USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 855 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 88 HIS : no HD1:sc= -4.76! C(o=-4.5!,f=-24!) USER MOD Set 1.2: A 106 TYR OH : rot -128:sc= 0.27 USER MOD Set 2.1: A 92 LYS NZ :NH3+ -150:sc= 1.03 (180deg=-1.51!) USER MOD Set 2.2: A 94 SER OG : rot -165:sc= -1.9! USER MOD Set 3.1: A 30 CYS SG : rot -36:sc= -0.874 USER MOD Set 3.2: A 81 LYS NZ :NH3+ 140:sc= -1.42! (180deg=-5.27!) USER MOD Set 4.1: A 71 HIS :FLIP no HD1:sc= -5.64! C(o=-6.4!,f=-5.6!) USER MOD Set 4.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 60 SER OG : rot 139:sc= 0.118! USER MOD Set 5.2: A 72 HIS : no HD1:sc= -2.87! C(o=-2.8!,f=-25!) USER MOD Set 6.1: A 9 GLN :FLIP amide:sc=-0.00247 F(o=-3.4,f=-1.8) USER MOD Set 6.2: A 99 GLN : amide:sc= -1.78! C(o=-1.8!,f=-17!) USER MOD Single : A 5 SER OG : rot -21:sc= 0.682 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00283 USER MOD Single : A 12 ASN :FLIP amide:sc= -3.34 F(o=-4.5!,f=-3.3) USER MOD Single : A 16 SER OG : rot -110:sc= 0.877 USER MOD Single : A 17 MET CE :methyl -122:sc= -2.46 (180deg=-6.05!) USER MOD Single : A 20 LYS NZ :NH3+ -177:sc= 0.182 (180deg=0.0748) USER MOD Single : A 21 ASN : amide:sc= -4.83! C(o=-4.8!,f=-16!) USER MOD Single : A 22 LYS NZ :NH3+ 137:sc= -1.77! (180deg=-2.67!) USER MOD Single : A 26 SER OG : rot 96:sc= 1.14 USER MOD Single : A 29 GLN : amide:sc= -0.439 X(o=-0.44,f=-0.64) USER MOD Single : A 35 THR OG1 : rot 62:sc= 1.21 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 157:sc= -0.0381 (180deg=-0.499) USER MOD Single : A 43 TYR OH : rot 119:sc= 1.21 USER MOD Single : A 61 THR OG1 : rot -3:sc= -0.861! USER MOD Single : A 62 LYS NZ :NH3+ -157:sc= 0.608 (180deg=0.224) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -129:sc= 0.167 (180deg=-2.88!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0215 USER MOD Single : A 74 MET CE :methyl 157:sc= -0.0297 (180deg=-0.519) USER MOD Single : A 77 HIS : no HE2:sc= -5.29! C(o=-5.3!,f=-11!) USER MOD Single : A 80 SER OG : rot 77:sc= 0.191 USER MOD Single : A 82 LYS NZ :NH3+ 174:sc= 0.297 (180deg=-0.00471) USER MOD Single : A 83 LYS NZ :NH3+ 159:sc= 0.652! (180deg=-0.134!) USER MOD Single : A 104 ASN : amide:sc= -4.18! C(o=-4.2!,f=-4!) USER MOD Single : A 105 MET CE :methyl 144:sc= -1.62 (180deg=-5.7!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 54:sc= 1.29 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 154:sc= -0.162 (180deg=-0.893) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 5 1.405 -1.943 16.729 1.00 0.00 N ATOM 43 CA SER A 5 0.759 -0.878 15.971 1.00 0.00 C ATOM 44 C SER A 5 1.521 -0.535 14.696 1.00 0.00 C ATOM 45 O SER A 5 1.106 0.337 13.927 1.00 0.00 O ATOM 46 CB SER A 5 0.597 0.356 16.857 1.00 0.00 C ATOM 47 OG SER A 5 1.644 0.379 17.834 1.00 0.00 O ATOM 0 HA SER A 5 -0.224 -1.233 15.662 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.631 1.261 16.250 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.375 0.339 17.350 1.00 0.00 H new ATOM 0 HG SER A 5 2.009 -0.524 17.943 1.00 0.00 H new ATOM 53 N GLY A 6 2.644 -1.202 14.483 1.00 0.00 N ATOM 54 CA GLY A 6 3.481 -0.918 13.328 1.00 0.00 C ATOM 55 C GLY A 6 2.697 -1.040 12.034 1.00 0.00 C ATOM 56 O GLY A 6 2.769 -0.158 11.179 1.00 0.00 O ATOM 0 H GLY A 6 2.996 -1.941 15.092 1.00 0.00 H new ATOM 0 HA2 GLY A 6 3.892 0.088 13.413 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.325 -1.607 13.310 1.00 0.00 H new ATOM 60 N ASP A 7 1.883 -2.084 11.921 1.00 0.00 N ATOM 61 CA ASP A 7 1.059 -2.258 10.725 1.00 0.00 C ATOM 62 C ASP A 7 0.143 -1.072 10.575 1.00 0.00 C ATOM 63 O ASP A 7 0.045 -0.471 9.506 1.00 0.00 O ATOM 64 CB ASP A 7 0.181 -3.518 10.847 1.00 0.00 C ATOM 65 CG ASP A 7 -0.795 -3.393 12.022 1.00 0.00 C ATOM 66 OD1 ASP A 7 -0.429 -2.813 13.025 1.00 0.00 O ATOM 67 OD2 ASP A 7 -1.889 -3.868 11.900 1.00 0.00 O ATOM 0 H ASP A 7 1.775 -2.812 12.627 1.00 0.00 H new ATOM 0 HA ASP A 7 1.722 -2.354 9.865 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.375 -3.670 9.922 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.813 -4.395 10.986 1.00 0.00 H new ATOM 72 N THR A 8 -0.485 -0.720 11.666 1.00 0.00 N ATOM 73 CA THR A 8 -1.391 0.386 11.703 1.00 0.00 C ATOM 74 C THR A 8 -0.647 1.664 11.389 1.00 0.00 C ATOM 75 O THR A 8 -1.061 2.443 10.530 1.00 0.00 O ATOM 76 CB THR A 8 -2.034 0.464 13.087 1.00 0.00 C ATOM 77 OG1 THR A 8 -2.524 -0.832 13.462 1.00 0.00 O ATOM 78 CG2 THR A 8 -3.193 1.462 13.067 1.00 0.00 C ATOM 0 H THR A 8 -0.378 -1.200 12.559 1.00 0.00 H new ATOM 0 HA THR A 8 -2.174 0.249 10.957 1.00 0.00 H new ATOM 0 HB THR A 8 -1.288 0.795 13.810 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.935 -0.782 14.350 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.647 1.513 14.057 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.820 2.447 12.788 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.940 1.138 12.342 1.00 0.00 H new ATOM 86 N GLN A 9 0.490 1.848 12.035 1.00 0.00 N ATOM 87 CA GLN A 9 1.296 3.020 11.790 1.00 0.00 C ATOM 88 C GLN A 9 1.773 3.036 10.356 1.00 0.00 C ATOM 89 O GLN A 9 1.629 4.044 9.661 1.00 0.00 O ATOM 90 CB GLN A 9 2.489 3.053 12.743 1.00 0.00 C ATOM 91 CG GLN A 9 2.076 3.704 14.066 1.00 0.00 C ATOM 92 CD GLN A 9 2.209 5.226 13.977 1.00 0.00 C ATOM 93 OE1 GLN A 9 2.180 5.815 12.812 1.00 0.00 O flip ATOM 94 NE2 GLN A 9 2.348 5.903 14.997 1.00 0.00 N flip ATOM 0 H GLN A 9 0.870 1.203 12.728 1.00 0.00 H new ATOM 0 HA GLN A 9 0.685 3.905 11.966 1.00 0.00 H new ATOM 0 HB2 GLN A 9 2.851 2.041 12.922 1.00 0.00 H new ATOM 0 HB3 GLN A 9 3.311 3.611 12.293 1.00 0.00 H new ATOM 0 HG2 GLN A 9 1.047 3.436 14.305 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.700 3.325 14.875 1.00 0.00 H new ATOM 0 HE21 GLN A 9 2.372 5.450 15.911 1.00 0.00 H new ATOM 0 HE22 GLN A 9 2.439 6.917 14.928 1.00 0.00 H new ATOM 103 N LEU A 10 2.292 1.912 9.892 1.00 0.00 N ATOM 104 CA LEU A 10 2.743 1.833 8.520 1.00 0.00 C ATOM 105 C LEU A 10 1.565 2.024 7.593 1.00 0.00 C ATOM 106 O LEU A 10 1.631 2.806 6.652 1.00 0.00 O ATOM 107 CB LEU A 10 3.427 0.487 8.230 1.00 0.00 C ATOM 108 CG LEU A 10 4.763 0.341 9.009 1.00 0.00 C ATOM 109 CD1 LEU A 10 5.804 -0.361 8.132 1.00 0.00 C ATOM 110 CD2 LEU A 10 5.312 1.705 9.470 1.00 0.00 C ATOM 0 H LEU A 10 2.409 1.057 10.437 1.00 0.00 H new ATOM 0 HA LEU A 10 3.477 2.621 8.354 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.756 -0.328 8.502 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.618 0.399 7.160 1.00 0.00 H new ATOM 0 HG LEU A 10 4.561 -0.256 9.898 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.738 -0.460 8.685 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.439 -1.350 7.856 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.976 0.227 7.231 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.247 1.557 10.011 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.492 2.338 8.601 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.586 2.187 10.125 1.00 0.00 H new ATOM 122 N PHE A 11 0.450 1.388 7.925 1.00 0.00 N ATOM 123 CA PHE A 11 -0.769 1.558 7.156 1.00 0.00 C ATOM 124 C PHE A 11 -1.227 3.003 7.179 1.00 0.00 C ATOM 125 O PHE A 11 -1.524 3.581 6.136 1.00 0.00 O ATOM 126 CB PHE A 11 -1.875 0.645 7.686 1.00 0.00 C ATOM 127 CG PHE A 11 -3.175 0.985 6.993 1.00 0.00 C ATOM 128 CD1 PHE A 11 -3.416 0.571 5.670 1.00 0.00 C ATOM 129 CD2 PHE A 11 -4.137 1.735 7.677 1.00 0.00 C ATOM 130 CE1 PHE A 11 -4.618 0.914 5.051 1.00 0.00 C ATOM 131 CE2 PHE A 11 -5.334 2.069 7.054 1.00 0.00 C ATOM 132 CZ PHE A 11 -5.576 1.661 5.742 1.00 0.00 C ATOM 0 H PHE A 11 0.367 0.753 8.719 1.00 0.00 H new ATOM 0 HA PHE A 11 -0.554 1.281 6.124 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.617 -0.399 7.509 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.980 0.769 8.764 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.676 -0.008 5.138 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.950 2.055 8.691 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.809 0.601 4.035 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.077 2.645 7.586 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.506 1.923 5.259 1.00 0.00 H new ATOM 142 N ASN A 12 -1.255 3.599 8.364 1.00 0.00 N ATOM 143 CA ASN A 12 -1.692 4.986 8.495 1.00 0.00 C ATOM 144 C ASN A 12 -0.772 5.857 7.689 1.00 0.00 C ATOM 145 O ASN A 12 -1.211 6.711 6.912 1.00 0.00 O ATOM 146 CB ASN A 12 -1.581 5.431 9.953 1.00 0.00 C ATOM 147 CG ASN A 12 -2.606 4.730 10.817 1.00 0.00 C ATOM 148 OD1 ASN A 12 -2.318 4.472 12.051 1.00 0.00 O flip ATOM 149 ND2 ASN A 12 -3.691 4.391 10.350 1.00 0.00 N flip ATOM 0 H ASN A 12 -0.984 3.152 9.240 1.00 0.00 H new ATOM 0 HA ASN A 12 -2.723 5.068 8.152 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.579 5.217 10.326 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.722 6.510 10.019 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -3.914 4.597 9.376 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -4.369 3.904 10.936 1.00 0.00 H new ATOM 156 N ARG A 13 0.506 5.582 7.823 1.00 0.00 N ATOM 157 CA ARG A 13 1.520 6.277 7.079 1.00 0.00 C ATOM 158 C ARG A 13 1.382 5.993 5.588 1.00 0.00 C ATOM 159 O ARG A 13 1.547 6.880 4.772 1.00 0.00 O ATOM 160 CB ARG A 13 2.886 5.840 7.587 1.00 0.00 C ATOM 161 CG ARG A 13 3.129 6.423 8.995 1.00 0.00 C ATOM 162 CD ARG A 13 4.418 5.827 9.571 1.00 0.00 C ATOM 163 NE ARG A 13 4.759 6.402 10.869 1.00 0.00 N ATOM 164 CZ ARG A 13 5.482 7.518 10.997 1.00 0.00 C ATOM 165 NH1 ARG A 13 5.874 8.173 9.938 1.00 0.00 N ATOM 166 NH2 ARG A 13 5.798 7.942 12.184 1.00 0.00 N ATOM 0 H ARG A 13 0.868 4.867 8.454 1.00 0.00 H new ATOM 0 HA ARG A 13 1.406 7.352 7.221 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.942 4.752 7.619 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.664 6.179 6.903 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.207 7.509 8.944 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.286 6.195 9.647 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.304 4.748 9.672 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.238 5.997 8.873 1.00 0.00 H new ATOM 0 HE ARG A 13 4.432 5.932 11.713 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.628 7.833 9.008 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.426 9.025 10.040 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.494 7.424 13.008 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.350 8.793 12.291 1.00 0.00 H new ATOM 180 N ALA A 14 1.124 4.739 5.244 1.00 0.00 N ATOM 181 CA ALA A 14 1.013 4.335 3.840 1.00 0.00 C ATOM 182 C ALA A 14 -0.291 4.800 3.203 1.00 0.00 C ATOM 183 O ALA A 14 -0.284 5.389 2.118 1.00 0.00 O ATOM 184 CB ALA A 14 1.124 2.815 3.710 1.00 0.00 C ATOM 0 H ALA A 14 0.987 3.981 5.913 1.00 0.00 H new ATOM 0 HA ALA A 14 1.836 4.815 3.310 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.039 2.532 2.661 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.088 2.486 4.098 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.324 2.342 4.279 1.00 0.00 H new ATOM 190 N VAL A 15 -1.406 4.456 3.832 1.00 0.00 N ATOM 191 CA VAL A 15 -2.721 4.727 3.271 1.00 0.00 C ATOM 192 C VAL A 15 -2.959 6.226 3.099 1.00 0.00 C ATOM 193 O VAL A 15 -3.519 6.667 2.093 1.00 0.00 O ATOM 194 CB VAL A 15 -3.819 4.082 4.151 1.00 0.00 C ATOM 195 CG1 VAL A 15 -4.190 4.995 5.323 1.00 0.00 C ATOM 196 CG2 VAL A 15 -5.069 3.787 3.311 1.00 0.00 C ATOM 0 H VAL A 15 -1.425 3.986 4.737 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.767 4.280 2.278 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.424 3.148 4.550 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.963 4.518 5.925 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.308 5.173 5.939 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.563 5.945 4.940 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.833 3.334 3.942 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.452 4.716 2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.811 3.101 2.504 1.00 0.00 H new ATOM 206 N SER A 16 -2.538 7.007 4.076 1.00 0.00 N ATOM 207 CA SER A 16 -2.777 8.436 4.031 1.00 0.00 C ATOM 208 C SER A 16 -2.164 9.042 2.788 1.00 0.00 C ATOM 209 O SER A 16 -2.771 9.889 2.123 1.00 0.00 O ATOM 210 CB SER A 16 -2.180 9.105 5.269 1.00 0.00 C ATOM 211 OG SER A 16 -0.866 8.594 5.500 1.00 0.00 O ATOM 0 H SER A 16 -2.035 6.681 4.901 1.00 0.00 H new ATOM 0 HA SER A 16 -3.854 8.601 4.009 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.142 10.185 5.129 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.812 8.918 6.137 1.00 0.00 H new ATOM 0 HG SER A 16 -0.870 8.033 6.304 1.00 0.00 H new ATOM 217 N MET A 17 -0.946 8.654 2.503 1.00 0.00 N ATOM 218 CA MET A 17 -0.249 9.208 1.369 1.00 0.00 C ATOM 219 C MET A 17 -0.937 8.819 0.076 1.00 0.00 C ATOM 220 O MET A 17 -1.135 9.653 -0.804 1.00 0.00 O ATOM 221 CB MET A 17 1.195 8.725 1.361 1.00 0.00 C ATOM 222 CG MET