USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 670 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 40 GLN : amide:sc= 0.932 K(o=1.3,f=-0.52) USER MOD Set 1.2: A 44 GLN : amide:sc= 0.358 K(o=1.3,f=-1.5) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.581 USER MOD Single : A 11 ASN : amide:sc= -0.443 K(o=-0.44,f=-2.4!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.506 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -116:sc= -1.54 (180deg=-5.43!) USER MOD Single : A 47 ASN : amide:sc= -0.374 X(o=-0.37,f=0) USER MOD Single : A 50 ASN : amide:sc= 0.00191 X(o=0.0019,f=-0.47) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.437 USER MOD Single : A 54 GLN : amide:sc= -2.74 K(o=-2.7,f=-5.1!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -0.297 K(o=-0.3,f=-1) USER MOD Single : A 65 CYS SG : rot 158:sc= -0.35 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.0185 X(o=-0.019,f=-0.019) USER MOD Single : A 74 LYS NZ :NH3+ -108:sc= -0.142 (180deg=-0.456) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.062) USER MOD Single : A 85 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD ----------------------------------------------------------------- ATOM 57 N LYS A 2 15.098 7.579 -2.409 1.00 0.00 N ATOM 58 CA LYS A 2 15.859 8.389 -3.353 1.00 0.00 C ATOM 59 C LYS A 2 17.355 8.124 -3.213 1.00 0.00 C ATOM 60 O LYS A 2 17.779 7.346 -2.360 1.00 0.00 O ATOM 61 CB LYS A 2 15.571 9.875 -3.130 1.00 0.00 C ATOM 62 CG LYS A 2 14.410 10.400 -3.957 1.00 0.00 C ATOM 63 CD LYS A 2 13.086 10.230 -3.230 1.00 0.00 C ATOM 64 CE LYS A 2 11.907 10.361 -4.182 1.00 0.00 C ATOM 65 NZ LYS A 2 10.740 9.551 -3.734 1.00 0.00 N ATOM 0 HA LYS A 2 15.551 8.113 -4.361 1.00 0.00 H new ATOM 0 HB2 LYS A 2 15.358 10.041 -2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 2 16.466 10.450 -3.369 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.570 11.454 -4.182 1.00 0.00 H new ATOM 0 HG3 LYS A 2 14.373 9.873 -4.910 1.00 0.00 H new ATOM 0 HD2 LYS A 2 13.058 9.254 -2.746 1.00 0.00 H new ATOM 0 HD3 LYS A 2 13.004 10.978 -2.442 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.615 11.409 -4.256 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.209 10.042 -5.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 9.957 9.667 -4.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.011 8.548 -3.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.436 9.872 -2.793 1.00 0.00 H new ATOM 79 N GLU A 3 18.148 8.777 -4.057 1.00 0.00 N ATOM 80 CA GLU A 3 19.597 8.611 -4.026 1.00 0.00 C ATOM 81 C GLU A 3 20.301 9.962 -4.109 1.00 0.00 C ATOM 82 O GLU A 3 19.815 10.888 -4.759 1.00 0.00 O ATOM 83 CB GLU A 3 20.054 7.714 -5.178 1.00 0.00 C ATOM 84 CG GLU A 3 19.992 8.389 -6.538 1.00 0.00 C ATOM 85 CD GLU A 3 20.460 7.484 -7.661 1.00 0.00 C ATOM 86 OE1 GLU A 3 19.908 6.372 -7.795 1.00 0.00 O ATOM 87 OE2 GLU A 3 21.378 7.888 -8.405 1.00 0.00 O ATOM 0 H GLU A 3 17.812 9.425 -4.770 1.00 0.00 H new ATOM 0 HA GLU A 3 19.863 8.140 -3.080 1.00 0.00 H new ATOM 0 HB2 GLU A 3 21.077 7.389 -4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 3 19.433 6.818 -5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 3 18.968 8.707 -6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 3 20.607 9.289 -6.521 1.00 0.00 H new ATOM 94 N ILE A 4 21.448 10.066 -3.445 1.00 0.00 N ATOM 95 CA ILE A 4 22.219 11.303 -3.444 1.00 0.00 C ATOM 96 C ILE A 4 23.452 11.183 -4.333 1.00 0.00 C ATOM 97 O ILE A 4 24.135 10.159 -4.329 1.00 0.00 O ATOM 98 CB ILE A 4 22.662 11.688 -2.020 1.00 0.00 C ATOM 99 CG1 ILE A 4 23.203 13.120 -2.001 1.00 0.00 C ATOM 100 CG2 ILE A 4 23.713 10.713 -1.510 1.00 0.00 C ATOM 101 CD1 ILE A 4 24.688 13.209 -2.273 1.00 0.00 C ATOM 0 H ILE A 4 21.863 9.309 -2.902 1.00 0.00 H new ATOM 0 HA ILE A 4 21.566 12.083 -3.836 1.00 0.00 H new ATOM 0 HB ILE A 4 21.796 11.637 -1.360 1.00 0.00 H new ATOM 0 HG12 ILE A 4 22.670 13.711 -2.745 1.00 0.00 H new ATOM 0 HG13 ILE A 4 22.993 13.566 -1.029 1.00 0.00 H new ATOM 0 HG21 ILE A 4 24.016 10.999 -0.503 1.00 0.00 H new ATOM 0 HG22 ILE A 4 23.297 9.706 -1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 4 24.580 10.735 -2.170 1.00 0.00 H new ATOM 0 HD11 ILE A 4 25.001 14.253 -2.244 1.00 0.00 H new ATOM 0 HD12 ILE A 4 25.231 12.646 -1.514 1.00 0.00 H new ATOM 0 HD13 ILE A 4 24.903 12.793 -3.257 1.00 0.00 H new ATOM 113 N ILE A 5 23.731 12.236 -5.094 1.00 0.00 N ATOM 114 CA ILE A 5 24.883 12.250 -5.986 1.00 0.00 C ATOM 115 C ILE A 5 25.696 13.529 -5.815 1.00 0.00 C ATOM 116 O ILE A 5 25.141 14.628 -5.761 1.00 0.00 O ATOM 117 CB ILE A 5 24.456 12.120 -7.460 1.00 0.00 C ATOM 118 CG1 ILE A 5 23.277 11.153 -7.588 1.00 0.00 C ATOM 119 CG2 ILE A 5 25.627 11.651 -8.311 1.00 0.00 C ATOM 120 CD1 ILE A 5 22.826 10.935 -9.015 1.00 0.00 C ATOM 0 H ILE A 5 23.175 13.091 -5.110 1.00 0.00 H new ATOM 0 HA ILE A 5 25.499 11.392 -5.718 1.00 0.00 H new ATOM 0 HB ILE A 5 24.140 13.099 -7.819 1.00 0.00 H new ATOM 0 HG12 ILE A 5 23.556 10.193 -7.153 1.00 0.00 H new ATOM 0 HG13 ILE A 5 22.439 11.535 -7.005 1.00 0.00 H new ATOM 0 HG21 ILE A 5 25.310 11.564 -9.350 1.00 0.00 H new ATOM 0 HG22 ILE A 5 26.441 12.373 -8.239 1.00 0.00 H new ATOM 0 HG23 ILE A 5 25.970 10.680 -7.954 1.00 0.00 H new ATOM 0 HD11 ILE A 5 21.987 10.239 -9.029 1.00 0.00 H new ATOM 0 HD12 ILE A 5 22.515 11.886 -9.448 1.00 0.00 H new ATOM 0 HD13 ILE A 5 23.650 10.523 -9.598 1.00 0.00 H new ATOM 132 N LEU A 6 27.013 13.381 -5.733 1.00 0.00 N ATOM 133 CA LEU A 6 27.904 14.524 -5.571 1.00 0.00 C ATOM 134 C LEU A 6 28.800 14.695 -6.794 1.00 0.00 C ATOM 135 O LEU A 6 29.561 13.795 -7.148 1.00 0.00 O ATOM 136 CB LEU A 6 28.761 14.354 -4.316 1.00 0.00 C ATOM 137 CG LEU A 6 29.540 13.042 -4.208 1.00 0.00 C ATOM 138 CD1 LEU A 6 30.997 13.253 -4.590 1.00 0.00 C ATOM 139 CD2 LEU A 6 29.433 12.472 -2.801 1.00 0.00 C ATOM 0 H LEU A 6 27.488 12.479 -5.776 1.00 0.00 H new ATOM 0 HA LEU A 6 27.291 15.419 -5.466 1.00 0.00 H new ATOM 0 HB2 LEU A 6 29.471 15.180 -4.271 1.00 0.00 H new ATOM 0 HB3 LEU A 6 28.114 14.442 -3.444 1.00 0.00 H new ATOM 0 HG LEU A 6 29.104 12.325 -4.903 1.00 0.00 H new ATOM 0 HD11 LEU A 6 31.535 12.309 -4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 6 31.055 13.615 -5.616 1.00 0.00 H new ATOM 0 HD13 LEU A 6 31.446 13.987 -3.921 1.00 0.00 H new ATOM 0 HD21 LEU A 6 29.993 11.539 -2.743 1.00 0.00 H new ATOM 0 HD22 LEU A 6 29.843 13.186 -2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 6 28.386 12.282 -2.564 1.00 0.00 H new ATOM 151 N TYR A 7 28.705 15.856 -7.433 1.00 0.00 N ATOM 152 CA TYR A 7 29.506 16.145 -8.616 1.00 0.00 C ATOM 153 C TYR A 7 30.741 16.962 -8.251 1.00 0.00 C ATOM 154 O TYR A 7 30.646 18.150 -7.938 1.00 0.00 O ATOM 155 CB TYR A 7 28.671 16.897 -9.652 1.00 0.00 C ATOM 156 CG TYR A 7 27.526 16.084 -10.214 1.00 0.00 C ATOM 157 CD1 TYR A 7 27.742 15.145 -11.215 1.00 0.00 C ATOM 158 CD2 TYR A 7 26.230 16.256 -9.745 1.00 0.00 C ATOM 159 CE1 TYR A 7 26.699 14.400 -11.732 1.00 0.00 C ATOM 160 CE2 TYR A 7 25.182 15.514 -10.255 1.00 0.00 C ATOM 161 CZ TYR A 7 25.421 14.588 -11.248 1.00 0.00 C ATOM 162 OH TYR A 7 24.380 13.848 -11.760 1.00 0.00 O ATOM 0 H TYR A 7 28.081 16.612 -7.151 1.00 0.00 H new ATOM 0 HA TYR A 7 29.833 15.197 -9.043 1.00 0.00 H new ATOM 0 HB2 TYR A 7 28.272 17.803 -9.196 1.00 0.00 H new ATOM 0 HB3 TYR A 7 29.319 17.210 -10.471 1.00 0.00 H new ATOM 0 HD1 TYR A 7 28.742 14.995 -11.595 1.00 0.00 H new ATOM 0 HD2 TYR A 7 26.038 16.982 -8.969 1.00 0.00 H new ATOM 0 HE1 TYR A 7 26.884 13.675 -12.511 1.00 0.00 H new ATOM 0 HE2 TYR A 7 24.180 15.659 -9.878 1.00 0.00 H new ATOM 0 HH TYR A 7 23.547 14.101 -11.311 1.00 0.00 H new ATOM 172 N THR A 8 31.904 16.318 -8.294 1.00 0.00 N ATOM 173 CA THR A 8 33.159 16.983 -7.967 1.00 0.00 C ATOM 174 C THR A 8 34.338 16.026 -8.099 1.00 0.00 C ATOM 175 O THR A 8 34.169 14.864 -8.469 1.00 0.00 O ATOM 176 CB THR A 8 33.135 17.557 -6.538 1.00 0.00 C ATOM 177 OG1 THR A 8 32.040 17.000 -5.804 1.00 0.00 O ATOM 178 CG2 THR A 8 33.014 19.073 -6.566 1.00 0.00 C ATOM 0 H THR A 8 32.002 15.336 -8.552 1.00 0.00 H new ATOM 0 HA THR A 8 33.278 17.802 -8.677 1.00 0.00 H new ATOM 0 HB THR A 8 34.072 17.292 -6.048 1.00 0.00 H new ATOM 0 HG1 THR A 8 32.033 17.369 -4.896 1.00 0.00 H new ATOM 0 HG21 THR A 8 32.999 19.456 -5.546 1.00 0.00 H new ATOM 0 HG22 THR A 8 33.865 19.496 -7.100 1.00 0.00 H new ATOM 0 HG23 THR A 8 32.091 19.355 -7.073 1.00 0.00 H new ATOM 186 N ARG A 9 35.533 16.522 -7.793 1.00 0.00 N ATOM 187 CA ARG A 9 36.741 15.710 -7.878 1.00 0.00 C ATOM 188 C ARG A 9 36.963 14.928 -6.587 1.00 0.00 C ATOM 189 O ARG A 9 36.452 15.280 -5.524 1.00 0.00 O ATOM 190 CB ARG A 9 37.956 16.594 -8.167 1.00 0.00 C ATOM 191 CG ARG A 9 38.041 17.822 -7.274 1.00 0.00 C ATOM 192 CD ARG A 9 39.472 18.324 -7.153 1.00 0.00 C ATOM 193 NE ARG A 9 39.909 19.027 -8.356 1.00 0.00 N ATOM 194 CZ ARG A 9 39.463 20.227 -8.709 1.00 0.00 C ATOM 195 NH1 ARG A 9 38.572 20.855 -7.954 1.00 0.00 N ATOM 196 NH2 ARG A 9 39.908 20.802 -9.819 1.00 0.00 N ATOM 0 H ARG A 9 35.690 17.481 -7.484 1.00 0.00 H new ATOM 0 HA ARG A 9 36.614 15.000 -8.695 1.00 0.00 H new ATOM 0 HB2 ARG A 9 38.863 16.002 -8.044 1.00 0.00 H new ATOM 0 HB3 ARG A 9 37.923 16.914 -9.208 1.00 0.00 H new ATOM 0 HG2 ARG A 9 37.410 18.613 -7.680 1.00 0.00 H new ATOM 0 HG3 ARG A 9 37.654 17.581 -6.284 1.00 0.00 H new ATOM 0 HD2 ARG A 9 39.551 18.991 -6.295 1.00 0.00 H new ATOM 0 HD3 ARG A 9 40.137 17.481 -6.964 1.00 0.00 H new ATOM 0 HE ARG A 9 40.595 18.571 -8.958 1.00 0.00 H new ATOM 0 HH11 ARG A 9 38.228 20.416 -7.100 1.00 0.00 H new ATOM 0 HH12 ARG A 9 38.231 21.777 -8.227 1.00 0.00 H new ATOM 0 HH21 ARG A 9 40.594 20.322 -10.402 1.00 0.00 H new ATOM 0 HH22 ARG A 9 39.565 21.724 -10.089 1.00 0.00 H new ATOM 210 N PRO A 10 37.743 13.841 -6.679 1.00 0.00 N ATOM 211 CA PRO A 10 38.050 12.987 -5.528 1.00 0.00 C ATOM 212 C PRO A 10 38.964 13.678 -4.522 1.00 0.00 C ATOM 213 O PRO A 10 39.230 13.146 -3.445 1.00 0.00 O ATOM 214 CB PRO A 10 38.759 11.785 -6.158 1.00 0.00 C ATOM 215 CG PRO A 10 39.341 12.310 -7.425 1.00 0.00 C ATOM 216 CD PRO A 10 38.386 13.363 -7.915 1.00 0.00 C ATOM 0 HA PRO A 10 37.155 12.724 -4.965 1.00 0.00 H new ATOM 0 HB2 PRO A 10 39.534 11.392 -5.499 1.00 0.00 H new ATOM 0 HB3 PRO A 10 38.061 10.970 -6.351 1.00 0.00 H new ATOM 0 HG2 PRO A 10 40.332 12.731 -7.254 1.00 0.00 H new ATOM 0 HG3 PRO A 10 39.455 11.514 -8.161 1.00 0.00 H new ATOM 0 HD2 PRO A 10 38.907 14.168 -8.434 1.00 0.00 H new ATOM 0 HD3 PRO A 10 37.658 12.951 -8.614 1.00 0.00 H new ATOM 224 N ASN A 11 39.441 14.865 -4.880 1.00 0.00 N ATOM 225 CA ASN A 11 40.326 15.628 -4.007 1.00 0.00 C ATOM 226 C ASN A 11 39.722 16.990 -3.676 1.00 0.00 C ATOM 227 O ASN A 11 40.292 18.031 -4.004 1.00 0.00 O ATOM 228 CB ASN A 11 41.694 15.812 -4.667 1.00 0.00 C ATOM 229 CG ASN A 11 42.370 14.489 -4.974 1.00 0.00 C ATOM 230 OD1 ASN A 11 41.921 13.736 -5.839 1.00 0.00 O ATOM 231 ND2 ASN A 11 43.455 14.200 -4.265 1.00 0.00 N ATOM 0 H ASN A 11 39.230 15.320 -5.768 1.00 0.00 H new ATOM 0 HA ASN A 11 40.450 15.069 -3.079 1.00 0.00 H new ATOM 0 HB2 ASN A 11 41.576 16.379 -5.590 1.00 0.00 H new ATOM 0 HB3 ASN A 11 42.335 16.401 -4.011 1.00 0.00 H new ATOM 0 HD21 ASN A 11 43.952 13.324 -4.427 1.00 0.00 H new ATOM 0 HD22 ASN A 11 43.791 14.854 -3.558 1.00 0.00 H new ATOM 238 N CYS A 12 38.564 16.975 -3.025 1.00 0.00 N ATOM 239 CA CYS A 12 37.881 18.207 -2.649 1.00 0.00 C ATOM 240 C CYS A 12 37.734 18.306 -1.133 1.00 0.00 C ATOM 241 O CYS A 12 36.962 17.577 -0.510 1.00 0.00 O ATOM 242 CB CYS A 12 36.504 18.274 -3.312 1.00 0.00 C ATOM 243 SG CYS A 12 35.499 16.771 -3.091 1.00 0.00 S ATOM 0 H CYS A 12 38.078 16.122 -2.747 1.00 0.00 H new ATOM 0 HA CYS A 12 38.484 19.047 -2.994 1.00 0.00 H new ATOM 0 HB2 CYS A 12 35.958 19.126 -2.906 1.00 0.00 H new ATOM 0 HB3 CYS A 12 36.635 18.457 -4.378 1.00 0.00 H new ATOM 248 N PRO A 13 38.492 19.231 -0.525 1.00 0.00 N ATOM 249 CA PRO A 13 38.464 19.449 0.924 1.00 0.00 C ATOM 250 C PRO A 13 37.154 20.074 1.391 1.00 0.00 C ATOM 251 O PRO A 13 36.909 20.205 2.591 1.00 0.00 O ATOM 252 CB PRO A 13 39.630 20.412 1.161 1.00 0.00 C ATOM 253 CG PRO A 13 39.801 21.126 -0.135 1.00 0.00 C ATOM 254 CD PRO A 13 39.435 20.135 -1.205 1.00 0.00 C ATOM 0 HA PRO A 13 38.546 18.514 1.478 1.00 0.00 H new ATOM 0 HB2 PRO A 13 39.410 21.108 1.970 1.00 0.00 H new ATOM 0 HB3 PRO A 13 40.537 19.875 1.440 1.00 0.00 H new ATOM 0 HG2 PRO A 13 39.160 22.007 -0.183 1.00 0.00 H new ATOM 0 HG3 PRO A 13 40.827 21.472 -0.258 1.00 0.00 H new ATOM 0 HD2 PRO A 13 38.975 20.623 -2.064 1.00 0.00 H new ATOM 0 HD3 PRO A 13 40.310 19.600 -1.573 1.00 0.00 H new ATOM 262 N TYR A 14 36.314 20.459 0.436 1.00 0.00 N ATOM 263 CA TYR A 14 35.029 21.073 0.750 1.00 0.00 C ATOM 264 C TYR A 14 33.917 20.029 0.766 1.00 0.00 C ATOM 265 O TYR A 14 33.250 19.830 1.782 1.00 0.00 O ATOM 266 CB TYR A 14 34.702 22.168 -0.267 1.00 0.00 C ATOM 267 CG TYR A 14 35.068 23.558 0.202 1.00 0.00 C ATOM 268 CD1 TYR A 14 34.557 24.069 1.389 1.00 0.00 C ATOM 269 CD2 TYR A 14 35.923 24.361 -0.542 1.00 0.00 C ATOM 270 CE1 TYR A 14 34.887 25.339 1.821 1.00 0.00 C ATOM 271 CE2 TYR A 14 36.260 25.632 -0.117 1.00 0.00 C ATOM 272 CZ TYR A 14 35.740 26.116 1.065 1.00 0.00 C ATOM 273 OH TYR A 14 36.072 27.381 1.491 1.00 0.00 O ATOM 0 H TYR A 14 36.500 20.357 -0.562 1.00 0.00 H new ATOM 0 HA TYR A 14 35.099 21.518 1.743 1.00 0.00 H new ATOM 0 HB2 TYR A 14 35.229 21.957 -1.198 1.00 0.00 H new ATOM 0 HB3 TYR A 14 33.636 22.138 -0.491 1.00 0.00 H new ATOM 0 HD1 TYR A 14 33.890 23.463 1.984 1.00 0.00 H new ATOM 0 HD2 TYR A 14 36.331 23.986 -1.469 1.00 0.00 H new ATOM 0 HE1 TYR A 14 34.480 25.721 2.745 1.00 0.00 H new ATOM 0 HE2 TYR A 14 36.927 26.243 -0.707 1.00 0.00 H new ATOM 0 HH TYR A 14 36.682 27.794 0.845 1.00 0.00 H new ATOM 283 N CYS A 15 33.722 19.364 -0.368 1.00 0.00 N ATOM 284 CA CYS A 15 32.691 18.340 -0.487 1.00 0.00 C ATOM 285 C CYS A 15 32.836 17.292 0.613 1.00 0.00 C ATOM 286 O CYS A 15 31.874 16.609 0.965 1.00 0.00 O ATOM 287 CB CYS A 15 32.766 17.668 -1.859 1.00 0.00 C ATOM 288 SG CYS A 15 34.123 16.464 -2.025 1.00 0.00 S ATOM 0 H CYS A 15 34.265 19.516 -1.218 1.00 0.00 H new ATOM 0 HA CYS A 15 31.720 18.823 -0.379 1.00 0.00 H new ATOM 0 HB2 CYS A 15 31.820 17.163 -2.056 1.00 0.00 H new ATOM 0 HB3 CYS A 15 32.882 18.437 -2.622 1.00 0.00 H new ATOM 293 N LYS A 16 34.044 17.172 1.153 1.00 0.00 N ATOM 294 CA LYS A 16 34.316 16.210 2.214 1.00 0.00 C ATOM 295 C LYS A 16 33.262 16.298 3.312 1.00 0.00 C ATOM 296 O LYS A 16 32.925 15.297 3.944 1.00 0.00 O ATOM 297 CB LYS A 16 35.706 16.452 2.806 1.00 0.00 C ATOM 298 CG LYS A 16 35.956 15.698 4.100 1.00 0.00 C ATOM 299 CD LYS A 16 37.307 16.051 4.699 1.00 0.00 C ATOM 300 CE LYS A 16 37.222 16.216 6.209 1.00 0.00 C ATOM 301 NZ LYS A 16 38.568 16.215 6.844 1.00 0.00 N ATOM 0 H LYS A 16 34.851 17.730 0.873 1.00 0.00 H new ATOM 0 HA LYS A 16 34.281 15.210 1.781 1.00 0.00 H new ATOM 0 HB2 LYS A 16 36.459 16.160 2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 16 35.834 17.519 2.987 1.00 0.00 H new ATOM 0 HG2 LYS A 16 35.168 15.931 4.816 1.00 0.00 H new ATOM 0 HG3 LYS A 16 35.909 14.625 3.912 1.00 0.00 H new ATOM 0 HD2 LYS A 16 38.028 15.270 4.457 1.00 0.00 H new ATOM 0 HD3 LYS A 16 37.675 16.974 4.251 1.00 0.00 H new ATOM 0 HE2 LYS A 16 36.710 17.149 6.444 1.00 0.00 H new ATOM 0 HE3 LYS A 16 36.622 15.409 6.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 38.467 16.330 7.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 39.047 15.314 6.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 39.133 17.001 6.462 1.00 0.00 H new ATOM 315 N ARG A 17 32.744 17.502 3.534 1.00 0.00 N ATOM 316 CA ARG A 17 31.727 17.720 4.556 1.00 0.00 C ATOM 317 C ARG A 17 30.425 17.016 4.186 1.00 0.00 C ATOM 318 O ARG A 17 29.784 16.392 5.031 1.00 0.00 O ATOM 319 CB ARG A 17 31.475 19.218 4.743 1.00 0.00 C ATOM 320 CG ARG A 17 32.517 19.907 5.609 1.00 0.00 C ATOM 321 CD ARG A 17 32.228 21.393 5.751 1.00 0.00 C ATOM 322 NE ARG A 17 33.006 22.002 6.826 1.00 0.00 N ATOM 323 CZ ARG A 17 32.760 21.800 8.116 1.00 0.00 C ATOM 324 NH1 ARG A 17 31.763 21.009 8.488 1.00 0.00 N ATOM 325 NH2 ARG A 17 33.512 22.390 9.037 1.00 0.00 N ATOM 0 H ARG A 17 33.012 18.341 3.020 1.00 0.00 H new ATOM 0 HA ARG A 17 32.093 17.300 5.493 1.00 0.00 H new ATOM 0 HB2 ARG A 17 31.452 19.699 3.765 1.00 0.00 H new ATOM 0 HB3 ARG A 17 30.491 19.359 5.191 1.00 0.00 H new ATOM 0 HG2 ARG A 17 32.537 19.443 6.595 1.00 0.00 H new ATOM 0 HG3 ARG A 17 33.505 19.768 5.171 1.00 0.00 H new ATOM 0 HD2 ARG A 17 32.452 21.897 4.811 1.00 0.00 H new ATOM 0 HD3 ARG A 17 31.165 21.539 5.945 1.00 0.00 H new ATOM 0 HE ARG A 17 33.780 22.616 6.573 1.00 0.00 H new ATOM 0 HH11 ARG A 17 31.183 20.554 7.783 1.00 0.00 H new ATOM 0 HH12 ARG A 17 31.576 20.856 9.479 1.00 0.00 H new ATOM 0 HH21 ARG A 17 34.280 22.999 8.755 1.00 0.00 H new ATOM 0 HH22 ARG A 17 33.322 22.234 10.027 1.00 0.00 H new ATOM 339 N ALA A 18 30.040 17.123 2.919 1.00 0.00 N ATOM 340 CA ALA A 18 28.815 16.496 2.437 1.00 0.00 C ATOM 341 C ALA A 18 28.930 14.975 2.466 1.00 0.00 C ATOM 342 O ALA A 18 28.098 14.292 3.063 1.00 0.00 O ATOM 343 CB ALA A 18 28.494 16.977 1.030 1.00 0.00 C ATOM 0 H ALA A 18 30.558 17.638 2.207 1.00 0.00 H new ATOM 0 HA ALA A 18 28.001 16.786 3.102 1.00 0.00 H new ATOM 0 HB1 ALA A 18 27.577 16.501 0.683 1.00 0.00 H new ATOM 0 HB2 ALA A 18 28.361 18.059 1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 18 29.314 16.717 0.361 1.00 0.00 H new ATOM 349 N ARG A 19 29.964 14.452 1.816 1.00 0.00 N ATOM 350 CA ARG A 19 30.185 13.012 1.765 1.00 0.00 C ATOM 351 C ARG A 19 30.326 12.434 3.170 1.00 0.00 C ATOM 352 O ARG A 19 29.944 11.291 3.423 1.00 0.00 O ATOM 353 CB ARG A 19 31.437 12.695 0.944 1.00 0.00 C ATOM 354 CG ARG A 19 32.736 12.944 1.693 1.00 0.00 C ATOM 355 CD ARG A 19 33.218 11.690 2.405 1.00 0.00 C ATOM 356 NE ARG A 19 34.667 11.685 2.585 1.00 0.00 N ATOM 357 CZ ARG A 19 35.527 11.377 1.621 1.00 0.00 C ATOM 358 NH1 ARG A 19 35.085 11.050 0.414 1.00 0.00 N ATOM 359 NH2 ARG A 19 36.831 11.395 1.862 1.00 0.00 N ATOM 0 H ARG A 19 30.662 15.004 1.317 1.00 0.00 H new ATOM 0 HA ARG A 19 29.319 12.554 1.287 1.00 0.00 H new ATOM 0 HB2 ARG A 19 31.402 11.651 0.632 1.00 0.00 H new ATOM 0 HB3 ARG A 19 31.429 13.299 0.037 1.00 0.00 H new ATOM 0 HG2 ARG A 19 33.501 13.284 0.994 1.00 0.00 H new ATOM 0 HG3 ARG A 19 32.591 13.743 2.420 1.00 0.00 H new ATOM 0 HD2 ARG A 19 32.732 11.616 3.378 1.00 0.00 H new ATOM 0 HD3 ARG A 19 32.921 10.811 1.832 1.00 0.00 H new ATOM 0 HE ARG A 19 35.039 11.932 3.502 1.00 0.00 H new ATOM 0 HH11 ARG A 19 34.083 11.035 0.225 1.00 0.00 H new ATOM 0 HH12 ARG A 19 35.747 10.814 -0.325 1.00 0.00 H new ATOM 0 HH21 ARG A 19 37.175 11.646 2.789 1.00 0.00 H new ATOM 0 HH22 ARG A 19 37.490 11.158 1.120 1.00 0.00 H new ATOM 373 N ASP A 20 30.877 13.230 4.079 1.00 0.00 N ATOM 374 CA ASP A 20 31.068 12.798 5.459 1.00 0.00 C ATOM 375 C ASP A 20 29.732 12.698 6.187 1.00 0.00 C ATOM 376 O ASP A 20 29.478 11.735 6.913 1.00 0.00 O ATOM 377 CB ASP A 20 31.993 13.768 6.196 1.00 0.00 C ATOM 378 CG ASP A 20 32.001 13.535 7.694 1.00 0.00 C ATOM 379 OD1 ASP A 20 32.490 12.470 8.127 1.00 0.00 O ATOM 380 OD2 ASP A 20 31.520 14.418 8.434 1.00 0.00 O ATOM 0 H ASP A 20 31.199 14.178 3.886 1.00 0.00 H new ATOM 0 HA ASP A 20 31.528 11.810 