USER MOD reduce.3.24.130724 H: found=0, std=0, add=900, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 901 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 22 LYS NZ :NH3+ -169:sc= 1.2 (180deg=0) USER MOD Set 1.2: A 99 GLN : amide:sc= 0.148 K(o=1.3,f=-14!) USER MOD Set 2.1: A 56 ASN : amide:sc= -0.149 K(o=-0.58,f=-2.1!) USER MOD Set 2.2: A 62 TYR OH : rot -17:sc= -0.435 USER MOD Set 3.1: A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 29 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 14 LYS NZ :NH3+ -147:sc= -0.207 (180deg=0) USER MOD Set 4.2: A 18 GLN : amide:sc= -0.23 K(o=-0.63,f=0.35) USER MOD Set 4.3: A 106 GLN : amide:sc= 0.0189 K(o=-0.63,f=0.35) USER MOD Set 4.4: A 110 GLN : amide:sc= -0.214 K(o=-0.63,f=0.35) USER MOD Single : A 6 SER OG : rot 16:sc= 0.428 USER MOD Single : A 15 THR OG1 : rot 103:sc= 1.23 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.444 K(o=-0.44,f=-1.6) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.493 X(o=-0.49,f=-0.3) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 171:sc= 0 (180deg=-0.093) USER MOD Single : A 52 THR OG1 : rot 52:sc= 0.614 USER MOD Single : A 53 MET CE :methyl -160:sc= -0.265 (180deg=-0.959) USER MOD Single : A 54 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.489) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.286 K(o=-0.29,f=-1.1) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -1.34 K(o=-1.3,f=-2.5) USER MOD Single : A 79 CYS SG : rot -143:sc= 0.405 USER MOD Single : A 81 LYS NZ :NH3+ -106:sc= 0 (180deg=-0.612) USER MOD Single : A 82 TYR OH : rot -20:sc= -0.602 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -56:sc= -0.932 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl 164:sc=-0.00628 (180deg=-0.301) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 6 -0.602 20.126 2.344 1.00 0.00 N ATOM 49 CA SER A 6 -0.461 19.291 3.531 1.00 0.00 C ATOM 50 C SER A 6 -1.666 18.369 3.693 1.00 0.00 C ATOM 51 O SER A 6 -1.518 17.175 3.949 1.00 0.00 O ATOM 52 CB SER A 6 -0.300 20.163 4.777 1.00 0.00 C ATOM 53 OG SER A 6 0.460 21.325 4.493 1.00 0.00 O ATOM 0 HA SER A 6 0.431 18.676 3.409 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.282 20.450 5.153 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.188 19.590 5.565 1.00 0.00 H new ATOM 0 HG SER A 6 0.502 21.459 3.523 1.00 0.00 H new ATOM 59 N GLY A 7 -2.859 18.934 3.544 1.00 0.00 N ATOM 60 CA GLY A 7 -4.073 18.150 3.677 1.00 0.00 C ATOM 61 C GLY A 7 -3.944 16.771 3.061 1.00 0.00 C ATOM 62 O GLY A 7 -4.254 15.765 3.702 1.00 0.00 O ATOM 0 H GLY A 7 -3.007 19.921 3.333 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.324 18.051 4.733 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.898 18.681 3.202 1.00 0.00 H new ATOM 66 N PHE A 8 -3.485 16.722 1.815 1.00 0.00 N ATOM 67 CA PHE A 8 -3.316 15.455 1.112 1.00 0.00 C ATOM 68 C PHE A 8 -2.472 14.485 1.933 1.00 0.00 C ATOM 69 O PHE A 8 -2.828 13.316 2.094 1.00 0.00 O ATOM 70 CB PHE A 8 -2.664 15.688 -0.252 1.00 0.00 C ATOM 71 CG PHE A 8 -2.438 14.424 -1.032 1.00 0.00 C ATOM 72 CD1 PHE A 8 -3.510 13.677 -1.491 1.00 0.00 C ATOM 73 CD2 PHE A 8 -1.153 13.985 -1.306 1.00 0.00 C ATOM 74 CE1 PHE A 8 -3.305 12.513 -2.208 1.00 0.00 C ATOM 75 CE2 PHE A 8 -0.941 12.822 -2.023 1.00 0.00 C ATOM 76 CZ PHE A 8 -2.019 12.086 -2.476 1.00 0.00 C ATOM 0 H PHE A 8 -3.223 17.544 1.271 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.303 15.015 0.965 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.293 16.359 -0.837 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -1.708 16.192 -0.108 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -4.518 14.008 -1.286 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.307 14.558 -0.956 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.149 11.938 -2.558 1.00 0.00 H new ATOM 0 HE2 PHE A 8 0.066 12.489 -2.229 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.856 11.179 -3.039 1.00 0.00 H new ATOM 86 N LEU A 9 -1.352 14.976 2.450 1.00 0.00 N ATOM 87 CA LEU A 9 -0.455 14.154 3.254 1.00 0.00 C ATOM 88 C LEU A 9 -1.221 13.431 4.357 1.00 0.00 C ATOM 89 O LEU A 9 -1.109 12.214 4.509 1.00 0.00 O ATOM 90 CB LEU A 9 0.650 15.018 3.868 1.00 0.00 C ATOM 91 CG LEU A 9 1.354 15.982 2.914 1.00 0.00 C ATOM 92 CD1 LEU A 9 2.559 16.617 3.590 1.00 0.00 C ATOM 93 CD2 LEU A 9 1.773 15.263 1.640 1.00 0.00 C ATOM 0 H LEU A 9 -1.043 15.940 2.327 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.003 13.408 2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.220 15.597 4.685 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.400 14.358 4.305 1.00 0.00 H new ATOM 0 HG LEU A 9 0.654 16.773 2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.048 17.300 2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.233 17.168 4.472 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.261 15.838 3.888 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.273 15.966 0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.456 14.451 1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.891 14.857 1.145 1.00 0.00 H new ATOM 105 N ILE A 10 -2.002 14.187 5.123 1.00 0.00 N ATOM 106 CA ILE A 10 -2.789 13.617 6.208 1.00 0.00 C ATOM 107 C ILE A 10 -3.663 12.471 5.710 1.00 0.00 C ATOM 108 O ILE A 10 -3.694 11.394 6.307 1.00 0.00 O ATOM 109 CB ILE A 10 -3.684 14.679 6.872 1.00 0.00 C ATOM 110 CG1 ILE A 10 -2.826 15.739 7.567 1.00 0.00 C ATOM 111 CG2 ILE A 10 -4.636 14.027 7.864 1.00 0.00 C ATOM 112 CD1 ILE A 10 -2.445 16.893 6.668 1.00 0.00 C ATOM 0 H ILE A 10 -2.106 15.196 5.011 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.082 13.237 6.945 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.276 15.167 6.098 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.369 16.125 8.430 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.918 15.269 7.945 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.261 14.792 8.324 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.267 13.307 7.343 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.062 13.514 8.636 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.838 17.605 7.227 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.875 16.519 5.818 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.347 17.388 6.310 1.00 0.00 H new ATOM 124 N LEU A 11 -4.372 12.709 4.613 1.00 0.00 N ATOM 125 CA LEU A 11 -5.247 11.696 4.032 1.00 0.00 C ATOM 126 C LEU A 11 -4.486 10.397 3.784 1.00 0.00 C ATOM 127 O LEU A 11 -5.029 9.305 3.956 1.00 0.00 O ATOM 128 CB LEU A 11 -5.850 12.205 2.721 1.00 0.00 C ATOM 129 CG LEU A 11 -6.765 11.229 1.980 1.00 0.00 C ATOM 130 CD1 LEU A 11 -7.937 10.825 2.860 1.00 0.00 C ATOM 131 CD2 LEU A 11 -7.258 11.845 0.679 1.00 0.00 C ATOM 0 H LEU A 11 -4.359 13.595 4.107 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.051 11.496 4.741 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.415 13.113 2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.035 12.485 2.054 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.193 10.333 1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.578 10.130 2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.564 10.343 3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.511 11.711 3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.908 11.137 0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.815 12.757 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.405 12.083 0.043 1.00 0.00 H new ATOM 143 N LEU A 12 -3.226 10.523 3.383 1.00 0.00 N ATOM 144 CA LEU A 12 -2.389 9.358 3.114 1.00 0.00 C ATOM 145 C LEU A 12 -1.951 8.692 4.414 1.00 0.00 C ATOM 146 O LEU A 12 -1.998 7.468 4.543 1.00 0.00 O ATOM 147 CB LEU A 12 -1.162 9.766 2.297 1.00 0.00 C ATOM 148 CG LEU A 12 -1.339 9.769 0.778 1.00 0.00 C ATOM 149 CD1 LEU A 12 -2.514 10.647 0.379 1.00 0.00 C ATOM 150 CD2 LEU A 12 -0.063 10.241 0.095 1.00 0.00 C ATOM 0 H LEU A 12 -2.761 11.419 3.237 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.977 8.642 2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.858 10.765 2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.343 9.091 2.546 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.547 8.750 0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.624 10.637 -0.705 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.426 10.267 0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.336 11.668 0.716 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.206 10.237 -0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.174 11.252 0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.758 9.572 0.355 1.00 0.00 H new ATOM 162 N ARG A 13 -1.525 9.504 5.376 1.00 0.00 N ATOM 163 CA ARG A 13 -1.078 8.993 6.666 1.00 0.00 C ATOM 164 C ARG A 13 -2.206 8.249 7.376 1.00 0.00 C ATOM 165 O ARG A 13 -2.010 7.150 7.894 1.00 0.00 O ATOM 166 CB ARG A 13 -0.577 10.139 7.546 1.00 0.00 C ATOM 167 CG ARG A 13 0.721 10.761 7.056 1.00 0.00 C ATOM 168 CD ARG A 13 1.137 11.938 7.924 1.00 0.00 C ATOM 169 NE ARG A 13 2.556 12.250 7.779 1.00 0.00 N ATOM 170 CZ ARG A 13 3.219 13.057 8.600 1.00 0.00 C ATOM 171 NH1 ARG A 13 2.594 13.631 9.619 1.00 0.00 N ATOM 172 NH2 ARG A 13 4.510 13.292 8.403 1.00 0.00 N ATOM 0 H ARG A 13 -1.480 10.519 5.286 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.260 8.295 6.489 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.345 10.911 7.594 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.432 9.770 8.561 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.510 10.009 7.059 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.600 11.093 6.025 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.544 12.813 7.657 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.920 11.713 8.968 1.00 0.00 H new ATOM 0 HE ARG A 13 3.066 11.825 7.005 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.602 13.453 9.774 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.106 14.250 10.248 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.995 12.853 7.620 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.018 13.912 9.034 1.00 0.00 H new ATOM 186 N LYS A 14 -3.389 8.855 7.394 1.00 0.00 N ATOM 187 CA LYS A 14 -4.548 8.251 8.038 1.00 0.00 C ATOM 188 C LYS A 14 -5.036 7.037 7.254 1.00 0.00 C ATOM 189 O LYS A 14 -5.490 6.050 7.835 1.00 0.00 O ATOM 190 CB LYS A 14 -5.678 9.276 8.166 1.00 0.00 C ATOM 191 CG LYS A 14 -6.500 9.436 6.899 1.00 0.00 C ATOM 192 CD LYS A 14 -7.675 8.473 6.870 1.00 0.00 C ATOM 193 CE LYS A 14 -8.913 9.085 7.507 1.00 0.00 C ATOM 194 NZ LYS A 14 -10.167 8.541 6.917 1.00 0.00 N ATOM 0 H LYS A 14 -3.569 9.765 6.969 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.249 7.922 9.033 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.337 8.978 8.981 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.252 10.242 8.437 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.866 10.460 6.829 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.866 9.264 6.029 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.894 8.196 5.839 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.409 7.557 7.397 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -8.903 8.892 8.580 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -8.891 10.167 7.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -10.899 9.280 6.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.985 8.231 5.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.494 7.731 7.482 1.00 0.00 H new ATOM 208 N THR A 15 -4.937 7.114 5.930 1.00 0.00 N ATOM 209 CA THR A 15 -5.367 6.022 5.067 1.00 0.00 C ATOM 210 C THR A 15 -4.455 4.810 5.218 1.00 0.00 C ATOM 211 O THR A 15 -4.925 3.677 5.332 1.00 0.00 O ATOM 212 CB THR A 15 -5.391 6.451 3.587 1.00 0.00 C ATOM 213 OG1 THR A 15 -6.469 7.364 3.359 1.00 0.00 O ATOM 214 CG2 THR A 15 -5.540 5.243 2.675 1.00 0.00 C ATOM 0 H THR A 15 -4.563 7.922 5.433 1.00 0.00 H new ATOM 0 HA THR A 15 -6.377 5.754 5.376 1.00 0.00 H new ATOM 0 HB THR A 15 -4.445 6.943 3.359 1.00 0.00 H new ATOM 0 HG1 THR A 15 -6.117 8.277 3.297 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.554 5.571 1.636 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.701 4.565 2.830 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.472 4.726 2.905 1.00 0.00 H new ATOM 222 N LEU A 16 -3.149 5.054 5.218 1.00 0.00 N ATOM 223 CA LEU A 16 -2.171 3.981 5.357 1.00 0.00 C ATOM 224 C LEU A 16 -2.461 3.135 6.592 1.00 0.00 C ATOM 225 O LEU A 16 -2.292 1.916 6.574 1.00 0.00 O ATOM 226 CB LEU A 16 -0.758 4.561 5.442 1.00 0.00 C ATOM 227 CG LEU A 16 0.328 3.611 5.946 1.00 0.00 C ATOM 228 CD1 LEU A 16 0.521 2.457 4.975 1.00 0.00 C ATOM 229 CD2 LEU A 16 1.637 4.360 6.154 1.00 0.00 C ATOM 0 H LEU A 16 -2.743 5.985 5.123 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.243 3.341 4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.472 4.915 4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.783 5.432 6.097 1.00 0.00 H new ATOM 0 HG LEU A 16 0.010 3.202 6.905 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.298 1.791 5.351 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.413 1.905 4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.817 2.847 4.001 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.399 3.668 6.513 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.960 4.797 5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.490 5.152 6.889 1.00 0.00 H new ATOM 241 N GLU A 17 -2.900 3.790 7.662 1.00 0.00 N ATOM 242 CA GLU A 17 -3.215 3.097 8.905 1.00 0.00 C ATOM 243 C GLU A 17 -4.472 2.245 8.750 1.00 0.00 C ATOM 244 O GLU A 17 -4.495 1.078 9.139 1.00 0.00 O ATOM 245 CB GLU A 17 -3.406 4.103 10.042 1.00 0.00 C ATOM 246 CG GLU A 17 -2.137 4.857 10.406 1.00 0.00 C ATOM 247 CD GLU A 17 -2.100 5.266 11.866 1.00 0.00 C ATOM 248 OE1 GLU A 17 -1.618 4.464 12.694 1.00 0.00 O ATOM 249 OE2 