USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 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 Single : A 5 THR OG1 : rot 23:sc= 0.267 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 78:sc= 1.05 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.956 K(o=-0.96,f=-3.2!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.0806 X(o=-0.081,f=-0.0017) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HE2:sc= -0.103 F(o=-1.1,f=-0.1) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 72:sc= 0.0571 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.22) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N THR A 5 9.702 -6.589 -6.307 1.00 71.10 N ATOM 60 CA THR A 5 8.310 -6.213 -6.091 1.00 23.20 C ATOM 61 C THR A 5 8.003 -6.089 -4.602 1.00 45.30 C ATOM 62 O THR A 5 7.189 -5.262 -4.192 1.00 60.40 O ATOM 63 CB THR A 5 7.377 -7.242 -6.732 1.00 43.10 C ATOM 64 OG1 THR A 5 7.802 -7.555 -8.046 1.00 14.30 O ATOM 65 CG2 THR A 5 5.938 -6.777 -6.815 1.00 64.00 C ATOM 0 HA THR A 5 8.146 -5.242 -6.559 1.00 23.20 H new ATOM 0 HB THR A 5 7.423 -8.116 -6.082 1.00 43.10 H new ATOM 0 HG1 THR A 5 8.756 -7.351 -8.139 1.00 14.30 H new ATOM 0 HG21 THR A 5 5.331 -7.554 -7.280 1.00 64.00 H new ATOM 0 HG22 THR A 5 5.563 -6.574 -5.812 1.00 64.00 H new ATOM 0 HG23 THR A 5 5.883 -5.868 -7.413 1.00 64.00 H new ATOM 73 N LEU A 6 8.660 -6.919 -3.798 1.00 34.30 N ATOM 74 CA LEU A 6 8.459 -6.903 -2.355 1.00 3.52 C ATOM 75 C LEU A 6 9.125 -5.685 -1.723 1.00 54.30 C ATOM 76 O LEU A 6 8.543 -5.021 -0.867 1.00 52.10 O ATOM 77 CB LEU A 6 9.011 -8.187 -1.728 1.00 30.10 C ATOM 78 CG LEU A 6 7.975 -9.286 -1.483 1.00 41.30 C ATOM 79 CD1 LEU A 6 6.984 -8.856 -0.413 1.00 42.10 C ATOM 80 CD2 LEU A 6 7.249 -9.630 -2.776 1.00 31.10 C ATOM 0 H LEU A 6 9.336 -7.611 -4.122 1.00 34.30 H new ATOM 0 HA LEU A 6 7.387 -6.845 -2.164 1.00 3.52 H new ATOM 0 HB2 LEU A 6 9.792 -8.583 -2.377 1.00 30.10 H new ATOM 0 HB3 LEU A 6 9.483 -7.936 -0.778 1.00 30.10 H new ATOM 0 HG LEU A 6 8.494 -10.177 -1.131 1.00 41.30 H new ATOM 0 HD11 LEU A 6 6.255 -9.650 -0.252 1.00 42.10 H new ATOM 0 HD12 LEU A 6 7.516 -8.658 0.517 1.00 42.10 H new ATOM 0 HD13 LEU A 6 6.470 -7.951 -0.736 1.00 42.10 H new ATOM 0 HD21 LEU A 6 6.516 -10.413 -2.584 1.00 31.10 H new ATOM 0 HD22 LEU A 6 6.742 -8.743 -3.155 1.00 31.10 H new ATOM 0 HD23 LEU A 6 7.969 -9.980 -3.515 1.00 31.10 H new ATOM 92 N GLN A 7 10.350 -5.398 -2.152 1.00 62.50 N ATOM 93 CA GLN A 7 11.097 -4.260 -1.628 1.00 33.20 C ATOM 94 C GLN A 7 10.435 -2.943 -2.022 1.00 44.20 C ATOM 95 O GLN A 7 10.477 -1.968 -1.272 1.00 74.10 O ATOM 96 CB GLN A 7 12.539 -4.291 -2.137 1.00 10.40 C ATOM 97 CG GLN A 7 13.522 -3.572 -1.227 1.00 13.10 C ATOM 98 CD GLN A 7 14.098 -4.478 -0.158 1.00 10.30 C ATOM 99 OE1 GLN A 7 14.755 -5.474 -0.460 1.00 62.30 O ATOM 100 NE2 GLN A 7 13.853 -4.137 1.102 1.00 63.00 N ATOM 0 H GLN A 7 10.846 -5.938 -2.861 1.00 62.50 H new ATOM 0 HA GLN A 7 11.101 -4.332 -0.540 1.00 33.20 H new ATOM 0 HB2 GLN A 7 12.853 -5.329 -2.250 1.00 10.40 H new ATOM 0 HB3 GLN A 7 12.576 -3.838 -3.128 1.00 10.40 H new ATOM 0 HG2 GLN A 7 14.335 -3.163 -1.827 1.00 13.10 H new ATOM 0 HG3 GLN A 7 13.021 -2.729 -0.752 1.00 13.10 H new ATOM 0 HE21 GLN A 7 13.303 -3.303 1.307 1.00 63.00 H new ATOM 0 HE22 GLN A 7 14.214 -4.710 1.865 1.00 63.00 H new ATOM 109 N LYS A 8 9.824 -2.923 -3.202 1.00 34.10 N ATOM 110 CA LYS A 8 9.154 -1.725 -3.694 1.00 55.00 C ATOM 111 C LYS A 8 7.827 -1.508 -2.972 1.00 4.42 C ATOM 112 O LYS A 8 7.401 -0.371 -2.767 1.00 44.10 O ATOM 113 CB LYS A 8 8.918 -1.831 -5.203 1.00 24.10 C ATOM 114 CG LYS A 8 9.909 -1.028 -6.030 1.00 71.30 C ATOM 115 CD LYS A 8 9.239 -0.378 -7.233 1.00 44.40 C ATOM 116 CE LYS A 8 9.573 1.102 -7.332 1.00 20.20 C ATOM 117 NZ LYS A 8 10.071 1.470 -8.687 1.00 41.30 N ATOM 0 H LYS A 8 9.779 -3.722 -3.835 1.00 34.10 H new ATOM 0 HA LYS A 8 9.799 -0.869 -3.494 1.00 55.00 H new ATOM 0 HB2 LYS A 8 8.975 -2.879 -5.499 1.00 24.10 H new ATOM 0 HB3 LYS A 8 7.908 -1.490 -5.429 1.00 24.10 H new ATOM 0 HG2 LYS A 8 10.364 -0.258 -5.407 1.00 71.30 H new ATOM 0 HG3 LYS A 8 10.713 -1.681 -6.369 1.00 71.30 H new ATOM 0 HD2 LYS A 8 9.557 -0.884 -8.144 1.00 44.40 H new ATOM 0 HD3 LYS A 8 8.159 -0.503 -7.159 1.00 44.40 H new ATOM 0 HE2 LYS A 8 8.686 1.691 -7.099 1.00 20.20 H new ATOM 0 HE3 LYS A 8 10.328 1.354 -6.587 1.00 20.20 H new ATOM 0 HZ1 LYS A 8 10.287 2.487 -8.713 1.00 41.30 H new ATOM 0 HZ2 LYS A 8 10.932 0.927 -8.900 1.00 41.30 H new ATOM 0 HZ3 LYS A 8 9.341 1.253 -9.396 1.00 41.30 H new ATOM 131 N ALA A 9 7.180 -2.604 -2.589 1.00 20.30 N ATOM 132 CA ALA A 9 5.904 -2.532 -1.890 1.00 12.10 C ATOM 133 C ALA A 9 6.076 -1.963 -0.487 1.00 42.50 C ATOM 134 O ALA A 9 5.206 -1.251 0.017 1.00 53.30 O ATOM 135 CB ALA A 9 5.259 -3.908 -1.829 1.00 32.30 C ATOM 0 H ALA A 9 7.519 -3.552 -2.751 1.00 20.30 H new ATOM 0 HA ALA A 9 5.251 -1.860 -2.447 1.00 12.10 H new ATOM 0 HB1 ALA A 9 4.306 -3.840 -1.304 1.00 32.30 H new ATOM 0 HB2 ALA A 9 5.090 -4.276 -2.841 1.00 32.30 H new ATOM 0 HB3 ALA A 9 5.918 -4.595 -1.298 1.00 32.30 H new ATOM 141 N ILE A 10 7.202 -2.282 0.141 1.00 54.20 N ATOM 142 CA ILE A 10 7.490 -1.804 1.489 1.00 20.30 C ATOM 143 C ILE A 10 7.836 -0.319 1.483 1.00 34.00 C ATOM 144 O ILE A 10 7.588 0.390 2.459 1.00 40.20 O ATOM 145 CB ILE A 10 8.652 -2.589 2.129 1.00 34.10 C ATOM 146 CG1 ILE A 10 8.403 -4.094 2.020 1.00 72.10 C ATOM 147 CG2 ILE A 10 8.831 -2.181 3.584 1.00 12.30 C ATOM 148 CD1 ILE A 10 9.674 -4.915 1.962 1.00 24.00 C ATOM 0 H ILE A 10 7.931 -2.870 -0.262 1.00 54.20 H new ATOM 0 HA ILE A 10 6.588 -1.962 2.080 1.00 20.30 H new ATOM 0 HB ILE A 10 9.569 -2.352 1.590 1.00 34.10 H new ATOM 0 HG12 ILE A 10 7.809 -4.419 2.874 1.00 72.10 H new ATOM 0 HG13 ILE A 10 7.811 -4.292 1.127 1.00 72.10 H new ATOM 0 HG21 ILE A 10 9.655 -2.744 4.021 1.00 12.30 H new ATOM 0 HG22 ILE A 10 9.051 -1.115 3.638 1.00 12.30 H new ATOM 0 HG23 ILE A 10 7.915 -2.391 4.136 1.00 12.30 H new ATOM 0 HD11 ILE A 10 9.421 -5.972 1.885 1.00 24.00 H new ATOM 0 HD12 ILE A 10 10.260 -4.618 1.092 1.00 24.00 H new ATOM 0 HD13 ILE A 10 10.258 -4.746 2.867 1.00 24.00 H new ATOM 160 N ASP A 11 8.413 0.146 0.380 1.00 0.32 N ATOM 161 CA ASP A 11 8.796 1.547 0.248 1.00 74.30 C ATOM 162 C ASP A 11 7.582 2.423 -0.044 1.00 15.20 C ATOM 163 O ASP A 11 7.543 3.594 0.335 1.00 14.40 O ATOM 164 CB ASP A 11 9.836 1.710 -0.862 1.00 5.00 C ATOM 165 CG ASP A 11 10.911 2.718 -0.505 1.00 63.40 C ATOM 166 OD1 ASP A 11 10.671 3.931 -0.686 1.00 64.40 O ATOM 167 OD2 ASP A 11 11.992 2.296 -0.045 1.00 65.00 O ATOM 0 H ASP A 11 8.626 -0.427 -0.436 1.00 0.32 H new ATOM 0 HA ASP A 11 9.230 1.868 1.195 1.00 74.30 H new ATOM 0 HB2 ASP A 11 10.300 0.745 -1.066 1.00 5.00 H new ATOM 0 HB3 ASP A 11 9.338 2.024 -1.779 1.00 5.00 H new ATOM 172 N LEU A 12 6.593 1.851 -0.723 1.00 41.30 N ATOM 173 CA LEU A 12 5.380 2.582 -1.067 1.00 13.00 C ATOM 174 C LEU A 12 4.504 2.801 0.163 1.00 21.20 C ATOM 175 O LEU A 12 3.829 3.824 0.283 1.00 22.40 O ATOM 176 CB LEU A 12 4.593 1.828 -2.143 1.00 52.20 C ATOM 177 CG LEU A 12 4.830 2.311 -3.575 1.00 41.30 C ATOM 178 CD1 LEU A 12 4.250 3.704 -3.770 1.00 2.41 C ATOM 179 CD2 LEU A 12 6.315 2.300 -3.902 1.00 61.40 C ATOM 0 H LEU A 12 6.608 0.883 -1.046 1.00 41.30 H new ATOM 0 HA LEU A 12 5.673 3.557 -1.456 1.00 13.00 H new ATOM 0 HB2 LEU A 12 4.850 0.770 -2.085 1.00 52.20 H new ATOM 0 HB3 LEU A 12 3.529 1.911 -1.919 1.00 52.20 H new ATOM 0 HG LEU A 12 4.323 1.629 -4.257 1.00 41.30 H new ATOM 0 HD11 LEU A 12 4.428 4.032 -4.794 1.00 2.41 H new ATOM 0 HD12 LEU A 12 3.177 3.682 -3.577 1.00 2.41 H new ATOM 0 HD13 LEU A 12 4.729 4.398 -3.079 1.00 2.41 H new ATOM 0 HD21 LEU A 12 6.465 2.646 -4.925 1.00 61.40 H new ATOM 0 HD22 LEU A 12 6.844 2.960 -3.214 1.00 61.40 H new ATOM 0 HD23 LEU A 12 6.702 1.286 -3.802 1.00 61.40 H new ATOM 191 N VAL A 13 4.517 1.834 1.074 1.00 10.30 N ATOM 192 CA VAL A 13 3.723 1.922 2.293 1.00 65.20 C ATOM 193 C VAL A 13 4.406 2.804 3.334 1.00 41.30 C ATOM 194 O VAL A 13 3.743 3.454 4.142 1.00 41.20 O ATOM 195 CB VAL A 13 3.471 0.531 2.903 1.00 32.10 C ATOM 196 CG1 VAL A 13 2.529 -0.276 2.023 1.00 11.10 C ATOM 197 CG2 VAL A 13 4.785 -0.208 3.107 1.00 53.10 C ATOM 0 H VAL A 13 5.069 0.980 0.991 1.00 10.30 H new ATOM 0 HA VAL A 13 2.768 2.367 2.014 1.00 65.20 H new ATOM 0 HB VAL A 13 2.999 0.662 3.877 1.00 32.10 H new ATOM 0 HG11 VAL A 13 2.363 -1.256 2.471 1.00 11.10 H new ATOM 0 HG12 VAL A 13 1.577 0.248 1.933 1.00 11.10 H new ATOM 0 HG13 VAL A 13 2.971 -0.399 1.034 1.00 11.10 H new ATOM 0 HG21 VAL A 13 4.587 -1.189 3.539 1.00 53.10 H new ATOM 0 HG22 VAL A 13 5.287 -0.329 2.147 1.00 53.10 H new ATOM 0 HG23 VAL A 13 5.423 0.363 3.781 1.00 53.10 H new ATOM 207 N THR A 14 5.734 2.821 3.309 1.00 21.40 N ATOM 208 CA THR A 14 6.506 3.622 4.252 1.00 43.00 C ATOM 209 C THR A 14 6.402 5.108 3.919 1.00 2.21 C ATOM 210 O THR A 14 6.373 5.953 4.813 1.00 44.00 O ATOM 211 CB THR A 14 7.972 3.189 4.241 1.00 41.40 C ATOM 212 OG1 THR A 14 8.084 1.793 4.457 1.00 32.10 O ATOM 213 CG2 THR A 14 8.810 3.884 5.291 1.00 65.20 C ATOM 0 H THR A 14 6.298 2.289 2.646 1.00 21.40 H new ATOM 0 HA THR A 14 6.093 3.461 5.248 1.00 43.00 H new ATOM 0 HB THR A 14 8.348 3.468 3.257 1.00 41.40 H new ATOM 0 HG1 THR A 14 7.872 1.316 3.628 1.00 32.10 H new ATOM 0 HG21 THR A 14 9.839 3.530 5.228 1.00 65.20 H new ATOM 0 HG22 THR A 14 8.785 4.961 5.122 1.00 65.20 H new ATOM 0 HG23 THR A 14 8.410 3.662 6.281 1.00 65.20 H new ATOM 221 N LYS A 15 6.347 5.417 2.628 1.00 22.00 N ATOM 222 CA LYS A 15 6.247 6.801 2.178 1.00 74.30 C ATOM 223 C LYS A 15 4.853 7.363 2.440 1.00 14.30 C ATOM 224 O LYS A 15 4.687 8.566 2.644 1.00 21.00 O ATOM 225 CB LYS A 15 6.580 6.897 0.687 1.00 71.20 C ATOM 226 CG LYS A 15 7.739 7.833 0.382 1.00 43.10 C ATOM 227 CD LYS A 15 8.714 7.215 -0.607 1.00 31.10 C ATOM 228 CE LYS A 15 10.108 7.802 -0.458 1.00 2.45 C ATOM 229 NZ LYS A 15 10.417 8.779 -1.537 1.00 51.00 N ATOM 0 H LYS A 15 6.370 4.729 1.875 1.00 22.00 H new ATOM 0 HA LYS A 15 6.966 7.394 2.744 1.00 74.30 H new ATOM 0 HB2 LYS A 15 6.819 5.902 0.312 1.00 71.20 H new ATOM 0 HB3 LYS A 15 5.697 7.238 0.147 1.00 71.20 H new ATOM 0 HG2 LYS A 15 7.354 8.769 -0.023 1.00 43.10 H new ATOM 0 HG3 LYS A 15 8.263 8.077 1.306 1.00 43.10 H new ATOM 0 HD2 LYS A 15 8.754 6.137 -0.454 1.00 31.10 H new ATOM 0 HD3 LYS A 15 8.356 7.379 -1.623 1.00 31.10 H new ATOM 0 HE2 LYS A 15 10.193 8.293 0.511 1.00 2.45 H new ATOM 0 HE3 LYS A 15 10.844 6.998 -0.474 1.00 2.45 H new ATOM 0 HZ1 LYS A 15 11.376 9.156 -1.399 1.00 51.00 H new ATOM 0 HZ2 LYS A 15 10.361 8.305 -2.461 1.00 51.00 H new ATOM 0 HZ3 LYS A 15 9.730 9.559 -1.506 1.00 51.00 H new ATOM 243 N ALA A 16 3.854 6.486 2.433 1.00 73.20 N ATOM 244 CA ALA A 16 2.475 6.897 2.670 1.00 23.30 C ATOM 245 C ALA A 16 2.255 7.279 4.130 1.00 40.20 C ATOM 246 O ALA A 16 1.671 8.322 4.427 1.00 63.40 O ATOM 247 CB ALA A 16 1.517 5.788 2.262 1.00 40.40 C ATOM 0 H ALA A 16 3.974 5.487 2.266 1.00 73.20 H new ATOM 0 HA ALA A 16 2.276 7.778 2.060 1.00 23.30 H new ATOM 0 HB1 ALA A 16 0.491 6.108 2.444 1.00 40.40 H new ATOM 0 HB2 ALA A 16 1.646 5.568 1.202 1.00 40.40 H new ATOM 0 HB3 ALA A 16 1.727 4.892 2.847 1.00 40.40 H new ATOM 253 N THR A 17 2.724 6.428 5.038 1.00 42.00 N ATOM 254 CA THR A 17 2.574 6.676 6.468 1.00 25.20 C ATOM 255 C THR A 17 3.222 8.001 6.862 1.00 31.20 C ATOM 256 O THR A 17 2.651 8.777 7.630 1.00 70.50 O ATOM 257 CB THR A 17 3.194 5.533 7.273 1.00 70.50 C ATOM 258 OG1 THR A 17 3.159 5.822 8.660 1.00 22.20 O ATOM 259 CG2 THR A 17 4.632 5.248 6.900 1.00 4.22 C ATOM 0 H THR A 17 3.211 5.561 4.809 1.00 42.00 H new ATOM 0 HA THR A 17 1.509 6.732 6.691 1.00 25.20 H new ATOM 0 HB THR A 17 2.594 4.654 7.036 1.00 70.50 H new ATOM 0 HG1 THR A 17 3.558 5.079 9.159 1.00 22.20 H new ATOM 0 HG21 THR A 17 5.010 4.427 7.509 1.00 4.22 H new ATOM 0 HG22 THR A 17 4.687 4.974 5.846 1.00 4.22 H new ATOM 0 HG23 THR A 17 5.237 6.138 7.076 1.00 4.22 H new ATOM 267 N GLU A 18 4.414 8.254 6.333 1.00 33.20 N ATOM 268 CA GLU A 18 5.137 9.484 6.631 1.00 32.40 C ATOM 269 C GLU A 18 4.427 10.693 6.030 1.00 10.10 C ATOM 270 O GLU A 18 4.495 11.797 6.570 1.00 61.30 O ATOM 271 CB GLU A 18 6.568 9.401 6.097 1.00 34.30 C ATOM 272 CG GLU A 18 6.644 9.200 4.593 1.00 10.40 C ATOM 273 CD GLU A 18 8.069 9.194 4.076 1.00 0.45 C ATOM 274 OE1 GLU A 18 8.756 8.164 4.240 1.00 13.50 O ATOM 275 OE2 GLU A 18 8.499 10.221 3.508 1.00 23.50 O ATOM 0 H GLU A 18 4.900 7.623 5.695 1.00 33.20 H new ATOM 0 HA GLU A 18 5.167 9.605 7.714 1.00 32.40 H new ATOM 0 HB2 GLU A 18 7.099 10.316 6.360 1.00 34.30 H new ATOM 0 HB3 GLU A 18 7.085 8.579 6.592 1.00 34.30 H new ATOM 0 HG2 GLU A 18 6.163 8.258 4.332 1.00 10.40 H new ATOM 0 HG3 GLU A 18 6.085 9.992 4.096 1.00 10.40 H new ATOM 282 N GLU A 19 3.747 10.477 4.909 1.00 23.10 N ATOM 283 CA GLU A 19 3.026 11.549 4.234 1.00 2.40 C ATOM 284 C GLU A 19 1.745 11.903 4.986 1.00 11.50 C ATOM 285 O GLU A 19 1.364 13.070 5.068 1.00 54.30 O ATOM 286 CB GLU A 19 2.694 11.141 2.796 1.00 21.10 C ATOM 287 CG GLU A 19 3.646 11.726 1.764 1.00 21.30 C ATOM 288 CD GLU A 19 4.065 10.712 0.718 1.00 61.10 C ATOM 289 OE1 GLU A 19 3.183 10.209 -0.010 1.00 20.10 O ATOM 