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 5 LYS NZ :NH3+ -148:sc= 2 (180deg=0.793) USER MOD Set 1.2: A 58 GLN : amide:sc= 1.12 K(o=3.1,f=-4.8) 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 82:sc= 0.229 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= -0.278 (180deg=-0.342) 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 -131:sc= 0 (180deg=-0.0581) USER MOD Single : A 36 CYS SG : rot 29:sc= -0.0292 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot -158:sc= 0.616 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0711 X(o=-0.071,f=-0.46) USER MOD Single : A 51 SER OG : rot 159:sc= 1.32 USER MOD Single : A 52 THR OG1 : rot 180:sc=-0.00841 USER MOD Single : A 53 ASN : amide:sc= 0.653 K(o=0.65,f=-4.4!) USER MOD Single : A 54 LYS NZ :NH3+ -113:sc= 0.944 (180deg=0.00326) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 70:sc= 0.77 USER MOD Single : A 60 ASN : amide:sc= 0.831 K(o=0.83,f=0) USER MOD Single : A 67 ASN : amide:sc= 1.81 K(o=1.8,f=-3.7!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ -142:sc= 1.23 (180deg=0.677) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 68 N ILE A 4 6.865 -2.272 -3.158 1.00 0.00 N ATOM 69 CA ILE A 4 5.847 -1.320 -3.648 1.00 0.00 C ATOM 70 C ILE A 4 5.723 -0.041 -2.794 1.00 0.00 C ATOM 71 O ILE A 4 5.459 1.034 -3.331 1.00 0.00 O ATOM 72 CB ILE A 4 4.506 -2.070 -3.820 1.00 0.00 C ATOM 73 CG1 ILE A 4 3.400 -1.245 -4.508 1.00 0.00 C ATOM 74 CG2 ILE A 4 3.974 -2.597 -2.476 1.00 0.00 C ATOM 75 CD1 ILE A 4 3.688 -0.907 -5.972 1.00 0.00 C ATOM 0 HA ILE A 4 6.171 -0.943 -4.618 1.00 0.00 H new ATOM 0 HB ILE A 4 4.746 -2.902 -4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 4 2.462 -1.798 -4.452 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.257 -0.317 -3.954 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.030 -3.118 -2.637 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.699 -3.286 -2.042 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.815 -1.761 -1.795 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.861 -0.326 -6.381 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.608 -0.325 -6.037 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.801 -1.829 -6.543 1.00 0.00 H new ATOM 87 N LYS A 5 6.015 -0.117 -1.491 1.00 0.00 N ATOM 88 CA LYS A 5 6.155 1.049 -0.600 1.00 0.00 C ATOM 89 C LYS A 5 7.247 2.004 -1.125 1.00 0.00 C ATOM 90 O LYS A 5 7.007 3.195 -1.331 1.00 0.00 O ATOM 91 CB LYS A 5 6.431 0.511 0.821 1.00 0.00 C ATOM 92 CG LYS A 5 6.240 1.502 1.986 1.00 0.00 C ATOM 93 CD LYS A 5 7.157 2.733 1.916 1.00 0.00 C ATOM 94 CE LYS A 5 7.401 3.402 3.272 1.00 0.00 C ATOM 95 NZ LYS A 5 6.176 3.971 3.889 1.00 0.00 N ATOM 0 H LYS A 5 6.164 -1.006 -1.013 1.00 0.00 H new ATOM 0 HA LYS A 5 5.244 1.648 -0.572 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.779 -0.346 0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.456 0.143 0.852 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.202 1.835 2.000 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.420 0.981 2.926 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.116 2.436 1.490 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.718 3.463 1.235 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.834 2.671 3.955 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.136 4.197 3.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.427 4.813 4.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.503 4.238 3.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.739 3.262 4.511 1.00 0.00 H new ATOM 109 N ASN A 6 8.439 1.468 -1.406 1.00 0.00 N ATOM 110 CA ASN A 6 9.555 2.228 -1.973 1.00 0.00 C ATOM 111 C ASN A 6 9.307 2.650 -3.435 1.00 0.00 C ATOM 112 O ASN A 6 9.809 3.691 -3.856 1.00 0.00 O ATOM 113 CB ASN A 6 10.844 1.402 -1.833 1.00 0.00 C ATOM 114 CG ASN A 6 12.081 2.195 -2.253 1.00 0.00 C ATOM 115 OD1 ASN A 6 12.365 3.266 -1.730 1.00 0.00 O ATOM 116 ND2 ASN A 6 12.849 1.696 -3.206 1.00 0.00 N ATOM 0 H ASN A 6 8.657 0.485 -1.244 1.00 0.00 H new ATOM 0 HA ASN A 6 9.655 3.158 -1.414 1.00 0.00 H new ATOM 0 HB2 ASN A 6 10.956 1.077 -0.799 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.766 0.502 -2.443 1.00 0.00 H new ATOM 0 HD21 ASN A 6 13.681 2.203 -3.508 1.00 0.00 H new ATOM 0 HD22 ASN A 6 12.610 0.804 -3.639 1.00 0.00 H new ATOM 123 N PHE A 7 8.490 1.906 -4.195 1.00 0.00 N ATOM 124 CA PHE A 7 8.105 2.275 -5.560 1.00 0.00 C ATOM 125 C PHE A 7 7.264 3.556 -5.580 1.00 0.00 C ATOM 126 O PHE A 7 7.572 4.465 -6.349 1.00 0.00 O ATOM 127 CB PHE A 7 7.341 1.124 -6.223 1.00 0.00 C ATOM 128 CG PHE A 7 6.918 1.411 -7.650 1.00 0.00 C ATOM 129 CD1 PHE A 7 7.824 1.221 -8.709 1.00 0.00 C ATOM 130 CD2 PHE A 7 5.624 1.897 -7.916 1.00 0.00 C ATOM 131 CE1 PHE A 7 7.432 1.508 -10.028 1.00 0.00 C ATOM 132 CE2 PHE A 7 5.234 2.183 -9.235 1.00 0.00 C ATOM 133 CZ PHE A 7 6.136 1.984 -10.294 1.00 0.00 C ATOM 0 H PHE A 7 8.078 1.029 -3.877 1.00 0.00 H new ATOM 0 HA PHE A 7 9.017 2.469 -6.125 1.00 0.00 H new ATOM 0 HB2 PHE A 7 7.967 0.231 -6.212 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.455 0.899 -5.630 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.820 0.855 -8.509 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.929 2.050 -7.104 1.00 0.00 H new ATOM 0 HE1 PHE A 7 8.129 1.362 -10.840 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.240 2.556 -9.435 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.835 2.196 -11.309 1.00 0.00 H new ATOM 143 N LEU A 8 6.251 3.661 -4.708 1.00 0.00 N ATOM 144 CA LEU A 8 5.453 4.884 -4.572 1.00 0.00 C ATOM 145 C LEU A 8 6.315 6.059 -4.093 1.00 0.00 C ATOM 146 O LEU A 8 6.211 7.159 -4.633 1.00 0.00 O ATOM 147 CB LEU A 8 4.269 4.616 -3.623 1.00 0.00 C ATOM 148 CG LEU A 8 3.309 5.814 -3.441 1.00 0.00 C ATOM 149 CD1 LEU A 8 2.763 6.362 -4.769 1.00 0.00 C ATOM 150 CD2 LEU A 8 2.132 5.391 -2.553 1.00 0.00 C ATOM 0 H LEU A 8 5.965 2.907 -4.083 1.00 0.00 H new ATOM 0 HA LEU A 8 5.059 5.167 -5.548 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.701 3.766 -4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.660 4.329 -2.647 1.00 0.00 H new ATOM 0 HG LEU A 8 3.887 6.613 -2.977 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.096 7.201 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.592 6.697 -5.392 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.213 5.577 -5.288 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.453 6.234 -2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.599 4.565 -3.024 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.506 5.073 -1.580 1.00 0.00 H new ATOM 162 N TYR A 9 7.209 5.820 -3.131 1.00 0.00 N ATOM 163 CA TYR A 9 8.122 6.846 -2.620 1.00 0.00 C ATOM 164 C TYR A 9 9.094 7.371 -3.697 1.00 0.00 C ATOM 165 O TYR A 9 9.290 8.582 -3.818 1.00 0.00 O ATOM 166 CB TYR A 9 8.870 6.286 -1.402 1.00 0.00 C ATOM 167 CG TYR A 9 9.630 7.336 -0.618 1.00 0.00 C ATOM 168 CD1 TYR A 9 10.958 7.658 -0.960 1.00 0.00 C ATOM 169 CD2 TYR A 9 9.001 8.008 0.448 1.00 0.00 C ATOM 170 CE1 TYR A 9 11.653 8.655 -0.249 1.00 0.00 C ATOM 171 CE2 TYR A 9 9.690 9.004 1.166 1.00 0.00 C ATOM 172 CZ TYR A 9 11.019 9.334 0.817 1.00 0.00 C ATOM 173 OH TYR A 9 11.682 10.301 1.512 1.00 0.00 O ATOM 0 H TYR A 9 7.321 4.910 -2.684 1.00 0.00 H new ATOM 0 HA TYR A 9 7.532 7.711 -2.318 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.154 5.798 -0.740 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.568 5.519 -1.737 1.00 0.00 H new ATOM 0 HD1 TYR A 9 11.445 7.138 -1.771 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.985 7.758 0.716 1.00 0.00 H new ATOM 0 HE1 TYR A 9 12.670 8.901 -0.518 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.203 9.516 1.983 1.00 0.00 H new ATOM 0 HH TYR A 9 11.096 10.663 2.209 1.00 0.00 H new ATOM 183 N ALA A 10 9.654 6.480 -4.523 1.00 0.00 N ATOM 184 CA ALA A 10 10.538 6.829 -5.639 1.00 0.00 C ATOM 185 C ALA A 10 9.790 7.514 -6.794 1.00 0.00 C ATOM 186 O ALA A 10 10.307 8.463 -7.380 1.00 0.00 O ATOM 187 CB ALA A 10 11.253 5.554 -6.108 1.00 0.00 C ATOM 0 H ALA A 10 9.502 5.476 -4.432 1.00 0.00 H new ATOM 0 HA ALA A 10 11.269 7.559 -5.293 1.00 0.00 H new ATOM 0 HB1 ALA A 10 11.916 5.794 -6.939 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.837 5.141 -5.285 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.514 4.821 -6.433 1.00 0.00 H new ATOM 193 N TRP A 11 8.558 7.090 -7.093 1.00 0.00 N ATOM 194 CA TRP A 11 7.682 7.746 -8.068 1.00 0.00 C ATOM 195 C TRP A 11 7.371 9.191 -7.652 1.00 0.00 C ATOM 196 O TRP A 11 7.525 10.113 -8.452 1.00 0.00 O ATOM 197 CB TRP A 11 6.400 6.921 -8.222 1.00 0.00 C ATOM 198 CG TRP A 11 5.380 7.524 -9.137 1.00 0.00 C ATOM 199 CD1 TRP A 11 5.281 7.324 -10.470 1.00 0.00 C ATOM 200 CD2 TRP A 11 4.301 8.444 -8.792 1.00 0.00 C ATOM 201 NE1 TRP A 11 4.226 8.062 -10.976 1.00 0.00 N ATOM 202 CE2 TRP A 11 3.601 8.790 -9.985 1.00 0.00 C ATOM 203 CE3 TRP A 11 3.840 9.017 -7.588 1.00 0.00 C ATOM 204 CZ2 TRP A 11 2.522 9.684 -9.980 1.00 0.00 C ATOM 205 CZ3 TRP A 11 2.748 9.903 -7.570 1.00 0.00 C ATOM 206 CH2 TRP A 11 2.093 10.244 -8.766 1.00 0.00 C ATOM 0 H TRP A 11 8.136 6.270 -6.658 1.00 0.00 H new ATOM 0 HA TRP A 11 8.191 7.798 -9.031 1.00 0.00 H new ATOM 0 HB2 TRP A 11 6.663 5.931 -8.594 1.00 0.00 H new ATOM 0 HB3 TRP A 11 5.951 6.783 -7.238 1.00 0.00 H new ATOM 0 HD1 TRP A 11 5.928 6.685 -11.052 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.946 8.067 -11.957 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.336 8.770 -6.