USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 563 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 51 SER OG : rot -160:sc= 0.107 USER MOD Set 1.2: A 52 THR OG1 : rot 180:sc= 0.0756 USER MOD Set 1.3: A 53 ASN : amide:sc= 1.64 K(o=1.8,f=-3.3!) USER MOD Set 2.1: A 5 LYS NZ :NH3+ -155:sc= 1.87 (180deg=0.932) USER MOD Set 2.2: A 58 GLN : amide:sc= 0.86 K(o=2.7,f=-3.8) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 83:sc= 0.3 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -175:sc= -0.37 (180deg=-0.402) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 150:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -129:sc= 0 (180deg=-0.0586) USER MOD Single : A 36 CYS SG : rot 21:sc= -0.442 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 45 TYR OH : rot -153:sc= 0.0577 USER MOD Single : A 48 MET CE :methyl -129:sc= 0 (180deg=-0.0334) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 74:sc= 0.521 USER MOD Single : A 60 ASN : amide:sc= 0.0524 K(o=0.052,f=-0.71) USER MOD Single : A 67 ASN : amide:sc= 0.807 K(o=0.81,f=-6.7!) USER MOD Single : A 68 TYR OH : rot 130:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.14 K(o=-0.14,f=-0.65) USER MOD Single : A 76 LYS NZ :NH3+ 151:sc= 0.852 (180deg=0.346) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 68 N ILE A 4 7.250 -2.092 -3.315 1.00 0.00 N ATOM 69 CA ILE A 4 6.100 -1.241 -3.694 1.00 0.00 C ATOM 70 C ILE A 4 6.018 0.054 -2.870 1.00 0.00 C ATOM 71 O ILE A 4 5.701 1.114 -3.408 1.00 0.00 O ATOM 72 CB ILE A 4 4.790 -2.062 -3.680 1.00 0.00 C ATOM 73 CG1 ILE A 4 3.592 -1.302 -4.290 1.00 0.00 C ATOM 74 CG2 ILE A 4 4.414 -2.532 -2.263 1.00 0.00 C ATOM 75 CD1 ILE A 4 3.762 -0.906 -5.762 1.00 0.00 C ATOM 0 HA ILE A 4 6.258 -0.904 -4.718 1.00 0.00 H new ATOM 0 HB ILE A 4 4.999 -2.930 -4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 4 2.701 -1.922 -4.196 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.416 -0.400 -3.704 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.487 -3.104 -2.303 1.00 0.00 H new ATOM 0 HG22 ILE A 4 5.211 -3.160 -1.864 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.277 -1.665 -1.617 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.871 -0.378 -6.102 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.631 -0.256 -5.866 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.905 -1.802 -6.366 1.00 0.00 H new ATOM 87 N LYS A 5 6.404 -0.003 -1.592 1.00 0.00 N ATOM 88 CA LYS A 5 6.546 1.164 -0.710 1.00 0.00 C ATOM 89 C LYS A 5 7.635 2.106 -1.255 1.00 0.00 C ATOM 90 O LYS A 5 7.415 3.307 -1.415 1.00 0.00 O ATOM 91 CB LYS A 5 6.852 0.626 0.705 1.00 0.00 C ATOM 92 CG LYS A 5 6.546 1.561 1.890 1.00 0.00 C ATOM 93 CD LYS A 5 7.326 2.885 1.873 1.00 0.00 C ATOM 94 CE LYS A 5 7.446 3.538 3.260 1.00 0.00 C ATOM 95 NZ LYS A 5 6.136 3.848 3.890 1.00 0.00 N ATOM 0 H LYS A 5 6.632 -0.883 -1.129 1.00 0.00 H new ATOM 0 HA LYS A 5 5.635 1.761 -0.667 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.288 -0.296 0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.909 0.362 0.746 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.479 1.782 1.896 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.768 1.035 2.819 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.325 2.705 1.476 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.833 3.580 1.193 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.007 2.874 3.917 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.023 4.459 3.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.253 4.626 4.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.456 4.130 3.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.781 3.005 4.386 1.00 0.00 H new ATOM 109 N ASN A 6 8.787 1.539 -1.626 1.00 0.00 N ATOM 110 CA ASN A 6 9.885 2.252 -2.275 1.00 0.00 C ATOM 111 C ASN A 6 9.504 2.776 -3.672 1.00 0.00 C ATOM 112 O ASN A 6 9.940 3.864 -4.040 1.00 0.00 O ATOM 113 CB ASN A 6 11.101 1.317 -2.353 1.00 0.00 C ATOM 114 CG ASN A 6 12.332 2.021 -2.914 1.00 0.00 C ATOM 115 OD1 ASN A 6 12.639 1.928 -4.096 1.00 0.00 O ATOM 116 ND2 ASN A 6 13.065 2.750 -2.089 1.00 0.00 N ATOM 0 H ASN A 6 8.984 0.549 -1.479 1.00 0.00 H new ATOM 0 HA ASN A 6 10.126 3.131 -1.678 1.00 0.00 H new ATOM 0 HB2 ASN A 6 11.326 0.932 -1.358 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.858 0.459 -2.979 1.00 0.00 H new ATOM 0 HD21 ASN A 6 13.891 3.238 -2.436 1.00 0.00 H new ATOM 0 HD22 ASN A 6 12.805 2.824 -1.106 1.00 0.00 H new ATOM 123 N PHE A 7 8.657 2.060 -4.426 1.00 0.00 N ATOM 124 CA PHE A 7 8.237 2.475 -5.767 1.00 0.00 C ATOM 125 C PHE A 7 7.352 3.725 -5.717 1.00 0.00 C ATOM 126 O PHE A 7 7.601 4.666 -6.469 1.00 0.00 O ATOM 127 CB PHE A 7 7.535 1.317 -6.489 1.00 0.00 C ATOM 128 CG PHE A 7 7.098 1.659 -7.899 1.00 0.00 C ATOM 129 CD1 PHE A 7 7.984 1.473 -8.976 1.00 0.00 C ATOM 130 CD2 PHE A 7 5.819 2.199 -8.133 1.00 0.00 C ATOM 131 CE1 PHE A 7 7.592 1.823 -10.281 1.00 0.00 C ATOM 132 CE2 PHE A 7 5.432 2.558 -9.436 1.00 0.00 C ATOM 133 CZ PHE A 7 6.315 2.363 -10.513 1.00 0.00 C ATOM 0 H PHE A 7 8.246 1.178 -4.121 1.00 0.00 H new ATOM 0 HA PHE A 7 9.128 2.740 -6.336 1.00 0.00 H new ATOM 0 HB2 PHE A 7 8.208 0.460 -6.524 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.662 1.014 -5.910 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.967 1.061 -8.801 1.00 0.00 H new ATOM 0 HD2 PHE A 7 5.134 2.338 -7.310 1.00 0.00 H new ATOM 0 HE1 PHE A 7 8.273 1.677 -11.106 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.455 2.984 -9.610 1.00 0.00 H new ATOM 0 HZ PHE A 7 6.013 2.627 -11.516 1.00 0.00 H new ATOM 143 N LEU A 8 6.370 3.775 -4.806 1.00 0.00 N ATOM 144 CA LEU A 8 5.550 4.974 -4.602 1.00 0.00 C ATOM 145 C LEU A 8 6.401 6.152 -4.107 1.00 0.00 C ATOM 146 O LEU A 8 6.273 7.263 -4.618 1.00 0.00 O ATOM 147 CB LEU A 8 4.398 4.646 -3.632 1.00 0.00 C ATOM 148 CG LEU A 8 3.419 5.815 -3.376 1.00 0.00 C ATOM 149 CD1 LEU A 8 2.840 6.423 -4.664 1.00 0.00 C ATOM 150 CD2 LEU A 8 2.264 5.329 -2.488 1.00 0.00 C ATOM 0 H LEU A 8 6.125 2.994 -4.197 1.00 0.00 H new ATOM 0 HA LEU A 8 5.121 5.282 -5.555 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.837 3.800 -4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.822 4.329 -2.679 1.00 0.00 H new ATOM 0 HG LEU A 8 3.993 6.600 -2.883 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.162 7.237 -4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.652 6.807 -5.282 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.295 5.656 -5.215 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.573 6.152 -2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.737 4.517 -2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.661 4.973 -1.537 1.00 0.00 H new ATOM 162 N TYR A 9 7.311 5.906 -3.161 1.00 0.00 N ATOM 163 CA TYR A 9 8.203 6.938 -2.626 1.00 0.00 C ATOM 164 C TYR A 9 9.157 7.512 -3.693 1.00 0.00 C ATOM 165 O TYR A 9 9.320 8.730 -3.787 1.00 0.00 O ATOM 166 CB TYR A 9 8.970 6.361 -1.429 1.00 0.00 C ATOM 167 CG TYR A 9 9.744 7.400 -0.643 1.00 0.00 C ATOM 168 CD1 TYR A 9 11.077 7.704 -0.984 1.00 0.00 C ATOM 169 CD2 TYR A 9 9.124 8.077 0.425 1.00 0.00 C ATOM 170 CE1 TYR A 9 11.786 8.687 -0.268 1.00 0.00 C ATOM 171 CE2 TYR A 9 9.827 9.060 1.147 1.00 0.00 C ATOM 172 CZ TYR A 9 11.161 9.371 0.801 1.00 0.00 C ATOM 173 OH TYR A 9 11.839 10.324 1.501 1.00 0.00 O ATOM 0 H TYR A 9 7.450 4.985 -2.744 1.00 0.00 H new ATOM 0 HA TYR A 9 7.596 7.781 -2.296 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.265 5.865 -0.762 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.662 5.598 -1.786 1.00 0.00 H new ATOM 0 HD1 TYR A 9 11.557 7.181 -1.798 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.104 7.841 0.691 1.00 0.00 H new ATOM 0 HE1 TYR A 9 12.807 8.919 -0.535 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.347 9.576 1.965 1.00 0.00 H new ATOM 0 HH TYR A 9 11.258 10.692 2.199 1.00 0.00 H new ATOM 183 N ALA A 10 9.741 6.654 -4.537 1.00 0.00 N ATOM 184 CA ALA A 10 10.607 7.049 -5.650 1.00 0.00 C ATOM 185 C ALA A 10 9.836 7.776 -6.764 1.00 0.00 C ATOM 186 O ALA A 10 10.325 8.773 -7.292 1.00 0.00 O ATOM 187 CB ALA A 10 11.316 5.800 -6.187 1.00 0.00 C ATOM 0 H ALA A 10 9.621 5.644 -4.462 1.00 0.00 H new ATOM 0 HA ALA A 10 11.344 7.763 -5.282 1.00 0.00 H new ATOM 0 HB1 ALA A 10 11.965 6.079 -7.017 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.914 5.352 -5.394 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.574 5.081 -6.533 1.00 0.00 H new ATOM 193 N TRP A 11 8.613 7.337 -7.082 1.00 0.00 N ATOM 194 CA TRP A 11 7.731 8.015 -8.036 1.00 0.00 C ATOM 195 C TRP A 11 7.396 9.440 -7.576 1.00 0.00 C ATOM 196 O TRP A 11 7.523 10.391 -8.348 1.00 0.00 O ATOM 197 CB TRP A 11 6.456 7.186 -8.224 1.00 0.00 C ATOM 198 CG TRP A 11 5.461 7.811 -9.150 1.00 0.00 C ATOM 199 CD1 TRP A 11 5.406 7.633 -10.489 1.00 0.00 C ATOM 200 CD2 TRP A 11 4.375 8.732 -8.826 1.00 0.00 C ATOM 201 NE1 TRP A 11 4.397 8.414 -11.018 1.00 0.00 N ATOM 202 CE2 TRP A 11 3.720 9.104 -10.037 1.00 0.00 C ATOM 203 CE3 TRP A 11 3.867 9.279 -7.628 1.00 0.00 C ATOM 204 CZ2 TRP A 11 2.625 9.979 -10.056 1.00 0.00 C ATOM 205 CZ3 TRP A 11 2.763 10.152 -7.635 1.00 0.00 C ATOM 206 CH2 TRP A 11 2.145 10.507 -8.846 1.00 0.00 C ATOM 0 H TRP A 11 8.205 6.493 -6.680 1.00 0.00 H new ATOM 0 HA TRP A 11 8.248 8.101 -8.991 1.00 0.00 H new ATOM 0 HB2 TRP A 11 6.727 6.202 -8.607 1.00 0.00 H new ATOM 0 HB3 TRP A 11 5.987 7.032 -7.252 1.00 0.00 H new ATOM 0 HD1 TRP A 11 6.052 6.980 -11.058 1.00 0.00 H new ATOM 0 HE1 TRP A 11 4.180 8.473 -12.013 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.334 9.023 -6.