USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 719 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 65 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0.28) USER MOD Set 1.2: A 70 SER OG : rot -56:sc= 0.28 USER MOD Set 2.1: A 59 GLN : amide:sc= -1.56 K(o=-12,f=-15!) USER MOD Set 2.2: A 62 MET CE :methyl -160:sc= -10.4! (180deg=-11.8!) USER MOD Set 3.1: A 18 CYS SG : rot 34:sc= -3.57! USER MOD Set 3.2: A 23 MET CE :methyl 133:sc= -17.5! (180deg=-20.9!) USER MOD Single : A 7 TYR OH : rot 83:sc= 1.14 USER MOD Single : A 11 MET CE :methyl -175:sc= -7.15! (180deg=-7.37!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -1.7 K(o=-1.7,f=-4.8!) USER MOD Single : A 19 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.323) USER MOD Single : A 20 LYS NZ :NH3+ 142:sc= 1.05 (180deg=-0.376) USER MOD Single : A 22 ASN : amide:sc= -0.145 K(o=-0.14,f=-1.4!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 82:sc= 1.17 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -1.17 K(o=-1.2,f=-2.1!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 73:sc= 0.423 USER MOD Single : A 43 MET CE :methyl 139:sc= -14.2! (180deg=-17!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -171:sc= -6.11! (180deg=-6.7!) USER MOD Single : A 53 GLN : amide:sc= -0.0117 X(o=-0.012,f=-0.21) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.225 USER MOD Single : A 57 THR OG1 : rot 153:sc= 2.08 USER MOD Single : A 58 GLN : amide:sc= -0.524 K(o=-0.52,f=-1.3) USER MOD Single : A 61 SER OG : rot -121:sc= -1.13 USER MOD Single : A 68 GLN : amide:sc= -0.0876 X(o=-0.088,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN :FLIP amide:sc= -0.306 F(o=-2.9,f=-0.31) USER MOD Single : A 74 GLN : amide:sc= -0.688 K(o=-0.69,f=-5.3!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -102:sc= 1.29 USER MOD Single : A 86 TYR OH : rot -169:sc= 1.53 USER MOD Single : A 89 HIS : no HD1:sc=-8.07e-05 X(o=-8.1e-05,f=-0.097) USER MOD ----------------------------------------------------------------- ATOM 68 N TYR A 7 4.713 10.432 9.004 1.00 0.00 N ATOM 69 CA TYR A 7 5.008 9.214 8.269 1.00 0.00 C ATOM 70 C TYR A 7 4.713 7.982 9.110 1.00 0.00 C ATOM 71 O TYR A 7 4.000 7.079 8.680 1.00 0.00 O ATOM 72 CB TYR A 7 6.473 9.215 7.829 1.00 0.00 C ATOM 73 CG TYR A 7 7.474 8.981 8.940 1.00 0.00 C ATOM 74 CD1 TYR A 7 7.997 10.044 9.666 1.00 0.00 C ATOM 75 CD2 TYR A 7 7.897 7.697 9.260 1.00 0.00 C ATOM 76 CE1 TYR A 7 8.913 9.834 10.678 1.00 0.00 C ATOM 77 CE2 TYR A 7 8.813 7.479 10.271 1.00 0.00 C ATOM 78 CZ TYR A 7 9.318 8.550 10.977 1.00 0.00 C ATOM 79 OH TYR A 7 10.231 8.337 11.985 1.00 0.00 O ATOM 0 HA TYR A 7 4.367 9.181 7.388 1.00 0.00 H new ATOM 0 HB2 TYR A 7 6.609 8.445 7.069 1.00 0.00 H new ATOM 0 HB3 TYR A 7 6.694 10.172 7.356 1.00 0.00 H new ATOM 0 HD1 TYR A 7 7.682 11.051 9.435 1.00 0.00 H new ATOM 0 HD2 TYR A 7 7.503 6.855 8.709 1.00 0.00 H new ATOM 0 HE1 TYR A 7 9.310 10.671 11.233 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.132 6.475 10.507 1.00 0.00 H new ATOM 0 HH TYR A 7 9.769 8.331 12.849 1.00 0.00 H new ATOM 89 N GLU A 8 5.279 7.955 10.304 1.00 0.00 N ATOM 90 CA GLU A 8 5.100 6.834 11.225 1.00 0.00 C ATOM 91 C GLU A 8 3.627 6.452 11.375 1.00 0.00 C ATOM 92 O GLU A 8 3.235 5.332 11.048 1.00 0.00 O ATOM 93 CB GLU A 8 5.698 7.172 12.592 1.00 0.00 C ATOM 94 CG GLU A 8 6.778 6.199 13.034 1.00 0.00 C ATOM 95 CD GLU A 8 7.925 6.884 13.749 1.00 0.00 C ATOM 96 OE1 GLU A 8 8.202 8.061 13.436 1.00 0.00 O ATOM 97 OE2 GLU A 8 8.547 6.244 14.623 1.00 0.00 O ATOM 0 H GLU A 8 5.873 8.702 10.665 1.00 0.00 H new ATOM 0 HA GLU A 8 5.624 5.975 10.804 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.117 8.178 12.559 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.902 7.183 13.336 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.339 5.451 13.694 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.163 5.669 12.163 1.00 0.00 H new ATOM 104 N LEU A 9 2.815 7.382 11.874 1.00 0.00 N ATOM 105 CA LEU A 9 1.388 7.128 12.065 1.00 0.00 C ATOM 106 C LEU A 9 0.763 6.574 10.791 1.00 0.00 C ATOM 107 O LEU A 9 0.262 5.449 10.768 1.00 0.00 O ATOM 108 CB LEU A 9 0.667 8.411 12.482 1.00 0.00 C ATOM 109 CG LEU A 9 1.240 9.100 13.720 1.00 0.00 C ATOM 110 CD1 LEU A 9 0.527 10.420 13.974 1.00 0.00 C ATOM 111 CD2 LEU A 9 1.131 8.190 14.934 1.00 0.00 C ATOM 0 H LEU A 9 3.119 8.315 12.153 1.00 0.00 H new ATOM 0 HA LEU A 9 1.280 6.387 12.858 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.695 9.113 11.648 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.381 8.177 12.667 1.00 0.00 H new ATOM 0 HG LEU A 9 2.295 9.309 13.541 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.948 10.897 14.859 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.657 11.075 13.113 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.535 10.235 14.132 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.544 8.696 15.807 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.083 7.950 15.116 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.688 7.271 14.751 1.00 0.00 H new ATOM 123 N PHE A 10 0.811 7.368 9.728 1.00 0.00 N ATOM 124 CA PHE A 10 0.264 6.958 8.439 1.00 0.00 C ATOM 125 C PHE A 10 0.858 5.612 8.020 1.00 0.00 C ATOM 126 O PHE A 10 0.162 4.735 7.496 1.00 0.00 O ATOM 127 CB PHE A 10 0.560 8.030 7.387 1.00 0.00 C ATOM 128 CG PHE A 10 0.225 7.616 5.984 1.00 0.00 C ATOM 129 CD1 PHE A 10 1.167 6.975 5.200 1.00 0.00 C ATOM 130 CD2 PHE A 10 -1.028 7.871 5.451 1.00 0.00 C ATOM 131 CE1 PHE A 10 0.867 6.594 3.909 1.00 0.00 C ATOM 132 CE2 PHE A 10 -1.334 7.492 4.159 1.00 0.00 C ATOM 133 CZ PHE A 10 -0.385 6.852 3.386 1.00 0.00 C ATOM 0 H PHE A 10 1.224 8.301 9.733 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.816 6.843 8.527 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.002 8.931 7.633 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.617 8.290 7.436 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.148 6.771 5.603 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.773 8.371 6.052 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.611 6.094 3.307 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.314 7.696 3.753 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.621 6.554 2.375 1.00 0.00 H new ATOM 143 N MET A 11 2.149 5.449 8.283 1.00 0.00 N ATOM 144 CA MET A 11 2.837 4.210 7.966 1.00 0.00 C ATOM 145 C MET A 11 2.207 3.069 8.747 1.00 0.00 C ATOM 146 O MET A 11 1.960 1.990 8.210 1.00 0.00 O ATOM 147 CB MET A 11 4.325 4.322 8.305 1.00 0.00 C ATOM 148 CG MET A 11 5.168 4.876 7.168 1.00 0.00 C ATOM 149 SD MET A 11 5.225 3.771 5.744 1.00 0.00 S ATOM 150 CE MET A 11 5.517 2.199 6.550 1.00 0.00 C ATOM 0 H MET A 11 2.738 6.161 8.715 1.00 0.00 H new ATOM 0 HA MET A 11 2.743 4.014 6.898 1.00 0.00 H new ATOM 0 HB2 MET A 11 4.443 4.963 9.179 1.00 0.00 H new ATOM 0 HB3 MET A 11 4.702 3.337 8.579 1.00 0.00 H new ATOM 0 HG2 MET A 11 4.765 5.841 6.859 1.00 0.00 H new ATOM 0 HG3 MET A 11 6.182 5.054 7.526 1.00 0.00 H new ATOM 0 HE1 MET A 11 5.666 1.426 5.796 1.00 0.00 H new ATOM 0 HE2 MET A 11 6.406 2.271 7.177 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.657 1.942 7.169 1.00 0.00 H new ATOM 160 N LYS A 12 1.928 3.330 10.023 1.00 0.00 N ATOM 161 CA LYS A 12 1.306 2.346 10.891 1.00 0.00 C ATOM 162 C LYS A 12 0.096 1.722 10.207 1.00 0.00 C ATOM 163 O LYS A 12 -0.169 0.531 10.360 1.00 0.00 O ATOM 164 CB LYS A 12 0.887 3.001 12.205 1.00 0.00 C ATOM 165 CG LYS A 12 0.955 2.062 13.391 1.00 0.00 C ATOM 166 CD LYS A 12 0.815 2.810 14.707 1.00 0.00 C ATOM 167 CE LYS A 12 2.165 3.022 15.373 1.00 0.00 C ATOM 168 NZ LYS A 12 2.094 4.030 16.467 1.00 0.00 N ATOM 0 H LYS A 12 2.126 4.222 10.476 1.00 0.00 H new ATOM 0 HA LYS A 12 2.029 1.558 11.101 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.528 3.862 12.395 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -0.131 3.378 12.107 1.00 0.00 H new ATOM 0 HG2 LYS A 12 0.165 1.316 13.310 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.903 1.525 13.376 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.340 3.775 14.530 1.00 0.00 H new ATOM 0 HD3 LYS A 12 0.161 2.251 15.377 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.524 2.075 15.775 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.890 3.347 14.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.035 4.145 16.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.776 4.941 16.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 1.421 3.709 17.192 1.00 0.00 H new ATOM 182 N SER A 13 -0.625 2.535 9.441 1.00 0.00 N ATOM 183 CA SER A 13 -1.797 2.059 8.718 1.00 0.00 C ATOM 184 C SER A 13 -1.391 0.979 7.720 1.00 0.00 C ATOM 185 O SER A 13 -1.897 -0.142 7.768 1.00 0.00 O ATOM 186 CB SER A 13 -2.494 3.214 7.997 1.00 0.00 C ATOM 187 OG SER A 13 -3.717 3.546 8.631 1.00 0.00 O ATOM 0 H SER A 13 -0.418 3.525 9.306 1.00 0.00 H new ATOM 0 HA SER A 13 -2.498 1.633 9.436 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.840 4.086 7.982 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.682 2.939 6.959 1.00 0.00 H new ATOM 0 HG SER A 13 -4.143 4.288 8.153 1.00 0.00 H new ATOM 193 N LEU A 14 -0.457 1.313 6.828 1.00 0.00 N ATOM 194 CA LEU A 14 0.024 0.346 5.843 1.00 0.00 C ATOM 195 C LEU A 14 0.586 -0.884 6.564 1.00 0.00 C ATOM 196 O LEU A 14 0.258 -2.021 6.217 1.00 0.00 O ATOM 197 CB LEU A 14 1.082 0.997 4.929 1.00 0.00 C ATOM 198 CG LEU A 14 2.315 0.156 4.568 1.00 0.00 C ATOM 199 CD1 LEU A 14 3.279 0.087 5.737 1.00 0.00 C ATOM 200 CD2 LEU A 14 1.922 -1.241 4.121 1.00 0.00 C ATOM 0 H LEU A 14 -0.024 2.234 6.768 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.804 0.024 5.212 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.591 1.291 4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.427 1.912 5.411 1.00 0.00 H new ATOM 0 HG LEU A 14 2.815 0.646 3.733 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.145 -0.514 5.459 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.605 1.093 6.000 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.781 -0.369 6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.818 -1.809 3.873 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.385 -1.743 4.926 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.280 -1.175 3.243 1.00 0.00 H new ATOM 212 N ILE A 15 1.429 -0.656 7.572 1.00 0.00 N ATOM 213 CA ILE A 15 2.015 -1.762 8.318 1.00 0.00 C ATOM 214 C ILE A 15 0.946 -2.513 9.097 1.00 0.00 C ATOM 215 O ILE A 15 1.093 -3.699 9.388 1.00 0.00 O ATOM 216 CB ILE A 15 3.125 -1.314 9.287 1.00 0.00 C ATOM 217 CG1 ILE A 15 4.084 -0.338 8.599 1.00 0.00 C ATOM 218 CG2 ILE A 15 3.881 -2.535 9.796 1.00 0.00 C ATOM 219 CD1 ILE A 15 5.239 0.094 9.476 1.00 0.00 C ATOM 0 H ILE A 15 1.716 0.271 7.885 1.00 0.00 H new ATOM 0 HA ILE A 15 2.468 -2.418 7.575 1.00 0.00 H new ATOM 0 HB ILE A 15 2.669 -0.798 10.132 