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 2.024 9.940 -10.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.411 10.323 -6.634 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.263 10.934 -8.751 1.00 0.00 H new ATOM 217 N CYS A 12 7.016 9.397 -6.380 1.00 0.00 N ATOM 218 CA CYS A 12 6.845 10.729 -5.789 1.00 0.00 C ATOM 219 C CYS A 12 8.134 11.568 -5.891 1.00 0.00 C ATOM 220 O CYS A 12 8.084 12.719 -6.331 1.00 0.00 O ATOM 221 CB CYS A 12 6.409 10.576 -4.326 1.00 0.00 C ATOM 222 SG CYS A 12 4.718 9.935 -4.187 1.00 0.00 S ATOM 0 H CYS A 12 6.837 8.636 -5.724 1.00 0.00 H new ATOM 0 HA CYS A 12 6.075 11.262 -6.347 1.00 0.00 H new ATOM 0 HB2 CYS A 12 7.095 9.904 -3.811 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.473 11.542 -3.825 1.00 0.00 H new ATOM 0 HG CYS A 12 4.732 8.641 -4.316 1.00 0.00 H new ATOM 228 N GLY A 13 9.290 10.983 -5.559 1.00 0.00 N ATOM 229 CA GLY A 13 10.594 11.664 -5.556 1.00 0.00 C ATOM 230 C GLY A 13 11.084 12.083 -6.946 1.00 0.00 C ATOM 231 O GLY A 13 11.771 13.094 -7.070 1.00 0.00 O ATOM 0 H GLY A 13 9.349 10.004 -5.279 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.528 12.549 -4.924 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.335 11.004 -5.105 1.00 0.00 H new ATOM 235 N LYS A 14 10.671 11.377 -8.005 1.00 0.00 N ATOM 236 CA LYS A 14 10.944 11.745 -9.407 1.00 0.00 C ATOM 237 C LYS A 14 10.000 12.849 -9.934 1.00 0.00 C ATOM 238 O LYS A 14 10.197 13.362 -11.039 1.00 0.00 O ATOM 239 CB LYS A 14 10.889 10.472 -10.275 1.00 0.00 C ATOM 240 CG LYS A 14 12.119 9.578 -10.045 1.00 0.00 C ATOM 241 CD LYS A 14 12.101 8.295 -10.889 1.00 0.00 C ATOM 242 CE LYS A 14 10.961 7.350 -10.481 1.00 0.00 C ATOM 243 NZ LYS A 14 11.004 6.076 -11.246 1.00 0.00 N ATOM 0 H LYS A 14 10.128 10.518 -7.915 1.00 0.00 H new ATOM 0 HA LYS A 14 11.943 12.178 -9.463 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.983 9.912 -10.044 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.832 10.750 -11.327 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.021 10.145 -10.277 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.173 9.310 -8.990 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.995 8.556 -11.942 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.055 7.778 -10.783 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.029 7.137 -9.414 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.003 7.842 -10.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.220 5.463 -10.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.914 6.278 -12.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.908 5.594 -11.068 1.00 0.00 H new ATOM 257 N ARG A 15 8.999 13.227 -9.129 1.00 0.00 N ATOM 258 CA ARG A 15 7.974 14.245 -9.400 1.00 0.00 C ATOM 259 C ARG A 15 8.004 15.404 -8.378 1.00 0.00 C ATOM 260 O ARG A 15 7.087 16.226 -8.357 1.00 0.00 O ATOM 261 CB ARG A 15 6.598 13.554 -9.425 1.00 0.00 C ATOM 262 CG ARG A 15 6.474 12.482 -10.525 1.00 0.00 C ATOM 263 CD ARG A 15 5.107 11.789 -10.513 1.00 0.00 C ATOM 264 NE ARG A 15 4.011 12.708 -10.880 1.00 0.00 N ATOM 265 CZ ARG A 15 3.152 12.570 -11.885 1.00 0.00 C ATOM 266 NH1 ARG A 15 3.197 11.587 -12.755 1.00 0.00 N ATOM 267 NH2 ARG A 15 2.180 13.434 -12.055 1.00 0.00 N ATOM 0 H ARG A 15 8.875 12.802 -8.210 1.00 0.00 H new ATOM 0 HA ARG A 15 8.180 14.702 -10.368 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.413 13.092 -8.455 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.824 14.307 -9.572 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.636 12.944 -11.499 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.258 11.736 -10.392 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.122 10.949 -11.207 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.918 11.379 -9.521 1.00 0.00 H new ATOM 0 HE ARG A 15 3.901 13.539 -10.299 1.00 0.00 H new ATOM 0 HH11 ARG A 15 3.922 10.873 -12.681 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.507 11.538 -13.505 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.078 14.220 -11.413 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.526 13.320 -12.829 1.00 0.00 H new ATOM 281 N LYS A 16 9.030 15.465 -7.514 1.00 0.00 N ATOM 282 CA LYS A 16 9.231 16.480 -6.457 1.00 0.00 C ATOM 283 C LYS A 16 8.146 16.445 -5.348 1.00 0.00 C ATOM 284 O LYS A 16 7.808 17.473 -4.753 1.00 0.00 O ATOM 285 CB LYS A 16 9.448 17.884 -7.070 1.00 0.00 C ATOM 286 CG LYS A 16 10.625 17.934 -8.060 1.00 0.00 C ATOM 287 CD LYS A 16 10.856 19.364 -8.567 1.00 0.00 C ATOM 288 CE LYS A 16 12.033 19.389 -9.552 1.00 0.00 C ATOM 289 NZ LYS A 16 12.292 20.761 -10.063 1.00 0.00 N ATOM 0 H LYS A 16 9.781 14.775 -7.531 1.00 0.00 H new ATOM 0 HA LYS A 16 10.150 16.217 -5.933 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.537 18.196 -7.581 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.625 18.601 -6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.529 17.566 -7.575 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.424 17.273 -8.903 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.955 19.735 -9.055 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.060 20.028 -7.727 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.928 19.009 -9.060 1.00 0.00 H new ATOM 0 HE3 LYS A 16 11.822 18.723 -10.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.093 20.739 -10.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.446 21.114 -10.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.518 21.391 -9.267 1.00 0.00 H new ATOM 303 N MET A 17 7.595 15.257 -5.071 1.00 0.00 N ATOM 304 CA MET A 17 6.563 14.980 -4.058 1.00 0.00 C ATOM 305 C MET A 17 7.067 13.987 -2.993 1.00 0.00 C ATOM 306 O MET A 17 8.117 13.360 -3.161 1.00 0.00 O ATOM 307 CB MET A 17 5.310 14.408 -4.752 1.00 0.00 C ATOM 308 CG MET A 17 4.694 15.375 -5.766 1.00 0.00 C ATOM 309 SD MET A 17 3.082 14.874 -6.429 1.00 0.00 S ATOM 310 CE MET A 17 3.496 13.254 -7.125 1.00 0.00 C ATOM 0 H MET A 17 7.871 14.414 -5.575 1.00 0.00 H new ATOM 0 HA MET A 17 6.319 15.915 -3.553 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.574 13.479 -5.258 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.565 14.159 -3.997 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.587 16.352 -5.294 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.389 15.497 -6.597 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.630 12.851 -7.650 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.327 13.359 -7.823 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.781 12.575 -6.322 1.00 0.00 H new ATOM 320 N THR A 18 6.260 13.788 -1.942 1.00 0.00 N ATOM 321 CA THR A 18 6.465 12.804 -0.860 1.00 0.00 C ATOM 322 C THR A 18 5.101 12.209 -0.475 1.00 0.00 C ATOM 323 O THR A 18 4.170 12.994 -0.267 1.00 0.00 O ATOM 324 CB THR A 18 7.115 13.473 0.364 1.00 0.00 C ATOM 325 OG1 THR A 18 8.294 14.144 -0.031 1.00 0.00 O ATOM 326 CG2 THR A 18 7.509 12.453 1.435 1.00 0.00 C ATOM 0 H THR A 18 5.406 14.331 -1.813 1.00 0.00 H new ATOM 0 HA THR A 18 7.132 12.015 -1.206 1.00 0.00 H new ATOM 0 HB THR A 18 6.378 14.162 0.777 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.705 14.570 0.750 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.964 12.970 2.280 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.621 11.918 1.772 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.223 11.744 1.017 1.00 0.00 H new ATOM 334 N PRO A 19 4.944 10.871 -0.380 1.00 0.00 N ATOM 335 CA PRO A 19 3.687 10.245 0.019 1.00 0.00 C ATOM 336 C PRO A 19 3.485 10.347 1.536 1.00 0.00 C ATOM 337 O PRO A 19 4.444 10.291 2.309 1.00 0.00 O ATOM 338 CB PRO A 19 3.795 8.791 -0.446 1.00 0.00 C ATOM 339 CG PRO A 19 5.289 8.505 -0.324 1.00 0.00 C ATOM 340 CD PRO A 19 5.942 9.846 -0.662 1.00 0.00 C ATOM 0 HA PRO A 19 2.822 10.737 -0.426 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.203 8.122 0.179 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.442 