290 OE2 GLU A 19 5.277 10.422 0.625 1.00 1.13 O ATOM 0 H GLU A 19 3.680 9.569 4.449 1.00 23.10 H new ATOM 0 HA GLU A 19 3.668 12.430 4.215 1.00 2.40 H new ATOM 0 HB2 GLU A 19 2.714 10.054 2.722 1.00 21.10 H new ATOM 0 HB3 GLU A 19 1.678 11.458 2.562 1.00 21.10 H new ATOM 0 HG2 GLU A 19 3.168 12.573 1.273 1.00 21.30 H new ATOM 0 HG3 GLU A 19 4.533 12.109 2.269 1.00 21.30 H new ATOM 297 N ASP A 20 1.083 10.887 5.532 1.00 13.40 N ATOM 298 CA ASP A 20 -0.156 11.092 6.275 1.00 33.20 C ATOM 299 C ASP A 20 0.036 12.123 7.385 1.00 31.40 C ATOM 300 O ASP A 20 -0.765 13.046 7.533 1.00 1.24 O ATOM 301 CB ASP A 20 -0.641 9.770 6.872 1.00 0.43 C ATOM 302 CG ASP A 20 -2.149 9.722 7.019 1.00 61.30 C ATOM 303 OD1 ASP A 20 -2.844 10.413 6.245 1.00 3.43 O ATOM 304 OD2 ASP A 20 -2.636 8.992 7.908 1.00 10.20 O ATOM 0 H ASP A 20 1.384 9.914 5.474 1.00 13.40 H new ATOM 0 HA ASP A 20 -0.907 11.468 5.581 1.00 33.20 H new ATOM 0 HB2 ASP A 20 -0.314 8.946 6.238 1.00 0.43 H new ATOM 0 HB3 ASP A 20 -0.179 9.624 7.848 1.00 0.43 H new ATOM 309 N LYS A 21 1.103 11.959 8.159 1.00 22.30 N ATOM 310 CA LYS A 21 1.401 12.877 9.254 1.00 64.20 C ATOM 311 C LYS A 21 1.956 14.201 8.731 1.00 43.20 C ATOM 312 O LYS A 21 1.989 15.197 9.454 1.00 43.00 O ATOM 313 CB LYS A 21 2.400 12.240 10.222 1.00 22.10 C ATOM 314 CG LYS A 21 3.744 11.921 9.589 1.00 50.50 C ATOM 315 CD LYS A 21 4.525 10.911 10.416 1.00 34.20 C ATOM 316 CE LYS A 21 5.946 11.383 10.684 1.00 45.40 C ATOM 317 NZ LYS A 21 6.353 11.147 12.096 1.00 53.10 N ATOM 0 H LYS A 21 1.776 11.200 8.049 1.00 22.30 H new ATOM 0 HA LYS A 21 0.469 13.082 9.781 1.00 64.20 H new ATOM 0 HB2 LYS A 21 2.556 12.913 11.065 1.00 22.10 H new ATOM 0 HB3 LYS A 21 1.970 11.322 10.623 1.00 22.10 H new ATOM 0 HG2 LYS A 21 3.590 11.528 8.584 1.00 50.50 H new ATOM 0 HG3 LYS A 21 4.326 12.837 9.487 1.00 50.50 H new ATOM 0 HD2 LYS A 21 4.013 10.742 11.363 1.00 34.20 H new ATOM 0 HD3 LYS A 21 4.551 9.955 9.893 1.00 34.20 H new ATOM 0 HE2 LYS A 21 6.633 10.863 10.017 1.00 45.40 H new ATOM 0 HE3 LYS A 21 6.024 12.446 10.457 1.00 45.40 H new ATOM 0 HZ1 LYS A 21 7.327 11.482 12.237 1.00 53.10 H new ATOM 0 HZ2 LYS A 21 5.713 11.664 12.733 1.00 53.10 H new ATOM 0 HZ3 LYS A 21 6.303 10.130 12.306 1.00 53.10 H new ATOM 331 N ALA A 22 2.393 14.208 7.474 1.00 41.30 N ATOM 332 CA ALA A 22 2.946 15.413 6.865 1.00 32.20 C ATOM 333 C ALA A 22 1.882 16.183 6.085 1.00 34.50 C ATOM 334 O ALA A 22 2.203 16.951 5.177 1.00 72.50 O ATOM 335 CB ALA A 22 4.111 15.055 5.956 1.00 5.42 C ATOM 0 H ALA A 22 2.375 13.394 6.859 1.00 41.30 H new ATOM 0 HA ALA A 22 3.305 16.059 7.666 1.00 32.20 H new ATOM 0 HB1 ALA A 22 4.515 15.963 5.508 1.00 5.42 H new ATOM 0 HB2 ALA A 22 4.889 14.561 6.539 1.00 5.42 H new ATOM 0 HB3 ALA A 22 3.766 14.384 5.169 1.00 5.42 H new ATOM 341 N LYS A 23 0.619 15.978 6.445 1.00 53.10 N ATOM 342 CA LYS A 23 -0.487 16.658 5.778 1.00 31.40 C ATOM 343 C LYS A 23 -0.497 16.352 4.282 1.00 42.10 C ATOM 344 O LYS A 23 -0.659 17.250 3.455 1.00 23.10 O ATOM 345 CB LYS A 23 -0.390 18.169 6.004 1.00 3.34 C ATOM 346 CG LYS A 23 -1.716 18.812 6.385 1.00 21.40 C ATOM 347 CD LYS A 23 -1.712 19.306 7.825 1.00 10.50 C ATOM 348 CE LYS A 23 -2.747 18.579 8.669 1.00 31.20 C ATOM 349 NZ LYS A 23 -3.971 19.401 8.877 1.00 5.20 N ATOM 0 H LYS A 23 0.335 15.347 7.194 1.00 53.10 H new ATOM 0 HA LYS A 23 -1.419 16.291 6.207 1.00 31.40 H new ATOM 0 HB2 LYS A 23 0.339 18.365 6.790 1.00 3.34 H new ATOM 0 HB3 LYS A 23 -0.014 18.641 5.096 1.00 3.34 H new ATOM 0 HG2 LYS A 23 -1.921 19.647 5.715 1.00 21.40 H new ATOM 0 HG3 LYS A 23 -2.522 18.090 6.251 1.00 21.40 H new ATOM 0 HD2 LYS A 23 -0.722 19.161 8.257 1.00 10.50 H new ATOM 0 HD3 LYS A 23 -1.914 20.377 7.843 1.00 10.50 H new ATOM 0 HE2 LYS A 23 -3.018 17.641 8.183 1.00 31.20 H new ATOM 0 HE3 LYS A 23 -2.313 18.324 9.636 1.00 31.20 H new ATOM 0 HZ1 LYS A 23 -4.652 18.870 9.457 1.00 5.20 H new ATOM 0 HZ2 LYS A 23 -3.717 20.285 9.363 1.00 5.20 H new ATOM 0 HZ3 LYS A 23 -4.400 19.624 7.956 1.00 5.20 H new ATOM 363 N ASN A 24 -0.328 15.078 3.941 1.00 14.30 N ATOM 364 CA ASN A 24 -0.321 14.656 2.545 1.00 23.40 C ATOM 365 C ASN A 24 -1.370 13.576 2.299 1.00 64.30 C ATOM 366 O ASN A 24 -1.096 12.561 1.659 1.00 65.40 O ATOM 367 CB ASN A 24 1.065 14.140 2.150 1.00 43.40 C ATOM 368 CG ASN A 24 2.096 15.250 2.080 1.00 64.00 C ATOM 369 OD1 ASN A 24 2.652 15.662 3.098 1.00 22.10 O ATOM 370 ND2 ASN A 24 2.356 15.740 0.873 1.00 61.20 N ATOM 0 H ASN A 24 -0.194 14.321 4.612 1.00 14.30 H new ATOM 0 HA ASN A 24 -0.565 15.521 1.929 1.00 23.40 H new ATOM 0 HB2 ASN A 24 1.390 13.391 2.872 1.00 43.40 H new ATOM 0 HB3 ASN A 24 1.003 13.644 1.181 1.00 43.40 H new ATOM 0 HD21 ASN A 24 3.041 16.488 0.763 1.00 61.20 H new ATOM 0 HD22 ASN A 24 1.871 15.368 0.056 1.00 61.20 H new ATOM 377 N TYR A 25 -2.576 13.802 2.816 1.00 71.20 N ATOM 378 CA TYR A 25 -3.672 12.850 2.657 1.00 2.43 C ATOM 379 C TYR A 25 -3.858 12.464 1.191 1.00 64.00 C ATOM 380 O TYR A 25 -4.083 11.297 0.870 1.00 72.40 O ATOM 381 CB TYR A 25 -4.971 13.443 3.206 1.00 25.20 C ATOM 382 CG TYR A 25 -4.982 13.594 4.710 1.00 31.20 C ATOM 383 CD1 TYR A 25 -5.158 12.491 5.536 1.00 44.50 C ATOM 384 CD2 TYR A 25 -4.818 14.839 5.304 1.00 73.50 C ATOM 385 CE1 TYR A 25 -5.169 12.625 6.912 1.00 35.10 C ATOM 386 CE2 TYR A 25 -4.827 14.980 6.679 1.00 32.40 C ATOM 387 CZ TYR A 25 -5.004 13.871 7.478 1.00 1.40 C ATOM 388 OH TYR A 25 -5.015 14.009 8.847 1.00 64.10 O ATOM 0 H TYR A 25 -2.819 14.637 3.349 1.00 71.20 H new ATOM 0 HA TYR A 25 -3.420 11.951 3.219 1.00 2.43 H new ATOM 0 HB2 TYR A 25 -5.135 14.420 2.750 1.00 25.20 H new ATOM 0 HB3 TYR A 25 -5.805 12.808 2.907 1.00 25.20 H new ATOM 0 HD1 TYR A 25 -5.288 11.513 5.096 1.00 44.50 H new ATOM 0 HD2 TYR A 25 -4.681 15.711 4.681 1.00 73.50 H new ATOM 0 HE1 TYR A 25 -5.306 11.757 7.540 1.00 35.10 H new ATOM 0 HE2 TYR A 25 -4.696 15.955 7.125 1.00 32.40 H new ATOM 0 HH TYR A 25 -4.885 14.951 9.082 1.00 64.10 H new ATOM 398 N GLU A 26 -3.762 13.452 0.308 1.00 45.40 N ATOM 399 CA GLU A 26 -3.920 13.216 -1.123 1.00 61.30 C ATOM 400 C GLU A 26 -2.806 12.319 -1.653 1.00 35.40 C ATOM 401 O GLU A 26 -3.036 11.472 -2.516 1.00 51.30 O ATOM 402 CB GLU A 26 -3.925 14.544 -1.882 1.00 64.00 C ATOM 403 CG GLU A 26 -2.740 15.437 -1.555 1.00 43.00 C ATOM 404 CD GLU A 26 -2.550 16.548 -2.568 1.00 42.10 C ATOM 405 OE1 GLU A 26 -3.397 17.465 -2.611 1.00 2.01 O ATOM 406 OE2 GLU A 26 -1.554 16.502 -3.320 1.00 30.20 O ATOM 0 H GLU A 26 -3.576 14.423 0.557 1.00 45.40 H new ATOM 0 HA GLU A 26 -4.874 12.712 -1.280 1.00 61.30 H new ATOM 0 HB2 GLU A 