A 17 1.838 9.081 2.698 1.00 0.00 C ATOM 223 SD MET A 17 3.614 8.726 2.636 1.00 0.00 S ATOM 224 CE MET A 17 3.498 6.918 2.602 1.00 0.00 C ATOM 0 H MET A 17 -0.420 7.962 3.036 1.00 0.00 H new ATOM 0 HA MET A 17 -0.261 10.295 1.451 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.232 7.648 1.199 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.744 9.190 0.542 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.676 10.136 2.921 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.371 8.510 3.500 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.045 6.502 3.449 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.452 6.619 2.664 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.928 6.543 1.673 1.00 0.00 H new ATOM 234 N VAL A 18 -1.304 7.547 -0.035 1.00 0.00 N ATOM 235 CA VAL A 18 -1.938 7.055 -1.248 1.00 0.00 C ATOM 236 C VAL A 18 -3.351 7.584 -1.434 1.00 0.00 C ATOM 237 O VAL A 18 -3.724 7.970 -2.539 1.00 0.00 O ATOM 238 CB VAL A 18 -1.894 5.522 -1.339 1.00 0.00 C ATOM 239 CG1 VAL A 18 -0.438 5.052 -1.376 1.00 0.00 C ATOM 240 CG2 VAL A 18 -2.591 4.903 -0.131 1.00 0.00 C ATOM 0 H VAL A 18 -1.174 6.845 0.694 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.348 7.450 -2.075 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.407 5.208 -2.248 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.408 3.964 -1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.061 5.481 -2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.072 5.376 -0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.553 3.816 -0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.087 5.221 0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.631 5.229 -0.104 1.00 0.00 H new ATOM 250 N GLU A 19 -4.140 7.621 -0.363 1.00 0.00 N ATOM 251 CA GLU A 19 -5.508 8.100 -0.497 1.00 0.00 C ATOM 252 C GLU A 19 -5.489 9.561 -0.906 1.00 0.00 C ATOM 253 O GLU A 19 -6.419 10.051 -1.541 1.00 0.00 O ATOM 254 CB GLU A 19 -6.279 8.001 0.825 1.00 0.00 C ATOM 255 CG GLU A 19 -6.522 6.552 1.260 1.00 0.00 C ATOM 256 CD GLU A 19 -7.296 6.552 2.583 1.00 0.00 C ATOM 257 OE1 GLU A 19 -7.557 7.637 3.110 1.00 0.00 O ATOM 258 OE2 GLU A 19 -7.632 5.491 3.055 1.00 0.00 O ATOM 0 H GLU A 19 -3.866 7.335 0.577 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.999 7.478 -1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.724 8.522 1.605 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.237 8.511 0.721 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.085 6.018 0.494 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.572 6.030 1.379 1.00 0.00 H new ATOM 265 N LYS A 20 -4.546 10.296 -0.337 1.00 0.00 N ATOM 266 CA LYS A 20 -4.534 11.742 -0.468 1.00 0.00 C ATOM 267 C LYS A 20 -3.611 12.217 -1.597 1.00 0.00 C ATOM 268 O LYS A 20 -3.645 13.393 -1.973 1.00 0.00 O ATOM 269 CB LYS A 20 -4.147 12.377 0.876 1.00 0.00 C ATOM 270 CG LYS A 20 -5.015 11.751 1.998 1.00 0.00 C ATOM 271 CD LYS A 20 -6.495 12.146 1.828 1.00 0.00 C ATOM 272 CE LYS A 20 -7.384 10.881 1.870 1.00 0.00 C ATOM 273 NZ LYS A 20 -7.148 10.109 3.130 1.00 0.00 N ATOM 0 H LYS A 20 -3.781 9.914 0.219 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.538 12.066 -0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.089 12.210 1.081 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.298 13.456 0.840 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.919 10.665 1.976 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.654 12.083 2.971 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.790 12.835 2.619 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.635 12.669 0.882 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.434 11.166 1.804 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.170 10.251 1.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.716 9.238 3.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.140 9.863 3.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.423 10.688 3.949 1.00 0.00 H new ATOM 287 N ASN A 21 -2.834 11.300 -2.177 1.00 0.00 N ATOM 288 CA ASN A 21 -1.959 11.649 -3.308 1.00 0.00 C ATOM 289 C ASN A 21 -2.802 11.989 -4.527 1.00 0.00 C ATOM 290 O ASN A 21 -3.612 11.184 -4.965 1.00 0.00 O ATOM 291 CB ASN A 21 -1.004 10.497 -3.650 1.00 0.00 C ATOM 292 CG ASN A 21 -0.048 10.939 -4.745 1.00 0.00 C ATOM 293 OD1 ASN A 21 -0.488 11.344 -5.812 1.00 0.00 O ATOM 294 ND2 ASN A 21 1.233 10.897 -4.543 1.00 0.00 N ATOM 0 H ASN A 21 -2.789 10.322 -1.890 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.363 12.514 -3.018 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.445 10.199 -2.763 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.571 9.626 -3.978 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.875 11.202 -5.275 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.598 10.559 -3.653 1.00 0.00 H new ATOM 301 N LYS A 22 -2.625 13.189 -5.049 1.00 0.00 N ATOM 302 CA LYS A 22 -3.425 13.673 -6.171 1.00 0.00 C ATOM 303 C LYS A 22 -3.389 12.709 -7.343 1.00 0.00 C ATOM 304 O LYS A 22 -4.418 12.456 -7.995 1.00 0.00 O ATOM 305 CB LYS A 22 -2.940 15.068 -6.616 1.00 0.00 C ATOM 306 CG LYS A 22 -1.540 14.998 -7.272 1.00 0.00 C ATOM 307 CD LYS A 22 -0.492 14.548 -6.247 1.00 0.00 C ATOM 308 CE LYS A 22 0.920 14.833 -6.771 1.00 0.00 C ATOM 309 NZ LYS A 22 1.015 14.491 -8.220 1.00 0.00 N ATOM 0 H LYS A 22 -1.929 13.855 -4.714 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.458 13.745 -5.830 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.653 15.494 -7.322 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.907 15.735 -5.754 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.559 14.303 -8.111 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.270 15.975 -7.673 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.649 15.070 -5.303 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.604 13.483 -6.045 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.165 15.885 -6.622 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.649 14.253 -6.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.540 15.237 -8.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.512 13.584 -8.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.059 14.413 -8.622 1.00 0.00 H new ATOM 323 N ASP A 23 -2.209 12.192 -7.624 1.00 0.00 N ATOM 324 CA ASP A 23 -2.031 11.276 -8.723 1.00 0.00 C ATOM 325 C ASP A 23 -2.856 10.035 -8.468 1.00 0.00 C ATOM 326 O ASP A 23 -3.684 9.638 -9.285 1.00 0.00 O ATOM 327 CB ASP A 23 -0.550 10.883 -8.808 1.00 0.00 C ATOM 328 CG ASP A 23 0.260 11.914 -9.564 1.00 0.00 C ATOM 329 OD1 ASP A 23 -0.237 12.457 -10.526 1.00 0.00 O ATOM 330 OD2 ASP A 23 1.376 12.180 -9.147 1.00 0.00 O ATOM 0 H ASP A 23 -1.357 12.395 -7.100 1.00 0.00 H new ATOM 0 HA ASP A 23 -2.346 11.746 -9.655 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.146 10.768 -7.802 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.458 9.915 -9.301 1.00 0.00 H new ATOM 335 N ILE A 24 -2.696 9.492 -7.282 1.00 0.00 N ATOM 336 CA ILE A 24 -3.465 8.345 -6.863 1.00 0.00 C ATOM 337 C ILE A 24 -4.944 8.706 -6.750 1.00 0.00 C ATOM 338 O ILE A 24 -5.800 7.986 -7.247 1.00 0.00 O ATOM 339 CB ILE A 24 -2.913 7.754 -5.566 1.00 0.00 C ATOM 340 CG1 ILE A 24 -1.514 7.178 -5.840 1.00 0.00 C ATOM 341 CG2 ILE A 24 -3.826 6.618 -5.108 1.00 0.00 C ATOM 342 CD1 ILE A 24 -0.832 6.818 -4.523 1.00 0.00 C ATOM 0 H ILE A 24 -2.033 9.832 -6.585 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.375 7.569 -7.624 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.861 8.526 -4.799 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.593 6.293 -6.472 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.912 7.906 -6.384 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.439 6.191 -4.183 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.830 7.005 -4.937 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.861 5.847 -5.877 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.158 6.411 -4.726 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.738 7.712 -3.906 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.429 6.074 -3.995 1.00 0.00 H new ATOM 354 N ARG A 25 -5.233 9.873 -6.175 1.00 0.00 N ATOM 355 CA ARG A 25 -6.615 10.340 -6.079 1.00 0.00 C ATOM 356 C ARG A 25 -7.240 10.339 -7.446 1.00 0.00 C ATOM 357 O ARG A 25 -8.376 9.878 -7.631 1.00 0.00 O ATOM 358 CB ARG A 25 -6.666 11.771 -5.530 1.00 0.00 C ATOM 359 CG ARG A 25 -6.436 11.795 -4.015 1.00 0.00 C ATOM 360 CD ARG A 25 -6.385 13.252 -3.523 1.00 0.00 C ATOM 361 NE ARG A 25 -7.638 13.941 -3.845 1.00 0.00 N ATOM 362 CZ ARG A 25 -7.845 15.229 -3.551 1.00 0.00 C ATOM 363 NH1 ARG A 25 -6.933 15.910 -2.920 1.00 0.00 N ATOM 364 NH2 ARG A 25 -8.957 15.802 -3.910 1.00 0.00 N ATOM 0 H ARG A 25 -4.540 10.504 -5.774 1.00 0.00 H new ATOM 0 HA ARG A 25 -7.155 9.673 -5.407 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.909 12.380 -6.025 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.634 12.217 -5.760 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -7.236 11.257 -3.507 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.504 11.285 -3.770 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.216 13.274 -2.446 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.547 13.771 -3.988 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.380 13.418 -4.311 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.058 15.461 -2.649 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.093 16.892 -2.697 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.666 15.269 -4.413 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.119 16.784 -3.688 1.00 0.00 H new ATOM 378 N SER A 26 -6.486 10.815 -8.406 1.00 0.00 N ATOM 379 CA SER A 26 -6.923 10.813 -9.772 1.00 0.00 C ATOM 380 C SER A 26 -7.160 9.374 -10.237 1.00 0.00 C ATOM 381 O SER A 26 -8.212 9.064 -10.798 1.00 0.00 O ATOM 382 CB SER A 26 -5.870 11.493 -10.634 1.00 0.00 C ATOM 383 OG SER A 26 -5.617 12.808 -10.124 1.00 0.00 O ATOM 0 H SER A 26 -5.558 11.212 -8.260 1.00 0.00 H new ATOM 0 HA SER A 26 -7.861 11.361 -9.863 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.951 10.908 -10.634 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.212 11.551 -11.667 1.00 0.00 H new ATOM 0 HG SER A 26 -4.838 12.784 -9.529 1.00 0.00 H new ATOM 389 N LEU A 27 -6.226 8.479 -9.900 1.00 0.00 N ATOM 390 CA LEU A 27 -6.383 7.054 -10.218 1.00 0.00 C ATOM 391 C LEU A 27 -7.580 6.485 -9.466 1.00 0.00 C ATOM 392 O LEU A 27 -8.383 5.732 -10.020 1.00 0.00 O ATOM 393 CB LEU A 27 -5.125 6.269 -9.818 1.00 0.00 C ATOM 394 CG LEU A 27 -3.931 6.701 -10.681 1.00 0.00 C ATOM 395 CD1 LEU A 27 -2.655 6.042 -10.159 1.00 0.00 C ATOM 396 CD2 LEU A 27 -4.145 6.286 -12.138 1.00 0.00 C ATOM 0 H LEU A 27 -5.361 8.711 -9.412 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.539 6.959 -11.293 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.902 6.439 -8.765 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.301 5.200 -9.938 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.840 7.786 -10.627 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.809 6.350 -10.773 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.484 6.347 -9.127 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.761 4.958 -10.204 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.289 6.600 -12.735 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.250 5.203 -12.196 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.049 6.759 -12.522 1.00 0.00 H new ATOM 408 N LEU A 28 -7.704 6.879 -8.208 1.00 0.00 N ATOM 409 CA LEU A 28 -8.792 6.419 -7.358 1.00 0.00 C ATOM 410 C LEU A 28 -10.098 7.060 -7.786 1.00 0.00 C ATOM 411 O LEU A 28 -11.184 6.667 -7.327 1.00 0.00 O ATOM 412 CB LEU A 28 -8.511 6.733 -5.872 1.00 0.00 C ATOM 413 CG LEU A 28 -7.272 5.965 -5.371 1.00 0.00 C ATOM 414 CD1 LEU A 28 -6.983 6.359 -3.920 1.00 0.00 C ATOM 415 CD2 LEU A 28 -7.529 4.455 -5.429 1.00 0.00 C ATOM 0 H LEU A 28 -7.058 7.522 -7.750 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.870 5.337 -7.468 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.355 7.804 -5.746 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.378 6.464 -5.269 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.422 6.214 -6.006 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.107 5.817 -3.563 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.794 7.431 -3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.842 6.110 -3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.647 3.922 -5.073 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.383 4.207 -4.798 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.740 4.161 -6.457 1.00 0.00 H new ATOM 427 N GLN A 29 -9.992 8.087 -8.614 1.00 0.00 N ATOM 428 CA GLN A 29 -11.150 8.825 -9.075 1.00 0.00 C ATOM 429 C GLN A 29 -11.807 9.514 -7.889 1.00 0.00 C ATOM 430 O GLN A 29 -13.028 9.534 -7.772 1.00 0.00 O ATOM 431 CB