8.667 -1.470 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.553 8.173 0.680 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.604 7.721 -1.012 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.840 10.003 -0.064 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.246 9.877 -1.708 1.00 0.00 H new ATOM 348 N ALA A 20 2.226 10.476 1.959 1.00 0.00 N ATOM 349 CA ALA A 20 1.825 10.584 3.361 1.00 0.00 C ATOM 350 C ALA A 20 0.948 9.390 3.765 1.00 0.00 C ATOM 351 O ALA A 20 -0.149 9.206 3.234 1.00 0.00 O ATOM 352 CB ALA A 20 1.105 11.925 3.559 1.00 0.00 C ATOM 0 H ALA A 20 1.435 10.509 1.316 1.00 0.00 H new ATOM 0 HA ALA A 20 2.701 10.559 4.009 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.798 12.023 4.600 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.779 12.742 3.301 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.225 11.964 2.916 1.00 0.00 H new ATOM 358 N TYR A 21 1.438 8.588 4.712 1.00 0.00 N ATOM 359 CA TYR A 21 0.783 7.374 5.216 1.00 0.00 C ATOM 360 C TYR A 21 0.053 7.613 6.556 1.00 0.00 C ATOM 361 O TYR A 21 0.406 8.517 7.319 1.00 0.00 O ATOM 362 CB TYR A 21 1.826 6.253 5.378 1.00 0.00 C ATOM 363 CG TYR A 21 2.416 5.706 4.088 1.00 0.00 C ATOM 364 CD1 TYR A 21 3.492 6.365 3.458 1.00 0.00 C ATOM 365 CD2 TYR A 21 1.915 4.509 3.537 1.00 0.00 C ATOM 366 CE1 TYR A 21 4.052 5.839 2.278 1.00 0.00 C ATOM 367 CE2 TYR A 21 2.481 3.968 2.367 1.00 0.00 C ATOM 368 CZ TYR A 21 3.550 4.638 1.730 1.00 0.00 C ATOM 369 OH TYR A 21 4.109 4.133 0.597 1.00 0.00 O ATOM 0 H TYR A 21 2.333 8.770 5.167 1.00 0.00 H new ATOM 0 HA TYR A 21 0.029 7.080 4.486 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.641 6.628 5.998 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.364 5.429 5.922 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.888 7.276 3.882 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.090 4.003 4.016 1.00 0.00 H new ATOM 0 HE1 TYR A 21 4.867 6.355 1.791 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.100 3.044 1.958 1.00 0.00 H new ATOM 0 HH TYR A 21 4.031 3.156 0.601 1.00 0.00 H new ATOM 379 N GLU A 22 -0.927 6.762 6.870 1.00 0.00 N ATOM 380 CA GLU A 22 -1.637 6.721 8.156 1.00 0.00 C ATOM 381 C GLU A 22 -2.044 5.275 8.488 1.00 0.00 C ATOM 382 O GLU A 22 -2.245 4.468 7.582 1.00 0.00 O ATOM 383 CB GLU A 22 -2.844 7.680 8.107 1.00 0.00 C ATOM 384 CG GLU A 22 -3.628 7.806 9.423 1.00 0.00 C ATOM 385 CD GLU A 22 -2.745 8.288 10.584 1.00 0.00 C ATOM 386 OE1 GLU A 22 -2.062 7.444 11.211 1.00 0.00 O ATOM 387 OE2 GLU A 22 -2.731 9.508 10.876 1.00 0.00 O ATOM 0 H GLU A 22 -1.262 6.056 6.214 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.982 7.058 8.959 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.491 8.669 7.816 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.526 7.342 7.326 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.455 8.502 9.285 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.064 6.840 9.678 1.00 0.00 H new ATOM 394 N ILE A 23 -2.133 4.921 9.776 1.00 0.00 N ATOM 395 CA ILE A 23 -2.302 3.537 10.271 1.00 0.00 C ATOM 396 C ILE A 23 -3.313 3.478 11.436 1.00 0.00 C ATOM 397 O ILE A 23 -3.380 4.397 12.256 1.00 0.00 O ATOM 398 CB ILE A 23 -0.913 2.938 10.647 1.00 0.00 C ATOM 399 CG1 ILE A 23 -0.053 2.761 9.369 1.00 0.00 C ATOM 400 CG2 ILE A 23 -1.024 1.601 11.412 1.00 0.00 C ATOM 401 CD1 ILE A 23 1.338 2.155 9.587 1.00 0.00 C ATOM 0 H ILE A 23 -2.089 5.606 10.530 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.723 2.921 9.476 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.429 3.644 11.322 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.600 2.129 8.669 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.065 3.735 8.894 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.026 1.232 11.647 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.580 1.756 12.336 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.545 0.870 10.793 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.854 2.075 8.630 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.913 2.795 10.257 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.238 1.164 10.029 1.00 0.00 H new ATOM 413 N ARG A 24 -4.079 2.379 11.520 1.00 0.00 N ATOM 414 CA ARG A 24 -5.076 2.103 12.569 1.00 0.00 C ATOM 415 C ARG A 24 -5.024 0.635 13.005 1.00 0.00 C ATOM 416 O ARG A 24 -4.980 -0.264 12.168 1.00 0.00 O ATOM 417 CB ARG A 24 -6.477 2.452 12.040 1.00 0.00 C ATOM 418 CG ARG A 24 -7.566 2.398 13.123 1.00 0.00 C ATOM 419 CD ARG A 24 -8.937 2.765 12.541 1.00 0.00 C ATOM 420 NE ARG A 24 -9.999 2.660 13.559 1.00 0.00 N ATOM 421 CZ ARG A 24 -10.367 3.591 14.433 1.00 0.00 C ATOM 422 NH1 ARG A 24 -9.786 4.771 14.491 1.00 0.00 N ATOM 423 NH2 ARG A 24 -11.345 3.341 15.276 1.00 0.00 N ATOM 0 H ARG A 24 -4.019 1.628 10.832 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.850 2.717 13.441 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.455 3.452 11.606 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.737 1.762 11.238 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.606 1.398 13.555 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.314 3.084 13.932 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.907 3.781 12.148 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.167 2.106 11.704 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.507 1.776 13.596 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.025 4.997 13.851 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.097 5.459 15.176 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.816 2.437 15.257 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.632 4.051 15.949 1.00 0.00 H new ATOM 561 N LYS A 33 -4.337 -6.779 14.303 1.00 0.00 N ATOM 562 CA LYS A 33 -4.037 -6.424 12.911 1.00 0.00 C ATOM 563 C LYS A 33 -3.997 -4.895 12.722 1.00 0.00 C ATOM 564 O LYS A 33 -4.423 -4.136 13.601 1.00 0.00 O ATOM 565 CB LYS A 33 -5.094 -7.077 11.999 1.00 0.00 C ATOM 566 CG LYS A 33 -4.884 -8.593 11.854 1.00 0.00 C ATOM 567 CD LYS A 33 -5.794 -9.196 10.778 1.00 0.00 C ATOM 568 CE LYS A 33 -5.484 -10.693 10.639 1.00 0.00 C ATOM 569 NZ LYS A 33 -6.324 -11.343 9.599 1.00 0.00 N ATOM 0 HA LYS A 33 -3.049 -6.797 12.643 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.088 -6.887 12.405 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.058 -6.612 11.014 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.842 -8.793 11.602 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.080 -9.080 12.809 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.840 -9.052 11.047 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.637 -8.689 9.826 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.431 -10.823 10.388 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.647 -11.187 11.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.082 -12.353 9.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.328 -11.242 9.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.150 -10.890 8.679 1.00 0.00 H new ATOM 583 N PHE A 34 -3.510 -4.438 11.569 1.00 0.00 N ATOM 584 CA PHE A 34 -3.290 -3.031 11.247 1.00 0.00 C ATOM 585 C PHE A 34 -3.804 -2.696 9.842 1.00 0.00 C ATOM 586 O PHE A 34 -3.381 -3.296 8.853 1.00 0.00 O ATOM 587 CB PHE A 34 -1.790 -2.706 11.369 1.00 0.00 C ATOM 588 CG PHE A 34 -1.219 -2.948 12.752 1.00 0.00 C ATOM 589 CD1 PHE A 34 -1.424 -2.003 13.775 1.00 0.00 C ATOM 590 CD2 PHE A 34 -0.513 -4.134 13.028 1.00 0.00 C ATOM 591 CE1 PHE A 34 -0.929 -2.246 15.070 1.00 0.00 C ATOM 592 CE2 PHE A 34 -0.018 -4.377 14.321 1.00 0.00 C ATOM 593 CZ PHE A 34 -0.226 -3.434 15.343 1.00 0.00 C ATOM 0 H PHE A 34 -3.248 -5.062 10.806 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.850 -2.419 11.954 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.238 -3.309 10.648 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.631 -1.662 11.099 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.962 -1.090 13.566 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.351 -4.859 12.244 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.089 -1.521 15.854 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.522 -5.289 14.530 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.153 -3.621 16.337 1.00 0.00 H new ATOM 603 N MET A 35 -4.693 -1.705 9.768 1.00 0.00 N ATOM 604 CA MET A 35 -5.137 -1.060 8.529 1.00 0.00 C ATOM 605 C MET A 35 -4.211 0.116 8.208 1.00 0.00 C ATOM 606 O MET A 35 -3.616 0.707 9.112 1.00 0.00 O ATOM 607 CB MET A 35 -6.581 -0.549 8.649 1.00 0.00 C ATOM 608 CG MET A 35 -7.564 -1.626 9.117 1.00 0.00 C ATOM 609 SD MET A 35 -9.312 -1.207 8.894 1.00 0.00 S ATOM 610 CE MET A 35 -9.456 -1.474 7.108 