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 2.155 10.245 -10.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.389 10.551 -6.704 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.303 11.184 -8.846 1.00 0.00 H new ATOM 217 N CYS A 12 7.043 9.598 -6.296 1.00 0.00 N ATOM 218 CA CYS A 12 6.843 10.908 -5.667 1.00 0.00 C ATOM 219 C CYS A 12 8.116 11.774 -5.737 1.00 0.00 C ATOM 220 O CYS A 12 8.049 12.933 -6.151 1.00 0.00 O ATOM 221 CB CYS A 12 6.396 10.700 -4.213 1.00 0.00 C ATOM 222 SG CYS A 12 4.728 9.994 -4.114 1.00 0.00 S ATOM 0 H CYS A 12 6.887 8.814 -5.662 1.00 0.00 H new ATOM 0 HA CYS A 12 6.068 11.447 -6.213 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.101 10.040 -3.707 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.419 11.654 -3.686 1.00 0.00 H new ATOM 0 HG CYS A 12 4.794 8.704 -4.259 1.00 0.00 H new ATOM 228 N GLY A 13 9.281 11.204 -5.410 1.00 0.00 N ATOM 229 CA GLY A 13 10.571 11.909 -5.379 1.00 0.00 C ATOM 230 C GLY A 13 11.067 12.366 -6.755 1.00 0.00 C ATOM 231 O GLY A 13 11.736 13.394 -6.850 1.00 0.00 O ATOM 0 H GLY A 13 9.357 10.220 -5.154 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.482 12.780 -4.729 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.320 11.254 -4.934 1.00 0.00 H new ATOM 235 N LYS A 14 10.678 11.676 -7.833 1.00 0.00 N ATOM 236 CA LYS A 14 10.960 12.074 -9.225 1.00 0.00 C ATOM 237 C LYS A 14 10.039 13.211 -9.718 1.00 0.00 C ATOM 238 O LYS A 14 10.265 13.776 -10.792 1.00 0.00 O ATOM 239 CB LYS A 14 10.862 10.827 -10.125 1.00 0.00 C ATOM 240 CG LYS A 14 12.061 9.881 -9.929 1.00 0.00 C ATOM 241 CD LYS A 14 11.880 8.529 -10.635 1.00 0.00 C ATOM 242 CE LYS A 14 11.784 8.681 -12.161 1.00 0.00 C ATOM 243 NZ LYS A 14 11.693 7.362 -12.842 1.00 0.00 N ATOM 0 H LYS A 14 10.148 10.807 -7.765 1.00 0.00 H new ATOM 0 HA LYS A 14 11.970 12.481 -9.273 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.938 10.292 -9.905 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.810 11.136 -11.169 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.963 10.364 -10.306 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.212 9.711 -8.863 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.718 7.877 -10.388 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.978 8.044 -10.262 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.909 9.281 -12.412 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.657 9.220 -12.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 11.630 7.506 -13.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.539 6.799 -12.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.846 6.858 -12.510 1.00 0.00 H new ATOM 257 N ARG A 15 9.021 13.556 -8.919 1.00 0.00 N ATOM 258 CA ARG A 15 7.999 14.582 -9.170 1.00 0.00 C ATOM 259 C ARG A 15 8.005 15.697 -8.100 1.00 0.00 C ATOM 260 O ARG A 15 7.084 16.514 -8.061 1.00 0.00 O ATOM 261 CB ARG A 15 6.628 13.887 -9.254 1.00 0.00 C ATOM 262 CG ARG A 15 6.538 12.851 -10.390 1.00 0.00 C ATOM 263 CD ARG A 15 5.177 12.150 -10.445 1.00 0.00 C ATOM 264 NE ARG A 15 4.079 13.071 -10.810 1.00 0.00 N ATOM 265 CZ ARG A 15 3.215 12.930 -11.811 1.00 0.00 C ATOM 266 NH1 ARG A 15 3.294 11.982 -12.717 1.00 0.00 N ATOM 267 NH2 ARG A 15 2.202 13.752 -11.942 1.00 0.00 N ATOM 0 H ARG A 15 8.880 13.095 -8.020 1.00 0.00 H new ATOM 0 HA ARG A 15 8.222 15.081 -10.113 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.420 13.394 -8.305 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.854 14.641 -9.398 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.726 13.346 -11.343 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.321 12.105 -10.258 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.220 11.336 -11.169 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.963 11.702 -9.475 1.00 0.00 H new ATOM 0 HE ARG A 15 3.973 13.904 -10.231 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.051 11.300 -12.676 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.598 11.928 -13.461 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.070 14.510 -11.272 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.546 13.634 -12.714 1.00 0.00 H new ATOM 281 N LYS A 16 9.015 15.726 -7.216 1.00 0.00 N ATOM 282 CA LYS A 16 9.197 16.699 -6.116 1.00 0.00 C ATOM 283 C LYS A 16 8.097 16.616 -5.024 1.00 0.00 C ATOM 284 O LYS A 16 7.745 17.618 -4.395 1.00 0.00 O ATOM 285 CB LYS A 16 9.419 18.127 -6.670 1.00 0.00 C ATOM 286 CG LYS A 16 10.610 18.217 -7.640 1.00 0.00 C ATOM 287 CD LYS A 16 10.844 19.666 -8.088 1.00 0.00 C ATOM 288 CE LYS A 16 12.035 19.732 -9.054 1.00 0.00 C ATOM 289 NZ LYS A 16 12.298 21.122 -9.509 1.00 0.00 N ATOM 0 H LYS A 16 9.768 15.038 -7.247 1.00 0.00 H new ATOM 0 HA LYS A 16 10.109 16.419 -5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.515 18.457 -7.182 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.582 18.812 -5.838 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.508 17.832 -7.156 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.423 17.589 -8.511 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.949 20.054 -8.574 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.034 20.297 -7.220 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.924 19.336 -8.563 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.838 19.097 -9.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.109 21.127 -10.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.459 21.491 -9.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.511 21.722 -8.687 1.00 0.00 H new ATOM 303 N MET A 17 7.549 15.416 -4.800 1.00 0.00 N ATOM 304 CA MET A 17 6.503 15.094 -3.813 1.00 0.00 C ATOM 305 C MET A 17 6.997 14.063 -2.780 1.00 0.00 C ATOM 306 O MET A 17 8.061 13.459 -2.949 1.00 0.00 O ATOM 307 CB MET A 17 5.265 14.543 -4.549 1.00 0.00 C ATOM 308 CG MET A 17 4.664 15.544 -5.541 1.00 0.00 C ATOM 309 SD MET A 17 3.072 15.054 -6.256 1.00 0.00 S ATOM 310 CE MET A 17 3.512 13.467 -7.011 1.00 0.00 C ATOM 0 H MET A 17 7.838 14.594 -5.331 1.00 0.00 H new ATOM 0 HA MET A 17 6.246 16.006 -3.275 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.541 13.633 -5.082 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.507 14.266 -3.816 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.539 16.502 -5.036 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.376 15.701 -6.351 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.659 13.080 -7.568 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.354 13.607 -7.688 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.788 12.757 -6.231 1.00 0.00 H new ATOM 320 N THR A 18 6.169 13.806 -1.757 1.00 0.00 N ATOM 321 CA THR A 18 6.372 12.792 -0.703 1.00 0.00 C ATOM 322 C THR A 18 5.015 12.155 -0.363 1.00 0.00 C ATOM 323 O THR A 18 4.059 12.912 -0.168 1.00 0.00 O ATOM 324 CB THR A 18 6.984 13.438 0.553 1.00 0.00 C ATOM 325 OG1 THR A 18 8.151 14.152 0.203 1.00 0.00 O ATOM 326 CG2 THR A 18 7.388 12.396 1.600 1.00 0.00 C ATOM 0 H THR A 18 5.298 14.322 -1.633 1.00 0.00 H new ATOM 0 HA THR A 18 7.061 12.027 -1.061 1.00 0.00 H new ATOM 0 HB THR A 18 6.220 14.093 0.972 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.536 14.563 1.005 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.815 12.899 2.468 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.510 11.828 1.905 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.128 11.719 1.173 1.00 0.00 H new ATOM 334 N PRO A 19 4.892 10.812 -0.288 1.00 0.00 N ATOM 335 CA PRO A 19 3.644 10.148 0.076 1.00 0.00 C ATOM 336 C PRO A 19 3.402 10.227 1.589 1.00 0.00 C ATOM 337 O PRO A 19 4.344 10.217 2.384 1.00 0.00 O ATOM 338 CB PRO A 19 3.800 8.703 -0.403 1.00 0.00 C ATOM 339 CG PRO A 19 5.300 8.454 -0.252 1.00 0.00 C ATOM 340 CD PRO A 19 5.922 9.816 -0.564 1.00 0.00 C ATOM 0 HA PRO A 19 2.777 10.623 -0.384 