5.444 1.00 0.00 H new ATOM 0 HB2 ASP A 20 33.007 13.663 5.810 1.00 0.00 H new ATOM 0 HB3 ASP A 20 31.678 14.791 5.992 1.00 0.00 H new ATOM 385 N LEU A 21 28.880 13.698 5.990 1.00 0.00 N ATOM 386 CA LEU A 21 27.568 13.723 6.628 1.00 0.00 C ATOM 387 C LEU A 21 26.719 12.541 6.174 1.00 0.00 C ATOM 388 O LEU A 21 26.141 11.826 6.995 1.00 0.00 O ATOM 389 CB LEU A 21 26.849 15.035 6.309 1.00 0.00 C ATOM 390 CG LEU A 21 25.426 15.170 6.853 1.00 0.00 C ATOM 391 CD1 LEU A 21 25.348 16.297 7.870 1.00 0.00 C ATOM 392 CD2 LEU A 21 24.441 15.405 5.717 1.00 0.00 C ATOM 0 H LEU A 21 29.074 14.502 5.394 1.00 0.00 H new ATOM 0 HA LEU A 21 27.714 13.649 7.706 1.00 0.00 H new ATOM 0 HB2 LEU A 21 27.446 15.858 6.701 1.00 0.00 H new ATOM 0 HB3 LEU A 21 26.815 15.154 5.226 1.00 0.00 H new ATOM 0 HG LEU A 21 25.159 14.239 7.352 1.00 0.00 H new ATOM 0 HD11 LEU A 21 24.328 16.378 8.246 1.00 0.00 H new ATOM 0 HD12 LEU A 21 26.024 16.087 8.698 1.00 0.00 H new ATOM 0 HD13 LEU A 21 25.635 17.235 7.396 1.00 0.00 H new ATOM 0 HD21 LEU A 21 23.434 15.499 6.122 1.00 0.00 H new ATOM 0 HD22 LEU A 21 24.706 16.321 5.189 1.00 0.00 H new ATOM 0 HD23 LEU A 21 24.477 14.564 5.025 1.00 0.00 H new ATOM 404 N LEU A 22 26.649 12.338 4.863 1.00 0.00 N ATOM 405 CA LEU A 22 25.871 11.240 4.299 1.00 0.00 C ATOM 406 C LEU A 22 26.425 9.893 4.752 1.00 0.00 C ATOM 407 O LEU A 22 25.705 9.077 5.327 1.00 0.00 O ATOM 408 CB LEU A 22 25.875 11.319 2.772 1.00 0.00 C ATOM 409 CG LEU A 22 25.599 12.697 2.170 1.00 0.00 C ATOM 410 CD1 LEU A 22 26.435 12.910 0.918 1.00 0.00 C ATOM 411 CD2 LEU A 22 24.118 12.856 1.858 1.00 0.00 C ATOM 0 H LEU A 22 27.121 12.919 4.171 1.00 0.00 H new ATOM 0 HA LEU A 22 24.846 11.330 4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 22 26.845 10.976 2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 22 25.129 10.622 2.390 1.00 0.00 H new ATOM 0 HG LEU A 22 25.879 13.454 2.902 1.00 0.00 H new ATOM 0 HD11 LEU A 22 26.225 13.896 0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 22 27.493 12.840 1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 22 26.187 12.146 0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 22 23.940 13.843 1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 22 23.812 12.091 1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 22 23.539 12.749 2.775 1.00 0.00 H new ATOM 423 N ASP A 23 27.707 9.668 4.489 1.00 0.00 N ATOM 424 CA ASP A 23 28.359 8.420 4.872 1.00 0.00 C ATOM 425 C ASP A 23 28.128 8.118 6.349 1.00 0.00 C ATOM 426 O ASP A 23 27.937 6.965 6.736 1.00 0.00 O ATOM 427 CB ASP A 23 29.859 8.493 4.582 1.00 0.00 C ATOM 428 CG ASP A 23 30.505 7.123 4.527 1.00 0.00 C ATOM 429 OD1 ASP A 23 30.171 6.346 3.608 1.00 0.00 O ATOM 430 OD2 ASP A 23 31.344 6.827 5.404 1.00 0.00 O ATOM 0 H ASP A 23 28.316 10.333 4.012 1.00 0.00 H new ATOM 0 HA ASP A 23 27.922 7.614 4.282 1.00 0.00 H new ATOM 0 HB2 ASP A 23 30.018 9.005 3.633 1.00 0.00 H new ATOM 0 HB3 ASP A 23 30.346 9.091 5.352 1.00 0.00 H new ATOM 435 N LYS A 24 28.148 9.162 7.171 1.00 0.00 N ATOM 436 CA LYS A 24 27.941 9.010 8.607 1.00 0.00 C ATOM 437 C LYS A 24 26.462 8.823 8.926 1.00 0.00 C ATOM 438 O LYS A 24 26.106 8.221 9.940 1.00 0.00 O ATOM 439 CB LYS A 24 28.485 10.230 9.353 1.00 0.00 C ATOM 440 CG LYS A 24 29.991 10.201 9.551 1.00 0.00 C ATOM 441 CD LYS A 24 30.407 10.992 10.780 1.00 0.00 C ATOM 442 CE LYS A 24 31.921 11.060 10.913 1.00 0.00 C ATOM 443 NZ LYS A 24 32.453 9.962 11.766 1.00 0.00 N ATOM 0 H LYS A 24 28.306 10.123 6.867 1.00 0.00 H new ATOM 0 HA LYS A 24 28.480 8.121 8.935 1.00 0.00 H new ATOM 0 HB2 LYS A 24 28.217 11.131 8.802 1.00 0.00 H new ATOM 0 HB3 LYS A 24 28.000 10.296 10.327 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.326 9.169 9.651 1.00 0.00 H new ATOM 0 HG3 LYS A 24 30.483 10.612 8.669 1.00 0.00 H new ATOM 0 HD2 LYS A 24 30.000 12.001 10.719 1.00 0.00 H new ATOM 0 HD3 LYS A 24 29.983 10.531 11.672 1.00 0.00 H new ATOM 0 HE2 LYS A 24 32.375 11.004 9.924 1.00 0.00 H new ATOM 0 HE3 LYS A 24 32.205 12.022 11.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 33.488 10.044 11.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 32.039 10.030 12.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 32.204 9.044 11.345 1.00 0.00 H new ATOM 457 N LYS A 25 25.603 9.341 8.055 1.00 0.00 N ATOM 458 CA LYS A 25 24.161 9.229 8.242 1.00 0.00 C ATOM 459 C LYS A 25 23.692 7.796 8.012 1.00 0.00 C ATOM 460 O LYS A 25 22.741 7.335 8.642 1.00 0.00 O ATOM 461 CB LYS A 25 23.427 10.176 7.290 1.00 0.00 C ATOM 462 CG LYS A 25 22.539 11.183 7.998 1.00 0.00 C ATOM 463 CD LYS A 25 23.259 12.503 8.220 1.00 0.00 C ATOM 464 CE LYS A 25 22.370 13.510 8.934 1.00 0.00 C ATOM 465 NZ LYS A 25 23.059 14.129 10.100 1.00 0.00 N ATOM 0 H LYS A 25 25.881 9.843 7.212 1.00 0.00 H new ATOM 0 HA LYS A 25 23.931 9.507 9.270 1.00 0.00 H new ATOM 0 HB2 LYS A 25 24.160 10.712 6.687 1.00 0.00 H new ATOM 0 HB3 LYS A 25 22.819 9.587 6.603 1.00 0.00 H new ATOM 0 HG2 LYS A 25 21.639 11.354 7.408 1.00 0.00 H new ATOM 0 HG3 LYS A 25 22.219 10.776 8.957 1.00 0.00 H new ATOM 0 HD2 LYS A 25 24.161 12.332 8.807 1.00 0.00 H new ATOM 0 HD3 LYS A 25 23.576 12.912 7.260 1.00 0.00 H new ATOM 0 HE2 LYS A 25 22.069 14.290 8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 25 21.459 13.015 9.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 22.420 14.809 10.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 23.324 13.388 10.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 23.915 14.623 9.776 1.00 0.00 H new ATOM 479 N GLY A 26 24.368 7.094 7.107 1.00 0.00 N ATOM 480 CA GLY A 26 24.007 5.720 6.812 1.00 0.00 C ATOM 481 C GLY A 26 23.303 5.580 5.477 1.00 0.00 C ATOM 482 O GLY A 26 22.413 4.744 5.321 1.00 0.00 O ATOM 0 H GLY A 26 25.159 7.453 6.573 1.00 0.00 H new ATOM 0 HA2 GLY A 26 24.906 5.103 6.812 1.00 0.00 H new ATOM 0 HA3 GLY A 26 23.360 5.340 7.602 1.00 0.00 H new ATOM 486 N VAL A 27 23.700 6.402 4.511 1.00 0.00 N ATOM 487 CA VAL A 27 23.101 6.366 3.182 1.00 0.00 C ATOM 488 C VAL A 27 24.148 6.068 2.115 1.00 0.00 C ATOM 489 O VAL A 27 25.345 6.031 2.397 1.00 0.00 O ATOM 490 CB VAL A 27 22.404 7.698 2.845 1.00 0.00 C ATOM 491 CG1 VAL A 27 21.007 7.737 3.444 1.00 0.00 C ATOM 492 CG2 VAL A 27 23.237 8.873 3.336 1.00 0.00 C ATOM 0 H VAL A 27 24.434 7.101 4.624 1.00 0.00 H new ATOM 0 HA VAL A 27 22.359 5.568 3.190 1.00 0.00 H new ATOM 0 HB VAL A 27 22.310 7.775 1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 27 20.531 8.685 3.195 1.00 0.00 H new ATOM 0 HG12 VAL A 27 20.415 6.916 3.039 1.00 0.00 H new ATOM 0 HG13 VAL A 27 21.073 7.637 4.527 1.00 0.00 H new ATOM 0 HG21 VAL A 27 22.730 9.806 3.090 1.00 0.00 H new ATOM 0 HG22 VAL A 27 23.364 8.803 4.416 1.00 0.00 H new ATOM 0 HG23 VAL A 27 24.214 8.853 2.854 1.00 0.00 H new ATOM 502 N LYS A 28 23.688 5.857 0.886 1.00 0.00 N ATOM 503 CA LYS A 28 24.584 5.563 -0.226 1.00 0.00 C ATOM 504 C LYS A 28 24.681 6.753 -1.175 1.00 0.00 C ATOM 505 O LYS A 28 23.695 7.143 -1.801 1.00 0.00 O ATOM 506 CB LYS A 28 24.096 4.328 -0.988 1.00 0.00 C ATOM 507 CG LYS A 28 24.711 3.029 -0.497 1.00 0.00 C ATOM 508 CD LYS A 28 26.035 2.743 -1.185 1.00 0.00 C ATOM 509 CE LYS A 28 26.957 1.921 -0.298 1.00 0.00 C ATOM 510 NZ LYS A 28 27.973 2.770 0.384 1.00 0.00 N ATOM 0 H LYS A 28 22.700 5.884 0.635 1.00 0.00 H new ATOM 0 HA LYS A 28 25.575 5.363 0.181 1.00 0.00 H new ATOM 0 HB2 LYS A 28 23.011 4.263 -0.901 1.00 0.00 H new ATOM 0 HB3 LYS A 28 24.324 4.451 -2.047 1.00 0.00 H new ATOM 0 HG2 LYS A 28 24.864 3.083 0.581 1.00 0.00 H new ATOM 0 HG3 LYS A 28 24.020 2.206 -0.680 1.00 0.00 H new ATOM 0 HD2 LYS A 28 25.854 2.209 -2.118 1.00 0.00 H new ATOM 0 HD3 LYS A 28 26.522 3.683 -1.446 1.00 0.00 H new ATOM 0 HE2 LYS A 28 26.365 1.392 0.449 1.00 0.00 H new ATOM 0 HE3 LYS A 28 27.461 1.165 -0.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 28.582 2.173 0.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 28.554 3.256 -0.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 27.493 3.476 0.979 1.00 0.00 H new ATOM 524 N TYR A 29 25.875 7.326 -1.278 1.00 0.00 N ATOM 525 CA TYR A 29 26.100 8.473 -2.150 1.00 0.00 C ATOM 526 C TYR A 29 26.967 8.086 -3.344 1.00 0.00 C ATOM 527 O TYR A 29 27.895 7.286 -3.221 1.00 0.00 O ATOM 528 CB TYR A 29 26.763 9.610 -1.371 1.00 0.00 C ATOM 529 CG TYR A 29 28.154 9.278 -0.880 1.00 0.00 C ATOM 530 CD1 TYR A 29 29.263 9.471 -1.695 1.00 0.00 C ATOM 531 CD2 TYR A 29 28.359 8.771 0.397 1.00 0.00 C ATOM 532 CE1 TYR A 29 30.536 9.168 -1.251 1.00 0.00 C ATOM 533 CE2 TYR A 29 29.629 8.467 0.849 1.00 0.00 C ATOM 534 CZ TYR A 29 30.714 8.667 0.021 1.00 0.00 C ATOM 535 OH TYR A 29 31.980 8.364 0.468 1.00 0.00 O ATOM 0 H TYR A 29 26.702 7.015 -0.768 1.00 0.00 H new ATOM 0 HA TYR A 29 25.133 8.812 -2.521 1.00 0.00 H new ATOM 0 HB2 TYR A 29 26.813 10.494 -2.007 1.00 0.00 H new ATOM 0 HB3 TYR A 29 26.137 9.867 -0.516 1.00 0.00 H new ATOM 0 HD1 TYR A 29 29.128 9.864 -2.692 1.00 0.00 H new ATOM 0 HD2 TYR A 29 27.512 8.612 1.047 1.00 0.00 H new ATOM 0 HE1 TYR A 29 31.387 9.323 -1.897 1.00 0.00 H new ATOM 0 HE2 TYR A 29 29.771 8.075 1.845 1.00 0.00 H new ATOM 0 HH TYR A 29 31.930 8.023 1.385 1.00 0.00 H new ATOM 545 N THR A 30 26.659 8.662 -4.502 1.00 0.00 N ATOM 546 CA THR A 30 27.408 8.379 -5.720 1.00 0.00 C ATOM 547 C THR A 30 28.393 9.500 -6.032 1.00 0.00 C ATOM 548 O THR A 30 27.993 10.634 -6.297 1.00 0.00 O ATOM 549 CB THR A 30 26.469 8.186 -6.925 1.00 0.00 C ATOM 550 OG1 THR A 30 25.611 7.061 -6.702 1.00 0.00 O ATOM 551 CG2 THR A 30 27.265 7.977 -8.204 1.00 0.00 C ATOM 0 H THR A 30 25.895 9.328 -4.622 1.00 0.00 H new ATOM 0 HA THR A 30 27.957 7.454 -5.546 1.00 0.00 H new ATOM 0 HB