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.479 -0.805 7.696 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.527 0.545 8.284 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.666 -2.217 10.482 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.191 -3.199 10.317 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.327 -3.064 8.954 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.877 0.784 8.924 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.854 0.590 10.367 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.820 -0.780 9.770 1.00 0.00 H new ATOM 231 N GLU A 16 -0.144 -1.826 9.414 1.00 0.00 N ATOM 232 CA GLU A 16 -1.236 -2.445 10.123 1.00 0.00 C ATOM 233 C GLU A 16 -1.897 -3.453 9.195 1.00 0.00 C ATOM 234 O GLU A 16 -2.279 -4.543 9.608 1.00 0.00 O ATOM 235 CB GLU A 16 -2.226 -1.366 10.577 1.00 0.00 C ATOM 236 CG GLU A 16 -3.684 -1.769 10.462 1.00 0.00 C ATOM 237 CD GLU A 16 -4.586 -0.977 11.388 1.00 0.00 C ATOM 238 OE1 GLU A 16 -4.205 0.151 11.767 1.00 0.00 O ATOM 239 OE2 GLU A 16 -5.673 -1.485 11.735 1.00 0.00 O ATOM 0 H GLU A 16 -0.287 -0.842 9.188 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.880 -2.964 11.013 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.013 -1.107 11.614 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.062 -0.466 9.984 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.015 -1.630 9.433 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.782 -2.831 10.687 1.00 0.00 H new ATOM 246 N ASN A 17 -2.000 -3.067 7.926 1.00 0.00 N ATOM 247 CA ASN A 17 -2.586 -3.909 6.891 1.00 0.00 C ATOM 248 C ASN A 17 -1.946 -5.288 6.881 1.00 0.00 C ATOM 249 O ASN A 17 -2.613 -6.292 7.125 1.00 0.00 O ATOM 250 CB ASN A 17 -2.406 -3.234 5.546 1.00 0.00 C ATOM 251 CG ASN A 17 -3.582 -3.459 4.616 1.00 0.00 C ATOM 252 OD1 ASN A 17 -3.638 -4.456 3.896 1.00 0.00 O ATOM 253 ND2 ASN A 17 -4.531 -2.529 4.628 1.00 0.00 N ATOM 0 H ASN A 17 -1.679 -2.160 7.588 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.648 -4.040 7.098 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.267 -2.163 5.697 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.498 -3.610 5.074 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.347 -2.626 4.024 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -4.443 -1.719 5.241 1.00 0.00 H new ATOM 260 N CYS A 18 -0.644 -5.333 6.619 1.00 0.00 N ATOM 261 CA CYS A 18 0.077 -6.601 6.607 1.00 0.00 C ATOM 262 C CYS A 18 -0.137 -7.329 7.922 1.00 0.00 C ATOM 263 O CYS A 18 -0.362 -8.534 7.939 1.00 0.00 O ATOM 264 CB CYS A 18 1.573 -6.382 6.341 1.00 0.00 C ATOM 265 SG CYS A 18 2.292 -4.953 7.177 1.00 0.00 S ATOM 0 H CYS A 18 -0.071 -4.515 6.414 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.315 -7.216 5.797 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.116 -7.276 6.648 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.724 -6.270 5.267 1.00 0.00 H new ATOM 0 HG CYS A 18 1.709 -4.784 8.327 1.00 0.00 H new ATOM 271 N LYS A 19 -0.095 -6.589 9.022 1.00 0.00 N ATOM 272 CA LYS A 19 -0.309 -7.180 10.337 1.00 0.00 C ATOM 273 C LYS A 19 -1.794 -7.319 10.640 1.00 0.00 C ATOM 274 O LYS A 19 -2.172 -7.736 11.735 1.00 0.00 O ATOM 275 CB LYS A 19 0.365 -6.336 11.424 1.00 0.00 C ATOM 276 CG LYS A 19 1.804 -6.733 11.715 1.00 0.00 C ATOM 277 CD LYS A 19 2.779 -5.630 11.333 1.00 0.00 C ATOM 278 CE LYS A 19 2.721 -4.469 12.315 1.00 0.00 C ATOM 279 NZ LYS A 19 4.080 -4.027 12.732 1.00 0.00 N ATOM 0 H LYS A 19 0.084 -5.585 9.031 1.00 0.00 H new ATOM 0 HA LYS A 19 0.138 -8.174 10.330 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.342 -5.289 11.122 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.216 -6.416 12.343 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.911 -6.963 12.775 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.049 -7.642 11.166 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.792 -6.032 11.303 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.549 -5.271 10.330 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.192 -3.633 11.858 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.150 -4.766 13.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.022 -3.080 13.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.464 -4.696 13.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.705 -3.996 11.901 1.00 0.00 H new ATOM 293 N LYS A 20 -2.636 -6.977 9.672 1.00 0.00 N ATOM 294 CA LYS A 20 -4.069 -7.079 9.862 1.00 0.00 C ATOM 295 C LYS A 20 -4.731 -7.834 8.712 1.00 0.00 C ATOM 296 O LYS A 20 -5.956 -7.923 8.641 1.00 0.00 O ATOM 297 CB LYS A 20 -4.700 -5.685 10.024 1.00 0.00 C ATOM 298 CG LYS A 20 -4.845 -4.898 8.718 1.00 0.00 C ATOM 299 CD LYS A 20 -6.281 -4.446 8.497 1.00 0.00 C ATOM 300 CE LYS A 20 -7.108 -5.524 7.814 1.00 0.00 C ATOM 301 NZ LYS A 20 -7.927 -6.300 8.788 1.00 0.00 N ATOM 0 H LYS A 20 -2.350 -6.630 8.757 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.240 -7.645 10.778 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.685 -5.796 10.478 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.093 -5.104 10.718 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.188 -4.029 8.741 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.524 -5.518 7.881 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.734 -4.191 9.455 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.289 -3.541 7.890 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.763 -5.064 7.074 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.446 -6.202 7.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.853 -6.517 8.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.438 -7.187 9.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.062 -5.738 9.653 1.00 0.00 H new ATOM 315 N ARG A 21 -3.917 -8.374 7.813 1.00 0.00 N ATOM 316 CA ARG A 21 -4.426 -9.113 6.672 1.00 0.00 C ATOM 317 C ARG A 21 -3.980 -10.569 6.720 1.00 0.00 C ATOM 318 O ARG A 21 -4.719 -11.467 6.316 1.00 0.00 O ATOM 319 CB ARG A 21 -3.939 -8.461 5.379 1.00 0.00 C ATOM 320 CG ARG A 21 -4.392 -9.183 4.120 1.00 0.00 C ATOM 321 CD ARG A 21 -3.265 -9.287 3.106 1.00 0.00 C ATOM 322 NE ARG A 21 -3.356 -8.248 2.085 1.00 0.00 N ATOM 323 CZ ARG A 21 -2.718 -8.298 0.919 1.00 0.00 C ATOM 324 NH1 ARG A 21 -1.941 -9.332 0.622 1.00 0.00 N ATOM 325 NH2 ARG A 21 -2.858 -7.310 0.047 1.00 0.00 N ATOM 0 H ARG A 21 -2.900 -8.312 7.855 1.00 0.00 H new ATOM 0 HA ARG A 21 -5.515 -9.091 6.705 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -4.296 -7.432 5.345 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.850 -8.420 5.391 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.745 -10.181 4.378 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.234 -8.652 3.677 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -2.306 -9.209 3.619 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.293 -10.267 2.630 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.943 -7.436 2.277 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.830 -10.095 1.290 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.455 -9.364 -0.274 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.454 -6.513 0.271 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.370 -7.346 -0.848 1.00 0.00 H new ATOM 339 N ASN A 22 -2.760 -10.798 7.201 1.00 0.00 N ATOM 340 CA ASN A 22 -2.213 -12.149 7.282 1.00 0.00 C ATOM 341 C ASN A 22 -0.757 -12.140 7.723 1.00 0.00 C ATOM 342 O ASN A 22 -0.089 -13.174 7.734 1.00 0.00 O ATOM 343 CB ASN A 22 -2.311 -12.812 5.918 1.00 0.00 C ATOM 344 CG ASN A 22 -3.082 -14.118 5.952 1.00 0.00 C ATOM 345 OD1 ASN A 22 -3.196 -14.758 6.997 1.00 0.00 O ATOM 346 ND2 ASN A 22 -3.614 -14.520 4.804 1.00 0.00 N ATOM 0 H ASN A 22 -2.134 -10.068 7.539 1.00 0.00 H new ATOM 0 HA ASN A 22 -2.791 -12.702 8.022 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.795 -12.128 5.221 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.307 -12.998 5.537 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.142 -15.392 4.764 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.494 -13.957 3.962 1.00 0.00 H new ATOM 353 N MET A 23 -0.277 -10.964 8.066 1.00 0.00 N ATOM 354 CA MET A 23 1.093 -10.771 8.490 1.00 0.00 C ATOM 355 C MET A 23 2.084 -11.543 7.619 1.00 0.00 C ATOM 356 O MET A 23 2.957 -12.245 8.131 1.00 0.00 O ATOM 357 CB MET A 23 1.249 -11.153 9.956 1.00 0.00 C ATOM 358 CG MET A 23 2.161 -10.230 10.763 1.00 0.00 C ATOM 359 SD MET A 23 3.491 -9.481 9.791 1.00 0.00 S ATOM 360 CE MET A 23 2.581 -8.238 8.874 1.00 0.00 C ATOM 0 H MET A 23 -0.831 -10.108 8.058 1.00 0.00 H new ATOM 0 HA MET A 23 1.326 -9.713 8.371 1.00 0.00 H new ATOM 0 HB2 MET A 23 0.263 -11.165 10.421 1.00 0.00 H new ATOM 0 HB3 MET A 23 1.640 -12.169 10.013 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.558 -9.438 11.207 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.599 -10.796 11.585 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.112 -7.287 8.924 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.490 -8.548 7.833 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.587 -8.122 9.307 1.00 0.00 H new ATOM 370 N PRO A 24 1.973 -11.412 6.282 1.00 0.00 N ATOM 371 CA PRO A 24 2.868 -12.083 5.345 1.00 0.00 C ATOM 372 C PRO A 24 4.104 -11.246 5.035 1.00 0.00 C ATOM 373 O PRO A 24 4.704 -11.374 3.968 1.00 0.00 O ATOM 374 CB PRO A 24 1.992 -12.210 4.106 1.00 0.00 C ATOM 375 CG PRO A 24 1.181 -10.957 4.113 1.00 0.00 C ATOM 376 CD PRO A 24 0.973 -10.591 5.566 1.00 0.00 C ATOM 0 HA PRO A 24 3.254 -13.028 5.728 1.00 0.00 H new ATOM 0 HB2 PRO A 24 2.591 -12.294 3.199 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.359 -13.096 4.153 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.697 -10.158 3.581 1.00 0.00 H new ATOM 0 HG3 PRO A 24 0.226 -11.110 3.610 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.132 -9.526 5.737 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.041 -10.818 5.895 1.00 0.00 H new ATOM 384 N LEU A 25 4.470 -10.380 5.973 1.00 0.00 N ATOM 385 CA LEU A 25 5.625 -9.509 5.802 1.00 0.00 C ATOM 386 C LEU A 25 6.699 -9.802 6.845 1.00 0.00 C ATOM 387 O LEU A 25 7.695 -10.465 6.556 1.00 0.00 O ATOM 388 CB LEU A 25 5.198 -8.038 5.890 1.00 0.00 C ATOM 389 CG LEU A 25 4.679 -7.430 4.583 1.00 0.00 C ATOM 390 CD1 LEU A 25 3.425 -8.155 4.119 1.00 0.00 C ATOM 391 CD2 LEU A 25 4.406 -5.938 4.755 1.00 0.00 C ATOM 0 H LEU A 25 3.982 -10.263 6.861 1.00 0.00 H new ATOM 0 HA LEU A 25 6.047 -9.703 4.816 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.420 -7.947 6.648 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.049 -7.449 6.233 1.00 0.00 H new ATOM 0 HG LEU A 25 5.447 -7.550 3.819 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.070 -7.710 3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.654 -9.208 3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.651 -8.068 4.882 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.038 -5.525 3.816 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.657 -5.793 5.533 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.328 -5.430 5.039 1.00 0.00 H new ATOM 403 N GLN A 26 6.500 -9.282 8.054 1.00 0.00 N ATOM 404 CA GLN A 26 7.462 -9.464 9.140 1.00 0.00 C ATOM 405 C GLN A 26 8.742 -8.683 8.849 1.00 0.00 C ATOM 406 O GLN A 26 9.752 -8.839 9.536 1.00 0.00 O ATOM 407 CB GLN A 26 7.782 -10.950 9.336 1.00 0.00 C ATOM 408 CG GLN A 26 7.231 -11.526 10.630 1.00 0.00 C ATOM 409 CD GLN A 26 6.663 -12.920 10.452 1.00 0.00 C ATOM 410 OE1 GLN A 26 7.362 -13.838 10.024 1.00 0.00 O ATOM 411 NE2 GLN A 26 5.387 -13.085 10.780 1.00 0.00 N ATOM 0 H GLN A 26 5.680 -8.730 8.307 1.00 0.00 H new ATOM 0 HA GLN A 26 7.018 -9.083 10.060 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.377 -11.514 8.496 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.863 -11.085 9.319 1.00 0.00 H new ATOM 0 HG2 GLN A 26 8.024 -11.553 11.378 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.453 -10.867 11.014 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.845 -12.296 11.131 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.949 -14.001 10.681 1.00 0.00 H new ATOM 420 N SER A 27 8.683 -7.846 7.813 1.00 0.00 N ATOM 421 CA SER A 27 9.809 -7.028 7.385 1.00 0.00 C ATOM 422 C SER A 27 9.555 -6.526 5.970 1.00 0.00 C ATOM 423 O SER A 27 9.486 -7.316 5.029 1.00 0.00 O ATOM 424 CB SER A 27 11.104 -7.834 7.421 1.00 0.00 C ATOM 425 OG SER A 27 11.796 -7.640 8.642 1.00 0.00 O ATOM 0 H SER A 27 7.845 -7.718 7.246 1.00 0.00 H new ATOM 0 HA SER A 27 9.911 -6.182 8.065 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.880 -8.893 7.292 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.742 -7.539 6.588 1.00 0.00 H new ATOM 0 HG SER A 27 11.415 -8.224 9.330 1.00 0.00 H new ATOM 431 N ILE A 28 9.404 -5.218 5.820 1.00 0.00 N ATOM 432 CA ILE A 28 9.143 -4.641 4.508 1.00 0.00 C ATOM 433 C ILE A 28 10.330 -4.869 3.579 1.00 0.00 C ATOM 434 O ILE A 28 11.480 -4.704 3.987 1.00 0.00 O ATOM 435 CB ILE A 28 8.842 -3.125 4.568 1.00 0.00 C ATOM 436 CG1 ILE A 28 8.324 -2.706 5.947 1.00 0.00 C ATOM 437 CG2 ILE A 28 7.832 -2.753 3.493 1.00 0.00 C ATOM 438 CD1 ILE A 28 7.212 -3.589 6.478 1.00 0.00 C ATOM 0 H ILE A 28 9.457 -4.542 6.582 1.00 0.00 H new ATOM 0 HA ILE A 28 8.256 -5.146 4.125 1.00 0.00 H new ATOM 0 HB ILE A 28 9.775 -2.591 4.389 1.00 0.00 H new ATOM 0 HG12 ILE A 28 9.153 -2.717 6.655 1.00 0.00 H new ATOM 0 HG13 ILE A 28 7.965 -1.678 5.893 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.626 -1.684 3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.238 -3.000 2.512 1.00 0.00 H new ATOM 0 HG23 ILE A 28 6.908 -3.309 3.654 1.00 0.00 H new ATOM 0 HD11 ILE A 28 6.898 -3.229 7.458 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.365 -3.560 5.792 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.572 -4.614 6.566 1.00 0.00 H new ATOM 450 N PRO A 29 10.075 -5.255 2.316 1.00 0.00 N ATOM 451 CA PRO A 29 11.139 -5.504 1.340 1.00 0.00 C ATOM 452 C PRO A 29 11.892 -4.228 0.970 1.00 0.00 C ATOM 453 O PRO A 29 11.902 -3.824 -0.190 1.00 0.00 O ATOM 454 CB PRO A 29 10.396 -6.061 0.114 1.00 0.00 C ATOM 455 CG PRO A 29 9.034 -6.422 0.603 1.00 0.00 C ATOM 456 CD PRO A 29 8.742 -5.487 1.739 1.00 0.00 C ATOM 0 HA PRO A 29 11.895 -6.183 1.734 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.343 -5.319 -0.683 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.910 -6.931 -0.294 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.294 -6.316 -0.190 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.000 -7.460 0.933 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.283 -4.561 1.394 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.059 -5.930 2.463 1.00 0.00 H new ATOM 464 N GLU A 30 12.520 -3.600 1.968 1.00 0.00 N ATOM 465 CA GLU A 30 13.283 -2.366 1.762 1.00 0.00 C ATOM 466 C GLU A 30 13.948 -2.348 0.385 1.00 0.00 C ATOM 467 O GLU A 30 14.856 -3.133 0.115 1.00 0.00 O ATOM 468 CB GLU A 30 14.347 -2.219 2.852 1.00 0.00 C ATOM 469 CG GLU A 30 13.789 -1.758 4.189 1.00 0.00 C ATOM 470 CD GLU A 30 14.876 -1.414 5.188 1.00 0.00 C ATOM 471 OE1 GLU A 30 15.844 -2.194 5.305 1.00 0.00 O ATOM 472 OE2 GLU A 30 14.758 -0.364 5.855 1.00 0.00 O ATOM 0 H GLU A 30 12.514 -3.929 2.933 1.00 0.00 H new ATOM 0 HA GLU A 30 12.588 -1.528 1.816 1.00 0.00 H new ATOM 0 HB2 GLU A 30 14.850 -3.176 2.988 1.00 0.00 H new ATOM 0 HB3 GLU A 30 15.102 -1.507 2.518 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.155 -0.885 4.032 1.00 0.00 H new ATOM 0 HG3 GLU A 30 13.155 -2.542 4.603 1.00 0.00 H new ATOM 479 N ILE A 31 13.484 -1.455 -0.485 1.00 0.00 N ATOM 480 CA ILE A 31 14.032 -1.349 -1.835 1.00 0.00 C ATOM 481 C ILE A 31 14.982 -0.162 -1.946 1.00 0.00 C ATOM 482 O ILE A 31 14.563 0.957 -2.244 1.00 0.00 O ATOM 483 CB ILE A 31 12.917 -1.209 -2.898 1.00 0.00 C ATOM 484 CG1 ILE A 31 11.711 -2.084 -2.538 1.00 0.00 C ATOM 485 CG2 ILE A 31 13.446 -1.583 -4.278 1.00 0.00 C ATOM 486 CD1 ILE A 31 10.808 -1.477 -1.484 1.00 0.00 C ATOM 0 H ILE A 31 12.733 -0.796 -0.281 1.00 0.00 H new ATOM 0 HA ILE A 31 14.580 -2.272 -2.025 1.00 0.00 H new ATOM 0 HB ILE A 31 12.594 -0.168 -2.917 1.00 0.00 H new ATOM 0 HG12 ILE A 31 11.127 -2.271 -3.439 1.00 0.00 H new ATOM 0 HG13 ILE A 31 12.068 -3.051 -2.184 1.00 0.00 H new ATOM 0 HG21 ILE A 31 12.649 -1.479 -5.014 1.00 0.00 H new ATOM 0 HG22 ILE A 31 14.272 -0.923 -4.542 1.00 0.00 H new ATOM 0 HG23 ILE A 31 13.796 -2.615 -4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.978 -2.154 -1.283 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.376 -1.316 -0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 31 10.420 -0.524 -1.843 1.00 0.00 H new ATOM 498 N GLY A 32 16.265 -0.414 -1.703 1.00 0.00 N ATOM 499 CA GLY A 32 17.258 0.643 -1.779 1.00 0.00 C ATOM 500 C GLY A 32 18.108 0.747 -0.523 1.00 0.00 C ATOM 501 O GLY A 32 18.977 1.614 -0.428 1.00 0.00 O ATOM 0 H GLY A 32 16.635 -1.332 -1.455 1.00 0.00 H new ATOM 0 HA2 GLY A 32 17.906 0.465 -2.637 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.756 1.595 -1.952 1.00 0.00 H new ATOM 505 N ASN A 33 17.860 -0.136 0.444 1.00 0.00 N ATOM 506 CA ASN A 33 18.610 -0.137 1.697 1.00 0.00 C ATOM 507 C ASN A 33 18.209 1.048 2.571 1.00 0.00 C ATOM 508 O ASN A 33 19.049 1.855 2.968 1.00 0.00 O ATOM 509 CB ASN A 33 20.114 -0.102 1.421 1.00 0.00 C ATOM 510 CG ASN A 33 20.933 -0.559 2.613 1.00 0.00 C ATOM 511 OD1 ASN A 33 21.621 0.239 3.250 1.00 0.00 O ATOM 512 ND2 ASN A 33 20.862 -1.849 2.921 1.00 0.00 N ATOM 0 H ASN A 33 17.144 -0.860 0.382 1.00 0.00 H new ATOM 0 HA ASN A 33 18.372 -1.056 2.232 1.00 0.00 H new ATOM 0 HB2 ASN A 33 20.338 -0.738 0.565 1.00 0.00 H new ATOM 0 HB3 ASN A 33 20.407 0.912 1.150 1.00 0.00 H new ATOM 0 HD21 ASN A 33 21.391 -2.214 3.713 1.00 0.00 H new ATOM 0 HD22 ASN A 33 20.279 -2.475 2.365 1.00 0.00 H new ATOM 519 N ARG A 34 16.917 1.143 2.866 1.00 0.00 N ATOM 520 CA ARG A 34 16.397 2.226 3.691 1.00 0.00 C ATOM 521 C ARG A 34 14.898 2.060 3.913 1.00 0.00 C ATOM 522 O ARG A 34 14.317 1.040 3.543 1.00 0.00 O ATOM 523 CB ARG A 34 16.679 3.578 3.032 1.00 0.00 C ATOM 524 CG ARG A 34 15.981 3.758 1.694 1.00 0.00 C ATOM 525 CD ARG A 34 16.866 3.326 0.535 1.00 0.00 C ATOM 526 NE ARG A 34 17.232 4.450 -0.325 1.00 0.00 N ATOM 527 CZ ARG A 34 18.326 5.192 -0.159 1.00 0.00 C ATOM 528 NH1 ARG A 34 19.172 4.937 0.832 1.00 0.00 N ATOM 529 NH2 ARG A 34 18.576 6.196 -0.989 1.00 0.00 N ATOM 0 H ARG A 34 16.210 0.482 2.545 1.00 0.00 H new ATOM 0 HA ARG A 34 16.899 2.190 4.658 1.00 0.00 H new ATOM 0 HB2 ARG A 34 16.365 4.375 3.707 1.00 0.00 H new ATOM 0 HB3 ARG A 34 17.754 3.686 2.889 1.00 0.00 H new ATOM 0 HG2 ARG A 34 15.059 3.177 1.684 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.701 4.804 1.568 1.00 0.00 H new ATOM 0 HD2 ARG A 34 17.770 2.858 0.924 1.00 0.00 H new ATOM 0 HD3 ARG A 34 16.346 2.572 -0.056 1.00 0.00 H new ATOM 0 HE ARG A 34 16.611 4.681 -1.101 1.00 0.00 H new ATOM 0 HH11 ARG A 34 18.987 4.167 1.475 1.00 0.00 H new ATOM 0 HH12 ARG A 34 20.007 5.511 0.950 1.00 0.00 H new ATOM 0 HH21 ARG A 34 17.931 6.399 -1.753 1.00 0.00 H new ATOM 0 HH22 ARG A 34 19.413 6.765 -0.863 1.00 0.00 H new ATOM 543 N LYS A 35 14.274 3.067 4.515 1.00 0.00 N ATOM 544 CA LYS A 35 12.841 3.021 4.776 1.00 0.00 C ATOM 545 C LYS A 35 12.060 2.998 3.469 1.00 0.00 C ATOM 546 O LYS A 35 12.246 3.854 2.604 1.00 0.00 O ATOM 547 CB LYS A 35 12.412 4.218 5.627 1.00 0.00 C ATOM 548 CG LYS A 35 11.407 3.864 6.711 1.00 0.00 C ATOM 549 CD LYS A 35 11.982 2.861 7.700 1.00 0.00 C ATOM 550 CE LYS A 35 10.987 1.757 8.019 1.00 0.00 C ATOM 551 NZ LYS A 35 11.165 1.230 9.401 1.00 0.00 N ATOM 0 H LYS A 35 14.736 3.920 4.830 1.00 0.00 H new ATOM 0 HA LYS A 35 12.623 2.106 5.327 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.295 4.658 6.091 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.980 4.979 4.977 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.108 4.769 7.241 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.508 3.451 6.254 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.892 2.424 7.289 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.263 3.375 8.619 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.972 2.139 7.904 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.105 0.944 7.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.468 0.479 9.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 12.125 0.843 9.