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.213 8.011 0.201 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.472 8.582 -1.435 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.552 8.119 0.754 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.651 7.686 -0.941 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.805 9.990 0.051 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.243 9.867 -1.604 1.00 0.00 H new ATOM 348 N ALA A 20 2.128 10.281 1.983 1.00 0.00 N ATOM 349 CA ALA A 20 1.686 10.370 3.374 1.00 0.00 C ATOM 350 C ALA A 20 0.791 9.175 3.737 1.00 0.00 C ATOM 351 O ALA A 20 -0.302 9.014 3.193 1.00 0.00 O ATOM 352 CB ALA A 20 0.964 11.708 3.575 1.00 0.00 C ATOM 0 H ALA A 20 1.352 10.263 1.321 1.00 0.00 H new ATOM 0 HA ALA A 20 2.546 10.331 4.043 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.628 11.789 4.609 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.647 12.527 3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.103 11.760 2.909 1.00 0.00 H new ATOM 358 N TYR A 21 1.266 8.348 4.670 1.00 0.00 N ATOM 359 CA TYR A 21 0.590 7.137 5.153 1.00 0.00 C ATOM 360 C TYR A 21 -0.183 7.395 6.464 1.00 0.00 C ATOM 361 O TYR A 21 0.174 8.277 7.251 1.00 0.00 O ATOM 362 CB TYR A 21 1.625 6.013 5.348 1.00 0.00 C ATOM 363 CG TYR A 21 2.273 5.485 4.076 1.00 0.00 C ATOM 364 CD1 TYR A 21 3.344 6.180 3.476 1.00 0.00 C ATOM 365 CD2 TYR A 21 1.827 4.276 3.507 1.00 0.00 C ATOM 366 CE1 TYR A 21 3.953 5.679 2.310 1.00 0.00 C ATOM 367 CE2 TYR A 21 2.444 3.756 2.352 1.00 0.00 C ATOM 368 CZ TYR A 21 3.508 4.463 1.746 1.00 0.00 C ATOM 369 OH TYR A 21 4.121 3.973 0.635 1.00 0.00 O ATOM 0 H TYR A 21 2.164 8.506 5.128 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.141 6.834 4.404 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.411 6.378 6.009 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.139 5.181 5.859 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.699 7.101 3.914 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.004 3.743 3.960 1.00 0.00 H new ATOM 0 HE1 TYR A 21 4.761 6.225 1.846 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.105 2.821 1.931 1.00 0.00 H new ATOM 0 HH TYR A 21 4.072 2.994 0.639 1.00 0.00 H new ATOM 379 N GLU A 22 -1.226 6.603 6.714 1.00 0.00 N ATOM 380 CA GLU A 22 -2.145 6.729 7.850 1.00 0.00 C ATOM 381 C GLU A 22 -2.623 5.328 8.265 1.00 0.00 C ATOM 382 O GLU A 22 -3.044 4.547 7.415 1.00 0.00 O ATOM 383 CB GLU A 22 -3.295 7.654 7.420 1.00 0.00 C ATOM 384 CG GLU A 22 -4.316 7.939 8.528 1.00 0.00 C ATOM 385 CD GLU A 22 -5.384 8.969 8.109 1.00 0.00 C ATOM 386 OE1 GLU A 22 -5.302 9.551 6.999 1.00 0.00 O ATOM 387 OE2 GLU A 22 -6.311 9.221 8.915 1.00 0.00 O ATOM 0 H GLU A 22 -1.466 5.821 6.104 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.664 7.169 8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.877 8.599 7.074 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.811 7.204 6.572 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.807 7.008 8.811 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.793 8.304 9.412 1.00 0.00 H new ATOM 394 N ILE A 23 -2.535 4.979 9.555 1.00 0.00 N ATOM 395 CA ILE A 23 -2.713 3.597 10.059 1.00 0.00 C ATOM 396 C ILE A 23 -3.701 3.528 11.238 1.00 0.00 C ATOM 397 O ILE A 23 -3.772 4.448 12.059 1.00 0.00 O ATOM 398 CB ILE A 23 -1.319 2.992 10.400 1.00 0.00 C ATOM 399 CG1 ILE A 23 -0.503 2.806 9.097 1.00 0.00 C ATOM 400 CG2 ILE A 23 -1.401 1.654 11.169 1.00 0.00 C ATOM 401 CD1 ILE A 23 0.920 2.267 9.284 1.00 0.00 C ATOM 0 H ILE A 23 -2.336 5.653 10.294 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.167 2.990 9.276 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.821 3.698 11.065 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.047 2.127 8.441 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.445 3.766 8.584 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.394 1.290 11.374 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.930 1.807 12.110 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.937 0.920 10.567 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.404 2.174 8.312 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.490 2.954 9.909 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.879 1.289 9.764 1.00 0.00 H new ATOM 413 N ARG A 24 -4.431 2.407 11.325 1.00 0.00 N ATOM 414 CA ARG A 24 -5.385 2.054 12.387 1.00 0.00 C ATOM 415 C ARG A 24 -5.166 0.605 12.845 1.00 0.00 C ATOM 416 O ARG A 24 -4.954 -0.282 12.018 1.00 0.00 O ATOM 417 CB ARG A 24 -6.814 2.240 11.845 1.00 0.00 C ATOM 418 CG ARG A 24 -7.900 2.074 12.918 1.00 0.00 C ATOM 419 CD ARG A 24 -9.300 2.278 12.324 1.00 0.00 C ATOM 420 NE ARG A 24 -10.350 2.054 13.335 1.00 0.00 N ATOM 421 CZ ARG A 24 -10.817 2.934 14.215 1.00 0.00 C ATOM 422 NH1 ARG A 24 -10.363 4.169 14.284 1.00 0.00 N ATOM 423 NH2 ARG A 24 -11.766 2.575 15.053 1.00 0.00 N ATOM 0 H ARG A 24 -4.368 1.679 10.614 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.233 2.702 13.250 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.900 3.232 11.402 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.989 1.518 11.047 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.830 1.080 13.359 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.734 2.792 13.721 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.385 3.290 11.927 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.446 1.594 11.488 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.763 1.122 13.362 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.628 4.478 13.648 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.747 4.816 14.973 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.139 1.626 15.025 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.129 3.246 15.731 1.00 0.00 H new ATOM 561 N LYS A 33 -4.536 -6.953 14.298 1.00 0.00 N ATOM 562 CA LYS A 33 -4.489 -6.640 12.865 1.00 0.00 C ATOM 563 C LYS A 33 -4.425 -5.118 12.643 1.00 0.00 C ATOM 564 O LYS A 33 -4.773 -4.329 13.529 1.00 0.00 O ATOM 565 CB LYS A 33 -5.721 -7.256 12.173 1.00 0.00 C ATOM 566 CG LYS A 33 -5.660 -8.789 12.091 1.00 0.00 C ATOM 567 CD LYS A 33 -6.885 -9.349 11.358 1.00 0.00 C ATOM 568 CE LYS A 33 -6.803 -10.880 11.296 1.00 0.00 C ATOM 569 NZ LYS A 33 -7.977 -11.469 10.600 1.00 0.00 N ATOM 0 HA LYS A 33 -3.588 -7.069 12.427 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.620 -6.962 12.715 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.808 -6.847 11.166 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.751 -9.093 11.572 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.609 -9.209 13.096 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.797 -9.046 11.872 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.936 -8.938 10.350 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.889 -11.174 10.780 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.741 -11.282 12.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.884 -12.505 10.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.847 -11.210 11.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.022 -11.105 9.627 1.00 0.00 H new ATOM 583 N PHE A 34 -3.996 -4.698 11.453 1.00 0.00 N ATOM 584 CA PHE A 34 -3.778 -3.297 11.095 1.00 0.00 C ATOM 585 C PHE A 34 -4.348 -2.980 9.713 1.00 0.00 C ATOM 586 O PHE A 34 -4.251 -3.784 8.785 1.00 0.00 O ATOM 587 CB PHE A 34 -2.277 -2.971 11.165 1.00 0.00 C ATOM 588 CG PHE A 34 -1.689 -3.131 12.553 1.00 0.00 C ATOM 589 CD1 PHE A 34 -1.749 -2.069 13.475 1.00 0.00 C ATOM 590 CD2 PHE A 34 -1.128 -4.361 12.941 1.00 0.00 C ATOM 591 CE1 PHE A 34 -1.243 -2.240 14.777 1.00 0.00 C ATOM 592 CE2 PHE A 34 -0.623 -4.532 14.241 1.00 0.00 C ATOM 593 CZ PHE A 34 -0.680 -3.470 15.160 1.00 0.00 C ATOM 0 H PHE A 34 -3.785 -5.341 10.690 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.308 -2.669 11.811 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.739 -3.620 10.474 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.119 -1.947 10.828 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.183 -1.124 13.183 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.085 -5.178 12.236 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.287 -1.424 15.484 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.192 -5.478 14.534 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.292 -3.599 16.159 1.00 0.00 H new ATOM 603 N MET A 35 -4.908 -1.778 9.588 1.00 0.00 N ATOM 604 CA MET A 35 -5.379 -1.172 8.341 1.00 0.00 C ATOM 605 C MET A 35 -4.526 0.057 8.026 1.00 0.00 C ATOM 606 O MET A 35 -4.053 0.741 8.937 1.00 0.00 O ATOM 607 CB MET A 35 -6.859 -0.769 8.449 1.00 0.00 C ATOM 608 CG MET A 35 -7.752 -1.908 8.956 1.00 0.00 C ATOM 609 