GLN A 29 -12.166 7.871 -9.739 1.00 0.00 C ATOM 432 CG GLN A 29 -11.465 6.939 -10.744 1.00 0.00 C ATOM 433 CD GLN A 29 -10.859 7.737 -11.881 1.00 0.00 C ATOM 434 OE1 GLN A 29 -11.461 8.712 -12.346 1.00 0.00 O ATOM 435 NE2 GLN A 29 -9.711 7.387 -12.366 1.00 0.00 N ATOM 0 H GLN A 29 -9.104 8.429 -8.982 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.831 9.565 -9.808 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.668 7.278 -8.975 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.936 8.450 -10.249 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.686 6.369 -10.237 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.181 6.218 -11.140 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.218 6.582 -11.979 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -9.299 7.916 -13.135 1.00 0.00 H new ATOM 444 N CYS A 30 -10.988 10.000 -6.964 1.00 0.00 N ATOM 445 CA CYS A 30 -11.508 10.613 -5.741 1.00 0.00 C ATOM 446 C CYS A 30 -12.258 11.888 -6.060 1.00 0.00 C ATOM 447 O CYS A 30 -11.716 12.990 -5.976 1.00 0.00 O ATOM 448 CB CYS A 30 -10.384 10.865 -4.727 1.00 0.00 C ATOM 449 SG CYS A 30 -11.046 10.751 -3.046 1.00 0.00 S ATOM 0 H CYS A 30 -9.970 9.984 -7.033 1.00 0.00 H new ATOM 0 HA CYS A 30 -12.210 9.916 -5.284 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -9.586 10.135 -4.865 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -9.947 11.850 -4.891 1.00 0.00 H new ATOM 0 HG CYS A 30 -12.255 11.229 -3.022 1.00 0.00 H new ATOM 455 N ASP A 31 -13.474 11.716 -6.503 1.00 0.00 N ATOM 456 CA ASP A 31 -14.303 12.805 -6.953 1.00 0.00 C ATOM 457 C ASP A 31 -15.310 13.238 -5.898 1.00 0.00 C ATOM 458 O ASP A 31 -16.259 13.974 -6.200 1.00 0.00 O ATOM 459 CB ASP A 31 -14.997 12.416 -8.251 1.00 0.00 C ATOM 460 CG ASP A 31 -15.853 11.162 -8.102 1.00 0.00 C ATOM 461 OD1 ASP A 31 -15.849 10.565 -7.045 1.00 0.00 O ATOM 462 OD2 ASP A 31 -16.488 10.798 -9.079 1.00 0.00 O ATOM 0 H ASP A 31 -13.925 10.803 -6.563 1.00 0.00 H new ATOM 0 HA ASP A 31 -13.660 13.666 -7.135 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -15.624 13.242 -8.586 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.247 12.251 -9.025 1.00 0.00 H new ATOM 467 N ASP A 32 -15.095 12.779 -4.665 1.00 0.00 N ATOM 468 CA ASP A 32 -15.967 13.099 -3.523 1.00 0.00 C ATOM 469 C ASP A 32 -16.696 14.421 -3.718 1.00 0.00 C ATOM 470 O ASP A 32 -16.132 15.497 -3.465 1.00 0.00 O ATOM 471 CB ASP A 32 -15.145 13.162 -2.226 1.00 0.00 C ATOM 472 CG ASP A 32 -14.818 11.775 -1.746 1.00 0.00 C ATOM 473 OD1 ASP A 32 -15.703 11.119 -1.254 1.00 0.00 O ATOM 474 OD2 ASP A 32 -13.677 11.370 -1.874 1.00 0.00 O ATOM 0 H ASP A 32 -14.311 12.173 -4.424 1.00 0.00 H new ATOM 0 HA ASP A 32 -16.711 12.305 -3.454 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -14.225 13.721 -2.398 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -15.705 13.697 -1.459 1.00 0.00 H new ATOM 479 N GLY A 33 -17.966 14.340 -4.080 1.00 0.00 N ATOM 480 CA GLY A 33 -18.785 15.528 -4.247 1.00 0.00 C ATOM 481 C GLY A 33 -19.771 15.365 -5.395 1.00 0.00 C ATOM 482 O GLY A 33 -20.986 15.452 -5.199 1.00 0.00 O ATOM 0 H GLY A 33 -18.452 13.462 -4.264 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -19.329 15.730 -3.324 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -18.145 16.390 -4.435 1.00 0.00 H new ATOM 486 N ILE A 34 -19.257 15.077 -6.583 1.00 0.00 N ATOM 487 CA ILE A 34 -20.116 14.898 -7.758 1.00 0.00 C ATOM 488 C ILE A 34 -21.062 13.737 -7.583 1.00 0.00 C ATOM 489 O ILE A 34 -22.229 13.807 -7.975 1.00 0.00 O ATOM 490 CB ILE A 34 -19.270 14.718 -9.034 1.00 0.00 C ATOM 491 CG1 ILE A 34 -20.159 14.265 -10.210 1.00 0.00 C ATOM 492 CG2 ILE A 34 -18.151 13.702 -8.809 1.00 0.00 C ATOM 493 CD1 ILE A 34 -21.097 15.395 -10.625 1.00 0.00 C ATOM 0 H ILE A 34 -18.260 14.962 -6.764 1.00 0.00 H new ATOM 0 HA ILE A 34 -20.716 15.802 -7.864 1.00 0.00 H new ATOM 0 HB ILE A 34 -18.821 15.681 -9.277 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -19.536 13.971 -11.055 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -20.739 13.388 -9.921 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -17.569 13.593 -9.724 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -17.502 14.048 -8.005 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -18.583 12.739 -8.537 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -21.720 15.064 -11.456 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -21.732 15.669 -9.782 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -20.510 16.260 -10.934 1.00 0.00 H new ATOM 505 N THR A 35 -20.566 12.673 -7.027 1.00 0.00 N ATOM 506 CA THR A 35 -21.366 11.495 -6.834 1.00 0.00 C ATOM 507 C THR A 35 -21.684 11.364 -5.357 1.00 0.00 C ATOM 508 O THR A 35 -21.729 10.250 -4.809 1.00 0.00 O ATOM 509 CB THR A 35 -20.615 10.256 -7.380 1.00 0.00 C ATOM 510 OG1 THR A 35 -19.944 9.556 -6.327 1.00 0.00 O ATOM 511 CG2 THR A 35 -19.563 10.701 -8.400 1.00 0.00 C ATOM 0 H THR A 35 -19.604 12.594 -6.696 1.00 0.00 H new ATOM 0 HA THR A 35 -22.304 11.570 -7.383 1.00 0.00 H new ATOM 0 HB THR A 35 -21.350 9.597 -7.842 1.00 0.00 H new ATOM 0 HG1 THR A 35 -20.603 9.232 -5.678 1.00 0.00 H new ATOM 0 HG21 THR A 35 -19.035 9.828 -8.783 1.00 0.00 H new ATOM 0 HG22 THR A 35 -20.052 11.220 -9.224 1.00 0.00 H new ATOM 0 HG23 THR A 35 -18.852 11.373 -7.920 1.00 0.00 H new ATOM 519 N GLY A 36 -21.656 12.504 -4.681 1.00 0.00 N ATOM 520 CA GLY A 36 -21.677 12.528 -3.244 1.00 0.00 C ATOM 521 C GLY A 36 -20.261 12.297 -2.781 1.00 0.00 C ATOM 522 O GLY A 36 -19.333 12.344 -3.602 1.00 0.00 O ATOM 0 H GLY A 36 -21.618 13.425 -5.118 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -22.051 13.485 -2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -22.341 11.756 -2.855 1.00 0.00 H new ATOM 526 N LYS A 37 -20.072 11.996 -1.516 1.00 0.00 N ATOM 527 CA LYS A 37 -18.747 11.666 -1.058 1.00 0.00 C ATOM 528 C LYS A 37 -18.714 10.236 -0.572 1.00 0.00 C ATOM 529 O LYS A 37 -19.275 9.908 0.479 1.00 0.00 O ATOM 530 CB LYS A 37 -18.344 12.615 0.074 1.00 0.00 C ATOM 531 CG LYS A 37 -18.057 14.012 -0.499 1.00 0.00 C ATOM 532 CD LYS A 37 -19.322 14.879 -0.461 1.00 0.00 C ATOM 533 CE LYS A 37 -19.737 15.154 0.992 1.00 0.00 C ATOM 534 NZ LYS A 37 -19.633 16.603 1.274 1.00 0.00 N ATOM 0 H LYS A 37 -20.801 11.973 -0.803 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.042 11.774 -1.883 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -19.141 12.672 0.815 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.461 12.232 0.585 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -17.264 14.491 0.075 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -17.700 13.924 -1.525 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -19.141 15.821 -0.979 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -20.132 14.375 -0.989 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -20.759 14.813 1.159 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -19.098 14.594 1.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -19.915 16.786 2.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -18.651 16.915 1.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -20.260 17.128 0.631 1.00 0.00 H new ATOM 548 N GLU A 38 -17.917 9.434 -1.238 1.00 0.00 N ATOM 549 CA GLU A 38 -17.656 8.075 -0.816 1.00 0.00 C ATOM 550 C GLU A 38 -16.489 7.995 0.105 1.00 0.00 C ATOM 551 O GLU A 38 -15.449 8.615 -0.135 1.00 0.00 O ATOM 552 CB GLU A 38 -17.494 7.122 -1.990 1.00 0.00 C ATOM 553 CG GLU A 38 -18.862 6.842 -2.593 1.00 0.00 C ATOM 554 CD GLU A 38 -19.731 6.097 -1.593 1.00 0.00 C ATOM 555 OE1 GLU A 38 -19.184 5.487 -0.697 1.00 0.00 O ATOM 556 OE2 GLU A 38 -20.924 6.154 -1.729 1.00 0.00 O ATOM 0 H GLU A 38 -17.429 9.705 -2.091 1.00 0.00 H new ATOM 0 HA GLU A 38 -18.538 7.753 -0.263 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.834 7.558 -2.740 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -17.031 6.192 -1.659 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -19.342 7.779 -2.876 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -18.753 6.252 -3.503 1.00 0.00 H new ATOM 563 N ARG A 39 -16.595 7.125 1.070 1.00 0.00 N ATOM 564 CA ARG A 39 -15.496 6.907 1.980 1.00 0.00 C ATOM 565 C ARG A 39 -14.459 6.046 1.294 1.00 0.00 C ATOM 566 O ARG A 39 -14.798 5.001 0.732 1.00 0.00 O ATOM 567 CB ARG A 39 -15.965 6.188 3.259 1.00 0.00 C ATOM 568 CG ARG A 39 -17.407 6.575 3.621 1.00 0.00 C ATOM 569 CD ARG A 39 -17.576 8.097 3.704 1.00 0.00 C ATOM 570 NE ARG A 39 -18.906 8.408 4.223 1.00 0.00 N ATOM 571 CZ ARG A 39 -19.995 8.369 3.448 1.00 0.00 C ATOM 572 NH1 ARG A 39 -19.887 8.030 2.193 1.00 0.00 N ATOM 573 NH2 ARG A 39 -21.161 8.655 3.947 1.00 0.00 N ATOM 0 H ARG A 39 -17.423 6.557 1.250 1.00 0.00 H new ATOM 0 HA ARG A 39 -15.080 7.875 2.258 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -15.901 5.109 3.116 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -15.300 6.441 4.085 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -18.091 6.172 2.874 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -17.677 6.125 4.577 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -16.811 8.524 4.352 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -17.444 8.543 2.718 1.00 0.00 H new ATOM 0 HE ARG A 39 -19.007 8.662 5.206 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -18.973 7.795 1.805 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -20.716 7.999 1.600 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -21.246 8.910 4.931 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -21.991 8.625 3.354 1.00 0.00 H new ATOM 587 N LEU A 40 -13.203 6.440 1.374 1.00 0.00 N ATOM 588 CA LEU A 40 -12.149 5.623 0.811 1.00 0.00 C ATOM 589 C LEU A 40 -11.815 4.543 1.813 1.00 0.00 C ATOM 590 O LEU A 40 -11.600 4.837 2.994 1.00 0.00 O ATOM 591 CB LEU A 40 -10.898 6.466 0.531 1.00 0.00 C ATOM 592 CG LEU A 40 -11.133 7.365 -0.691 1.00 0.00 C ATOM 593 CD1 LEU A 40 -11.846 8.650 -0.260 1.00 0.00 C ATOM 594 CD2 LEU A 40 -9.787 7.719 -1.331 1.00 0.00 C ATOM 0 H LEU A 40 -12.892 7.305 1.815 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.483 5.190 -0.132 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.659 7.077 1.401 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.042 5.814 0.354 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.753 6.834 -1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.010 9.285 -1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -12.805 8.399 0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.230 9.182 0.465 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.953 8.357 -2.199 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.167 8.246 -0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.282 6.805 -1.644 1.00 0.00 H new ATOM 606 N LYS A 41 -11.773 3.306 1.363 1.00 0.00 N ATOM 607 CA LYS A 41 -11.486 2.194 2.248 1.00 0.00 C ATOM 608 C LYS A 41 -10.313 1.411 1.775 1.00 0.00 C ATOM 609 O LYS A 41 -10.120 1.241 0.575 1.00 0.00 O ATOM 610 CB LYS A 41 -12.680 1.256 2.398 1.00 0.00 C ATOM 611 CG LYS A 41 -13.707 1.852 3.362 1.00 0.00 C ATOM 612 CD LYS A 41 -14.737 0.774 3.723 1.00 0.00 C ATOM 613 CE LYS A 41 -14.067 -0.301 4.611 1.00 0.00 C ATOM 614 NZ LYS A 41 -13.724 0.291 5.931 1.00 0.00 N ATOM 0 H LYS A 41 -11.934 3.044 0.390 1.00 0.00 H new ATOM 0 HA LYS A 41 -11.261 2.632 3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.141 1.085 1.425 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.345 0.286 2.767 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -13.212 2.216 4.262 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -14.202 2.707 2.903 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -15.580 1.222 4.249 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -15.134 0.317 2.817 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.739 -1.149 4.744 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.168 -0.680 4.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.646 -0.465 6.