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.027 2.000 10.087 1.00 0.00 H new ATOM 565 N ILE A 36 11.198 2.000 3.329 1.00 0.00 N ATOM 566 CA ILE A 36 10.397 1.840 2.130 1.00 0.00 C ATOM 567 C ILE A 36 9.577 3.081 1.808 1.00 0.00 C ATOM 568 O ILE A 36 9.073 3.763 2.701 1.00 0.00 O ATOM 569 CB ILE A 36 9.440 0.640 2.253 1.00 0.00 C ATOM 570 CG1 ILE A 36 8.700 0.660 3.598 1.00 0.00 C ATOM 571 CG2 ILE A 36 10.205 -0.661 2.078 1.00 0.00 C ATOM 572 CD1 ILE A 36 7.585 1.682 3.667 1.00 0.00 C ATOM 0 H ILE A 36 11.037 1.285 4.039 1.00 0.00 H new ATOM 0 HA ILE A 36 11.106 1.669 1.320 1.00 0.00 H new ATOM 0 HB ILE A 36 8.693 0.714 1.462 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.285 -0.330 3.789 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.417 0.864 4.393 1.00 0.00 H new ATOM 0 HG21 ILE A 36 9.518 -1.502 2.167 1.00 0.00 H new ATOM 0 HG22 ILE A 36 10.674 -0.678 1.094 1.00 0.00 H new ATOM 0 HG23 ILE A 36 10.973 -0.737 2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.110 1.636 4.647 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.995 2.679 3.509 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.846 1.467 2.895 1.00 0.00 H new ATOM 584 N ASN A 37 9.426 3.342 0.516 1.00 0.00 N ATOM 585 CA ASN A 37 8.640 4.470 0.040 1.00 0.00 C ATOM 586 C ASN A 37 7.450 3.944 -0.754 1.00 0.00 C ATOM 587 O ASN A 37 7.028 4.539 -1.745 1.00 0.00 O ATOM 588 CB ASN A 37 9.496 5.397 -0.828 1.00 0.00 C ATOM 589 CG ASN A 37 9.523 6.818 -0.300 1.00 0.00 C ATOM 590 OD1 ASN A 37 8.479 7.444 -0.117 1.00 0.00 O ATOM 591 ND2 ASN A 37 10.721 7.335 -0.051 1.00 0.00 N ATOM 0 H ASN A 37 9.843 2.781 -0.227 1.00 0.00 H new ATOM 0 HA ASN A 37 8.283 5.048 0.893 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.514 5.010 -0.875 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.108 5.398 -1.847 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.801 8.287 0.307 1.00 0.00 H new ATOM 0 HD22 ASN A 37 11.561 6.780 -0.217 1.00 0.00 H new ATOM 598 N LEU A 38 6.932 2.803 -0.301 1.00 0.00 N ATOM 599 CA LEU A 38 5.802 2.131 -0.936 1.00 0.00 C ATOM 600 C LEU A 38 4.724 3.105 -1.397 1.00 0.00 C ATOM 601 O LEU A 38 3.976 2.809 -2.325 1.00 0.00 O ATOM 602 CB LEU A 38 5.193 1.113 0.027 1.00 0.00 C ATOM 603 CG LEU A 38 6.203 0.258 0.794 1.00 0.00 C ATOM 604 CD1 LEU A 38 5.491 -0.809 1.602 1.00 0.00 C ATOM 605 CD2 LEU A 38 7.204 -0.375 -0.162 1.00 0.00 C ATOM 0 H LEU A 38 7.288 2.317 0.522 1.00 0.00 H new ATOM 0 HA LEU A 38 6.188 1.628 -1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.570 1.645 0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.535 0.452 -0.537 1.00 0.00 H new ATOM 0 HG LEU A 38 6.748 0.905 1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.225 -1.408 2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.815 -0.336 2.314 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.920 -1.452 0.932 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.914 -0.979 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.676 -1.008 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.740 0.408 -0.699 1.00 0.00 H new ATOM 617 N PHE A 39 4.634 4.256 -0.744 1.00 0.00 N ATOM 618 CA PHE A 39 3.626 5.243 -1.101 1.00 0.00 C ATOM 619 C PHE A 39 4.092 6.143 -2.246 1.00 0.00 C ATOM 620 O PHE A 39 3.296 6.519 -3.101 1.00 0.00 O ATOM 621 CB PHE A 39 3.241 6.063 0.126 1.00 0.00 C ATOM 622 CG PHE A 39 2.501 5.250 1.150 1.00 0.00 C ATOM 623 CD1 PHE A 39 1.125 5.097 1.071 1.00 0.00 C ATOM 624 CD2 PHE A 39 3.184 4.626 2.183 1.00 0.00 C ATOM 625 CE1 PHE A 39 0.442 4.339 2.005 1.00 0.00 C ATOM 626 CE2 PHE A 39 2.507 3.868 3.120 1.00 0.00 C ATOM 627 CZ PHE A 39 1.135 3.725 3.031 1.00 0.00 C ATOM 0 H PHE A 39 5.242 4.527 0.029 1.00 0.00 H new ATOM 0 HA PHE A 39 2.743 4.712 -1.458 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.141 6.479 0.578 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.621 6.905 -0.183 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.580 5.575 0.271 1.00 0.00 H new ATOM 0 HD2 PHE A 39 4.256 4.733 2.256 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -0.630 4.227 1.933 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.050 3.388 3.921 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.605 3.134 3.763 1.00 0.00 H new ATOM 637 N TYR A 40 5.380 6.474 -2.275 1.00 0.00 N ATOM 638 CA TYR A 40 5.923 7.317 -3.341 1.00 0.00 C ATOM 639 C TYR A 40 5.648 6.686 -4.706 1.00 0.00 C ATOM 640 O TYR A 40 4.739 7.106 -5.438 1.00 0.00 O ATOM 641 CB TYR A 40 7.428 7.516 -3.143 1.00 0.00 C ATOM 642 CG TYR A 40 7.847 8.968 -3.107 1.00 0.00 C ATOM 643 CD1 TYR A 40 7.360 9.827 -2.129 1.00 0.00 C ATOM 644 CD2 TYR A 40 8.730 9.480 -4.049 1.00 0.00 C ATOM 645 CE1 TYR A 40 7.741 11.154 -2.092 1.00 0.00 C ATOM 646 CE2 TYR A 40 9.116 10.807 -4.018 1.00 0.00 C ATOM 647 CZ TYR A 40 8.619 11.639 -3.038 1.00 0.00 C ATOM 648 OH TYR A 40 9.001 12.961 -3.004 1.00 0.00 O ATOM 0 H TYR A 40 6.064 6.175 -1.580 1.00 0.00 H new ATOM 0 HA TYR A 40 5.433 8.290 -3.301 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.730 7.036 -2.212 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.962 7.012 -3.949 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.672 9.451 -1.386 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.121 8.831 -4.818 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.353 11.809 -1.326 1.00 0.00 H new ATOM 0 HE2 TYR A 40 9.803 11.190 -4.758 1.00 0.00 H new ATOM 0 HH TYR A 40 9.624 13.141 -3.739 1.00 0.00 H new ATOM 658 N LEU A 41 6.416 5.650 -5.035 1.00 0.00 N ATOM 659 CA LEU A 41 6.231 4.939 -6.294 1.00 0.00 C ATOM 660 C LEU A 41 4.753 4.641 -6.494 1.00 0.00 C ATOM 661 O LEU A 41 4.256 4.594 -7.618 1.00 0.00 O ATOM 662 CB LEU A 41 7.020 3.636 -6.295 1.00 0.00 C ATOM 663 CG LEU A 41 6.472 2.561 -5.356 1.00 0.00 C ATOM 664 CD1 LEU A 41 7.097 1.212 -5.670 1.00 0.00 C ATOM 665 CD2 LEU A 41 6.741 2.946 -3.912 1.00 0.00 C ATOM 0 H LEU A 41 7.168 5.287 -4.450 1.00 0.00 H new ATOM 0 HA LEU A 41 6.595 5.566 -7.108 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.039 3.238 -7.310 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.052 3.851 -6.018 1.00 0.00 H new ATOM 0 HG LEU A 41 5.395 2.483 -5.504 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.696 0.458 -4.992 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.866 0.935 -6.699 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.178 1.274 -5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.347 2.175 -3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.815 3.044 -3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.254 3.896 -3.692 1.00 0.00 H new ATOM 677 N TYR A 42 4.051 4.461 -5.381 1.00 0.00 N ATOM 678 CA TYR A 42 2.633 4.199 -5.430 1.00 0.00 C ATOM 679 C TYR A 42 1.922 5.439 -5.965 1.00 0.00 C ATOM 680 O TYR A 42 1.113 5.354 -6.884 1.00 0.00 O ATOM 681 CB TYR A 42 2.111 3.795 -4.042 1.00 0.00 C ATOM 682 CG TYR A 42 0.668 4.190 -3.764 1.00 0.00 C ATOM 683 CD1 TYR A 42 -0.245 4.280 -4.799 1.00 0.00 C ATOM 684 CD2 TYR A 42 0.223 4.479 -2.480 1.00 0.00 C ATOM 685 CE1 TYR A 42 -1.544 4.644 -4.588 1.00 0.00 C ATOM 686 CE2 TYR A 42 -1.092 4.847 -2.250 1.00 0.00 C ATOM 687 CZ TYR A 42 -1.973 4.932 -3.311 1.00 0.00 C ATOM 688 OH TYR A 42 -3.281 5.297 -3.091 1.00 0.00 O ATOM 0 H TYR A 42 4.446 4.493 -4.441 1.00 0.00 H new ATOM 0 HA TYR A 42 2.430 3.364 -6.100 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.204 2.714 -3.934 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.750 4.247 -3.283 1.00 0.00 H new ATOM 0 HD1 TYR A 42 0.079 4.056 -5.804 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.912 4.416 -1.650 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -2.232 4.706 -5.418 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.427 5.066 -1.247 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.860 4.511 -3.182 1.00 0.00 H new ATOM 698 N MET A 43 2.241 6.604 -5.420 1.00 0.00 N ATOM 699 CA MET A 43 1.629 7.833 -5.899 1.00 0.00 C ATOM 700 C MET A 43 1.607 7.835 -7.421 1.00 0.00 C ATOM 701 O MET A 43 0.728 8.432 -8.041 1.00 0.00 O ATOM 702 CB MET A 43 2.374 9.050 -5.353 1.00 0.00 C ATOM 703 CG MET A 43 2.133 9.308 -3.868 1.00 0.00 C ATOM 704 SD MET A 43 0.402 9.123 -3.378 1.00 0.00 S ATOM 705 CE MET A 43 0.239 7.335 -3.335 1.00 0.00 C ATOM 0 H MET A 43 2.909 6.723 -4.658 1.00 0.00 H new ATOM 0 HA MET A 43 0.602 7.887 -5.539 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.443 8.914 -5.519 1.00 0.00 H new ATOM 0 HB3 MET A 43 2.073 9.932 -5.918 1.00 0.00 H new ATOM 0 HG2 MET A 43 2.744 8.620 -3.284 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.466 10.317 -3.623 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.353 7.044 -2.467 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.257 6.993 -4.244 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.228 6.881 -3.268 1.00 0.00 H new ATOM 715 N LEU A 44 2.568 7.130 -8.014 1.00 0.00 N ATOM 716 CA LEU A 44 2.636 7.020 -9.461 1.00 0.00 C ATOM 717 C LEU A 44 1.694 5.931 -9.985 1.00 0.00 C ATOM 718 O LEU A 44 1.046 6.126 -11.011 1.00 0.00 O ATOM 719 CB LEU A 44 4.058 6.719 -9.931 1.00 0.00 C ATOM 720 CG LEU A 44 5.181 7.038 -8.944 1.00 0.00 C ATOM 721 CD1 LEU A 44 6.531 6.979 -9.644 1.00 0.00 C ATOM 722 CD2 LEU A 44 4.972 8.403 -8.300 1.00 0.00 C ATOM 0 H LEU A 44 3.304 6.631 -7.515 1.00 0.00 H new ATOM 0 HA LEU A 44 2.324 7.984 -9.862 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.117 5.661 -10.186 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.240 7.278 -10.849 1.00 0.00 H new ATOM 0 HG LEU A 44 5.163 6.288 -8.154 1.00 0.00 H new ATOM 0 HD11 LEU A 44 7.322 7.208 -8.930 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.687 5.979 -10.050 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.553 7.707 -10.455 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.785 8.605 -7.602 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.958 9.172 -9.073 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.023 8.411 -7.763 1.00 0.00 H new ATOM 734 N VAL A 45 1.604 4.786 -9.282 1.00 0.00 N ATOM 735 CA VAL A 45 0.717 3.701 -9.727 1.00 0.00 C ATOM 736 C VAL A 45 -0.701 4.215 -9.830 1.00 0.00 C ATOM 737 O VAL A 45 -1.518 3.688 -10.584 1.00 0.00 O ATOM 738 CB VAL A 45 0.744 2.455 -8.809 1.00 0.00 C ATOM 739 CG1 VAL A 45 0.547 2.826 -7.373 1.00 0.00 C ATOM 740 CG2 VAL A 45 -0.317 1.454 -9.224 1.00 0.00 C ATOM 0 H VAL A 45 2.122 4.593 -8.425 1.00 0.00 H new ATOM 0 HA VAL A 45 1.090 3.380 -10.700 1.00 0.00 H new ATOM 0 HB VAL A 45 1.728 1.999 -8.917 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.572 1.926 -6.758 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.343 3.502 -7.059 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.417 3.320 -7.254 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.278 0.588 -8.564 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.301 1.918 -9.156 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.136 1.136 -10.251 1.00 0.00 H new ATOM 750 N GLN A 46 -0.968 5.274 -9.086 1.00 0.00 N ATOM 751 CA GLN A 46 -2.279 5.913 -9.107 1.00 0.00 C ATOM 752 C GLN A 46 -2.728 6.100 -10.555 1.00 0.00 C ATOM 753 O GLN A 46 -3.919 6.054 -10.861 1.00 0.00 O ATOM 754 CB GLN A 46 -2.234 7.261 -8.383 1.00 0.00 C ATOM 755 CG GLN A 46 -3.251 7.381 -7.258 1.00 0.00 C ATOM 756 CD GLN A 46 -4.275 8.472 -7.508 1.00 0.00 C ATOM 757 OE1 GLN A 46 -4.033 9.644 -7.222 1.00 0.00 O ATOM 758 NE2 GLN A 46 -5.428 8.089 -8.044 1.00 0.00 N ATOM 0 H GLN A 46 -0.295 5.713 -8.457 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.995 5.276 -8.587 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.234 7.412 -7.976 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.408 8.058 -9.106 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.765 6.428 -7.135 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -2.730 7.585 -6.323 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.586 7.106 -8.265 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -6.156 8.778 -8.234 1.00 0.00 H new ATOM 767 N LYS A 47 -1.748 6.277 -11.448 1.00 0.00 N ATOM 768 CA LYS A 47 -2.019 6.431 -12.872 1.00 0.00 C ATOM 769 C LYS A 47 -2.948 5.321 -13.329 1.00 0.00 C ATOM 770 O LYS A 47 -3.857 5.528 -14.132 1.00 0.00 O ATOM 771 CB LYS A 47 -0.705 6.377 -13.672 1.00 0.00 C ATOM 772 CG LYS A 47 -0.277 4.968 -14.095 1.00 0.00 C ATOM 773 CD LYS A 47 0.298 4.185 -12.931 1.00 0.00 C ATOM 774 CE LYS A 47 1.816 4.220 -12.943 1.00 0.00 C ATOM 775 NZ LYS A 47 2.427 2.872 -12.843 1.00 0.00 N ATOM 0 H LYS A 47 -0.759 6.316 -11.203 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.493 7.397 -13.045 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.812 6.994 -14.564 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.090 6.820 -13.072 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.135 4.434 -14.505 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.465 5.036 -14.890 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.071 4.600 -11.993 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.045 3.152 -12.979 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.156 4.700 -13.861 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.166 4.834 -12.