.969 1.00 0.00 O ATOM 1756 CB PRO A 112 -19.456 2.874 -6.668 1.00 0.00 C ATOM 1757 CG PRO A 112 -18.936 2.761 -8.058 1.00 0.00 C ATOM 1758 CD PRO A 112 -18.185 4.035 -8.337 1.00 0.00 C ATOM 0 HA PRO A 112 -18.845 4.346 -5.133 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -19.555 1.893 -6.203 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -20.444 3.335 -6.653 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -18.282 1.895 -8.158 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -19.752 2.628 -8.768 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -17.277 3.846 -8.910 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -18.787 4.734 -8.917 1.00 0.00 H new ATOM 1766 N ASP A 113 -16.266 3.376 -4.966 1.00 0.00 N ATOM 1767 CA ASP A 113 -15.173 2.679 -4.302 1.00 0.00 C ATOM 1768 C ASP A 113 -15.555 2.144 -2.949 1.00 0.00 C ATOM 1769 O ASP A 113 -16.173 2.828 -2.142 1.00 0.00 O ATOM 1770 CB ASP A 113 -13.969 3.600 -4.100 1.00 0.00 C ATOM 1771 CG ASP A 113 -13.348 4.062 -5.404 1.00 0.00 C ATOM 1772 OD1 ASP A 113 -14.029 4.778 -6.157 1.00 0.00 O ATOM 1773 OD2 ASP A 113 -12.187 3.698 -5.682 1.00 0.00 O ATOM 0 H ASP A 113 -16.049 4.346 -5.196 1.00 0.00 H new ATOM 0 HA ASP A 113 -14.924 1.848 -4.962 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.279 4.471 -3.523 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -13.215 3.079 -3.510 1.00 0.00 H new ATOM 1778 N ALA A 114 -14.852 1.097 -2.625 1.00 0.00 N ATOM 1779 CA ALA A 114 -14.718 0.647 -1.260 1.00 0.00 C ATOM 1780 C ALA A 114 -13.231 0.622 -0.955 1.00 0.00 C ATOM 1781 O ALA A 114 -12.555 1.629 -1.099 1.00 0.00 O ATOM 1782 CB ALA A 114 -15.360 -0.715 -1.020 1.00 0.00 C ATOM 0 H ALA A 114 -14.350 0.524 -3.303 1.00 0.00 H new ATOM 0 HA ALA A 114 -15.247 1.327 -0.592 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -15.227 -1.001 0.023 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -16.424 -0.661 -1.249 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -14.888 -1.458 -1.663 1.00 0.00 H new ATOM 1788 N GLU A 115 -12.724 -0.563 -0.685 1.00 0.00 N ATOM 1789 CA GLU A 115 -11.300 -0.807 -0.533 1.00 0.00 C ATOM 1790 C GLU A 115 -10.644 -0.950 -1.911 1.00 0.00 C ATOM 1791 O GLU A 115 -10.236 -2.067 -2.262 1.00 0.00 O ATOM 1792 CB GLU A 115 -11.165 -2.074 0.304 1.00 0.00 C ATOM 1793 CG GLU A 115 -9.779 -2.632 0.508 1.00 0.00 C ATOM 1794 CD GLU A 115 -9.850 -3.904 1.316 1.00 0.00 C ATOM 1795 OE1 GLU A 115 -10.940 -4.178 1.884 1.00 0.00 O ATOM 1796 OE2 GLU A 115 -8.832 -4.611 1.420 1.00 0.00 O ATOM 1797 OXT GLU A 115 -10.613 0.043 -2.663 1.00 0.00 O ATOM 0 H GLU A 115 -13.296 -1.398 -0.563 1.00 0.00 H new ATOM 0 HA GLU A 115 -10.793 0.020 -0.036 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -11.595 -1.875 1.286 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -11.774 -2.850 -0.160 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -9.312 -2.830 -0.457 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -9.155 -1.900 1.021 1.00 0.00 H new TER 1804 GLU A 115