26 -3.931 14.341 -2.953 1.00 64.00 H new ATOM 0 HB3 GLU A 26 -4.847 15.080 -1.654 1.00 64.00 H new ATOM 0 HG2 GLU A 26 -2.880 15.873 -0.566 1.00 43.00 H new ATOM 0 HG3 GLU A 26 -1.835 14.832 -1.511 1.00 43.00 H new ATOM 413 N GLU A 27 -1.599 12.510 -1.130 1.00 53.20 N ATOM 414 CA GLU A 27 -0.449 11.718 -1.552 1.00 4.11 C ATOM 415 C GLU A 27 -0.535 10.297 -1.004 1.00 32.50 C ATOM 416 O GLU A 27 -0.206 9.335 -1.697 1.00 42.40 O ATOM 417 CB GLU A 27 0.849 12.381 -1.085 1.00 41.10 C ATOM 418 CG GLU A 27 1.975 12.295 -2.102 1.00 51.30 C ATOM 419 CD GLU A 27 1.902 13.390 -3.147 1.00 31.10 C ATOM 420 OE1 GLU A 27 1.131 13.233 -4.118 1.00 70.00 O ATOM 421 OE2 GLU A 27 2.615 14.404 -2.997 1.00 40.00 O ATOM 0 H GLU A 27 -1.392 13.206 -0.414 1.00 53.20 H new ATOM 0 HA GLU A 27 -0.453 11.667 -2.641 1.00 4.11 H new ATOM 0 HB2 GLU A 27 0.652 13.429 -0.861 1.00 41.10 H new ATOM 0 HB3 GLU A 27 1.173 11.912 -0.156 1.00 41.10 H new ATOM 0 HG2 GLU A 27 2.932 12.355 -1.584 1.00 51.30 H new ATOM 0 HG3 GLU A 27 1.940 11.324 -2.596 1.00 51.30 H new ATOM 428 N ALA A 28 -0.976 10.173 0.244 1.00 61.00 N ATOM 429 CA ALA A 28 -1.103 8.871 0.884 1.00 11.20 C ATOM 430 C ALA A 28 -2.046 7.961 0.103 1.00 35.10 C ATOM 431 O ALA A 28 -1.840 6.750 0.031 1.00 74.40 O ATOM 432 CB ALA A 28 -1.589 9.032 2.316 1.00 41.10 C ATOM 0 H ALA A 28 -1.251 10.960 0.832 1.00 61.00 H new ATOM 0 HA ALA A 28 -0.118 8.404 0.895 1.00 11.20 H new ATOM 0 HB1 ALA A 28 -1.679 8.051 2.782 1.00 41.10 H new ATOM 0 HB2 ALA A 28 -0.875 9.636 2.877 1.00 41.10 H new ATOM 0 HB3 ALA A 28 -2.561 9.525 2.317 1.00 41.10 H new ATOM 438 N LEU A 29 -3.085 8.554 -0.479 1.00 1.21 N ATOM 439 CA LEU A 29 -4.060 7.795 -1.254 1.00 55.20 C ATOM 440 C LEU A 29 -3.400 7.123 -2.454 1.00 14.20 C ATOM 441 O LEU A 29 -3.559 5.922 -2.669 1.00 24.40 O ATOM 442 CB LEU A 29 -5.192 8.712 -1.726 1.00 24.20 C ATOM 443 CG LEU A 29 -6.242 8.040 -2.612 1.00 22.50 C ATOM 444 CD1 LEU A 29 -6.989 6.967 -1.835 1.00 11.30 C ATOM 445 CD2 LEU A 29 -7.212 9.075 -3.162 1.00 42.40 C ATOM 0 H LEU A 29 -3.273 9.555 -0.428 1.00 1.21 H new ATOM 0 HA LEU A 29 -4.474 7.019 -0.610 1.00 55.20 H new ATOM 0 HB2 LEU A 29 -5.690 9.129 -0.851 1.00 24.20 H new ATOM 0 HB3 LEU A 29 -4.757 9.548 -2.274 1.00 24.20 H new ATOM 0 HG LEU A 29 -5.733 7.564 -3.450 1.00 22.50 H new ATOM 0 HD11 LEU A 29 -7.732 6.500 -2.482 1.00 11.30 H new ATOM 0 HD12 LEU A 29 -6.284 6.212 -1.488 1.00 11.30 H new ATOM 0 HD13 LEU A 29 -7.487 7.419 -0.978 1.00 11.30 H new ATOM 0 HD21 LEU A 29 -7.953 8.581 -3.791 1.00 42.40 H new ATOM 0 HD22 LEU A 29 -7.714 9.578 -2.336 1.00 42.40 H new ATOM 0 HD23 LEU A 29 -6.665 9.808 -3.754 1.00 42.40 H new ATOM 457 N ARG A 30 -2.662 7.906 -3.233 1.00 21.30 N ATOM 458 CA ARG A 30 -1.978 7.387 -4.411 1.00 25.50 C ATOM 459 C ARG A 30 -0.798 6.505 -4.015 1.00 14.30 C ATOM 460 O ARG A 30 -0.464 5.547 -4.713 1.00 3.32 O ATOM 461 CB ARG A 30 -1.494 8.538 -5.295 1.00 12.20 C ATOM 462 CG ARG A 30 -2.571 9.095 -6.213 1.00 72.00 C ATOM 463 CD ARG A 30 -3.202 10.353 -5.636 1.00 3.42 C ATOM 464 NE ARG A 30 -3.289 11.424 -6.626 1.00 44.30 N ATOM 465 CZ ARG A 30 -4.219 11.482 -7.576 1.00 71.20 C ATOM 466 NH1 ARG A 30 -5.142 10.532 -7.670 1.00 5.23 N ATOM 467 NH2 ARG A 30 -4.226 12.491 -8.437 1.00 43.20 N ATOM 0 H ARG A 30 -2.522 8.903 -3.070 1.00 21.30 H new ATOM 0 HA ARG A 30 -2.689 6.780 -4.972 1.00 25.50 H new ATOM 0 HB2 ARG A 30 -1.119 9.340 -4.659 1.00 12.20 H new ATOM 0 HB3 ARG A 30 -0.656 8.193 -5.900 1.00 12.20 H new ATOM 0 HG2 ARG A 30 -2.139 9.318 -7.188 1.00 72.00 H new ATOM 0 HG3 ARG A 30 -3.341 8.340 -6.371 1.00 72.00 H new ATOM 0 HD2 ARG A 30 -4.200 10.121 -5.264 1.00 3.42 H new ATOM 0 HD3 ARG A 30 -2.616 10.694 -4.783 1.00 3.42 H new ATOM 0 HE ARG A 30 -2.596 12.171 -6.587 1.00 44.30 H new ATOM 0 HH11 ARG A 30 -5.141 9.753 -7.012 1.00 5.23 H new ATOM 0 HH12 ARG A 30 -5.852 10.582 -8.400 1.00 5.23 H new ATOM 0 HH21 ARG A 30 -3.518 13.223 -8.371 1.00 43.20 H new ATOM 0 HH22 ARG A 30 -4.939 12.535 -9.165 1.00 43.20 H new ATOM 481 N LEU A 31 -0.170 6.836 -2.892 1.00 25.30 N ATOM 482 CA LEU A 31 0.975 6.074 -2.404 1.00 14.20 C ATOM 483 C LEU A 31 0.541 4.706 -1.886 1.00 43.00 C ATOM 484 O LEU A 31 1.191 3.695 -2.155 1.00 65.30 O ATOM 485 CB LEU A 31 1.694 6.850 -1.297 1.00 35.20 C ATOM 486 CG LEU A 31 2.955 7.592 -1.743 1.00 4.51 C ATOM 487 CD1 LEU A 31 3.992 6.613 -2.270 1.00 2.35 C ATOM 488 CD2 LEU A 31 2.615 8.633 -2.798 1.00 44.10 C ATOM 0 H LEU A 31 -0.434 7.626 -2.303 1.00 25.30 H new ATOM 0 HA LEU A 31 1.661 5.923 -3.237 1.00 14.20 H new ATOM 0 HB2 LEU A 31 0.998 7.572 -0.869 1.00 35.20 H new ATOM 0 HB3 LEU A 31 1.962 6.155 -0.501 1.00 35.20 H new ATOM 0 HG LEU A 31 3.377 8.105 -0.879 1.00 4.51 H new ATOM 0 HD11 LEU A 31 4.882 7.159 -2.583 1.00 2.35 H new ATOM 0 HD12 LEU A 31 4.257 5.906 -1.484 1.00 2.35 H new ATOM 0 HD13 LEU A 31 3.581 6.071 -3.122 1.00 2.35 H new ATOM 0 HD21 LEU A 31 3.524 9.151 -3.104 1.00 44.10 H new ATOM 0 HD22 LEU A 31 2.169 8.142 -3.663 1.00 44.10 H new ATOM 0 HD23 LEU A 31 1.908 9.353 -2.385 1.00 44.10 H new ATOM 500 N TYR A 32 -0.559 4.681 -1.141 1.00 32.10 N ATOM 501 CA TYR A 32 -1.077 3.437 -0.584 1.00 74.10 C ATOM 502 C TYR A 32 -1.645 2.541 -1.680 1.00 71.30 C ATOM 503 O TYR A 32 -1.372 1.341 -1.720 1.00 10.10 O ATOM 504 CB TYR A 32 -2.155 3.732 0.461 1.00 32.30 C ATOM 505 CG TYR A 32 -1.618 3.848 1.870 1.00 41.30 C ATOM 506 CD1 TYR A 32 -1.032 2.758 2.502 1.00 22.00 C ATOM 507 CD2 TYR A 32 -1.697 5.047 2.566 1.00 13.20 C ATOM 508 CE1 TYR A 32 -0.539 2.862 3.789 1.00 53.10 C ATOM 509 CE2 TYR A 32 -1.206 5.157 3.854 1.00 74.00 C ATOM 510 CZ TYR A 32 -0.630 4.063 4.461 1.00 51.00 C ATOM 511 OH TYR A 32 -0.141 4.169 5.742 1.00 63.10 O ATOM 0 H TYR A 32 -1.109 5.508 -0.909 1.00 32.10 H new ATOM 0 HA TYR A 32 -0.250 2.912 -0.106 1.00 74.10 H new ATOM 0 HB2 TYR A 32 -2.661 4.661 0.197 1.00 32.30 H new ATOM 0 HB3 TYR A 32 -2.904 2.941 0.431 1.00 32.30 H new ATOM 0 HD1 TYR A 32 -0.961 1.815 1.980 1.00 22.00 H new ATOM 0 HD2 TYR A 32 -2.149 5.907 2.094 1.00 13.20 H new ATOM 0 HE1 TYR A 32 -0.084 2.007 4.266 1.00 53.10 H new ATOM 0 HE2 TYR A 32 -1.274 6.097 4.382 1.00 74.00 H new ATOM 0 HH TYR A 32 -0.282 5.081 6.072 1.00 63.10 H new ATOM 521 N GLN A 33 -2.440 3.131 -2.568 1.00 5.14 N ATOM 522 CA GLN A 33 -3.049 2.385 -3.664 1.00 1.32 C ATOM 523 C GLN A 33 -1.985 1.740 -4.547 1.00 65.10 C ATOM 524 O GLN A 33 -2.191 0.655 -5.092 1.00 62.00 O ATOM 525 CB GLN A 33 -3.933 3.307 -4.505 1.00 60.10 C ATOM 526 CG GLN A 33 -5.333 3.488 -3.941 1.00 32.00 C ATOM 527 CD GLN A 33 -6.417 3.158 -4.950 