GLU A 17 -2.553 6.386 12.180 1.00 0.00 O ATOM 0 H GLU A 17 -3.045 4.799 7.693 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.379 2.441 9.146 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.176 4.820 9.756 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.772 3.577 10.924 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.272 4.232 10.186 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.055 5.746 9.781 1.00 0.00 H new ATOM 256 N GLN A 18 -5.515 2.839 8.180 1.00 0.00 N ATOM 257 CA GLN A 18 -6.777 2.135 7.974 1.00 0.00 C ATOM 258 C GLN A 18 -6.540 0.773 7.331 1.00 0.00 C ATOM 259 O GLN A 18 -7.190 -0.212 7.683 1.00 0.00 O ATOM 260 CB GLN A 18 -7.714 2.971 7.101 1.00 0.00 C ATOM 261 CG GLN A 18 -8.226 4.227 7.787 1.00 0.00 C ATOM 262 CD GLN A 18 -9.524 4.731 7.186 1.00 0.00 C ATOM 263 OE1 GLN A 18 -10.603 4.229 7.502 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.426 5.730 6.317 1.00 0.00 N ATOM 0 H GLN A 18 -5.512 3.805 7.853 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.243 1.980 8.947 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.190 3.254 6.188 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -8.564 2.357 6.804 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.376 4.022 8.847 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.470 5.009 7.717 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.511 6.116 6.084 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.266 6.112 5.882 1.00 0.00 H new ATOM 273 N LEU A 19 -5.609 0.725 6.385 1.00 0.00 N ATOM 274 CA LEU A 19 -5.287 -0.518 5.691 1.00 0.00 C ATOM 275 C LEU A 19 -4.668 -1.531 6.648 1.00 0.00 C ATOM 276 O LEU A 19 -5.105 -2.679 6.719 1.00 0.00 O ATOM 277 CB LEU A 19 -4.330 -0.243 4.530 1.00 0.00 C ATOM 278 CG LEU A 19 -4.827 0.739 3.469 1.00 0.00 C ATOM 279 CD1 LEU A 19 -3.663 1.275 2.650 1.00 0.00 C ATOM 280 CD2 LEU A 19 -5.854 0.072 2.564 1.00 0.00 C ATOM 0 H LEU A 19 -5.064 1.531 6.081 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.213 -0.937 5.298 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.394 0.138 4.939 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.102 -1.190 4.041 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.306 1.577 3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.036 1.972 1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.962 1.790 3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.155 0.447 2.155 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.197 0.786 1.815 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.399 -0.785 2.067 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.702 -0.263 3.161 1.00 0.00 H new ATOM 292 N GLN A 20 -3.648 -1.097 7.382 1.00 0.00 N ATOM 293 CA GLN A 20 -2.969 -1.967 8.336 1.00 0.00 C ATOM 294 C GLN A 20 -3.977 -2.742 9.179 1.00 0.00 C ATOM 295 O GLN A 20 -3.817 -3.940 9.407 1.00 0.00 O ATOM 296 CB GLN A 20 -2.052 -1.145 9.244 1.00 0.00 C ATOM 297 CG GLN A 20 -0.963 -0.397 8.491 1.00 0.00 C ATOM 298 CD GLN A 20 0.290 -0.198 9.322 1.00 0.00 C ATOM 299 OE1 GLN A 20 0.595 0.915 9.749 1.00 0.00 O ATOM 300 NE2 GLN A 20 1.022 -1.281 9.556 1.00 0.00 N ATOM 0 H GLN A 20 -3.274 -0.149 7.335 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.367 -2.681 7.774 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.654 -0.428 9.802 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -1.588 -1.808 9.974 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.710 -0.947 7.585 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.345 0.575 8.178 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.731 -2.184 9.182 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.876 -1.210 10.110 1.00 0.00 H new ATOM 309 N GLU A 21 -5.015 -2.049 9.639 1.00 0.00 N ATOM 310 CA GLU A 21 -6.047 -2.673 10.457 1.00 0.00 C ATOM 311 C GLU A 21 -6.420 -4.047 9.907 1.00 0.00 C ATOM 312 O GLU A 21 -6.540 -5.017 10.656 1.00 0.00 O ATOM 313 CB GLU A 21 -7.289 -1.781 10.518 1.00 0.00 C ATOM 314 CG GLU A 21 -7.165 -0.633 11.506 1.00 0.00 C ATOM 315 CD GLU A 21 -7.291 -1.087 12.947 1.00 0.00 C ATOM 316 OE1 GLU A 21 -8.427 -1.369 13.383 1.00 0.00 O ATOM 317 OE2 GLU A 21 -6.254 -1.161 13.640 1.00 0.00 O ATOM 0 H GLU A 21 -5.162 -1.056 9.459 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.650 -2.800 11.464 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.484 -1.376 9.525 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.151 -2.391 10.788 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.202 -0.141 11.367 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.935 0.109 11.294 1.00 0.00 H new ATOM 324 N LYS A 22 -6.605 -4.121 8.594 1.00 0.00 N ATOM 325 CA LYS A 22 -6.965 -5.374 7.941 1.00 0.00 C ATOM 326 C LYS A 22 -5.895 -6.437 8.175 1.00 0.00 C ATOM 327 O LYS A 22 -6.207 -7.603 8.413 1.00 0.00 O ATOM 328 CB LYS A 22 -7.159 -5.154 6.439 1.00 0.00 C ATOM 329 CG LYS A 22 -8.225 -4.125 6.107 1.00 0.00 C ATOM 330 CD LYS A 22 -9.617 -4.635 6.442 1.00 0.00 C ATOM 331 CE LYS A 22 -10.659 -3.534 6.323 1.00 0.00 C ATOM 332 NZ LYS A 22 -12.021 -4.020 6.676 1.00 0.00 N ATOM 0 H LYS A 22 -6.512 -3.327 7.960 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.902 -5.724 8.375 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.212 -4.838 6.002 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.424 -6.103 5.973 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.030 -3.207 6.661 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.173 -3.875 5.047 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.876 -5.456 5.773 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.624 -5.036 7.456 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.388 -2.705 6.977 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.664 -3.147 5.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.726 -3.304 6.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.216 -4.906 6.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -12.074 -4.190 7.701 1.00 0.00 H new ATOM 346 N ASP A 23 -4.634 -6.024 8.108 1.00 0.00 N ATOM 347 CA ASP A 23 -3.518 -6.940 8.316 1.00 0.00 C ATOM 348 C ASP A 23 -3.371 -7.290 9.793 1.00 0.00 C ATOM 349 O ASP A 23 -2.872 -6.492 10.585 1.00 0.00 O ATOM 350 CB ASP A 23 -2.220 -6.324 7.793 1.00 0.00 C ATOM 351 CG ASP A 23 -1.142 -7.361 7.553 1.00 0.00 C ATOM 352 OD1 ASP A 23 -1.492 -8.538 7.327 1.00 0.00 O ATOM 353 OD2 ASP A 23 0.052 -6.996 7.592 1.00 0.00 O ATOM 0 H ASP A 23 -4.359 -5.062 7.911 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.724 -7.856 7.763 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.422 -5.793 6.863 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -1.857 -5.586 8.509 1.00 0.00 H new ATOM 358 N THR A 24 -3.810 -8.492 10.158 1.00 0.00 N ATOM 359 CA THR A 24 -3.730 -8.947 11.540 1.00 0.00 C ATOM 360 C THR A 24 -2.416 -9.673 11.804 1.00 0.00 C ATOM 361 O THR A 24 -1.858 -9.589 12.898 1.00 0.00 O ATOM 362 CB THR A 24 -4.900 -9.885 11.892 1.00 0.00 C ATOM 363 OG1 THR A 24 -4.832 -11.074 11.095 1.00 0.00 O ATOM 364 CG2 THR A 24 -6.236 -9.193 11.664 1.00 0.00 C ATOM 0 H THR A 24 -4.224 -9.167 9.515 1.00 0.00 H new ATOM 0 HA THR A 24 -3.785 -8.058 12.169 1.00 0.00 H new ATOM 0 HB THR A 24 -4.820 -10.149 12.947 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.578 -11.666 11.326 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.047 -9.875 11.919 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.297 -8.305 12.292 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.322 -8.903 10.617 1.00 0.00 H new ATOM 372 N GLY A 25 -1.924 -10.384 10.794 1.00 0.00 N ATOM 373 CA GLY A 25 -0.678 -11.113 10.938 1.00 0.00 C ATOM 374 C GLY A 25 0.537 -10.215 10.813 1.00 0.00 C ATOM 375 O GLY A 25 1.646 -10.606 11.176 1.00 0.00 O ATOM 0 H GLY A 25 -2.366 -10.468 9.879 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.661 -11.609 11.908 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.628 -11.894 10.180 1.00 0.00 H new ATOM 379 N ASN A 26 0.328 -9.009 10.296 1.00 0.00 N ATOM 380 CA ASN A 26 1.417 -8.053 10.123 1.00 0.00 C ATOM 381 C ASN A 26 2.509 -8.630 9.228 1.00 0.00 C ATOM 382 O ASN A 26 3.694 -8.366 9.430 1.00 0.00 O ATOM 383 CB ASN A 26 2.006 -7.667 11.482 1.00 0.00 C ATOM 384 CG ASN A 26 0.948 -7.570 12.564 1.00 0.00 C ATOM 385 OD1 ASN A 26 0.642 -8.553 13.237 1.00 0.00 O ATOM 386 ND2 ASN A 26 0.385 -6.380 12.734 1.00 0.00 N ATOM 0 H ASN A 26 -0.584 -8.670 9.990 1.00 0.00 H new ATOM 0 HA ASN A 26 1.012 -7.161 9.644 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.754 -8.405 11.774 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.520 -6.710 11.394 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.334 -6.253 13.447 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.671 -5.593 12.152 1.00 0.00 H new ATOM 393 N ILE A 27 2.101 -9.417 8.239 1.00 0.00 N ATOM 394 CA ILE A 27 3.045 -10.030 7.311 1.00 0.00 C ATOM 395 C ILE A 27 3.694 -8.981 6.414 1.00 0.00 C ATOM 396 O ILE A 27 4.886 -9.056 6.116 1.00 0.00 O ATOM 397 CB ILE A 27 2.359 -11.090 6.429 1.00 0.00 C ATOM 398 CG1 ILE A 27 1.766 -12.202 7.297 1.00 0.00 C ATOM 399 CG2 ILE A 27 3.349 -11.664 5.426 1.00 0.00 C ATOM 400 CD1 ILE A 27 0.931 -13.194 6.519 1.00 0.00 C ATOM 0 H ILE A 27 1.123 -9.646 8.059 1.00 0.00 H new ATOM 0 HA ILE A 27 3.813 -10.513 7.915 1.00 0.00 H new ATOM 0 HB ILE A 27 1.548 -10.614 5.878 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.576 -12.734 7.796 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.151 -11.754 8.077 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.850 -12.412 4.810 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.728 -10.864 4.790 1.00 0.00 H new ATOM 0 HG23 ILE A 27 4.179 -12.128 5.959 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.543 -13.954 7.197 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.100 -12.675 6.042 1.00 0.00 H new ATOM 0 HD13 ILE A 27 1.548 -13.670 5.756 1.00 0.00 H new ATOM 412 N PHE A 28 2.902 -8.001 5.991 1.00 0.00 N ATOM 413 CA PHE A 28 3.399 -6.935 5.128 1.00 0.00 C ATOM 414 C PHE A 28 3.864 -5.739 5.955 1.00 0.00 C ATOM 415 O PHE A 28 4.490 -4.816 5.434 1.00 0.00 O ATOM 416 CB PHE A 28 2.313 -6.498 4.144 1.00 0.00 C ATOM 417 CG PHE A 28 1.447 -7.628 3.666 1.00 0.00 C ATOM 418 CD1 PHE A 28 0.381 -8.073 4.431 1.00 0.00 C ATOM 419 CD2 PHE A 28 1.697 -8.245 2.451 1.00 0.00 C ATOM 420 CE1 PHE A 28 -0.418 -9.113 3.994 1.00 0.00 C ATOM 421 CE2 PHE A 28 0.903 -9.286 2.009 1.00 0.00 C ATOM 422 CZ PHE A 28 -0.157 -9.719 2.781 1.00 0.00 C ATOM 0 H PHE A 28 1.914 -7.923 6.232 1.00 0.00 H new ATOM 0 HA PHE A 28 4.251 -7.321 4.569 1.00 0.00 H new ATOM 0 HB2 PHE A 28 1.684 -5.745 4.620 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.784 -6.022 3.284 1.00 0.00 H new ATOM 0 HD1 PHE A 28 0.172 -7.602 5.380 1.00 0.00 H new ATOM 0 HD2 PHE A 28 2.523 -7.908 1.842 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.245 -9.451 4.600 1.00 0.00 H new ATOM 0 HE2 PHE A 28 1.111 -9.760 1.061 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.781 -10.530 2.437 1.00 0.00 H new ATOM 432 N SER A 29 3.552 -5.764 7.246 1.00 0.00 N ATOM 433 CA SER A 29 3.933 -4.680 8.145 1.00 0.00 C ATOM 434 C SER A 29 5.443 -4.459 8.120 1.00 0.00 C ATOM 435 O SER A 29 5.939 -3.440 8.600 1.00 0.00 O ATOM 436 CB SER A 29 3.476 -4.990 9.573 1.00 0.00 C ATOM 437 OG SER A 29 3.200 -3.798 10.289 1.00 0.00 O ATOM 0 H SER A 29 3.037 -6.522 7.693 1.00 0.00 H new ATOM 0 HA SER A 29 3.444 -3.768 7.803 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.584 -5.616 9.545 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.249 -5.558 10.090 1.00 0.00 H new ATOM 0 HG SER A 29 2.909 -4.022 11.197 1.00 0.00 H new ATOM 443 N GLU A 30 6.166 -5.420 7.554 1.00 0.00 N ATOM 444 CA GLU A 30 7.619 -5.330 7.466 1.00 0.00 C ATOM 445 C GLU A 30 8.118 -5.880 6.133 1.00 0.00 C ATOM 446 O GLU A 30 7.495 -6.745 5.517 1.00 0.00 O ATOM 447 CB GLU A 30 8.270 -6.093 8.622 1.00 0.00 C ATOM 448 CG GLU A 30 7.652 -5.790 9.975 1.00 0.00 C ATOM 449 CD GLU A 30 8.556 -6.179 11.129 1.00 0.00 C ATOM 450 OE1 GLU A 30 8.852 -7.385 11.270 1.00 0.00 O ATOM 451 OE2 GLU A 30 8.966 -5.280 11.892 1.00 0.00 O ATOM 0 H GLU A 30 5.770 -6.269 7.150 1.00 0.00 H new ATOM 0 HA GLU A 30 7.898 -4.278 7.532 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.194 -7.163 8.429 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.332 -5.850 8.654 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.427 -4.725 10.037 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.705 -6.322 10.065 1.00 0.00 H new ATOM 458 N PRO A 31 9.270 -5.366 5.675 1.00 0.00 N ATOM 459 CA PRO A 31 9.878 -5.791 4.411 1.00 0.00 C ATOM 460 C PRO A 31 10.427 -7.213 4.480 1.00 0.00 C ATOM 461 O PRO A 31 11.056 -7.599 5.465 1.00 0.00 O ATOM 462 CB PRO A 31 11.017 -4.788 4.212 1.00 0.00 C ATOM 463 CG PRO A 31 11.356 -4.322 5.586 1.00 0.00 C ATOM 464 CD PRO A 31 10.066 -4.333 6.357 1.00 0.00 C ATOM 0 HA PRO A 31 9.155 -5.805 3.595 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.876 -5.255 3.729 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.707 -3.958 3.578 1.00 0.00 H new ATOM 0 HG2 PRO A 31 12.093 -4.978 6.050 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.788 -3.322 5.563 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.227 -4.578 7.407 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.573 -3.362 6.329 1.00 0.00 H new ATOM 472 N VAL A 32 10.183 -7.987 3.428 1.00 0.00 N ATOM 473 CA VAL A 32 10.653 -9.366 3.369 1.00 0.00 C ATOM 474 C VAL A 32 12.176 -9.428 3.381 1.00 0.00 C ATOM 475 O VAL A 32 12.854 -8.833 2.542 1.00 0.00 O ATOM 476 CB VAL A 32 10.132 -10.083 2.109 1.00 0.00 C ATOM 477 CG1 VAL A 32 10.646 -11.514 2.058 1.00 0.00 C ATOM 478 CG2 VAL A 32 8.612 -10.052 2.069 1.00 0.00 C ATOM 0 H VAL A 32 9.663 -7.683 2.605 1.00 0.00 H new ATOM 0 HA VAL A 32 