1.00 0.00 C ATOM 0 H MET A 35 -5.140 -1.315 10.597 1.00 0.00 H new ATOM 0 HA MET A 35 -5.101 -1.800 7.730 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.607 0.287 9.348 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.906 -0.165 7.682 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.354 -2.549 8.577 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.385 -1.827 10.173 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.942 -0.613 6.649 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.463 -1.602 6.678 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.050 -2.368 6.921 1.00 0.00 H new ATOM 620 N CYS A 36 -4.115 0.487 6.934 1.00 0.00 N ATOM 621 CA CYS A 36 -3.263 1.571 6.457 1.00 0.00 C ATOM 622 C CYS A 36 -3.919 2.346 5.304 1.00 0.00 C ATOM 623 O CYS A 36 -4.612 1.764 4.467 1.00 0.00 O ATOM 624 CB CYS A 36 -1.901 0.967 6.080 1.00 0.00 C ATOM 625 SG CYS A 36 -0.736 2.284 5.639 1.00 0.00 S ATOM 0 H CYS A 36 -4.640 0.031 6.188 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.117 2.313 7.242 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.508 0.388 6.915 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.019 0.279 5.242 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.043 3.369 6.286 1.00 0.00 H new ATOM 631 N GLU A 37 -3.674 3.652 5.267 1.00 0.00 N ATOM 632 CA GLU A 37 -4.021 4.566 4.184 1.00 0.00 C ATOM 633 C GLU A 37 -2.749 5.249 3.660 1.00 0.00 C ATOM 634 O GLU A 37 -1.813 5.482 4.427 1.00 0.00 O ATOM 635 CB GLU A 37 -4.979 5.663 4.675 1.00 0.00 C ATOM 636 CG GLU A 37 -6.361 5.159 5.105 1.00 0.00 C ATOM 637 CD GLU A 37 -7.272 6.336 5.489 1.00 0.00 C ATOM 638 OE1 GLU A 37 -7.458 7.257 4.658 1.00 0.00 O ATOM 639 OE2 GLU A 37 -7.805 6.348 6.623 1.00 0.00 O ATOM 0 H GLU A 37 -3.201 4.128 6.035 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.504 3.986 3.398 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.518 6.180 5.516 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -5.106 6.398 3.880 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.815 4.591 4.293 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.259 4.480 5.952 1.00 0.00 H new ATOM 646 N VAL A 38 -2.745 5.637 2.382 1.00 0.00 N ATOM 647 CA VAL A 38 -1.710 6.496 1.781 1.00 0.00 C ATOM 648 C VAL A 38 -2.323 7.502 0.804 1.00 0.00 C ATOM 649 O VAL A 38 -3.268 7.185 0.077 1.00 0.00 O ATOM 650 CB VAL A 38 -0.569 5.675 1.136 1.00 0.00 C ATOM 651 CG1 VAL A 38 -1.000 4.959 -0.149 1.00 0.00 C ATOM 652 CG2 VAL A 38 0.655 6.557 0.829 1.00 0.00 C ATOM 0 H VAL A 38 -3.471 5.361 1.721 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.254 7.066 2.590 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.303 4.918 1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.157 4.400 -0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.817 4.273 0.073 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.333 5.695 -0.881 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.438 5.948 0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.368 7.350 0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.027 6.998 1.754 1.00 0.00 H new ATOM 662 N ARG A 39 -1.785 8.725 0.820 1.00 0.00 N ATOM 663 CA ARG A 39 -2.257 9.891 0.065 1.00 0.00 C ATOM 664 C ARG A 39 -1.065 10.699 -0.474 1.00 0.00 C ATOM 665 O ARG A 39 0.043 10.611 0.059 1.00 0.00 O ATOM 666 CB ARG A 39 -3.149 10.769 0.971 1.00 0.00 C ATOM 667 CG ARG A 39 -4.347 10.009 1.571 1.00 0.00 C ATOM 668 CD ARG A 39 -5.292 10.936 2.343 1.00 0.00 C ATOM 669 NE ARG A 39 -6.359 10.166 3.011 1.00 0.00 N ATOM 670 CZ ARG A 39 -7.591 10.578 3.290 1.00 0.00 C ATOM 671 NH1 ARG A 39 -8.021 11.785 2.984 1.00 0.00 N ATOM 672 NH2 ARG A 39 -8.418 9.757 3.896 1.00 0.00 N ATOM 0 H ARG A 39 -0.966 8.940 1.389 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.847 9.552 -0.787 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.543 11.175 1.781 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.518 11.616 0.393 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.899 9.514 0.772 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.982 9.227 2.238 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.727 11.501 3.085 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.735 11.661 1.660 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.125 9.213 3.289 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.400 12.444 2.515 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -8.975 12.061 3.217 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.111 8.817 4.146 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.367 10.060 4.117 1.00 0.00 H new ATOM 686 N VAL A 40 -1.289 11.496 -1.520 1.00 0.00 N ATOM 687 CA VAL A 40 -0.279 12.343 -2.186 1.00 0.00 C ATOM 688 C VAL A 40 -0.930 13.680 -2.561 1.00 0.00 C ATOM 689 O VAL A 40 -2.058 13.701 -3.053 1.00 0.00 O ATOM 690 CB VAL A 40 0.318 11.656 -3.444 1.00 0.00 C ATOM 691 CG1 VAL A 40 1.421 12.513 -4.086 1.00 0.00 C ATOM 692 CG2 VAL A 40 0.923 10.273 -3.138 1.00 0.00 C ATOM 0 H VAL A 40 -2.211 11.578 -1.948 1.00 0.00 H new ATOM 0 HA VAL A 40 0.548 12.508 -1.496 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.522 11.538 -4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.815 12.001 -4.963 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.006 13.476 -4.384 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.224 12.671 -3.366 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.325 9.841 -4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.723 10.380 -2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.149 9.618 -2.737 1.00 0.00 H new ATOM 702 N GLU A 41 -0.233 14.790 -2.304 1.00 0.00 N ATOM 703 CA GLU A 41 -0.721 16.149 -2.569 1.00 0.00 C ATOM 704 C GLU A 41 -1.029 16.360 -4.065 1.00 0.00 C ATOM 705 O GLU A 41 -0.207 16.053 -4.932 1.00 0.00 O ATOM 706 CB GLU A 41 0.306 17.171 -2.052 1.00 0.00 C ATOM 707 CG GLU A 41 -0.212 18.613 -2.125 1.00 0.00 C ATOM 708 CD GLU A 41 0.791 19.593 -1.497 1.00 0.00 C ATOM 709 OE1 GLU A 41 0.700 19.858 -0.274 1.00 0.00 O ATOM 710 OE2 GLU A 41 1.671 20.115 -2.223 1.00 0.00 O ATOM 0 H GLU A 41 0.703 14.771 -1.899 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.661 16.295 -2.036 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.563 16.933 -1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.222 17.088 -2.636 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.390 18.887 -3.165 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.169 18.686 -1.608 1.00 0.00 H new ATOM 717 N GLY A 42 -2.224 16.883 -4.364 1.00 0.00 N ATOM 718 CA GLY A 42 -2.721 17.106 -5.732 1.00 0.00 C ATOM 719 C GLY A 42 -3.573 15.961 -6.297 1.00 0.00 C ATOM 720 O GLY A 42 -4.037 16.069 -7.434 1.00 0.00 O ATOM 0 H GLY A 42 -2.890 17.170 -3.647 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.312 18.022 -5.745 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.869 17.267 -6.392 1.00 0.00 H new ATOM 724 N PHE A 43 -3.812 14.897 -5.519 1.00 0.00 N ATOM 725 CA PHE A 43 -4.645 13.746 -5.889 1.00 0.00 C ATOM 726 C PHE A 43 -5.762 13.540 -4.854 1.00 0.00 C ATOM 727 O PHE A 43 -5.506 13.477 -3.649 1.00 0.00 O ATOM 728 CB PHE A 43 -3.760 12.494 -6.026 1.00 0.00 C ATOM 729 CG PHE A 43 -2.669 12.617 -7.075 1.00 0.00 C ATOM 730 CD1 PHE A 43 -2.923 12.270 -8.416 1.00 0.00 C ATOM 731 CD2 PHE A 43 -1.404 13.120 -6.716 1.00 0.00 C ATOM 732 CE1 PHE A 43 -1.919 12.423 -9.388 1.00 0.00 C ATOM 733 CE2 PHE A 43 -0.405 13.282 -7.690 1.00 0.00 C ATOM 734 CZ PHE A 43 -0.660 12.931 -9.027 1.00 0.00 C ATOM 0 H PHE A 43 -3.417 14.811 -4.583 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.123 13.934 -6.851 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.299 12.281 -5.061 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.392 11.641 -6.273 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.892 11.885 -8.698 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.201 13.382 -5.688 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.116 12.150 -10.414 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.561 13.677 -7.411 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.110 13.052 -9.775 1.00 0.00 H new ATOM 744 N ASN A 44 -7.009 13.441 -5.325 1.00 0.00 N ATOM 745 CA ASN A 44 -8.201 13.324 -4.471 1.00 0.00 C ATOM 746 C ASN A 44 -8.394 11.913 -3.869 1.00 0.00 C ATOM 747 O ASN A 44 -9.042 11.759 -2.831 1.00 0.00 O ATOM 748 CB ASN A 44 -9.420 13.757 -5.304 1.00 0.00 C ATOM 749 CG ASN A 44 -10.714 13.783 -4.493 1.00 0.00 C ATOM 750 OD1 ASN A 44 -11.541 12.883 -4.577 1.00 0.00 O ATOM 751 ND2 ASN A 44 -10.928 14.813 -3.691 1.00 0.00 N ATOM 0 H ASN A 44 -7.224 13.440 -6.322 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.075 