THR A 30 25.866 9.087 -7.035 1.00 0.00 H new ATOM 0 HG1 THR A 30 25.016 6.946 -7.472 1.00 0.00 H new ATOM 0 HG21 THR A 30 26.580 7.843 -9.041 1.00 0.00 H new ATOM 0 HG22 THR A 30 27.895 8.847 -8.387 1.00 0.00 H new ATOM 0 HG23 THR A 30 27.891 7.091 -8.102 1.00 0.00 H new ATOM 559 N ASP A 31 29.681 9.176 -6.001 1.00 0.00 N ATOM 560 CA ASP A 31 30.723 10.156 -6.283 1.00 0.00 C ATOM 561 C ASP A 31 30.962 10.278 -7.785 1.00 0.00 C ATOM 562 O ASP A 31 31.451 9.345 -8.423 1.00 0.00 O ATOM 563 CB ASP A 31 32.023 9.768 -5.577 1.00 0.00 C ATOM 564 CG ASP A 31 33.224 10.513 -6.124 1.00 0.00 C ATOM 565 OD1 ASP A 31 33.404 11.695 -5.763 1.00 0.00 O ATOM 566 OD2 ASP A 31 33.985 9.914 -6.912 1.00 0.00 O ATOM 0 H ASP A 31 30.028 8.242 -5.783 1.00 0.00 H new ATOM 0 HA ASP A 31 30.389 11.123 -5.907 1.00 0.00 H new ATOM 0 HB2 ASP A 31 31.928 9.971 -4.510 1.00 0.00 H new ATOM 0 HB3 ASP A 31 32.185 8.695 -5.684 1.00 0.00 H new ATOM 571 N ILE A 32 30.614 11.432 -8.343 1.00 0.00 N ATOM 572 CA ILE A 32 30.791 11.675 -9.769 1.00 0.00 C ATOM 573 C ILE A 32 32.071 12.460 -10.038 1.00 0.00 C ATOM 574 O ILE A 32 32.222 13.595 -9.584 1.00 0.00 O ATOM 575 CB ILE A 32 29.596 12.444 -10.362 1.00 0.00 C ATOM 576 CG1 ILE A 32 28.290 11.699 -10.076 1.00 0.00 C ATOM 577 CG2 ILE A 32 29.783 12.641 -11.859 1.00 0.00 C ATOM 578 CD1 ILE A 32 28.199 10.355 -10.762 1.00 0.00 C ATOM 0 H ILE A 32 30.208 12.214 -7.829 1.00 0.00 H new ATOM 0 HA ILE A 32 30.858 10.699 -10.249 1.00 0.00 H new ATOM 0 HB ILE A 32 29.544 13.425 -9.890 1.00 0.00 H new ATOM 0 HG12 ILE A 32 28.191 11.556 -9.000 1.00 0.00 H new ATOM 0 HG13 ILE A 32 27.451 12.318 -10.394 1.00 0.00 H new ATOM 0 HG21 ILE A 32 28.930 13.186 -12.264 1.00 0.00 H new ATOM 0 HG22 ILE A 32 30.696 13.209 -12.040 1.00 0.00 H new ATOM 0 HG23 ILE A 32 29.857 11.669 -12.347 1.00 0.00 H new ATOM 0 HD11 ILE A 32 27.248 9.884 -10.515 1.00 0.00 H new ATOM 0 HD12 ILE A 32 28.266 10.492 -11.841 1.00 0.00 H new ATOM 0 HD13 ILE A 32 29.017 9.719 -10.425 1.00 0.00 H new ATOM 590 N ASP A 33 32.987 11.850 -10.781 1.00 0.00 N ATOM 591 CA ASP A 33 34.253 12.493 -11.114 1.00 0.00 C ATOM 592 C ASP A 33 34.018 13.855 -11.759 1.00 0.00 C ATOM 593 O ASP A 33 33.074 14.033 -12.529 1.00 0.00 O ATOM 594 CB ASP A 33 35.070 11.604 -12.053 1.00 0.00 C ATOM 595 CG ASP A 33 35.914 10.592 -11.304 1.00 0.00 C ATOM 596 OD1 ASP A 33 36.787 11.014 -10.516 1.00 0.00 O ATOM 597 OD2 ASP A 33 35.701 9.378 -11.505 1.00 0.00 O ATOM 0 H ASP A 33 32.877 10.911 -11.164 1.00 0.00 H new ATOM 0 HA ASP A 33 34.811 12.641 -10.189 1.00 0.00 H new ATOM 0 HB2 ASP A 33 34.396 11.080 -12.730 1.00 0.00 H new ATOM 0 HB3 ASP A 33 35.718 12.229 -12.668 1.00 0.00 H new ATOM 602 N ALA A 34 34.882 14.813 -11.440 1.00 0.00 N ATOM 603 CA ALA A 34 34.768 16.159 -11.989 1.00 0.00 C ATOM 604 C ALA A 34 34.937 16.149 -13.504 1.00 0.00 C ATOM 605 O ALA A 34 34.594 17.117 -14.183 1.00 0.00 O ATOM 606 CB ALA A 34 35.796 17.079 -11.347 1.00 0.00 C ATOM 0 H ALA A 34 35.669 14.682 -10.804 1.00 0.00 H new ATOM 0 HA ALA A 34 33.770 16.534 -11.763 1.00 0.00 H new ATOM 0 HB1 ALA A 34 35.700 18.081 -11.766 1.00 0.00 H new ATOM 0 HB2 ALA A 34 35.627 17.118 -10.271 1.00 0.00 H new ATOM 0 HB3 ALA A 34 36.798 16.698 -11.544 1.00 0.00 H new ATOM 612 N SER A 35 35.468 15.049 -14.029 1.00 0.00 N ATOM 613 CA SER A 35 35.687 14.916 -15.465 1.00 0.00 C ATOM 614 C SER A 35 34.424 15.274 -16.242 1.00 0.00 C ATOM 615 O SER A 35 33.479 14.487 -16.312 1.00 0.00 O ATOM 616 CB SER A 35 36.122 13.489 -15.805 1.00 0.00 C ATOM 617 OG SER A 35 36.752 13.438 -17.073 1.00 0.00 O ATOM 0 H SER A 35 35.754 14.237 -13.482 1.00 0.00 H new ATOM 0 HA SER A 35 36.478 15.608 -15.753 1.00 0.00 H new ATOM 0 HB2 SER A 35 36.806 13.122 -15.040 1.00 0.00 H new ATOM 0 HB3 SER A 35 35.254 12.830 -15.800 1.00 0.00 H new ATOM 0 HG SER A 35 37.022 12.516 -17.267 1.00 0.00 H new ATOM 623 N THR A 36 34.414 16.468 -16.826 1.00 0.00 N ATOM 624 CA THR A 36 33.268 16.932 -17.597 1.00 0.00 C ATOM 625 C THR A 36 32.888 15.926 -18.677 1.00 0.00 C ATOM 626 O THR A 36 31.736 15.867 -19.106 1.00 0.00 O ATOM 627 CB THR A 36 33.550 18.295 -18.258 1.00 0.00 C ATOM 628 OG1 THR A 36 32.552 18.577 -19.245 1.00 0.00 O ATOM 629 CG2 THR A 36 34.928 18.308 -18.904 1.00 0.00 C ATOM 0 H THR A 36 35.187 17.131 -16.779 1.00 0.00 H new ATOM 0 HA THR A 36 32.439 17.040 -16.897 1.00 0.00 H new ATOM 0 HB THR A 36 33.521 19.062 -17.484 1.00 0.00 H new ATOM 0 HG1 THR A 36 32.738 19.446 -19.659 1.00 0.00 H new ATOM 0 HG21 THR A 36 35.105 19.280 -19.364 1.00 0.00 H new ATOM 0 HG22 THR A 36 35.688 18.122 -18.145 1.00 0.00 H new ATOM 0 HG23 THR A 36 34.980 17.531 -19.666 1.00 0.00 H new ATOM 637 N SER A 37 33.864 15.135 -19.113 1.00 0.00 N ATOM 638 CA SER A 37 33.632 14.133 -20.146 1.00 0.00 C ATOM 639 C SER A 37 32.406 13.286 -19.816 1.00 0.00 C ATOM 640 O SER A 37 31.698 12.823 -20.711 1.00 0.00 O ATOM 641 CB SER A 37 34.860 13.233 -20.298 1.00 0.00 C ATOM 642 OG SER A 37 34.905 12.646 -21.587 1.00 0.00 O ATOM 0 H SER A 37 34.823 15.169 -18.766 1.00 0.00 H new ATOM 0 HA SER A 37 33.451 14.653 -21.087 1.00 0.00 H new ATOM 0 HB2 SER A 37 35.765 13.816 -20.129 1.00 0.00 H new ATOM 0 HB3 SER A 37 34.838 12.451 -19.539 1.00 0.00 H new ATOM 0 HG SER A 37 35.699 12.077 -21.660 1.00 0.00 H new ATOM 648 N LEU A 38 32.162 13.089 -18.525 1.00 0.00 N ATOM 649 CA LEU A 38 31.021 12.298 -18.075 1.00 0.00 C ATOM 650 C LEU A 38 30.148 13.100 -17.115 1.00 0.00 C ATOM 651 O LEU A 38 28.924 12.968 -17.117 1.00 0.00 O ATOM 652 CB LEU A 38 31.501 11.015 -17.394 1.00 0.00 C ATOM 653 CG LEU A 38 31.692 9.803 -18.306 1.00 0.00 C ATOM 654 CD1 LEU A 38 30.352 9.316 -18.834 1.00 0.00 C ATOM 655 CD2 LEU A 38 32.629 10.142 -19.456 1.00 0.00 C ATOM 0 H LEU A 38 32.738 13.465 -17.772 1.00 0.00 H new ATOM 0 HA LEU A 38 30.424 12.037 -18.949 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.448 11.224 -16.897 1.00 0.00 H new ATOM 0 HB3 LEU A 38 30.785 10.750 -16.616 1.00 0.00 H new ATOM 0 HG LEU A 38 32.143 9.001 -17.722 1.00 0.00 H new ATOM 0 HD11 LEU A 38 30.508 8.453 -19.481 1.00 0.00 H new ATOM 0 HD12 LEU A 38 29.713 9.032 -17.998 1.00 0.00 H new ATOM 0 HD13 LEU A 38 29.873 10.114 -19.402 1.00 0.00 H new ATOM 0 HD21 LEU A 38 32.753 9.267 -20.094 1.00 0.00 H new ATOM 0 HD22 LEU A 38 32.207 10.960 -20.040 1.00 0.00 H new ATOM 0 HD23 LEU A 38 33.599 10.442 -19.059 1.00 0.00 H new ATOM 667 N ARG A 39 30.785 13.933 -16.299 1.00 0.00 N ATOM 668 CA ARG A 39 30.066 14.757 -15.335 1.00 0.00 C ATOM 669 C ARG A 39 29.086 15.690 -16.041 1.00 0.00 C ATOM 670 O ARG A 39 28.005 15.975 -15.525 1.00 0.00 O ATOM 671 CB ARG A 39 31.050 15.575 -14.497 1.00 0.00 C ATOM 672 CG ARG A 39 30.461 16.087 -13.192 1.00 0.00 C ATOM 673 CD ARG A 39 30.961 17.485 -12.866 1.00 0.00 C ATOM 674 NE ARG A 39 30.582 18.455 -13.891 1.00 0.00 N ATOM 675 CZ ARG A 39 31.196 19.620 -14.062 1.00 0.00 C ATOM 676 NH1 ARG A 39 32.212 19.960 -13.281 1.00 0.00 N ATOM 677 NH2 ARG A 39 30.793 20.449 -15.017 1.00 0.00 N ATOM 0 H ARG A 39 31.798 14.055 -16.286 1.00 0.00 H new ATOM 0 HA ARG A 39 29.502 14.095 -14.678 1.00 0.00 H new ATOM 0 HB2 ARG A 39 31.923 14.961 -14.275 1.00 0.00 H new ATOM 0 HB3 ARG A 39 31.398 16.423 -15.086 1.00 0.00 H new ATOM 0 HG2 ARG A 39 29.373 16.095 -13.261 1.00 0.00 H new ATOM 0 HG3 ARG A 39 30.724 15.407 -12.381 1.00 0.00 H new ATOM 0 HD2 ARG A 39 30.558 17.799 -11.903 1.00 0.00 H new ATOM 0 HD3 ARG A 39 32.046 17.468 -12.767 1.00 0.00 H new ATOM 0 HE ARG A 39 29.804 18.225 -14.509 1.00 0.00 H new ATOM 0 HH11 ARG A 39 32.525 19.326 -12.546 1.00 0.00 H new ATOM 0 HH12 ARG A 39 32.681 20.856 -13.415 1.00 0.00 H new ATOM 0 HH21 ARG A 39 30.012 20.191 -15.620 1.00 0.00 H new ATOM 0 HH22 ARG A 39 31.265 21.344 -15.148 1.00 0.00 H new ATOM 691 N GLN A 40 29.472 16.161 -17.222 1.00 0.00 N ATOM 692 CA GLN A 40 28.627 17.061 -17.998 1.00 0.00 C ATOM 693 C GLN A 40 27.355 16.356 -18.455 1.00 0.00 C ATOM 694 O GLN A 40 26.272 16.939 -18.441 1.00 0.00 O ATOM 695 CB GLN A 40 29.393 17.595 -19.210 1.00 0.00 C ATOM 696 CG GLN A 40 28.588 18.567 -20.058 1.00 0.00 C ATOM 697 CD GLN A 40 28.858 18.410 -21.541 1.00 0.00 C ATOM 698 OE1 GLN A 40 29.855 18.915 -22.059 1.00 0.00 O ATOM 699 NE2 GLN A 40 27.970 17.707 -22.233 1.00 0.00 N ATOM 0 H GLN A 40 30.364 15.935 -17.662 1.00 0.00 H new ATOM 0 HA GLN A 40 28.346 17.897 -17.358 1.00 0.00 H new ATOM 0 HB2 GLN A 40 30.301 18.091 -18.866 1.00 0.00 H new ATOM 0 HB3 GLN A 40 29.705 16.755 -19.831 1.00 0.00 H new ATOM 0 HG2 GLN A 40 27.525 18.415 -19.868 1.00 0.00 H new ATOM 0 HG3 GLN A 40 28.823 19.588 -19.756 1.00 0.00 H new ATOM 0 HE21 GLN A 40 27.158 17.306 -21.763 1.00 0.00 H new ATOM 0 HE22 GLN A 40 28.099 17.567 -23.235 1.00 0.00 H new ATOM 708 N GLU A 41 27.495 15.098 -18.861 1.00 0.00 N ATOM 709 CA GLU A 41 26.356 14.314 -19.324 1.00 0.00 C ATOM 710 C GLU A 41 25.438 13.949 -18.161 1.00 0.00 C ATOM 711 O GLU A 41 24.215 13.930 -18.304 1.00 0.00 O ATOM 712 CB GLU A 41 26.835 13.043 -20.028 1.00 0.00 C ATOM 713 CG GLU A 41 28.079 13.248 -20.875 1.00 0.00 C ATOM 714 CD GLU A 41 27.947 14.417 -21.832 1.00 0.00 C ATOM 715 OE1 GLU A 41 26.806 14.735 -22.227 1.00 0.00 O ATOM 716 OE2 GLU A 41 28.985 15.015 -22.184 1.00 0.00 O ATOM 0 H GLU A 41 28.385 14.600 -18.879 1.00 0.00 H new ATOM 0 HA GLU A 41 25.793 14.922 -20.032 1.00 0.00 H new ATOM 0 HB2 GLU A 41 27.038 12.278 -19.279 1.00 0.00 H new ATOM 0 HB3 GLU A 41 26.033 12.664 -20.661 1.00 0.00 H new ATOM 0 HG2 GLU A 41 28.936 13.413 -20.222 1.00 0.00 H new ATOM 0 HG3 GLU A 41 28.281 12.340 -21.443 1.00 0.00 H new ATOM 723 N MET A 42 26.036 13.659 -17.010 1.00 0.00 N ATOM 724 CA MET A 42 25.273 13.295 -15.822 1.00 0.00 C ATOM 725 C MET A 42 24.575 14.516 -15.230 1.00 0.00 C ATOM 726 O MET A 42 23.373 14.487 -14.963 1.00 0.00 O ATOM 727 CB MET A 42 26.190 12.660 -14.776 1.00 0.00 C ATOM 728 CG MET A 42 26.900 11.410 -15.269 1.00 0.00 C ATOM 729 SD MET A 42 26.081 9.892 -14.742 1.00 0.00 S ATOM 730 CE MET A 42 27.396 9.103 -13.815 1.00 0.00 C ATOM 0 H MET A 42 27.047 13.669 -16.875 1.00 0.00 H new ATOM 0 HA MET A 42 24.513 12.571 -16.116 1.00 0.00 H new ATOM 0 HB2 MET A 42 26.935 13.392 -14.465 1.00 0.00 H new ATOM 0 HB3 MET A 42 25.602 12.410 -13.893 1.00 0.00 H new ATOM 0 HG2 MET A 42 26.951 11.431 -16.358 1.00 0.00 H new ATOM 0 HG3 MET A 42 27.926 11.411 -14.902 1.00 0.00 H new ATOM 0 HE1 MET A 42 27.680 8.172 -14.306 1.00 0.00 H new ATOM 0 HE2 MET A 42 28.259 9.767 -13.770 1.00 0.00 H new ATOM 0 HE3 MET A 42 27.050 8.889 -12.804 1.00 0.00 H new ATOM 740 N VAL A 43 25.335 15.587 -15.027 1.00 0.00 N ATOM 741 CA VAL A 43 24.789 16.817 -14.467 1.00 0.00 C ATOM 742 C VAL A 43 23.694 17.389 -15.361 1.00 0.00 C ATOM 743 O VAL A 43 22.689 17.906 -14.874 1.00 0.00 O ATOM 744 CB VAL A 43 25.886 17.881 -14.273 1.00 0.00 C ATOM 745 CG1 VAL A 43 26.405 18.364 -15.618 1.00 0.00 C ATOM 746 CG2 VAL A 43 25.359 19.044 -13.446 1.00 0.00 C ATOM 0 H VAL A 43 26.331 15.628 -15.242 1.00 0.00 H new ATOM 0 HA VAL A 43 24.365 16.562 -13.496 1.00 0.00 H new ATOM 0 HB VAL A 43 26.717 17.428 -13.732 1.00 0.00 H new ATOM 0 HG11 VAL A 43 27.179 19.115 -15.461 1.00 0.00 H new ATOM 0 HG12 VAL A 43 26.823 17.522 -16.170 1.00 0.00 H new ATOM 0 HG13 VAL A 43 25.586 18.801 -16.188 1.00 0.00 H new ATOM 0 HG21 VAL A 43 26.147 19.786 -13.319 1.00 0.00 H new ATOM 0 HG22 VAL A 43 24.511 19.499 -13.957 1.00 0.00 H new ATOM 0 HG23 VAL A 43 25.041 18.681 -12.469 1.00 0.00 H new ATOM 756 N GLN A 44 23.897 17.292 -16.671 1.00 0.00 N ATOM 757 CA GLN A 44 22.926 17.801 -17.633 1.00 0.00 C ATOM 758 C GLN A 44 21.718 16.875 -17.729 1.00 0.00 C ATOM 759 O GLN A 44 20.592 17.327 -17.936 1.00 0.00 O ATOM 760 CB GLN A 44 23.575 17.956 -19.010 1.00 0.00 C ATOM 761 CG GLN A 44 23.720 16.645 -19.766 1.00 0.00 C ATOM 762 CD GLN A 44 24.335 16.828 -21.139 1.00 0.00 C ATOM 763 OE1 GLN A 44 25.379 17.465 -21.284 1.00 0.00 O ATOM 764 NE2 GLN A 44 23.691 16.267 -22.156 1.00 0.00 N ATOM 0 H GLN A 44 24.724 16.866 -17.090 1.00 0.00 H new ATOM 0 HA GLN A 44 22.586 18.777 -17.287 1.00 0.00 H new ATOM 0 HB2 GLN A 44 22.979 18.646 -19.607 1.00 0.00 H new ATOM 0 HB3 GLN A 44 24.560 18.407 -18.889 1.00 0.00 H new ATOM 0 HG2 GLN A 44 24.337 15.961 -19.184 1.00 0.00 H new ATOM 0 HG3 GLN A 44 22.740 16.180 -19.870 1.00 0.00 H new ATOM 0 HE21 GLN A 44 22.829 15.748 -21.990 1.00 0.00 H new ATOM 0 HE22 GLN A 44 24.059 16.355 -23.103 1.00 0.00 H new ATOM 773 N ARG A 45 21.960 15.577 -17.577 1.00 0.00 N ATOM 774 CA ARG A 45 20.892 14.587 -17.647 1.00 0.00 C ATOM 775 C ARG A 45 20.108 14.539 -16.339 1.00 0.00 C ATOM 776 O ARG A 45 18.997 14.012 -16.288 1.00 0.00 O ATOM 777 CB ARG A 45 21.468 13.205 -17.960 1.00 0.00 C ATOM 778 CG ARG A 45 20.436 12.090 -17.911 1.00 0.00 C ATOM 779 CD ARG A 45 20.882 10.882 -18.721 1.00 0.00 C ATOM 780 NE ARG A 45 21.950 10.141 -18.056 1.00 0.00 N ATOM 781 CZ ARG A 45 22.704 9.232 -18.664 1.00 0.00 C ATOM 782 NH1 ARG A 45 22.506 8.954 -19.946 1.00 0.00 N ATOM 783 NH2 ARG A 45 23.657 8.600 -17.992 1.00 0.00 N ATOM 0 H ARG A 45 22.886 15.186 -17.405 1.00 0.00 H new ATOM 0 HA ARG A 45 20.212 14.879 -18.447 1.00 0.00 H new ATOM 0 HB2 ARG A 45 21.922 13.226 -18.951 1.00 0.00 H new ATOM 0 HB3 ARG A 45 22.264 12.983 -17.250 1.00 0.00 H new ATOM 0 HG2 ARG A 45 20.268 11.793 -16.876 1.00 0.00 H new ATOM 0 HG3 ARG A 45 19.484 12.456 -18.296 1.00 0.00 H new ATOM 0 HD2 ARG A 45 20.031 10.222 -18.885 1.00 0.00 H new ATOM 0 HD3 ARG A 45 21.225 11.210 -19.702 1.00 0.00 H new ATOM 0 HE ARG A 45 22.127 10.332 -17.070 1.00 0.00 H new ATOM 0 HH11 ARG A 45 21.774 9.438 -20.466 1.00 0.00 H new ATOM 0 HH12 ARG A 45 23.086 8.256 -20.412 1.00 0.00 H new ATOM 0 HH21 ARG A 45 23.812 8.812 -17.006 1.00 0.00 H new ATOM 0 HH22 ARG A 45 24.235 7.902 -18.461 1.00 0.00 H new ATOM 797 N ALA A 46 20.695 15.092 -15.282 1.00 0.00 N ATOM 798 CA ALA A 46 20.052 15.113 -13.975 1.00 0.00 C ATOM 799 C ALA A 46 19.315 16.429 -13.747 1.00 0.00 C ATOM 800 O ALA A 46 18.209 16.447 -13.210 1.00 0.00 O ATOM 801 CB ALA A 46 21.080 14.885 -12.877 1.00 0.00 C ATOM 0 H ALA A 46 21.615 15.531 -15.306 1.00 0.00 H new ATOM 0 HA ALA A 46 19.320 14.306 -13.945 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.585 14.903 -11.906 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.559 13.917 -13.022 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.834 15.672 -12.915 1.00 0.00 H new ATOM 807 N ASN A 47 19.938 17.529 -14.158 1.00 0.00 N ATOM 808 CA ASN A 47 19.342 18.850 -13.996 1.00 0.00 C ATOM 809 C ASN A 47 18.598 19.270 -15.261 1.00 0.00 C ATOM 810 O ASN A 47 17.477 19.773 -15.197 1.00 0.00 O ATOM 811 CB ASN A 47 20.420 19.882 -13.660 1.00 0.00 C ATOM 812 CG ASN A 47 20.081 21.265 -14.182 1.00 0.00 C ATOM 813 OD1 ASN A 47 19.226 21.957 -13.629 1.00 0.00 O ATOM 814 ND2 ASN A 47 20.751 21.673 -15.253 1.00 0.00 N ATOM 0 H ASN A 47 20.855 17.532 -14.605 1.00 0.00 H new ATOM 0 HA ASN A 47 18.628 18.800 -13.174 1.00 0.00 H new ATOM 0 HB2 ASN A 47 20.551 19.927 -12.579 1.00 0.00 H new ATOM 0 HB3 ASN A 47 21.371 19.560 -14.083 1.00 0.00 H new ATOM 0 HD21 ASN A 47 20.566 22.594 -15.650 1.00 0.00 H new ATOM 0 HD22 ASN A 47 21.451 21.066 -15.679 1.00 0.00 H new ATOM 821 N GLY A 48 19.231 19.058 -16.411 1.00 0.00 N ATOM 822 CA GLY A 48 18.615 19.419 -17.674 1.00 0.00 C ATOM 823 C GLY A 48 19.594 20.067 -18.633 1.00 0.00 C ATOM 824 O GLY A 48 19.263 20.321 -19.791 1.00 0.00 O ATOM 0 H GLY A 48 20.159 18.643 -16.490 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.194 18.527 -18.137 1.00 0.00 H new ATOM 0 HA3 GLY A 48 17.787 20.103 -17.488 1.00 0.00 H new ATOM 828 N ARG A 49 20.802 20.337 -18.149 1.00 0.00 N ATOM 829 CA ARG A 49 21.831 20.963 -18.971 1.00 0.00 C ATOM 830 C ARG A 49 23.164 21.013 -18.228 1.00 0.00 C ATOM 831 O ARG A 49 23.201 20.995 -16.999 1.00 0.00 O ATOM 832 CB ARG A 49 21.405 22.376 -19.371 1.00 0.00 C ATOM 833 CG ARG A 49 21.266 23.327 -18.193 1.00 0.00 C ATOM 834 CD ARG A 49 21.082 24.764 -18.655 1.00 0.00 C ATOM 835 NE ARG A 49 20.951 25.688 -17.532 1.00 0.00 N ATOM 836 CZ ARG A 49 19.823 25.862 -16.852 1.00 0.00 C ATOM 837 NH1 ARG A 49 18.735 25.179 -17.180 1.00 0.00 N ATOM 838 NH2 ARG A 49 19.783 26.722 -15.842 1.00 0.00 N ATOM 0 H ARG A 49 21.092 20.132 -17.193 1.00 0.00 H new ATOM 0 HA ARG A 49 21.958 20.361 -19.871 1.00 0.00 H new ATOM 0 HB2 ARG A 49 22.135 22.782 -20.071 1.00 0.00 H new ATOM 0 HB3 ARG A 49 20.453 22.324 -19.899 1.00 0.00 H new ATOM 0 HG2 ARG A 49 20.414 23.028 -17.582 1.00 0.00 H new ATOM 0 HG3 ARG A 49 22.152 23.257 -17.561 1.00 0.00 H new ATOM 0 HD2 ARG A 49 21.933 25.059 -19.269 1.00 0.00 H new ATOM 0 HD3 ARG A 49 20.195 24.831 -19.285 1.00 0.00 H new ATOM 0 HE ARG A 49 21.770 26.229 -17.255 1.00 0.00 H new ATOM 0 HH11 ARG A 49 18.763 24.518 -17.956 1.00 0.00 H new ATOM 0 HH12 ARG A 49 17.870 25.315 -16.656 1.00 0.00 H new ATOM 0 HH21 ARG A 49 20.618 27.249 -15.588 1.00 0.00 H new ATOM 0 HH22 ARG A 49 18.917 26.856 -15.320 1.00 0.00 H new ATOM 852 N ASN A 50 24.255 21.074 -18.984 1.00 0.00 N ATOM 853 CA ASN A 50 25.589 21.126 -18.398 1.00 0.00 C ATOM 854 C ASN A 50 25.777 22.403 -17.585 1.00 0.00 C ATOM 855 O ASN A 50 25.183 23.438 -17.887 1.00 0.00 O ATOM 856 CB ASN A 50 26.654 21.044 -19.494 1.00 0.00 C ATOM 857 CG ASN A 50 26.615 22.238 -20.428 1.00 0.00 C ATOM 858 OD1 ASN A 50 25.794 22.298 -21.343 1.00 0.00 O ATOM 859 ND2 ASN A 50 27.506 23.196 -20.201 1.00 0.00 N ATOM 0 H ASN A 50 24.241 21.089 -20.004 1.00 0.00 H new ATOM 0 HA ASN A 50 25.698 20.272 -17.730 1.00 0.00 H new ATOM 0 HB2 ASN A 50 27.640 20.978 -19.034 1.00 0.00 H new ATOM 0 HB3 ASN A 50 26.509 20.130 -20.070 1.00 0.00 H new ATOM 0 HD21 ASN A 50 27.528 24.023 -20.797 1.00 0.00 H new ATOM 0 HD22 ASN A 50 28.168 23.104 -19.431 1.00 0.00 H new ATOM 866 N THR A 51 26.609 22.323 -16.551 1.00 0.00 N ATOM 867 CA THR A 51 26.876 23.471 -15.694 1.00 0.00 C ATOM 868 C THR A 51 27.956 23.151 -14.667 1.00 0.00 C ATOM 869 O THR A 51 28.507 22.050 -14.653 1.00 0.00 O ATOM 870 CB THR A 51 25.604 23.930 -14.958 1.00 0.00 C ATOM 871 OG1 THR A 51 24.562 22.963 -15.131 1.00 0.00 O ATOM 872 CG2 THR A 51 25.138 25.283 -15.476 1.00 0.00 C ATOM 0 H THR A 51 27.110 21.474 -16.287 1.00 0.00 H new ATOM 0 HA THR A 51 27.222 24.276 -16.343 1.00 0.00 H new ATOM 0 HB THR A 51 25.838 24.025 -13.898 1.00 0.00 H new ATOM 0 HG1 THR A 51 23.757 23.262 -14.659 1.00 0.00 H new ATOM 0 HG21 THR A 51 24.238 25.587 -14.941 1.00 0.00 H new ATOM 0 HG22 THR A 51 25.922 26.023 -15.317 1.00 0.00 H new ATOM 0 HG23 THR A 51 24.920 25.209 -16.541 1.00 0.00 H new ATOM 880 N PHE A 52 28.254 24.119 -13.807 1.00 0.00 N ATOM 881 CA PHE A 52 29.269 23.940 -12.775 1.00 0.00 C ATOM 882 C PHE A 52 28.903 22.786 -11.847 1.00 0.00 C ATOM 883 O PHE A 52 27.740 22.400 -11.723 1.00 0.00 O ATOM 884 CB PHE A 52 29.436 25.228 -11.966 1.00 0.00 C ATOM 885 CG PHE A 52 28.133 25.837 -11.532 1.00 0.00 C ATOM 886 CD1 PHE A 52 27.437 25.319 -10.453 1.00 0.00 C ATOM 887 CD2 PHE A 52 27.606 26.928 -12.204 1.00 0.00 C ATOM 888 CE1 PHE A 52 26.237 25.877 -10.052 1.00 0.00 C ATOM 889 CE2 PHE A 52 26.407 27.491 -11.808 1.00 0.00 C ATOM 890 CZ PHE A 52 25.723 26.965 -10.730 1.00 0.00 C ATOM 0 H PHE A 52 27.807 25.036 -13.804 1.00 0.00 H new ATOM 0 HA PHE A 52 30.213 23.703 -13.265 1.00 0.00 H new ATOM 0 HB2 PHE A 52 30.041 25.018 -11.084 