10.264 -9.871 4.253 1.00 0.00 H new ATOM 0 HB VAL A 32 10.506 -9.556 1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.268 -12.005 1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 32 11.736 -11.509 2.036 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.303 -12.055 2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.261 -10.563 1.172 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.215 -10.553 2.951 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.269 -9.017 2.055 1.00 0.00 H new ATOM 488 N PRO A 33 12.730 -10.166 4.354 1.00 0.00 N ATOM 489 CA PRO A 33 14.181 -10.324 4.499 1.00 0.00 C ATOM 490 C PRO A 33 14.787 -11.166 3.383 1.00 0.00 C ATOM 491 O PRO A 33 14.239 -12.205 3.007 1.00 0.00 O ATOM 492 CB PRO A 33 14.327 -11.038 5.846 1.00 0.00 C ATOM 493 CG PRO A 33 13.037 -11.760 6.033 1.00 0.00 C ATOM 494 CD PRO A 33 11.984 -10.902 5.389 1.00 0.00 C ATOM 0 HA PRO A 33 14.702 -9.368 4.448 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.170 -11.729 5.839 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.504 -10.328 6.654 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.072 -12.747 5.572 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.824 -11.910 7.091 1.00 0.00 H new ATOM 0 HD2 PRO A 33 11.184 -11.504 4.957 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.521 -10.226 6.108 1.00 0.00 H new ATOM 502 N LEU A 34 15.918 -10.714 2.854 1.00 0.00 N ATOM 503 CA LEU A 34 16.599 -11.427 1.779 1.00 0.00 C ATOM 504 C LEU A 34 17.269 -12.693 2.304 1.00 0.00 C ATOM 505 O LEU A 34 17.435 -13.669 1.572 1.00 0.00 O ATOM 506 CB LEU A 34 17.641 -10.521 1.119 1.00 0.00 C ATOM 507 CG LEU A 34 17.093 -9.323 0.344 1.00 0.00 C ATOM 508 CD1 LEU A 34 18.214 -8.608 -0.395 1.00 0.00 C ATOM 509 CD2 LEU A 34 16.009 -9.767 -0.628 1.00 0.00 C ATOM 0 H LEU A 34 16.383 -9.857 3.152 1.00 0.00 H new ATOM 0 HA LEU A 34 15.853 -11.713 1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.314 -10.151 1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.240 -11.126 0.438 1.00 0.00 H new ATOM 0 HG LEU A 34 16.651 -8.625 1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 34 17.805 -7.758 -0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.956 -8.256 0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.685 -9.297 -1.096 1.00 0.00 H new ATOM 0 HD21 LEU A 34 15.630 -8.901 -1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 34 16.426 -10.485 -1.335 1.00 0.00 H new ATOM 0 HD23 LEU A 34 15.194 -10.234 -0.075 1.00 0.00 H new ATOM 521 N SER A 35 17.651 -12.670 3.576 1.00 0.00 N ATOM 522 CA SER A 35 18.304 -13.816 4.200 1.00 0.00 C ATOM 523 C SER A 35 17.577 -15.111 3.851 1.00 0.00 C ATOM 524 O SER A 35 18.205 -16.124 3.546 1.00 0.00 O ATOM 525 CB SER A 35 18.353 -13.638 5.718 1.00 0.00 C ATOM 526 OG SER A 35 19.133 -14.654 6.325 1.00 0.00 O ATOM 0 H SER A 35 17.520 -11.871 4.196 1.00 0.00 H new ATOM 0 HA SER A 35 19.322 -13.876 3.816 1.00 0.00 H new ATOM 0 HB2 SER A 35 18.771 -12.661 5.960 1.00 0.00 H new ATOM 0 HB3 SER A 35 17.341 -13.661 6.123 1.00 0.00 H new ATOM 0 HG SER A 35 19.150 -14.517 7.295 1.00 0.00 H new ATOM 532 N GLU A 36 16.249 -15.069 3.900 1.00 0.00 N ATOM 533 CA GLU A 36 15.436 -16.239 3.590 1.00 0.00 C ATOM 534 C GLU A 36 15.087 -16.282 2.106 1.00 0.00 C ATOM 535 O GLU A 36 14.945 -17.355 1.520 1.00 0.00 O ATOM 536 CB GLU A 36 14.156 -16.235 4.428 1.00 0.00 C ATOM 537 CG GLU A 36 13.408 -17.558 4.404 1.00 0.00 C ATOM 538 CD GLU A 36 12.635 -17.814 5.683 1.00 0.00 C ATOM 539 OE1 GLU A 36 13.276 -17.933 6.748 1.00 0.00 O ATOM 540 OE2 GLU A 36 11.391 -17.894 5.619 1.00 0.00 O ATOM 0 H GLU A 36 15.714 -14.238 4.151 1.00 0.00 H new ATOM 0 HA GLU A 36 16.017 -17.128 3.833 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.408 -15.988 5.459 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.496 -15.448 4.064 1.00 0.00 H new ATOM 0 HG2 GLU A 36 12.719 -17.566 3.560 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.118 -18.370 4.244 1.00 0.00 H new ATOM 547 N VAL A 37 14.948 -15.106 1.503 1.00 0.00 N ATOM 548 CA VAL A 37 14.615 -15.007 0.086 1.00 0.00 C ATOM 549 C VAL A 37 15.756 -14.375 -0.703 1.00 0.00 C ATOM 550 O VAL A 37 15.791 -13.167 -0.932 1.00 0.00 O ATOM 551 CB VAL A 37 13.334 -14.180 -0.132 1.00 0.00 C ATOM 552 CG1 VAL A 37 12.729 -14.485 -1.494 1.00 0.00 C ATOM 553 CG2 VAL A 37 12.330 -14.448 0.979 1.00 0.00 C ATOM 0 H VAL A 37 15.061 -14.208 1.973 1.00 0.00 H new ATOM 0 HA VAL A 37 14.448 -16.023 -0.273 1.00 0.00 H new ATOM 0 HB VAL A 37 13.596 -13.122 -0.105 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.825 -13.892 -1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.448 -14.237 -2.275 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.481 -15.545 -1.553 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.431 -13.855 0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.070 -15.507 0.987 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.768 -14.175 1.939 1.00 0.00 H new ATOM 563 N PRO A 38 16.712 -15.212 -1.133 1.00 0.00 N ATOM 564 CA PRO A 38 17.873 -14.758 -1.906 1.00 0.00 C ATOM 565 C PRO A 38 17.494 -14.313 -3.313 1.00 0.00 C ATOM 566 O PRO A 38 18.237 -13.579 -3.964 1.00 0.00 O ATOM 567 CB PRO A 38 18.770 -15.998 -1.960 1.00 0.00 C ATOM 568 CG PRO A 38 17.836 -17.148 -1.801 1.00 0.00 C ATOM 569 CD PRO A 38 16.734 -16.665 -0.897 1.00 0.00 C ATOM 0 HA PRO A 38 18.350 -13.889 -1.453 1.00 0.00 H new ATOM 0 HB2 PRO A 38 19.311 -16.055 -2.905 1.00 0.00 H new ATOM 0 HB3 PRO A 38 19.517 -15.982 -1.166 1.00 0.00 H new ATOM 0 HG2 PRO A 38 17.439 -17.464 -2.766 1.00 0.00 H new ATOM 0 HG3 PRO A 38 18.347 -18.008 -1.369 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.779 -17.127 -1.146 1.00 0.00 H new ATOM 0 HD3 PRO A 38 16.939 -16.899 0.148 1.00 0.00 H new ATOM 577 N ASP A 39 16.332 -14.761 -3.777 1.00 0.00 N ATOM 578 CA ASP A 39 15.853 -14.408 -5.108 1.00 0.00 C ATOM 579 C ASP A 39 14.568 -13.589 -5.025 1.00 0.00 C ATOM 580 O ASP A 39 13.699 -13.689 -5.891 1.00 0.00 O ATOM 581 CB ASP A 39 15.615 -15.669 -5.941 1.00 0.00 C ATOM 582 CG ASP A 39 14.747 -16.682 -5.221 1.00 0.00 C ATOM 583 OD1 ASP A 39 15.240 -17.312 -4.263 1.00 0.00 O ATOM 584 OD2 ASP A 39 13.573 -16.844 -5.616 1.00 0.00 O ATOM 0 H ASP A 39 15.705 -15.369 -3.251 1.00 0.00 H new ATOM 0 HA ASP A 39 16.619 -13.802 -5.592 1.00 0.00 H new ATOM 0 HB2 ASP A 39 15.142 -15.394 -6.884 1.00 0.00 H new ATOM 0 HB3 ASP A 39 16.574 -16.125 -6.186 1.00 0.00 H new ATOM 589 N TYR A 40 14.455 -12.783 -3.975 1.00 0.00 N ATOM 590 CA TYR A 40 13.275 -11.950 -3.776 1.00 0.00 C ATOM 591 C TYR A 40 13.087 -10.982 -4.941 1.00 0.00 C ATOM 592 O TYR A 40 12.060 -11.002 -5.621 1.00 0.00 O ATOM 593 CB TYR A 40 13.391 -11.170 -2.465 1.00 0.00 C ATOM 594 CG TYR A 40 12.195 -10.292 -2.175 1.00 0.00 C ATOM 595 CD1 TYR A 40 10.902 -10.791 -2.267 1.00 0.00 C ATOM 596 CD2 TYR A 40 12.358 -8.961 -1.809 1.00 0.00 C ATOM 597 CE1 TYR A 40 9.807 -9.991 -2.004 1.00 0.00 C ATOM 598 CE2 TYR A 40 11.269 -8.155 -1.543 1.00 0.00 C ATOM 599 CZ TYR A 40 9.995 -8.675 -1.642 1.00 0.00 C ATOM 600 OH TYR A 40 8.907 -7.875 -1.378 1.00 0.00 O ATOM 0 H TYR A 40 15.166 -12.689 -3.249 1.00 0.00 H new ATOM 0 HA TYR A 40 12.405 -12.604 -3.727 1.00 0.00 H new ATOM 0 HB2 TYR A 40 13.522 -11.874 -1.643 1.00 0.00 H new ATOM 0 HB3 TYR A 40 14.287 -10.550 -2.499 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.750 -11.822 -2.549 1.00 0.00 H new ATOM 0 HD2 TYR A 40 13.354 -8.550 -1.731 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.808 -10.395 -2.082 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.414 -7.123 -1.259 1.00 0.00 H new ATOM 0 HH TYR A 40 9.213 -6.976 -1.136 1.00 0.00 H new ATOM 610 N LEU A 41 14.087 -10.138 -5.166 1.00 0.00 N ATOM 611 CA LEU A 41 14.034 -9.162 -6.250 1.00 0.00 C ATOM 612 C LEU A 41 14.012 -9.856 -7.607 1.00 0.00 C ATOM 613 O LEU A 41 13.409 -9.360 -8.559 1.00 0.00 O ATOM 614 CB LEU A 41 15.234 -8.215 -6.169 1.00 0.00 C ATOM 615 CG LEU A 41 15.507 -7.595 -4.797 1.00 0.00 C ATOM 616 CD1 LEU A 41 16.844 -6.869 -4.797 1.00 0.00 C ATOM 617 CD2 LEU A 41 14.383 -6.645 -4.409 1.00 0.00 C ATOM 0 H LEU A 41 14.944 -10.109 -4.613 1.00 0.00 H new ATOM 0 HA LEU A 41 13.115 -8.586 -6.142 1.00 0.00 H new ATOM 0 HB2 LEU A 41 16.124 -8.760 -6.483 1.00 0.00 H new ATOM 0 HB3 LEU A 41 15.085 -7.409 -6.887 1.00 0.00 H new ATOM 0 HG LEU A 41 15.551 -8.396 -4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 41 17.022 -6.434 -3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 41 17.641 -7.575 -5.031 1.00 0.00 H new ATOM 0 HD13 LEU A 41 16.828 -6.077 -5.546 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.593 -6.213 -3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 41 14.308 -5.848 -5.149 1.00 0.00 H new ATOM 0 HD23 LEU A 41 13.441 -7.193 -4.369 1.00 0.00 H new ATOM 629 N ASP A 42 14.670 -11.007 -7.688 1.00 0.00 N ATOM 630 CA ASP A 42 14.723 -11.772 -8.928 1.00 0.00 C ATOM 631 C ASP A 42 13.341 -11.868 -9.567 1.00 0.00 C ATOM 632 O ASP A 42 13.201 -11.787 -10.787 1.00 0.00 O ATOM 633 CB ASP A 42 15.275 -13.174 -8.665 1.00 0.00 C ATOM 634 CG ASP A 42 16.763 -13.165 -8.377 1.00 0.00 C ATOM 635 OD1 ASP A 42 17.265 -12.135 -7.879 1.00 0.00 O ATOM 636 OD2 ASP A 42 17.426 -14.188 -8.647 1.00 0.00 O ATOM 0 H ASP A 42 15.174 -11.431 -6.909 1.00 0.00 H new ATOM 0 HA ASP A 42 15.388 -11.252 -9.618 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.747 -13.617 -7.820 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.079 -13.807 -9.531 1.00 0.00 H new ATOM 641 N HIS A 43 12.319 -12.043 -8.733 1.00 0.00 N ATOM 642 CA HIS A 43 10.948 -12.151 -9.216 1.00 0.00 C ATOM 643 C HIS A 43 10.210 -10.826 -9.055 1.00 0.00 C ATOM 644 O HIS A 43 9.334 -10.490 -9.854 1.00 0.00 O ATOM 645 CB HIS A 43 10.205 -13.256 -8.464 1.00 0.00 C ATOM 646 CG HIS A 43 10.740 -14.629 -8.736 1.00 0.00 C ATOM 647 ND1 HIS A 43 9.994 -15.622 -9.335 1.00 0.00 N ATOM 648 CD2 HIS A 43 11.955 -15.171 -8.489 1.00 0.00 C ATOM 649 CE1 HIS A 43 10.727 -16.716 -9.443 1.00 0.00 C ATOM 650 NE2 HIS A 43 11.922 -16.468 -8.936 1.00 0.00 N ATOM 0 H HIS A 43 12.416 -12.113 -7.720 1.00 0.00 H new ATOM 0 HA HIS A 43 10.981 -12.402 -10.276 1.00 0.00 H new ATOM 0 HB2 HIS A 43 10.262 -13.058 -7.394 1.00 0.00 H new ATOM 0 HB3 HIS A 43 9.150 -13.225 -8.738 1.00 0.00 H new ATOM 0 HD2 HIS A 43 12.795 -14.675 -8.026 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.405 -17.653 -9.872 1.00 0.00 H new ATOM 0 HE2 HIS A 43 12.694 -17.133 -8.885 1.00 0.00 H new ATOM 659 N ILE A 44 10.567 -10.077 -8.017 1.00 0.00 N ATOM 660 CA ILE A 44 9.939 -8.789 -7.753 1.00 0.00 C ATOM 661 C ILE A 44 10.831 -7.639 -8.205 1.00 0.00 C ATOM 662 O ILE A 44 11.957 -7.487 -7.730 1.00 0.00 O ATOM 663 CB ILE A 44 9.616 -8.616 -6.256 1.00 0.00 C ATOM 664 CG1 ILE A 44 8.615 -9.680 -5.802 1.00 0.00 C ATOM 665 CG2 ILE A 44 9.073 -7.220 -5.989 1.00 0.00 C ATOM 666 CD1 ILE A 44 7.482 -9.901 -6.780 1.00 0.00 C ATOM 0 H ILE A 44 11.288 -10.340 -7.345 1.00 0.00 H new ATOM 0 HA ILE A 44 9.009 -8.769 -8.322 1.00 0.00 H new ATOM 0 HB ILE A 44 10.535 -8.742 -5.684 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.142 -10.622 -5.650 1.00 0.00 H new ATOM 0 HG13 ILE A 44 8.200 -9.388 -4.837 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.850 -7.113 -4.927 1.00 0.00 H new ATOM 0 HG22 ILE A 44 9.817 -6.478 -6.280 1.00 0.00 H new ATOM 0 HG23 ILE A 44 8.163 -7.067 -6.568 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.812 -10.668 -6.393 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.930 -8.971 -6.914 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.887 -10.223 -7.739 1.00 0.00 H new ATOM 678 N LYS A 45 10.321 -6.827 -9.126 1.00 0.00 N ATOM 679 CA LYS A 45 11.069 -5.687 -9.642 1.00 0.00 C ATOM 680 C LYS A 45 10.989 -4.505 -8.681 1.00 0.00 C ATOM 681 O LYS A 45 11.980 -3.812 -8.449 1.00 0.00 O ATOM 682 CB LYS A 45 10.533 -5.278 -11.015 1.00 0.00 C ATOM 683 CG LYS A 45 10.964 -6.209 -12.137 1.00 0.00 C ATOM 684 CD LYS A 45 10.034 -7.404 -12.258 1.00 0.00 C ATOM 685 CE LYS A 45 8.846 -7.098 -13.157 1.00 0.00 C ATOM 686 NZ LYS A 45 9.183 -7.264 -14.598 1.00 0.00 N ATOM 0 H LYS A 45 9.391 -6.938 -9.530 1.00 0.00 H new ATOM 0 HA LYS A 45 12.113 -5.984 -9.740 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.444 -5.248 -10.977 1.00 0.00 H new ATOM 0 HB3 LYS A 45 10.872 -4.267 -11.242 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.979 -5.662 -13.080 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.981 -6.555 -11.953 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.584 -8.255 -12.658 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.678 -7.691 -11.268 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.017 -7.757 -12.900 1.00 0.00 H new ATOM 0 HE3 LYS A 45 8.509 -6.077 -12.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.347 -7.046 -15.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.957 -6.617 -14.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.480 -8.245 -14.774 1.00 0.00 H new ATOM 700 N LYS A 46 9.805 -4.280 -8.124 1.00 0.00 N ATOM 701 CA LYS A 46 9.595 -3.182 -7.187 1.00 0.00 C ATOM 702 C LYS A 46 8.932 -3.680 -5.906 1.00 0.00 C ATOM 703 O LYS A 46 7.709 -3.652 -5.761 1.00 0.00 O ATOM 704 CB LYS A 46 8.734 -2.092 -7.829 1.00 0.00 C ATOM 705 CG LYS A 46 8.521 -0.881 -6.938 1.00 0.00 C ATOM 706 CD LYS A 46 7.772 0.222 -7.665 1.00 0.00 C ATOM 707 CE LYS A 46 7.090 1.170 -6.691 1.00 0.00 C ATOM 708 NZ LYS A 46 8.000 2.266 -6.255 1.00 0.00 N ATOM 0 H LYS A 46 8.974 -4.844 -8.305 1.00 0.00 H new ATOM 0 HA LYS A 46 10.569 -2.763 -6.933 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.204 -1.770 -8.759 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.764 -2.515 -8.091 1.00 0.00 H new ATOM 0 HG2 LYS A 46 7.963 -1.176 -6.049 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.486 -0.504 -6.598 1.00 0.00 H new ATOM 0 HD2 LYS A 46 8.466 0.781 -8.293 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.027 -0.219 -8.327 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.205 1.598 -7.161 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.750 0.612 -5.