13.975 -3.606 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -9.237 14.748 -5.719 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.539 13.076 -6.147 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -11.784 14.860 -3.139 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -10.236 15.560 -3.624 1.00 0.00 H new ATOM 758 N TYR A 45 -7.816 10.883 -4.496 1.00 0.00 N ATOM 759 CA TYR A 45 -7.890 9.487 -4.048 1.00 0.00 C ATOM 760 C TYR A 45 -7.050 9.207 -2.784 1.00 0.00 C ATOM 761 O TYR A 45 -6.060 9.891 -2.506 1.00 0.00 O ATOM 762 CB TYR A 45 -7.471 8.574 -5.212 1.00 0.00 C ATOM 763 CG TYR A 45 -7.728 7.098 -4.969 1.00 0.00 C ATOM 764 CD1 TYR A 45 -9.049 6.610 -4.994 1.00 0.00 C ATOM 765 CD2 TYR A 45 -6.664 6.219 -4.684 1.00 0.00 C ATOM 766 CE1 TYR A 45 -9.309 5.255 -4.720 1.00 0.00 C ATOM 767 CE2 TYR A 45 -6.917 4.861 -4.409 1.00 0.00 C ATOM 768 CZ TYR A 45 -8.245 4.376 -4.412 1.00 0.00 C ATOM 769 OH TYR A 45 -8.517 3.075 -4.118 1.00 0.00 O ATOM 0 H TYR A 45 -7.270 10.999 -5.350 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.920 9.278 -3.759 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -8.006 8.881 -6.111 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.409 8.719 -5.408 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.865 7.279 -5.224 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.649 6.589 -4.676 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.323 4.885 -4.745 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.097 4.191 -4.196 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.779 2.696 -3.597 1.00 0.00 H new ATOM 779 N ALA A 46 -7.426 8.163 -2.040 1.00 0.00 N ATOM 780 CA ALA A 46 -6.671 7.609 -0.917 1.00 0.00 C ATOM 781 C ALA A 46 -6.593 6.081 -1.064 1.00 0.00 C ATOM 782 O ALA A 46 -7.623 5.402 -1.062 1.00 0.00 O ATOM 783 CB ALA A 46 -7.354 8.038 0.389 1.00 0.00 C ATOM 0 H ALA A 46 -8.298 7.663 -2.211 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.648 7.986 -0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.803 7.633 1.238 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.368 9.126 0.452 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.376 7.660 0.406 1.00 0.00 H new ATOM 789 N GLY A 47 -5.374 5.550 -1.204 1.00 0.00 N ATOM 790 CA GLY A 47 -5.117 4.113 -1.348 1.00 0.00 C ATOM 791 C GLY A 47 -5.101 3.438 0.014 1.00 0.00 C ATOM 792 O GLY A 47 -4.598 4.025 0.974 1.00 0.00 O ATOM 0 H GLY A 47 -4.525 6.115 -1.221 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.885 3.661 -1.976 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.162 3.956 -1.850 1.00 0.00 H new ATOM 796 N MET A 48 -5.647 2.223 0.105 1.00 0.00 N ATOM 797 CA MET A 48 -5.918 1.550 1.384 1.00 0.00 C ATOM 798 C MET A 48 -5.514 0.071 1.392 1.00 0.00 C ATOM 799 O MET A 48 -5.643 -0.631 0.388 1.00 0.00 O ATOM 800 CB MET A 48 -7.405 1.696 1.752 1.00 0.00 C ATOM 801 CG MET A 48 -7.866 3.159 1.765 1.00 0.00 C ATOM 802 SD MET A 48 -9.481 3.436 2.531 1.00 0.00 S ATOM 803 CE MET A 48 -9.596 5.220 2.249 1.00 0.00 C ATOM 0 H MET A 48 -5.916 1.672 -0.710 1.00 0.00 H new ATOM 0 HA MET A 48 -5.298 2.043 2.132 1.00 0.00 H new ATOM 0 HB2 MET A 48 -8.009 1.134 1.039 1.00 0.00 H new ATOM 0 HB3 MET A 48 -7.578 1.255 2.734 1.00 0.00 H new ATOM 0 HG2 MET A 48 -7.122 3.756 2.293 1.00 0.00 H new ATOM 0 HG3 MET A 48 -7.898 3.525 0.739 1.00 0.00 H new ATOM 0 HE1 MET A 48 -10.537 5.593 2.655 1.00 0.00 H new ATOM 0 HE2 MET A 48 -8.764 5.721 2.743 1.00 0.00 H new ATOM 0 HE3 MET A 48 -9.557 5.422 1.179 1.00 0.00 H new ATOM 813 N GLY A 49 -5.023 -0.394 2.545 1.00 0.00 N ATOM 814 CA GLY A 49 -4.579 -1.770 2.797 1.00 0.00 C ATOM 815 C GLY A 49 -4.784 -2.221 4.241 1.00 0.00 C ATOM 816 O GLY A 49 -5.140 -1.425 5.109 1.00 0.00 O ATOM 0 H GLY A 49 -4.919 0.204 3.365 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.120 -2.445 2.134 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.522 -1.854 2.545 1.00 0.00 H new ATOM 820 N ASN A 50 -4.537 -3.505 4.507 1.00 0.00 N ATOM 821 CA ASN A 50 -4.593 -4.110 5.842 1.00 0.00 C ATOM 822 C ASN A 50 -3.778 -5.409 5.901 1.00 0.00 C ATOM 823 O ASN A 50 -3.681 -6.140 4.915 1.00 0.00 O ATOM 824 CB ASN A 50 -6.058 -4.331 6.250 1.00 0.00 C ATOM 825 CG ASN A 50 -6.240 -5.241 7.462 1.00 0.00 C ATOM 826 OD1 ASN A 50 -6.047 -4.845 8.602 1.00 0.00 O ATOM 827 ND2 ASN A 50 -6.602 -6.491 7.239 1.00 0.00 N ATOM 0 H ASN A 50 -4.285 -4.173 3.779 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.139 -3.426 6.559 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.514 -3.364 6.464 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.598 -4.758 5.405 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.723 -7.134 8.021 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.761 -6.813 6.284 1.00 0.00 H new ATOM 834 N SER A 51 -3.221 -5.701 7.073 1.00 0.00 N ATOM 835 CA SER A 51 -2.417 -6.905 7.343 1.00 0.00 C ATOM 836 C SER A 51 -2.149 -7.122 8.846 1.00 0.00 C ATOM 837 O SER A 51 -2.549 -6.314 9.685 1.00 0.00 O ATOM 838 CB SER A 51 -1.090 -6.840 6.566 1.00 0.00 C ATOM 839 OG SER A 51 -0.504 -8.127 6.491 1.00 0.00 O ATOM 0 H SER A 51 -3.315 -5.095 7.888 1.00 0.00 H new ATOM 0 HA SER A 51 -3.000 -7.761 7.002 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.266 -6.454 5.562 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.406 -6.149 7.058 1.00 0.00 H new ATOM 0 HG SER A 51 0.132 -8.154 5.746 1.00 0.00 H new ATOM 845 N THR A 52 -1.444 -8.207 9.192 1.00 0.00 N ATOM 846 CA THR A 52 -1.016 -8.557 10.560 1.00 0.00 C ATOM 847 C THR A 52 0.216 -7.759 11.011 1.00 0.00 C ATOM 848 O THR A 52 0.560 -7.772 12.190 1.00 0.00 O ATOM 849 CB THR A 52 -0.807 -10.079 10.663 1.00 0.00 C ATOM 850 OG1 THR A 52 -1.913 -10.732 10.068 1.00 0.00 O ATOM 851 CG2 THR A 52 -0.728 -10.595 12.103 1.00 0.00 C ATOM 0 H THR A 52 -1.142 -8.895 8.502 1.00 0.00 H new ATOM 0 HA THR A 52 -1.808 -8.274 11.253 1.00 0.00 H new ATOM 0 HB THR A 52 0.141 -10.287 10.167 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.790 -11.703 10.126 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.580 -11.675 12.095 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.108 -10.118 12.615 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.655 -10.360 12.625 1.00 0.00 H new ATOM 859 N ASN A 53 0.849 -7.008 10.103 1.00 0.00 N ATOM 860 CA ASN A 53 1.975 -6.112 10.388 1.00 0.00 C ATOM 861 C ASN A 53 1.907 -4.811 9.566 1.00 0.00 C ATOM 862 O ASN A 53 1.335 -4.766 8.473 1.00 0.00 O ATOM 863 CB ASN A 53 3.307 -6.859 10.192 1.00 0.00 C ATOM 864 CG ASN A 53 3.648 -7.095 8.725 1.00 0.00 C ATOM 865 OD1 ASN A 53 4.122 -6.201 8.035 1.00 0.00 O ATOM 866 ND2 ASN A 53 3.418 -8.287 8.206 1.00 0.00 N ATOM 0 H ASN A 53 0.583 -7.007 9.118 1.00 0.00 H new ATOM 0 HA ASN A 53 1.910 -5.805 11.432 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.110 -6.288 10.658 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.258 -7.819 10.707 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.635 -8.467 7.226 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.023 -9.028 8.785 1.00 0.00 H new ATOM 873 N LYS A 54 2.508 -3.739 10.092 1.00 0.00 N ATOM 874 CA LYS A 54 2.414 -2.387 9.523 1.00 0.00 C ATOM 875 C LYS A 54 3.102 -2.230 8.154 1.00 0.00 C ATOM 876 O LYS A 54 2.653 -1.425 7.338 1.00 0.00 O ATOM 877 CB LYS A 54 2.990 -1.381 10.536 1.00 0.00 C ATOM 878 CG LYS A 54 2.147 -1.277 11.819 1.00 0.00 C ATOM 879 CD LYS A 54 2.682 -0.153 12.721 1.00 0.00 C ATOM 880 CE LYS A 54 1.911 -0.037 14.044 1.00 0.00 C ATOM 881 NZ LYS A 54 2.229 -1.145 14.984 1.00 0.00 N ATOM 0 H LYS A 54 3.081 -3.784 10.935 1.00 0.00 H new ATOM 0 HA LYS A 54 1.358 -2.191 9.337 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.006 -1.677 10.797 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.055 -0.398 10.069 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.106 -1.082 11.563 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.171 -2.225 12.356 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.736 -0.334 12.934 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.623 0.795 12.187 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.147 0.916 14.517 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.841 -0.034 13.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.389 -1.744 15.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.006 -1.717 14.