SD MET A 35 -9.532 -1.599 8.831 1.00 0.00 S ATOM 610 CE MET A 35 -9.754 -1.840 7.050 1.00 0.00 C ATOM 0 H MET A 35 -5.053 -1.169 10.393 1.00 0.00 H new ATOM 0 HA MET A 35 -5.286 -1.903 7.538 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.950 0.084 9.121 1.00 0.00 H new ATOM 0 HB3 MET A 35 -7.214 -0.443 7.471 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.515 -2.812 8.395 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.505 -2.106 9.999 1.00 0.00 H new ATOM 0 HE1 MET A 35 -10.286 -0.986 6.631 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.779 -1.931 6.571 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.330 -2.748 6.875 1.00 0.00 H new ATOM 620 N CYS A 36 -4.343 0.352 6.743 1.00 0.00 N ATOM 621 CA CYS A 36 -3.511 1.444 6.251 1.00 0.00 C ATOM 622 C CYS A 36 -4.184 2.157 5.074 1.00 0.00 C ATOM 623 O CYS A 36 -4.835 1.534 4.233 1.00 0.00 O ATOM 624 CB CYS A 36 -2.139 0.869 5.874 1.00 0.00 C ATOM 625 SG CYS A 36 -0.974 2.213 5.503 1.00 0.00 S ATOM 0 H CYS A 36 -4.784 -0.180 5.993 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.378 2.198 7.027 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.754 0.261 6.693 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.237 0.214 5.008 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.392 3.314 6.054 1.00 0.00 H new ATOM 631 N GLU A 37 -3.978 3.464 5.007 1.00 0.00 N ATOM 632 CA GLU A 37 -4.346 4.342 3.906 1.00 0.00 C ATOM 633 C GLU A 37 -3.103 5.137 3.481 1.00 0.00 C ATOM 634 O GLU A 37 -2.244 5.430 4.316 1.00 0.00 O ATOM 635 CB GLU A 37 -5.479 5.291 4.332 1.00 0.00 C ATOM 636 CG GLU A 37 -6.777 4.551 4.679 1.00 0.00 C ATOM 637 CD GLU A 37 -7.895 5.535 5.058 1.00 0.00 C ATOM 638 OE1 GLU A 37 -8.466 6.187 4.152 1.00 0.00 O ATOM 639 OE2 GLU A 37 -8.220 5.650 6.263 1.00 0.00 O ATOM 0 H GLU A 37 -3.522 3.970 5.766 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.708 3.751 3.065 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.155 5.871 5.196 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.675 6.000 3.527 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -7.093 3.948 3.828 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.597 3.865 5.507 1.00 0.00 H new ATOM 646 N VAL A 38 -3.001 5.498 2.201 1.00 0.00 N ATOM 647 CA VAL A 38 -1.915 6.351 1.681 1.00 0.00 C ATOM 648 C VAL A 38 -2.431 7.357 0.652 1.00 0.00 C ATOM 649 O VAL A 38 -3.289 7.037 -0.172 1.00 0.00 O ATOM 650 CB VAL A 38 -0.723 5.521 1.148 1.00 0.00 C ATOM 651 CG1 VAL A 38 -1.055 4.767 -0.145 1.00 0.00 C ATOM 652 CG2 VAL A 38 0.522 6.391 0.901 1.00 0.00 C ATOM 0 H VAL A 38 -3.670 5.209 1.487 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.532 6.928 2.522 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.511 4.795 1.933 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.182 4.203 -0.472 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.883 4.082 0.036 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.337 5.480 -0.920 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.334 5.767 0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.288 7.161 0.165 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.827 6.863 1.835 1.00 0.00 H new ATOM 662 N ARG A 39 -1.904 8.581 0.738 1.00 0.00 N ATOM 663 CA ARG A 39 -2.310 9.770 -0.016 1.00 0.00 C ATOM 664 C ARG A 39 -1.076 10.537 -0.521 1.00 0.00 C ATOM 665 O ARG A 39 0.022 10.386 0.017 1.00 0.00 O ATOM 666 CB ARG A 39 -3.168 10.667 0.901 1.00 0.00 C ATOM 667 CG ARG A 39 -4.543 10.052 1.213 1.00 0.00 C ATOM 668 CD ARG A 39 -5.406 10.928 2.135 1.00 0.00 C ATOM 669 NE ARG A 39 -4.975 10.861 3.547 1.00 0.00 N ATOM 670 CZ ARG A 39 -4.254 11.749 4.223 1.00 0.00 C ATOM 671 NH1 ARG A 39 -3.750 12.829 3.661 1.00 0.00 N ATOM 672 NH2 ARG A 39 -4.036 11.556 5.504 1.00 0.00 N ATOM 0 H ARG A 39 -1.134 8.781 1.376 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.894 9.471 -0.886 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.633 10.843 1.834 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.308 11.638 0.425 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.078 9.883 0.279 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.400 9.077 1.679 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.362 11.962 1.794 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.447 10.612 2.061 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.266 10.032 4.066 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.908 13.009 2.670 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.202 13.485 4.217 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -4.419 10.732 5.968 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.484 12.230 6.035 1.00 0.00 H new ATOM 686 N VAL A 40 -1.260 11.381 -1.537 1.00 0.00 N ATOM 687 CA VAL A 40 -0.222 12.241 -2.141 1.00 0.00 C ATOM 688 C VAL A 40 -0.848 13.602 -2.469 1.00 0.00 C ATOM 689 O VAL A 40 -1.974 13.659 -2.963 1.00 0.00 O ATOM 690 CB VAL A 40 0.393 11.601 -3.414 1.00 0.00 C ATOM 691 CG1 VAL A 40 1.515 12.476 -3.998 1.00 0.00 C ATOM 692 CG2 VAL A 40 0.982 10.203 -3.154 1.00 0.00 C ATOM 0 H VAL A 40 -2.169 11.494 -1.985 1.00 0.00 H new ATOM 0 HA VAL A 40 0.593 12.363 -1.428 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.434 11.517 -4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.923 11.998 -4.888 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.113 13.454 -4.263 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.305 12.597 -3.257 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.398 9.805 -4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.770 10.274 -2.404 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.197 9.538 -2.794 1.00 0.00 H new ATOM 702 N GLU A 41 -0.135 14.692 -2.167 1.00 0.00 N ATOM 703 CA GLU A 41 -0.606 16.067 -2.377 1.00 0.00 C ATOM 704 C GLU A 41 -0.932 16.337 -3.860 1.00 0.00 C ATOM 705 O GLU A 41 -0.124 16.062 -4.748 1.00 0.00 O ATOM 706 CB GLU A 41 0.446 17.053 -1.839 1.00 0.00 C ATOM 707 CG GLU A 41 -0.050 18.505 -1.853 1.00 0.00 C ATOM 708 CD GLU A 41 0.976 19.446 -1.206 1.00 0.00 C ATOM 709 OE1 GLU A 41 0.909 19.664 0.028 1.00 0.00 O ATOM 710 OE2 GLU A 41 1.851 19.984 -1.926 1.00 0.00 O ATOM 0 H GLU A 41 0.801 14.644 -1.763 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.536 16.208 -1.827 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.714 16.774 -0.820 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.352 16.976 -2.439 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.238 18.818 -2.880 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.998 18.574 -1.320 1.00 0.00 H new ATOM 717 N GLY A 42 -2.132 16.872 -4.124 1.00 0.00 N ATOM 718 CA GLY A 42 -2.645 17.142 -5.477 1.00 0.00 C ATOM 719 C GLY A 42 -3.489 16.009 -6.078 1.00 0.00 C ATOM 720 O GLY A 42 -3.958 16.150 -7.209 1.00 0.00 O ATOM 0 H GLY A 42 -2.788 17.135 -3.389 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.247 18.050 -5.449 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.802 17.339 -6.139 1.00 0.00 H new ATOM 724 N PHE A 43 -3.715 14.918 -5.334 1.00 0.00 N ATOM 725 CA PHE A 43 -4.535 13.769 -5.737 1.00 0.00 C ATOM 726 C PHE A 43 -5.624 13.502 -4.687 1.00 0.00 C ATOM 727 O PHE A 43 -5.340 13.409 -3.491 1.00 0.00 O ATOM 728 CB PHE A 43 -3.637 12.538 -5.943 1.00 0.00 C ATOM 729 CG PHE A 43 -2.579 12.717 -7.017 1.00 0.00 C ATOM 730 CD1 PHE A 43 -2.862 12.395 -8.358 1.00 0.00 C ATOM 731 CD2 PHE A 43 -1.320 13.252 -6.682 1.00 0.00 C ATOM 732 CE1 PHE A 43 -1.894 12.609 -9.356 1.00 0.00 C ATOM 733 CE2 PHE A 43 -0.360 13.477 -7.681 1.00 0.00 C ATOM 734 CZ PHE A 43 -0.644 13.154 -9.019 1.00 0.00 C ATOM 0 H PHE A 43 -3.317 14.808 -4.401 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.032 13.989 -6.682 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.146 12.298 -5.000 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.263 11.684 -6.203 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.825 11.983 -8.621 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.093 13.490 -5.653 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.112 12.354 -10.383 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.599 13.899 -7.421 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.097 13.324 -9.786 1.00 0.00 H new ATOM 744 N ASN A 44 -6.878 13.388 -5.136 1.00 0.00 N ATOM 745 CA ASN A 44 -8.051 13.277 -4.253 1.00 0.00 C ATOM 746 C ASN A 44 -8.321 11.841 -3.752 1.00 0.00 C ATOM 747 O ASN A 44 -9.107 11.649 -2.821 1.00 0.00 O ATOM 748 CB ASN A 44 -9.283 13.841 -4.982 1.00 0.00 C ATOM 749 CG ASN A 44 -9.148 15.327 -5.315 1.00 0.00 C ATOM 750 OD1 ASN A 44 -8.772 16.145 -4.483 1.00 0.00 O ATOM 751 ND2 ASN A 44 -9.449 15.721 -6.541 1.00 0.00 N ATOM 0 H ASN A 44 -7.113 13.370 -6.128 1.00 0.00 H new ATOM 0 HA ASN A 44 -7.837 13.860 -3.357 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.442 13.280 -5.903 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -10.166 13.692 -4.361 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.368 16.706 -6.794 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.762 15.040 -7.233 1.00 0.00 H new ATOM 758 N TYR A 45 -7.679 10.830 -4.346 1.00 0.00 N ATOM 759 CA TYR A 45 -7.816 9.420 -3.968 1.00 0.00 C ATOM 760 C TYR A 45 -6.944 9.033 -2.757 1.00 0.00 C ATOM 761 O TYR A 45 -5.925 9.668 -2.475 1.00 0.00 O ATOM 762 CB TYR A 45 -7.478 8.560 -5.192 1.00 0.00 C ATOM 763 CG TYR A 45 -7.802 7.088 -5.035 1.00 0.00 C ATOM 764 CD1 TYR A 45 -9.142 6.661 -5.099 1.00 0.00 C ATOM 765 CD2 TYR A 45 -6.777 6.149 -4.806 1.00 0.00 C ATOM 766 CE1 TYR A 45 -9.462 5.301 -4.941 1.00 0.00 C ATOM 767 CE2 TYR A 45 -7.089 4.784 -4.655 1.00 0.00 C ATOM 768 CZ TYR A 45 -8.434 4.357 -4.720 1.00 0.00 C ATOM 769 OH TYR A 45 -8.737 3.036 -4.594 1.00 0.00 O ATOM 0 H TYR A 45 -7.033 10.973 -5.123 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.844 9.245 -3.652 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.020 8.948 -6.054 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.415 8.664 -5.411 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.928 7.382 -5.270 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.750 6.477 -4.746 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.492 4.978 -4.988 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.301 4.064 -4.490 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.055 2.595 -4.046 1.00 0.00 H new ATOM 779 N ALA A 46 -7.327 7.953 -2.069 1.00 0.00 N ATOM 780 CA ALA A 46 -6.534 7.301 -1.030 1.00 0.00 C ATOM 781 C ALA A 46 -6.495 5.784 -1.284 1.00 0.00 C ATOM 782 O ALA A 46 -7.541 5.132 -1.312 1.00 0.00 O ATOM 783 CB ALA A 46 -7.137 7.644 0.340 1.00 0.00 C ATOM 0 H ALA A 46 -8.225 7.497 -2.227 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.504 7.659 -1.048 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.554 7.163 1.125 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.119 8.724 0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.167 7.289 0.384 1.00 0.00 H new ATOM 789 N GLY A 47 -5.292 5.225 -1.463 1.00 0.00 N ATOM 790 CA GLY A 47 -5.082 3.780 -1.612 1.00 0.00 C ATOM 791 C GLY A 47 -5.176 3.097 -0.256 1.00 0.00 C ATOM 792 O GLY A 47 -4.677 3.642 0.731 1.00 0.00 O ATOM 0 H GLY A 47 -4.430 5.768 -1.509 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.827 3.364 -2.290 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.105 3.590 -2.057 1.00 0.00 H new ATOM 796 N MET A 48 -5.807 1.923 -0.205 1.00 0.00 N ATOM 797 CA MET A 48 -6.193 1.228 1.032 1.00 0.00 C ATOM 798 C MET A 48 -5.623 -0.195 1.108 1.00 0.00 C ATOM 799 O MET A 48 -5.575 -0.914 0.107 1.00 0.00 O ATOM 800 CB MET A 48 -7.728 1.169 1.124 1.00 0.00 C ATOM 801 CG MET A 48 -8.379 2.559 1.143 1.00 0.00 C ATOM 802 SD MET A 48 -10.182 2.553 1.321 1.00 0.00 S ATOM 803 CE MET A 48 -10.647 1.988 -0.336 1.00 0.00 C ATOM 0 H MET A 48 -6.073 1.411 -1.046 1.00 0.00 H new ATOM 0 HA MET A 48 -5.778 1.791 1.868 1.00 0.00 H new ATOM 0 HB2 MET A 48 -8.116 0.603 0.277 1.00 0.00 H new ATOM 0 HB3 MET A 48 -8.012 0.628 2.026 1.00 0.00 H new ATOM 0 HG2 MET A 48 -7.949 3.135 1.963 1.00 0.00 H new ATOM 0 HG3 MET A 48 -8.121 3.078 0.220 1.00 0.00 H new ATOM 0 HE1 MET A 48 -11.392 2.664 -0.755 1.00 0.00 H new ATOM 0 HE2 MET A 48 -9.766 1.977 -0.977 1.00 0.00 H new ATOM 0 HE3 MET A 48 -11.063 0.983 -0.274 1.00 0.00 H new ATOM 813 N GLY A 49 -5.204 -0.607 2.307 1.00 0.00 N ATOM 814 CA GLY A 49 -4.673 -1.942 2.603 1.00 0.00 C ATOM 815 C GLY A 49 -4.911 -2.390 4.042 1.00 0.00 C ATOM 816 O GLY A 49 -5.258 -1.587 4.905 1.00 0.00 O ATOM 0 H GLY A 49 -5.225 -0.001 3.127 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.131 -2.664 1.926 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.602 -1.951 2.401 1.00 0.00 H new ATOM 820 N ASN A 50 -4.702 -3.679 4.309 1.00 0.00 N ATOM 821 CA ASN A 50 -4.755 -4.274 5.651 1.00 0.00 C ATOM 822 C ASN A 50 -3.955 -5.589 5.734 1.00 0.00 C ATOM 823 O ASN A 50 -3.688 -6.213 4.706 1.00 0.00 O ATOM 824 CB ASN A 50 -6.218 -4.456 6.105 1.00 0.00 C ATOM 825 CG ASN A 50 -6.970 -5.511 5.297 1.00 0.00 C ATOM 826 OD1 ASN A 50 -6.877 -6.703 5.561 1.00 0.00 O ATOM 827 ND2 ASN A 50 -7.739 -5.107 4.301 1.00 0.00 N ATOM 0 H ASN A 50 -4.485 -4.359 3.581 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.274 -3.582 6.342 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.233 -4.735 7.159 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.739 -3.503 6.021 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.258 -5.789 3.748 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.813 -4.113 4.085 1.00 0.00 H new ATOM 834 N SER A 51 -3.580 -6.007 6.947 1.00 0.00 N ATOM 835 CA SER A 51 -2.909 -7.286 7.253 1.00 0.00 C ATOM 836 C SER A 51 -2.806 -7.522 8.780 1.00 0.00 C ATOM 837 O SER A 51 -3.364 -6.760 9.575 1.00 0.00 O ATOM 838 CB SER A 51 -1.516 -7.346 6.594 1.00 0.00 C ATOM 839 OG SER A 51 -1.048 -8.688 6.570 1.00 0.00 O ATOM 0 H SER A 51 -3.740 -5.443 7.782 1.00 0.00 H new ATOM 0 HA SER A 51 -3.520 -8.087 6.836 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.567 -6.952 5.579 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.816 -6.718 7.145 1.00 0.00 H new ATOM 0 HG SER A 51 -0.075 -8.693 6.456 1.00 0.00 H new ATOM 845 N THR A 52 -2.060 -8.551 9.207 1.00 0.00 N ATOM 846 CA THR A 52 -1.681 -8.829 10.607 1.00 0.00 C ATOM 847 C THR A 52 -0.619 -7.871 11.153 1.00 0.00 C ATOM 848 O THR A 52 -0.327 -7.892 12.347 1.00 0.00 O ATOM 849 CB THR A 52 -1.164 -10.267 10.739 1.00 0.00 C ATOM 850 OG1 THR A 52 -0.072 -10.442 9.857 1.00 0.00 O ATOM 851 CG2 THR A 52 -2.247 -11.296 10.408 1.00 0.00 C ATOM 0 H THR A 52 -1.686 -9.245 8.560 1.00 0.00 H new ATOM 0 HA THR A 52 -2.586 -8.685 11.198 1.00 0.00 H new ATOM 0 HB THR A 52 -0.859 -10.425 11.774 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.268 -11.358 9.935 1.00 0.00 H new ATOM 0 HG21 THR A 52 -1.839 -12.301 10.514 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.088 -11.172 11.091 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.587 -11.149 9.383 1.00 0.00 H new ATOM 859 N ASN A 53 -0.035 -7.038 10.290 1.00 0.00 N ATOM 860 CA ASN A 53 1.112 -6.178 10.583 1.00 0.00 C ATOM 861 C ASN A 53 1.108 -4.906 9.715 1.00 0.00 C ATOM 862 O ASN A 53 0.590 -4.893 8.595 1.00 0.00 O ATOM 863 CB ASN A 53 2.405 -6.994 10.414 1.00 0.00 C ATOM 864 CG ASN A 53 2.649 -7.401 8.965 1.00 0.00 C ATOM 865 OD1 ASN A 53 3.265 -6.666 8.203 1.00 0.00 O ATOM 866 ND2 ASN A 53 2.162 -8.553 8.540 1.00 0.00 N ATOM 0 H ASN A 53 -0.362 -6.940 9.329 1.00 0.00 H new ATOM 0 HA ASN A 53 1.048 -5.833 11.615 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.251 -6.407 10.771 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.352 -7.888 11.036 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.298 -8.837 7.570 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.650 -9.158 9.182 1.00 0.00 H new ATOM 873 N LYS A 54 1.709 -3.827 10.227 1.00 0.00 N ATOM 874 CA LYS A 54 1.717 -2.506 9.578 1.00 0.00 C ATOM 875 C LYS A 54 2.469 -2.481 8.234 1.00 0.00 C ATOM 876 O LYS A 54 2.088 -1.739 7.330 1.00 0.00 O ATOM 877 CB LYS A 54 2.315 -1.477 10.555 1.00 0.00 C ATOM 878 CG LYS A 54 1.449 -1.271 11.809 1.00 0.00 C ATOM 879 CD LYS A 54 2.055 -0.190 12.713 1.00 0.00 C ATOM 880 CE LYS A 54 1.203 -0.013 13.977 1.00 0.00 C ATOM 881 NZ LYS A 54 1.778 1.008 14.892 1.00 0.00 N ATOM 0 H LYS A 54 2.211 -3.844 11.115 1.00 0.00 H new ATOM 0 HA LYS A 54 0.684 -2.253 9.337 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.310 -1.805 10.856 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.435 -0.523 10.042 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.439 -0.984 11.517 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.367 -2.209 12.359 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.073 -0.465 12.988 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.115 0.754 12.172 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.191 0.280 13.695 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.125 -0.967 14.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.174 1.099 15.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.734 0.716 15.