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.817 0.794 5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.469 0.958 6.216 1.00 0.00 H new ATOM 628 N ALA A 42 -9.589 0.859 2.726 1.00 0.00 N ATOM 629 CA ALA A 42 -8.463 0.005 2.447 1.00 0.00 C ATOM 630 C ALA A 42 -8.526 -1.222 3.326 1.00 0.00 C ATOM 631 O ALA A 42 -8.888 -1.127 4.500 1.00 0.00 O ATOM 632 CB ALA A 42 -7.171 0.755 2.705 1.00 0.00 C ATOM 0 H ALA A 42 -9.770 0.994 3.721 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.495 -0.300 1.401 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.323 0.104 2.492 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.125 1.633 2.060 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.134 1.069 3.748 1.00 0.00 H new ATOM 638 N TYR A 43 -8.227 -2.369 2.756 1.00 0.00 N ATOM 639 CA TYR A 43 -8.300 -3.628 3.476 1.00 0.00 C ATOM 640 C TYR A 43 -7.393 -4.685 2.857 1.00 0.00 C ATOM 641 O TYR A 43 -6.774 -4.462 1.810 1.00 0.00 O ATOM 642 CB TYR A 43 -9.748 -4.127 3.572 1.00 0.00 C ATOM 643 CG TYR A 43 -10.372 -4.126 2.206 1.00 0.00 C ATOM 644 CD1 TYR A 43 -10.227 -5.235 1.388 1.00 0.00 C ATOM 645 CD2 TYR A 43 -11.100 -3.016 1.762 1.00 0.00 C ATOM 646 CE1 TYR A 43 -10.797 -5.250 0.127 1.00 0.00 C ATOM 647 CE2 TYR A 43 -11.677 -3.027 0.492 1.00 0.00 C ATOM 648 CZ TYR A 43 -11.526 -4.148 -0.329 1.00 0.00 C ATOM 649 OH TYR A 43 -12.096 -4.168 -1.583 1.00 0.00 O ATOM 0 H TYR A 43 -7.927 -2.459 1.785 1.00 0.00 H new ATOM 0 HA TYR A 43 -7.940 -3.445 4.489 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -9.770 -5.132 3.992 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -10.320 -3.488 4.245 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -9.667 -6.091 1.736 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -11.215 -2.153 2.401 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -10.678 -6.116 -0.507 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -12.238 -2.172 0.144 1.00 0.00 H new ATOM 0 HH TYR A 43 -13.068 -4.076 -1.502 1.00 0.00 H new ATOM 659 N GLY A 44 -7.254 -5.805 3.550 1.00 0.00 N ATOM 660 CA GLY A 44 -6.383 -6.871 3.120 1.00 0.00 C ATOM 661 C GLY A 44 -6.710 -7.306 1.695 1.00 0.00 C ATOM 662 O GLY A 44 -7.872 -7.346 1.284 1.00 0.00 O ATOM 0 H GLY A 44 -7.744 -5.994 4.424 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.345 -6.541 3.174 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.483 -7.721 3.795 1.00 0.00 H new ATOM 666 N GLU A 45 -5.672 -7.556 0.946 1.00 0.00 N ATOM 667 CA GLU A 45 -5.748 -7.895 -0.468 1.00 0.00 C ATOM 668 C GLU A 45 -6.505 -9.208 -0.721 1.00 0.00 C ATOM 669 O GLU A 45 -6.026 -10.298 -0.371 1.00 0.00 O ATOM 670 CB GLU A 45 -4.334 -8.030 -0.992 1.00 0.00 C ATOM 671 CG GLU A 45 -4.098 -7.086 -2.169 1.00 0.00 C ATOM 672 CD GLU A 45 -3.918 -7.896 -3.433 1.00 0.00 C ATOM 673 OE1 GLU A 45 -4.913 -8.226 -4.043 1.00 0.00 O ATOM 674 OE2 GLU A 45 -2.791 -8.198 -3.768 1.00 0.00 O ATOM 0 H GLU A 45 -4.717 -7.532 1.303 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.297 -7.105 -0.980 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.624 -7.809 -0.195 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.154 -9.059 -1.304 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.942 -6.404 -2.278 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.215 -6.474 -1.987 1.00 0.00 H new ATOM 881 N PRO A 57 -4.989 -9.272 6.278 1.00 0.00 N ATOM 882 CA PRO A 57 -5.498 -7.903 6.454 1.00 0.00 C ATOM 883 C PRO A 57 -4.351 -6.974 6.753 1.00 0.00 C ATOM 884 O PRO A 57 -3.332 -7.407 7.258 1.00 0.00 O ATOM 885 CB PRO A 57 -6.434 -8.014 7.645 1.00 0.00 C ATOM 886 CG PRO A 57 -6.897 -9.437 7.644 1.00 0.00 C ATOM 887 CD PRO A 57 -5.776 -10.263 7.017 1.00 0.00 C ATOM 0 HA PRO A 57 -6.001 -7.507 5.571 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.921 -7.767 8.574 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.274 -7.326 7.552 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.107 -9.776 8.658 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.821 -9.543 7.075 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.176 -10.766 7.776 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.169 -11.036 6.357 1.00 0.00 H new ATOM 895 N ILE A 58 -4.485 -5.740 6.323 1.00 0.00 N ATOM 896 CA ILE A 58 -3.432 -4.741 6.423 1.00 0.00 C ATOM 897 C ILE A 58 -2.455 -5.028 7.577 1.00 0.00 C ATOM 898 O ILE A 58 -2.578 -4.462 8.670 1.00 0.00 O ATOM 899 CB ILE A 58 -4.073 -3.361 6.589 1.00 0.00 C ATOM 900 CG1 ILE A 58 -4.876 -3.019 5.330 1.00 0.00 C ATOM 901 CG2 ILE A 58 -2.993 -2.303 6.778 1.00 0.00 C ATOM 902 CD1 ILE A 58 -5.839 -1.880 5.621 1.00 0.00 C ATOM 0 H ILE A 58 -5.339 -5.392 5.887 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.843 -4.774 5.507 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.726 -3.378 7.462 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.200 -2.737 4.523 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.428 -3.896 4.992 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.459 -1.325 6.895 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.408 -2.535 7.668 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.339 -2.291 5.906 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.406 -1.644 4.720 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.525 -2.177 6.414 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -5.278 -1.001 5.938 1.00 0.00 H new ATOM 914 N VAL A 59 -1.444 -5.831 7.289 1.00 0.00 N ATOM 915 CA VAL A 59 -0.367 -6.110 8.223 1.00 0.00 C ATOM 916 C VAL A 59 0.953 -6.072 7.471 1.00 0.00 C ATOM 917 O VAL A 59 0.982 -6.301 6.259 1.00 0.00 O ATOM 918 CB VAL A 59 -0.550 -7.494 8.890 1.00 0.00 C ATOM 919 CG1 VAL A 59 -1.821 -7.512 9.749 1.00 0.00 C ATOM 920 CG2 VAL A 59 -0.647 -8.589 7.817 1.00 0.00 C ATOM 0 H VAL A 59 -1.347 -6.311 6.394 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.377 -5.356 9.010 1.00 0.00 H new ATOM 0 HB VAL A 59 0.314 -7.684 9.527 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.934 -8.493 10.211 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.746 -6.752 10.526 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.687 -7.304 9.121 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.776 -9.559 8.298 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.500 -8.389 7.169 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.266 -8.597 7.222 1.00 0.00 H new ATOM 930 N SER A 60 2.045 -5.867 8.185 1.00 0.00 N ATOM 931 CA SER A 60 3.353 -5.923 7.567 1.00 0.00 C ATOM 932 C SER A 60 4.118 -7.108 8.107 1.00 0.00 C ATOM 933 O SER A 60 4.337 -7.202 9.320 1.00 0.00 O ATOM 934 CB SER A 60 4.138 -4.629 7.815 1.00 0.00 C ATOM 935 OG SER A 60 4.075 -4.269 9.198 1.00 0.00 O ATOM 0 H SER A 60 2.051 -5.662 9.184 1.00 0.00 H new ATOM 0 HA SER A 60 3.222 -6.034 6.491 1.00 0.00 H new ATOM 0 HB2 SER A 60 5.177 -4.762 7.514 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.729 -3.825 7.204 1.00 0.00 H new ATOM 0 HG SER A 60 4.953 -3.948 9.493 1.00 0.00 H new ATOM 941 N THR A 61 4.516 -8.014 7.235 1.00 0.00 N ATOM 942 CA THR A 61 5.236 -9.190 7.680 1.00 0.00 C ATOM 943 C THR A 61 6.590 -8.765 8.216 1.00 0.00 C ATOM 944 O THR A 61 7.337 -8.078 7.508 1.00 0.00 O ATOM 945 CB THR A 61 5.428 -10.165 6.502 1.00 0.00 C ATOM 946 OG1 THR A 61 6.487 -9.701 5.663 1.00 0.00 O ATOM 947 CG2 THR A 61 4.135 -10.251 5.678 1.00 0.00 C ATOM 0 H THR A 61 4.356 -7.960 6.229 1.00 0.00 H new ATOM 0 HA THR A 61 4.668 -9.691 8.464 1.00 0.00 H new ATOM 0 HB THR A 61 5.674 -11.151 6.895 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.816 -8.841 5.997 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.278 -10.942 4.847 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.323 -10.608 6.311 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.885 -9.264 5.290 1.00 0.00 H new ATOM 955 N LYS A 62 6.931 -9.201 9.417 1.00 0.00 N ATOM 956 CA LYS A 62 8.225 -8.866 9.987 1.00 0.00 C ATOM 957 C LYS A 62 9.279 -9.808 9.462 1.00 0.00 C ATOM 958 O LYS A 62 9.268 -10.991 9.802 1.00 0.00 O ATOM 959 CB LYS A 62 8.202 -9.005 11.512 1.00 0.00 C ATOM 960 CG LYS A 62 7.242 -8.003 12.165 1.00 0.00 C ATOM 961 CD LYS A 62 7.826 -6.587 12.083 1.00 0.00 C ATOM 962 CE LYS A 62 7.209 -5.717 13.188 1.00 0.00 C ATOM 963 NZ LYS A 62 8.239 -5.429 14.208 1.00 0.00 N ATOM 0 H LYS A 62 6.338 -9.781 10.010 1.00 0.00 H new ATOM 0 HA LYS A 62 8.450 -7.836 9.709 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.905 -10.019 11.779 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.207 -8.853 11.905 1.00 0.00 H new ATOM 0 HG2 LYS A 62 6.274 -8.036 11.665 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.072 -8.275 13.207 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.910 -6.622 12.194 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.620 -6.153 11.105 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.828 -4.787 12.766 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.363 -6.231 13.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.778 -5.197 15.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.846 -6.264 14.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.819 -4.623 13.898 1.00 0.00 H new ATOM 977 N LYS A 63 10.253 -9.277 8.765 1.00 0.00 N ATOM 978 CA LYS A 63 11.402 -10.074 8.389 1.00 0.00 C ATOM 979 C LYS A 63 12.667 -9.297 8.653 1.00 0.00 C ATOM 980 O LYS A 63 12.771 -8.136 8.286 1.00 0.00 O ATOM 981 CB LYS A 63 11.324 -10.524 6.928 1.00 0.00 C ATOM 982 CG LYS A 63 10.100 -11.438 6.759 1.00 0.00 C ATOM 983 CD LYS A 63 10.187 -12.221 5.446 1.00 0.00 C ATOM 984 CE LYS A 63 9.873 -11.308 4.266 1.00 0.00 C ATOM 985 NZ LYS A 63 9.548 -12.131 3.080 1.00 0.00 N ATOM 0 H LYS A 63 10.277 -8.308 8.448 1.00 0.00 H new ATOM 0 HA LYS A 63 11.408 -10.978 8.998 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.243 -9.659 6.270 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.234 -11.055 6.647 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.039 -12.131 7.598 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.189 -10.840 6.772 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.185 -12.644 5.332 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.487 -13.056 5.465 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.035 -10.655 4.510 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.727 -10.664 4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.334 -11.509 2.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.360 -12.736 2.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.721 -12.727 3.287 1.00 0.00 H new ATOM 999 N LEU A 64 13.616 -9.921 9.304 1.00 0.00 N ATOM 1000 CA LEU A 64 14.867 -9.267 9.628 1.00 0.00 C ATOM 1001 C LEU A 64 15.979 -9.941 8.859 1.00 0.00 C ATOM 1002 O LEU A 64 16.140 -11.161 8.942 1.00 0.00 O ATOM 1003 CB LEU A 64 15.089 -9.331 11.150 1.00 0.00 C ATOM 1004 CG LEU A 64 16.416 -8.675 11.560 1.00 0.00 C ATOM 1005 CD1 LEU A 64 16.469 -7.249 11.038 1.00 0.00 C ATOM 1006 CD2 LEU A 64 16.455 -8.604 13.084 1.00 0.00 C ATOM 0 H LEU A 64 13.549 -10.887 9.624 1.00 0.00 H new ATOM 0 HA LEU A 64 14.848 -8.215 9.341 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.264 -8.832 11.659 1.00 0.00 H new ATOM 0 HB3 LEU A 64 15.082 -10.371 11.475 1.00 0.00 H new ATOM 0 HG LEU A 64 17.248 -9.253 11.158 1.00 0.00 H new ATOM 0 HD11 LEU A 64 17.412 -6.789 11.332 1.00 0.00 H new ATOM 0 HD12 LEU A 64 16.392 -7.256 9.951 1.00 0.00 H new ATOM 0 HD13 LEU A 64 15.641 -6.677 11.456 1.00 0.00 H new ATOM 0 HD21 LEU A 64 17.389 -8.141 13.403 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.615 -8.009 13.442 1.00 0.00 H new ATOM 0 HD23 LEU A 64 16.389 -9.611 13.497 1.00 0.00 H new ATOM 1018 N ASP A 65 16.594 -9.189 7.953 1.00 0.00 N ATOM 1019 CA ASP A 65 17.533 -9.764 6.994 1.00 0.00 C ATOM 1020 C ASP A 65 18.963 -9.357 7.246 1.00 0.00 C ATOM 1021 O ASP A 65 19.263 -8.553 8.133 1.00 0.00 O ATOM 1022 CB ASP A 65 17.155 -9.378 5.546 1.00 0.00 C ATOM 1023 CG ASP A 65 16.791 -10.608 4.713 1.00 0.00 C ATOM 1024 OD1 ASP A 65 17.246 -11.689 5.034 1.00 0.00 O ATOM 1025 OD2 ASP A 65 16.081 -10.445 3.738 1.00 0.00 O ATOM 0 H ASP A 65 16.460 -8.182 7.862 1.00 0.00 H new ATOM 0 HA ASP A 65 17.461 -10.843 7.128 1.00 0.00 H new ATOM 0 HB2 ASP A 65 16.313 -8.686 5.561 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.989 -8.855 5.079 1.00 0.00 H new ATOM 1030 N LYS A 66 19.807 -9.827 6.342 1.00 0.00 N ATOM 1031 CA LYS A 66 21.227 -9.524 6.289 1.00 0.00 C ATOM 1032 C LYS A 66 21.494 -8.068 6.643 1.00 0.00 C ATOM 1033 O LYS A 66 22.526 -7.741 7.232 1.00 0.00 O ATOM 1034 CB LYS A 66 21.744 -9.807 4.861 1.00 0.00 C ATOM 1035 CG LYS A 66 20.762 -9.214 3.812 1.00 0.00 C ATOM 1036 CD LYS A 66 19.849 -10.317 3.228 1.00 0.00 C ATOM 1037 CE LYS A 66 18.759 -9.685 2.343 1.00 0.00 C ATOM 1038 NZ LYS A 66 17.765 -10.719 1.953 1.00 0.00 N ATOM 0 H LYS A 66 19.509 -10.455 5.596 1.00 0.00 H new ATOM 0 HA LYS A 66 21.745 -10.150 7.015 1.00 0.00 H new ATOM 0 HB2 LYS A 66 22.735 -9.371 4.731 1.00 0.00 H new ATOM 0 HB3 LYS A 66 21.846 -10.881 4.709 1.00 0.00 H new ATOM 0 HG2 LYS A 66 20.152 -8.439 4.276 1.00 0.00 H new ATOM 0 HG3 LYS A 66 21.325 -8.739 3.009 1.00 0.00 H new ATOM 0 HD2 LYS A 66 20.442 -11.019 2.643 1.00 0.00 H new ATOM 0 HD3 LYS A 66 19.389 -10.885 4.036 1.00 0.00 H new ATOM 0 HE2 LYS A 66 18.264 -8.876 2.881 1.00 0.00 H new ATOM 0 HE3 LYS A 66 19.210 -9.246 1.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 17.628 -10.698 0.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 18.111 -11.658 2.