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.498 2.891 -5.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.833 1.859 -5.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 8.305 2.815 -7.084 1.00 0.00 H new ATOM 722 N PRO A 47 9.756 -4.145 -4.955 1.00 0.00 N ATOM 723 CA PRO A 47 9.271 -4.656 -3.669 1.00 0.00 C ATOM 724 C PRO A 47 8.709 -3.551 -2.781 1.00 0.00 C ATOM 725 O PRO A 47 9.453 -2.711 -2.275 1.00 0.00 O ATOM 726 CB PRO A 47 10.523 -5.267 -3.036 1.00 0.00 C ATOM 727 CG PRO A 47 11.659 -4.534 -3.660 1.00 0.00 C ATOM 728 CD PRO A 47 11.223 -4.208 -5.062 1.00 0.00 C ATOM 0 HA PRO A 47 8.451 -5.364 -3.794 1.00 0.00 H new ATOM 0 HB2 PRO A 47 10.519 -5.144 -1.953 1.00 0.00 H new ATOM 0 HB3 PRO A 47 10.585 -6.337 -3.235 1.00 0.00 H new ATOM 0 HG2 PRO A 47 11.891 -3.626 -3.103 1.00 0.00 H new ATOM 0 HG3 PRO A 47 12.562 -5.145 -3.664 1.00 0.00 H new ATOM 0 HD2 PRO A 47 11.642 -3.262 -5.404 1.00 0.00 H new ATOM 0 HD3 PRO A 47 11.542 -4.972 -5.770 1.00 0.00 H new ATOM 736 N MET A 48 7.393 -3.559 -2.595 1.00 0.00 N ATOM 737 CA MET A 48 6.734 -2.557 -1.765 1.00 0.00 C ATOM 738 C MET A 48 6.142 -3.193 -0.512 1.00 0.00 C ATOM 739 O MET A 48 5.844 -4.387 -0.492 1.00 0.00 O ATOM 740 CB MET A 48 5.635 -1.849 -2.560 1.00 0.00 C ATOM 741 CG MET A 48 5.068 -0.626 -1.857 1.00 0.00 C ATOM 742 SD MET A 48 6.346 0.542 -1.356 1.00 0.00 S ATOM 743 CE MET A 48 6.896 1.146 -2.951 1.00 0.00 C ATOM 0 H MET A 48 6.763 -4.247 -3.007 1.00 0.00 H new ATOM 0 HA MET A 48 7.482 -1.825 -1.460 1.00 0.00 H new ATOM 0 HB2 MET A 48 6.035 -1.548 -3.528 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.827 -2.554 -2.754 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.363 -0.125 -2.520 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.507 -0.944 -0.978 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.571 1.990 -2.808 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.418 0.350 -3.481 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.034 1.466 -3.536 1.00 0.00 H new ATOM 753 N ASP A 49 5.974 -2.389 0.532 1.00 0.00 N ATOM 754 CA ASP A 49 5.416 -2.874 1.789 1.00 0.00 C ATOM 755 C ASP A 49 4.878 -1.718 2.626 1.00 0.00 C ATOM 756 O ASP A 49 4.996 -0.554 2.245 1.00 0.00 O ATOM 757 CB ASP A 49 6.478 -3.641 2.580 1.00 0.00 C ATOM 758 CG ASP A 49 7.863 -3.048 2.416 1.00 0.00 C ATOM 759 OD1 ASP A 49 8.447 -3.197 1.322 1.00 0.00 O ATOM 760 OD2 ASP A 49 8.365 -2.435 3.382 1.00 0.00 O ATOM 0 H ASP A 49 6.216 -1.398 0.533 1.00 0.00 H new ATOM 0 HA ASP A 49 4.590 -3.546 1.557 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.209 -3.642 3.636 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.490 -4.681 2.253 1.00 0.00 H new ATOM 765 N PHE A 50 4.284 -2.048 3.769 1.00 0.00 N ATOM 766 CA PHE A 50 3.724 -1.038 4.659 1.00 0.00 C ATOM 767 C PHE A 50 4.820 -0.125 5.201 1.00 0.00 C ATOM 768 O PHE A 50 4.631 1.086 5.321 1.00 0.00 O ATOM 769 CB PHE A 50 2.980 -1.705 5.818 1.00 0.00 C ATOM 770 CG PHE A 50 1.592 -2.152 5.461 1.00 0.00 C ATOM 771 CD1 PHE A 50 0.710 -1.285 4.836 1.00 0.00 C ATOM 772 CD2 PHE A 50 1.168 -3.439 5.751 1.00 0.00 C ATOM 773 CE1 PHE A 50 -0.569 -1.693 4.506 1.00 0.00 C ATOM 774 CE2 PHE A 50 -0.109 -3.853 5.422 1.00 0.00 C ATOM 775 CZ PHE A 50 -0.979 -2.978 4.800 1.00 0.00 C ATOM 0 H PHE A 50 4.178 -3.007 4.100 1.00 0.00 H new ATOM 0 HA PHE A 50 3.021 -0.433 4.086 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.554 -2.566 6.160 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.925 -1.007 6.653 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.026 -0.279 4.604 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.843 -4.126 6.240 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.246 -1.007 4.019 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.427 -4.860 5.651 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.978 -3.299 4.544 1.00 0.00 H new ATOM 785 N PHE A 51 5.965 -0.713 5.528 1.00 0.00 N ATOM 786 CA PHE A 51 7.091 0.046 6.060 1.00 0.00 C ATOM 787 C PHE A 51 7.745 0.885 4.966 1.00 0.00 C ATOM 788 O PHE A 51 7.945 2.090 5.126 1.00 0.00 O ATOM 789 CB PHE A 51 8.122 -0.897 6.681 1.00 0.00 C ATOM 790 CG PHE A 51 9.520 -0.348 6.671 1.00 0.00 C ATOM 791 CD1 PHE A 51 9.882 0.676 7.532 1.00 0.00 C ATOM 792 CD2 PHE A 51 10.471 -0.855 5.801 1.00 0.00 C ATOM 793 CE1 PHE A 51 11.168 1.183 7.526 1.00 0.00 C ATOM 794 CE2 PHE A 51 11.758 -0.351 5.790 1.00 0.00 C ATOM 795 CZ PHE A 51 12.107 0.669 6.653 1.00 0.00 C ATOM 0 H PHE A 51 6.138 -1.714 5.434 1.00 0.00 H new ATOM 0 HA PHE A 51 6.713 0.717 6.832 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.832 -1.112 7.709 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.108 -1.844 6.141 1.00 0.00 H new ATOM 0 HD1 PHE A 51 9.151 1.082 8.215 1.00 0.00 H new ATOM 0 HD2 PHE A 51 10.204 -1.653 5.124 1.00 0.00 H new ATOM 0 HE1 PHE A 51 11.438 1.980 8.203 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.490 -0.755 5.107 1.00 0.00 H new ATOM 0 HZ PHE A 51 13.112 1.064 6.645 1.00 0.00 H new ATOM 805 N THR A 52 8.079 0.239 3.853 1.00 0.00 N ATOM 806 CA THR A 52 8.713 0.922 2.733 1.00 0.00 C ATOM 807 C THR A 52 7.861 2.090 2.248 1.00 0.00 C ATOM 808 O THR A 52 8.317 3.232 2.216 1.00 0.00 O ATOM 809 CB THR A 52 8.964 -0.039 1.556 1.00 0.00 C ATOM 810 OG1 THR A 52 9.900 -1.051 1.943 1.00 0.00 O ATOM 811 CG2 THR A 52 9.493 0.713 0.345 1.00 0.00 C ATOM 0 H THR A 52 7.921 -0.757 3.704 1.00 0.00 H new ATOM 0 HA THR A 52 9.670 1.298 3.094 1.00 0.00 H new ATOM 0 HB THR A 52 8.016 -0.505 1.287 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.603 -1.469 2.778 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.662 0.013 -0.473 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.765 1.463 0.036 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.432 1.204 0.603 1.00 0.00 H new ATOM 819 N MET A 53 6.620 1.794 1.872 1.00 0.00 N ATOM 820 CA MET A 53 5.704 2.821 1.390 1.00 0.00 C ATOM 821 C MET A 53 5.694 4.024 2.327 1.00 0.00 C ATOM 822 O MET A 53 5.713 5.172 1.881 1.00 0.00 O ATOM 823 CB MET A 53 4.291 2.251 1.257 1.00 0.00 C ATOM 824 CG MET A 53 3.615 1.985 2.593 1.00 0.00 C ATOM 825 SD MET A 53 1.972 1.265 2.409 1.00 0.00 S ATOM 826 CE MET A 53 1.217 2.430 1.279 1.00 0.00 C ATOM 0 H MET A 53 6.227 0.853 1.892 1.00 0.00 H new ATOM 0 HA MET A 53 6.049 3.150 0.410 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.680 2.947 0.682 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.335 1.321 0.690 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.238 1.313 3.183 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.538 2.919 3.149 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.132 2.344 1.339 1.00 0.00 H new ATOM 0 HE2 MET A 53 1.516 3.443 1.548 1.00 0.00 H new ATOM 0 HE3 MET A 53 1.543 2.213 0.262 1.00 0.00 H new ATOM 836 N LYS A 54 5.663 3.756 3.628 1.00 0.00 N ATOM 837 CA LYS A 54 5.652 4.815 4.629 1.00 0.00 C ATOM 838 C LYS A 54 6.844 5.750 4.445 1.00 0.00 C ATOM 839 O LYS A 54 6.675 6.948 4.221 1.00 0.00 O ATOM 840 CB LYS A 54 5.672 4.216 6.037 1.00 0.00 C ATOM 841 CG LYS A 54 5.237 5.189 7.119 1.00 0.00 C ATOM 842 CD LYS A 54 6.133 6.417 7.157 1.00 0.00 C ATOM 843 CE LYS A 54 6.221 6.999 8.560 1.00 0.00 C ATOM 844 NZ LYS A 54 5.113 7.956 8.832 1.00 0.00 N ATOM 0 H LYS A 54 5.645 2.812 4.014 1.00 0.00 H new ATOM 0 HA LYS A 54 4.736 5.392 4.500 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.019 3.344 6.061 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.680 3.866 6.259 1.00 0.00 H new ATOM 0 HG2 LYS A 54 4.206 5.495 6.942 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.259 4.691 8.088 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.131 6.151 6.809 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.747 7.172 6.472 1.00 0.00 H new ATOM 0 HE2 LYS A 54 6.191 6.191 9.291 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.178 7.506 8.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.472 8.752 9.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.734 8.314 7.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.357 7.472 9.357 1.00 0.00 H new ATOM 858 N GLN A 55 8.046 5.193 4.543 1.00 0.00 N ATOM 859 CA GLN A 55 9.266 5.978 4.387 1.00 0.00 C ATOM 860 C GLN A 55 9.123 6.987 3.252 1.00 0.00 C ATOM 861 O GLN A 55 9.497 8.150 3.392 1.00 0.00 O ATOM 862 CB GLN A 55 10.459 5.058 4.120 1.00 0.00 C ATOM 863 CG GLN A 55 10.703 4.043 5.224 1.00 0.00 C ATOM 864 CD GLN A 55 11.530 4.605 6.362 1.00 0.00 C ATOM 865 OE1 GLN A 55 12.672 5.022 6.167 1.00 0.00 O ATOM 866 NE2 GLN A 55 10.958 4.621 7.560 1.00 0.00 N ATOM 0 H GLN A 55 8.202 4.202 4.729 1.00 0.00 H new ATOM 0 HA GLN A 55 9.438 6.524 5.315 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.296 4.529 3.181 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.355 5.666 3.992 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.745 3.697 5.613 1.00 0.00 H new ATOM 0 HG3 GLN A 55 11.210 3.173 4.807 1.00 0.00 H new ATOM 0 HE21 GLN A 55 10.009 4.265 7.677 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.467 4.989 8.363 1.00 0.00 H new ATOM 875 N ASN A 56 8.577 6.532 2.128 1.00 0.00 N ATOM 876 CA ASN A 56 8.386 7.395 0.968 1.00 0.00 C ATOM 877 C ASN A 56 7.306 8.439 1.240 1.00 0.00 C ATOM 878 O ASN A 56 7.440 9.602 0.854 1.00 0.00 O ATOM 879 CB ASN A 56 8.007 6.561 -0.258 1.00 0.00 C ATOM 880 CG ASN A 56 9.055 5.517 -0.592 1.00 0.00 C ATOM 881 OD1 ASN A 56 10.240 5.827 -0.711 1.00 0.00 O ATOM 882 ND2 ASN A 56 8.621 4.272 -0.746 1.00 0.00 N ATOM 0 H ASN A 56 8.260 5.572 1.996 1.00 0.00 H new ATOM 0 HA ASN A 56 9.326 7.911 0.771 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.051 6.068 -0.078 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.869 7.221 -1.115 1.00 0.00 H new ATOM 0 HD21 ASN A 56 9.280 3.527 -0.972 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.629 4.061 -0.638 1.00 0.00 H new ATOM 889 N LEU A 57 6.236 8.017 1.904 1.00 0.00 N ATOM 890 CA LEU A 57 5.133 8.914 2.228 1.00 0.00 C ATOM 891 C LEU A 57 5.602 10.048 3.136 1.00 0.00 C ATOM 892 O LEU A 57 5.368 11.221 2.849 1.00 0.00 O ATOM 893 CB LEU A 57 4.001 8.140 2.904 1.00 0.00 C ATOM 894 CG LEU A 57 2.937 8.983 3.607 1.00 0.00 C ATOM 895 CD1 LEU A 57 1.614 8.234 3.666 1.00 0.00 C ATOM 896 CD2 LEU A 57 3.398 9.366 5.006 1.00 0.00 C ATOM 0 H LEU A 57 6.109 7.058 2.229 1.00 0.00 H new ATOM 0 HA LEU A 57 4.764 9.346 1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.509 7.524 2.151 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.439 7.460 3.635 1.00 0.00 H new ATOM 0 HG LEU A 57 2.788 9.897 3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.869 8.850 4.170 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.276 8.012 2.654 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.747 7.303 4.217 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.628 9.966 5.491 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.577 8.463 5.590 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.320 9.944 4.940 1.00 0.00 H new ATOM 908 N GLU A 58 6.265 9.687 4.229 1.00 0.00 N ATOM 909 CA GLU A 58 6.768 10.674 5.178 1.00 0.00 C ATOM 910 C GLU A 58 7.881 11.512 4.552 1.00 0.00 C ATOM 911 O GLU A 58 8.200 12.598 5.034 1.00 0.00 O ATOM 912 CB GLU A 58 7.284 9.984 6.441 1.00 0.00 C ATOM 913 CG GLU A 58 8.272 8.863 6.164 1.00 0.00 C ATOM 914 CD GLU A 58 9.264 8.666 7.294 1.00 0.00 C ATOM 915 OE1 GLU A 58 8.880 8.881 8.463 1.00 0.00 O ATOM 916 OE2 GLU A 58 10.422 8.298 7.010 1.00 0.00 O ATOM 0 H GLU A 58 6.467 8.719 4.480 1.00 0.00 H new ATOM 0 HA GLU A 58 5.944 11.336 5.446 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.760 10.726 7.081 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.437 9.581 6.996 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.725 7.934 6.000 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.814 9.081 5.244 1.00 0.00 H new ATOM 923 N ALA A 59 8.467 10.997 3.477 1.00 0.00 N ATOM 924 CA ALA A 59 9.542 11.697 2.784 1.00 0.00 C ATOM 925 C ALA A 59 8.988 12.649 1.730 1.00 0.00 C ATOM 926 O ALA A 59 9.740 13.225 0.943 1.00 0.00 O ATOM 927 CB ALA A 59 10.497 10.698 2.147 1.00 0.00 C ATOM 0 H ALA A 59 8.216 10.098 3.067 1.00 0.00 H new ATOM 0 HA ALA A 59 10.089 12.289 3.518 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.295 11.234 1.633 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.927 10.062 2.920 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.954 10.081 1.431 1.00 0.00 H new ATOM 933 N TYR A 60 7.670 12.809 1.719 1.00 0.00 N ATOM 934 CA TYR A 60 7.015 13.691 0.759 1.00 0.00 C ATOM 935 C TYR A 60 7.248 13.208 -0.669 1.00 0.00 C ATOM 936 O TYR A 60 7.583 13.995 -1.555 1.00 0.00 O ATOM 937 CB TYR A 60 7.528 15.123 0.917 1.00 0.00 C ATOM 938 CG TYR A 60 7.074 15.792 2.194 1.00 0.00 C ATOM 939 CD1 TYR A 60 7.666 15.481 3.413 1.00 0.00 C ATOM 940 CD2 TYR A 60 6.053 16.734 2.183 1.00 0.00 C ATOM 941 CE1 TYR A 60 7.254 16.090 4.581 1.00 0.00 C ATOM 942 CE2 TYR A 60 5.636 17.349 3.347 1.00 0.00 C ATOM 943 CZ TYR A 60 6.239 17.024 4.544 1.00 0.00 C ATOM 944 OH TYR A 60 5.824 17.632 5.706 1.00 0.00 O ATOM 0 H TYR A 60 7.034 12.340 2.363 1.00 0.00 H new ATOM 0 HA TYR A 60 5.944 13.674 0.959 1.00 0.00 H new ATOM 0 HB2 TYR A 60 8.618 15.115 0.889 1.00 0.00 H new ATOM 0 HB3 TYR A 60 7.192 15.716 0.067 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.461 14.751 3.446 1.00 0.00 H new ATOM 0 HD2 TYR A 60 5.577 16.990 1.248 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.724 15.837 5.520 1.00 0.00 H new ATOM 0 HE2 TYR A 60 4.842 18.081 3.320 1.00 0.00 H new ATOM 