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.829 1.924 14.402 1.00 0.00 H new ATOM 895 N LYS A 55 3.505 -3.307 8.066 1.00 0.00 N ATOM 896 CA LYS A 55 4.343 -3.348 6.856 1.00 0.00 C ATOM 897 C LYS A 55 3.589 -3.896 5.634 1.00 0.00 C ATOM 898 O LYS A 55 3.577 -3.275 4.569 1.00 0.00 O ATOM 899 CB LYS A 55 5.586 -4.184 7.188 1.00 0.00 C ATOM 900 CG LYS A 55 6.631 -4.165 6.064 1.00 0.00 C ATOM 901 CD LYS A 55 7.866 -4.990 6.457 1.00 0.00 C ATOM 902 CE LYS A 55 8.862 -5.105 5.295 1.00 0.00 C ATOM 903 NZ LYS A 55 9.481 -3.802 4.949 1.00 0.00 N ATOM 0 H LYS A 55 3.793 -3.979 8.777 1.00 0.00 H new ATOM 0 HA LYS A 55 4.632 -2.336 6.574 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.038 -3.807 8.105 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.285 -5.214 7.381 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.195 -4.566 5.149 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.926 -3.137 5.852 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.357 -4.526 7.313 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.554 -5.987 6.770 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.644 -5.817 5.560 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.350 -5.505 4.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.145 -3.932 4.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.739 -3.128 4.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.993 -3.431 5.775 1.00 0.00 H new ATOM 917 N ASP A 56 2.894 -5.018 5.804 1.00 0.00 N ATOM 918 CA ASP A 56 2.043 -5.609 4.769 1.00 0.00 C ATOM 919 C ASP A 56 0.792 -4.758 4.508 1.00 0.00 C ATOM 920 O ASP A 56 0.325 -4.679 3.371 1.00 0.00 O ATOM 921 CB ASP A 56 1.645 -7.029 5.194 1.00 0.00 C ATOM 922 CG ASP A 56 2.766 -8.079 5.081 1.00 0.00 C ATOM 923 OD1 ASP A 56 3.738 -7.885 4.315 1.00 0.00 O ATOM 924 OD2 ASP A 56 2.639 -9.127 5.757 1.00 0.00 O ATOM 0 H ASP A 56 2.905 -5.550 6.674 1.00 0.00 H new ATOM 0 HA ASP A 56 2.608 -5.646 3.837 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.298 -6.999 6.227 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.802 -7.352 4.584 1.00 0.00 H new ATOM 929 N ALA A 57 0.288 -4.058 5.532 1.00 0.00 N ATOM 930 CA ALA A 57 -0.833 -3.128 5.376 1.00 0.00 C ATOM 931 C ALA A 57 -0.434 -1.902 4.531 1.00 0.00 C ATOM 932 O ALA A 57 -1.156 -1.544 3.599 1.00 0.00 O ATOM 933 CB ALA A 57 -1.367 -2.761 6.767 1.00 0.00 C ATOM 0 H ALA A 57 0.644 -4.121 6.486 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.641 -3.605 4.821 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.203 -2.069 6.665 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.704 -3.663 7.277 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.574 -2.290 7.348 1.00 0.00 H new ATOM 939 N GLN A 58 0.741 -1.315 4.795 1.00 0.00 N ATOM 940 CA GLN A 58 1.335 -0.257 3.969 1.00 0.00 C ATOM 941 C GLN A 58 1.612 -0.729 2.541 1.00 0.00 C ATOM 942 O GLN A 58 1.353 0.015 1.602 1.00 0.00 O ATOM 943 CB GLN A 58 2.663 0.224 4.573 1.00 0.00 C ATOM 944 CG GLN A 58 2.502 1.175 5.764 1.00 0.00 C ATOM 945 CD GLN A 58 3.864 1.591 6.318 1.00 0.00 C ATOM 946 OE1 GLN A 58 4.704 2.146 5.619 1.00 0.00 O ATOM 947 NE2 GLN A 58 4.150 1.334 7.577 1.00 0.00 N ATOM 0 H GLN A 58 1.314 -1.566 5.601 1.00 0.00 H new ATOM 0 HA GLN A 58 0.608 0.555 3.944 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.241 -0.644 4.891 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.242 0.725 3.797 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.945 2.060 5.455 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.920 0.689 6.547 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.462 0.873 8.172 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.059 1.596 7.957 1.00 0.00 H new ATOM 956 N SER A 59 2.116 -1.950 2.354 1.00 0.00 N ATOM 957 CA SER A 59 2.412 -2.479 1.014 1.00 0.00 C ATOM 958 C SER A 59 1.138 -2.646 0.172 1.00 0.00 C ATOM 959 O SER A 59 1.124 -2.294 -1.009 1.00 0.00 O ATOM 960 CB SER A 59 3.167 -3.812 1.114 1.00 0.00 C ATOM 961 OG SER A 59 4.427 -3.644 1.751 1.00 0.00 O ATOM 0 H SER A 59 2.330 -2.596 3.114 1.00 0.00 H new ATOM 0 HA SER A 59 3.047 -1.751 0.509 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.568 -4.531 1.672 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.314 -4.225 0.116 1.00 0.00 H new ATOM 0 HG SER A 59 4.292 -3.507 2.712 1.00 0.00 H new ATOM 967 N ASN A 60 0.038 -3.093 0.789 1.00 0.00 N ATOM 968 CA ASN A 60 -1.271 -3.165 0.134 1.00 0.00 C ATOM 969 C ASN A 60 -1.839 -1.764 -0.170 1.00 0.00 C ATOM 970 O ASN A 60 -2.342 -1.536 -1.273 1.00 0.00 O ATOM 971 CB ASN A 60 -2.241 -4.001 0.993 1.00 0.00 C ATOM 972 CG ASN A 60 -2.037 -5.511 0.858 1.00 0.00 C ATOM 973 OD1 ASN A 60 -1.737 -6.031 -0.210 1.00 0.00 O ATOM 974 ND2 ASN A 60 -2.236 -6.272 1.920 1.00 0.00 N ATOM 0 H ASN A 60 0.031 -3.415 1.757 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.147 -3.661 -0.829 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.121 -3.719 2.039 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.265 -3.755 0.712 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.140 -7.285 1.847 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.486 -5.847 2.813 1.00 0.00 H new ATOM 981 N ALA A 61 -1.705 -0.802 0.755 1.00 0.00 N ATOM 982 CA ALA A 61 -2.139 0.584 0.549 1.00 0.00 C ATOM 983 C ALA A 61 -1.360 1.272 -0.584 1.00 0.00 C ATOM 984 O ALA A 61 -1.964 1.893 -1.459 1.00 0.00 O ATOM 985 CB ALA A 61 -2.005 1.343 1.875 1.00 0.00 C ATOM 0 H ALA A 61 -1.290 -0.967 1.672 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.183 0.587 0.235 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.324 2.376 1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.630 0.868 2.631 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.965 1.325 2.201 1.00 0.00 H new ATOM 991 N ALA A 62 -0.035 1.099 -0.610 1.00 0.00 N ATOM 992 CA ALA A 62 0.845 1.589 -1.668 1.00 0.00 C ATOM 993 C ALA A 62 0.464 0.992 -3.026 1.00 0.00 C ATOM 994 O ALA A 62 0.252 1.744 -3.981 1.00 0.00 O ATOM 995 CB ALA A 62 2.294 1.269 -1.281 1.00 0.00 C ATOM 0 H ALA A 62 0.466 0.600 0.126 1.00 0.00 H new ATOM 0 HA ALA A 62 0.737 2.669 -1.772 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.966 1.628 -2.060 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.536 1.760 -0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.411 0.191 -1.169 1.00 0.00 H new ATOM 1001 N ARG A 63 0.292 -0.336 -3.106 1.00 0.00 N ATOM 1002 CA ARG A 63 -0.124 -0.999 -4.343 1.00 0.00 C ATOM 1003 C ARG A 63 -1.463 -0.464 -4.857 1.00 0.00 C ATOM 1004 O ARG A 63 -1.588 -0.243 -6.055 1.00 0.00 O ATOM 1005 CB ARG A 63 -0.161 -2.527 -4.151 1.00 0.00 C ATOM 1006 CG ARG A 63 -0.428 -3.300 -5.455 1.00 0.00 C ATOM 1007 CD ARG A 63 0.677 -3.169 -6.521 1.00 0.00 C ATOM 1008 NE ARG A 63 0.097 -3.182 -7.875 1.00 0.00 N ATOM 1009 CZ ARG A 63 0.476 -3.881 -8.936 1.00 0.00 C ATOM 1010 NH1 ARG A 63 1.548 -4.647 -8.951 1.00 0.00 N ATOM 1011 NH2 ARG A 63 -0.248 -3.788 -10.029 1.00 0.00 N ATOM 0 H ARG A 63 0.437 -0.972 -2.322 1.00 0.00 H new ATOM 0 HA ARG A 63 0.618 -0.770 -5.108 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.789 -2.856 -3.730 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.935 -2.776 -3.425 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.559 -4.355 -5.215 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.368 -2.951 -5.882 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.231 -2.243 -6.366 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.389 -3.988 -6.417 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.706 -2.569 -8.016 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.132 -4.723 -8.118 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.794 -5.164 -9.795 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.075 -3.191 -10.044 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.017 -4.313 -10.862 1.00 0.00 H new ATOM 1025 N ASP A 64 -2.433 -0.185 -3.985 1.00 0.00 N ATOM 1026 CA ASP A 64 -3.742 0.345 -4.386 1.00 0.00 C ATOM 1027 C ASP A 64 -3.700 1.825 -4.821 1.00 0.00 C ATOM 1028 O ASP A 64 -4.440 2.213 -5.727 1.00 0.00 O ATOM 1029 CB ASP A 64 -4.743 0.106 -3.250 1.00 0.00 C ATOM 1030 CG ASP A 64 -6.190 0.456 -3.634 1.00 0.00 C ATOM 1031 OD1 ASP A 64 -6.621 0.128 -4.768 1.00 0.00 O ATOM 1032 OD2 ASP A 64 -6.887 1.030 -2.767 1.00 0.00 O ATOM 0 H ASP A 64 -2.335 -0.320 -2.979 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.065 -0.193 -5.277 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.697 -0.940 -2.948 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.450 0.701 -2.385 1.00 0.00 H new ATOM 1037 N PHE A 65 -2.795 2.643 -4.262 1.00 0.00 N ATOM 1038 CA PHE A 65 -2.573 4.008 -4.755 1.00 0.00 C ATOM 1039 C PHE A 65 -1.774 4.019 -6.066 1.00 0.00 C ATOM 1040 O PHE A 65 -2.105 4.774 -6.976 1.00 0.00 O ATOM 1041 CB PHE A 65 -1.906 4.888 -3.690 1.00 0.00 C ATOM 1042 CG PHE A 65 -1.890 6.357 -4.082 1.00 0.00 C ATOM 1043 CD1 PHE A 65 -2.978 7.191 -3.758 1.00 0.00 C ATOM 1044 CD2 PHE A 65 -0.822 6.878 -4.837 1.00 0.00 C ATOM 1045 CE1 PHE A 65 -3.001 8.529 -4.191 1.00 0.00 C ATOM 1046 CE2 PHE A 65 -0.844 8.216 -5.268 1.00 0.00 C ATOM 1047 CZ PHE A 65 -1.936 9.040 -4.951 1.00 0.00 C ATOM 0 H PHE A 65 -2.207 2.382 -3.470 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.553 4.433 -4.970 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.434 4.773 -2.744 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.884 4.546 -3.528 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.799 6.801 -3.174 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.018 6.247 -5.086 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.838 9.164 -3.939 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.020 8.611 -5.844 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.957 10.065 -5.291 1.00 0.00 H new ATOM 1057 N VAL A 66 -0.768 3.154 -6.214 1.00 0.00 N ATOM 1058 CA VAL A 66 -0.039 3.003 -7.488 1.00 0.00 C ATOM 1059 C VAL A 66 -0.966 2.456 -8.578 1.00 0.00 C ATOM 1060 O VAL A 66 -0.936 2.935 -9.709 1.00 0.00 O ATOM 1061 CB VAL A 66 1.215 2.122 -7.338 1.00 0.00 C ATOM 1062 CG1 VAL A 66 1.907 1.895 -8.687 1.00 0.00 C ATOM 1063 CG2 VAL A 66 2.226 2.792 -6.402 1.00 0.00 C ATOM 0 H VAL A 66 -0.434 2.543 -5.468 1.00 0.00 H new ATOM 0 HA VAL A 66 0.302 3.994 -7.787 1.00 0.00 H new ATOM 0 HB VAL A 66 0.885 1.166 -6.931 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.788 1.269 -8.543 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.218 1.400 -9.371 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.208 2.854 -9.107 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.108 2.158 -6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.517 3.759 -6.813 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.773 2.937 -5.421 1.00 0.00 H new ATOM 1073 N ASN A 67 -1.857 1.527 -8.225 1.00 0.00 N ATOM 1074 CA ASN A 67 -2.942 1.086 -9.110 1.00 0.00 C ATOM 1075 C ASN A 67 -3.812 2.283 -9.533 1.00 0.00 C ATOM 1076 O ASN A 67 -3.980 2.494 -10.729 1.00 0.00 O ATOM 1077 CB ASN A 67 -3.795 -0.022 -8.468 1.00 0.00 C ATOM 1078 CG ASN A 67 -3.127 -1.395 -8.396 1.00 0.00 C ATOM 1079 OD1 ASN A 67 -2.128 -1.687 -9.045 1.00 0.00 O ATOM 1080 ND2 ASN A 67 -3.686 -2.302 -7.615 1.00 0.00 N ATOM 0 H ASN A 67 -1.848 1.059 -7.319 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.486 0.657 -10.002 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.064 0.287 -7.458 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.724 -0.116 -9.031 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.287 -3.239 -7.554 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.517 -2.066 -7.073 1.00 0.00 H new ATOM 1087 N TYR A 68 -4.253 3.154 -8.615 1.00 0.00 N ATOM 1088 CA TYR A 68 -4.923 4.422 -8.961 1.00 0.00 C ATOM 1089 C TYR A 68 -4.127 5.297 -9.945 1.00 0.00 C ATOM 1090 O TYR A 68 -4.704 5.790 -10.914 1.00 0.00 O ATOM 1091 CB TYR A 68 -5.299 5.191 -7.687 1.00 0.00 C ATOM 1092 CG TYR A 68 -5.542 6.679 -7.877 1.00 0.00 C ATOM 1093 CD1 TYR A 68 -6.756 7.138 -8.425 1.00 0.00 C ATOM 1094 CD2 TYR A 68 -4.541 7.604 -7.519 1.00 0.00 C ATOM 1095 CE1 TYR A 68 -6.976 8.518 -8.601 1.00 0.00 C ATOM 1096 CE2 TYR A 68 -4.753 8.983 -7.697 1.00 0.00 C ATOM 1097 CZ TYR A 68 -5.979 9.447 -8.225 1.00 0.00 C ATOM 1098 OH TYR A 68 -6.205 10.785 -8.346 1.00 0.00 O ATOM 0 H TYR A 68 -4.157 3.002 -7.611 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.836 4.158 -9.495 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.198 4.743 -7.264 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.503 5.060 -6.954 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.520 6.430 -8.711 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.607 7.253 -7.106 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.907 8.867 -9.023 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.979 9.687 -7.430 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.980 11.232 -7.504 1.00 0.00 H new ATOM 1108 N LEU A 69 -2.801 5.398 -9.797 1.00 0.00 N ATOM 1109 CA LEU A 69 -1.939 6.098 -10.765 1.00 0.00 C ATOM 1110 C LEU A 69 -1.931 5.450 -12.165 1.00 0.00 C ATOM 1111 O LEU A 69 -1.675 6.149 -13.144 1.00 0.00 O ATOM 1112 CB LEU A 69 -0.516 6.260 -10.209 1.00 0.00 C ATOM 1113 CG LEU A 69 -0.385 7.088 -8.914 1.00 0.00 C ATOM 1114 CD1 LEU A 69 1.066 6.990 -8.426 1.00 0.00 C ATOM 1115 CD2 LEU A 69 -0.792 8.554 -9.124 1.00 0.00 C ATOM 0 H LEU A 69 -2.294 4.999 -9.007 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.373 7.088 -10.905 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.104 5.268 -10.025 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.102 6.724 -10.977 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.065 6.684 -8.164 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.182 7.569 -7.510 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.314 5.947 -8.230 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.735 7.384 -9.191 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.684 9.099 -8.186 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.151 9.005 -9.882 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.830 8.600 -9.453 1.00 0.00 H new ATOM 1127 N VAL A 70 -2.269 4.163 -12.290 1.00 0.00 N ATOM 1128 CA VAL A 70 -2.537 3.494 -13.584 1.00 0.00 C ATOM 1129 C VAL A 70 -3.976 3.770 -14.059 1.00 0.00 C ATOM 1130 O VAL A 70 -4.180 4.015 -15.247 1.00 0.00 O ATOM 1131 CB VAL A 70 -2.271 1.965 -13.543 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -2.430 1.321 -14.932 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -0.867 1.611 -13.021 1.00 0.00 C ATOM 0 H VAL A 70 -2.368 3.540 -11.488 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.834 3.922 -14.299 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.017 1.571 -12.853 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.236 0.251 -14.861 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.445 1.482 -15.294 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.722 1.773 -15.626 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.743 0.528 -13.016 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.114 2.060 -13.669 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.748 1.994 -12.007 1.00 0.00 H new ATOM 1143 N ARG A 71 -4.962 3.822 -13.145 1.00 0.00 N ATOM 1144 CA ARG A 71 -6.365 4.170 -13.454 1.00 0.00 C ATOM 1145 C ARG A 71 -6.502 5.595 -14.029 1.00 0.00 C ATOM 1146 O ARG A 71 -7.379 5.834 -14.861 1.00 0.00 O ATOM 1147 CB ARG A 71 -7.280 4.014 -12.217 1.00 0.00 C ATOM 1148 CG ARG A 71 -7.318 2.598 -11.608 1.00 0.00 C ATOM 1149 CD ARG A 71 -8.114 2.557 -10.290 1.00 0.00 C ATOM 1150 NE ARG A 71 -7.763 1.371 -9.476 1.00 0.00 N ATOM 1151 CZ ARG A 71 -7.558 1.324 -8.158 1.00 0.00 C ATOM 1152 NH1 ARG A 71 -7.679 2.377 -7.382 1.00 0.00 N ATOM 1153 NH2 ARG A 71 -7.227 0.195 -7.573 1.00 0.00 N ATOM 0 H ARG A 71 -4.807 3.621 -12.157 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.688 3.464 -14.219 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.950 4.714 -11.450 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.294 4.301 -12.496 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.765 1.908 -12.323 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.300 2.254 -11.427 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.917 3.463 -9.717 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.182 2.545 -10.510 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.667 0.489 -9.980 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.940 3.278 -7.782 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.512 2.293 -6.379 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.125 -0.655 -8.127 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.072 0.169 -6.565 1.00 0.00 H new ATOM 1167 N ILE A 72 -5.612 6.524 -13.647 1.00 0.00 N ATOM 1168 CA ILE A 72 -5.521 7.897 -14.205 1.00 0.00 C ATOM 1169 C ILE A 72 -4.384 8.085 -15.233 1.00 0.00 C ATOM 1170 O ILE A 72 -4.166 9.197 -15.710 1.00 0.00 O ATOM 1171 CB ILE A 72 -5.479 8.967 -13.084 1.00 0.00 C ATOM 1172 CG1 ILE A 72 -4.172 8.938 -12.260 1.00 0.00 C ATOM 1173 CG2 ILE A 72 -6.715 8.832 -12.175 1.00 0.00 C ATOM 1174 CD1 ILE A 72 -3.933 10.214 -11.447 1.00 0.00 C ATOM 0 H ILE A 72 -4.915 6.344 -12.924 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.440 8.045 -14.772 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.499 9.941 -13.573 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.198 8.085 -11.582 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.330 8.784 -12.935 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.675 9.589 -11.391 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.619 8.971 -12.767 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.727 