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.859 -10.526 2.426 1.00 0.00 H new ATOM 1052 N GLU A 67 20.555 -7.206 6.302 1.00 0.00 N ATOM 1053 CA GLU A 67 20.700 -5.794 6.565 1.00 0.00 C ATOM 1054 C GLU A 67 20.805 -5.526 8.060 1.00 0.00 C ATOM 1055 O GLU A 67 21.490 -4.592 8.484 1.00 0.00 O ATOM 1056 CB GLU A 67 19.550 -4.995 5.946 1.00 0.00 C ATOM 1057 CG GLU A 67 19.665 -5.046 4.415 1.00 0.00 C ATOM 1058 CD GLU A 67 18.532 -4.280 3.748 1.00 0.00 C ATOM 1059 OE1 GLU A 67 17.688 -3.751 4.444 1.00 0.00 O ATOM 1060 OE2 GLU A 67 18.526 -4.224 2.547 1.00 0.00 O ATOM 0 H GLU A 67 19.682 -7.464 5.841 1.00 0.00 H new ATOM 0 HA GLU A 67 21.627 -5.462 6.097 1.00 0.00 H new ATOM 0 HB2 GLU A 67 18.592 -5.407 6.264 1.00 0.00 H new ATOM 0 HB3 GLU A 67 19.583 -3.961 6.291 1.00 0.00 H new ATOM 0 HG2 GLU A 67 20.622 -4.625 4.106 1.00 0.00 H new ATOM 0 HG3 GLU A 67 19.650 -6.084 4.082 1.00 0.00 H new ATOM 1067 N GLY A 68 20.127 -6.336 8.856 1.00 0.00 N ATOM 1068 CA GLY A 68 20.144 -6.172 10.304 1.00 0.00 C ATOM 1069 C GLY A 68 19.066 -5.206 10.728 1.00 0.00 C ATOM 1070 O GLY A 68 19.039 -4.739 11.865 1.00 0.00 O ATOM 0 H GLY A 68 19.557 -7.115 8.526 1.00 0.00 H new ATOM 0 HA2 GLY A 68 19.991 -7.136 10.789 1.00 0.00 H new ATOM 0 HA3 GLY A 68 21.119 -5.805 10.625 1.00 0.00 H new ATOM 1074 N ARG A 69 18.164 -4.931 9.814 1.00 0.00 N ATOM 1075 CA ARG A 69 17.052 -4.045 10.061 1.00 0.00 C ATOM 1076 C ARG A 69 15.768 -4.711 9.604 1.00 0.00 C ATOM 1077 O ARG A 69 15.729 -5.322 8.534 1.00 0.00 O ATOM 1078 CB ARG A 69 17.299 -2.726 9.336 1.00 0.00 C ATOM 1079 CG ARG A 69 17.667 -3.005 7.883 1.00 0.00 C ATOM 1080 CD ARG A 69 18.263 -1.750 7.275 1.00 0.00 C ATOM 1081 NE ARG A 69 18.498 -1.942 5.848 1.00 0.00 N ATOM 1082 CZ ARG A 69 19.323 -1.164 5.148 1.00 0.00 C ATOM 1083 NH1 ARG A 69 20.006 -0.218 5.745 1.00 0.00 N ATOM 1084 NH2 ARG A 69 19.462 -1.367 3.870 1.00 0.00 N ATOM 0 H ARG A 69 18.182 -5.319 8.871 1.00 0.00 H new ATOM 0 HA ARG A 69 16.955 -3.834 11.126 1.00 0.00 H new ATOM 0 HB2 ARG A 69 16.407 -2.101 9.383 1.00 0.00 H new ATOM 0 HB3 ARG A 69 18.101 -2.174 9.826 1.00 0.00 H new ATOM 0 HG2 ARG A 69 18.381 -3.826 7.827 1.00 0.00 H new ATOM 0 HG3 ARG A 69 16.784 -3.312 7.323 1.00 0.00 H new ATOM 0 HD2 ARG A 69 17.589 -0.907 7.430 1.00 0.00 H new ATOM 0 HD3 ARG A 69 19.200 -1.505 7.775 1.00 0.00 H new ATOM 0 HE ARG A 69 18.013 -2.700 5.368 1.00 0.00 H new ATOM 0 HH11 ARG A 69 19.907 -0.075 6.750 1.00 0.00 H new ATOM 0 HH12 ARG A 69 20.636 0.375 5.205 1.00 0.00 H new ATOM 0 HH21 ARG A 69 18.942 -2.116 3.413 1.00 0.00 H new ATOM 0 HH22 ARG A 69 20.091 -0.777 3.325 1.00 0.00 H new ATOM 1098 N THR A 70 14.799 -4.768 10.494 1.00 0.00 N ATOM 1099 CA THR A 70 13.587 -5.529 10.251 1.00 0.00 C ATOM 1100 C THR A 70 12.808 -4.956 9.069 1.00 0.00 C ATOM 1101 O THR A 70 12.545 -3.762 9.010 1.00 0.00 O ATOM 1102 CB THR A 70 12.729 -5.561 11.524 1.00 0.00 C ATOM 1103 OG1 THR A 70 13.544 -5.936 12.639 1.00 0.00 O ATOM 1104 CG2 THR A 70 11.592 -6.577 11.360 1.00 0.00 C ATOM 0 H THR A 70 14.826 -4.295 11.397 1.00 0.00 H new ATOM 0 HA THR A 70 13.859 -6.552 9.992 1.00 0.00 H new ATOM 0 HB THR A 70 12.305 -4.571 11.696 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.997 -5.955 13.452 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.987 -6.595 12.266 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.968 -6.292 10.513 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.012 -7.567 11.184 1.00 0.00 H new ATOM 1112 N HIS A 71 12.438 -5.823 8.146 1.00 0.00 N ATOM 1113 CA HIS A 71 11.699 -5.450 6.950 1.00 0.00 C ATOM 1114 C HIS A 71 10.214 -5.662 7.177 1.00 0.00 C ATOM 1115 O HIS A 71 9.800 -6.691 7.726 1.00 0.00 O ATOM 1116 CB HIS A 71 12.137 -6.332 5.771 1.00 0.00 C ATOM 1117 CG HIS A 71 11.994 -5.593 4.455 1.00 0.00 C ATOM 1118 ND1 HIS A 71 10.893 -5.222 3.694 1.00 0.00 N flip ATOM 1119 CD2 HIS A 71 13.102 -5.185 3.731 1.00 0.00 C flip ATOM 1120 CE1 HIS A 71 11.324 -4.601 2.527 1.00 0.00 C flip ATOM 1121 NE2 HIS A 71 12.659 -4.604 2.598 1.00 0.00 N flip ATOM 0 H HIS A 71 12.644 -6.820 8.204 1.00 0.00 H new ATOM 0 HA HIS A 71 11.900 -4.402 6.729 1.00 0.00 H new ATOM 0 HB2 HIS A 71 13.174 -6.640 5.908 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.535 -7.240 5.749 1.00 0.00 H new ATOM 0 HD2 HIS A 71 14.135 -5.310 4.022 1.00 0.00 H new ATOM 0 HE1 HIS A 71 10.711 -4.201 1.733 1.00 0.00 H new ATOM 0 HE2 HIS A 71 13.270 -4.213 1.880 1.00 0.00 H new ATOM 1130 N HIS A 72 9.426 -4.737 6.686 1.00 0.00 N ATOM 1131 CA HIS A 72 7.980 -4.824 6.721 1.00 0.00 C ATOM 1132 C HIS A 72 7.470 -5.009 5.304 1.00 0.00 C ATOM 1133 O HIS A 72 7.570 -4.086 4.491 1.00 0.00 O ATOM 1134 CB HIS A 72 7.395 -3.510 7.268 1.00 0.00 C ATOM 1135 CG HIS A 72 7.469 -3.469 8.767 1.00 0.00 C ATOM 1136 ND1 HIS A 72 6.333 -3.499 9.571 1.00 0.00 N ATOM 1137 CD2 HIS A 72 8.536 -3.375 9.625 1.00 0.00 C ATOM 1138 CE1 HIS A 72 6.745 -3.415 10.845 1.00 0.00 C ATOM 1139 NE2 HIS A 72 8.081 -3.341 10.937 1.00 0.00 N ATOM 0 H HIS A 72 9.774 -3.887 6.243 1.00 0.00 H new ATOM 0 HA HIS A 72 7.683 -5.659 7.356 1.00 0.00 H new ATOM 0 HB2 HIS A 72 7.940 -2.664 6.850 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.358 -3.409 6.949 1.00 0.00 H new ATOM 0 HD2 HIS A 72 9.573 -3.334 9.325 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.080 -3.408 11.696 1.00 0.00 H new ATOM 0 HE2 HIS A 72 8.642 -3.274 11.787 1.00 0.00 H new ATOM 1148 N TYR A 73 6.850 -6.148 5.031 1.00 0.00 N ATOM 1149 CA TYR A 73 6.222 -6.372 3.736 1.00 0.00 C ATOM 1150 C TYR A 73 4.725 -6.303 3.917 1.00 0.00 C ATOM 1151 O TYR A 73 4.183 -6.960 4.814 1.00 0.00 O ATOM 1152 CB TYR A 73 6.615 -7.745 3.171 1.00 0.00 C ATOM 1153 CG TYR A 73 8.099 -7.766 2.863 1.00 0.00 C ATOM 1154 CD1 TYR A 73 8.551 -7.326 1.616 1.00 0.00 C ATOM 1155 CD2 TYR A 73 9.022 -8.216 3.823 1.00 0.00 C ATOM 1156 CE1 TYR A 73 9.916 -7.330 1.322 1.00 0.00 C ATOM 1157 CE2 TYR A 73 10.390 -8.216 3.526 1.00 0.00 C ATOM 1158 CZ TYR A 73 10.836 -7.773 2.277 1.00 0.00 C ATOM 1159 OH TYR A 73 12.183 -7.766 1.993 1.00 0.00 O ATOM 0 H TYR A 73 6.768 -6.927 5.684 1.00 0.00 H new ATOM 0 HA TYR A 73 6.556 -5.610 3.032 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.372 -8.528 3.890 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.043 -7.954 2.267 1.00 0.00 H new ATOM 0 HD1 TYR A 73 7.842 -6.982 0.877 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.677 -8.561 4.787 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.261 -6.991 0.357 1.00 0.00 H new ATOM 0 HE2 TYR A 73 11.102 -8.559 4.262 1.00 0.00 H new ATOM 0 HH TYR A 73 12.682 -8.104 2.766 1.00 0.00 H new ATOM 1169 N MET A 74 4.082 -5.428 3.165 1.00 0.00 N ATOM 1170 CA MET A 74 2.658 -5.180 3.322 1.00 0.00 C ATOM 1171 C MET A 74 2.032 -4.773 2.007 1.00 0.00 C ATOM 1172 O MET A 74 2.517 -3.862 1.335 1.00 0.00 O ATOM 1173 CB MET A 74 2.446 -4.055 4.349 1.00 0.00 C ATOM 1174 CG MET A 74 0.952 -3.725 4.504 1.00 0.00 C ATOM 1175 SD MET A 74 0.737 -1.930 4.445 1.00 0.00 S ATOM 1176 CE MET A 74 1.024 -1.576 6.191 1.00 0.00 C ATOM 0 H MET A 74 4.526 -4.873 2.434 1.00 0.00 H new ATOM 0 HA MET A 74 2.184 -6.100 3.665 1.00 0.00 H new ATOM 0 HB2 MET A 74 2.858 -4.355 5.313 1.00 0.00 H new ATOM 0 HB3 MET A 74 2.988 -3.163 4.034 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.377 -4.199 3.709 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.575 -4.119 5.448 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.338 -0.539 6.305 1.00 0.00 H new ATOM 0 HE2 MET A 74 0.104 -1.740 6.752 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.804 -2.235 6.573 1.00 0.00 H new ATOM 1186 N ARG A 75 0.859 -5.300 1.754 1.00 0.00 N ATOM 1187 CA ARG A 75 0.041 -4.839 0.663 1.00 0.00 C ATOM 1188 C ARG A 75 -1.405 -4.790 1.115 1.00 0.00 C ATOM 1189 O ARG A 75 -1.830 -5.616 1.929 1.00 0.00 O ATOM 1190 CB ARG A 75 0.163 -5.746 -0.567 1.00 0.00 C ATOM 1191 CG ARG A 75 -0.261 -7.177 -0.206 1.00 0.00 C ATOM 1192 CD ARG A 75 -0.528 -7.972 -1.492 1.00 0.00 C ATOM 1193 NE ARG A 75 0.709 -8.322 -2.175 1.00 0.00 N ATOM 1194 CZ ARG A 75 0.695 -8.930 -3.367 1.00 0.00 C ATOM 1195 NH1 ARG A 75 -0.431 -9.049 -4.023 1.00 0.00 N ATOM 1196 NH2 ARG A 75 1.809 -9.368 -3.893 1.00 0.00 N ATOM 0 H ARG A 75 0.447 -6.058 2.298 1.00 0.00 H new ATOM 0 HA ARG A 75 0.387 -3.846 0.376 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.463 -5.365 -1.374 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.190 -5.743 -0.931 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.520 -7.663 0.379 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.157 -7.157 0.414 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.080 -8.880 -1.250 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.158 -7.384 -2.159 1.00 0.00 H new ATOM 0 HE ARG A 75 1.603 -8.100 -1.737 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.294 -8.679 -3.626 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.445 -9.512 -4.932 1.00 0.00 H new ATOM 0 HH21 ARG A 75 2.691 -9.247 -3.395 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.796 -9.831 -4.802 1.00 0.00 H new ATOM 1210 N PHE A 76 -2.165 -3.874 0.571 1.00 0.00 N ATOM 1211 CA PHE A 76 -3.581 -3.804 0.872 1.00 0.00 C ATOM 1212 C PHE A 76 -4.397 -3.288 -0.285 1.00 0.00 C ATOM 1213 O PHE A 76 -3.889 -2.578 -1.157 1.00 0.00 O ATOM 1214 CB PHE A 76 -3.869 -3.061 2.188 1.00 0.00 C ATOM 1215 CG PHE A 76 -3.195 -1.701 2.232 1.00 0.00 C ATOM 1216 CD1 PHE A 76 -1.908 -1.592 2.763 1.00 0.00 C ATOM 1217 CD2 PHE A 76 -3.856 -0.553 1.769 1.00 0.00 C ATOM 1218 CE1 PHE A 76 -1.278 -0.347 2.833 1.00 0.00 C ATOM 1219 CE2 PHE A 76 -3.221 0.697 1.845 1.00 0.00 C ATOM 1220 CZ PHE A 76 -1.931 0.794 2.377 1.00 0.00 C ATOM 0 H PHE A 76 -1.832 -3.165 -0.082 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.909 -4.831 1.031 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -4.945 -2.936 2.306 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.524 -3.664 3.028 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.398 -2.474 3.121 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.851 -0.631 1.355 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.281 -0.270 3.242 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.728 1.583 1.493 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.442 1.755 2.434 1.00 0.00 H new ATOM 1230 N HIS A 77 -5.663 -3.653 -0.291 1.00 0.00 N ATOM 1231 CA HIS A 77 -6.578 -3.244 -1.333 1.00 0.00 C ATOM 1232 C HIS A 77 -7.403 -2.093 -0.844 1.00 0.00 C ATOM 1233 O HIS A 77 -7.807 -2.071 0.323 1.00 0.00 O ATOM 1234 CB HIS A 77 -7.509 -4.404 -1.732 1.00 0.00 C ATOM 1235 CG HIS A 77 -7.181 -4.867 -3.124 1.00 0.00 C ATOM 1236 ND1 HIS A 77 -7.104 -3.988 -4.189 1.00 0.00 N ATOM 1237 CD2 HIS A 77 -6.924 -6.110 -3.645 1.00 0.00 C ATOM 1238 CE1 HIS A 77 -6.812 -4.706 -5.288 1.00 0.00 C ATOM 1239 NE2 HIS A 77 -6.691 -6.007 -5.012 1.00 0.00 N ATOM 0 H HIS A 77 -6.085 -4.242 0.427 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.999 -2.947 -2.207 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -7.398 -5.230 -1.029 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.549 -4.081 -1.682 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -7.243 -2.978 -4.148 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -6.905 -7.030 -3.079 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -6.690 -4.282 -6.274 1.00 0.00 H new ATOM 1248 N VAL A 78 -7.694 -1.164 -1.724 1.00 0.00 N ATOM 1249 CA VAL A 78 -8.527 -0.048 -1.363 1.00 0.00 C ATOM 1250 C VAL A 78 -9.642 0.101 -2.365 1.00 0.00 C ATOM 1251 O VAL A 78 -9.504 -0.293 -3.530 1.00 0.00 O ATOM 1252 CB VAL A 78 -7.704 1.258 -1.255 1.00 0.00 C ATOM 1253 CG1 VAL A 78 -6.363 0.977 -0.569 1.00 0.00 C ATOM 1254 CG2 VAL A 78 -7.456 1.857 -2.645 1.00 0.00 C ATOM 0 H VAL A 78 -7.367 -1.161 -2.690 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.957 -0.242 -0.381 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.272 1.974 -0.661 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.790 1.902 -0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.542 0.582 0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.802 0.247 -1.152 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.876 2.775 -2.548 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.905 1.142 -3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.411 2.080 -3.121 1.00 0.00 H new ATOM 1264 N GLU A 79 -10.720 0.699 -1.936 1.00 0.00 N ATOM 1265 CA GLU A 79 -11.843 0.924 -2.807 1.00 0.00 C ATOM 1266 C GLU A 79 -11.964 2.383 -3.163 1.00 0.00 C ATOM 1267 O GLU A 79 -12.164 3.247 -2.296 1.00 0.00 O ATOM 1268 CB GLU A 79 -13.123 0.383 -2.181 1.00 0.00 C ATOM 1269 CG GLU A 79 -13.079 -1.156 -2.216 1.00 0.00 C ATOM 1270 CD GLU A 79 -14.267 -1.763 -1.493 1.00 0.00 C ATOM 1271 OE1 GLU A 79 -15.138 -1.024 -1.082 1.00 0.00 O ATOM 1272 OE2 GLU A 79 -14.294 -2.968 -1.368 1.00 0.00 O ATOM 0 H GLU A 79 -10.845 1.041 -0.983 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.677 0.379 -3.736 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -13.219 0.735 -1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.994 0.748 -2.726 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -13.069 -1.497 -3.251 