1.00 51.40 C ATOM 528 OE1 GLN A 33 -6.851 2.011 -5.060 1.00 72.30 O ATOM 529 NE2 GLN A 33 -6.861 4.166 -5.693 1.00 64.30 N ATOM 0 H GLN A 33 -2.677 4.123 -2.550 1.00 5.14 H new ATOM 0 HA GLN A 33 -3.663 1.594 -3.232 1.00 1.32 H new ATOM 0 HB2 GLN A 33 -3.454 4.283 -4.585 1.00 60.10 H new ATOM 0 HB3 GLN A 33 -4.006 2.904 -5.515 1.00 60.10 H new ATOM 0 HG2 GLN A 33 -5.452 2.852 -3.064 1.00 32.00 H new ATOM 0 HG3 GLN A 33 -5.455 4.518 -3.606 1.00 32.00 H new ATOM 0 HE21 GLN A 33 -6.473 5.101 -5.568 1.00 64.30 H new ATOM 0 HE22 GLN A 33 -7.590 4.005 -6.388 1.00 64.30 H new ATOM 538 N HIS A 34 -0.847 2.413 -4.684 1.00 2.10 N ATOM 539 CA HIS A 34 0.247 1.905 -5.502 1.00 64.30 C ATOM 540 C HIS A 34 0.923 0.712 -4.834 1.00 43.10 C ATOM 541 O HIS A 34 1.327 -0.241 -5.502 1.00 21.00 O ATOM 542 CB HIS A 34 1.275 3.010 -5.760 1.00 5.01 C ATOM 543 CG HIS A 34 1.113 3.679 -7.089 1.00 61.10 C ATOM 544 ND1 HIS A 34 1.961 3.454 -8.154 1.00 62.10 N ATOM 545 CD2 HIS A 34 0.193 4.572 -7.527 1.00 42.30 C ATOM 546 CE1 HIS A 34 1.571 4.180 -9.186 1.00 2.32 C ATOM 547 NE2 HIS A 34 0.501 4.866 -8.832 1.00 32.20 N ATOM 0 H HIS A 34 -0.659 3.311 -4.239 1.00 2.10 H new ATOM 0 HA HIS A 34 -0.170 1.575 -6.454 1.00 64.30 H new ATOM 0 HB2 HIS A 34 1.196 3.760 -4.973 1.00 5.01 H new ATOM 0 HB3 HIS A 34 2.277 2.585 -5.696 1.00 5.01 H new ATOM 0 HD2 HIS A 34 -0.629 4.977 -6.956 1.00 42.30 H new ATOM 0 HE1 HIS A 34 2.047 4.207 -10.155 1.00 2.32 H new ATOM 0 HE2 HIS A 34 -0.014 5.511 -9.431 1.00 32.20 H new ATOM 556 N ALA A 35 1.044 0.771 -3.511 1.00 72.20 N ATOM 557 CA ALA A 35 1.672 -0.304 -2.753 1.00 12.20 C ATOM 558 C ALA A 35 0.856 -1.591 -2.836 1.00 3.03 C ATOM 559 O ALA A 35 1.404 -2.690 -2.768 1.00 30.40 O ATOM 560 CB ALA A 35 1.856 0.114 -1.301 1.00 45.30 C ATOM 0 H ALA A 35 0.715 1.552 -2.943 1.00 72.20 H new ATOM 0 HA ALA A 35 2.650 -0.500 -3.192 1.00 12.20 H new ATOM 0 HB1 ALA A 35 2.326 -0.698 -0.746 1.00 45.30 H new ATOM 0 HB2 ALA A 35 2.489 1.000 -1.255 1.00 45.30 H new ATOM 0 HB3 ALA A 35 0.884 0.340 -0.861 1.00 45.30 H new ATOM 566 N VAL A 36 -0.457 -1.445 -2.983 1.00 0.23 N ATOM 567 CA VAL A 36 -1.347 -2.598 -3.074 1.00 33.20 C ATOM 568 C VAL A 36 -1.223 -3.285 -4.429 1.00 11.50 C ATOM 569 O VAL A 36 -1.409 -4.497 -4.540 1.00 51.40 O ATOM 570 CB VAL A 36 -2.816 -2.191 -2.851 1.00 62.20 C ATOM 571 CG1 VAL A 36 -3.701 -3.423 -2.749 1.00 51.40 C ATOM 572 CG2 VAL A 36 -2.948 -1.326 -1.607 1.00 61.40 C ATOM 0 H VAL A 36 -0.928 -0.542 -3.042 1.00 0.23 H new ATOM 0 HA VAL A 36 -1.045 -3.292 -2.290 1.00 33.20 H new ATOM 0 HB VAL A 36 -3.146 -1.605 -3.709 1.00 62.20 H new ATOM 0 HG11 VAL A 36 -4.735 -3.116 -2.592 1.00 51.40 H new ATOM 0 HG12 VAL A 36 -3.630 -3.999 -3.671 1.00 51.40 H new ATOM 0 HG13 VAL A 36 -3.373 -4.038 -1.911 1.00 51.40 H new ATOM 0 HG21 VAL A 36 -3.993 -1.048 -1.466 1.00 61.40 H new ATOM 0 HG22 VAL A 36 -2.600 -1.884 -0.737 1.00 61.40 H new ATOM 0 HG23 VAL A 36 -2.346 -0.425 -1.725 1.00 61.40 H new ATOM 582 N GLU A 37 -0.908 -2.505 -5.458 1.00 10.20 N ATOM 583 CA GLU A 37 -0.761 -3.041 -6.807 1.00 44.30 C ATOM 584 C GLU A 37 0.489 -3.909 -6.918 1.00 74.10 C ATOM 585 O GLU A 37 0.479 -4.947 -7.579 1.00 72.00 O ATOM 586 CB GLU A 37 -0.695 -1.901 -7.825 1.00 2.32 C ATOM 587 CG GLU A 37 -2.053 -1.313 -8.169 1.00 42.40 C ATOM 588 CD GLU A 37 -2.591 -1.822 -9.493 1.00 20.10 C ATOM 589 OE1 GLU A 37 -2.678 -3.056 -9.663 1.00 32.30 O ATOM 590 OE2 GLU A 37 -2.923 -0.987 -10.350 1.00 60.40 O ATOM 0 H GLU A 37 -0.750 -1.500 -5.384 1.00 10.20 H new ATOM 0 HA GLU A 37 -1.631 -3.662 -7.020 1.00 44.30 H new ATOM 0 HB2 GLU A 37 -0.055 -1.111 -7.432 1.00 2.32 H new ATOM 0 HB3 GLU A 37 -0.225 -2.267 -8.738 1.00 2.32 H new ATOM 0 HG2 GLU A 37 -2.761 -1.555 -7.376 1.00 42.40 H new ATOM 0 HG3 GLU A 37 -1.975 -0.226 -8.206 1.00 42.40 H new ATOM 597 N TYR A 38 1.564 -3.475 -6.268 1.00 2.32 N ATOM 598 CA TYR A 38 2.823 -4.211 -6.296 1.00 55.30 C ATOM 599 C TYR A 38 2.696 -5.541 -5.557 1.00 13.10 C ATOM 600 O TYR A 38 3.339 -6.526 -5.920 1.00 51.10 O ATOM 601 CB TYR A 38 3.941 -3.374 -5.672 1.00 35.50 C ATOM 602 CG TYR A 38 4.648 -2.475 -6.660 1.00 53.30 C ATOM 603 CD1 TYR A 38 4.171 -1.199 -6.932 1.00 4.44 C ATOM 604 CD2 TYR A 38 5.793 -2.902 -7.320 1.00 5.31 C ATOM 605 CE1 TYR A 38 4.814 -0.374 -7.836 1.00 14.10 C ATOM 606 CE2 TYR A 38 6.443 -2.083 -8.224 1.00 21.10 C ATOM 607 CZ TYR A 38 5.949 -0.821 -8.479 1.00 1.15 C ATOM 608 OH TYR A 38 6.593 -0.002 -9.378 1.00 55.10 O ATOM 0 H TYR A 38 1.589 -2.618 -5.716 1.00 2.32 H new ATOM 0 HA TYR A 38 3.069 -4.418 -7.338 1.00 55.30 H new ATOM 0 HB2 TYR A 38 3.523 -2.763 -4.872 1.00 35.50 H new ATOM 0 HB3 TYR A 38 4.671 -4.042 -5.214 1.00 35.50 H new ATOM 0 HD1 TYR A 38 3.283 -0.846 -6.429 1.00 4.44 H new ATOM 0 HD2 TYR A 38 6.182 -3.890 -7.124 1.00 5.31 H new ATOM 0 HE1 TYR A 38 4.430 0.615 -8.037 1.00 14.10 H new ATOM 0 HE2 TYR A 38 7.333 -2.430 -8.728 1.00 21.10 H new ATOM 0 HH TYR A 38 7.375 -0.467 -9.742 1.00 55.10 H new ATOM 618 N PHE A 39 1.866 -5.561 -4.521 1.00 10.00 N ATOM 619 CA PHE A 39 1.658 -6.770 -3.731 1.00 71.20 C ATOM 620 C PHE A 39 0.891 -7.818 -4.529 1.00 44.10 C ATOM 621 O PHE A 39 1.242 -8.999 -4.520 1.00 55.10 O ATOM 622 CB PHE A 39 0.903 -6.438 -2.442 1.00 51.50 C ATOM 623 CG PHE A 39 1.805 -6.139 -1.279 1.00 61.30 C ATOM 624 CD1 PHE A 39 2.670 -7.106 -0.790 1.00 3.23 C ATOM 625 CD2 PHE A 39 1.788 -4.893 -0.674 1.00 34.00 C ATOM 626 CE1 PHE A 39 3.501 -6.835 0.280 1.00 11.30 C ATOM 627 CE2 PHE A 39 2.616 -4.616 0.397 1.00 63.40 C ATOM 628 CZ PHE A 39 3.474 -5.588 0.874 1.00 41.20 C ATOM 0 H PHE A 39 1.326 -4.754 -4.208 1.00 10.00 H new ATOM 0 HA PHE A 39 2.635 -7.180 -3.476 1.00 71.20 H new ATOM 0 HB2 PHE A 39 0.256 -5.579 -2.620 1.00 51.50 H new ATOM 0 HB3 PHE A 39 0.256 -7.276 -2.183 1.00 51.50 H new ATOM 0 HD1 PHE A 39 2.694 -8.082 -1.251 1.00 3.23 H new ATOM 0 HD2 PHE A 39 1.120 -4.129 -1.044 1.00 34.00 H new ATOM 0 HE1 PHE A 39 4.171 -7.597 0.651 1.00 11.30 H new ATOM 0 HE2 PHE A 39 2.592 -3.641 0.861 1.00 63.40 H new ATOM 0 HZ PHE A 39 4.123 -5.373 1.710 1.00 41.20 H new ATOM 638 N LEU A 40 -0.159 -7.382 -5.218 1.00 52.20 N ATOM 639 CA LEU A 40 -0.976 -8.284 -6.019 1.00 61.00 C ATOM 640 C LEU A 40 -0.141 -8.960 -7.103 1.00 41.50 C ATOM 641 O LEU A 40 -0.365 -10.120 -7.439 1.00 43.00 O ATOM 642 CB LEU A 40 -2.143 -7.521 -6.654 1.00 11.30 C ATOM 643 CG LEU A 40 -3.520 -7.847 -6.073 1.00 32.30 C ATOM 644 CD1 LEU A 40 -3.875 -9.304 -6.325 1.00 51.10 C ATOM 645 CD2 LEU A 40 -3.556 -7.537 -4.584 1.00 63.40 C ATOM 0 H LEU A 40 -0.463 -6.409 -5.237 1.00 52.20 H new