0 HH TYR A 60 5.102 18.264 5.505 1.00 0.00 H new ATOM 954 N ARG A 61 7.066 11.910 -0.885 1.00 0.00 N ATOM 955 CA ARG A 61 7.257 11.321 -2.206 1.00 0.00 C ATOM 956 C ARG A 61 5.917 11.104 -2.902 1.00 0.00 C ATOM 957 O ARG A 61 5.844 11.069 -4.131 1.00 0.00 O ATOM 958 CB ARG A 61 8.006 9.992 -2.091 1.00 0.00 C ATOM 959 CG ARG A 61 9.471 10.148 -1.718 1.00 0.00 C ATOM 960 CD ARG A 61 10.306 8.989 -2.240 1.00 0.00 C ATOM 961 NE ARG A 61 11.731 9.305 -2.257 1.00 0.00 N ATOM 962 CZ ARG A 61 12.302 10.077 -3.176 1.00 0.00 C ATOM 963 NH1 ARG A 61 11.572 10.609 -4.146 1.00 0.00 N ATOM 964 NH2 ARG A 61 13.605 10.318 -3.124 1.00 0.00 N ATOM 0 H ARG A 61 6.787 11.246 -0.163 1.00 0.00 H new ATOM 0 HA ARG A 61 7.850 12.013 -2.804 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.514 9.371 -1.343 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.936 9.462 -3.041 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.853 11.085 -2.124 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.567 10.208 -0.634 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.137 8.111 -1.617 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.980 8.732 -3.248 1.00 0.00 H new ATOM 0 HE ARG A 61 12.321 8.912 -1.524 1.00 0.00 H new ATOM 0 HH11 ARG A 61 10.569 10.426 -4.189 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.013 11.201 -4.850 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.170 9.911 -2.378 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.043 10.911 -3.830 1.00 0.00 H new ATOM 978 N TYR A 62 4.861 10.958 -2.110 1.00 0.00 N ATOM 979 CA TYR A 62 3.524 10.741 -2.651 1.00 0.00 C ATOM 980 C TYR A 62 2.697 12.021 -2.586 1.00 0.00 C ATOM 981 O TYR A 62 2.176 12.385 -1.531 1.00 0.00 O ATOM 982 CB TYR A 62 2.816 9.624 -1.884 1.00 0.00 C ATOM 983 CG TYR A 62 3.565 8.310 -1.899 1.00 0.00 C ATOM 984 CD1 TYR A 62 4.160 7.840 -3.064 1.00 0.00 C ATOM 985 CD2 TYR A 62 3.677 7.538 -0.750 1.00 0.00 C ATOM 986 CE1 TYR A 62 4.844 6.641 -3.083 1.00 0.00 C ATOM 987 CE2 TYR A 62 4.361 6.337 -0.758 1.00 0.00 C ATOM 988 CZ TYR A 62 4.942 5.893 -1.928 1.00 0.00 C ATOM 989 OH TYR A 62 5.624 4.698 -1.942 1.00 0.00 O ATOM 0 H TYR A 62 4.904 10.986 -1.091 1.00 0.00 H new ATOM 0 HA TYR A 62 3.625 10.447 -3.696 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.672 9.939 -0.850 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.825 9.473 -2.312 1.00 0.00 H new ATOM 0 HD1 TYR A 62 4.086 8.423 -3.970 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.221 7.882 0.167 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.300 6.290 -3.997 1.00 0.00 H new ATOM 0 HE2 TYR A 62 4.440 5.750 0.145 1.00 0.00 H new ATOM 0 HH TYR A 62 5.736 4.396 -2.868 1.00 0.00 H new ATOM 999 N LEU A 63 2.579 12.700 -3.723 1.00 0.00 N ATOM 1000 CA LEU A 63 1.814 13.939 -3.797 1.00 0.00 C ATOM 1001 C LEU A 63 0.443 13.696 -4.420 1.00 0.00 C ATOM 1002 O LEU A 63 -0.501 14.447 -4.179 1.00 0.00 O ATOM 1003 CB LEU A 63 2.578 14.985 -4.612 1.00 0.00 C ATOM 1004 CG LEU A 63 3.997 15.298 -4.138 1.00 0.00 C ATOM 1005 CD1 LEU A 63 4.870 15.722 -5.310 1.00 0.00 C ATOM 1006 CD2 LEU A 63 3.976 16.380 -3.068 1.00 0.00 C ATOM 0 H LEU A 63 3.003 12.413 -4.605 1.00 0.00 H new ATOM 0 HA LEU A 63 1.671 14.310 -2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.628 14.645 -5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.003 15.911 -4.609 1.00 0.00 H new ATOM 0 HG LEU A 63 4.422 14.393 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.877 15.941 -4.953 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.912 14.916 -6.043 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.448 16.613 -5.774 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.995 16.590 -2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.532 17.287 -3.477 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.386 16.039 -2.217 1.00 0.00 H new ATOM 1018 N ASN A 64 0.340 12.640 -5.220 1.00 0.00 N ATOM 1019 CA ASN A 64 -0.916 12.296 -5.876 1.00 0.00 C ATOM 1020 C ASN A 64 -1.397 10.915 -5.440 1.00 0.00 C ATOM 1021 O ASN A 64 -0.615 9.967 -5.371 1.00 0.00 O ATOM 1022 CB ASN A 64 -0.749 12.334 -7.396 1.00 0.00 C ATOM 1023 CG ASN A 64 -0.125 13.630 -7.877 1.00 0.00 C ATOM 1024 OD1 ASN A 64 -0.805 14.648 -8.009 1.00 0.00 O ATOM 1025 ND2 ASN A 64 1.176 13.597 -8.142 1.00 0.00 N ATOM 0 H ASN A 64 1.112 12.007 -5.430 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.664 13.032 -5.581 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -0.128 11.496 -7.712 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.722 12.205 -7.869 1.00 0.00 H new ATOM 0 HD21 ASN A 64 1.651 14.438 -8.469 1.00 0.00 H new ATOM 0 HD22 ASN A 64 1.700 12.731 -8.018 1.00 0.00 H new ATOM 1032 N PHE A 65 -2.689 10.810 -5.148 1.00 0.00 N ATOM 1033 CA PHE A 65 -3.276 9.546 -4.719 1.00 0.00 C ATOM 1034 C PHE A 65 -2.755 8.389 -5.568 1.00 0.00 C ATOM 1035 O PHE A 65 -2.180 7.433 -5.047 1.00 0.00 O ATOM 1036 CB PHE A 65 -4.801 9.611 -4.807 1.00 0.00 C ATOM 1037 CG PHE A 65 -5.496 8.613 -3.924 1.00 0.00 C ATOM 1038 CD1 PHE A 65 -5.467 8.751 -2.546 1.00 0.00 C ATOM 1039 CD2 PHE A 65 -6.179 7.541 -4.472 1.00 0.00 C ATOM 1040 CE1 PHE A 65 -6.104 7.834 -1.731 1.00 0.00 C ATOM 1041 CE2 PHE A 65 -6.818 6.621 -3.662 1.00 0.00 C ATOM 1042 CZ PHE A 65 -6.782 6.768 -2.290 1.00 0.00 C ATOM 0 H PHE A 65 -3.350 11.585 -5.201 1.00 0.00 H new ATOM 0 HA PHE A 65 -2.986 9.373 -3.683 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.130 10.614 -4.537 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.105 9.443 -5.840 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.941 9.584 -2.104 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.213 7.422 -5.545 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.072 7.951 -0.658 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.345 5.788 -4.102 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.282 6.052 -1.655 1.00 0.00 H new ATOM 1052 N ASP A 66 -2.962 8.484 -6.877 1.00 0.00 N ATOM 1053 CA ASP A 66 -2.514 7.447 -7.798 1.00 0.00 C ATOM 1054 C ASP A 66 -1.195 6.839 -7.333 1.00 0.00 C ATOM 1055 O ASP A 66 -1.024 5.619 -7.344 1.00 0.00 O ATOM 1056 CB ASP A 66 -2.357 8.020 -9.208 1.00 0.00 C ATOM 1057 CG ASP A 66 -3.487 8.959 -9.581 1.00 0.00 C ATOM 1058 OD1 ASP A 66 -4.634 8.482 -9.713 1.00 0.00 O ATOM 1059 OD2 ASP A 66 -3.225 10.170 -9.741 1.00 0.00 O ATOM 0 H ASP A 66 -3.437 9.268 -7.324 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.269 6.661 -7.815 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.408 8.552 -9.277 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.316 7.202 -9.927 1.00 0.00 H new ATOM 1064 N ASP A 67 -0.265 7.696 -6.926 1.00 0.00 N ATOM 1065 CA ASP A 67 1.039 7.244 -6.456 1.00 0.00 C ATOM 1066 C ASP A 67 0.901 6.422 -5.178 1.00 0.00 C ATOM 1067 O ASP A 67 1.388 5.294 -5.098 1.00 0.00 O ATOM 1068 CB ASP A 67 1.960 8.440 -6.212 1.00 0.00 C ATOM 1069 CG ASP A 67 3.426 8.079 -6.345 1.00 0.00 C ATOM 1070 OD1 ASP A 67 3.722 6.905 -6.652 1.00 0.00 O ATOM 1071 OD2 ASP A 67 4.278 8.970 -6.142 1.00 0.00 O ATOM 0 H ASP A 67 -0.390 8.708 -6.912 1.00 0.00 H new ATOM 0 HA ASP A 67 1.477 6.611 -7.228 1.00 0.00 H new ATOM 0 HB2 ASP A 67 1.718 9.232 -6.921 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.776 8.839 -5.214 1.00 0.00 H new ATOM 1076 N PHE A 68 0.238 6.996 -4.181 1.00 0.00 N ATOM 1077 CA PHE A 68 0.037 6.318 -2.905 1.00 0.00 C ATOM 1078 C PHE A 68 -0.654 4.973 -3.107 1.00 0.00 C ATOM 1079 O PHE A 68 -0.380 4.009 -2.391 1.00 0.00 O ATOM 1080 CB PHE A 68 -0.790 7.194 -1.962 1.00 0.00 C ATOM 1081 CG PHE A 68 -1.053 6.556 -0.628 1.00 0.00 C ATOM 1082 CD1 PHE A 68 -0.110 6.624 0.386 1.00 0.00 C ATOM 1083 CD2 PHE A 68 -2.243 5.887 -0.387 1.00 0.00 C ATOM 1084 CE1 PHE A 68 -0.350 6.038 1.614 1.00 0.00 C ATOM 1085 CE2 PHE A 68 -2.488 5.299 0.840 1.00 0.00 C ATOM 1086 CZ PHE A 68 -1.541 5.375 1.842 1.00 0.00 C ATOM 0 H PHE A 68 -0.170 7.930 -4.231 1.00 0.00 H new ATOM 0 HA PHE A 68 1.015 6.140 -2.458 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.270 8.139 -1.807 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.742 7.428 -2.438 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.823 7.141 0.214 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.987 5.824 -1.167 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.393 6.098 2.396 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.419 4.781 1.015 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.731 4.917 2.802 1.00 0.00 H new ATOM 1096 N GLU A 69 -1.552 4.917 -4.085 1.00 0.00 N ATOM 1097 CA GLU A 69 -2.284 3.691 -4.379 1.00 0.00 C ATOM 1098 C GLU A 69 -1.375 2.659 -5.040 1.00 0.00 C ATOM 1099 O GLU A 69 -1.354 1.493 -4.647 1.00 0.00 O ATOM 1100 CB GLU A 69 -3.479 3.990 -5.288 1.00 0.00 C ATOM 1101 CG GLU A 69 -4.209 2.744 -5.764 1.00 0.00 C ATOM 1102 CD GLU A 69 -5.455 3.068 -6.565 1.00 0.00 C ATOM 1103 OE1 GLU A 69 -6.509 3.323 -5.946 1.00 0.00 O ATOM 1104 OE2 GLU A 69 -5.374 3.067 -7.812 1.00 0.00 O ATOM 0 H GLU A 69 -1.790 5.706 -4.687 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.646 3.280 -3.437 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.181 4.630 -4.753 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.133 4.552 -6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.535 2.144 -6.375 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.484 2.137 -4.902 1.00 0.00 H new ATOM 1111 N GLU A 70 -0.625 3.098 -6.046 1.00 0.00 N ATOM 1112 CA GLU A 70 0.286 2.212 -6.761 1.00 0.00 C ATOM 1113 C GLU A 70 1.073 1.340 -5.788 1.00 0.00 C ATOM 1114 O GLU A 70 1.055 0.112 -5.884 1.00 0.00 O ATOM 1115 CB GLU A 70 1.249 3.026 -7.628 1.00 0.00 C ATOM 1116 CG GLU A 70 2.018 2.188 -8.635 1.00 0.00 C ATOM 1117 CD GLU A 70 1.225 1.926 -9.901 1.00 0.00 C ATOM 1118 OE1 GLU A 70 0.129 1.337 -9.805 1.00 0.00 O ATOM 1119 OE2 GLU A 70 1.702 2.312 -10.990 1.00 0.00 O ATOM 0 H GLU A 70 -0.630 4.060 -6.384 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.309 1.563 -7.403 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.686 3.792 -8.161 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.958 3.543 -6.981 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.947 2.697 -8.891 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.291 1.237 -8.178 1.00 0.00 H new ATOM 1126 N ASP A 71 1.764 1.982 -4.852 1.00 0.00 N ATOM 1127 CA ASP A 71 2.557 1.266 -3.861 1.00 0.00 C ATOM 1128 C ASP A 71 1.755 0.126 -3.242 1.00 0.00 C ATOM 1129 O ASP A 71 2.156 -1.037 -3.309 1.00 0.00 O ATOM 1130 CB ASP A 71 3.031 2.225 -2.768 1.00 0.00 C ATOM 1131 CG ASP A 71 3.411 3.586 -3.315 1.00 0.00 C ATOM 1132 OD1 ASP A 71 4.301 3.647 -4.188 1.00 0.00 O ATOM 1133 OD2 ASP A 71 2.818 4.592 -2.870 1.00 0.00 O ATOM 0 H ASP A 71 1.790 2.997 -4.759 1.00 0.00 H new ATOM 0 HA ASP A 71 3.426 0.842 -4.364 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.242 2.343 -2.025 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.889 1.791 -2.255 1.00 0.00 H new ATOM 1138 N PHE A 72 0.620 0.466 -2.640 1.00 0.00 N ATOM 1139 CA PHE A 72 -0.238 -0.529 -2.008 1.00 0.00 C ATOM 1140 C PHE A 72 -0.476 -1.713 -2.940 1.00 0.00 C ATOM 1141 O PHE A 72 -0.253 -2.865 -2.567 1.00 0.00 O ATOM 1142 CB PHE A 72 -1.576 0.098 -1.611 1.00 0.00 C ATOM 1143 CG PHE A 72 -2.596 -0.903 -1.152 1.00 0.00 C ATOM 1144 CD1 PHE A 72 -2.674 -1.271 0.182 1.00 0.00 C ATOM 1145 CD2 PHE A 72 -3.477 -1.479 -2.054 1.00 0.00 C ATOM 1146 CE1 PHE A 72 -3.611 -2.193 0.609 1.00 0.00 C ATOM 1147 CE2 PHE A 72 -4.416 -2.402 -1.633 1.00 0.00 C ATOM 1148 CZ PHE A 72 -4.483 -2.759 -0.301 1.00 0.00 C ATOM 0 H PHE A 72 0.273 1.423 -2.577 1.00 0.00 H new ATOM 0 HA PHE A 72 0.267 -0.890 -1.112 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -1.406 0.822 -0.815 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -1.977 0.648 -2.462 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -1.994 -0.832 0.897 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.429 -1.204 -3.097 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -3.661 -2.470 1.652 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -5.097 -2.844 -2.346 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.216 -3.480 0.029 1.00 0.00 H new ATOM 1158 N ASN A 73 -0.931 -1.421 -4.154 1.00 0.00 N ATOM 1159 CA ASN A 73 -1.200 -2.462 -5.140 1.00 0.00 C ATOM 1160 C ASN A 73 -0.068 -3.484 -5.175 1.00 0.00 C ATOM 1161 O ASN A 73 -0.300 -4.689 -5.058 1.00 0.00 O ATOM 1162 CB ASN A 73 -1.386 -1.843 -6.527 1.00 0.00 C ATOM 1163 CG ASN A 73 -2.656 -1.021 -6.627 1.00 0.00 C ATOM 1164 OD1 ASN A 73 -3.631 -1.275 -5.921 1.00 0.00 O ATOM 1165 ND2 ASN A 73 -2.649 -0.026 -7.508 1.00 0.00 N ATOM 0 H ASN A 73 -1.121 -0.473 -4.479 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.118 -2.973 -4.851 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.528 -1.211 -6.758 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.409 -2.635 -7.275 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.475 0.563 -7.619 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.818 0.149 -8.073 1.00 0.00 H new ATOM 1172 N LEU A 74 1.157 -2.998 -5.335 1.00 0.00 N ATOM 1173 CA LEU A 74 2.327 -3.868 -5.385 1.00 0.00 C ATOM 1174 C LEU A 74 2.365 -4.797 -4.176 1.00 0.00 C ATOM 1175 O LEU A 74 2.515 -6.011 -4.319 1.00 0.00 O ATOM 1176 CB LEU A 74 3.607 -3.033 -5.442 1.00 0.00 C ATOM 1177 CG LEU A 74 3.906 -2.354 -6.779 1.00 0.00 C ATOM 1178 CD1 LEU A 74 5.028 -1.339 -6.622 1.00 0.00 C ATOM 1179 CD2 LEU A 74 4.266 -3.390 -7.834 1.00 0.00 C ATOM 0 H LEU A 74 1.367 -2.005 -5.433 1.00 0.00 H new ATOM 0 HA LEU A 74 2.259 -4.477 -6.287 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.550 -2.264 -4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.449 -3.677 -5.188 1.00 0.00 H new ATOM 0 HG LEU A 74 3.010 -1.827 -7.106 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.227 -0.866 -7.583 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.733 -0.580 -5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 74 5.929 -1.843 -6.272 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.476 -2.889 -8.779 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.148 -3.944 -7.514 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.432 -4.080 -7.966 1.00 0.00 H new ATOM 1191 N ILE A 75 2.227 -4.219 -2.988 1.00 0.00 N ATOM 1192 CA ILE A 75 2.242 -4.996 -1.755 1.00 0.00 C ATOM 1193 C ILE A 75 1.454 -6.291 -1.911 1.00 0.00 C ATOM 1194 O ILE A 75 1.818 -7.325 -1.350 1.00 0.00 O ATOM 1195 CB ILE A 75 1.661 -4.194 -0.575 1.00 0.00 C ATOM 1196 CG1 ILE A 75 2.470 -2.914 -0.354 1.00 0.00 C ATOM 1197 CG2 ILE A 75 1.646 -5.042 0.686 1.00 0.00 C ATOM 1198 CD1 ILE A 75 1.926 -2.040 0.755 1.00 0.00 C ATOM 0 H ILE A 75 2.104 -3.216 -2.853 1.00 0.00 H new ATOM 0 HA ILE A 75 3.285 -5.231 -1.545 1.00 0.00 H new ATOM 0 HB ILE A 75 0.634 -3.916 -0.814 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.501 -3.181 -0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.489 -2.341 -1.281 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.233 -4.461 1.510 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.031 -5.927 0.522 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.663 -5.347 0.931 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.548 -1.151 0.856 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.905 -1.743 0.516 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.933 -2.596 1.693 1.00 0.00 H new ATOM 1210 N VAL A 76 0.371 -6.230 -2.680 1.00 0.00 N ATOM 1211 CA VAL A 76 -0.469 -7.398 -2.913 1.00 0.00 C ATOM 1212 C VAL A 76 -0.016 -8.161 -4.153 1.00 0.00 C ATOM 1213 O VAL A 76 0.126 -9.383 -4.124 1.00 0.00 O ATOM 1214 CB VAL A 76 -1.949 -7.002 -3.079 1.00 0.00 C ATOM 1215 CG1 VAL A 76 -2.816 -8.240 -3.254 1.00 0.00 C ATOM 1216 CG2 VAL A 76 -2.416 -6.178 -1.889 1.00 0.00 C ATOM 0 H VAL A 76 0.055 -5.383 -3.152 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.369 -8.040 -2.038 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.046 -6.390 -3.976 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.858 -7.941 -3.370 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.495 -8.787 -4.140 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.717 -8.880 -2.377 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.463 -5.907 -2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.306 -6.763 -0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.814 -5.273 -1.814 1.00 0.00 H new ATOM 1226 N SER A 77 0.208 -7.432 -5.241 1.00 0.00 N ATOM 1227 CA SER A 77 0.642 -8.040 -6.493 1.00 0.00 C ATOM 1228 C SER A 77 1.908 -8.867 -6.286 1.00 0.00 C ATOM 1229 O SER A 77 1.877 -10.095 -6.349 1.00 0.00 O ATOM 1230 CB SER A 77 0.891 -6.962 -7.549 1.00 0.00 C ATOM 1231 OG SER A 77 1.720 -7.449 -8.591 1.00 0.00 O ATOM 0 H SER A 77 0.096 -6.419 -5.281 1.00 0.00 H new ATOM 0 HA SER A 77 -0.151 -8.702 -6.840 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.060 -6.628 -7.963 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.359 -6.094 -7.084 1.00 0.00 H new ATOM 0 HG SER A 77 1.862 -6.741 -9.254 1.00 0.00 H new ATOM 1237 N ASN A 78 3.020 -8.182 -6.038 1.00 0.00 N ATOM 1238 CA ASN A 78 4.297 -8.852 -5.821 1.00 0.00 C ATOM 1239 C ASN A 78 4.115 -10.112 -4.981 1.00 0.00 C ATOM 1240 O ASN A 78 4.810 -11.110 -5.184 1.00 0.00 O ATOM 1241 CB ASN A 78 5.283 -7.905 -5.133 1.00 0.00 C ATOM 1242 CG ASN A 78 5.645 -6.716 -6.002 1.00 0.00 C ATOM 1243 OD1 ASN A 78 5.680 -6.816 -7.227 1.00 0.00 O ATOM 1244 ND2 ASN A 78 5.916 -5.580 -5.368 1.00 0.00 N ATOM 0 H ASN A 78 3.062 -7.164 -5.982 1.00 0.00 H new ATOM 0 HA ASN A 78 4.697 -9.140 -6.793 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.849 -7.550 -4.198 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.189 -8.453 -4.876 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.165 -4.746 -5.900 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.875 -5.542 -4.350 1.00 0.00 H new ATOM 1251 N CYS A 79 3.179 -10.061 -4.041 1.00 0.00 N ATOM 1252 CA CYS A 79 2.905 -11.198 -3.171 1.00 0.00 C ATOM 1253 C CYS A 79 2.053 -12.240 -3.890 1.00 0.00 C ATOM 1254 O CYS A 79 2.227 -13.443 -3.689 1.00 0.00 O ATOM 1255 CB CYS A 79 2.197 -10.734 -1.897 1.00 0.00 C ATOM 1256 SG CYS A 79 2.286 -11.915 -0.530 1.00 0.00 S ATOM 0 H CYS A 79 2.596 -9.243 -3.862 1.00 0.00 H new ATOM 0 HA CYS A 79 3.857 -11.656 -2.902 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.634 -9.789 -1.575 1.00 0.00 H new ATOM 0 HB3 CYS A 79 1.149 -10.539 -2.127 1.00 0.00 H new ATOM 0 HG CYS A 79 1.164 -11.904 0.127 1.00 0.00 H new ATOM 1262 N LEU A 80 1.134 -11.770 -4.725 1.00 0.00 N ATOM 1263 CA LEU A 80 0.253 -12.661 -5.473 1.00 0.00 C ATOM 1264 C LEU A 80 0.945 -13.183 -6.728 1.00 0.00 C ATOM 1265 O LEU A 80 0.426 -14.063 -7.416 1.00 0.00 O ATOM 1266 CB LEU A 80 -1.037 -11.934 -5.852 1.00 0.00 C ATOM 1267 CG LEU A 80 -2.004 -11.638 -4.705 1.00 0.00 C ATOM 1268 CD1 LEU A 80 -3.093 -10.680 -5.158 1.00 0.00 C ATOM 1269 CD2 LEU A 80 -2.612 -12.928 -4.174 1.00 0.00 C ATOM 0 H LEU A 80 0.979 -10.777 -4.902 1.00 0.00 H new ATOM 0 HA LEU A 80 0.009 -13.511 -4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.772 -10.991 -6.329 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.562 -12.532 -6.597 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.446 -11.164 -3.898 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.771 -10.481 -4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.641 -9.745 -5.489 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.649 -11.125 -5.983 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.298 -12.698 -3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.155 -13.430 -4.974 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.819 -13.581 -3.809 1.00 0.00 H new ATOM 1281 N LYS A 81 2.120 -12.636 -7.020 1.00 0.00 N ATOM 1282 CA LYS A 81 2.886 -13.047 -8.191 1.00 0.00 C ATOM 1283 C LYS A 81 4.068 -13.923 -7.788 1.00 0.00 C ATOM 1284 O LYS A 81 4.477 -14.813 -8.534 1.00 0.00 O ATOM 1285 CB LYS A 81 3.384 -11.819 -8.957 1.00 0.00 C ATOM 1286 CG LYS A 81 4.749 -11.332 -8.503 1.00 0.00 C ATOM 1287 CD LYS A 81 5.229 -10.159 -9.340 1.00 0.00 C ATOM 1288 CE LYS A 81 6.038 -10.625 -10.541 1.00 0.00 C ATOM 1289 NZ LYS A 81 5.177 -10.850 -11.736 1.00 0.00 N ATOM 0 H LYS A 81 2.563 -11.906 -6.462 1.00 0.00 H new ATOM 0 HA LYS A 81 2.230 -13.629 -8.838 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.427 -12.057 -10.020 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.662 -11.011 -8.840 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.701 -11.037 -7.455 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.469 -12.148 -8.572 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.371 -9.579 -9.681 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.838 -9.497 -8.725 1.00 0.00 H new ATOM 0 HE2 LYS A 81 6.799 -9.881 -10.777 1.00 0.00 H new ATOM 0 HE3 LYS A 81 6.561 -11.548 -10.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 5.065 -11.872 -11.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.243 -10.420 -11.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.621 -10.415 -12.570 1.00 0.00 H new ATOM 1303 N TYR A 82 4.612 -13.664 -6.603 1.00 0.00 N ATOM 1304 CA TYR A 82 5.748 -14.428 -6.102 1.00 0.00 C ATOM 1305 C TYR A 82 5.306 -15.803 -5.609 1.00 0.00 C ATOM 1306 O TYR A 82 5.849 -16.827 -6.021 1.00 0.00 O ATOM 1307 CB TYR A 82 6.441 -13.667 -4.970 1.00 0.00 C ATOM 1308 CG TYR A 82 7.838 -14.165 -4.673 1.00 0.00 C ATOM 1309 CD1 TYR A 82 8.749 -14.392 -5.697 1.00 0.00 C ATOM 1310 CD2 TYR A 82 8.247 -14.406 -3.367 1.00 0.00 C ATOM 1311 CE1 TYR A 82 10.025 -14.848 -5.429 1.00 0.00 C ATOM 1312 CE2 TYR A 82 9.522 -14.861 -3.090 1.00 0.00 C ATOM 1313 CZ TYR A 82 10.407 -15.080 -4.124 1.00 0.00 C ATOM 1314 OH TYR A 82 11.678 -15.533 -3.854 1.00 0.00 O ATOM 0 H TYR A 82 4.285 -12.932 -5.973 1.00 0.00 H new ATOM 0 HA TYR A 82 6.451 -14.566 -6.923 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.489 -12.610 -5.230 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.836 -13.746 -4.067 1.00 0.00 H new ATOM 0 HD1 TYR A 82 8.455 -14.209 -6.720 1.00 0.00 H new ATOM 0 HD2 TYR A 82 7.556 -14.235 -2.554 1.00 0.00 H new ATOM 0 HE1 TYR A 82 10.720 -15.022 -6.237 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.823 -15.044 -2.069 1.00 0.00 H new ATOM 0 HH TYR A 82 12.060 -15.935 -4.662 1.00 0.00 H new ATOM 1324 N ASN A 83 4.314 -15.816 -4.725 1.00 0.00 N ATOM 1325 CA ASN A 83 3.796 -17.063 -4.174 1.00 0.00 C ATOM 1326 C ASN A 83 2.418 -17.380 -4.747 1.00 0.00 C ATOM 1327 O ASN A 83 1.901 -16.648 -5.590 1.00 0.00 O ATOM 1328 CB ASN A 83 3.720 -16.979 -2.648 1.00 0.00 C ATOM 1329 CG ASN A 83 5.011 -16.477 -2.032 1.00 0.00 C ATOM 1330 OD1 ASN A 83 6.060 -17.109 -2.158 1.00 0.00 O ATOM 1331 ND2 ASN A 83 4.940 -15.333 -1.361 1.00 0.00 N ATOM 0 H ASN A 83 3.852 -14.977 -4.375 1.00 0.00 H new ATOM 0 HA ASN A 83 4.479 -17.865 -4.453 1.00 0.00 H new ATOM 0 HB2 ASN A 83 2.903 -16.316 -2.364 1.00 0.00 H new ATOM 0 HB3 ASN A 83 3.487 -17.964 -2.244 1.00 0.00 H new ATOM 0 HD21 ASN A 83 5.776 -14.945 -0.925 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.049 -14.843 -1.282 1.00 0.00 H new ATOM 1338 N ALA A 84 1.828 -18.477 -4.282 1.00 0.00 N ATOM 1339 CA ALA A 84 0.510 -18.890 -4.746 1.00 0.00 C ATOM 1340 C ALA A 84 -0.467 -19.014 -3.582 1.00 0.00 C ATOM 1341 O ALA A 84 -0.060 -19.106 -2.423 1.00 0.00 O ATOM 1342 CB ALA A 84 0.603 -20.207 -5.501 1.00 0.00 C ATOM 0 H ALA A 84 2.243 -19.095 -3.584 1.00 0.00 H new ATOM 0 HA ALA A 84 0.134 -18.123 -5.423 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -0.390 -20.502 -5.841 1.00 0.00 H new ATOM 0 HB2 ALA A 84 1.261 -20.087 -6.362 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.004 -20.977 -4.842 1.00 0.00 H new ATOM 1348 N LYS A 85 -1.758 -19.015 -3.897 1.00 0.00 N ATOM 1349 CA LYS A 85 -2.794 -19.129 -2.877 1.00 0.00 C ATOM 1350 C LYS A 85 -2.392 -20.132 -1.801 1.00 0.00 C ATOM 1351 O LYS A 85 -2.777 -19.999 -0.639 1.00 0.00 O ATOM 1352 CB LYS A 85 -4.120 -19.552 -3.513 1.00 0.00 C ATOM 1353 CG LYS A 85 -4.716 -18.502 -4.435 1.00 0.00 C ATOM 1354 CD LYS A 85 -5.735 -19.108 -5.385 1.00 0.00 C ATOM 1355 CE LYS A 85 -6.124 -18.129 -6.482 1.00 0.00 C ATOM 1356 NZ LYS A 85 -7.143 -18.705 -7.403 1.00 0.00 N ATOM 0 H LYS A 85 -2.112 -18.938 -4.851 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.917 -18.152 -2.410 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.966 -20.472 -4.076 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -4.836 -19.778 -2.723 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.191 -17.722 -3.840 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.920 -18.026 -5.008 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.324 -20.013 -5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.624 -19.403 -4.827 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.515 -17.216 -6.032 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.237 -17.849 -7.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.382 -18.007 -8.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.761 -19.562 -7.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.999 -18.948 -6.865 1.00 0.00 H new ATOM 1370 N ASP A 86 -1.612 -21.133 -2.194 1.00 0.00 N ATOM 1371 CA ASP A 86 -1.155 -22.157 -1.262 1.00 0.00 C ATOM 1372 C ASP A 86 -0.432 -21.528 -0.075 1.00 0.00 C ATOM 1373 O ASP A 86 -0.685 -21.879 1.078 1.00 0.00 O ATOM 1374 CB ASP A 86 -0.229 -23.146 -1.971 1.00 0.00 C ATOM 1375 CG ASP A 86 -0.958 -23.980 -3.008 1.00 0.00 C ATOM 1376 OD1 ASP A 86 -1.270 -23.441 -4.090 1.00 0.00 O ATOM 1377 OD2 ASP A 86 -1.217 -25.171 -2.736 1.00 0.00 O ATOM 0 H ASP A 86 -1.283 -21.257 -3.152 1.00 0.00 H new ATOM 0 HA ASP A 86 -2.030 -22.691 -0.891 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.581 -22.599 -2.453 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.227 -23.806 -1.233 1.00 0.00 H new ATOM 1382 N THR A 87 0.471 -20.596 -0.364 1.00 0.00 N ATOM 1383 CA THR A 87 1.232 -19.919 0.678 1.00 0.00 C ATOM 1384 C THR A 87 0.330 -19.035 1.532 1.00 0.00 C ATOM 1385 O THR A 87 -0.836 -18.820 1.201 1.00 0.00 O ATOM 1386 CB THR A 87 2.360 -19.055 0.080 1.00 0.00 C ATOM 1387 OG1 THR A 87 1.806 -18.055 -0.782 1.00 0.00 O ATOM 1388 CG2 THR A 87 3.344 -19.915 -0.699 1.00 0.00 C ATOM 0 H THR A 87 0.693 -20.293 -1.312 1.00 0.00 H new ATOM 0 HA THR A 87 1.672 -20.696 1.303 1.00 0.00 H new ATOM 0 HB THR A 87 2.893 -18.573 0.900 1.00 0.00 H new ATOM 0 HG1 THR A 87 1.256 -18.484 -1.470 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.131 -19.284 -1.112 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.785 -20.657 -0.033 1.00 0.00 H new ATOM 0 HG23 THR A 87 2.822 -20.421 -1.511 1.00 0.00 H new ATOM 1396 N ILE A 88 0.876 -18.526 2.631 1.00 0.00 N ATOM 1397 CA ILE A 88 0.120 -17.665 3.531 1.00 0.00 C ATOM 1398 C ILE A 88 0.098 -16.226 3.026 1.00 0.00 C ATOM 1399 O ILE A 88 -0.959 -15.691 2.689 1.00 0.00 O ATOM 1400 CB ILE A 88 0.705 -17.687 4.956 1.00 0.00 C ATOM 1401 CG1 ILE A 88 0.148 -18.876 5.740 1.00 0.00 C ATOM 1402 CG2 ILE A 88 0.401 -16.380 5.674 1.00 0.00 C ATOM 1403 CD1 ILE A 88 0.571 -18.892 7.193 1.00 0.00 C ATOM 0 H ILE A 88 1.840 -18.695 2.920 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.898 -18.054 3.558 1.00 0.00 H new ATOM 0 HB ILE A 88 1.787 -17.797 4.888 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.941 -18.858 5.687 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.475 -19.800 5.264 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.821 -16.411 6.679 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.843 -15.550 5.122 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.678 -16.241 