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -12.155 -1.505 -1.756 1.00 0.00 H new ATOM 1279 N SER A 80 -11.803 2.654 -4.435 1.00 0.00 N ATOM 1280 CA SER A 80 -11.857 3.990 -4.952 1.00 0.00 C ATOM 1281 C SER A 80 -13.272 4.321 -5.344 1.00 0.00 C ATOM 1282 O SER A 80 -14.192 3.528 -5.121 1.00 0.00 O ATOM 1283 CB SER A 80 -10.922 4.115 -6.152 1.00 0.00 C ATOM 1284 OG SER A 80 -9.989 3.038 -6.144 1.00 0.00 O ATOM 0 H SER A 80 -11.629 1.942 -5.144 1.00 0.00 H new ATOM 0 HA SER A 80 -11.533 4.694 -4.186 1.00 0.00 H new ATOM 0 HB2 SER A 80 -11.498 4.104 -7.077 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.394 5.068 -6.117 1.00 0.00 H new ATOM 0 HG SER A 80 -10.430 2.221 -6.456 1.00 0.00 H new ATOM 1290 N LYS A 81 -13.470 5.506 -5.870 1.00 0.00 N ATOM 1291 CA LYS A 81 -14.800 5.930 -6.214 1.00 0.00 C ATOM 1292 C LYS A 81 -15.355 5.094 -7.352 1.00 0.00 C ATOM 1293 O LYS A 81 -16.559 4.859 -7.424 1.00 0.00 O ATOM 1294 CB LYS A 81 -14.793 7.399 -6.615 1.00 0.00 C ATOM 1295 CG LYS A 81 -14.252 8.252 -5.462 1.00 0.00 C ATOM 1296 CD LYS A 81 -15.076 7.999 -4.206 1.00 0.00 C ATOM 1297 CE LYS A 81 -15.042 9.239 -3.310 1.00 0.00 C ATOM 1298 NZ LYS A 81 -14.161 9.020 -2.134 1.00 0.00 N ATOM 0 H LYS A 81 -12.735 6.185 -6.066 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.437 5.796 -5.340 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.177 7.540 -7.503 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -15.802 7.719 -6.873 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.206 8.009 -5.277 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -14.292 9.308 -5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.105 7.761 -4.476 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.681 7.138 -3.667 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -14.686 10.096 -3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.051 9.477 -2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.617 9.885 -1.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.742 8.785 -1.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.507 8.236 -2.332 1.00 0.00 H new ATOM 1312 N LYS A 82 -14.479 4.700 -8.274 1.00 0.00 N ATOM 1313 CA LYS A 82 -14.909 3.964 -9.458 1.00 0.00 C ATOM 1314 C LYS A 82 -14.174 2.632 -9.596 1.00 0.00 C ATOM 1315 O LYS A 82 -14.476 1.852 -10.498 1.00 0.00 O ATOM 1316 CB LYS A 82 -14.673 4.809 -10.717 1.00 0.00 C ATOM 1317 CG LYS A 82 -15.157 6.256 -10.488 1.00 0.00 C ATOM 1318 CD LYS A 82 -16.684 6.293 -10.301 1.00 0.00 C ATOM 1319 CE LYS A 82 -17.115 7.667 -9.748 1.00 0.00 C ATOM 1320 NZ LYS A 82 -16.302 8.751 -10.381 1.00 0.00 N ATOM 0 H LYS A 82 -13.476 4.877 -8.224 1.00 0.00 H new ATOM 0 HA LYS A 82 -15.973 3.754 -9.344 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -13.613 4.809 -10.970 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -15.203 4.370 -11.562 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -14.667 6.674 -9.609 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -14.874 6.879 -11.337 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.180 6.103 -11.253 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -16.994 5.503 -9.617 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -18.174 7.832 -9.947 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -16.986 7.689 -8.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -16.666 9.678 -10.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.309 8.657 -10.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -16.365 8.673 -11.416 1.00 0.00 H new ATOM 1334 N LYS A 83 -13.131 2.432 -8.792 1.00 0.00 N ATOM 1335 CA LYS A 83 -12.291 1.232 -8.907 1.00 0.00 C ATOM 1336 C LYS A 83 -11.844 0.730 -7.551 1.00 0.00 C ATOM 1337 O LYS A 83 -11.749 1.496 -6.598 1.00 0.00 O ATOM 1338 CB LYS A 83 -11.048 1.509 -9.765 1.00 0.00 C ATOM 1339 CG LYS A 83 -11.463 1.912 -11.185 1.00 0.00 C ATOM 1340 CD LYS A 83 -12.131 0.731 -11.895 1.00 0.00 C ATOM 1341 CE LYS A 83 -12.872 1.245 -13.131 1.00 0.00 C ATOM 1342 NZ LYS A 83 -14.313 1.345 -12.824 1.00 0.00 N ATOM 0 H LYS A 83 -12.845 3.079 -8.057 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.904 0.467 -9.384 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.455 2.304 -9.313 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -10.417 0.621 -9.801 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.150 2.758 -11.145 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.589 2.238 -11.749 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.382 -0.006 -12.185 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.826 0.231 -11.221 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.482 2.219 -13.425 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.713 0.571 -13.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.765 2.003 -13.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.753 0.407 -12.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.438 1.696 -11.853 1.00 0.00 H new ATOM 1356 N ILE A 84 -11.410 -0.509 -7.522 1.00 0.00 N ATOM 1357 CA ILE A 84 -10.794 -1.086 -6.342 1.00 0.00 C ATOM 1358 C ILE A 84 -9.295 -1.142 -6.616 1.00 0.00 C ATOM 1359 O ILE A 84 -8.887 -1.576 -7.696 1.00 0.00 O ATOM 1360 CB ILE A 84 -11.351 -2.498 -6.135 1.00 0.00 C ATOM 1361 CG1 ILE A 84 -12.876 -2.419 -6.051 1.00 0.00 C ATOM 1362 CG2 ILE A 84 -10.813 -3.095 -4.827 1.00 0.00 C ATOM 1363 CD1 ILE A 84 -13.459 -3.812 -6.217 1.00 0.00 C ATOM 0 H ILE A 84 -11.473 -1.148 -8.314 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.998 -0.500 -5.446 1.00 0.00 H new ATOM 0 HB ILE A 84 -11.045 -3.130 -6.969 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -13.178 -1.997 -5.092 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -13.261 -1.756 -6.826 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -11.217 -4.098 -4.692 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -9.725 -3.144 -4.870 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.115 -2.467 -3.989 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -14.546 -3.761 -6.158 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -13.167 -4.215 -7.187 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -13.083 -4.461 -5.426 1.00 0.00 H new ATOM 1375 N ALA A 85 -8.496 -0.578 -5.729 1.00 0.00 N ATOM 1376 CA ALA A 85 -7.061 -0.441 -5.977 1.00 0.00 C ATOM 1377 C ALA A 85 -6.242 -1.272 -5.010 1.00 0.00 C ATOM 1378 O ALA A 85 -6.711 -1.622 -3.926 1.00 0.00 O ATOM 1379 CB ALA A 85 -6.640 1.034 -5.892 1.00 0.00 C ATOM 0 H ALA A 85 -8.809 -0.207 -4.832 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.867 -0.812 -6.983 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.569 1.118 -6.079 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.185 1.612 -6.638 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.866 1.420 -4.898 1.00 0.00 H new ATOM 1385 N LEU A 86 -5.023 -1.585 -5.417 1.00 0.00 N ATOM 1386 CA LEU A 86 -4.081 -2.365 -4.618 1.00 0.00 C ATOM 1387 C LEU A 86 -2.886 -1.518 -4.211 1.00 0.00 C ATOM 1388 O LEU A 86 -2.295 -0.830 -5.043 1.00 0.00 O ATOM 1389 CB LEU A 86 -3.636 -3.622 -5.403 1.00 0.00 C ATOM 1390 CG LEU A 86 -2.304 -4.179 -4.861 1.00 0.00 C ATOM 1391 CD1 LEU A 86 -2.468 -4.634 -3.417 1.00 0.00 C ATOM 1392 CD2 LEU A 86 -1.865 -5.373 -5.713 1.00 0.00 C ATOM 0 H LEU A 86 -4.651 -1.302 -6.324 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.579 -2.689 -3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.408 -4.388 -5.334 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.526 -3.374 -6.459 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.552 -3.391 -4.905 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.519 -5.025 -3.049 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.776 -3.788 -2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.226 -5.415 -3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.924 -5.767 -5.330 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.628 -6.151 -5.670 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.731 -5.053 -6.746 1.00 0.00 H new ATOM 1404 N VAL A 87 -2.546 -1.557 -2.933 1.00 0.00 N ATOM 1405 CA VAL A 87 -1.432 -0.792 -2.409 1.00 0.00 C ATOM 1406 C VAL A 87 -0.360 -1.749 -1.879 1.00 0.00 C ATOM 1407 O VAL A 87 -0.663 -2.673 -1.117 1.00 0.00 O ATOM 1408 CB VAL A 87 -1.929 0.127 -1.277 1.00 0.00 C ATOM 1409 CG1 VAL A 87 -0.742 0.782 -0.564 1.00 0.00 C ATOM 1410 CG2 VAL A 87 -2.857 1.211 -1.848 1.00 0.00 C ATOM 0 H VAL A 87 -3.033 -2.118 -2.234 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.001 -0.180 -3.201 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.483 -0.475 -0.557 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -1.108 1.429 0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.101 0.009 -0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -0.171 1.375 -1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.203 1.856 -1.040 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.313 1.807 -2.580 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -3.714 0.740 -2.329 1.00 0.00 H new ATOM 1420 N HIS A 88 0.883 -1.519 -2.286 1.00 0.00 N ATOM 1421 CA HIS A 88 2.031 -2.332 -1.865 1.00 0.00 C ATOM 1422 C HIS A 88 2.979 -1.460 -1.070 1.00 0.00 C ATOM 1423 O HIS A 88 3.462 -0.459 -1.592 1.00 0.00 O ATOM 1424 CB HIS A 88 2.758 -2.853 -3.123 1.00 0.00 C ATOM 1425 CG HIS A 88 3.930 -3.766 -2.792 1.00 0.00 C ATOM 1426 ND1 HIS A 88 4.327 -4.773 -3.661 1.00 0.00 N ATOM 1427 CD2 HIS A 88 4.815 -3.822 -1.733 1.00 0.00 C ATOM 1428 CE1 HIS A 88 5.404 -5.383 -3.123 1.00 0.00 C ATOM 1429 NE2 HIS A 88 5.747 -4.844 -1.954 1.00 0.00 N ATOM 0 H HIS A 88 1.130 -0.760 -2.921 1.00 0.00 H new ATOM 0 HA HIS A 88 1.697 -3.171 -1.255 1.00 0.00 H new ATOM 0 HB2 HIS A 88 2.048 -3.393 -3.749 1.00 0.00 H new ATOM 0 HB3 HIS A 88 3.117 -2.005 -3.707 1.00 0.00 H new ATOM 0 HD2 HIS A 88 4.792 -3.177 -0.867 1.00 0.00 H new ATOM 0 HE1 HIS A 88 5.925 -6.209 -3.585 1.00 0.00 H new ATOM 0 HE2 HIS A 88 6.522 -5.117 -1.350 1.00 0.00 H new ATOM 1438 N LEU A 89 3.241 -1.823 0.185 1.00 0.00 N ATOM 1439 CA LEU A 89 4.162 -1.060 1.024 1.00 0.00 C ATOM 1440 C LEU A 89 5.268 -1.966 1.569 1.00 0.00 C ATOM 1441 O LEU A 89 4.998 -2.894 2.339 1.00 0.00 O ATOM 1442 CB LEU A 89 3.406 -0.422 2.207 1.00 0.00 C ATOM 1443 CG LEU A 89 4.383 0.379 3.098 1.00 0.00 C ATOM 1444 CD1 LEU A 89 4.834 1.655 2.390 1.00 0.00 C ATOM 1445 CD2 LEU A 89 3.723 0.723 4.436 1.00 0.00 C ATOM 0 H LEU A 89 2.830 -2.638 0.641 1.00 0.00 H new ATOM 0 HA LEU A 89 4.607 -0.277 0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.621 0.236 1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.918 -1.198 2.797 1.00 0.00 H new ATOM 0 HG LEU A 89 5.260 -0.240 3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.521 2.205 3.033 1.00 0.00 H new ATOM 0 HD12 LEU A 89 5.338 1.396 1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.965 2.276 2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.423 1.287 5.053 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.831 1.324 4.258 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.445 -0.196 4.951 1.00 0.00 H new ATOM 1457 N GLU A 90 6.508 -1.600 1.296 1.00 0.00 N ATOM 1458 CA GLU A 90 7.662 -2.250 1.902 1.00 0.00 C ATOM 1459 C GLU A 90 8.445 -1.271 2.739 1.00 0.00 C ATOM 1460 O GLU A 90 8.889 -0.225 2.247 1.00 0.00 O ATOM 1461 CB GLU A 90 8.548 -2.914 0.852 1.00 0.00 C ATOM 1462 CG GLU A 90 7.922 -4.254 0.455 1.00 0.00 C ATOM 1463 CD GLU A 90 8.642 -4.870 -0.732 1.00 0.00 C ATOM 1464 OE1 GLU A 90 9.724 -4.426 -1.047 1.00 0.00 O ATOM 1465 OE2 GLU A 90 8.087 -5.770 -1.323 1.00 0.00 O ATOM 0 H GLU A 90 6.745 -0.847 0.651 1.00 0.00 H new ATOM 0 HA GLU A 90 7.294 -3.039 2.558 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.646 -2.269 -0.022 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.552 -3.069 1.248 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.959 -4.940 1.301 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.870 -4.108 0.209 1.00 0.00 H new ATOM 1472 N ALA A 91 8.601 -1.598 4.003 1.00 0.00 N ATOM 1473 CA ALA A 91 9.306 -0.742 4.933 1.00 0.00 C ATOM 1474 C ALA A 91 10.312 -1.546 5.711 1.00 0.00 C ATOM 1475 O ALA A 91 10.215 -2.757 5.768 1.00 0.00 O ATOM 1476 CB ALA A 91 8.324 -0.068 5.901 1.00 0.00 C ATOM 0 H ALA A 91 8.245 -2.461 4.414 1.00 0.00 H new ATOM 0 HA ALA A 91 9.822 0.031 4.364 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.875 0.571 6.591 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.613 0.535 5.337 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.786 -0.831 6.463 1.00 0.00 H new ATOM 1482 N LYS A 92 11.241 -0.876 6.354 1.00 0.00 N ATOM 1483 CA LYS A 92 12.199 -1.563 7.210 1.00 0.00 C ATOM 1484 C LYS A 92 12.423 -0.781 8.486 1.00 0.00 C ATOM 1485 O LYS A 92 12.575 0.441 8.445 1.00 0.00 O ATOM 1486 CB LYS A 92 13.526 -1.797 6.488 1.00 0.00 C ATOM 1487 CG LYS A 92 14.066 -0.462 5.956 1.00 0.00 C ATOM 1488 CD LYS A 92 15.307 -0.040 6.751 1.00 0.00 C ATOM 1489 CE LYS A 92 14.980 1.207 7.579 1.00 0.00 C ATOM 1490 NZ LYS A 92 16.096 2.175 7.545 1.00 0.00 N ATOM 0 H LYS A 92 11.359 0.136 6.306 1.00 0.00 H new ATOM 0 HA LYS A 92 11.781 -2.537 7.463 1.00 0.00 H new ATOM 0 HB2 LYS A 92 14.248 -2.247 7.170 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.385 -2.498 5.665 1.00 0.00 H new ATOM 0 HG2 LYS A 92 14.317 -0.558 4.900 1.00 0.00 H new ATOM 0 HG3 LYS A 92 13.297 0.307 6.033 1.00 0.00 H new ATOM 0 HD2 LYS A 92 15.627 -0.851 7.405 1.00 0.00 H new ATOM 0 HD3 LYS A 92 16.134 0.167 6.072 1.00 0.00 H new ATOM 0 HE2 LYS A 92 14.075 1.677 7.193 1.00 0.00 H new ATOM 0 HE3 LYS A 92 14.775 0.919 8.