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.453 2.966 -12.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.012 2.362 -12.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.244 2.342 -13.719 1.00 0.00 H new ATOM 789 N PHE A 48 -2.696 4.137 -12.791 1.00 0.00 N ATOM 790 CA PHE A 48 -3.478 2.968 -13.104 1.00 0.00 C ATOM 791 C PHE A 48 -4.567 2.780 -12.063 1.00 0.00 C ATOM 792 O PHE A 48 -5.705 2.443 -12.388 1.00 0.00 O ATOM 793 CB PHE A 48 -2.573 1.743 -13.187 1.00 0.00 C ATOM 794 CG PHE A 48 -2.490 1.184 -14.581 1.00 0.00 C ATOM 795 CD1 PHE A 48 -2.079 1.985 -15.635 1.00 0.00 C ATOM 796 CD2 PHE A 48 -2.835 -0.129 -14.841 1.00 0.00 C ATOM 797 CE1 PHE A 48 -2.011 1.484 -16.920 1.00 0.00 C ATOM 798 CE2 PHE A 48 -2.771 -0.635 -16.127 1.00 0.00 C ATOM 799 CZ PHE A 48 -2.358 0.172 -17.166 1.00 0.00 C ATOM 0 H PHE A 48 -1.942 3.968 -12.126 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.957 3.100 -14.074 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.573 2.010 -12.845 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.946 0.973 -12.511 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.809 3.014 -15.449 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -3.158 -0.767 -14.031 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.687 2.119 -17.731 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.045 -1.662 -16.317 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.306 -0.222 -18.170 1.00 0.00 H new ATOM 809 N GLY A 49 -4.205 2.998 -10.804 1.00 0.00 N ATOM 810 CA GLY A 49 -5.151 2.850 -9.721 1.00 0.00 C ATOM 811 C GLY A 49 -5.274 1.411 -9.300 1.00 0.00 C ATOM 812 O GLY A 49 -5.448 1.107 -8.120 1.00 0.00 O ATOM 0 H GLY A 49 -3.267 3.276 -10.516 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.833 3.454 -8.872 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.126 3.225 -10.032 1.00 0.00 H new ATOM 816 N GLY A 50 -5.154 0.523 -10.273 1.00 0.00 N ATOM 817 CA GLY A 50 -5.222 -0.885 -9.996 1.00 0.00 C ATOM 818 C GLY A 50 -3.864 -1.521 -10.132 1.00 0.00 C ATOM 819 O GLY A 50 -3.428 -1.843 -11.236 1.00 0.00 O ATOM 0 H GLY A 50 -5.010 0.760 -11.255 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.604 -1.044 -8.988 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.923 -1.362 -10.681 1.00 0.00 H new ATOM 823 N ALA A 51 -3.181 -1.672 -9.007 1.00 0.00 N ATOM 824 CA ALA A 51 -1.845 -2.244 -8.988 1.00 0.00 C ATOM 825 C ALA A 51 -1.721 -3.451 -9.913 1.00 0.00 C ATOM 826 O ALA A 51 -0.834 -3.503 -10.764 1.00 0.00 O ATOM 827 CB ALA A 51 -1.464 -2.617 -7.575 1.00 0.00 C ATOM 0 H ALA A 51 -3.535 -1.404 -8.089 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.156 -1.486 -9.360 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.462 -3.045 -7.569 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.482 -1.727 -6.946 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.173 -3.349 -7.188 1.00 0.00 H new ATOM 833 N ASP A 52 -2.616 -4.416 -9.741 1.00 0.00 N ATOM 834 CA ASP A 52 -2.607 -5.624 -10.558 1.00 0.00 C ATOM 835 C ASP A 52 -2.766 -5.299 -12.040 1.00 0.00 C ATOM 836 O ASP A 52 -2.460 -6.128 -12.898 1.00 0.00 O ATOM 837 CB ASP A 52 -3.727 -6.568 -10.117 1.00 0.00 C ATOM 838 CG ASP A 52 -3.252 -8.001 -9.972 1.00 0.00 C ATOM 839 OD1 ASP A 52 -2.230 -8.222 -9.289 1.00 0.00 O ATOM 840 OD2 ASP A 52 -3.904 -8.902 -10.541 1.00 0.00 O ATOM 0 H ASP A 52 -3.358 -4.386 -9.042 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.642 -6.110 -10.417 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.134 -6.225 -9.166 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -4.539 -6.529 -10.844 1.00 0.00 H new ATOM 845 N GLN A 53 -3.231 -4.091 -12.344 1.00 0.00 N ATOM 846 CA GLN A 53 -3.406 -3.676 -13.718 1.00 0.00 C ATOM 847 C GLN A 53 -2.152 -2.970 -14.187 1.00 0.00 C ATOM 848 O GLN A 53 -1.751 -3.075 -15.346 1.00 0.00 O ATOM 849 CB GLN A 53 -4.632 -2.766 -13.844 1.00 0.00 C ATOM 850 CG GLN A 53 -5.073 -2.528 -15.279 1.00 0.00 C ATOM 851 CD GLN A 53 -6.484 -3.015 -15.545 1.00 0.00 C ATOM 852 OE1 GLN A 53 -6.869 -4.103 -15.116 1.00 0.00 O ATOM 853 NE2 GLN A 53 -7.264 -2.209 -16.257 1.00 0.00 N ATOM 0 H GLN A 53 -3.491 -3.388 -11.653 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.575 -4.549 -14.348 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.459 -3.207 -13.288 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.410 -1.806 -13.378 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.013 -1.463 -15.502 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.384 -3.035 -15.955 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.903 -1.316 -16.593 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.224 -2.483 -16.468 1.00 0.00 H new ATOM 862 N VAL A 54 -1.541 -2.239 -13.261 1.00 0.00 N ATOM 863 CA VAL A 54 -0.337 -1.495 -13.555 1.00 0.00 C ATOM 864 C VAL A 54 0.899 -2.386 -13.572 1.00 0.00 C ATOM 865 O VAL A 54 1.963 -1.990 -14.039 1.00 0.00 O ATOM 866 CB VAL A 54 -0.178 -0.297 -12.597 1.00 0.00 C ATOM 867 CG1 VAL A 54 0.533 -0.583 -11.291 1.00 0.00 C ATOM 868 CG2 VAL A 54 0.548 0.779 -13.299 1.00 0.00 C ATOM 0 H VAL A 54 -1.867 -2.150 -12.299 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.438 -1.095 -14.564 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.194 -0.017 -12.319 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.587 0.330 -10.699 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.017 -1.343 -10.736 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.541 -0.942 -11.497 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.667 1.633 -12.632 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.530 0.417 -13.604 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.016 1.083 -14.181 1.00 0.00 H new ATOM 878 N THR A 55 0.725 -3.603 -13.098 1.00 0.00 N ATOM 879 CA THR A 55 1.795 -4.598 -13.081 1.00 0.00 C ATOM 880 C THR A 55 2.115 -5.080 -14.488 1.00 0.00 C ATOM 881 O THR A 55 3.125 -5.743 -14.725 1.00 0.00 O ATOM 882 CB THR A 55 1.384 -5.786 -12.229 1.00 0.00 C ATOM 883 OG1 THR A 55 0.175 -6.351 -12.704 1.00 0.00 O ATOM 884 CG2 THR A 55 1.186 -5.424 -10.784 1.00 0.00 C ATOM 0 H THR A 55 -0.158 -3.937 -12.713 1.00 0.00 H new ATOM 0 HA THR A 55 2.684 -4.129 -12.660 1.00 0.00 H new ATOM 0 HB THR A 55 2.203 -6.501 -12.304 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.072 -7.115 -12.142 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.893 -6.312 -10.223 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.117 -5.028 -10.377 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.404 -4.669 -10.702 1.00 0.00 H new ATOM 892 N ARG A 56 1.223 -4.760 -15.401 1.00 0.00 N ATOM 893 CA ARG A 56 1.349 -5.165 -16.794 1.00 0.00 C ATOM 894 C ARG A 56 1.176 -3.987 -17.754 1.00 0.00 C ATOM 895 O ARG A 56 0.582 -4.134 -18.822 1.00 0.00 O ATOM 896 CB ARG A 56 0.304 -6.236 -17.103 1.00 0.00 C ATOM 897 CG ARG A 56 -1.077 -5.926 -16.538 1.00 0.00 C ATOM 898 CD ARG A 56 -1.929 -5.145 -17.525 1.00 0.00 C ATOM 899 NE ARG A 56 -2.195 -5.904 -18.745 1.00 0.00 N ATOM 900 CZ ARG A 56 -3.152 -6.823 -18.853 1.00 0.00 C ATOM 901 NH1 ARG A 56 -3.932 -7.108 -17.817 1.00 0.00 N ATOM 902 NH2 ARG A 56 -3.329 -7.461 -20.002 1.00 0.00 N ATOM 0 H ARG A 56 0.387 -4.211 -15.203 1.00 0.00 H new ATOM 0 HA ARG A 56 2.354 -5.560 -16.938 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.226 -6.354 -18.184 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.645 -7.190 -16.702 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.581 -6.857 -16.280 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -0.972 -5.354 -15.616 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.874 -4.876 -17.053 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.424 -4.214 -17.781 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.613 -5.719 -19.562 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.800 -6.621 -16.930 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.663 -7.813 -17.908 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.732 -7.247 -20.801 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.062 -8.165 -20.087 1.00 0.00 H new ATOM 916 N THR A 57 1.694 -2.824 -17.376 1.00 0.00 N ATOM 917 CA THR A 57 1.584 -1.637 -18.221 1.00 0.00 C ATOM 918 C THR A 57 2.959 -1.032 -18.508 1.00 0.00 C ATOM 919 O THR A 57 3.983 -1.696 -18.350 1.00 0.00 O ATOM 920 CB THR A 57 0.685 -0.599 -17.554 1.00 0.00 C ATOM 921 OG1 THR A 57 0.469 0.510 -18.415 1.00 0.00 O ATOM 922 CG2 THR A 57 1.256 -0.078 -16.257 1.00 0.00 C ATOM 0 H THR A 57 2.191 -2.676 -16.498 1.00 0.00 H new ATOM 0 HA THR A 57 1.142 -1.939 -19.170 1.00 0.00 H new ATOM 0 HB THR A 57 -0.253 -1.112 -17.342 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.390 0.929 -18.199 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.574 0.656 -15.828 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.385 -0.905 -15.558 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.222 0.391 -16.447 1.00 0.00 H new ATOM 930 N GLN A 58 2.971 0.230 -18.933 1.00 0.00 N ATOM 931 CA GLN A 58 4.216 0.922 -19.245 1.00 0.00 C ATOM 932 C GLN A 58 4.560 1.954 -18.174 1.00 0.00 C ATOM 933 O GLN A 58 5.733 2.247 -17.942 1.00 0.00 O ATOM 934 CB GLN A 58 4.115 1.603 -20.611 1.00 0.00 C ATOM 935 CG GLN A 58 4.367 0.663 -21.779 1.00 0.00 C ATOM 936 CD GLN A 58 3.350 -0.460 -21.853 1.00 0.00 C ATOM 937 OE1 GLN A 58 2.162 -0.254 -21.606 1.00 0.00 O ATOM 938 NE2 GLN A 58 3.814 -1.656 -22.196 1.00 0.00 N ATOM 0 H GLN A 58 2.131 0.793 -19.069 1.00 0.00 H new ATOM 0 HA GLN A 58 5.014 0.179 -19.271 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.123 2.042 -20.716 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.833 2.422 -20.653 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.344 1.231 -22.709 1.00 0.00 H new ATOM 0 HG3 GLN A 58 5.367 0.238 -21.689 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.807 -1.781 -22.392 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.177 -2.450 -22.263 1.00 0.00 H new ATOM 947 N GLN A 59 3.538 2.500 -17.517 1.00 0.00 N ATOM 948 CA GLN A 59 3.752 3.493 -16.469 1.00 0.00 C ATOM 949 C GLN A 59 4.362 2.838 -15.227 1.00 0.00 C ATOM 950 O GLN A 59 4.949 3.506 -14.362 1.00 0.00 O ATOM 951 CB GLN A 59 2.432 4.180 -16.122 1.00 0.00 C ATOM 952 CG GLN A 59 1.544 4.444 -17.328 1.00 0.00 C ATOM 953 CD GLN A 59 0.826 5.776 -17.246 1.00 0.00 C ATOM 954 OE1 GLN A 59 1.251 6.681 -16.527 1.00 0.00 O ATOM 955 NE2 GLN A 59 -0.270 5.904 -17.985 1.00 0.00 N ATOM 0 H GLN A 59 2.559 2.272 -17.691 1.00 0.00 H new ATOM 0 HA GLN A 59 4.451 4.245 -16.835 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.887 3.561 -15.409 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.645 5.126 -15.625 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.151 4.418 -18.233 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.808 3.644 -17.414 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.586 5.128 -18.567 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.795 6.778 -17.971 1.00 0.00 H new ATOM 964 N TRP A 60 4.242 1.518 -15.153 1.00 0.00 N ATOM 965 CA TRP A 60 4.799 0.774 -14.040 1.00 0.00 C ATOM 966 C TRP A 60 6.279 1.065 -13.932 1.00 0.00 C ATOM 967 O TRP A 60 6.836 1.143 -12.838 1.00 0.00 O ATOM 968 CB TRP A 60 4.575 -0.718 -14.234 1.00 0.00 C ATOM 969 CG TRP A 60 4.238 -1.463 -12.978 1.00 0.00 C ATOM 970 CD1 TRP A 60 4.322 -2.808 -12.810 1.00 0.00 C ATOM 971 CD2 TRP A 60 3.756 -0.931 -11.728 1.00 0.00 C ATOM 972 NE1 TRP A 60 3.903 -3.157 -11.554 1.00 0.00 N ATOM 973 CE2 TRP A 60 3.562 -2.024 -10.864 1.00 0.00 C ATOM 974 CE3 TRP A 60 3.465 0.354 -11.252 1.00 0.00 C ATOM 975 CZ2 TRP A 60 3.093 -1.871 -9.560 1.00 0.00 C ATOM 976 CZ3 TRP A 60 3.003 0.504 -9.961 1.00 0.00 C ATOM 977 CH2 TRP A 60 2.820 -0.603 -9.127 1.00 0.00 C ATOM 0 H TRP A 60 3.765 0.946 -15.850 1.00 0.00 H new ATOM 0 HA TRP A 60 4.300 1.081 -13.121 1.00 0.00 H new ATOM 0 HB2 TRP A 60 3.769 -0.861 -14.954 1.00 0.00 H new ATOM 0 HB3 TRP A 60 5.474 -1.154 -14.670 1.00 0.00 H new ATOM 0 HD1 TRP A 60 4.670 -3.503 -13.560 1.00 0.00 H new ATOM 0 HE1 TRP A 60 3.853 -4.109 -11.190 1.00 0.00 H new ATOM 0 HE3 TRP A 60 3.601 1.216 -11.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 2.950 -2.725 -8.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 2.779 1.493 -9.588 1.00 0.00 H new ATOM 0 HH2 TRP A 60 2.456 -0.454 -8.121 1.00 0.00 H new ATOM 988 N SER A 61 6.905 1.253 -15.086 1.00 0.00 N ATOM 989 CA SER A 61 8.317 1.570 -15.132 1.00 0.00 C ATOM 990 C SER A 61 8.580 2.775 -14.242 1.00 0.00 C ATOM 991 O SER A 61 9.588 2.838 -13.553 1.00 0.00 O ATOM 992 CB SER A 61 8.755 1.862 -16.568 1.00 0.00 C ATOM 993 OG SER A 61 10.076 1.406 -16.803 1.00 0.00 O ATOM 0 H SER A 61 6.454 1.191 -15.999 1.00 0.00 H new ATOM 0 HA SER A 61 8.893 0.717 -14.773 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.071 1.378 -17.265 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.698 2.934 -16.758 1.00 0.00 H new ATOM 0 HG SER A 61 10.638 2.160 -17.078 1.00 0.00 H new ATOM 999 N MET A 62 7.636 3.716 -14.224 1.00 0.00 N ATOM 1000 CA MET A 62 7.765 4.891 -13.373 1.00 0.00 C ATOM 1001 C MET A 62 7.902 4.429 -11.935 1.00 0.00 C ATOM 1002 O MET A 62 8.856 4.779 -11.242 1.00 0.00 O ATOM 1003 CB MET A 62 6.547 5.804 -13.501 1.00 0.00 C ATOM 1004 CG MET A 62 6.130 6.090 -14.935 1.00 0.00 C ATOM 1005 SD MET A 62 4.615 7.065 -15.030 1.00 0.00 S ATOM 1006 CE MET A 62 3.663 6.354 -13.688 1.00 0.00 C ATOM 0 H MET A 62 6.784 3.686 -14.784 1.00 0.00 H new ATOM 0 HA MET A 62 8.643 5.458 -13.682 1.00 0.00 H new ATOM 0 HB2 MET A 62 5.708 5.348 -12.975 1.00 0.00 H new ATOM 0 HB3 MET A 62 6.761 6.749 -13.001 1.00 0.00 H new ATOM 0 HG2 MET A 62 6.933 6.622 -15.445 1.00 0.00 H new ATOM 0 HG3 MET A 62 5.986 5.148 -15.463 1.00 0.00 H new ATOM 0 HE1 MET A 62 2.607 6.581 -13.831 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.803 5.273 -13.675 1.00 0.00 H new ATOM 0 HE3 MET A 62 3.999 6.775 -12.740 1.00 0.00 H new ATOM 1016 N VAL A 63 6.952 3.598 -11.515 1.00 0.00 N ATOM 1017 CA VAL A 63 6.975 3.031 -10.170 1.00 0.00 C ATOM 1018 C VAL A 63 8.223 2.157 -10.031 1.00 0.00 C ATOM 1019 O VAL A 63 9.222 2.548 -9.411 1.00 0.00 O ATOM 1020 CB VAL A 63 5.698 2.189 -9.906 1.00 0.00 C ATOM 1021 CG1 VAL A 63 5.801 1.389 -8.621 1.00 0.00 C ATOM 1022 CG2 VAL A 63 4.470 3.075 -9.859 1.00 0.00 C ATOM 0 H VAL A 63 6.159 3.303 -12.085 1.00 0.00 H new ATOM 0 HA VAL A 63 7.000 3.837 -9.436 1.00 0.00 H new ATOM 0 HB VAL A 63 5.604 1.487 -10.734 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.886 0.815 -8.476 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.650 0.709 -8.683 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.941 2.068 -7.780 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.587 2.464 -9.673 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.580 3.807 -9.059 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.358 3.593 -10.812 1.00 0.00 H new ATOM 1032 N ALA A 64 8.155 0.976 -10.633 1.00 0.00 N ATOM 1033 CA ALA A 64 9.268 0.022 -10.620 1.00 0.00 C ATOM 1034 C ALA A 64 10.640 0.691 -10.774 1.00 0.00 C ATOM 1035 O ALA A 64 11.585 0.322 -10.078 1.00 0.00 O ATOM 1036 CB ALA A 64 9.072 -1.011 -11.720 1.00 0.00 C ATOM 0 H ALA A 64 7.334 0.649 -11.142 1.00 0.00 H new ATOM 0 HA ALA A 64 9.261 -0.458 -9.641 1.00 0.00 H new ATOM 0 HB1 ALA A 64 9.901 -1.718 -11.707 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.137 -1.546 -11.555 1.00 0.00 H new ATOM 0 HB3 ALA A 64 9.037 -0.510 -12.688 1.00 0.00 H new ATOM 1042 N GLN A 65 10.762 1.659 -11.680 1.00 0.00 N ATOM 1043 CA GLN A 65 12.048 2.333 -11.880 1.00 0.00 C ATOM 1044 C GLN A 65 12.251 3.448 -10.861 1.00 0.00 C ATOM 1045 O GLN A 65 13.385 3.831 -10.573 1.00 0.00 O ATOM 1046 CB GLN A 65 12.179 2.893 -13.298 1.00 0.00 C ATOM 1047 CG GLN A 65 11.952 1.857 -14.387 1.00 0.00 C ATOM 1048 CD GLN A 65 13.188 1.619 -15.234 1.00 0.00 C ATOM 1049 OE1 GLN A 65 13.967 0.605 -14.873 1.00 0.00 O flip ATOM 1050 NE2 GLN A 65 13.439 2.337 -16.202 1.00 0.00 N flip ATOM 0 H GLN A 65 10.005 1.991 -12.277 1.00 0.00 H new ATOM 0 HA GLN A 65 12.824 1.581 -11.737 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.463 3.705 -13.426 1.00 0.00 H new ATOM 0 HB3 GLN A 65 13.173 3.323 -13.419 1.00 0.00 H new ATOM 0 HG2 GLN A 65 11.643 0.917 -13.930 1.00 0.00 H new ATOM 0 HG3 GLN A 65 11.134 2.184 -15.029 1.00 0.00 H new ATOM 0 HE21 GLN A 65 12.813 3.105 -16.443 1.00 0.00 H new ATOM 0 HE22 GLN A 65 14.273 2.164 -16.763 1.00 0.00 H new ATOM 1059 N ARG A 66 11.156 3.960 -10.301 1.00 0.00 N ATOM 1060 CA ARG A 66 11.245 5.021 -9.301 1.00 0.00 C ATOM 1061 C ARG A 66 12.224 4.625 -8.207 1.00 0.00 C ATOM 1062 O ARG A 66 13.080 5.411 -7.802 1.00 0.00 O ATOM 1063 CB ARG A 66 9.874 5.301 -8.682 1.00 0.00 C ATOM 1064 CG ARG A 66 9.404 6.737 -8.858 1.00 0.00 C ATOM 1065 CD ARG A 66 10.493 7.734 -8.488 1.00 0.00 C ATOM 1066 NE ARG A 66 9.941 8.963 -7.922 1.00 0.00 N ATOM 1067 CZ ARG A 66 10.676 10.025 -7.597 1.00 0.00 C ATOM 1068 NH1 ARG A 66 11.990 10.013 -7.781 1.00 0.00 N ATOM 1069 NH2 ARG A 66 10.094 11.102 -7.087 1.00 0.00 N ATOM 0 H ARG A 66 10.206 3.661 -10.520 1.00 0.00 H new ATOM 0 HA ARG A 66 11.598 5.926 -9.796 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.140 4.631 -9.129 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.912 5.068 -7.618 1.00 0.00 H new ATOM 0 HG2 ARG A 66 9.101 6.897 -9.893 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.525 6.911 -8.238 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.173 7.277 -7.769 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.080 7.975 -9.374 1.00 0.00 H new ATOM 0 HE ARG A 66 8.934 9.010 -7.767 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.443 9.187 -8.173 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.548 10.829 -7.530 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.084 11.117 -6.944 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.656 11.916 -6.838 1.00 0.00 H new ATOM 1083 N LEU A 67 12.089 3.389 -7.741 1.00 0.00 N ATOM 1084 CA LEU A 67 12.968 2.869 -6.693 1.00 0.00 C ATOM 1085 C LEU A 67 14.337 2.483 -7.254 1.00 0.00 C ATOM 1086 O LEU A 67 15.195 1.995 -6.519 1.00 0.00 O ATOM 1087 CB LEU A 67 12.357 1.638 -6.009 1.00 0.00 C ATOM 1088 CG LEU A 67 10.831 1.541 -6.027 1.00 0.00 C ATOM 1089 CD1 LEU A 67 10.352 0.854 -7.295 1.00 0.00 C ATOM 1090 CD2 LEU A 67 10.342 0.780 -4.805 1.00 0.00 C ATOM 0 H LEU A 67 11.384 2.729 -8.068 1.00 0.00 H new ATOM 0 HA LEU A 67 13.086 3.670 -5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.762 0.745 -6.486 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.689 1.624 -4.971 1.00 0.00 H new ATOM 0 HG LEU A 67 10.421 2.551 -6.006 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.264 0.795 -7.288 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.679 1.425 -8.164 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.769 -0.152 -7.344 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.254 0.716 -4.827 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.764 -0.225 -4.809 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.657 1.302 -3.901 1.00 0.00 H new ATOM 1102 N GLN A 68 14.535 2.674 -8.557 1.00 0.00 N ATOM 1103 CA GLN A 68 15.796 2.309 -9.189 1.00 0.00 C ATOM 1104 C GLN A 68 16.028 0.813 -9.017 1.00 0.00 C ATOM 1105 O GLN A 68 17.157 0.358 -8.834 1.00 0.00 O ATOM 1106 CB GLN A 68 16.953 3.099 -8.575 1.00 0.00 C ATOM 1107 CG GLN A 68 18.251 2.986 -9.357 1.00 0.00 C ATOM 1108 CD GLN A 68 19.477 3.120 -8.475 1.00 0.00 C ATOM 1109 OE1 GLN A 68 20.453 2.388 -8.633 1.00 0.00 O ATOM 1110 NE2 GLN A 68 19.430 4.060 -7.537 1.00 0.00 N ATOM 0 H GLN A 68 13.843 3.076 -9.189 1.00 0.00 H new ATOM 0 HA GLN A 68 15.748 2.550 -10.251 1.00 0.00 H new ATOM 0 HB2 GLN A 68 16.669 4.149 -8.508 1.00 0.00 H new ATOM 0 HB3 GLN A 68 17.121 2.749 -7.557 1.00 0.00 H new ATOM 0 HG2 GLN A 68 18.280 2.024 -9.869 1.00 0.00 H new ATOM 0 HG3 GLN A 68 18.276 3.758 -10.127 1.00 0.00 H new ATOM 0 HE21 GLN A 68 18.600 4.645 -7.442 1.00 0.00 H new ATOM 0 HE22 GLN A 68 20.224 4.197 -6.912 1.00 0.00 H new ATOM 1119 N ILE A 69 14.931 0.063 -9.052 1.00 0.00 N ATOM 1120 CA ILE A 69 14.972 -1.380 -8.875 1.00 0.00 C ATOM 1121 C ILE A 69 14.583 -2.117 -10.158 1.00 0.00 C ATOM 1122 O ILE A 69 15.034 -3.237 -10.399 1.00 0.00 O ATOM 1123 CB ILE A 69 14.039 -1.800 -7.718 1.00 0.00 C ATOM 1124 CG1 ILE A 69 14.098 -3.312 -7.481 1.00 0.00 C ATOM 1125 CG2 ILE A 69 12.610 -1.347 -7.993 1.00 0.00 C ATOM 1126 CD1 ILE A 69 14.932 -3.700 -6.279 1.00 0.00 C ATOM 0 H ILE A 69 13.995 0.438 -9.203 1.00 0.00 H new ATOM 0 HA ILE A 69 15.998 -1.656 -8.631 1.00 0.00 H new ATOM 0 HB ILE A 69 14.385 -1.309 -6.808 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.085 -3.691 -7.349 1.00 0.00 H new ATOM 0 HG13 ILE A 69 14.506 -3.796 -8.368 1.00 