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.515 -0.750 15.903 1.00 0.00 H new ATOM 895 N LYS A 55 4.166 -2.985 7.870 1.00 0.00 N ATOM 896 CA LYS A 55 4.904 -2.901 6.596 1.00 0.00 C ATOM 897 C LYS A 55 4.127 -3.520 5.425 1.00 0.00 C ATOM 898 O LYS A 55 4.045 -2.926 4.350 1.00 0.00 O ATOM 899 CB LYS A 55 6.281 -3.565 6.751 1.00 0.00 C ATOM 900 CG LYS A 55 7.215 -2.759 7.667 1.00 0.00 C ATOM 901 CD LYS A 55 8.595 -3.422 7.756 1.00 0.00 C ATOM 902 CE LYS A 55 9.520 -2.594 8.657 1.00 0.00 C ATOM 903 NZ LYS A 55 10.872 -3.200 8.755 1.00 0.00 N ATOM 0 H LYS A 55 4.546 -3.676 8.517 1.00 0.00 H new ATOM 0 HA LYS A 55 5.034 -1.846 6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.155 -4.569 7.157 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.743 -3.674 5.770 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.318 -1.743 7.285 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.778 -2.683 8.663 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.497 -4.432 8.153 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.029 -3.512 6.760 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.602 -1.581 8.263 1.00 0.00 H new ATOM 0 HE3 LYS A 55 9.083 -2.514 9.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.471 -2.615 9.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.795 -4.157 9.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.298 -3.253 7.808 1.00 0.00 H new ATOM 917 N ASP A 56 3.488 -4.669 5.638 1.00 0.00 N ATOM 918 CA ASP A 56 2.636 -5.315 4.636 1.00 0.00 C ATOM 919 C ASP A 56 1.291 -4.584 4.470 1.00 0.00 C ATOM 920 O ASP A 56 0.753 -4.524 3.367 1.00 0.00 O ATOM 921 CB ASP A 56 2.448 -6.787 5.016 1.00 0.00 C ATOM 922 CG ASP A 56 1.780 -7.596 3.893 1.00 0.00 C ATOM 923 OD1 ASP A 56 2.431 -7.821 2.847 1.00 0.00 O ATOM 924 OD2 ASP A 56 0.620 -8.028 4.079 1.00 0.00 O ATOM 0 H ASP A 56 3.546 -5.183 6.517 1.00 0.00 H new ATOM 0 HA ASP A 56 3.125 -5.261 3.664 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.417 -7.226 5.251 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.841 -6.853 5.919 1.00 0.00 H new ATOM 929 N ALA A 57 0.791 -3.935 5.530 1.00 0.00 N ATOM 930 CA ALA A 57 -0.375 -3.048 5.445 1.00 0.00 C ATOM 931 C ALA A 57 -0.082 -1.802 4.584 1.00 0.00 C ATOM 932 O ALA A 57 -0.875 -1.463 3.704 1.00 0.00 O ATOM 933 CB ALA A 57 -0.828 -2.681 6.865 1.00 0.00 C ATOM 0 H ALA A 57 1.183 -4.010 6.469 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.189 -3.571 4.943 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.694 -2.022 6.812 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.095 -3.588 7.408 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.017 -2.172 7.386 1.00 0.00 H new ATOM 939 N GLN A 58 1.082 -1.171 4.782 1.00 0.00 N ATOM 940 CA GLN A 58 1.578 -0.085 3.929 1.00 0.00 C ATOM 941 C GLN A 58 1.838 -0.548 2.494 1.00 0.00 C ATOM 942 O GLN A 58 1.543 0.190 1.561 1.00 0.00 O ATOM 943 CB GLN A 58 2.885 0.483 4.497 1.00 0.00 C ATOM 944 CG GLN A 58 2.671 1.399 5.707 1.00 0.00 C ATOM 945 CD GLN A 58 4.007 1.756 6.348 1.00 0.00 C ATOM 946 OE1 GLN A 58 4.754 2.594 5.860 1.00 0.00 O ATOM 947 NE2 GLN A 58 4.374 1.114 7.435 1.00 0.00 N ATOM 0 H GLN A 58 1.713 -1.404 5.549 1.00 0.00 H new ATOM 0 HA GLN A 58 0.801 0.679 3.913 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.537 -0.342 4.785 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.402 1.040 3.715 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.156 2.308 5.396 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.031 0.904 6.437 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.757 0.414 7.847 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.276 1.315 7.866 1.00 0.00 H new ATOM 956 N SER A 59 2.353 -1.765 2.295 1.00 0.00 N ATOM 957 CA SER A 59 2.565 -2.319 0.950 1.00 0.00 C ATOM 958 C SER A 59 1.239 -2.491 0.195 1.00 0.00 C ATOM 959 O SER A 59 1.152 -2.171 -0.990 1.00 0.00 O ATOM 960 CB SER A 59 3.305 -3.662 1.014 1.00 0.00 C ATOM 961 OG SER A 59 4.601 -3.527 1.582 1.00 0.00 O ATOM 0 H SER A 59 2.633 -2.390 3.051 1.00 0.00 H new ATOM 0 HA SER A 59 3.181 -1.604 0.405 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.722 -4.370 1.604 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.390 -4.078 0.010 1.00 0.00 H new ATOM 0 HG SER A 59 4.520 -3.333 2.539 1.00 0.00 H new ATOM 967 N ASN A 60 0.172 -2.913 0.883 1.00 0.00 N ATOM 968 CA ASN A 60 -1.167 -2.999 0.293 1.00 0.00 C ATOM 969 C ASN A 60 -1.756 -1.605 0.006 1.00 0.00 C ATOM 970 O ASN A 60 -2.310 -1.392 -1.073 1.00 0.00 O ATOM 971 CB ASN A 60 -2.090 -3.838 1.190 1.00 0.00 C ATOM 972 CG ASN A 60 -1.904 -5.337 0.967 1.00 0.00 C ATOM 973 OD1 ASN A 60 -2.478 -5.919 0.054 1.00 0.00 O ATOM 974 ND2 ASN A 60 -1.119 -6.004 1.790 1.00 0.00 N ATOM 0 H ASN A 60 0.213 -3.203 1.860 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.083 -3.502 -0.670 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.892 -3.601 2.235 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.128 -3.569 0.993 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.988 -7.008 1.668 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.643 -5.516 2.549 1.00 0.00 H new ATOM 981 N ALA A 61 -1.582 -0.632 0.914 1.00 0.00 N ATOM 982 CA ALA A 61 -2.026 0.751 0.706 1.00 0.00 C ATOM 983 C ALA A 61 -1.310 1.415 -0.483 1.00 0.00 C ATOM 984 O ALA A 61 -1.961 2.033 -1.327 1.00 0.00 O ATOM 985 CB ALA A 61 -1.821 1.538 2.008 1.00 0.00 C ATOM 0 H ALA A 61 -1.128 -0.785 1.815 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.086 0.749 0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.148 2.568 1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.405 1.079 2.806 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.765 1.526 2.278 1.00 0.00 H new ATOM 991 N ALA A 62 0.007 1.224 -0.595 1.00 0.00 N ATOM 992 CA ALA A 62 0.812 1.687 -1.721 1.00 0.00 C ATOM 993 C ALA A 62 0.378 1.023 -3.032 1.00 0.00 C ATOM 994 O ALA A 62 0.104 1.725 -4.007 1.00 0.00 O ATOM 995 CB ALA A 62 2.290 1.433 -1.398 1.00 0.00 C ATOM 0 H ALA A 62 0.553 0.732 0.112 1.00 0.00 H new ATOM 0 HA ALA A 62 0.662 2.756 -1.869 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.908 1.773 -2.229 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.564 1.979 -0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.450 0.366 -1.240 1.00 0.00 H new ATOM 1001 N ARG A 63 0.232 -0.311 -3.049 1.00 0.00 N ATOM 1002 CA ARG A 63 -0.207 -1.048 -4.238 1.00 0.00 C ATOM 1003 C ARG A 63 -1.575 -0.583 -4.741 1.00 0.00 C ATOM 1004 O ARG A 63 -1.762 -0.484 -5.952 1.00 0.00 O ATOM 1005 CB ARG A 63 -0.205 -2.565 -3.959 1.00 0.00 C ATOM 1006 CG ARG A 63 -0.462 -3.425 -5.209 1.00 0.00 C ATOM 1007 CD ARG A 63 0.612 -3.264 -6.298 1.00 0.00 C ATOM 1008 NE ARG A 63 0.210 -3.910 -7.558 1.00 0.00 N ATOM 1009 CZ ARG A 63 -0.555 -3.380 -8.508 1.00 0.00 C ATOM 1010 NH1 ARG A 63 -1.142 -2.206 -8.376 1.00 0.00 N ATOM 1011 NH2 ARG A 63 -0.741 -4.042 -9.629 1.00 0.00 N ATOM 0 H ARG A 63 0.415 -0.905 -2.240 1.00 0.00 H new ATOM 0 HA ARG A 63 0.506 -0.835 -5.035 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.756 -2.845 -3.528 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.967 -2.789 -3.212 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.515 -4.473 -4.914 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.434 -3.162 -5.627 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.795 -2.204 -6.475 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.550 -3.696 -5.951 1.00 0.00 H new ATOM 0 HE ARG A 63 0.552 -4.858 -7.718 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.017 -1.667 -7.519 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.721 -1.837 -9.131 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.301 -4.952 -9.763 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -1.326 -3.645 -10.365 1.00 0.00 H new ATOM 1025 N ASP A 64 -2.491 -0.246 -3.833 1.00 0.00 N ATOM 1026 CA ASP A 64 -3.826 0.270 -4.140 1.00 0.00 C ATOM 1027 C ASP A 64 -3.802 1.723 -4.655 1.00 0.00 C ATOM 1028 O ASP A 64 -4.532 2.043 -5.593 1.00 0.00 O ATOM 1029 CB ASP A 64 -4.696 0.119 -2.886 1.00 0.00 C ATOM 1030 CG ASP A 64 -6.168 0.446 -3.156 1.00 0.00 C ATOM 1031 OD1 ASP A 64 -6.816 -0.294 -3.933 1.00 0.00 O ATOM 1032 OD2 ASP A 64 -6.666 1.436 -2.575 1.00 0.00 O ATOM 0 H ASP A 64 -2.319 -0.327 -2.831 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.251 -0.310 -4.959 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.616 -0.902 -2.512 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.318 0.776 -2.103 1.00 0.00 H new ATOM 1037 N PHE A 65 -2.915 2.582 -4.132 1.00 0.00 N ATOM 1038 CA PHE A 65 -2.714 3.935 -4.670 1.00 0.00 C ATOM 1039 C PHE A 65 -2.029 3.907 -6.043 1.00 0.00 C ATOM 1040 O PHE A 65 -2.432 4.635 -6.946 1.00 0.00 O ATOM 1041 CB PHE A 65 -1.925 4.800 -3.679 1.00 0.00 C ATOM 1042 CG PHE A 65 -1.953 6.277 -4.032 1.00 0.00 C ATOM 1043 CD1 PHE A 65 -3.043 7.075 -3.634 1.00 0.00 C ATOM 1044 CD2 PHE A 65 -0.920 6.852 -4.794 1.00 0.00 C ATOM 1045 CE1 PHE A 