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 16.113 2.717 8.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 16.995 1.664 7.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 15.967 2.826 6.744 1.00 0.00 H new ATOM 1504 N GLU A 93 12.471 -1.477 9.611 1.00 0.00 N ATOM 1505 CA GLU A 93 12.674 -0.832 10.897 1.00 0.00 C ATOM 1506 C GLU A 93 14.129 -0.424 11.030 1.00 0.00 C ATOM 1507 O GLU A 93 15.012 -1.283 11.169 1.00 0.00 O ATOM 1508 CB GLU A 93 12.314 -1.798 12.038 1.00 0.00 C ATOM 1509 CG GLU A 93 10.835 -2.223 11.931 1.00 0.00 C ATOM 1510 CD GLU A 93 10.459 -3.173 13.055 1.00 0.00 C ATOM 1511 OE1 GLU A 93 11.251 -3.368 13.956 1.00 0.00 O ATOM 1512 OE2 GLU A 93 9.370 -3.686 13.009 1.00 0.00 O ATOM 0 H GLU A 93 12.372 -2.491 9.659 1.00 0.00 H new ATOM 0 HA GLU A 93 12.033 0.048 10.958 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.956 -2.678 11.996 1.00 0.00 H new ATOM 0 HB3 GLU A 93 12.493 -1.318 13.000 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.196 -1.341 11.967 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.660 -2.705 10.969 1.00 0.00 H new ATOM 1519 N SER A 94 14.388 0.875 10.997 1.00 0.00 N ATOM 1520 CA SER A 94 15.745 1.355 11.126 1.00 0.00 C ATOM 1521 C SER A 94 16.288 1.004 12.494 1.00 0.00 C ATOM 1522 O SER A 94 15.530 0.648 13.395 1.00 0.00 O ATOM 1523 CB SER A 94 15.840 2.857 10.874 1.00 0.00 C ATOM 1524 OG SER A 94 15.413 3.147 9.545 1.00 0.00 O ATOM 0 H SER A 94 13.683 1.603 10.883 1.00 0.00 H new ATOM 0 HA SER A 94 16.351 0.863 10.365 1.00 0.00 H new ATOM 0 HB2 SER A 94 15.221 3.396 11.591 1.00 0.00 H new ATOM 0 HB3 SER A 94 16.866 3.196 11.019 1.00 0.00 H new ATOM 0 HG SER A 94 15.692 4.055 9.302 1.00 0.00 H new ATOM 1604 N GLN A 99 10.292 4.429 13.867 1.00 0.00 N ATOM 1605 CA GLN A 99 9.498 3.930 12.753 1.00 0.00 C ATOM 1606 C GLN A 99 10.383 3.438 11.616 1.00 0.00 C ATOM 1607 O GLN A 99 11.462 3.983 11.370 1.00 0.00 O ATOM 1608 CB GLN A 99 8.552 5.029 12.231 1.00 0.00 C ATOM 1609 CG GLN A 99 7.584 5.464 13.343 1.00 0.00 C ATOM 1610 CD GLN A 99 6.237 4.772 13.165 1.00 0.00 C ATOM 1611 OE1 GLN A 99 5.209 5.434 13.003 1.00 0.00 O ATOM 1612 NE2 GLN A 99 6.178 3.481 13.182 1.00 0.00 N ATOM 0 HA GLN A 99 8.910 3.089 13.121 1.00 0.00 H new ATOM 0 HB2 GLN A 99 9.132 5.886 11.887 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.990 4.659 11.373 1.00 0.00 H new ATOM 0 HG2 GLN A 99 8.003 5.216 14.318 1.00 0.00 H new ATOM 0 HG3 GLN A 99 7.452 6.546 13.318 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.028 2.933 13.316 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.281 3.010 13.061 1.00 0.00 H new ATOM 1621 N PRO A 100 9.935 2.430 10.916 1.00 0.00 N ATOM 1622 CA PRO A 100 10.670 1.883 9.741 1.00 0.00 C ATOM 1623 C PRO A 100 10.607 2.818 8.536 1.00 0.00 C ATOM 1624 O PRO A 100 9.580 3.447 8.286 1.00 0.00 O ATOM 1625 CB PRO A 100 9.928 0.576 9.446 1.00 0.00 C ATOM 1626 CG PRO A 100 8.530 0.846 9.871 1.00 0.00 C ATOM 1627 CD PRO A 100 8.639 1.739 11.108 1.00 0.00 C ATOM 0 HA PRO A 100 11.733 1.751 9.943 1.00 0.00 H new ATOM 0 HB2 PRO A 100 9.980 0.319 8.388 1.00 0.00 H new ATOM 0 HB3 PRO A 100 10.358 -0.259 9.999 1.00 0.00 H new ATOM 0 HG2 PRO A 100 7.969 1.341 9.079 1.00 0.00 H new ATOM 0 HG3 PRO A 100 8.005 -0.081 10.102 1.00 0.00 H new ATOM 0 HD2 PRO A 100 7.811 2.446 11.168 1.00 0.00 H new ATOM 0 HD3 PRO A 100 8.627 1.155 12.028 1.00 0.00 H new ATOM 1635 N ASP A 101 11.644 2.780 7.712 1.00 0.00 N ATOM 1636 CA ASP A 101 11.620 3.504 6.442 1.00 0.00 C ATOM 1637 C ASP A 101 10.693 2.782 5.512 1.00 0.00 C ATOM 1638 O ASP A 101 10.776 1.559 5.415 1.00 0.00 O ATOM 1639 CB ASP A 101 13.008 3.504 5.774 1.00 0.00 C ATOM 1640 CG ASP A 101 13.999 4.357 6.520 1.00 0.00 C ATOM 1641 OD1 ASP A 101 13.583 5.246 7.226 1.00 0.00 O ATOM 1642 OD2 ASP A 101 15.176 4.128 6.351 1.00 0.00 O ATOM 0 H ASP A 101 12.504 2.263 7.893 1.00 0.00 H new ATOM 0 HA ASP A 101 11.306 4.530 6.637 1.00 0.00 H new ATOM 0 HB2 ASP A 101 13.382 2.482 5.717 1.00 0.00 H new ATOM 0 HB3 ASP A 101 12.917 3.867 4.750 1.00 0.00 H new ATOM 1647 N PHE A 102 9.971 3.518 4.687 1.00 0.00 N ATOM 1648 CA PHE A 102 9.211 2.877 3.633 1.00 0.00 C ATOM 1649 C PHE A 102 10.109 2.774 2.430 1.00 0.00 C ATOM 1650 O PHE A 102 10.344 3.765 1.741 1.00 0.00 O ATOM 1651 CB PHE A 102 7.970 3.699 3.276 1.00 0.00 C ATOM 1652 CG PHE A 102 7.089 3.846 4.489 1.00 0.00 C ATOM 1653 CD1 PHE A 102 6.502 2.718 5.064 1.00 0.00 C ATOM 1654 CD2 PHE A 102 6.860 5.109 5.038 1.00 0.00 C ATOM 1655 CE1 PHE A 102 5.687 2.851 6.182 1.00 0.00 C ATOM 1656 CE2 PHE A 102 6.042 5.242 6.158 1.00 0.00 C ATOM 1657 CZ PHE A 102 5.457 4.111 6.732 1.00 0.00 C ATOM 0 H PHE A 102 9.896 4.535 4.724 1.00 0.00 H new ATOM 0 HA PHE A 102 8.876 1.894 3.963 1.00 0.00 H new ATOM 0 HB2 PHE A 102 8.267 4.682 2.909 1.00 0.00 H new ATOM 0 HB3 PHE A 102 7.419 3.212 2.472 1.00 0.00 H new ATOM 0 HD1 PHE A 102 6.681 1.741 4.640 1.00 0.00 H new ATOM 0 HD2 PHE A 102 7.316 5.982 4.595 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.232 1.978 6.625 1.00 0.00 H new ATOM 0 HE2 PHE A 102 5.860 6.219 6.582 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.826 4.213 7.603 1.00 0.00 H new ATOM 1667 N ILE A 103 10.706 1.617 2.252 1.00 0.00 N ATOM 1668 CA ILE A 103 11.692 1.451 1.209 1.00 0.00 C ATOM 1669 C ILE A 103 11.026 1.595 -0.140 1.00 0.00 C ATOM 1670 O ILE A 103 11.533 2.271 -1.030 1.00 0.00 O ATOM 1671 CB ILE A 103 12.355 0.068 1.318 1.00 0.00 C ATOM 1672 CG1 ILE A 103 13.159 -0.020 2.622 1.00 0.00 C ATOM 1673 CG2 ILE A 103 13.315 -0.138 0.133 1.00 0.00 C ATOM 1674 CD1 ILE A 103 13.623 -1.463 2.826 1.00 0.00 C ATOM 0 H ILE A 103 10.528 0.783 2.811 1.00 0.00 H new ATOM 0 HA ILE A 103 12.460 2.216 1.320 1.00 0.00 H new ATOM 0 HB ILE A 103 11.580 -0.698 1.308 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.018 0.649 2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 103 12.546 0.301 3.464 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.784 -1.119 0.211 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.758 -0.076 -0.802 1.00 0.00 H new ATOM 0 HG23 ILE A 103 14.084 0.635 0.149 1.00 0.00 H new ATOM 0 HD11 ILE A 103 14.195 -1.534 3.751 1.00 0.00 H new ATOM 0 HD12 ILE A 103 12.755 -2.119 2.885 1.00 0.00 H new ATOM 0 HD13 ILE A 103 14.250 -1.766 1.987 1.00 0.00 H new ATOM 1686 N ASN A 104 9.880 0.956 -0.278 1.00 0.00 N ATOM 1687 CA ASN A 104 9.139 0.967 -1.520 1.00 0.00 C ATOM 1688 C ASN A 104 7.661 0.889 -1.255 1.00 0.00 C ATOM 1689 O ASN A 104 7.219 0.125 -0.396 1.00 0.00 O ATOM 1690 CB ASN A 104 9.554 -0.220 -2.384 1.00 0.00 C ATOM 1691 CG ASN A 104 8.583 -0.393 -3.551 1.00 0.00 C ATOM 1692 OD1 ASN A 104 8.127 -1.506 -3.817 1.00 0.00 O ATOM 1693 ND2 ASN A 104 8.242 0.634 -4.274 1.00 0.00 N ATOM 0 H ASN A 104 9.439 0.417 0.467 1.00 0.00 H new ATOM 0 HA ASN A 104 9.360 1.898 -2.041 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.565 -0.067 -2.763 1.00 0.00 H new ATOM 0 HB3 ASN A 104 9.574 -1.128 -1.781 1.00 0.00 H new ATOM 0 HD21 ASN A 104 7.600 0.515 -5.057 1.00 0.00 H new ATOM 0 HD22 ASN A 104 8.617 1.557 -4.057 1.00 0.00 H new ATOM 1700 N MET A 105 6.894 1.603 -2.046 1.00 0.00 N ATOM 1701 CA MET A 105 5.459 1.521 -1.962 1.00 0.00 C ATOM 1702 C MET A 105 4.809 2.035 -3.230 1.00 0.00 C ATOM 1703 O MET A 105 5.194 3.087 -3.757 1.00 0.00 O ATOM 1704 CB MET A 105 4.925 2.205 -0.684 1.00 0.00 C ATOM 1705 CG MET A 105 4.182 3.505 -0.992 1.00 0.00 C ATOM 1706 SD MET A 105 2.513 3.136 -1.591 1.00 0.00 S ATOM 1707 CE MET A 105 1.789 2.689 0.010 1.00 0.00 C ATOM 0 H MET A 105 7.243 2.248 -2.755 1.00 0.00 H new ATOM 0 HA MET A 105 5.181 0.470 -1.877 1.00 0.00 H new ATOM 0 HB2 MET A 105 4.256 1.522 -0.161 1.00 0.00 H new ATOM 0 HB3 MET A 105 5.757 2.415 -0.011 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.128 4.124 -0.096 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.728 4.077 -1.742 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.755 3.030 0.050 1.00 0.00 H new ATOM 0 HE2 MET A 105 1.819 1.606 0.133 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.358 3.161 0.811 1.00 0.00 H new ATOM 1717 N TYR A 106 3.854 1.286 -3.741 1.00 0.00 N ATOM 1718 CA TYR A 106 3.182 1.665 -4.969 1.00 0.00 C ATOM 1719 C TYR A 106 1.726 1.274 -4.939 1.00 0.00 C ATOM 1720 O TYR A 106 1.321 0.399 -4.161 1.00 0.00 O ATOM 1721 CB TYR A 106 3.877 1.061 -6.206 1.00 0.00 C ATOM 1722 CG TYR A 106 3.855 -0.452 -6.157 1.00 0.00 C ATOM 1723 CD1 TYR A 106 2.786 -1.152 -6.729 1.00 0.00 C ATOM 1724 CD2 TYR A 106 4.906 -1.151 -5.552 1.00 0.00 C ATOM 1725 CE1 TYR A 106 2.767 -2.547 -6.697 1.00 0.00 C ATOM 1726 CE2 TYR A 106 4.885 -2.548 -5.520 1.00 0.00 C ATOM 1727 CZ TYR A 106 3.815 -3.247 -6.092 1.00 0.00 C ATOM 1728 OH TYR A 106 3.793 -4.626 -6.055 1.00 0.00 O ATOM 0 H TYR A 106 3.525 0.413 -3.327 1.00 0.00 H new ATOM 0 HA TYR A 106 3.243 2.751 -5.046 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.379 1.406 -7.112 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.908 1.412 -6.256 1.00 0.00 H new ATOM 0 HD1 TYR A 106 1.975 -0.612 -7.195 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.731 -0.612 -5.111 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.942 -3.086 -7.140 1.00 0.00 H new ATOM 0 HE2 TYR A 106 5.695 -3.089 -5.054 1.00 0.00 H new ATOM 0 HH TYR A 106 3.928 -4.931 -5.133 1.00 0.00 H new ATOM 1738 N VAL A 107 0.946 1.919 -5.783 1.00 0.00 N ATOM 1739 CA VAL A 107 -0.464 1.657 -5.862 1.00 0.00 C ATOM 1740 C VAL A 107 -0.790 1.048 -7.219 1.00 0.00 C ATOM 1741 O VAL A 107 -0.423 1.596 -8.273 1.00 0.00 O ATOM 1742 CB VAL A 107 -1.238 2.969 -5.654 1.00 0.00 C ATOM 1743 CG1 VAL A 107 -2.730 2.760 -5.923 1.00 0.00 C ATOM 1744 CG2 VAL A 107 -1.034 3.456 -4.214 1.00 0.00 C ATOM 0 H VAL A 107 1.277 2.636 -6.429 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.757 0.952 -5.084 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.862 3.717 -6.352 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.262 3.699 -5.771 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.871 2.425 -6.951 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.121 2.007 -5.239 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.582 4.386 -4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.403 2.701 -3.519 1.00 0.00 H new ATOM 0 HG23 VAL A 107 0.027 3.627 -4.035 1.00 0.00 H new ATOM 1754 N ASP A 108 -1.446 -0.088 -7.180 1.00 0.00 N ATOM 1755 CA ASP A 108 -1.842 -0.816 -8.368 1.00 0.00 C ATOM 1756 C ASP A 108 -3.337 -0.627 -8.600 1.00 0.00 C ATOM 1757 O ASP A 108 -4.151 -1.053 -7.769 1.00 0.00 O ATOM 1758 CB ASP A 108 -1.520 -2.308 -8.175 1.00 0.00 C ATOM 1759 CG ASP A 108 -1.585 -3.059 -9.483 1.00 0.00 C ATOM 1760 OD1 ASP A 108 -1.293 -2.475 -10.497 1.00 0.00 O ATOM 1761 OD2 ASP A 108 -1.906 -4.221 -9.453 1.00 0.00 O ATOM 0 H ASP A 108 -1.725 -0.541 -6.310 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.298 -0.441 -9.235 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.525 -2.414 -7.742 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.224 -2.745 -7.467 1.00 0.00 H new ATOM 1766 N VAL A 109 -3.703 0.061 -9.675 1.00 0.00 N ATOM 1767 CA VAL A 109 -5.111 0.348 -9.962 1.00 0.00 C ATOM 1768 C VAL A 109 -5.529 -0.260 -11.303 1.00 0.00 C ATOM 1769 O VAL A 109 -4.855 -0.067 -12.310 1.00 0.00 O ATOM 1770 CB VAL A 109 -5.349 1.874 -9.977 1.00 0.00 C ATOM 1771 CG1 VAL A 109 -6.850 2.181 -9.914 1.00 0.00 C ATOM 1772 CG2 VAL A 109 -4.649 2.523 -8.776 1.00 0.00 C ATOM 0 H VAL A 109 -3.048 0.432 -10.364 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.719 -0.102 -9.177 1.00 0.00 H new ATOM 0 HB VAL A 109 -4.940 2.279 -10.903 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.001 3.260 -9.925 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.349 1.736 -10.775 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -7.268 1.766 -8.997 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.821 3.599 -8.793 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -5.050 2.106 -7.852 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.578 2.326 -8.829 1.00 0.00 H new ATOM 1782 N PRO A 110 -6.633 -0.969 -11.335 1.00 0.00 N ATOM 1783 CA PRO A 110 -7.140 -1.574 -12.604 1.00 0.00 C ATOM 1784 C PRO A 110 -7.615 -0.497 -13.574 