ATOM 0 HA LEU A 40 -1.373 -9.056 -5.360 1.00 61.00 H new ATOM 0 HB2 LEU A 40 -1.962 -6.452 -6.543 1.00 11.30 H new ATOM 0 HB3 LEU A 40 -2.157 -7.732 -7.723 1.00 11.30 H new ATOM 0 HG LEU A 40 -4.261 -7.223 -6.572 1.00 32.30 H new ATOM 0 HD11 LEU A 40 -4.858 -9.517 -5.905 1.00 51.10 H new ATOM 0 HD12 LEU A 40 -3.890 -9.494 -7.398 1.00 51.10 H new ATOM 0 HD13 LEU A 40 -3.132 -9.946 -5.853 1.00 51.10 H new ATOM 0 HD21 LEU A 40 -4.543 -7.775 -4.187 1.00 63.40 H new ATOM 0 HD22 LEU A 40 -2.804 -8.135 -4.070 1.00 63.40 H new ATOM 0 HD23 LEU A 40 -3.347 -6.479 -4.428 1.00 63.40 H new ATOM 657 N HIS A 41 0.822 -8.223 -7.648 1.00 24.30 N ATOM 658 CA HIS A 41 1.688 -8.751 -8.696 1.00 31.50 C ATOM 659 C HIS A 41 2.692 -9.747 -8.123 1.00 1.43 C ATOM 660 O HIS A 41 3.107 -10.680 -8.805 1.00 24.20 O ATOM 661 CB HIS A 41 2.428 -7.611 -9.397 1.00 54.40 C ATOM 662 CG HIS A 41 3.138 -8.037 -10.640 1.00 12.30 C ATOM 663 ND1 HIS A 41 4.124 -8.945 -10.830 1.00 5.11 N flip ATOM 664 CD2 HIS A 41 2.858 -7.511 -11.880 1.00 25.40 C flip ATOM 665 CE1 HIS A 41 4.418 -8.951 -12.170 1.00 21.20 C flip ATOM 666 NE2 HIS A 41 3.639 -8.077 -12.790 1.00 23.20 N flip ATOM 0 H HIS A 41 1.022 -7.259 -7.381 1.00 24.30 H new ATOM 0 HA HIS A 41 1.062 -9.270 -9.422 1.00 31.50 H new ATOM 0 HB2 HIS A 41 1.715 -6.825 -9.646 1.00 54.40 H new ATOM 0 HB3 HIS A 41 3.151 -7.178 -8.705 1.00 54.40 H new ATOM 0 HD1 HIS A 41 4.566 -9.518 -10.111 1.00 5.11 H new ATOM 0 HD2 HIS A 41 2.116 -6.753 -12.081 1.00 25.40 H new ATOM 0 HE1 HIS A 41 5.166 -9.570 -12.644 1.00 21.20 H new ATOM 675 N ALA A 42 3.081 -9.537 -6.870 1.00 73.40 N ATOM 676 CA ALA A 42 4.038 -10.410 -6.210 1.00 20.30 C ATOM 677 C ALA A 42 3.399 -11.750 -5.842 1.00 44.20 C ATOM 678 O ALA A 42 4.066 -12.780 -5.823 1.00 22.20 O ATOM 679 CB ALA A 42 4.604 -9.742 -4.969 1.00 25.10 C ATOM 0 H ALA A 42 2.746 -8.767 -6.292 1.00 73.40 H new ATOM 0 HA ALA A 42 4.852 -10.600 -6.909 1.00 20.30 H new ATOM 0 HB1 ALA A 42 5.318 -10.411 -4.489 1.00 25.10 H new ATOM 0 HB2 ALA A 42 5.107 -8.817 -5.251 1.00 25.10 H new ATOM 0 HB3 ALA A 42 3.794 -9.518 -4.275 1.00 25.10 H new ATOM 685 N ILE A 43 2.103 -11.720 -5.551 1.00 61.30 N ATOM 686 CA ILE A 43 1.375 -12.930 -5.181 1.00 53.30 C ATOM 687 C ILE A 43 1.085 -13.790 -6.404 1.00 42.10 C ATOM 688 O ILE A 43 1.320 -15.000 -6.392 1.00 55.40 O ATOM 689 CB ILE A 43 0.046 -12.590 -4.476 1.00 15.50 C ATOM 690 CG1 ILE A 43 0.283 -11.600 -3.331 1.00 13.30 C ATOM 691 CG2 ILE A 43 -0.616 -13.860 -3.960 1.00 52.50 C ATOM 692 CD1 ILE A 43 -0.811 -10.570 -3.191 1.00 45.40 C ATOM 0 H ILE A 43 1.535 -10.873 -5.564 1.00 61.30 H new ATOM 0 HA ILE A 43 2.011 -13.487 -4.492 1.00 53.30 H new ATOM 0 HB ILE A 43 -0.622 -12.121 -5.199 1.00 15.50 H new ATOM 0 HG12 ILE A 43 0.373 -12.153 -2.396 1.00 13.30 H new ATOM 0 HG13 ILE A 43 1.233 -11.090 -3.492 1.00 13.30 H new ATOM 0 HG21 ILE A 43 -1.553 -13.606 -3.464 1.00 52.50 H new ATOM 0 HG22 ILE A 43 -0.817 -14.531 -4.795 1.00 52.50 H new ATOM 0 HG23 ILE A 43 0.048 -14.354 -3.250 1.00 52.50 H new ATOM 0 HD11 ILE A 43 -0.578 -9.902 -2.361 1.00 45.40 H new ATOM 0 HD12 ILE A 43 -0.886 -9.992 -4.112 1.00 45.40 H new ATOM 0 HD13 ILE A 43 -1.760 -11.071 -2.998 1.00 45.40 H new ATOM 704 N LYS A 44 0.573 -13.160 -7.459 1.00 71.10 N ATOM 705 CA LYS A 44 0.249 -13.880 -8.689 1.00 73.20 C ATOM 706 C LYS A 44 1.488 -14.550 -9.274 1.00 2.44 C ATOM 707 O LYS A 44 1.485 -15.750 -9.550 1.00 61.30 O ATOM 708 CB LYS A 44 -0.362 -12.920 -9.713 1.00 11.20 C ATOM 709 CG LYS A 44 -1.860 -13.100 -9.901 1.00 54.10 C ATOM 710 CD LYS A 44 -2.365 -12.350 -11.120 1.00 41.00 C ATOM 711 CE LYS A 44 -3.376 -13.180 -11.900 1.00 51.40 C ATOM 712 NZ LYS A 44 -3.871 -12.460 -13.100 1.00 34.00 N ATOM 0 H LYS A 44 0.375 -12.160 -7.488 1.00 71.10 H new ATOM 0 HA LYS A 44 -0.476 -14.657 -8.448 1.00 73.20 H new ATOM 0 HB2 LYS A 44 -0.165 -11.895 -9.400 1.00 11.20 H new ATOM 0 HB3 LYS A 44 0.135 -13.061 -10.673 1.00 11.20 H new ATOM 0 HG2 LYS A 44 -2.089 -14.161 -10.005 1.00 54.10 H new ATOM 0 HG3 LYS A 44 -2.384 -12.746 -9.013 1.00 54.10 H new ATOM 0 HD2 LYS A 44 -2.824 -11.412 -10.808 1.00 41.00 H new ATOM 0 HD3 LYS A 44 -1.525 -12.094 -11.766 1.00 41.00 H new ATOM 0 HE2 LYS A 44 -2.917 -14.121 -12.204 1.00 51.40 H new ATOM 0 HE3 LYS A 44 -4.217 -13.430 -11.253 1.00 51.40 H new ATOM 0 HZ1 LYS A 44 -4.557 -13.057 -13.605 1.00 34.00 H new ATOM 0 HZ2 LYS A 44 -4.332 -11.574 -12.808 1.00 34.00 H new ATOM 0 HZ3 LYS A 44 -3.072 -12.243 -13.729 1.00 34.00 H new ATOM 726 N TYR A 45 2.547 -13.770 -9.461 1.00 74.20 N ATOM 727 CA TYR A 45 3.792 -14.290 -10.010 1.00 3.42 C ATOM 728 C TYR A 45 4.545 -15.120 -8.981 1.00 64.20 C ATOM 729 O TYR A 45 4.740 -16.320 -9.158 1.00 72.10 O ATOM 730 CB TYR A 45 4.675 -13.140 -10.500 1.00 53.20 C ATOM 731 CG TYR A 45 4.242 -12.560 -11.830 1.00 15.50 C ATOM 732 CD1 TYR A 45 2.939 -12.120 -12.030 1.00 54.00 C ATOM 733 CD2 TYR A 45 5.137 -12.460 -12.890 1.00 44.10 C ATOM 734 CE1 TYR A 45 2.540 -11.600 -13.240 1.00 73.00 C ATOM 735 CE2 TYR A 45 4.746 -11.940 -14.100 1.00 4.33 C ATOM 736 CZ TYR A 45 3.447 -11.510 -14.280 1.00 63.20 C ATOM 737 OH TYR A 45 3.053 -10.990 -15.490 1.00 21.20 O ATOM 0 H TYR A 45 2.567 -12.774 -9.240 1.00 74.20 H new ATOM 0 HA TYR A 45 3.543 -14.936 -10.852 1.00 3.42 H new ATOM 0 HB2 TYR A 45 4.673 -12.348 -9.751 1.00 53.20 H new ATOM 0 HB3 TYR A 45 5.702 -13.494 -10.586 1.00 53.20 H new ATOM 0 HD1 TYR A 45 2.227 -12.187 -11.221 1.00 54.00 H new ATOM 0 HD2 TYR A 45 6.155 -12.796 -12.760 1.00 44.10 H new ATOM 0 HE1 TYR A 45 1.523 -11.264 -13.377 1.00 73.00 H new ATOM 0 HE2 TYR A 45 5.456 -11.868 -14.911 1.00 4.33 H new ATOM 0 HH TYR A 45 3.811 -10.997 -16.111 1.00 21.20 H new ATOM 747 N GLU A 46 4.968 -14.470 -7.900 1.00 62.40 N ATOM 748 CA GLU A 46 5.701 -15.150 -6.838 1.00 53.40 C ATOM 749 C GLU A 46 4.757 -15.610 -5.733 1.00 13.10 C ATOM 750 O GLU A 46 4.598 -14.940 -4.715 1.00 71.10 O ATOM 751 CB GLU A 46 6.771 -14.220 -6.256 1.00 65.10 C ATOM 752 CG GLU A 46 8.022 -14.120 -7.114 1.00 32.20 C ATOM 753 CD GLU A 46 9.274 -14.560 -6.376 1.00 42.40 C ATOM 754 OE1 GLU A 46 9.564 -15.770 -6.365 1.00 62.10 O ATOM 755 OE2 GLU A 46 9.962 -13.690 -5.808 1.00 55.20 O ATOM 0 H GLU A 46 4.816 -13.475 -7.737 1.00 62.40 H new ATOM 0 HA GLU A 46 6.183 -16.028 -7.267 1.00 53.40 H new ATOM 0 HB2 GLU A 46 6.346 -13.224 -6.131 1.00 65.10 H new ATOM 0 HB3 GLU A 46 7.049 -14.575 -5.264 1.00 65.10 H new ATOM 0 HG2 GLU A 46 7.896 -14.734 -8.006 1.00 32.20 H new ATOM 0 HG3 GLU A 46 8.146 -13.091 -7.450 1.00 32.20 H new ATOM 762 N ALA A 47 4.133 -16.770 -5.940 1.00 54.40 N ATOM 763 CA ALA A 47 3.206 -17.320 -4.960 1.00 50.20 C ATOM 764 C ALA A 47 3.935 -18.190 -3.943 1.00 34.40 C ATOM 765 O ALA A 47 4.466 -19.250 -4.285 1.00 71.40 O ATOM 766 CB ALA A 47 2.116 -18.120 -5.659 1.00 45.50 C ATOM 0 H ALA A 47 4.254 -17.343 -6.775 1.00 54.40 H new ATOM 0 HA ALA A 47 2.746 -16.490 -4.424 1.00 50.20 H new ATOM 0 HB1 ALA A 47 1.429 -18.526 -4.916 1.00 45.50 H new ATOM 0 HB2 ALA A 47 1.569 -17.470 -6.342 1.00 45.50 H new ATOM 0 HB3 ALA A 47 2.568 -18.938 -6.220 1.00 45.50 H new ATOM 772 N HIS A 48 3.956 -17.740 -2.693 1.00 54.10 N ATOM 773 CA HIS A 48 4.620 -18.480 -1.626 1.00 3.10 C ATOM 774 C HIS A 48 3.640 -19.420 -0.923 1.00 75.10 C ATOM 775 O HIS A 48 2.519 -19.620 -1.389 1.00 2.15 O ATOM 776 CB HIS A 48 5.239 -17.510 -0.616 1.00 45.30 C ATOM 777 CG HIS A 48 6.735 -17.470 -0.665 1.00 13.40 C ATOM 778 ND1 HIS A 48 7.536 -18.320 0.076 1.00 23.10 N ATOM 779 CD2 HIS A 48 7.579 -16.690 -1.375 1.00 3.45 C ATOM 780 CE1 HIS A 48 8.805 -18.050 -0.175 1.00 22.20 C ATOM 781 NE2 HIS A 48 8.858 -17.060 -1.052 1.00 63.30 N ATOM 0 H HIS A 48 3.521 -16.867 -2.394 1.00 54.10 H new ATOM 0 HA HIS A 48 5.412 -19.083 -2.070 1.00 3.10 H new ATOM 0 HB2 HIS A 48 4.851 -16.509 -0.801 1.00 45.30 H new ATOM 0 HB3 HIS A 48 4.924 -17.794 0.388 1.00 45.30 H new ATOM 0 HD2 HIS A 48 7.296 -15.915 -2.072 1.00 3.45 H new ATOM 0 HE1 HIS A 48 9.655 -18.552 0.262 1.00 22.20 H new ATOM 0 HE2 HIS A 48 9.710 -16.642 -1.426 1.00 63.30 H new ATOM 790 N SER A 49 4.071 -19.980 0.200 1.00 44.10 N ATOM 791 CA SER A 49 3.231 -20.900 0.965 1.00 74.10 C ATOM 792 C SER A 49 1.986 -20.190 1.485 1.00 60.10 C ATOM 793 O SER A 49 1.873 -18.960 1.399 1.00 33.40 O ATOM 794 CB SER A 49 4.021 -21.490 2.134 1.00 15.00 C ATOM 795 OG SER A 49 4.778 -22.610 1.721 1.00 2.20 O ATOM 0 H SER A 49 4.994 -19.816 0.602 1.00 44.10 H new ATOM 0 HA SER A 49 2.919 -21.707 0.302 1.00 74.10 H new ATOM 0 HB2 SER A 49 4.685 -20.731 2.549 1.00 15.00 H new ATOM 0 HB3 SER A 49 3.336 -21.783 2.929 1.00 15.00 H new ATOM 0 HG SER A 49 5.276 -22.968 2.485 1.00 2.20 H new ATOM 801 N ASP A 50 1.051 -20.960 2.025 1.00 44.00 N ATOM 802 CA ASP A 50 -0.190 -20.410 2.560 1.00 35.40 C ATOM 803 C ASP A 50 0.096 -19.390 3.658 1.00 73.30 C ATOM 804 O ASP A 50 -0.589 -18.370 3.766 1.00 33.00 O ATOM 805 CB ASP A 50 -1.076 -21.530 3.107 1.00 63.10 C ATOM 806 CG ASP A 50 -1.865 -22.230 2.017 1.00 53.20 C ATOM 807 OD1 ASP A 50 -1.304 -22.440 0.922 1.00 53.30 O ATOM 808 OD2 ASP A 50 -3.046 -22.560 2.258 1.00 22.10 O ATOM 0 H ASP A 50 1.128 -21.974 2.105 1.00 44.00 H new ATOM 0 HA ASP A 50 -0.714 -19.906 1.748 1.00 35.40 H new ATOM 0 HB2 ASP A 50 -0.455 -22.259 3.627 1.00 63.10 H new ATOM 0 HB3 ASP A 50 -1.766 -21.117 3.843 1.00 63.10 H new ATOM 813 N LYS A 51 1.108 -19.670 4.472 1.00 53.30 N ATOM 814 CA LYS A 51 1.484 -18.780 5.563 1.00 21.20 C ATOM 815 C LYS A 51 1.842 -17.390 5.036 1.00 63.50 C ATOM 816 O LYS A 51 1.347 -16.380 5.535 1.00 11.50 O ATOM 817 CB LYS A 51 2.664 -19.360 6.342 1.00 62.30 C ATOM 818 CG LYS A 51 2.759 -18.860 7.773 1.00 3.23 C ATOM 819 CD LYS A 51 2.500 -19.970 8.778 1.00 62.00 C ATOM 820 CE LYS A 51 1.012 -20.180 9.004 1.00 63.10 C ATOM 821 NZ LYS A 51 0.679 -21.620 9.210 1.00 60.40 N ATOM 0 H LYS A 51 1.684 -20.509 4.396 1.00 53.30 H new ATOM 0 HA LYS A 51 0.628 -18.687 6.231 1.00 21.20 H new ATOM 0 HB2 LYS A 51 2.582 -20.447 6.351 1.00 62.30 H new ATOM 0 HB3 LYS A 51 3.588 -19.115 5.819 1.00 62.30 H new ATOM 0 HG2 LYS A 51 3.749 -18.438 7.945 1.00 3.23 H new ATOM 0 HG3 LYS A 51 2.039 -18.056 7.926 1.00 3.23 H new ATOM 0 HD2 LYS A 51 2.949 -20.897 8.422 1.00 62.00 H new ATOM 0 HD3 LYS A 51 2.982 -19.725 9.725 1.00 62.00 H new ATOM 0 HE2 LYS A 51 0.692 -19.605 9.873 1.00 63.10 H new ATOM 0 HE3 LYS A 51 0.457 -19.798 8.147 1.00 63.10 H new ATOM 0 HZ1 LYS A 51 -0.345 -21.721 9.361 1.00 60.40 H new ATOM 0 HZ2 LYS A 51 0.961 -22.165 8.370 1.00 60.40 H new ATOM 0 HZ3 LYS A 51 1.189 -21.978 10.043 1.00 60.40 H new ATOM 835 N ALA A 52 2.708 -17.350 4.029 1.00 33.20 N ATOM 836 CA ALA A 52 3.136 -16.090 3.437 1.00 40.10 C ATOM 837 C ALA A 52 2.035 -15.490 2.571 1.00 72.30 C ATOM 838 O ALA A 52 1.871 -14.270 2.522 1.00 34.40 O ATOM 839 CB ALA A 52 4.401 -16.300 2.617 1.00 53.20 C ATOM 0 H ALA A 52 3.127 -18.178 3.606 1.00 33.20 H new ATOM 0 HA ALA A 52 3.349 -15.388 4.244 1.00 40.10 H new ATOM 0 HB1 ALA A 52 4.712 -15.352 2.179 1.00 53.20 H new ATOM 0 HB2 ALA A 52 5.194 -16.679 3.262 1.00 53.20 H new ATOM 0 HB3 ALA A 52 4.204 -17.020 1.822 1.00 53.20 H new ATOM 845 N LYS A 53 1.285 -16.350 1.889 1.00 25.30 N ATOM 846 CA LYS A 53 0.201 -15.890 1.024 1.00 41.10 C ATOM 847 C LYS A 53 -0.891 -15.200 1.833 1.00 62.40 C ATOM 848 O LYS A 53 -1.413 -14.160 1.426 1.00 11.50 O ATOM 849 CB LYS A 53 -0.392 -17.070 0.254 1.00 42.40 C ATOM 850 CG LYS A 53 -0.873 -16.710 -1.141 1.00 23.10 C ATOM 851 CD LYS A 53 -1.020 -17.940 -2.019 1.00 65.50 C ATOM 852 CE LYS A 53 -2.244 -17.840 -2.916 1.00 25.40 C ATOM 853 NZ LYS A 53 -3.416 -18.560 -2.337 1.00 41.00 N ATOM 0 H LYS A 53 1.405 -17.362 1.917 1.00 25.30 H new ATOM 0 HA LYS A 53 0.614 -15.168 0.319 1.00 41.10 H new ATOM 0 HB2 LYS A 53 0.359 -17.857 0.178 1.00 42.40 H new ATOM 0 HB3 LYS A 53 -1.227 -17.480 0.822 1.00 42.40 H new ATOM 0 HG2 LYS A 53 -1.831 -16.194 -1.074 1.00 23.10 H new ATOM 0 HG3 LYS A 53 -0.169 -16.016 -1.601 1.00 23.10 H new ATOM 0 HD2 LYS A 53 -0.127 -18.060 -2.632 1.00 65.50 H new ATOM 0 HD3 LYS A 53 -1.098 -18.829 -1.393 1.00 65.50 H new ATOM 0 HE2 LYS A 53 -2.500 -16.791 -3.066 1.00 25.40 H new ATOM 0 HE3 LYS A 53 -2.011 -18.255 -3.897 1.00 25.40 H new ATOM 0 HZ1 LYS A 53 -4.230 -18.469 -2.977 1.00 41.00 H new ATOM 0 HZ2 LYS A 53 -3.181 -19.566 -2.217 1.00 41.00 H new ATOM 0 HZ3 LYS A 53 -3.655 -18.148 -1.413 1.00 41.00 H new ATOM 867 N GLU A 54 -1.230 -15.780 2.978 1.00 65.30 N ATOM 868 CA GLU A 54 -2.260 -15.220 3.844 1.00 75.40 C ATOM 869 C GLU A 54 -1.802 -13.900 4.452 1.00 44.10 C ATOM 870 O GLU A 54 -2.594 -12.970 4.615 1.00 40.50 O ATOM 871 CB GLU A 54 -2.615 -16.210 4.956 1.00 5.22 C ATOM 872 CG GLU A 54 -4.107 -16.290 5.242 1.00 71.40 C ATOM 873 CD GLU A 54 -4.660 -17.690 5.056 1.00 61.40 C ATOM 874 OE1 GLU A 54 -4.188 -18.610 5.753 1.00 54.00 O ATOM 875 OE2 GLU A 54 -5.564 -17.870 4.212 1.00 53.00 O ATOM 0 H GLU A 54 -0.806 -16.639 3.329 1.00 65.30 H new ATOM 0 HA GLU A 54 -3.146 -15.032 3.237 1.00 75.40 H new ATOM 0 HB2 GLU A 54 -2.252 -17.200 4.680 1.00 5.22 H new ATOM 0 HB3 GLU A 54 -2.093 -15.922 5.868 1.00 5.22 H new ATOM 0 HG2 GLU A 54 -4.296 -15.961 