1.00 0.00 H new ATOM 0 HB3 PHE A 52 29.986 25.955 -12.564 1.00 0.00 H new ATOM 0 HD1 PHE A 52 27.836 24.470 -9.918 1.00 0.00 H new ATOM 0 HD2 PHE A 52 28.138 27.343 -13.047 1.00 0.00 H new ATOM 0 HE1 PHE A 52 25.703 25.463 -9.210 1.00 0.00 H new ATOM 0 HE2 PHE A 52 26.006 28.341 -12.341 1.00 0.00 H new ATOM 0 HZ PHE A 52 24.787 27.404 -10.417 1.00 0.00 H new ATOM 900 N PRO A 53 29.918 22.221 -11.178 1.00 0.00 N ATOM 901 CA PRO A 53 29.729 21.103 -10.248 1.00 0.00 C ATOM 902 C PRO A 53 28.997 21.523 -8.978 1.00 0.00 C ATOM 903 O PRO A 53 28.990 22.699 -8.616 1.00 0.00 O ATOM 904 CB PRO A 53 31.160 20.667 -9.922 1.00 0.00 C ATOM 905 CG PRO A 53 31.988 21.885 -10.148 1.00 0.00 C ATOM 906 CD PRO A 53 31.330 22.630 -11.276 1.00 0.00 C ATOM 0 HA PRO A 53 29.116 20.312 -10.680 1.00 0.00 H new ATOM 0 HB2 PRO A 53 31.243 20.318 -8.893 1.00 0.00 H new ATOM 0 HB3 PRO A 53 31.480 19.846 -10.564 1.00 0.00 H new ATOM 0 HG2 PRO A 53 32.033 22.499 -9.248 1.00 0.00 H new ATOM 0 HG3 PRO A 53 33.014 21.618 -10.403 1.00 0.00 H new ATOM 0 HD2 PRO A 53 31.444 23.708 -11.166 1.00 0.00 H new ATOM 0 HD3 PRO A 53 31.760 22.361 -12.241 1.00 0.00 H new ATOM 914 N GLN A 54 28.383 20.554 -8.307 1.00 0.00 N ATOM 915 CA GLN A 54 27.648 20.824 -7.077 1.00 0.00 C ATOM 916 C GLN A 54 27.125 19.531 -6.460 1.00 0.00 C ATOM 917 O GLN A 54 27.357 18.442 -6.987 1.00 0.00 O ATOM 918 CB GLN A 54 26.484 21.778 -7.353 1.00 0.00 C ATOM 919 CG GLN A 54 25.499 21.253 -8.386 1.00 0.00 C ATOM 920 CD GLN A 54 24.408 20.399 -7.771 1.00 0.00 C ATOM 921 OE1 GLN A 54 23.677 20.847 -6.887 1.00 0.00 O ATOM 922 NE2 GLN A 54 24.293 19.161 -8.236 1.00 0.00 N ATOM 0 H GLN A 54 28.380 19.575 -8.594 1.00 0.00 H new ATOM 0 HA GLN A 54 28.333 21.292 -6.370 1.00 0.00 H new ATOM 0 HB2 GLN A 54 25.953 21.969 -6.421 1.00 0.00 H new ATOM 0 HB3 GLN A 54 26.881 22.734 -7.695 1.00 0.00 H new ATOM 0 HG2 GLN A 54 25.045 22.094 -8.910 1.00 0.00 H new ATOM 0 HG3 GLN A 54 26.037 20.667 -9.131 1.00 0.00 H new ATOM 0 HE21 GLN A 54 24.920 18.831 -8.969 1.00 0.00 H new ATOM 0 HE22 GLN A 54 23.577 18.539 -7.860 1.00 0.00 H new ATOM 931 N ILE A 55 26.421 19.658 -5.341 1.00 0.00 N ATOM 932 CA ILE A 55 25.865 18.500 -4.652 1.00 0.00 C ATOM 933 C ILE A 55 24.421 18.250 -5.073 1.00 0.00 C ATOM 934 O ILE A 55 23.530 19.047 -4.778 1.00 0.00 O ATOM 935 CB ILE A 55 25.920 18.674 -3.123 1.00 0.00 C ATOM 936 CG1 ILE A 55 27.366 18.865 -2.661 1.00 0.00 C ATOM 937 CG2 ILE A 55 25.291 17.474 -2.431 1.00 0.00 C ATOM 938 CD1 ILE A 55 27.834 20.302 -2.719 1.00 0.00 C ATOM 0 H ILE A 55 26.222 20.552 -4.892 1.00 0.00 H new ATOM 0 HA ILE A 55 26.476 17.643 -4.934 1.00 0.00 H new ATOM 0 HB ILE A 55 25.352 19.564 -2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 55 27.463 18.501 -1.638 1.00 0.00 H new ATOM 0 HG13 ILE A 55 28.021 18.253 -3.281 1.00 0.00 H new ATOM 0 HG21 ILE A 55 25.337 17.611 -1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 55 24.250 17.380 -2.741 1.00 0.00 H new ATOM 0 HG23 ILE A 55 25.834 16.570 -2.705 1.00 0.00 H new ATOM 0 HD11 ILE A 55 28.867 20.362 -2.377 1.00 0.00 H new ATOM 0 HD12 ILE A 55 27.769 20.665 -3.745 1.00 0.00 H new ATOM 0 HD13 ILE A 55 27.203 20.916 -2.077 1.00 0.00 H new ATOM 950 N PHE A 56 24.195 17.138 -5.764 1.00 0.00 N ATOM 951 CA PHE A 56 22.858 16.782 -6.225 1.00 0.00 C ATOM 952 C PHE A 56 22.177 15.835 -5.241 1.00 0.00 C ATOM 953 O PHE A 56 22.824 14.975 -4.642 1.00 0.00 O ATOM 954 CB PHE A 56 22.929 16.132 -7.608 1.00 0.00 C ATOM 955 CG PHE A 56 21.895 16.649 -8.567 1.00 0.00 C ATOM 956 CD1 PHE A 56 20.550 16.388 -8.364 1.00 0.00 C ATOM 957 CD2 PHE A 56 22.269 17.397 -9.672 1.00 0.00 C ATOM 958 CE1 PHE A 56 19.596 16.863 -9.244 1.00 0.00 C ATOM 959 CE2 PHE A 56 21.319 17.875 -10.556 1.00 0.00 C ATOM 960 CZ PHE A 56 19.981 17.606 -10.342 1.00 0.00 C ATOM 0 H PHE A 56 24.921 16.467 -6.017 1.00 0.00 H new ATOM 0 HA PHE A 56 22.268 17.696 -6.290 1.00 0.00 H new ATOM 0 HB2 PHE A 56 23.920 16.300 -8.029 1.00 0.00 H new ATOM 0 HB3 PHE A 56 22.807 15.054 -7.501 1.00 0.00 H new ATOM 0 HD1 PHE A 56 20.243 15.806 -7.508 1.00 0.00 H new ATOM 0 HD2 PHE A 56 23.314 17.609 -9.845 1.00 0.00 H new ATOM 0 HE1 PHE A 56 18.550 16.653 -9.073 1.00 0.00 H new ATOM 0 HE2 PHE A 56 21.623 18.458 -11.413 1.00 0.00 H new ATOM 0 HZ PHE A 56 19.238 17.976 -11.032 1.00 0.00 H new ATOM 970 N ILE A 57 20.869 16.002 -5.078 1.00 0.00 N ATOM 971 CA ILE A 57 20.100 15.163 -4.167 1.00 0.00 C ATOM 972 C ILE A 57 18.757 14.778 -4.776 1.00 0.00 C ATOM 973 O ILE A 57 17.937 15.639 -5.093 1.00 0.00 O ATOM 974 CB ILE A 57 19.857 15.870 -2.821 1.00 0.00 C ATOM 975 CG1 ILE A 57 19.138 17.202 -3.042 1.00 0.00 C ATOM 976 CG2 ILE A 57 21.174 16.087 -2.091 1.00 0.00 C ATOM 977 CD1 ILE A 57 17.691 17.188 -2.602 1.00 0.00 C ATOM 0 H ILE A 57 20.320 16.710 -5.565 1.00 0.00 H new ATOM 0 HA ILE A 57 20.689 14.262 -3.994 1.00 0.00 H new ATOM 0 HB ILE A 57 19.222 15.235 -2.203 1.00 0.00 H new ATOM 0 HG12 ILE A 57 19.667 17.985 -2.499 1.00 0.00 H new ATOM 0 HG13 ILE A 57 19.185 17.460 -4.100 1.00 0.00 H new ATOM 0 HG21 ILE A 57 20.985 16.588 -1.141 1.00 0.00 H new ATOM 0 HG22 ILE A 57 21.650 15.124 -1.905 1.00 0.00 H new ATOM 0 HG23 ILE A 57 21.832 16.705 -2.703 1.00 0.00 H new ATOM 0 HD11 ILE A 57 17.245 18.165 -2.788 1.00 0.00 H new ATOM 0 HD12 ILE A 57 17.148 16.428 -3.163 1.00 0.00 H new ATOM 0 HD13 ILE A 57 17.637 16.961 -1.537 1.00 0.00 H new ATOM 989 N GLY A 58 18.537 13.476 -4.936 1.00 0.00 N ATOM 990 CA GLY A 58 17.290 12.999 -5.506 1.00 0.00 C ATOM 991 C GLY A 58 16.954 13.679 -6.818 1.00 0.00 C ATOM 992 O GLY A 58 17.518 13.344 -7.860 1.00 0.00 O ATOM 0 H GLY A 58 19.200 12.744 -4.681 1.00 0.00 H new ATOM 0 HA2 GLY A 58 17.355 11.923 -5.665 1.00 0.00 H new ATOM 0 HA3 GLY A 58 16.481 13.168 -4.795 1.00 0.00 H new ATOM 996 N ASP A 59 16.033 14.635 -6.769 1.00 0.00 N ATOM 997 CA ASP A 59 15.623 15.363 -7.964 1.00 0.00 C ATOM 998 C ASP A 59 15.796 16.866 -7.771 1.00 0.00 C ATOM 999 O ASP A 59 14.949 17.657 -8.185 1.00 0.00 O ATOM 1000 CB ASP A 59 14.166 15.045 -8.306 1.00 0.00 C ATOM 1001 CG ASP A 59 13.811 13.596 -8.035 1.00 0.00 C ATOM 1002 OD1 ASP A 59 14.439 12.707 -8.647 1.00 0.00 O ATOM 1003 OD2 ASP A 59 12.904 13.351 -7.212 1.00 0.00 O ATOM 0 H ASP A 59 15.556 14.924 -5.915 1.00 0.00 H new ATOM 0 HA ASP A 59 16.260 15.045 -8.789 1.00 0.00 H new ATOM 0 HB2 ASP A 59 13.510 15.692 -7.724 1.00 0.00 H new ATOM 0 HB3 ASP A 59 13.985 15.270 -9.357 1.00 0.00 H new ATOM 1008 N TYR A 60 16.899 17.252 -7.139 1.00 0.00 N ATOM 1009 CA TYR A 60 17.182 18.660 -6.887 1.00 0.00 C ATOM 1010 C TYR A 60 18.683 18.899 -6.755 1.00 0.00 C ATOM 1011 O TYR A 60 19.421 18.036 -6.280 1.00 0.00 O ATOM 1012 CB TYR A 60 16.466 19.127 -5.618 1.00 0.00 C ATOM 1013 CG TYR A 60 16.948 20.468 -5.110 1.00 0.00 C ATOM 1014 CD1 TYR A 60 16.691 21.635 -5.819 1.00 0.00 C ATOM 1015 CD2 TYR A 60 17.658 20.567 -3.920 1.00 0.00 C ATOM 1016 CE1 TYR A 60 17.129 22.861 -5.359 1.00 0.00 C ATOM 1017 CE2 TYR A 60 18.099 21.790 -3.452 1.00 0.00 C ATOM 1018 CZ TYR A 60 17.833 22.934 -4.175 1.00 0.00 C ATOM 1019 OH TYR A 60 18.270 24.154 -3.713 1.00 0.00 O ATOM 0 H TYR A 60 17.611 16.610 -6.792 1.00 0.00 H new ATOM 0 HA TYR A 60 16.814 19.236 -7.736 1.00 0.00 H new ATOM 0 HB2 TYR A 60 15.396 19.186 -5.815 1.00 0.00 H new ATOM 0 HB3 TYR A 60 16.605 18.380 -4.836 1.00 0.00 H new ATOM 0 HD1 TYR A 60 16.139 21.582 -6.746 1.00 0.00 H new ATOM 0 HD2 TYR A 60 17.869 19.673 -3.351 1.00 0.00 H new ATOM 0 HE1 TYR A 60 16.921 23.758 -5.923 1.00 0.00 H new ATOM 0 HE2 TYR A 60 18.649 21.850 -2.525 1.00 0.00 H new ATOM 0 HH TYR A 60 18.748 24.031 -2.866 1.00 0.00 H new ATOM 1029 N HIS A 61 19.127 20.078 -7.180 1.00 0.00 N ATOM 1030 CA HIS A 61 20.540 20.433 -7.109 1.00 0.00 C ATOM 1031 C HIS A 61 20.793 21.433 -5.985 1.00 0.00 C ATOM 1032 O HIS A 61 20.372 22.588 -6.061 1.00 0.00 O ATOM 1033 CB HIS A 61 21.009 21.017 -8.442 1.00 0.00 C ATOM 1034 CG HIS A 61 20.100 22.077 -8.984 1.00 0.00 C ATOM 1035 ND1 HIS A 61 18.955 21.794 -9.698 1.00 0.00 N ATOM 1036 CD2 HIS A 61 20.173 23.427 -8.911 1.00 0.00 C ATOM 1037 CE1 HIS A 61 18.364 22.924 -10.042 1.00 0.00 C ATOM 1038 NE2 HIS A 61 19.082 23.930 -9.577 1.00 0.00 N ATOM 0 H HIS A 61 18.529 20.803 -7.577 1.00 0.00 H new ATOM 0 HA HIS A 61 21.107 19.526 -6.899 1.00 0.00 H new ATOM 0 HB2 HIS A 61 22.007 21.436 -8.315 1.00 0.00 H new ATOM 0 HB3 HIS A 61 21.092 20.212 -9.173 1.00 0.00 H new ATOM 0 HD2 HIS A 61 20.945 24.001 -8.421 1.00 0.00 H new ATOM 0 HE1 HIS A 61 17.448 23.011 -10.608 1.00 0.00 H new ATOM 0 HE2 HIS A 61 18.862 24.919 -9.693 1.00 0.00 H new ATOM 1046 N VAL A 62 21.483 20.983 -4.942 1.00 0.00 N ATOM 1047 CA VAL A 62 21.792 21.838 -3.802 1.00 0.00 C ATOM 1048 C VAL A 62 22.697 22.994 -4.212 1.00 0.00 C ATOM 1049 O VAL A 62 22.252 24.135 -4.323 1.00 0.00 O ATOM 1050 CB VAL A 62 22.473 21.043 -2.672 1.00 0.00 C ATOM 1051 CG1 VAL A 62 22.854 21.966 -1.525 1.00 0.00 C ATOM 1052 CG2 VAL A 62 21.565 19.923 -2.187 1.00 0.00 C ATOM 0 H VAL A 62 21.839 20.030 -4.863 1.00 0.00 H new ATOM 0 HA VAL A 62 20.844 22.234 -3.437 1.00 0.00 H new ATOM 0 HB VAL A 62 23.386 20.595 -3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 62 23.334 21.387 -0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 62 23.544 22.729 -1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 62 21.958 22.445 -1.130 1.00 0.00 H new ATOM 0 HG21 VAL A 62 22.062 19.372 -1.389 1.00 0.00 H new ATOM 0 HG22 VAL A 62 20.634 20.347 -1.810 1.00 0.00 H new ATOM 0 HG23 VAL A 62 21.348 19.247 -3.014 1.00 0.00 H new ATOM 1062 N GLY A 63 23.972 22.690 -4.437 1.00 0.00 N ATOM 1063 CA GLY A 63 24.920 23.714 -4.833 1.00 0.00 C ATOM 