65 -3.106 8.431 -4.001 1.00 0.00 C ATOM 1046 CE2 PHE A 65 -0.977 8.211 -5.151 1.00 0.00 C ATOM 1047 CZ PHE A 65 -2.074 8.999 -4.764 1.00 0.00 C ATOM 0 H PHE A 65 -2.322 2.361 -3.332 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.698 4.383 -4.810 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.335 4.663 -2.678 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.890 4.458 -3.649 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.836 6.642 -3.043 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.081 6.248 -5.106 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.948 9.035 -3.696 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -0.175 8.651 -5.725 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.123 10.039 -5.053 1.00 0.00 H new ATOM 1057 N VAL A 66 -1.046 3.026 -6.240 1.00 0.00 N ATOM 1058 CA VAL A 66 -0.392 2.818 -7.548 1.00 0.00 C ATOM 1059 C VAL A 66 -1.388 2.279 -8.579 1.00 0.00 C ATOM 1060 O VAL A 66 -1.371 2.702 -9.734 1.00 0.00 O ATOM 1061 CB VAL A 66 0.833 1.887 -7.424 1.00 0.00 C ATOM 1062 CG1 VAL A 66 1.443 1.505 -8.780 1.00 0.00 C ATOM 1063 CG2 VAL A 66 1.912 2.589 -6.593 1.00 0.00 C ATOM 0 H VAL A 66 -0.675 2.431 -5.499 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.035 3.787 -7.896 1.00 0.00 H new ATOM 0 HB VAL A 66 0.485 0.970 -6.948 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.300 0.850 -8.622 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.696 0.987 -9.382 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.767 2.406 -9.300 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.781 1.938 -6.501 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.204 3.517 -7.085 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.519 2.813 -5.601 1.00 0.00 H new ATOM 1073 N ASN A 67 -2.318 1.422 -8.154 1.00 0.00 N ATOM 1074 CA ASN A 67 -3.424 0.953 -8.997 1.00 0.00 C ATOM 1075 C ASN A 67 -4.304 2.130 -9.477 1.00 0.00 C ATOM 1076 O ASN A 67 -4.631 2.203 -10.660 1.00 0.00 O ATOM 1077 CB ASN A 67 -4.183 -0.167 -8.255 1.00 0.00 C ATOM 1078 CG ASN A 67 -5.696 -0.052 -8.333 1.00 0.00 C ATOM 1079 OD1 ASN A 67 -6.342 -0.587 -9.224 1.00 0.00 O ATOM 1080 ND2 ASN A 67 -6.288 0.672 -7.406 1.00 0.00 N ATOM 0 H ASN A 67 -2.327 1.031 -7.212 1.00 0.00 H new ATOM 0 HA ASN A 67 -3.043 0.513 -9.919 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -3.881 -1.130 -8.668 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -3.883 -0.161 -7.207 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -7.301 0.794 -7.423 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.734 1.111 -6.671 1.00 0.00 H new ATOM 1087 N TYR A 68 -4.588 3.116 -8.620 1.00 0.00 N ATOM 1088 CA TYR A 68 -5.249 4.364 -9.027 1.00 0.00 C ATOM 1089 C TYR A 68 -4.383 5.190 -9.998 1.00 0.00 C ATOM 1090 O TYR A 68 -4.884 5.612 -11.041 1.00 0.00 O ATOM 1091 CB TYR A 68 -5.660 5.161 -7.779 1.00 0.00 C ATOM 1092 CG TYR A 68 -5.963 6.623 -8.044 1.00 0.00 C ATOM 1093 CD1 TYR A 68 -7.206 7.002 -8.586 1.00 0.00 C ATOM 1094 CD2 TYR A 68 -4.983 7.600 -7.780 1.00 0.00 C ATOM 1095 CE1 TYR A 68 -7.477 8.358 -8.849 1.00 0.00 C ATOM 1096 CE2 TYR A 68 -5.247 8.958 -8.044 1.00 0.00 C ATOM 1097 CZ TYR A 68 -6.502 9.341 -8.572 1.00 0.00 C ATOM 1098 OH TYR A 68 -6.782 10.654 -8.805 1.00 0.00 O ATOM 0 H TYR A 68 -4.367 3.073 -7.625 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.152 4.115 -9.584 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.540 4.694 -7.338 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.861 5.096 -7.041 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.952 6.251 -8.800 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.026 7.307 -7.374 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.432 8.647 -9.263 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.493 9.705 -7.844 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.007 11.202 -8.561 1.00 0.00 H new ATOM 1108 N LEU A 69 -3.077 5.340 -9.733 1.00 0.00 N ATOM 1109 CA LEU A 69 -2.146 6.060 -10.619 1.00 0.00 C ATOM 1110 C LEU A 69 -2.040 5.433 -12.021 1.00 0.00 C ATOM 1111 O LEU A 69 -1.940 6.165 -13.003 1.00 0.00 O ATOM 1112 CB LEU A 69 -0.756 6.163 -9.975 1.00 0.00 C ATOM 1113 CG LEU A 69 -0.640 7.019 -8.699 1.00 0.00 C ATOM 1114 CD1 LEU A 69 0.794 6.883 -8.165 1.00 0.00 C ATOM 1115 CD2 LEU A 69 -0.984 8.492 -8.964 1.00 0.00 C ATOM 0 H LEU A 69 -2.633 4.964 -8.895 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.559 7.060 -10.752 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.416 5.155 -9.739 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.067 6.566 -10.718 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.358 6.662 -7.960 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.903 7.481 -7.260 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.000 5.837 -7.936 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.498 7.235 -8.919 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.890 9.060 -8.038 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.300 8.897 -9.710 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.007 8.566 -9.332 1.00 0.00 H new ATOM 1127 N VAL A 70 -2.125 4.106 -12.134 1.00 0.00 N ATOM 1128 CA VAL A 70 -2.213 3.398 -13.429 1.00 0.00 C ATOM 1129 C VAL A 70 -3.543 3.692 -14.133 1.00 0.00 C ATOM 1130 O VAL A 70 -3.551 3.982 -15.328 1.00 0.00 O ATOM 1131 CB VAL A 70 -2.022 1.870 -13.270 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -2.303 1.089 -14.565 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -0.591 1.545 -12.823 1.00 0.00 C ATOM 0 H VAL A 70 -2.135 3.481 -11.328 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.398 3.775 -14.047 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.746 1.561 -12.516 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.152 0.024 -14.388 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.333 1.262 -14.878 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.624 1.427 -15.348 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.479 0.466 -12.717 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.115 1.912 -13.568 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.391 2.026 -11.865 1.00 0.00 H new ATOM 1143 N ARG A 71 -4.659 3.675 -13.391 1.00 0.00 N ATOM 1144 CA ARG A 71 -6.002 3.954 -13.933 1.00 0.00 C ATOM 1145 C ARG A 71 -6.174 5.397 -14.437 1.00 0.00 C ATOM 1146 O ARG A 71 -6.979 5.631 -15.342 1.00 0.00 O ATOM 1147 CB ARG A 71 -7.084 3.610 -12.896 1.00 0.00 C ATOM 1148 CG ARG A 71 -7.237 2.092 -12.711 1.00 0.00 C ATOM 1149 CD ARG A 71 -8.176 1.779 -11.541 1.00 0.00 C ATOM 1150 NE ARG A 71 -8.169 0.342 -11.222 1.00 0.00 N ATOM 1151 CZ ARG A 71 -8.906 -0.619 -11.762 1.00 0.00 C ATOM 1152 NH1 ARG A 71 -9.790 -0.387 -12.710 1.00 0.00 N ATOM 1153 NH2 ARG A 71 -8.746 -1.853 -11.337 1.00 0.00 N ATOM 0 H ARG A 71 -4.659 3.467 -12.393 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.118 3.312 -14.806 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.830 4.069 -11.940 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.037 4.035 -13.211 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.628 1.647 -13.626 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.261 1.643 -12.530 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.871 2.350 -10.664 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.189 2.094 -11.790 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.516 0.049 -10.495 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -9.929 0.562 -13.057 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.336 -1.156 -13.098 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.065 -2.056 -10.605 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -9.303 -2.607 -11.739 1.00 0.00 H new ATOM 1167 N ILE A 72 -5.388 6.354 -13.926 1.00 0.00 N ATOM 1168 CA ILE A 72 -5.312 7.741 -14.444 1.00 0.00 C ATOM 1169 C ILE A 72 -4.113 7.985 -15.385 1.00 0.00 C ATOM 1170 O ILE A 72 -3.885 9.120 -15.798 1.00 0.00 O ATOM 1171 CB ILE A 72 -5.399 8.785 -13.302 1.00 0.00 C ATOM 1172 CG1 ILE A 72 -4.173 8.763 -12.368 1.00 0.00 C ATOM 1173 CG2 ILE A 72 -6.705 8.594 -12.507 1.00 0.00 C ATOM 1174 CD1 ILE A 72 -4.013 10.038 -11.535 1.00 0.00 C ATOM 0 H ILE A 72 -4.774 6.191 -13.128 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.193 7.878 -15.071 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.404 9.770 -13.769 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.254 7.908 -11.696 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.274 8.615 -12.966 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.755 9.333 -11.707 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.558 8.721 -13.173 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.726 