7.841 -11.722 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.998 10.123 -10.894 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.875 11.069 -12.121 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.756 10.359 -10.747 1.00 0.00 H new ATOM 1186 N ASN A 73 -3.654 7.016 -15.573 1.00 0.00 N ATOM 1187 CA ASN A 73 -2.618 6.958 -16.620 1.00 0.00 C ATOM 1188 C ASN A 73 -1.355 7.814 -16.331 1.00 0.00 C ATOM 1189 O ASN A 73 -0.612 8.179 -17.246 1.00 0.00 O ATOM 1190 CB ASN A 73 -3.256 7.230 -18.000 1.00 0.00 C ATOM 1191 CG ASN A 73 -2.386 6.770 -19.172 1.00 0.00 C ATOM 1192 OD1 ASN A 73 -1.739 5.729 -19.131 1.00 0.00 O ATOM 1193 ND2 ASN A 73 -2.355 7.525 -20.257 1.00 0.00 N ATOM 0 H ASN A 73 -3.774 6.119 -15.102 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.218 5.944 -16.624 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -4.220 6.725 -18.052 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -3.450 8.298 -18.098 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.793 7.242 -21.060 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.893 8.391 -20.291 1.00 0.00 H new ATOM 1200 N GLU A 74 -1.084 8.117 -15.056 1.00 0.00 N ATOM 1201 CA GLU A 74 0.144 8.783 -14.588 1.00 0.00 C ATOM 1202 C GLU A 74 1.311 7.799 -14.348 1.00 0.00 C ATOM 1203 O GLU A 74 2.458 8.232 -14.222 1.00 0.00 O ATOM 1204 CB GLU A 74 -0.151 9.586 -13.307 1.00 0.00 C ATOM 1205 CG GLU A 74 -0.987 10.849 -13.558 1.00 0.00 C ATOM 1206 CD GLU A 74 -0.247 11.877 -14.429 1.00 0.00 C ATOM 1207 OE1 GLU A 74 0.808 12.392 -13.988 1.00 0.00 O ATOM 1208 OE2 GLU A 74 -0.717 12.184 -15.550 1.00 0.00 O ATOM 0 H GLU A 74 -1.730 7.901 -14.297 1.00 0.00 H new ATOM 0 HA GLU A 74 0.464 9.457 -15.383 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.677 8.946 -12.599 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.792 9.870 -12.840 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.923 10.572 -14.044 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.247 11.306 -12.603 1.00 0.00 H new ATOM 1215 N VAL A 75 1.040 6.488 -14.322 1.00 0.00 N ATOM 1216 CA VAL A 75 2.025 5.391 -14.230 1.00 0.00 C ATOM 1217 C VAL A 75 1.593 4.250 -15.158 1.00 0.00 C ATOM 1218 O VAL A 75 0.402 3.970 -15.278 1.00 0.00 O ATOM 1219 CB VAL A 75 2.154 4.872 -12.772 1.00 0.00 C ATOM 1220 CG1 VAL A 75 3.153 3.713 -12.626 1.00 0.00 C ATOM 1221 CG2 VAL A 75 2.683 5.958 -11.832 1.00 0.00 C ATOM 0 H VAL A 75 0.082 6.141 -14.367 1.00 0.00 H new ATOM 0 HA VAL A 75 3.000 5.770 -14.536 1.00 0.00 H new ATOM 0 HB VAL A 75 1.144 4.551 -12.518 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.195 3.398 -11.583 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.832 2.876 -13.245 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.142 4.042 -12.946 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.760 5.558 -10.821 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.667 6.283 -12.169 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.999 6.807 -11.835 1.00 0.00 H new ATOM 1231 N LYS A 76 2.550 3.580 -15.811 1.00 0.00 N ATOM 1232 CA LYS A 76 2.302 2.332 -16.547 1.00 0.00 C ATOM 1233 C LYS A 76 2.406 1.113 -15.618 1.00 0.00 C ATOM 1234 O LYS A 76 3.401 0.950 -14.911 1.00 0.00 O ATOM 1235 CB LYS A 76 3.315 2.172 -17.692 1.00 0.00 C ATOM 1236 CG LYS A 76 3.129 3.189 -18.831 1.00 0.00 C ATOM 1237 CD LYS A 76 4.068 2.907 -20.019 1.00 0.00 C ATOM 1238 CE LYS A 76 3.783 1.534 -20.649 1.00 0.00 C ATOM 1239 NZ LYS A 76 4.737 1.180 -21.728 1.00 0.00 N ATOM 0 H LYS A 76 3.522 3.888 -15.845 1.00 0.00 H new ATOM 0 HA LYS A 76 1.292 2.387 -16.954 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.323 2.271 -17.290 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.232 1.165 -18.100 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.094 3.164 -19.173 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.315 4.194 -18.453 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.948 3.686 -20.772 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.104 2.946 -19.682 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.822 0.770 -19.873 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.770 1.529 -21.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.838 0.146 -21.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.380 1.537 -22.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.663 1.609 -21.527 1.00 0.00 H new ATOM 1253 N SER A 77 1.440 0.197 -15.676 1.00 0.00 N ATOM 1254 CA SER A 77 1.447 -1.050 -14.888 1.00 0.00 C ATOM 1255 C SER A 77 2.715 -1.896 -15.097 1.00 0.00 C ATOM 1256 O SER A 77 3.228 -2.473 -14.136 1.00 0.00 O ATOM 1257 CB SER A 77 0.201 -1.880 -15.219 1.00 0.00 C ATOM 1258 OG SER A 77 0.047 -2.031 -16.626 1.00 0.00 O ATOM 0 H SER A 77 0.620 0.294 -16.275 1.00 0.00 H new ATOM 0 HA SER A 77 1.439 -0.759 -13.838 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.279 -2.861 -14.751 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.683 -1.397 -14.803 1.00 0.00 H new ATOM 0 HG SER A 77 -0.753 -2.565 -16.812 1.00 0.00 H new ATOM 1264 N GLU A 78 3.290 -1.879 -16.308 1.00 0.00 N ATOM 1265 CA GLU A 78 4.528 -2.591 -16.669 1.00 0.00 C ATOM 1266 C GLU A 78 5.737 -2.231 -15.779 1.00 0.00 C ATOM 1267 O GLU A 78 6.669 -3.030 -15.658 1.00 0.00 O ATOM 1268 CB GLU A 78 4.893 -2.319 -18.141 1.00 0.00 C ATOM 1269 CG GLU A 78 3.825 -2.784 -19.142 1.00 0.00 C ATOM 1270 CD GLU A 78 4.345 -2.696 -20.586 1.00 0.00 C ATOM 1271 OE1 GLU A 78 4.368 -1.580 -21.159 1.00 0.00 O ATOM 1272 OE2 GLU A 78 4.731 -3.743 -21.159 1.00 0.00 O ATOM 0 H GLU A 78 2.896 -1.354 -17.088 1.00 0.00 H new ATOM 0 HA GLU A 78 4.315 -3.648 -16.511 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.059 -1.250 -18.272 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.834 -2.819 -18.370 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.535 -3.811 -18.918 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.931 -2.170 -19.036 1.00 0.00 H new ATOM 1279 N GLU A 79 5.718 -1.063 -15.123 1.00 0.00 N ATOM 1280 CA GLU A 79 6.775 -0.603 -14.215 1.00 0.00 C ATOM 1281 C GLU A 79 6.539 -1.002 -12.744 1.00 0.00 C ATOM 1282 O GLU A 79 7.469 -0.954 -11.938 1.00 0.00 O ATOM 1283 CB GLU A 79 6.870 0.930 -14.290 1.00 0.00 C ATOM 1284 CG GLU A 79 7.261 1.484 -15.669 1.00 0.00 C ATOM 1285 CD GLU A 79 8.658 1.021 -16.116 1.00 0.00 C ATOM 1286 OE1 GLU A 79 9.666 1.458 -15.512 1.00 0.00 O ATOM 1287 OE2 GLU A 79 8.759 0.238 -17.090 1.00 0.00 O ATOM 0 H GLU A 79 4.950 -0.398 -15.211 1.00 0.00 H new ATOM 0 HA GLU A 79 7.697 -1.085 -14.540 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.908 1.354 -14.003 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.600 1.271 -13.556 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.524 1.167 -16.407 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.235 2.573 -15.640 1.00 0.00 H new ATOM 1294 N VAL A 80 5.316 -1.397 -12.382 1.00 0.00 N ATOM 1295 CA VAL A 80 4.878 -1.574 -10.984 1.00 0.00 C ATOM 1296 C VAL A 80 5.299 -2.955 -10.441 1.00 0.00 C ATOM 1297 O VAL A 80 4.976 -3.964 -11.074 1.00 0.00 O ATOM 1298 CB VAL A 80 3.348 -1.387 -10.837 1.00 0.00 C ATOM 1299 CG1 VAL A 80 2.930 -1.437 -9.359 1.00 0.00 C ATOM 1300 CG2 VAL A 80 2.874 -0.048 -11.430 1.00 0.00 C ATOM 0 H VAL A 80 4.584 -1.608 -13.061 1.00 0.00 H new ATOM 0 HA VAL A 80 5.371 -0.802 -10.394 1.00 0.00 H new ATOM 0 HB VAL A 80 2.882 -2.205 -11.387 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.851 -1.303 -9.281 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.208 -2.402 -8.935 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.435 -0.641 -8.811 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.795 0.043 -11.306 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.369 0.774 -10.914 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.122 -0.012 -12.491 1.00 0.00 H new ATOM 1310 N PRO A 81 5.983 -3.032 -9.278 1.00 0.00 N ATOM 1311 CA PRO A 81 6.416 -4.295 -8.683 1.00 0.00 C ATOM 1312 C PRO A 81 5.262 -5.050 -8.005 1.00 0.00 C ATOM 1313 O PRO A 81 4.233 -4.476 -7.641 1.00 0.00 O ATOM 1314 CB PRO A 81 7.510 -3.912 -7.680 1.00 0.00 C ATOM 1315 CG PRO A 81 7.084 -2.521 -7.221 1.00 0.00 C ATOM 1316 CD PRO A 81 6.483 -1.913 -8.486 1.00 0.00 C ATOM 0 HA PRO A 81 6.785 -4.983 -9.444 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.558 -4.614 -6.848 1.00 0.00 H new ATOM 0 HB3 PRO A 81 8.496 -3.899 -8.144 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.357 -2.568 -6.411 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.930 -1.939 -6.856 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.678 -1.220 -8.240 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.232 -1.348 -9.040 1.00 0.00 H new