1064 C GLY A 63 26.265 23.553 -4.152 1.00 0.00 C ATOM 1065 O GLY A 63 27.204 23.013 -4.736 1.00 0.00 O ATOM 0 H GLY A 63 24.365 21.752 -4.352 1.00 0.00 H new ATOM 0 HA2 GLY A 63 25.057 23.680 -5.914 1.00 0.00 H new ATOM 0 HA3 GLY A 63 24.511 24.696 -4.595 1.00 0.00 H new ATOM 1069 N GLY A 64 26.360 24.025 -2.913 1.00 0.00 N ATOM 1070 CA GLY A 64 27.605 23.923 -2.173 1.00 0.00 C ATOM 1071 C GLY A 64 27.526 22.916 -1.043 1.00 0.00 C ATOM 1072 O GLY A 64 26.436 22.554 -0.599 1.00 0.00 O ATOM 0 H GLY A 64 25.597 24.476 -2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 64 28.407 23.638 -2.854 1.00 0.00 H new ATOM 0 HA3 GLY A 64 27.864 24.901 -1.767 1.00 0.00 H new ATOM 1076 N CYS A 65 28.684 22.460 -0.579 1.00 0.00 N ATOM 1077 CA CYS A 65 28.743 21.485 0.505 1.00 0.00 C ATOM 1078 C CYS A 65 28.135 22.055 1.782 1.00 0.00 C ATOM 1079 O CYS A 65 27.479 21.342 2.541 1.00 0.00 O ATOM 1080 CB CYS A 65 30.190 21.060 0.759 1.00 0.00 C ATOM 1081 SG CYS A 65 31.320 22.437 1.069 1.00 0.00 S ATOM 0 H CYS A 65 29.595 22.749 -0.936 1.00 0.00 H new ATOM 0 HA CYS A 65 28.163 20.611 0.207 1.00 0.00 H new ATOM 0 HB2 CYS A 65 30.214 20.385 1.614 1.00 0.00 H new ATOM 0 HB3 CYS A 65 30.549 20.497 -0.102 1.00 0.00 H new ATOM 0 HG CYS A 65 32.363 22.006 1.714 1.00 0.00 H new ATOM 1087 N ASP A 66 28.360 23.344 2.014 1.00 0.00 N ATOM 1088 CA ASP A 66 27.835 24.010 3.200 1.00 0.00 C ATOM 1089 C ASP A 66 26.336 24.258 3.066 1.00 0.00 C ATOM 1090 O ASP A 66 25.619 24.343 4.063 1.00 0.00 O ATOM 1091 CB ASP A 66 28.565 25.334 3.432 1.00 0.00 C ATOM 1092 CG ASP A 66 28.520 26.241 2.218 1.00 0.00 C ATOM 1093 OD1 ASP A 66 27.527 26.982 2.067 1.00 0.00 O ATOM 1094 OD2 ASP A 66 29.479 26.209 1.419 1.00 0.00 O ATOM 0 H ASP A 66 28.902 23.948 1.396 1.00 0.00 H new ATOM 0 HA ASP A 66 28.001 23.357 4.057 1.00 0.00 H new ATOM 0 HB2 ASP A 66 28.117 25.848 4.283 1.00 0.00 H new ATOM 0 HB3 ASP A 66 29.604 25.132 3.692 1.00 0.00 H new ATOM 1099 N ASP A 67 25.870 24.375 1.828 1.00 0.00 N ATOM 1100 CA ASP A 67 24.456 24.613 1.562 1.00 0.00 C ATOM 1101 C ASP A 67 23.591 23.546 2.226 1.00 0.00 C ATOM 1102 O ASP A 67 22.688 23.859 3.004 1.00 0.00 O ATOM 1103 CB ASP A 67 24.194 24.634 0.056 1.00 0.00 C ATOM 1104 CG ASP A 67 22.747 24.942 -0.276 1.00 0.00 C ATOM 1105 OD1 ASP A 67 21.988 25.298 0.650 1.00 0.00 O ATOM 1106 OD2 ASP A 67 22.374 24.828 -1.462 1.00 0.00 O ATOM 0 H ASP A 67 26.451 24.309 0.992 1.00 0.00 H new ATOM 0 HA ASP A 67 24.192 25.583 1.982 1.00 0.00 H new ATOM 0 HB2 ASP A 67 24.837 25.379 -0.411 1.00 0.00 H new ATOM 0 HB3 ASP A 67 24.464 23.668 -0.370 1.00 0.00 H new ATOM 1111 N LEU A 68 23.872 22.286 1.914 1.00 0.00 N ATOM 1112 CA LEU A 68 23.119 21.172 2.480 1.00 0.00 C ATOM 1113 C LEU A 68 23.182 21.190 4.004 1.00 0.00 C ATOM 1114 O LEU A 68 22.204 20.869 4.680 1.00 0.00 O ATOM 1115 CB LEU A 68 23.662 19.843 1.951 1.00 0.00 C ATOM 1116 CG LEU A 68 24.953 19.340 2.599 1.00 0.00 C ATOM 1117 CD1 LEU A 68 24.641 18.480 3.813 1.00 0.00 C ATOM 1118 CD2 LEU A 68 25.787 18.562 1.591 1.00 0.00 C ATOM 0 H LEU A 68 24.615 22.010 1.272 1.00 0.00 H new ATOM 0 HA LEU A 68 22.077 21.278 2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 68 22.893 19.082 2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 68 23.832 19.944 0.879 1.00 0.00 H new ATOM 0 HG LEU A 68 25.531 20.203 2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 68 25.572 18.131 4.261 1.00 0.00 H new ATOM 0 HD12 LEU A 68 24.085 19.069 4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 68 24.042 17.622 3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 68 26.702 18.212 2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 68 25.216 17.707 1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 68 26.041 19.210 0.752 1.00 0.00 H new ATOM 1130 N TYR A 69 24.338 21.569 4.538 1.00 0.00 N ATOM 1131 CA TYR A 69 24.529 21.629 5.982 1.00 0.00 C ATOM 1132 C TYR A 69 23.606 22.668 6.611 1.00 0.00 C ATOM 1133 O TYR A 69 22.887 22.378 7.567 1.00 0.00 O ATOM 1134 CB TYR A 69 25.986 21.959 6.312 1.00 0.00 C ATOM 1135 CG TYR A 69 26.701 20.858 7.062 1.00 0.00 C ATOM 1136 CD1 TYR A 69 27.117 19.703 6.410 1.00 0.00 C ATOM 1137 CD2 TYR A 69 26.960 20.971 8.422 1.00 0.00 C ATOM 1138 CE1 TYR A 69 27.771 18.694 7.090 1.00 0.00 C ATOM 1139 CE2 TYR A 69 27.615 19.968 9.110 1.00 0.00 C ATOM 1140 CZ TYR A 69 28.017 18.832 8.440 1.00 0.00 C ATOM 1141 OH TYR A 69 28.668 17.830 9.123 1.00 0.00 O ATOM 0 H TYR A 69 25.156 21.839 3.993 1.00 0.00 H new ATOM 0 HA TYR A 69 24.282 20.651 6.396 1.00 0.00 H new ATOM 0 HB2 TYR A 69 26.522 22.164 5.385 1.00 0.00 H new ATOM 0 HB3 TYR A 69 26.017 22.872 6.907 1.00 0.00 H new ATOM 0 HD1 TYR A 69 26.925 19.593 5.353 1.00 0.00 H new ATOM 0 HD2 TYR A 69 26.644 21.858 8.951 1.00 0.00 H new ATOM 0 HE1 TYR A 69 28.088 17.803 6.568 1.00 0.00 H new ATOM 0 HE2 TYR A 69 27.811 20.073 10.167 1.00 0.00 H new ATOM 0 HH TYR A 69 28.763 18.084 10.065 1.00 0.00 H new ATOM 1151 N ALA A 70 23.632 23.880 6.067 1.00 0.00 N ATOM 1152 CA ALA A 70 22.796 24.962 6.571 1.00 0.00 C ATOM 1153 C ALA A 70 21.319 24.589 6.511 1.00 0.00 C ATOM 1154 O ALA A 70 20.564 24.844 7.451 1.00 0.00 O ATOM 1155 CB ALA A 70 23.053 26.239 5.784 1.00 0.00 C ATOM 0 H ALA A 70 24.223 24.137 5.277 1.00 0.00 H new ATOM 0 HA ALA A 70 23.058 25.133 7.615 1.00 0.00 H new ATOM 0 HB1 ALA A 70 22.422 27.039 6.172 1.00 0.00 H new ATOM 0 HB2 ALA A 70 24.101 26.523 5.884 1.00 0.00 H new ATOM 0 HB3 ALA A 70 22.821 26.071 4.732 1.00 0.00 H new ATOM 1161 N LEU A 71 20.911 23.986 5.400 1.00 0.00 N ATOM 1162 CA LEU A 71 19.522 23.578 5.216 1.00 0.00 C ATOM 1163 C LEU A 71 19.113 22.550 6.266 1.00 0.00 C ATOM 1164 O LEU A 71 18.146 22.751 7.000 1.00 0.00 O ATOM 1165 CB LEU A 71 19.321 23.001 3.814 1.00 0.00 C ATOM 1166 CG LEU A 71 19.614 23.947 2.649 1.00 0.00 C ATOM 1167 CD1 LEU A 71 19.888 23.160 1.378 1.00 0.00 C ATOM 1168 CD2 LEU A 71 18.455 24.912 2.442 1.00 0.00 C ATOM 0 H LEU A 71 21.522 23.769 4.613 1.00 0.00 H new ATOM 0 HA LEU A 71 18.891 24.459 5.333 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.957 22.122 3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 71 18.289 22.660 3.728 1.00 0.00 H new ATOM 0 HG LEU A 71 20.505 24.526 2.892 1.00 0.00 H new ATOM 0 HD11 LEU A 71 20.094 23.850 0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 71 20.750 22.510 1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.016 22.554 1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 71 18.680 25.578 1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 71 17.548 24.349 2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 71 18.306 25.501 3.347 1.00 0.00 H new ATOM 1180 N GLU A 72 19.857 21.450 6.331 1.00 0.00 N ATOM 1181 CA GLU A 72 19.572 20.392 7.293 1.00 0.00 C ATOM 1182 C GLU A 72 19.589 20.934 8.719 1.00 0.00 C ATOM 1183 O GLU A 72 18.933 20.392 9.608 1.00 0.00 O ATOM 1184 CB GLU A 72 20.590 19.258 7.153 1.00 0.00 C ATOM 1185 CG GLU A 72 21.989 19.636 7.610 1.00 0.00 C ATOM 1186 CD GLU A 72 22.883 18.429 7.812 1.00 0.00 C ATOM 1187 OE1 GLU A 72 22.895 17.545 6.930 1.00 0.00 O ATOM 1188 OE2 GLU A 72 23.571 18.368 8.853 1.00 0.00 O ATOM 0 H GLU A 72 20.661 21.269 5.730 1.00 0.00 H new ATOM 0 HA GLU A 72 18.575 20.004 7.083 1.00 0.00 H new ATOM 0 HB2 GLU A 72 20.247 18.400 7.731 1.00 0.00 H new ATOM 0 HB3 GLU A 72 20.630 18.944 6.110 1.00 0.00 H new ATOM 0 HG2 GLU A 72 22.441 20.299 6.872 1.00 0.00 H new ATOM 0 HG3 GLU A 72 21.924 20.195 8.543 1.00 0.00 H new ATOM 1195 N ASN A 73 20.346 22.006 8.929 1.00 0.00 N ATOM 1196 CA ASN A 73 20.450 22.621 10.248 1.00 0.00 C ATOM 1197 C ASN A 73 19.322 23.624 10.471 1.00 0.00 C ATOM 1198 O ASN A 73 18.945 23.908 11.608 1.00 0.00 O ATOM 1199 CB ASN A 73 21.804 23.317 10.403 1.00 0.00 C ATOM 1200 CG ASN A 73 21.969 23.963 11.765 1.00 0.00 C ATOM 1201 OD1 ASN A 73 22.183 23.280 12.766 1.00 0.00 O ATOM 1202 ND2 ASN A 73 21.869 25.287 11.807 1.00 0.00 N ATOM 0 H ASN A 73 20.896 22.467 8.204 1.00 0.00 H new ATOM 0 HA ASN A 73 20.365 21.833 10.997 1.00 0.00 H new ATOM 0 HB2 ASN A 73 22.602 22.591 10.249 1.00 0.00 H new ATOM 0 HB3 ASN A 73 21.910 24.076 9.628 1.00 0.00 H new ATOM 0 HD21 ASN A 73 21.971 25.778 12.695 1.00 0.00 H new ATOM 0 HD22 ASN A 73 21.691 25.812 10.951 1.00 0.00 H new ATOM 1209 N LYS A 74 18.786 24.156 9.378 1.00 0.00 N ATOM 1210 CA LYS A 74 17.699 25.125 9.452 1.00 0.00 C ATOM 1211 C LYS A 74 16.360 24.426 9.663 1.00 0.00 C ATOM 1212 O LYS A 74 15.403 25.029 10.148 1.00 0.00 O ATOM 1213 CB LYS A 74 17.651 25.968 8.176 1.00 0.00 C ATOM 1214 CG LYS A 74 18.651 27.112 8.165 1.00 0.00 C ATOM 1215 CD LYS A 74 18.365 28.113 9.272 1.00 0.00 C ATOM 1216 CE LYS A 74 16.969 28.704 9.142 1.00 0.00 C ATOM 1217 NZ LYS A 74 15.983 27.991 10.001 1.00 0.00 N ATOM 0 H LYS A 74 19.087 23.932 8.429 1.00 0.00 H new ATOM 0 HA LYS A 74 17.886 25.778 10.304 1.00 0.00 H new ATOM 0 HB2 LYS A 74 17.839 25.323 7.317 1.00 0.00 H new ATOM 0 HB3 LYS A 74 16.646 26.373 8.056 1.00 0.00 H new ATOM 0 HG2 LYS A 74 19.660 26.716 8.283 1.00 0.00 H new ATOM 0 HG3 LYS A 74 18.618 27.617 7.199 1.00 0.00 H new ATOM 0 HD2 LYS A 74 18.466 27.624 10.241 1.00 0.00 H new ATOM 0 HD3 LYS A 74 19.104 28.913 9.240 1.00 0.00 H new ATOM 0 HE2 LYS A 74 16.994 29.759 9.416 1.00 0.00 H new ATOM 0 HE3 LYS A 74 16.648 28.653 8.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.350 27.421 9.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 16.487 27.368 10.