1.00 0.00 C ATOM 1785 O PRO A 110 -8.122 0.545 -13.157 1.00 0.00 O ATOM 1786 CB PRO A 110 -8.320 -2.427 -12.133 1.00 0.00 C ATOM 1787 CG PRO A 110 -8.847 -1.703 -10.941 1.00 0.00 C ATOM 1788 CD PRO A 110 -7.625 -1.101 -10.244 1.00 0.00 C ATOM 0 HA PRO A 110 -6.378 -2.142 -13.138 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -9.079 -2.519 -12.910 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -8.003 -3.438 -11.876 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -9.551 -0.925 -11.236 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -9.381 -2.382 -10.276 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -7.856 -0.136 -9.793 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -7.260 -1.747 -9.446 1.00 0.00 H new ATOM 1796 N GLY A 111 -7.467 -0.752 -14.864 1.00 0.00 N ATOM 1797 CA GLY A 111 -7.911 0.197 -15.889 1.00 0.00 C ATOM 1798 C GLY A 111 -7.055 1.459 -15.898 1.00 0.00 C ATOM 1799 O GLY A 111 -6.751 2.008 -16.967 1.00 0.00 O ATOM 0 H GLY A 111 -7.045 -1.604 -15.232 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -7.868 -0.279 -16.869 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -8.952 0.465 -15.710 1.00 0.00 H new ATOM 1803 N GLU A 112 -6.634 1.898 -14.723 1.00 0.00 N ATOM 1804 CA GLU A 112 -5.770 3.064 -14.601 1.00 0.00 C ATOM 1805 C GLU A 112 -4.320 2.608 -14.443 1.00 0.00 C ATOM 1806 O GLU A 112 -4.058 1.418 -14.245 1.00 0.00 O ATOM 1807 CB GLU A 112 -6.191 3.923 -13.400 1.00 0.00 C ATOM 1808 CG GLU A 112 -7.726 4.125 -13.368 1.00 0.00 C ATOM 1809 CD GLU A 112 -8.233 4.856 -14.607 1.00 0.00 C ATOM 1810 OE1 GLU A 112 -7.447 5.496 -15.267 1.00 0.00 O ATOM 1811 OE2 GLU A 112 -9.410 4.773 -14.876 1.00 0.00 O ATOM 0 H GLU A 112 -6.878 1.462 -13.834 1.00 0.00 H new ATOM 0 HA GLU A 112 -5.861 3.670 -15.502 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.865 3.446 -12.476 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -5.695 4.892 -13.451 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -8.218 3.155 -13.293 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -7.999 4.690 -12.477 1.00 0.00 H new ATOM 1818 N LYS A 113 -3.375 3.528 -14.567 1.00 0.00 N ATOM 1819 CA LYS A 113 -1.962 3.161 -14.438 1.00 0.00 C ATOM 1820 C LYS A 113 -1.568 2.973 -12.989 1.00 0.00 C ATOM 1821 O LYS A 113 -2.079 3.652 -12.102 1.00 0.00 O ATOM 1822 CB LYS A 113 -1.033 4.195 -15.082 1.00 0.00 C ATOM 1823 CG LYS A 113 -1.155 4.118 -16.603 1.00 0.00 C ATOM 1824 CD LYS A 113 -2.298 5.020 -17.059 1.00 0.00 C ATOM 1825 CE LYS A 113 -3.190 4.255 -18.028 1.00 0.00 C ATOM 1826 NZ LYS A 113 -2.494 4.102 -19.331 1.00 0.00 N ATOM 0 H LYS A 113 -3.549 4.516 -14.753 1.00 0.00 H new ATOM 0 HA LYS A 113 -1.847 2.215 -14.968 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -1.292 5.196 -14.737 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -0.002 4.010 -14.780 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -0.221 4.429 -17.071 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -1.341 3.090 -16.914 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -2.878 5.353 -16.199 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -1.901 5.913 -17.541 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -3.434 3.275 -17.617 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -4.132 4.786 -18.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -3.104 3.580 -19.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -2.283 5.041 -19.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -1.607 3.578 -19.191 1.00 0.00 H new ATOM 1840 N ARG A 114 -0.599 2.109 -12.776 1.00 0.00 N ATOM 1841 CA ARG A 114 -0.041 1.882 -11.459 1.00 0.00 C ATOM 1842 C ARG A 114 0.734 3.122 -11.030 1.00 0.00 C ATOM 1843 O ARG A 114 1.347 3.799 -11.877 1.00 0.00 O ATOM 1844 CB ARG A 114 0.904 0.678 -11.531 1.00 0.00 C ATOM 1845 CG ARG A 114 2.141 1.065 -12.351 1.00 0.00 C ATOM 1846 CD ARG A 114 2.980 -0.168 -12.661 1.00 0.00 C ATOM 1847 NE ARG A 114 4.221 0.247 -13.310 1.00 0.00 N ATOM 1848 CZ ARG A 114 5.176 -0.611 -13.671 1.00 0.00 C ATOM 1849 NH1 ARG A 114 5.013 -1.894 -13.494 1.00 0.00 N ATOM 1850 NH2 ARG A 114 6.269 -0.159 -14.206 1.00 0.00 N ATOM 0 H ARG A 114 -0.175 1.543 -13.511 1.00 0.00 H new ATOM 0 HA ARG A 114 -0.833 1.684 -10.737 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.198 0.369 -10.528 1.00 0.00 H new ATOM 0 HB3 ARG A 114 0.398 -0.171 -11.990 1.00 0.00 H new ATOM 0 HG2 ARG A 114 1.834 1.546 -13.279 1.00 0.00 H new ATOM 0 HG3 ARG A 114 2.739 1.790 -11.799 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.200 -0.713 -11.743 1.00 0.00 H new ATOM 0 HD3 ARG A 114 2.426 -0.846 -13.309 1.00 0.00 H new ATOM 0 HE ARG A 114 4.364 1.240 -13.496 1.00 0.00 H new ATOM 0 HH11 ARG A 114 4.151 -2.246 -13.077 1.00 0.00 H new ATOM 0 HH12 ARG A 114 5.748 -2.545 -13.772 1.00 0.00 H new ATOM 0 HH21 ARG A 114 6.391 0.844 -14.347 1.00 0.00 H new ATOM 0 HH22 ARG A 114 7.006 -0.807 -14.486 1.00 0.00 H new ATOM 1864 N TYR A 115 0.737 3.414 -9.740 1.00 0.00 N ATOM 1865 CA TYR A 115 1.467 4.577 -9.238 1.00 0.00 C ATOM 1866 C TYR A 115 2.450 4.157 -8.160 1.00 0.00 C ATOM 1867 O TYR A 115 2.046 3.630 -7.120 1.00 0.00 O ATOM 1868 CB TYR A 115 0.485 5.609 -8.665 1.00 0.00 C ATOM 1869 CG TYR A 115 1.188 6.938 -8.462 1.00 0.00 C ATOM 1870 CD1 TYR A 115 1.293 7.831 -9.533 1.00 0.00 C ATOM 1871 CD2 TYR A 115 1.725 7.277 -7.212 1.00 0.00 C ATOM 1872 CE1 TYR A 115 1.932 9.061 -9.363 1.00 0.00 C ATOM 1873 CE2 TYR A 115 2.368 8.513 -7.042 1.00 0.00 C ATOM 1874 CZ TYR A 115 2.470 9.404 -8.123 1.00 0.00 C ATOM 1875 OH TYR A 115 3.096 10.626 -7.963 1.00 0.00 O ATOM 0 H TYR A 115 0.250 2.873 -9.025 1.00 0.00 H new ATOM 0 HA TYR A 115 2.017 5.025 -10.066 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -0.359 5.735 -9.343 1.00 0.00 H new ATOM 0 HB3 TYR A 115 0.082 5.253 -7.717 1.00 0.00 H new ATOM 0 HD1 TYR A 115 0.878 7.568 -10.495 1.00 0.00 H new ATOM 0 HD2 TYR A 115 1.644 6.590 -6.383 1.00 0.00 H new ATOM 0 HE1 TYR A 115 2.010 9.748 -10.193 1.00 0.00 H new ATOM 0 HE2 TYR A 115 2.784 8.779 -6.081 1.00 0.00 H new ATOM 0 HH TYR A 115 2.489 11.343 -8.241 1.00 0.00 H new ATOM 1885 N TYR A 116 3.725 4.473 -8.350 1.00 0.00 N ATOM 1886 CA TYR A 116 4.712 4.183 -7.319 1.00 0.00 C ATOM 1887 C TYR A 116 4.862 5.387 -6.426 1.00 0.00 C ATOM 1888 O TYR A 116 5.634 6.298 -6.722 1.00 0.00 O ATOM 1889 CB TYR A 116 6.073 3.847 -7.951 1.00 0.00 C ATOM 1890 CG TYR A 116 6.062 2.444 -8.519 1.00 0.00 C ATOM 1891 CD1 TYR A 116 5.318 2.162 -9.666 1.00 0.00 C ATOM 1892 CD2 TYR A 116 6.813 1.428 -7.907 1.00 0.00 C ATOM 1893 CE1 TYR A 116 5.318 0.873 -10.202 1.00 0.00 C ATOM 1894 CE2 TYR A 116 6.809 0.136 -8.445 1.00 0.00 C ATOM 1895 CZ TYR A 116 6.061 -0.140 -9.593 1.00 0.00 C ATOM 1896 OH TYR A 116 6.057 -1.413 -10.128 1.00 0.00 O ATOM 0 H TYR A 116 4.094 4.920 -9.189 1.00 0.00 H new ATOM 0 HA TYR A 116 4.374 3.324 -6.739 1.00 0.00 H new ATOM 0 HB2 TYR A 116 6.301 4.563 -8.740 1.00 0.00 H new ATOM 0 HB3 TYR A 116 6.860 3.936 -7.202 1.00 0.00 H new ATOM 0 HD1 TYR A 116 4.741 2.943 -10.140 1.00 0.00 H new ATOM 0 HD2 TYR A 116 7.393 1.643 -7.022 1.00 0.00 H new ATOM 0 HE1 TYR A 116 4.742 0.659 -11.090 1.00 0.00 H new ATOM 0 HE2 TYR A 116 7.384 -0.647 -7.973 1.00 0.00 H new ATOM 0 HH TYR A 116 6.626 -1.998 -9.585 1.00 0.00 H new ATOM 1906 N LEU A 117 4.161 5.362 -5.306 1.00 0.00 N ATOM 1907 CA LEU A 117 4.246 6.432 -4.336 1.00 0.00 C ATOM 1908 C LEU A 117 5.647 6.499 -3.763 1.00 0.00 C ATOM 1909 O LEU A 117 6.249 7.574 -3.685 1.00 0.00 O ATOM 1910 CB LEU A 117 3.227 6.211 -3.210 1.00 0.00 C ATOM 1911 CG LEU A 117 3.310 7.356 -2.186 1.00 0.00 C ATOM 1912 CD1 LEU A 117 2.972 8.694 -2.853 1.00 0.00 C ATOM 1913 CD2 LEU A 117 2.336 7.094 -1.039 1.00 0.00 C ATOM 0 H LEU A 117 3.525 4.608 -5.048 1.00 0.00 H new ATOM 0 HA LEU A 117 4.019 7.376 -4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 117 2.221 6.157 -3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 117 3.420 5.258 -2.717 1.00 0.00 H new ATOM 0 HG LEU A 117 4.327 7.404 -1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 117 3.035 9.494 -2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 117 3.679 8.887 -3.660 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.961 8.653 -3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 117 2.398 7.907 -0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 117 1.321 7.033 -1.431 1.00 0.00 H new ATOM 0 HD23 LEU A 117 2.593 6.154 -0.551 1.00 0.00 H new ATOM 1925 N ILE A 118 6.180 5.337 -3.408 1.00 0.00 N ATOM 1926 CA ILE A 118 7.517 5.247 -2.865 1.00 0.00 C ATOM 1927 C ILE A 118 8.359 4.318 -3.722 1.00 0.00 C ATOM 1928 O ILE A 118 8.017 3.140 -3.912 1.00 0.00 O ATOM 1929 CB ILE A 118 7.462 4.749 -1.413 1.00 0.00 C ATOM 1930 CG1 ILE A 118 6.654 5.742 -0.563 1.00 0.00 C ATOM 1931 CG2 ILE A 118 8.877 4.631 -0.834 1.00 0.00 C ATOM 1932 CD1 ILE A 118 6.457 5.170 0.838 1.00 0.00 C ATOM 0 H ILE A 118 5.698 4.442 -3.490 1.00 0.00 H new ATOM 0 HA ILE A 118 7.976 6.235 -2.871 1.00 0.00 H new ATOM 0 HB ILE A 118 6.987 3.768 -1.397 1.00 0.00 H new ATOM 0 HG12 ILE A 118 7.175 6.698 -0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 118 5.687 5.933 -1.029 1.00 0.00 H new ATOM 0 HG21 ILE A 118 8.821 4.277 0.195 1.00 0.00 H new ATOM 0 HG22 ILE A 118 9.456 3.925 -1.429 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.362 5.607 -0.856 1.00 0.00 H new ATOM 0 HD11 ILE A 118 5.884 5.874 1.441 1.00 0.00 H new ATOM 0 HD12 ILE A 118 5.918 4.225 0.773 1.00 0.00 H new ATOM 0 HD13 ILE A 118 7.429 5.002 1.302 1.00 0.00 H new ATOM 1944 N LYS A 119 9.459 4.837 -4.222 1.00 0.00 N ATOM 1945 CA LYS A 119 10.342 4.074 -5.081 1.00 0.00 C ATOM 1946 C LYS A 119 11.439 3.406 -4.261 1.00 0.00 C ATOM 1947 O LYS A 119 12.044 4.046 -3.406 1.00 0.00 O ATOM 1948 CB LYS A 119 10.961 5.001 -6.129 1.00 0.00 C ATOM 1949 CG LYS A 119 9.865 5.883 -6.763 1.00 0.00 C ATOM 1950 CD LYS A 119 9.398 5.268 -8.092 1.00 0.00 C ATOM 1951 CE LYS A 119 8.441 6.239 -8.808 1.00 0.00 C ATOM 1952 NZ LYS A 119 9.132 7.533 -9.056 1.00 0.00 N ATOM 0 H LYS A 119 9.767 5.794 -4.047 1.00 0.00 H new ATOM 0 HA LYS A 119 9.765 3.296 -5.581 1.00 0.00 H new ATOM 0 HB2 LYS A 119 11.723 5.629 -5.667 1.00 0.00 H new ATOM 0 HB3 LYS A 119 11.457 4.412 -6.900 1.00 0.00 H new ATOM 0 HG2 LYS A 119 9.021 5.976 -6.080 1.00 0.00 H new ATOM 0 HG3 LYS A 119 10.249 6.889 -6.933 1.00 0.00 H new ATOM 0 HD2 LYS A 119 10.258 5.056 -8.727 1.00 0.00 H new ATOM 0 HD3 LYS A 119 8.896 4.318 -7.907 1.00 0.00 H new ATOM 0 HE2 LYS A 119 8.108 5.807 -9.752 1.00 0.00 H new ATOM 0 HE3 LYS A 119 7.551 6.402 -8.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 8.702 8.005 -9.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 9.039 8.142 -8.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 10.139 7.358 -9.246 1.00 0.00 H new ATOM 1966 N PRO A 120 11.704 2.140 -4.502 1.00 0.00 N ATOM 1967 CA PRO A 120 12.760 1.407 -3.752 1.00 0.00 C ATOM 1968 C PRO A 120 14.159 1.930 -4.058 1.00 0.00 C ATOM 1969 O PRO A 120 14.330 3.005 -4.642 1.00 0.00 O ATOM 1970 CB PRO A 120 12.624 -0.060 -4.176 1.00 0.00 C ATOM 1971 CG PRO A 120 11.460 -0.138 -5.118 1.00 0.00 C ATOM 1972 CD PRO A 120 11.079 1.290 -5.529 1.00 0.00 C ATOM 0 HA PRO A 120 12.629 1.540 -2.678 1.00 0.00 H new ATOM 0 HB2 PRO A 120 13.536 -0.407 -4.661 1.00 0.00 H new ATOM 0 HB3 PRO A 120 12.461 -0.699 -3.308 1.00 0.00 H new ATOM 0 HG2 PRO A 120 11.720 -0.729 -5.996 1.00 0.00 H new ATOM 0 HG3 PRO A 120 10.616 -0.634 -4.639 1.00 0.00 H new ATOM 0 HD2 PRO A 120 11.451 1.530 -6.525 1.00 0.00 H new ATOM 0 HD3 PRO A 120 9.997 1.423 -5.552 1.00 0.00 H new ATOM 1980 N LYS A 121 15.153 1.182 -3.626 1.00 0.00 N ATOM 1981 CA LYS A 121 16.550 1.573 -3.795 1.00 0.00 C ATOM 1982 C LYS A 121 16.982 1.436 -5.249 1.00 0.00 C ATOM 1983 O LYS A 121 18.001 0.809 -5.547 1.00 0.00 O ATOM 1984 CB LYS A 121 17.450 0.696 -2.917 1.00 0.00 C ATOM 1985 CG LYS A 121 16.842 0.534 -1.518 1.00 0.00 C ATOM 1986 CD LYS A 121 16.539 1.910 -0.907 1.00 0.00 C ATOM 1987 CE LYS A 121 17.258 2.046 0.446 1.00 0.00 C ATOM 1988 NZ LYS A 121 18.443 2.931 0.285 1.00 0.00 N ATOM 0 H LYS A 121 15.024 0.289 -3.150 1.00 0.00 H new ATOM 0 HA LYS A 121 16.646 2.617 -3.496 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.578 -0.282 -3.380 1.00 0.00 H new ATOM 0 HB3 LYS A 121 18.441 1.144 -2.840 1.00 0.00 H new ATOM 0 HG2 LYS A 121 15.927 -0.055 -1.578 1.00 0.00 H new ATOM 0 HG3 LYS A 121 17.532 -0.013 -0.875 1.00 0.00 H new ATOM 0 HD2 LYS A 121 16.866 2.699 -1.584 1.00 0.00 H new ATOM 0 HD3 LYS A 121 15.464 2.030 -0.772 1.00 0.00 H new ATOM 0 HE2 LYS A 121 16.579 2.460 1.192 1.00 0.00 H new ATOM 0 HE3 LYS A 121 17.568 1.065 0.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 18.932 3.026 1.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 19.092 2.518 -0.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 18.134 3.869 -0.041 1.00 0.00 H new