5.736 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.140 -19.762 7.688 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.658 -18.941 7.255 1.00 0.00 H new ATOM 0 HD13 ILE A 88 0.220 -17.984 7.684 1.00 0.00 H new ATOM 1415 N PHE A 89 1.272 -15.605 2.972 1.00 0.00 N ATOM 1416 CA PHE A 89 1.388 -14.228 2.506 1.00 0.00 C ATOM 1417 C PHE A 89 0.446 -13.970 1.334 1.00 0.00 C ATOM 1418 O PHE A 89 0.028 -12.836 1.097 1.00 0.00 O ATOM 1419 CB PHE A 89 2.830 -13.927 2.092 1.00 0.00 C ATOM 1420 CG PHE A 89 3.853 -14.681 2.892 1.00 0.00 C ATOM 1421 CD1 PHE A 89 3.758 -14.751 4.274 1.00 0.00 C ATOM 1422 CD2 PHE A 89 4.910 -15.320 2.265 1.00 0.00 C ATOM 1423 CE1 PHE A 89 4.698 -15.443 5.012 1.00 0.00 C ATOM 1424 CE2 PHE A 89 5.854 -16.015 2.999 1.00 0.00 C ATOM 1425 CZ PHE A 89 5.747 -16.076 4.375 1.00 0.00 C ATOM 0 H PHE A 89 2.156 -16.034 3.245 1.00 0.00 H new ATOM 0 HA PHE A 89 1.108 -13.568 3.327 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.955 -14.170 1.037 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.014 -12.858 2.197 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.940 -14.259 4.779 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.998 -15.275 1.190 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.613 -15.489 6.088 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.673 -16.509 2.498 1.00 0.00 H new ATOM 0 HZ PHE A 89 6.482 -16.618 4.951 1.00 0.00 H new ATOM 1435 N TYR A 90 0.117 -15.029 0.603 1.00 0.00 N ATOM 1436 CA TYR A 90 -0.773 -14.917 -0.547 1.00 0.00 C ATOM 1437 C TYR A 90 -2.207 -14.643 -0.102 1.00 0.00 C ATOM 1438 O TYR A 90 -2.769 -13.589 -0.398 1.00 0.00 O ATOM 1439 CB TYR A 90 -0.722 -16.197 -1.383 1.00 0.00 C ATOM 1440 CG TYR A 90 -1.311 -16.039 -2.767 1.00 0.00 C ATOM 1441 CD1 TYR A 90 -2.666 -15.787 -2.943 1.00 0.00 C ATOM 1442 CD2 TYR A 90 -0.513 -16.140 -3.900 1.00 0.00 C ATOM 1443 CE1 TYR A 90 -3.209 -15.644 -4.206 1.00 0.00 C ATOM 1444 CE2 TYR A 90 -1.046 -15.996 -5.166 1.00 0.00 C ATOM 1445 CZ TYR A 90 -2.395 -15.749 -5.314 1.00 0.00 C ATOM 1446 OH TYR A 90 -2.931 -15.605 -6.573 1.00 0.00 O ATOM 0 H TYR A 90 0.453 -15.975 0.786 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.435 -14.079 -1.156 1.00 0.00 H new ATOM 0 HB2 TYR A 90 0.315 -16.521 -1.473 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.258 -16.987 -0.857 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.306 -15.701 -2.078 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.543 -16.335 -3.789 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.265 -15.451 -4.324 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.410 -16.076 -6.035 1.00 0.00 H new ATOM 0 HH TYR A 90 -2.223 -15.706 -7.243 1.00 0.00 H new ATOM 1456 N ARG A 91 -2.791 -15.601 0.610 1.00 0.00 N ATOM 1457 CA ARG A 91 -4.158 -15.466 1.096 1.00 0.00 C ATOM 1458 C ARG A 91 -4.335 -14.159 1.866 1.00 0.00 C ATOM 1459 O ARG A 91 -5.378 -13.512 1.779 1.00 0.00 O ATOM 1460 CB ARG A 91 -4.524 -16.650 1.992 1.00 0.00 C ATOM 1461 CG ARG A 91 -4.655 -17.965 1.240 1.00 0.00 C ATOM 1462 CD ARG A 91 -4.450 -19.157 2.161 1.00 0.00 C ATOM 1463 NE ARG A 91 -4.311 -20.405 1.418 1.00 0.00 N ATOM 1464 CZ ARG A 91 -5.343 -21.118 0.978 1.00 0.00 C ATOM 1465 NH1 ARG A 91 -6.582 -20.705 1.206 1.00 0.00 N ATOM 1466 NH2 ARG A 91 -5.136 -22.244 0.309 1.00 0.00 N ATOM 0 H ARG A 91 -2.338 -16.479 0.863 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.823 -15.453 0.233 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.764 -16.758 2.766 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.465 -16.435 2.498 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.641 -18.025 0.780 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.924 -17.998 0.433 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.560 -18.996 2.769 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.294 -19.235 2.846 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.370 -20.749 1.226 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.744 -19.839 1.720 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.373 -21.253 0.868 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -4.184 -22.564 0.131 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -5.929 -22.790 -0.028 1.00 0.00 H new ATOM 1480 N ALA A 92 -3.308 -13.779 2.619 1.00 0.00 N ATOM 1481 CA ALA A 92 -3.349 -12.549 3.402 1.00 0.00 C ATOM 1482 C ALA A 92 -3.446 -11.326 2.498 1.00 0.00 C ATOM 1483 O ALA A 92 -4.181 -10.383 2.791 1.00 0.00 O ATOM 1484 CB ALA A 92 -2.121 -12.452 4.296 1.00 0.00 C ATOM 0 H ALA A 92 -2.438 -14.304 2.704 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.240 -12.576 4.029 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.164 -11.529 4.875 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.096 -13.305 4.974 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -1.222 -12.452 3.680 1.00 0.00 H new ATOM 1490 N ALA A 93 -2.699 -11.347 1.399 1.00 0.00 N ATOM 1491 CA ALA A 93 -2.703 -10.239 0.452 1.00 0.00 C ATOM 1492 C ALA A 93 -4.046 -10.133 -0.265 1.00 0.00 C ATOM 1493 O ALA A 93 -4.553 -9.036 -0.497 1.00 0.00 O ATOM 1494 CB ALA A 93 -1.576 -10.403 -0.557 1.00 0.00 C ATOM 0 H ALA A 93 -2.084 -12.119 1.143 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.545 -9.316 1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -1.591 -9.568 -1.258 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.620 -10.421 -0.034 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -1.709 -11.337 -1.102 1.00 0.00 H new ATOM 1500 N VAL A 94 -4.617 -11.282 -0.613 1.00 0.00 N ATOM 1501 CA VAL A 94 -5.901 -11.319 -1.303 1.00 0.00 C ATOM 1502 C VAL A 94 -6.950 -10.503 -0.555 1.00 0.00 C ATOM 1503 O VAL A 94 -7.642 -9.673 -1.146 1.00 0.00 O ATOM 1504 CB VAL A 94 -6.410 -12.763 -1.465 1.00 0.00 C ATOM 1505 CG1 VAL A 94 -7.903 -12.774 -1.759 1.00 0.00 C ATOM 1506 CG2 VAL A 94 -5.638 -13.480 -2.562 1.00 0.00 C ATOM 0 H VAL A 94 -4.211 -12.199 -0.428 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.742 -10.885 -2.290 1.00 0.00 H new ATOM 0 HB VAL A 94 -6.244 -13.295 -0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -8.244 -13.803 -1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -8.439 -12.301 -0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -8.096 -12.226 -2.681 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.011 -14.499 -2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.770 -12.950 -3.505 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.579 -13.505 -2.305 1.00 0.00 H new ATOM 1516 N ARG A 95 -7.063 -10.745 0.746 1.00 0.00 N ATOM 1517 CA ARG A 95 -8.028 -10.033 1.576 1.00 0.00 C ATOM 1518 C ARG A 95 -7.778 -8.529 1.530 1.00 0.00 C ATOM 1519 O ARG A 95 -8.679 -7.748 1.220 1.00 0.00 O ATOM 1520 CB ARG A 95 -7.956 -10.530 3.020 1.00 0.00 C ATOM 1521 CG ARG A 95 -8.923 -9.824 3.956 1.00 0.00 C ATOM 1522 CD ARG A 95 -9.372 -10.736 5.087 1.00 0.00 C ATOM 1523 NE ARG A 95 -10.577 -11.484 4.741 1.00 0.00 N ATOM 1524 CZ ARG A 95 -11.162 -12.354 5.556 1.00 0.00 C ATOM 1525 NH1 ARG A 95 -10.653 -12.585 6.759 1.00 0.00 N ATOM 1526 NH2 ARG A 95 -12.257 -12.996 5.169 1.00 0.00 N ATOM 0 H ARG A 95 -6.498 -11.429 1.249 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.025 -10.230 1.182 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.162 -11.600 3.038 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.940 -10.395 3.392 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.446 -8.936 4.371 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.793 -9.485 3.394 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -8.570 -11.433 5.331 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -9.559 -10.140 5.980 1.00 0.00 H new ATOM 0 HE ARG A 95 -10.993 -11.330 3.822 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -9.811 -12.094 7.059 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -11.104 -13.254 7.384 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -12.651 -12.822 4.244 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -12.705 -13.664 5.796 1.00 0.00 H new ATOM 1540 N LEU A 96 -6.550 -8.129 1.843 1.00 0.00 N ATOM 1541 CA LEU A 96 -6.181 -6.717 1.839 1.00 0.00 C ATOM 1542 C LEU A 96 -6.630 -6.041 0.547 1.00 0.00 C ATOM 1543 O LEU A 96 -7.136 -4.919 0.566 1.00 0.00 O ATOM 1544 CB LEU A 96 -4.668 -6.565 2.010 1.00 0.00 C ATOM 1545 CG LEU A 96 -4.113 -6.892 3.396 1.00 0.00 C ATOM 1546 CD1 LEU A 96 -2.597 -7.001 3.351 1.00 0.00 C ATOM 1547 CD2 LEU A 96 -4.545 -5.838 4.405 1.00 0.00 C ATOM 0 H LEU A 96 -5.793 -8.762 2.103 1.00 0.00 H new ATOM 0 HA LEU A 96 -6.685 -6.232 2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.174 -7.208 1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.396 -5.538 1.765 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.516 -7.854 3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.219 -7.234 4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.310 -7.793 2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.174 -6.054 3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.141 -6.087 5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.171 -4.862 4.095 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.633 -5.809 4.457 1.00 0.00 H new ATOM 1559 N ARG A 97 -6.442 -6.731 -0.572 1.00 0.00 N ATOM 1560 CA ARG A 97 -6.828 -6.198 -1.873 1.00 0.00 C ATOM 1561 C ARG A 97 -8.344 -6.055 -1.974 1.00 0.00 C ATOM 1562 O ARG A 97 -8.848 -5.117 -2.590 1.00 0.00 O ATOM 1563 CB ARG A 97 -6.315 -7.105 -2.993 1.00 0.00 C ATOM 1564 CG ARG A 97 -6.615 -6.580 -4.387 1.00 0.00 C ATOM 1565 CD ARG A 97 -6.069 -7.508 -5.462 1.00 0.00 C ATOM 1566 NE ARG A 97 -6.293 -6.982 -6.805 1.00 0.00 N ATOM 1567 CZ ARG A 97 -5.620 -5.956 -7.315 1.00 0.00 C ATOM 1568 NH1 ARG A 97 -4.686 -5.350 -6.596 1.00 0.00 N ATOM 1569 NH2 ARG A 97 -5.882 -5.536 -8.546 1.00 0.00 N ATOM 0 H ARG A 97 -6.024 -7.661 -0.604 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.379 -5.211 -1.980 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.237 -7.228 -2.884 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -6.762 -8.093 -2.882 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.692 -6.471 -4.512 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.179 -5.588 -4.505 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -5.001 -7.656 -5.304 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.543 -8.485 -5.372 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.005 -7.427 -7.384 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -4.483 -5.671 -5.649 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -4.170 -4.563 -6.989 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -6.600 -6.001 -9.101 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -5.365 -4.748 -8.937 1.00 0.00 H new ATOM 1583 N GLU A 98 -9.063 -6.992 -1.364 1.00 0.00 N ATOM 1584 CA GLU A 98 -10.521 -6.970 -1.388 1.00 0.00 C ATOM 1585 C GLU A 98 -11.065 -5.913 -0.431 1.00 0.00 C ATOM 1586 O GLU A 98 -11.666 -4.927 -0.857 1.00 0.00 O ATOM 1587 CB GLU A 98 -11.079 -8.345 -1.016 1.00 0.00 C ATOM 1588 CG GLU A 98 -11.077 -9.336 -2.168 1.00 0.00 C ATOM 1589 CD GLU A 98 -12.125 -9.013 -3.216 1.00 0.00 C ATOM 1590 OE1 GLU A 98 -11.908 -8.063 -3.998 1.00 0.00 O ATOM 1591 OE2 GLU A 98 -13.159 -9.710 -3.256 1.00 0.00 O ATOM 0 H GLU A 98 -8.661 -7.774 -0.848 1.00 0.00 H new ATOM 0 HA GLU A 98 -10.839 -6.718 -2.400 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -10.492 -8.755 -0.194 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.099 -8.227 -0.651 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -10.092 -9.343 -2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.253 -10.339 -1.780 1.00 0.00 H new ATOM 1598 N GLN A 99 -10.849 -6.126 0.863 1.00 0.00 N ATOM 1599 CA GLN A 99 -11.317 -5.193 1.880 1.00 0.00 C ATOM 1600 C GLN A 99 -10.656 -3.829 1.714 1.00 0.00 C ATOM 1601 O GLN A 99 -11.331 -2.805 1.636 1.00 0.00 O ATOM 1602 CB GLN A 99 -11.034 -5.744 3.278 1.00 0.00 C ATOM 1603 CG GLN A 99 -11.655 -7.108 3.531 1.00 0.00 C ATOM 1604 CD GLN A 99 -11.840 -7.401 5.008 1.00 0.00 C ATOM 1605 OE1 GLN A 99 -11.992 -6.487 5.819 1.00 0.00 O ATOM 1606 NE2 GLN A 99 -11.827 -8.679 5.365 1.00 0.00 N ATOM 0 H GLN A 99 -10.353 -6.937 1.232 1.00 0.00 H new ATOM 0 HA GLN A 99 -12.393 -5.072 1.757 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -9.956 -5.813 3.421 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -11.410 -5.040 4.020 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -12.622 -7.161 3.030 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -11.024 -7.878 3.088 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -11.698 -9.404 4.660 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -11.946 -8.936 6.345 1.00 0.00 H new ATOM 1615 N GLY A 100 -9.326 -3.825 1.661 1.00 0.00 N ATOM 1616 CA GLY A 100 -8.594 -2.581 1.505 1.00 0.00 C ATOM 1617 C GLY A 100 -9.205 -1.677 0.453 1.00 0.00 C ATOM 1618 O GLY A 100 -9.272 -0.462 0.631 1.00 0.00 O ATOM 0 H GLY A 100 -8.744 -4.660 1.723 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -8.568 -2.056 2.460 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -7.561 -2.802 1.234 1.00 0.00 H new ATOM 1622 N GLY A 101 -9.650 -2.271 -0.651 1.00 0.00 N ATOM 1623 CA GLY A 101 -10.250 -1.497 -1.721 1.00 0.00 C ATOM 1624 C GLY A 101 -11.212 -0.444 -1.204 1.00 0.00 C ATOM 1625 O GLY A 101 -11.309 0.646 -1.766 1.00 0.00 O ATOM 0 H GLY A 101 -9.605 -3.275 -0.823 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.464 -1.014 -2.301 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.779 -2.168 -2.398 1.00 0.00 H new ATOM 1629 N ALA A 102 -11.926 -0.772 -0.134 1.00 0.00 N ATOM 1630 CA ALA A 102 -12.886 0.152 0.457 1.00 0.00 C ATOM 1631 C ALA A 102 -12.180 1.351 1.081 1.00 0.00 C ATOM 1632 O ALA A 102 -12.691 2.471 1.050 1.00 0.00 O ATOM 1633 CB ALA A 102 -13.735 -0.562 1.499 1.00 0.00 C ATOM 0 H ALA A 102 -11.858 -1.671 0.342 1.00 0.00 H new ATOM 0 HA ALA A 102 -13.537 0.518 -0.337 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.447 0.141 1.932 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -14.276 -1.383 1.028 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.091 -0.956 2.285 1.00 0.00 H new ATOM 1639 N VAL A 103 -11.001 1.111 1.646 1.00 0.00 N ATOM 1640 CA VAL A 103 -10.225 2.172 2.277 1.00 0.00 C ATOM 1641 C VAL A 103 -9.651 3.125 1.235 1.00 0.00 C ATOM 1642 O VAL A 103 -9.567 4.333 1.462 1.00 0.00 O ATOM 1643 CB VAL A 103 -9.071 1.596 3.121 1.00 0.00 C ATOM 1644 CG1 VAL A 103 -8.279 2.718 3.775 1.00 0.00 C ATOM 1645 CG2 VAL A 103 -9.608 0.631 4.168 1.00 0.00 C ATOM 0 H VAL A 103 -10.562 0.191 1.680 1.00 0.00 H new ATOM 0 HA VAL A 103 -10.906 2.718 2.930 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.400 1.045 2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.468 2.294 4.367 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -7.864 3.368 3.004 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.936 3.298 4.423 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -8.780 0.233 4.755 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -10.300 1.156 4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.129 -0.189 3.674 1.00 0.00 H new ATOM 1655 N LEU A 104 -9.257 2.576 0.091 1.00 0.00 N ATOM 1656 CA LEU A 104 -8.689 3.378 -0.988 1.00 0.00 C ATOM 1657 C LEU A 104 -9.790 4.061 -1.793 1.00 0.00 C ATOM 1658 O LEU A 104 -9.572 5.115 -2.391 1.00 0.00 O ATOM 1659 CB LEU A 104 -7.837 2.502 -1.907 1.00 0.00 C ATOM 1660 CG LEU A 104 -6.536 1.966 -1.308 1.00 0.00 C ATOM 1661 CD1 LEU A 104 -5.906 0.938 -2.235 1.00 0.00 C ATOM 1662 CD2 LEU A 104 -5.566 3.105 -1.033 1.00 0.00 C ATOM 0 H LEU A 104 -9.320 1.579 -0.114 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.057 4.147 -0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.441 1.654 -2.230 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -7.592 3.077 -2.800 1.00 0.00 H new ATOM 0 HG LEU A 104 -6.768 1.478 -0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.981 0.568 -1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.597 0.108 -2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.688 1.401 -3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -4.646 2.705 -0.607 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -5.339 3.623 -1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.017 3.805 -0.330 1.00 0.00 H new ATOM 1674 N ARG A 105 -10.973 3.455 -1.803 1.00 0.00 N ATOM 1675 CA ARG A 105 -12.107 4.006 -2.534 1.00 0.00 C ATOM 1676 C ARG A 105 -12.745 5.156 -1.760 1.00 0.00 C ATOM 1677 O ARG A 105 -13.165 6.153 -2.348 1.00 0.00 O ATOM 1678 CB ARG A 105 -13.148 2.916 -2.799 1.00 0.00 C ATOM 1679 CG ARG A 105 -12.918 2.157 -4.095 1.00 0.00 C ATOM 1680 CD ARG A 105 -14.225 1.648 -4.682 1.00 0.00 C ATOM 1681 NE ARG A 105 -14.958 2.700 -5.382 1.00 0.00 N ATOM 1682 CZ ARG A 105 -14.619 3.157 -6.582 1.00 0.00 C ATOM 1683 NH1 ARG A 105 -13.565 2.657 -7.212 1.00 0.00 N ATOM 1684 NH2 ARG A 105 -15.335 4.115 -7.154 1.00 0.00 N ATOM 0 H ARG A 105 -11.171 2.582 -1.313 1.00 0.00 H new ATOM 0 HA ARG A 105 -11.742 4.390 -3.487 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.142 2.210 -1.968 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -14.139 3.370 -2.825 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.423 2.808 -4.816 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -12.248 1.317 -3.912 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -14.018 0.830 -5.372 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -14.847 1.242 -3.884 1.00 0.00 H new ATOM 0 HE ARG A 105 -15.774 3.106 -4.924 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -13.012 1.919 -6.775 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -13.307 3.010 -8.134 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -16.147 4.502 -6.672 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -15.074 4.466 -8.076 1.00 0.00 H new ATOM 1698 N GLN A 106 -12.814 5.009 -0.442 1.00 0.00 N ATOM 1699 CA GLN A 106 -13.403 6.036 0.411 1.00 0.00 C ATOM 1700 C GLN A 106 -12.451 7.215 0.579 1.00 0.00 C ATOM 1701 O GLN A 106 -12.875 8.328 0.889 1.00 0.00 O ATOM 1702 CB GLN A 106 -13.756 5.451 1.779 1.00 0.00 C ATOM 1703 CG GLN A 106 -12.571 5.360 2.726 1.00 0.00 C ATOM 1704 CD GLN A 106 -12.961 4.868 4.106 1.00 0.00 C ATOM 1705 OE1 GLN A 106 -14.145 4.750 4.422 1.00 0.00 O ATOM 1706 NE2 GLN A 106 -11.966 4.580 4.936 1.00 0.00 N ATOM 0 H GLN A 106 -12.470 4.190 0.059 1.00 0.00 H new ATOM 0 HA GLN A 106 -14.314 6.394 -0.069 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -14.531 6.065 2.238 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -14.178 4.455 1.641 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -11.824 4.688 2.303 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -12.105 6.341 2.813 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.999 4.693 4.632 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -12.168 4.246 5.878 1.00 0.00 H new ATOM 1715 N ALA A 107 -11.163 6.964 0.372 1.00 0.00 N ATOM 1716 CA ALA A 107 -10.150 8.005 0.499 1.00 0.00 C ATOM 1717 C ALA A 107 -9.939 8.729 -0.826 1.00 0.00 C ATOM 1718 O ALA A 107 -9.704 9.938 -0.853 1.00 0.00 O ATOM 1719 CB ALA A 107 -8.840 7.411 0.992 1.00 0.00 C ATOM 0 H ALA A 107 -10.796 6.048 0.115 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.503 8.733 1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -8.094 8.200 1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -8.995 6.946 1.965 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -8.491 6.661 0.283 1.00 0.00 H new ATOM 1725 N ARG A 108 -10.023 7.983 -1.923 1.00 0.00 N ATOM 1726 CA ARG A 108 -9.839 8.555 -3.252 1.00 0.00 C ATOM 1727 C ARG A 108 -10.725 9.783 -3.443 1.00 0.00 C ATOM 1728 O ARG A 108 -10.273 10.816 -3.937 1.00 0.00 O ATOM 1729 CB ARG A 108 -10.155 7.514 -4.326 1.00 0.00 C ATOM 1730 CG ARG A 108 -9.639 7.886 -5.707 1.00 0.00 C ATOM 1731 CD ARG A 108 -10.159 6.934 -6.772 1.00 0.00 C ATOM 1732 NE ARG A 108 -9.270 6.867 -7.928 1.00 0.00 N ATOM 1733 CZ ARG A 108 -9.340 5.920 -8.856 1.00 0.00 C ATOM 1734 NH1 ARG A 108 -10.255 4.964 -8.764 1.00 0.00 N ATOM 1735 NH2 ARG A 108 -8.495 5.927 -9.879 1.00 0.00 N ATOM 0 H ARG A 108 -10.217 6.982 -1.918 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.797 8.861 -3.347 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -9.722 6.558 -4.031 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -11.235 7.373 -4.377 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.944 8.904 -5.948 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -8.549 7.871 -5.705 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.272 5.938 -6.344 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -11.149 7.257 -7.094 1.00 0.00 H new ATOM 0 HE ARG A 108 -8.555 7.588 -8.028 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -10.907 4.955 -7.979 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -10.307 4.237 -9.478 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.790 6.661 -9.953 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -8.550 5.199 -10.591 1.00 0.00 H new ATOM 1749 N ARG A 109 -11.988 9.663 -3.048 1.00 0.00 N ATOM 1750 CA ARG A 109 -12.937 10.762 -3.178 1.00 0.00 C ATOM 1751 C ARG A 109 -12.439 12.000 -2.437 1.00 0.00 C ATOM 1752 O ARG A 109 -12.670 13.128 -2.870 1.00 0.00 O ATOM 1753 CB ARG A 109 -14.307 10.347 -2.637 1.00 0.00 C ATOM 1754 CG ARG A 109 -14.461 10.560 -1.140 1.00 0.00 C ATOM 1755 CD ARG A 109 -15.816 10.077 -0.645 1.00 0.00 C ATOM 1756 NE ARG A 109 -16.834 11.119 -0.734 1.00 0.00 N ATOM 1757 CZ ARG A 109 -16.830 12.215 0.015 1.00 0.00 C ATOM 1758 NH1 ARG A 109 -15.866 12.412 0.904 1.00 0.00 N ATOM 1759 NH2 ARG A 109 -17.793 13.119 -0.124 1.00 0.00 N ATOM 0 H ARG A 109 -12.378 8.816 -2.635 1.00 0.00 H new ATOM 0 HA ARG A 109 -13.030 11.006 -4.236 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -15.080 10.913 -3.157 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -14.474 9.294 -2.865 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -13.669 10.028 -0.612 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.344 11.619 -0.908 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -16.129 9.213 -1.231 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -15.727 9.745 0.389 1.00 0.00 H new ATOM 0 HE ARG A 109 -17.590 10.999 -1.408 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -15.124 11.720 1.014 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -15.866 13.255 1.478 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -18.536 12.971 -0.807 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -17.789 13.961 0.452 1.00 0.00 H new ATOM 1773 N GLN A 110 -11.757 11.779 -1.318 1.00 0.00 N ATOM 1774 CA GLN A 110 -11.228 12.877 -0.516 1.00 0.00 C ATOM 1775 C GLN A 110 -10.118 13.610 -1.262 1.00 0.00 C ATOM 1776 O GLN A 110 -10.179 14.824 -1.448 1.00 0.00 O ATOM 1777 CB GLN A 110 -10.702 12.352 0.820 1.00 0.00 C ATOM 1778 CG GLN A 110 -11.677 11.436 1.542 1.00 0.00 C ATOM 1779 CD GLN A 110 -11.428 11.380 3.036 1.00 0.00 C ATOM 1780 OE1 GLN A 110 -11.206 10.308 3.600 1.00 0.00 O ATOM 1781 NE2 GLN A 110 -11.464 12.537 3.687 1.00 0.00 N ATOM 0 H GLN A 110 -11.558 10.850 -0.946 1.00 0.00 H new ATOM 0 HA GLN A 110 -12.039 13.581 -0.327 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -9.770 11.813 0.647 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -10.466 13.198 1.465 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -12.695 11.780 1.360 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -11.601 10.431 1.127 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -11.652 13.402 3.180 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -11.304 12.561 4.694 1.00 0.00 H new ATOM 1790 N ALA A 111 -9.105 12.863 -1.687 1.00 0.00 N ATOM 1791 CA ALA A 111 -7.982 13.440 -2.414 1.00 0.00 C ATOM 1792 C ALA A 111 -8.463 14.258 -3.608 1.00 0.00 C ATOM 1793 O ALA A 111 -7.720 15.077 -4.150 1.00 0.00 O ATOM 1794 CB ALA A 111 -7.029 12.346 -2.872 1.00 0.00 C ATOM 0 H ALA A 111 -9.039 11.856 -1.540 1.00 0.00 H new ATOM 0 HA ALA A 111 -7.450 14.109 -1.738 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -6.195 12.793 -3.414 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -6.650 11.806 -2.004 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.558 11.654 -3.527 1.00 0.00 H new ATOM 1800 N GLU A 112 -9.709 14.031 -4.011 1.00 0.00 N ATOM 1801 CA GLU A 112 -10.287 14.747 -5.142 1.00 0.00 C ATOM 1802 C GLU A 112 -11.120 15.934 -4.667 1.00 0.00 C ATOM 1803 O GLU A 112 -11.093 17.008 -5.269 1.00 0.00 O ATOM 1804 CB GLU A 112 -11.153 13.806 -5.981 1.00 0.00 C ATOM 1805 CG GLU A 112 -10.376 12.665 -6.615 1.00 0.00 C ATOM 1806 CD GLU A 112 -10.978 12.207 -7.928 1.00 0.00 C ATOM 1807 OE1 GLU A 112 -12.219 12.259 -8.063 1.00 0.00 O ATOM 1808 OE2 GLU A 112 -10.209 11.796 -8.822 1.00 0.00 O ATOM 0 H GLU A 112 -10.337 13.358 -3.572 1.00 0.00 H new ATOM 0 HA GLU A 112 -9.469 15.122 -5.757 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.940 13.392 -5.351 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.643 14.381 -6.767 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -9.346 12.981 -6.783 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -10.343 11.824 -5.922 1.00 0.00 H new ATOM 1815 N LYS A 113 -11.860 15.732 -3.582 1.00 0.00 N ATOM 1816 CA LYS A 113 -12.701 16.785 -3.023 1.00 0.00 C ATOM 1817 C LYS A 113 -11.860 17.983 -2.591 1.00 0.00 C ATOM 1818 O LYS A 113 -12.368 19.095 -2.462 1.00 0.00 O ATOM 1819 CB LYS A 113 -13.496 16.250 -1.829 1.00 0.00 C ATOM 1820 CG LYS A 113 -12.786 16.423 -0.498 1.00 0.00 C ATOM 1821 CD LYS A 113 -13.672 16.011 0.665 1.00 0.00 C ATOM 1822 CE LYS A 113 -13.031 16.351 2.002 1.00 0.00 C ATOM 1823 NZ LYS A 113 -13.226 17.783 2.361 1.00 0.00 N ATOM 0 H LYS A 113 -11.895 14.849 -3.072 1.00 0.00 H new ATOM 0 HA LYS A 113 -13.394 17.111 -3.798 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -14.459 16.760 -1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -13.703 15.191 -1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -11.874 15.826 -0.491 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.486 17.464 -0.377 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -14.636 16.513 0.585 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -13.865 14.939 0.615 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -13.458 15.720 2.781 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -11.965 16.129 1.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -12.775 17.975 3.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -12.796 18.386 1.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -14.243 17.989 2.425 1.00 0.00 H new ATOM 1837 N MET A 114 -10.571 17.745 -2.371 1.00 0.00 N ATOM 1838 CA MET A 114 -9.659 18.806 -1.957 1.00 0.00 C ATOM 1839 C MET A 114 -9.796 20.025 -2.864 1.00 0.00 C ATOM 1840 O MET A 114 -10.069 21.130 -2.396 1.00 0.00 O ATOM 1841 CB MET A 114 -8.215 18.302 -1.976 1.00 0.00 C ATOM 1842 CG MET A 114 -7.963 17.142 -1.026 1.00 0.00 C ATOM 1843 SD MET A 114 -7.572 17.686 0.647 1.00 0.00 S ATOM 1844 CE MET A 114 -7.195 16.120 1.433 1.00 0.00 C ATOM 0 H MET A 114 -10.135 16.829 -2.472 1.00 0.00 H new ATOM 0 HA MET A 114 -9.921 19.100 -0.941 1.00 0.00 H new ATOM 0 HB2 MET A 114 -7.960 17.993 -2.990 1.00 0.00 H new ATOM 0 HB3 MET A 114 -7.548 19.125 -1.717 1.00 0.00 H new ATOM 0 HG2 MET A 114 -8.845 16.502 -0.999 1.00 0.00 H new ATOM 0 HG3 MET A 114 -7.141 16.537 -1.408 1.00 0.00 H new ATOM 0 HE1 MET A 114 -6.668 16.301 2.370 1.00 0.00 H new ATOM 0 HE2 MET A 114 -8.121 15.582 1.635 1.00 0.00 H new ATOM 0 HE3 MET A 114 -6.566 15.523 0.772 1.00 0.00 H new