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.423 28.685 10.536 1.00 0.00 H new ATOM 1231 N GLY A 75 16.299 23.149 9.296 1.00 0.00 N ATOM 1232 CA GLY A 75 15.073 22.389 9.454 1.00 0.00 C ATOM 1233 C GLY A 75 14.727 21.584 8.217 1.00 0.00 C ATOM 1234 O GLY A 75 13.721 20.875 8.190 1.00 0.00 O ATOM 0 H GLY A 75 17.077 22.628 8.892 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.173 21.716 10.305 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.253 23.071 9.681 1.00 0.00 H new ATOM 1238 N LYS A 76 15.561 21.694 7.189 1.00 0.00 N ATOM 1239 CA LYS A 76 15.339 20.971 5.942 1.00 0.00 C ATOM 1240 C LYS A 76 15.929 19.566 6.015 1.00 0.00 C ATOM 1241 O LYS A 76 15.989 18.855 5.011 1.00 0.00 O ATOM 1242 CB LYS A 76 15.957 21.735 4.769 1.00 0.00 C ATOM 1243 CG LYS A 76 15.686 23.229 4.805 1.00 0.00 C ATOM 1244 CD LYS A 76 14.206 23.532 4.637 1.00 0.00 C ATOM 1245 CE LYS A 76 13.756 23.325 3.199 1.00 0.00 C ATOM 1246 NZ LYS A 76 12.301 23.597 3.029 1.00 0.00 N ATOM 0 H LYS A 76 16.398 22.277 7.195 1.00 0.00 H new ATOM 0 HA LYS A 76 14.263 20.887 5.786 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.034 21.570 4.766 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.569 21.326 3.836 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.037 23.641 5.751 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.251 23.721 4.014 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.624 22.889 5.298 1.00 0.00 H new ATOM 0 HD3 LYS A 76 14.007 24.561 4.937 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.327 23.980 2.542 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.972 22.301 2.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.033 23.445 2.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.754 22.955 3.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.098 24.582 3.295 1.00 0.00 H new ATOM 1260 N LEU A 77 16.362 19.173 7.207 1.00 0.00 N ATOM 1261 CA LEU A 77 16.946 17.852 7.411 1.00 0.00 C ATOM 1262 C LEU A 77 15.971 16.755 6.996 1.00 0.00 C ATOM 1263 O LEU A 77 16.371 15.737 6.430 1.00 0.00 O ATOM 1264 CB LEU A 77 17.342 17.669 8.877 1.00 0.00 C ATOM 1265 CG LEU A 77 17.667 16.239 9.312 1.00 0.00 C ATOM 1266 CD1 LEU A 77 18.897 16.218 10.206 1.00 0.00 C ATOM 1267 CD2 LEU A 77 16.476 15.615 10.025 1.00 0.00 C ATOM 0 H LEU A 77 16.320 19.750 8.047 1.00 0.00 H new ATOM 0 HA LEU A 77 17.837 17.776 6.787 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.211 18.295 9.078 1.00 0.00 H new ATOM 0 HB3 LEU A 77 16.530 18.041 9.501 1.00 0.00 H new ATOM 0 HG LEU A 77 17.882 15.649 8.421 1.00 0.00 H new ATOM 0 HD11 LEU A 77 19.112 15.192 10.505 1.00 0.00 H new ATOM 0 HD12 LEU A 77 19.750 16.624 9.661 1.00 0.00 H new ATOM 0 HD13 LEU A 77 18.712 16.823 11.093 1.00 0.00 H new ATOM 0 HD21 LEU A 77 16.725 14.598 10.327 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.230 16.206 10.907 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.619 15.594 9.352 1.00 0.00 H new ATOM 1279 N ASP A 78 14.691 16.971 7.277 1.00 0.00 N ATOM 1280 CA ASP A 78 13.658 16.002 6.930 1.00 0.00 C ATOM 1281 C ASP A 78 13.724 15.645 5.448 1.00 0.00 C ATOM 1282 O ASP A 78 13.641 14.475 5.077 1.00 0.00 O ATOM 1283 CB ASP A 78 12.274 16.556 7.272 1.00 0.00 C ATOM 1284 CG ASP A 78 12.140 18.028 6.937 1.00 0.00 C ATOM 1285 OD1 ASP A 78 12.039 18.356 5.736 1.00 0.00 O ATOM 1286 OD2 ASP A 78 12.134 18.852 7.875 1.00 0.00 O ATOM 0 H ASP A 78 14.344 17.809 7.744 1.00 0.00 H new ATOM 0 HA ASP A 78 13.833 15.097 7.512 1.00 0.00 H new ATOM 0 HB2 ASP A 78 11.516 15.992 6.728 1.00 0.00 H new ATOM 0 HB3 ASP A 78 12.080 16.409 8.334 1.00 0.00 H new ATOM 1291 N SER A 79 13.872 16.663 4.606 1.00 0.00 N ATOM 1292 CA SER A 79 13.944 16.457 3.164 1.00 0.00 C ATOM 1293 C SER A 79 15.284 15.842 2.769 1.00 0.00 C ATOM 1294 O SER A 79 15.335 14.855 2.034 1.00 0.00 O ATOM 1295 CB SER A 79 13.742 17.783 2.427 1.00 0.00 C ATOM 1296 OG SER A 79 13.924 17.623 1.031 1.00 0.00 O ATOM 0 H SER A 79 13.944 17.638 4.897 1.00 0.00 H new ATOM 0 HA SER A 79 13.149 15.767 2.881 1.00 0.00 H new ATOM 0 HB2 SER A 79 12.740 18.164 2.625 1.00 0.00 H new ATOM 0 HB3 SER A 79 14.445 18.524 2.806 1.00 0.00 H new ATOM 0 HG SER A 79 13.788 18.484 0.583 1.00 0.00 H new ATOM 1302 N LEU A 80 16.367 16.433 3.262 1.00 0.00 N ATOM 1303 CA LEU A 80 17.708 15.945 2.962 1.00 0.00 C ATOM 1304 C LEU A 80 17.842 14.467 3.318 1.00 0.00 C ATOM 1305 O LEU A 80 18.456 13.693 2.582 1.00 0.00 O ATOM 1306 CB LEU A 80 18.752 16.761 3.725 1.00 0.00 C ATOM 1307 CG LEU A 80 19.401 17.911 2.953 1.00 0.00 C ATOM 1308 CD1 LEU A 80 20.344 17.373 1.889 1.00 0.00 C ATOM 1309 CD2 LEU A 80 18.337 18.799 2.326 1.00 0.00 C ATOM 0 H LEU A 80 16.342 17.251 3.871 1.00 0.00 H new ATOM 0 HA LEU A 80 17.878 16.059 1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.282 17.170 4.619 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.539 16.085 4.060 1.00 0.00 H new ATOM 0 HG LEU A 80 19.981 18.512 3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.797 18.205 1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.126 16.779 2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.787 16.749 1.191 1.00 0.00 H new ATOM 0 HD21 LEU A 80 18.817 19.612 1.781 1.00 0.00 H new ATOM 0 HD22 LEU A 80 17.730 18.210 1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 80 17.701 19.213 3.109 1.00 0.00 H new ATOM 1321 N LEU A 81 17.263 14.082 4.450 1.00 0.00 N ATOM 1322 CA LEU A 81 17.316 12.696 4.903 1.00 0.00 C ATOM 1323 C LEU A 81 16.383 11.817 4.076 1.00 0.00 C ATOM 1324 O LEU A 81 16.760 10.726 3.650 1.00 0.00 O ATOM 1325 CB LEU A 81 16.939 12.608 6.383 1.00 0.00 C ATOM 1326 CG LEU A 81 18.104 12.593 7.373 1.00 0.00 C ATOM 1327 CD1 LEU A 81 18.846 11.267 7.303 1.00 0.00 C ATOM 1328 CD2 LEU A 81 19.052 13.752 7.098 1.00 0.00 C ATOM 0 H LEU A 81 16.752 14.709 5.071 1.00 0.00 H new ATOM 0 HA LEU A 81 18.336 12.335 4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.295 13.453 6.624 1.00 0.00 H new ATOM 0 HB3 LEU A 81 16.349 11.704 6.534 1.00 0.00 H new ATOM 0 HG LEU A 81 17.703 12.709 8.380 1.00 0.00 H new ATOM 0 HD11 LEU A 81 19.672 11.274 8.014 1.00 0.00 H new ATOM 0 HD12 LEU A 81 18.163 10.454 7.549 1.00 0.00 H new ATOM 0 HD13 LEU A 81 19.236 11.121 6.296 1.00 0.00 H new ATOM 0 HD21 LEU A 81 19.875 13.726 7.812 1.00 0.00 H new ATOM 0 HD22 LEU A 81 19.447 13.667 6.086 1.00 0.00 H new ATOM 0 HD23 LEU A 81 18.514 14.694 7.199 1.00 0.00 H new ATOM 1340 N GLN A 82 15.166 12.302 3.850 1.00 0.00 N ATOM 1341 CA GLN A 82 14.181 11.561 3.072 1.00 0.00 C ATOM 1342 C GLN A 82 14.677 11.322 1.650 1.00 0.00 C ATOM 1343 O GLN A 82 14.253 10.378 0.984 1.00 0.00 O ATOM 1344 CB GLN A 82 12.851 12.316 3.041 1.00 0.00 C ATOM 1345 CG GLN A 82 11.975 12.057 4.256 1.00 0.00 C ATOM 1346 CD GLN A 82 11.353 10.675 4.243 1.00 0.00 C ATOM 1347 OE1 GLN A 82 10.270 10.474 3.693 1.00 0.00 O ATOM 1348 NE2 GLN A 82 12.037 9.712 4.850 1.00 0.00 N ATOM 0 H GLN A 82 14.839 13.205 4.195 1.00 0.00 H new ATOM 0 HA GLN A 82 14.030 10.594 3.552 1.00 0.00 H new ATOM 0 HB2 GLN A 82 13.051 13.385 2.969 1.00 0.00 H new ATOM 0 HB3 GLN A 82 12.303 12.033 2.142 1.00 0.00 H new ATOM 0 HG2 GLN A 82 12.571 12.174 5.161 1.00 0.00 H new ATOM 0 HG3 GLN A 82 11.185 12.807 4.296 1.00 0.00 H new ATOM 0 HE21 GLN A 82 12.931 9.923 5.293 1.00 0.00 H new ATOM 0 HE22 GLN A 82 11.668 8.761 4.873 1.00 0.00 H new ATOM 1357 N ASP A 83 15.577 12.185 1.191 1.00 0.00 N ATOM 1358 CA ASP A 83 16.133 12.068 -0.152 1.00 0.00 C ATOM 1359 C ASP A 83 17.337 11.132 -0.163 1.00 0.00 C ATOM 1360 O ASP A 83 17.342 10.117 -0.859 1.00 0.00 O ATOM 1361 CB ASP A 83 16.536 13.444 -0.682 1.00 0.00 C ATOM 1362 CG ASP A 83 15.393 14.153 -1.382 1.00 0.00 C ATOM 1363 OD1 ASP A 83 14.798 13.555 -2.303 1.00 0.00 O ATOM 1364 OD2 ASP A 83 15.093 15.306 -1.008 1.00 0.00 O ATOM 0 H ASP A 83 15.937 12.973 1.729 1.00 0.00 H new ATOM 0 HA ASP A 83 15.364 11.648 -0.801 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.889 14.060 0.145 1.00 0.00 H new ATOM 0 HB3 ASP A 83 17.370 13.333 -1.375 1.00 0.00 H new ATOM 1369 N VAL A 84 18.359 11.481 0.613 1.00 0.00 N ATOM 1370 CA VAL A 84 19.569 10.673 0.693 1.00 0.00 C ATOM 1371 C VAL A 84 19.248 9.242 1.110 1.00 0.00 C ATOM 1372 O VAL A 84 19.989 8.311 0.794 1.00 0.00 O ATOM 1373 CB VAL A 84 20.579 11.272 1.691 1.00 0.00 C ATOM 1374 CG1 VAL A 84 20.994 12.669 1.256 1.00 0.00 C ATOM 1375 CG2 VAL A 84 19.992 11.294 3.094 1.00 0.00 C ATOM 0 H VAL A 84 18.372 12.318 1.195 1.00 0.00 H new ATOM 0 HA VAL A 84 20.012 10.668 -0.303 1.00 0.00 H new ATOM 0 HB VAL A 84 21.468 10.642 1.704 1.00 0.00 H new ATOM 0 HG11 VAL A 84 21.707 13.076 1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 84 21.457 12.621 0.270 1.00 0.00 H new ATOM 0 HG13 VAL A 84 20.115 13.313 1.213 1.00 0.00 H new ATOM 0 HG21 VAL A 84 20.719 11.720 3.786 1.00 0.00 H new ATOM 0 HG22 VAL A 84 19.086 11.901 3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 84 19.750 10.277 3.403 1.00 0.00 H new ATOM 1385 N HIS A 85 18.138 9.074 1.821 1.00 0.00 N ATOM 1386 CA HIS A 85 17.717 7.755 2.281 1.00 0.00 C ATOM 1387 C HIS A 85 17.660 6.767 1.119 1.00 0.00 C ATOM 1388 O HIS A 85 16.718 6.782 0.325 1.00 0.00 O ATOM 1389 CB HIS A 85 16.350 7.840 2.960 1.00 0.00 C ATOM 1390 CG HIS A 85 15.771 6.505 3.311 1.00 0.00 C ATOM 1391 ND1 HIS A 85 16.499 5.506 3.922 1.00 0.00 N ATOM 1392 CD2 HIS A 85 14.525 6.006 3.136 1.00 0.00 C ATOM 1393 CE1 HIS A 85 15.727 4.450 4.105 1.00 0.00 C ATOM 1394 NE2 HIS A 85 14.523 4.728 3.637 1.00 0.00 N ATOM 0 H HIS A 85 17.514 9.834 2.091 1.00 0.00 H new ATOM 0 HA HIS A 85 18.451 7.398 3.003 1.00 0.00 H new ATOM 0 HB2 HIS A 85 16.441 8.437 3.867 1.00 0.00 H new ATOM 0 HB3 HIS A 85 15.658 8.365 2.301 1.00 0.00 H new ATOM 0 HD2 HIS A 85 13.688 6.518 2.686 1.00 0.00 H new ATOM 0 HE1 HIS A 85 16.029 3.518 4.560 1.00 0.00 H new ATOM 0 HE2 HIS A 85 13.722 4.096 3.646 1.00 0.00 H new