0.00 H new ATOM 0 HG21 ILE A 69 11.967 -1.651 -7.168 1.00 0.00 H new ATOM 0 HG22 ILE A 69 12.585 -0.262 -8.091 1.00 0.00 H new ATOM 0 HG23 ILE A 69 12.255 -1.803 -8.917 1.00 0.00 H new ATOM 0 HD11 ILE A 69 14.931 -4.785 -6.170 1.00 0.00 H new ATOM 0 HD12 ILE A 69 15.955 -3.351 -6.418 1.00 0.00 H new ATOM 0 HD13 ILE A 69 14.512 -3.245 -5.382 1.00 0.00 H new ATOM 1138 N SER A 70 13.752 -1.484 -10.983 1.00 0.00 N ATOM 1139 CA SER A 70 13.316 -2.088 -12.243 1.00 0.00 C ATOM 1140 C SER A 70 12.753 -3.488 -12.011 1.00 0.00 C ATOM 1141 O SER A 70 12.947 -4.393 -12.822 1.00 0.00 O ATOM 1142 CB SER A 70 14.482 -2.152 -13.231 1.00 0.00 C ATOM 1143 OG SER A 70 14.026 -2.455 -14.538 1.00 0.00 O ATOM 0 H SER A 70 13.367 -0.556 -10.804 1.00 0.00 H new ATOM 0 HA SER A 70 12.526 -1.464 -12.662 1.00 0.00 H new ATOM 0 HB2 SER A 70 15.009 -1.198 -13.238 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.196 -2.909 -12.907 1.00 0.00 H new ATOM 0 HG SER A 70 13.512 -3.289 -14.520 1.00 0.00 H new ATOM 1149 N ASP A 71 12.065 -3.654 -10.889 1.00 0.00 N ATOM 1150 CA ASP A 71 11.475 -4.936 -10.522 1.00 0.00 C ATOM 1151 C ASP A 71 9.954 -4.827 -10.430 1.00 0.00 C ATOM 1152 O ASP A 71 9.380 -5.085 -9.378 1.00 0.00 O ATOM 1153 CB ASP A 71 12.046 -5.387 -9.174 1.00 0.00 C ATOM 1154 CG ASP A 71 12.396 -6.863 -9.154 1.00 0.00 C ATOM 1155 OD1 ASP A 71 13.050 -7.331 -10.109 1.00 0.00 O ATOM 1156 OD2 ASP A 71 12.016 -7.549 -8.182 1.00 0.00 O ATOM 0 H ASP A 71 11.900 -2.910 -10.211 1.00 0.00 H new ATOM 0 HA ASP A 71 11.719 -5.669 -11.291 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.938 -4.803 -8.947 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.320 -5.179 -8.388 1.00 0.00 H new ATOM 1161 N TYR A 72 9.313 -4.429 -11.537 1.00 0.00 N ATOM 1162 CA TYR A 72 7.853 -4.250 -11.602 1.00 0.00 C ATOM 1163 C TYR A 72 7.091 -5.253 -10.740 1.00 0.00 C ATOM 1164 O TYR A 72 6.021 -4.945 -10.203 1.00 0.00 O ATOM 1165 CB TYR A 72 7.376 -4.343 -13.048 1.00 0.00 C ATOM 1166 CG TYR A 72 7.940 -5.526 -13.803 1.00 0.00 C ATOM 1167 CD1 TYR A 72 9.194 -5.464 -14.398 1.00 0.00 C ATOM 1168 CD2 TYR A 72 7.217 -6.707 -13.920 1.00 0.00 C ATOM 1169 CE1 TYR A 72 9.711 -6.544 -15.088 1.00 0.00 C ATOM 1170 CE2 TYR A 72 7.727 -7.791 -14.609 1.00 0.00 C ATOM 1171 CZ TYR A 72 8.974 -7.705 -15.191 1.00 0.00 C ATOM 1172 OH TYR A 72 9.485 -8.782 -15.877 1.00 0.00 O ATOM 0 H TYR A 72 9.791 -4.221 -12.414 1.00 0.00 H new ATOM 0 HA TYR A 72 7.641 -3.259 -11.202 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.288 -4.403 -13.058 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.650 -3.426 -13.571 1.00 0.00 H new ATOM 0 HD1 TYR A 72 9.774 -4.557 -14.320 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.240 -6.779 -13.465 1.00 0.00 H new ATOM 0 HE1 TYR A 72 10.688 -6.479 -15.544 1.00 0.00 H new ATOM 0 HE2 TYR A 72 7.152 -8.701 -14.691 1.00 0.00 H new ATOM 0 HH TYR A 72 8.841 -9.520 -15.854 1.00 0.00 H new ATOM 1182 N GLN A 73 7.636 -6.445 -10.601 1.00 0.00 N ATOM 1183 CA GLN A 73 7.000 -7.467 -9.799 1.00 0.00 C ATOM 1184 C GLN A 73 7.067 -7.087 -8.317 1.00 0.00 C ATOM 1185 O GLN A 73 6.085 -7.212 -7.572 1.00 0.00 O ATOM 1186 CB GLN A 73 7.680 -8.805 -10.091 1.00 0.00 C ATOM 1187 CG GLN A 73 8.712 -9.238 -9.065 1.00 0.00 C ATOM 1188 CD GLN A 73 8.110 -10.113 -7.980 1.00 0.00 C ATOM 1189 OE1 GLN A 73 7.869 -9.523 -6.814 1.00 0.00 O flip ATOM 1190 NE2 GLN A 73 7.866 -11.301 -8.188 1.00 0.00 N flip ATOM 0 H GLN A 73 8.516 -6.728 -11.032 1.00 0.00 H new ATOM 0 HA GLN A 73 5.944 -7.558 -10.052 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.914 -9.577 -10.161 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.163 -8.745 -11.066 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.513 -9.782 -9.565 1.00 0.00 H new ATOM 0 HG3 GLN A 73 9.162 -8.356 -8.610 1.00 0.00 H new ATOM 0 HE21 GLN A 73 8.068 -11.711 -9.100 1.00 0.00 H new ATOM 0 HE22 GLN A 73 7.462 -11.876 -7.449 1.00 0.00 H new ATOM 1199 N GLN A 74 8.222 -6.575 -7.907 1.00 0.00 N ATOM 1200 CA GLN A 74 8.419 -6.137 -6.540 1.00 0.00 C ATOM 1201 C GLN A 74 7.513 -4.959 -6.261 1.00 0.00 C ATOM 1202 O GLN A 74 7.168 -4.683 -5.116 1.00 0.00 O ATOM 1203 CB GLN A 74 9.879 -5.740 -6.318 1.00 0.00 C ATOM 1204 CG GLN A 74 10.407 -6.095 -4.941 1.00 0.00 C ATOM 1205 CD GLN A 74 11.503 -5.157 -4.475 1.00 0.00 C ATOM 1206 OE1 GLN A 74 11.928 -4.264 -5.209 1.00 0.00 O ATOM 1207 NE2 GLN A 74 11.969 -5.357 -3.247 1.00 0.00 N ATOM 0 H GLN A 74 9.037 -6.455 -8.509 1.00 0.00 H new ATOM 0 HA GLN A 74 8.176 -6.953 -5.860 1.00 0.00 H new ATOM 0 HB2 GLN A 74 10.497 -6.229 -7.071 1.00 0.00 H new ATOM 0 HB3 GLN A 74 9.981 -4.665 -6.470 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.586 -6.072 -4.225 1.00 0.00 H new ATOM 0 HG3 GLN A 74 10.789 -7.116 -4.955 1.00 0.00 H new ATOM 0 HE21 GLN A 74 11.588 -6.109 -2.673 1.00 0.00 H new ATOM 0 HE22 GLN A 74 12.708 -4.758 -2.878 1.00 0.00 H new ATOM 1216 N LEU A 75 7.135 -4.266 -7.329 1.00 0.00 N ATOM 1217 CA LEU A 75 6.280 -3.116 -7.224 1.00 0.00 C ATOM 1218 C LEU A 75 4.938 -3.484 -6.678 1.00 0.00 C ATOM 1219 O LEU A 75 4.599 -3.115 -5.566 1.00 0.00 O ATOM 1220 CB LEU A 75 6.151 -2.452 -8.566 1.00 0.00 C ATOM 1221 CG LEU A 75 7.403 -1.714 -8.949 1.00 0.00 C ATOM 1222 CD1 LEU A 75 7.673 -0.639 -7.922 1.00 0.00 C ATOM 1223 CD2 LEU A 75 8.579 -2.664 -9.021 1.00 0.00 C ATOM 0 H LEU A 75 7.417 -4.493 -8.282 1.00 0.00 H new ATOM 0 HA LEU A 75 6.732 -2.412 -6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.927 -3.204 -9.323 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.311 -1.757 -8.548 1.00 0.00 H new ATOM 0 HG LEU A 75 7.267 -1.263 -9.932 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.580 -0.098 -8.192 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.832 0.054 -7.891 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.802 -1.097 -6.941 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.476 -2.112 -9.300 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.729 -3.132 -8.048 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.380 -3.433 -9.767 1.00 0.00 H new ATOM 1235 N GLU A 76 4.159 -4.231 -7.425 1.00 0.00 N ATOM 1236 CA GLU A 76 2.871 -4.608 -6.885 1.00 0.00 C ATOM 1237 C GLU A 76 3.049 -5.351 -5.569 1.00 0.00 C ATOM 1238 O GLU A 76 2.114 -5.460 -4.785 1.00 0.00 O ATOM 1239 CB GLU A 76 2.029 -5.414 -7.841 1.00 0.00 C ATOM 1240 CG GLU A 76 0.559 -5.274 -7.502 1.00 0.00 C ATOM 1241 CD GLU A 76 -0.332 -6.248 -8.248 1.00 0.00 C ATOM 1242 OE1 GLU A 76 0.204 -7.140 -8.937 1.00 0.00 O ATOM 1243 OE2 GLU A 76 -1.569 -6.125 -8.131 1.00 0.00 O ATOM 0 H GLU A 76 4.376 -4.576 -8.360 1.00 0.00 H new ATOM 0 HA GLU A 76 2.325 -3.681 -6.711 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.206 -5.078 -8.863 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.320 -6.463 -7.795 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.426 -5.421 -6.430 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.238 -4.257 -7.726 1.00 0.00 H new ATOM 1250 N SER A 77 4.275 -5.789 -5.283 1.00 0.00 N ATOM 1251 CA SER A 77 4.542 -6.421 -4.010 1.00 0.00 C ATOM 1252 C SER A 77 4.405 -5.326 -2.967 1.00 0.00 C ATOM 1253 O SER A 77 4.007 -5.548 -1.826 1.00 0.00 O ATOM 1254 CB SER A 77 5.945 -7.032 -3.977 1.00 0.00 C ATOM 1255 OG SER A 77 5.997 -8.147 -3.105 1.00 0.00 O ATOM 0 H SER A 77 5.078 -5.716 -5.907 1.00 0.00 H new ATOM 0 HA SER A 77 3.849 -7.241 -3.824 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.235 -7.339 -4.982 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.665 -6.280 -3.654 1.00 0.00 H new ATOM 0 HG SER A 77 6.903 -8.519 -3.104 1.00 0.00 H new ATOM 1261 N ILE A 78 4.707 -4.120 -3.429 1.00 0.00 N ATOM 1262 CA ILE A 78 4.610 -2.920 -2.638 1.00 0.00 C ATOM 1263 C ILE A 78 3.158 -2.526 -2.467 1.00 0.00 C ATOM 1264 O ILE A 78 2.663 -2.327 -1.356 1.00 0.00 O ATOM 1265 CB ILE A 78 5.354 -1.728 -3.328 1.00 0.00 C ATOM 1266 CG1 ILE A 78 4.420 -0.920 -4.264 1.00 0.00 C ATOM 1267 CG2 ILE A 78 6.561 -2.199 -4.109 1.00 0.00 C ATOM 1268 CD1 ILE A 78 4.632 0.567 -4.193 1.00 0.00 C ATOM 0 H ILE A 78 5.031 -3.955 -4.382 1.00 0.00 H new ATOM 0 HA ILE A 78 5.069 -3.128 -1.671 1.00 0.00 H new ATOM 0 HB ILE A 78 5.686 -1.074 -2.522 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.574 -1.251 -5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.384 -1.143 -4.009 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.051 -1.343 -4.573 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.259 -2.695 -3.435 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.244 -2.899 -4.882 1.00 0.00 H new ATOM 0 HD11 ILE A 78 3.943 1.066 -4.875 1.00 0.00 H new ATOM 0 HD12 ILE A 78 4.449 0.912 -3.176 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.658 0.802 -4.477 1.00 0.00 H new ATOM 1280 N TYR A 79 2.503 -2.385 -3.611 1.00 0.00 N ATOM 1281 CA TYR A 79 1.133 -1.968 -3.672 1.00 0.00 C ATOM 1282 C TYR A 79 0.238 -3.043 -3.129 1.00 0.00 C ATOM 1283 O TYR A 79 -0.518 -2.832 -2.187 1.00 0.00 O ATOM 1284 CB TYR A 79 0.760 -1.641 -5.124 1.00 0.00 C ATOM 1285 CG TYR A 79 -0.591 -0.964 -5.293 1.00 0.00 C ATOM 1286 CD1 TYR A 79 -1.727 -1.419 -4.628 1.00 0.00 C ATOM 1287 CD2 TYR A 79 -0.726 0.139 -6.127 1.00 0.00 C ATOM 1288 CE1 TYR A 79 -2.949 -0.793 -4.790 1.00 0.00 C ATOM 1289 CE2 TYR A 79 -1.946 0.769 -6.291 1.00 0.00 C ATOM 1290 CZ TYR A 79 -3.052 0.299 -5.621 1.00 0.00 C ATOM 1291 OH TYR A 79 -4.268 0.924 -5.782 1.00 0.00 O ATOM 0 H TYR A 79 2.923 -2.561 -4.524 1.00 0.00 H new ATOM 0 HA TYR A 79 1.002 -1.074 -3.062 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.530 -0.996 -5.547 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.764 -2.564 -5.703 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.652 -2.276 -3.975 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.138 0.511 -6.657 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -3.819 -1.160 -4.266 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.030 1.626 -6.942 1.00 0.00 H new ATOM 0 HH TYR A 79 -4.668 0.646 -6.632 1.00 0.00 H new ATOM 1301 N PHE A 80 0.322 -4.186 -3.760 1.00 0.00 N ATOM 1302 CA PHE A 80 -0.514 -5.321 -3.396 1.00 0.00 C ATOM 1303 C PHE A 80 -0.045 -6.089 -2.163 1.00 0.00 C ATOM 1304 O PHE A 80 -0.867 -6.429 -1.307 1.00 0.00 O ATOM 1305 CB PHE A 80 -0.624 -6.288 -4.588 1.00 0.00 C ATOM 1306 CG PHE A 80 -1.192 -7.650 -4.264 1.00 0.00 C ATOM 1307 CD1 PHE A 80 -2.149 -7.814 -3.275 1.00 0.00 C ATOM 1308 CD2 PHE A 80 -0.761 -8.768 -4.961 1.00 0.00 C ATOM 1309 CE1 PHE A 80 -2.664 -9.064 -2.987 1.00 0.00 C ATOM 1310 CE2 PHE A 80 -1.272 -10.020 -4.678 1.00 0.00 C ATOM 1311 CZ PHE A 80 -2.225 -10.169 -3.690 1.00 0.00 C ATOM 0 H PHE A 80 0.962 -4.364 -4.534 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.485 -4.899 -3.136 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.247 -5.825 -5.354 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.368 -6.420 -5.021 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.497 -6.954 -2.722 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -0.016 -8.659 -5.735 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.409 -9.177 -2.213 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.926 -10.882 -5.229 1.00 0.00 H new ATOM 0 HZ PHE A 80 -2.626 -11.147 -3.468 1.00 0.00 H new ATOM 1321 N ARG A 81 1.241 -6.428 -2.095 1.00 0.00 N ATOM 1322 CA ARG A 81 1.719 -7.260 -0.992 1.00 0.00 C ATOM 1323 C ARG A 81 1.967 -6.525 0.316 1.00 0.00 C ATOM 1324 O ARG A 81 1.961 -7.157 1.373 1.00 0.00 O ATOM 1325 CB ARG A 81 2.962 -8.039 -1.414 1.00 0.00 C ATOM 1326 CG ARG A 81 2.645 -9.320 -2.172 1.00 0.00 C ATOM 1327 CD ARG A 81 1.757 -9.061 -3.385 1.00 0.00 C ATOM 1328 NE ARG A 81 2.436 -9.381 -4.638 1.00 0.00 N ATOM 1329 CZ ARG A 81 2.570 -10.617 -5.115 1.00 0.00 C ATOM 1330 NH1 ARG A 81 2.076 -11.651 -4.446 1.00 0.00 N ATOM 1331 NH2 ARG A 81 3.202 -10.818 -6.263 1.00 0.00 N ATOM 0 H ARG A 81 1.953 -6.149 -2.770 1.00 0.00 H new ATOM 0 HA ARG A 81 0.898 -7.944 -0.776 1.00 0.00 H new ATOM 0 HB2 ARG A 81 3.587 -7.401 -2.039 1.00 0.00 H new ATOM 0 HB3 ARG A 81 3.546 -8.286 -0.527 1.00 0.00 H new ATOM 0 HG2 ARG A 81 3.574 -9.789 -2.496 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.149 -10.024 -1.503 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.848 -9.657 -3.303 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.452 -8.014 -3.395 1.00 0.00 H new ATOM 0 HE ARG A 81 2.831 -8.612 -5.180 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.591 -11.501 -3.561 1.00 0.00 H new ATOM 0 HH12 ARG A 81 2.182 -12.596 -4.816 1.00 0.00 H new ATOM 0 HH21 ARG A 81 3.585 -10.026 -6.780 1.00 0.00 H new ATOM 0 HH22 ARG A 81 3.305 -11.764 -6.629 1.00 0.00 H new ATOM 1345 N ILE A 82 2.183 -5.219 0.286 1.00 0.00 N ATOM 1346 CA ILE A 82 2.422 -4.509 1.533 1.00 0.00 C ATOM 1347 C ILE A 82 1.216 -3.677 1.954 1.00 0.00 C ATOM 1348 O ILE A 82 0.992 -3.477 3.147 1.00 0.00 O ATOM 1349 CB ILE A 82 3.685 -3.630 1.471 1.00 0.00 C ATOM 1350 CG1 ILE A 82 4.881 -4.471 1.022 1.00 0.00 C ATOM 1351 CG2 ILE A 82 3.961 -3.012 2.836 1.00 0.00 C ATOM 1352 CD1 ILE A 82 6.054 -3.649 0.537 1.00 0.00 C ATOM 0 H ILE A 82 2.198 -4.645 -0.557 1.00 0.00 H new ATOM 0 HA ILE A 82 2.587 -5.275 2.290 1.00 0.00 H new ATOM 0 HB ILE A 82 3.525 -2.828 0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.206 -5.097 1.853 1.00 0.00 H new ATOM 0 HG13 ILE A 82 4.563 -5.141 0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.856 -2.393 2.781 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.112 -2.397 3.135 1.00 0.00 H new ATOM 0 HG23 ILE A 82 4.112 -3.804 3.570 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.864 -4.313 0.236 1.00 0.00 H new ATOM 0 HD12 ILE A 82 5.746 -3.043 -0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 82 6.399 -2.998 1.340 1.00 0.00 H new ATOM 1364 N LEU A 83 0.426 -3.203 0.992 1.00 0.00 N ATOM 1365 CA LEU A 83 -0.748 -2.409 1.330 1.00 0.00 C ATOM 1366 C LEU A 83 -1.711 -2.281 0.158 1.00 0.00 C ATOM 1367 O LEU A 83 -2.054 -1.168 -0.228 1.00 0.00 O ATOM 1368 CB LEU A 83 -0.334 -1.012 1.788 1.00 0.00 C ATOM 1369 CG LEU A 83 0.413 -0.174 0.752 1.00 0.00 C ATOM 1370 CD1 LEU A 83 0.209 1.305 1.030 1.00 0.00 C ATOM 1371 CD2 LEU A 83 1.896 -0.514 0.751 1.00 0.00 C ATOM 0 H LEU A 83 0.574 -3.352 -0.006 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.259 -2.932 2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.229 -0.469 2.092 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.296 -1.110 2.672 1.00 0.00 H new ATOM 0 HG LEU A 83 0.010 -0.405 -0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.746 1.893 0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.854 1.541 0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.588 1.544 2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.408 0.095 0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.316 -0.312 1.736 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.027 -1.569 0.510 1.00 0.00 H new ATOM 1383 N LEU A 84 -2.170 -3.398 -0.413 1.00 0.00 N ATOM 1384 CA LEU A 84 -3.099 -3.312 -1.534 1.00 0.00 C ATOM 1385 C LEU A 84 -4.257 -2.347 -1.172 1.00 0.00 C ATOM 1386 O LEU A 84 -4.299 -1.211 -1.645 1.00 0.00 O ATOM 1387 CB LEU A 84 -3.580 -4.734 -1.937 1.00 0.00 C ATOM 1388 CG LEU A 84 -4.552 -4.807 -3.117 1.00 0.00 C ATOM 1389 CD1 LEU A 84 -4.775 -3.428 -3.664 1.00 0.00 C ATOM 1390 CD2 LEU A 84 -4.036 -5.737 -4.205 1.00 0.00 C ATOM 0 H LEU A 84 -1.921 -4.345 -0.126 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.603 -2.897 -2.412 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.704 -5.337 -2.176 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.057 -5.193 -1.071 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.499 -5.215 -2.763 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.467 -3.478 -4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.195 -2.791 -2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.825 -3.012 -4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.750 -5.766 -5.028 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.076 -5.372 -4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.912 -6.740 -3.797 1.00 0.00 H new ATOM 1402 N PRO A 85 -5.173 -2.782 -0.303 1.00 0.00 N ATOM 1403 CA PRO A 85 -6.318 -2.004 0.191 1.00 0.00 C ATOM 1404 C PRO A 85 -5.993 -0.536 0.487 1.00 0.00 C ATOM 1405 O PRO A 85 -6.583 0.365 -0.105 1.00 0.00 O ATOM 1406 CB PRO A 85 -6.671 -2.738 1.507 1.00 0.00 C ATOM 1407 CG PRO A 85 -5.564 -3.731 1.697 1.00 0.00 C ATOM 1408 CD PRO A 85 -5.158 -4.079 0.312 1.00 0.00 C ATOM 0 HA PRO A 85 -7.117 -1.956 -0.549 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.728 -2.043 2.345 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -7.640 -3.233 1.437 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -4.735 -3.303 2.261 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -5.904 -4.609 2.247 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -4.173 -4.544 0.274 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.855 -4.770 -0.162 1.00 0.00 H new ATOM 1416 N TYR A 86 -5.075 -0.304 1.428 1.00 0.00 N ATOM 1417 CA TYR A 86 -4.694 1.055 1.832 1.00 0.00 C ATOM 1418 C TYR A 86 -4.575 2.001 0.641 1.00 0.00 C ATOM 1419 O TYR A 86 -4.984 3.159 0.714 1.00 0.00 O ATOM 1420 CB TYR A 86 -3.377 1.033 2.608 1.00 0.00 C ATOM 1421 CG TYR A 86 -3.177 2.251 3.483 1.00 0.00 C ATOM 1422 CD1 TYR A 86 -4.218 2.755 4.254 1.00 0.00 C ATOM 1423 CD2 TYR A 86 -1.950 2.899 3.535 1.00 0.00 C ATOM 1424 CE1 TYR A 86 -4.041 3.870 5.051 1.00 0.00 C ATOM 1425 CE2 TYR A 86 -1.765 4.015 4.331 1.00 0.00 C ATOM 1426 CZ TYR A 86 -2.813 4.496 5.086 1.00 0.00 C ATOM 1427 OH TYR A 86 -2.633 5.606 5.878 1.00 0.00 O ATOM 0 H TYR A 86 -4.579 -1.042 1.927 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.491 1.430 2.474 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -3.345 0.138 3.230 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -2.549 0.961 1.903 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.181 2.267 4.230 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -1.127 2.526 2.944 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -4.860 4.249 5.644 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -0.804 4.507 4.361 1.00 0.00 H new ATOM 0 HH TYR A 86 -1.776 6.028 5.660 1.00 0.00 H new ATOM 1437 N GLU A 87 -4.012 1.505 -0.448 1.00 0.00 N ATOM 1438 CA GLU A 87 -3.836 2.310 -1.649 1.00 0.00 C ATOM 1439 C GLU A 87 -5.112 2.329 -2.478 1.00 0.00 C ATOM 1440 O GLU A 87 -5.542 3.380 -2.952 1.00 0.00 O ATOM 1441 CB GLU A 87 -2.683 1.756 -2.480 1.00 0.00 C ATOM 1442 CG GLU A 87 -1.570 1.160 -1.638 1.00 0.00 C ATOM 1443 CD GLU A 87 -0.255 1.072 -2.391 1.00 0.00 C ATOM 1444 OE1 GLU A 87 -0.277 1.169 -3.635 1.00 0.00 O ATOM 1445 OE2 GLU A 87 0.797 0.914 -1.738 1.00 0.00 O ATOM 0 H GLU A 87 -3.668 0.548 -0.527 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.606 3.332 -1.349 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.066 0.992 -3.157 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.274 2.554 -3.099 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.432 1.766 -0.742 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.863 0.164 -1.307 1.00 0.00 H new ATOM 1452 N ARG A 88 -5.708 1.156 -2.647 1.00 0.00 N ATOM 1453 CA ARG A 88 -6.940 1.021 -3.423 1.00 0.00 C ATOM 1454 C ARG A 88 -8.175 1.412 -2.608 1.00 0.00 C ATOM 1455 O ARG A 88 -9.305 1.181 -3.037 1.00 0.00 O ATOM 1456 CB ARG A 88 -7.089 -0.417 -3.914 1.00 0.00 C ATOM 1457 CG ARG A 88 -8.036 -0.564 -5.096 1.00 0.00 C ATOM 1458 CD ARG A 88 -9.294 -1.335 -4.720 1.00 0.00 C ATOM 1459 NE ARG A 88 -9.376 -2.619 -5.413 1.00 0.00 N ATOM 1460 CZ ARG A 88 -8.791 -3.736 -4.983 1.00 0.00 C ATOM 1461 NH1 ARG A 88 -8.076 -3.734 -3.864 1.00 0.00 N ATOM 1462 NH2 ARG A 88 -8.921 -4.859 -5.675 1.00 0.00 N ATOM 0 H ARG A 88 -5.359 0.280 -2.257 1.00 0.00 H new ATOM 0 HA ARG A 88 -6.869 1.701 -4.272 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.108 -0.799 -4.196 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -7.448 -1.037 -3.093 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -8.312 0.424 -5.466 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -7.524 -1.078 -5.910 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -9.308 -1.503 -3.643 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -10.172 -0.736 -4.961 1.00 0.00 H new ATOM 0 HE ARG A 88 -9.914 -2.663 -6.279 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -7.972 -2.873 -3.327 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -7.631 -4.593 -3.541 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -9.468 -4.867 -6.536 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -8.474 -5.715 -5.347 1.00 0.00 H new ATOM 1476 N HIS A 89 -7.958 1.989 -1.431 1.00 0.00 N ATOM 1477 CA HIS A 89 -9.059 2.390 -0.562 1.00 0.00 C ATOM 1478 C HIS A 89 -9.634 3.747 -0.962 1.00 0.00 C ATOM 1479 O HIS A 89 -10.806 3.850 -1.322 1.00 0.00 O ATOM 1480 CB HIS A 89 -8.588 2.437 0.893 1.00 0.00 C ATOM 1481 CG HIS A 89 -9.705 2.547 1.882 1.00 0.00 C ATOM 1482 ND1 HIS A 89 -10.832 1.753 1.837 1.00 0.00 N ATOM 1483 CD2 HIS A 89 -9.865 3.363 2.951 1.00 0.00 C ATOM 1484 CE1 HIS A 89 -11.636 2.076 2.834 1.00 0.00 C ATOM 1485 NE2 HIS A 89 -11.072 3.050 3.525 1.00 0.00 N ATOM 0 H HIS A 89 -7.031 2.189 -1.057 1.00 0.00 H new ATOM 0 HA HIS A 89 -9.850 1.647 -0.670 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -8.011 1.538 1.108 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -7.916 3.285 1.021 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -9.172 4.119 3.289 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -12.592 1.621 3.048 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -11.469 3.497 4.351 1.00 0.00 H new