7.592 -12.078 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.130 9.951 -10.902 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.900 10.895 -12.199 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.895 10.177 -10.910 1.00 0.00 H new ATOM 1186 N ASN A 73 -3.348 6.940 -15.729 1.00 0.00 N ATOM 1187 CA ASN A 73 -2.241 6.936 -16.702 1.00 0.00 C ATOM 1188 C ASN A 73 -0.966 7.680 -16.231 1.00 0.00 C ATOM 1189 O ASN A 73 -0.090 7.992 -17.041 1.00 0.00 O ATOM 1190 CB ASN A 73 -2.720 7.395 -18.095 1.00 0.00 C ATOM 1191 CG ASN A 73 -3.956 6.639 -18.575 1.00 0.00 C ATOM 1192 OD1 ASN A 73 -3.916 5.442 -18.835 1.00 0.00 O ATOM 1193 ND2 ASN A 73 -5.087 7.311 -18.709 1.00 0.00 N ATOM 0 H ASN A 73 -3.492 6.020 -15.313 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.923 5.897 -16.784 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.941 8.462 -18.065 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.913 7.257 -18.815 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -5.929 6.833 -19.030 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.117 8.307 -18.492 1.00 0.00 H new ATOM 1200 N GLU A 74 -0.831 7.936 -14.924 1.00 0.00 N ATOM 1201 CA GLU A 74 0.328 8.604 -14.304 1.00 0.00 C ATOM 1202 C GLU A 74 1.440 7.621 -13.861 1.00 0.00 C ATOM 1203 O GLU A 74 2.524 8.048 -13.454 1.00 0.00 O ATOM 1204 CB GLU A 74 -0.150 9.477 -13.132 1.00 0.00 C ATOM 1205 CG GLU A 74 -1.019 10.669 -13.565 1.00 0.00 C ATOM 1206 CD GLU A 74 -0.279 11.631 -14.510 1.00 0.00 C ATOM 1207 OE1 GLU A 74 0.805 12.132 -14.130 1.00 0.00 O ATOM 1208 OE2 GLU A 74 -0.779 11.902 -15.626 1.00 0.00 O ATOM 0 H GLU A 74 -1.546 7.677 -14.244 1.00 0.00 H new ATOM 0 HA GLU A 74 0.788 9.234 -15.065 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.718 8.858 -12.437 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.719 9.850 -12.590 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.916 10.298 -14.060 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.346 11.215 -12.680 1.00 0.00 H new ATOM 1215 N VAL A 75 1.193 6.313 -13.985 1.00 0.00 N ATOM 1216 CA VAL A 75 2.159 5.207 -13.846 1.00 0.00 C ATOM 1217 C VAL A 75 1.882 4.197 -14.969 1.00 0.00 C ATOM 1218 O VAL A 75 0.722 3.911 -15.263 1.00 0.00 O ATOM 1219 CB VAL A 75 2.040 4.503 -12.468 1.00 0.00 C ATOM 1220 CG1 VAL A 75 2.977 3.290 -12.357 1.00 0.00 C ATOM 1221 CG2 VAL A 75 2.419 5.408 -11.290 1.00 0.00 C ATOM 0 H VAL A 75 0.256 5.972 -14.199 1.00 0.00 H new ATOM 0 HA VAL A 75 3.170 5.608 -13.915 1.00 0.00 H new ATOM 0 HB VAL A 75 0.990 4.217 -12.415 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.860 2.828 -11.376 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.727 2.565 -13.131 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.010 3.615 -12.484 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.314 4.854 -10.357 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.452 5.737 -11.402 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.761 6.277 -11.272 1.00 0.00 H new ATOM 1231 N LYS A 76 2.929 3.640 -15.588 1.00 0.00 N ATOM 1232 CA LYS A 76 2.796 2.506 -16.516 1.00 0.00 C ATOM 1233 C LYS A 76 2.836 1.171 -15.755 1.00 0.00 C ATOM 1234 O LYS A 76 3.756 0.929 -14.970 1.00 0.00 O ATOM 1235 CB LYS A 76 3.900 2.544 -17.582 1.00 0.00 C ATOM 1236 CG LYS A 76 3.893 3.819 -18.444 1.00 0.00 C ATOM 1237 CD LYS A 76 4.465 3.531 -19.842 1.00 0.00 C ATOM 1238 CE LYS A 76 3.404 2.842 -20.717 1.00 0.00 C ATOM 1239 NZ LYS A 76 4.007 2.047 -21.815 1.00 0.00 N ATOM 0 H LYS A 76 3.890 3.959 -15.462 1.00 0.00 H new ATOM 0 HA LYS A 76 1.830 2.590 -17.015 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.869 2.455 -17.091 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.792 1.677 -18.233 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.875 4.199 -18.533 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.482 4.597 -17.957 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.786 4.461 -20.311 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.347 2.896 -19.759 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.791 2.190 -20.095 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.740 3.596 -21.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.425 2.141 -22.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.968 2.395 -22.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.051 1.046 -21.535 1.00 0.00 H new ATOM 1253 N SER A 77 1.870 0.281 -15.984 1.00 0.00 N ATOM 1254 CA SER A 77 1.752 -0.986 -15.242 1.00 0.00 C ATOM 1255 C SER A 77 2.993 -1.888 -15.373 1.00 0.00 C ATOM 1256 O SER A 77 3.356 -2.558 -14.403 1.00 0.00 O ATOM 1257 CB SER A 77 0.480 -1.738 -15.660 1.00 0.00 C ATOM 1258 OG SER A 77 0.419 -1.941 -17.065 1.00 0.00 O ATOM 0 H SER A 77 1.144 0.413 -16.688 1.00 0.00 H new ATOM 0 HA SER A 77 1.681 -0.722 -14.187 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.446 -2.702 -15.153 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.396 -1.176 -15.337 1.00 0.00 H new ATOM 0 HG SER A 77 -0.403 -2.424 -17.290 1.00 0.00 H new ATOM 1264 N GLU A 78 3.718 -1.827 -16.499 1.00 0.00 N ATOM 1265 CA GLU A 78 4.937 -2.614 -16.746 1.00 0.00 C ATOM 1266 C GLU A 78 6.047 -2.368 -15.704 1.00 0.00 C ATOM 1267 O GLU A 78 6.902 -3.231 -15.494 1.00 0.00 O ATOM 1268 CB GLU A 78 5.521 -2.331 -18.144 1.00 0.00 C ATOM 1269 CG GLU A 78 4.539 -2.456 -19.318 1.00 0.00 C ATOM 1270 CD GLU A 78 3.943 -1.094 -19.695 1.00 0.00 C ATOM 1271 OE1 GLU A 78 3.025 -0.625 -18.987 1.00 0.00 O ATOM 1272 OE2 GLU A 78 4.412 -0.477 -20.681 1.00 0.00 O ATOM 0 H GLU A 78 3.470 -1.218 -17.279 1.00 0.00 H new ATOM 0 HA GLU A 78 4.617 -3.653 -16.671 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.934 -1.322 -18.147 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.351 -3.016 -18.315 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.052 -2.882 -20.180 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.737 -3.145 -19.052 1.00 0.00 H new ATOM 1279 N GLU A 79 6.025 -1.212 -15.028 1.00 0.00 N ATOM 1280 CA GLU A 79 7.016 -0.818 -14.023 1.00 0.00 C ATOM 1281 C GLU A 79 6.647 -1.255 -12.593 1.00 0.00 C ATOM 1282 O GLU A 79 7.508 -1.264 -11.713 1.00 0.00 O ATOM 1283 CB GLU A 79 7.166 0.713 -14.041 1.00 0.00 C ATOM 1284 CG GLU A 79 7.670 1.295 -15.370 1.00 0.00 C ATOM 1285 CD GLU A 79 9.077 0.796 -15.734 1.00 0.00 C ATOM 1286 OE1 GLU A 79 10.058 1.199 -15.065 1.00 0.00 O ATOM 1287 OE2 GLU A 79 9.216 0.019 -16.708 1.00 0.00 O ATOM 0 H GLU A 79 5.299 -0.509 -15.170 1.00 0.00 H new ATOM 0 HA GLU A 79 7.947 -1.321 -14.286 1.00 0.00 H new ATOM 0 HB2 GLU A 79 6.200 1.161 -13.807 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.854 1.006 -13.248 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.976 1.028 -16.167 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.679 2.383 -15.307 1.00 0.00 H new ATOM 1294 N VAL A 80 5.385 -1.620 -12.346 1.00 0.00 N ATOM 1295 CA VAL A 80 4.833 -1.826 -10.993 1.00 0.00 C ATOM 1296 C VAL A 80 5.265 -3.185 -10.406 1.00 0.00 C ATOM 1297 O VAL A 80 4.994 -4.214 -11.033 1.00 0.00 O ATOM 1298 CB VAL A 80 3.291 -1.701 -10.981 1.00 0.00 C ATOM 1299 CG1 VAL A 80 2.720 -1.901 -9.566 1.00 0.00 C ATOM 1300 CG2 VAL A 80 2.851 -0.318 -11.494 1.00 0.00 C ATOM 0 H VAL A 80 4.704 -1.784 -13.088 1.00 0.00 H new ATOM 0 HA VAL A 80 5.242 -1.037 -10.362 1.00 0.00 H new ATOM 0 HB VAL A 80 2.905 -2.481 -11.637 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.634 -1.806 -9.595 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.988 -2.893 -9.202 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.132 -1.145 -8.897 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.763 -0.253 -11.477 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.271 0.458 -10.854 1.00 0.00 H new ATOM 0 HG23 VAL A 80 3.207 -0.179 -12.515 1.00 0.00 H new ATOM 1310 N PRO A 81 5.898 -3.222 -9.212 1.00 0.00 N ATOM 1311 CA PRO A 81 6.294 -4.460 -8.550 1.00 0.00 C ATOM 1312 C PRO A 81 5.105 -5.117 -7.834 1.00 0.00 C ATOM 1313 O PRO A 81 4.255 -4.444 -7.248 1.00 0.00 O ATOM 1314 CB PRO A 81 7.396 -4.055 -7.569 1.00 0.00 C ATOM 1315 CG PRO A 81 7.003 -2.635 -7.170 1.00 0.00 C ATOM 1316 CD PRO A 81 6.373 -2.075 -8.446 1.00 0.00 C ATOM 0 HA PRO A 81 6.648 -5.206 -9.261 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.432 -4.720 -6.706 1.00 0.00 H new ATOM 0 HB3 PRO A 81 8.381 -4.084 -8.035 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.299 -2.631 -6.338 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.868 -2.050 -6.858 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.551 -1.400 -8.209 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.102 -1.501 -9.019 1.00 0.00 H new