6.264 1.00 71.40 H new ATOM 0 HG3 GLU A 54 -4.637 -15.603 4.583 1.00 71.40 H new ATOM 882 N SER A 55 -0.517 -13.820 4.785 1.00 30.30 N ATOM 883 CA SER A 55 0.047 -12.610 5.375 1.00 61.10 C ATOM 884 C SER A 55 -0.030 -11.440 4.403 1.00 64.50 C ATOM 885 O SER A 55 -0.336 -10.310 4.796 1.00 70.40 O ATOM 886 CB SER A 55 1.501 -12.850 5.788 1.00 3.35 C ATOM 887 OG SER A 55 1.766 -12.310 7.068 1.00 60.30 O ATOM 0 H SER A 55 0.153 -14.578 4.656 1.00 30.30 H new ATOM 0 HA SER A 55 -0.540 -12.361 6.259 1.00 61.10 H new ATOM 0 HB2 SER A 55 1.709 -13.920 5.792 1.00 3.35 H new ATOM 0 HB3 SER A 55 2.169 -12.398 5.055 1.00 3.35 H new ATOM 0 HG SER A 55 2.701 -12.479 7.307 1.00 60.30 H new ATOM 893 N ILE A 56 0.250 -11.710 3.133 1.00 40.30 N ATOM 894 CA ILE A 56 0.215 -10.680 2.103 1.00 71.30 C ATOM 895 C ILE A 56 -1.218 -10.250 1.803 1.00 44.30 C ATOM 896 O ILE A 56 -1.507 -9.058 1.689 1.00 20.20 O ATOM 897 CB ILE A 56 0.878 -11.160 0.799 1.00 64.40 C ATOM 898 CG1 ILE A 56 2.263 -11.740 1.088 1.00 63.40 C ATOM 899 CG2 ILE A 56 0.977 -10.020 -0.203 1.00 63.30 C ATOM 900 CD1 ILE A 56 2.629 -12.910 0.193 1.00 65.00 C ATOM 0 H ILE A 56 0.505 -12.637 2.792 1.00 40.30 H new ATOM 0 HA ILE A 56 0.774 -9.829 2.492 1.00 71.30 H new ATOM 0 HB ILE A 56 0.257 -11.944 0.365 1.00 64.40 H new ATOM 0 HG12 ILE A 56 3.009 -10.954 0.969 1.00 63.40 H new ATOM 0 HG13 ILE A 56 2.303 -12.062 2.128 1.00 63.40 H new ATOM 0 HG21 ILE A 56 1.448 -10.379 -1.118 1.00 63.30 H new ATOM 0 HG22 ILE A 56 -0.022 -9.648 -0.431 1.00 63.30 H new ATOM 0 HG23 ILE A 56 1.576 -9.214 0.221 1.00 63.30 H new ATOM 0 HD11 ILE A 56 3.624 -13.271 0.454 1.00 65.00 H new ATOM 0 HD12 ILE A 56 1.905 -13.713 0.329 1.00 65.00 H new ATOM 0 HD13 ILE A 56 2.622 -12.588 -0.848 1.00 65.00 H new ATOM 912 N ARG A 57 -2.110 -11.220 1.673 1.00 13.50 N ATOM 913 CA ARG A 57 -3.512 -10.940 1.383 1.00 40.10 C ATOM 914 C ARG A 57 -4.139 -10.090 2.479 1.00 53.20 C ATOM 915 O ARG A 57 -4.786 -9.082 2.197 1.00 51.00 O ATOM 916 CB ARG A 57 -4.292 -12.250 1.232 1.00 3.12 C ATOM 917 CG ARG A 57 -5.403 -12.180 0.197 1.00 53.30 C ATOM 918 CD ARG A 57 -4.895 -12.540 -1.190 1.00 61.30 C ATOM 919 NE ARG A 57 -5.975 -12.590 -2.172 1.00 20.00 N ATOM 920 CZ ARG A 57 -6.534 -11.510 -2.716 1.00 64.40 C ATOM 921 NH1 ARG A 57 -6.120 -10.300 -2.374 1.00 72.20 N ATOM 922 NH2 ARG A 57 -7.510 -11.650 -3.603 1.00 12.20 N ATOM 0 H ARG A 57 -1.889 -12.212 1.764 1.00 13.50 H new ATOM 0 HA ARG A 57 -3.558 -10.383 0.447 1.00 40.10 H new ATOM 0 HB2 ARG A 57 -3.600 -13.046 0.957 1.00 3.12 H new ATOM 0 HB3 ARG A 57 -4.722 -12.521 2.196 1.00 3.12 H new ATOM 0 HG2 ARG A 57 -6.208 -12.859 0.479 1.00 53.30 H new ATOM 0 HG3 ARG A 57 -5.825 -11.175 0.182 1.00 53.30 H new ATOM 0 HD2 ARG A 57 -4.152 -11.808 -1.505 1.00 61.30 H new ATOM 0 HD3 ARG A 57 -4.394 -13.507 -1.153 1.00 61.30 H new ATOM 0 HE ARG A 57 -6.322 -13.506 -2.458 1.00 20.00 H new ATOM 0 HH11 ARG A 57 -5.370 -10.192 -1.691 1.00 72.20 H new ATOM 0 HH12 ARG A 57 -6.551 -9.476 -2.793 1.00 72.20 H new ATOM 0 HH21 ARG A 57 -7.830 -12.582 -3.866 1.00 12.20 H new ATOM 0 HH22 ARG A 57 -7.941 -10.826 -4.022 1.00 12.20 H new ATOM 936 N ALA A 58 -3.946 -10.500 3.728 1.00 45.20 N ATOM 937 CA ALA A 58 -4.496 -9.773 4.865 1.00 13.20 C ATOM 938 C ALA A 58 -3.914 -8.365 4.954 1.00 61.20 C ATOM 939 O ALA A 58 -4.567 -7.442 5.440 1.00 42.00 O ATOM 940 CB ALA A 58 -4.235 -10.530 6.155 1.00 32.40 C ATOM 0 H ALA A 58 -3.412 -11.333 3.978 1.00 45.20 H new ATOM 0 HA ALA A 58 -5.572 -9.686 4.717 1.00 13.20 H new ATOM 0 HB1 ALA A 58 -4.652 -9.973 6.994 1.00 32.40 H new ATOM 0 HB2 ALA A 58 -4.704 -11.512 6.102 1.00 32.40 H new ATOM 0 HB3 ALA A 58 -3.161 -10.649 6.296 1.00 32.40 H new ATOM 946 N LYS A 59 -2.681 -8.209 4.482 1.00 23.40 N ATOM 947 CA LYS A 59 -2.011 -6.914 4.510 1.00 13.20 C ATOM 948 C LYS A 59 -2.662 -5.939 3.536 1.00 52.20 C ATOM 949 O LYS A 59 -2.804 -4.752 3.831 1.00 22.30 O ATOM 950 CB LYS A 59 -0.528 -7.078 4.170 1.00 1.21 C ATOM 951 CG LYS A 59 0.321 -7.526 5.349 1.00 44.10 C ATOM 952 CD LYS A 59 1.015 -6.351 6.016 1.00 61.20 C ATOM 953 CE LYS A 59 1.426 -6.680 7.443 1.00 34.10 C ATOM 954 NZ LYS A 59 2.858 -6.360 7.696 1.00 53.10 N ATOM 0 H LYS A 59 -2.126 -8.963 4.076 1.00 23.40 H new ATOM 0 HA LYS A 59 -2.105 -6.507 5.517 1.00 13.20 H new ATOM 0 HB2 LYS A 59 -0.427 -7.804 3.364 1.00 1.21 H new ATOM 0 HB3 LYS A 59 -0.143 -6.130 3.795 1.00 1.21 H new ATOM 0 HG2 LYS A 59 -0.308 -8.039 6.077 1.00 44.10 H new ATOM 0 HG3 LYS A 59 1.067 -8.245 5.009 1.00 44.10 H new ATOM 0 HD2 LYS A 59 1.896 -6.072 5.438 1.00 61.20 H new ATOM 0 HD3 LYS A 59 0.349 -5.488 6.018 1.00 61.20 H new ATOM 0 HE2 LYS A 59 0.801 -6.121 8.139 1.00 34.10 H new ATOM 0 HE3 LYS A 59 1.251 -7.738 7.636 1.00 34.10 H new ATOM 0 HZ1 LYS A 59 3.099 -6.599 8.679 1.00 53.10 H new ATOM 0 HZ2 LYS A 59 3.457 -6.912 7.049 1.00 53.10 H new ATOM 0 HZ3 LYS A 59 3.020 -5.345 7.536 1.00 53.10 H new ATOM 968 N CYS A 60 -3.056 -6.446 2.372 1.00 22.00 N ATOM 969 CA CYS A 60 -3.691 -5.618 1.352 1.00 33.30 C ATOM 970 C CYS A 60 -5.048 -5.109 1.827 1.00 13.20 C ATOM 971 O CYS A 60 -5.461 -4.000 1.484 1.00 13.10 O ATOM 972 CB CYS A 60 -3.856 -6.409 0.054 1.00 14.10 C ATOM 973 SG CYS A 60 -2.299 -6.783 -0.785 1.00 43.20 S ATOM 0 H CYS A 60 -2.947 -7.426 2.111 1.00 22.00 H new ATOM 0 HA CYS A 60 -3.047 -4.758 1.167 1.00 33.30 H new ATOM 0 HB2 CYS A 60 -4.372 -7.344 0.274 1.00 14.10 H new ATOM 0 HB3 CYS A 60 -4.495 -5.844 -0.624 1.00 14.10 H new ATOM 0 HG CYS A 60 -1.654 -7.694 -0.118 1.00 43.20 H new ATOM 979 N VAL A 61 -5.739 -5.925 2.614 1.00 15.50 N ATOM 980 CA VAL A 61 -7.052 -5.558 3.133 1.00 43.10 C ATOM 981 C VAL A 61 -6.960 -4.359 4.072 1.00 72.10 C ATOM 982 O VAL A 61 -7.830 -3.489 4.069 1.00 23.00 O ATOM 983 CB VAL A 61 -7.708 -6.732 3.884 1.00 53.40 C ATOM 984 CG1 VAL A 61 -9.149 -6.400 4.242 1.00 54.30 C ATOM 985 CG2 VAL A 61 -7.639 -8.003 3.052 1.00 33.00 C ATOM 0 H VAL A 61 -5.412 -6.846 2.907 1.00 15.50 H new ATOM 0 HA VAL A 61 -7.667 -5.296 2.273 1.00 43.10 H new ATOM 0 HB VAL A 61 -7.157 -6.899 4.810 1.00 53.40 H new ATOM 0 HG11 VAL A 61 -9.595 -7.241 4.772 1.00 54.30 H new ATOM 0 HG12 VAL A 61 -9.171 -5.516 4.880 1.00 54.30 H new ATOM 0 HG13 VAL A 61 -9.714 -6.204 3.331 1.00 54.30 H new ATOM 0 HG21 VAL A 61 -8.107 -8.822 3.599 1.00 33.00 H new ATOM 0 HG22 VAL A 61 -8.164 -7.849 2.109 1.00 33.00 H new ATOM 0 HG23 VAL A 61 -6.597 -8.250 2.851 1.00 33.00 H new ATOM 995 N GLN A 62 -5.901 -4.321 4.875 1.00 71.40 N ATOM 996 CA GLN A 62 -5.698 -3.229 5.820 1.00 3.20 C ATOM 997 C GLN A 62 -5.234 -1.964 5.105 1.00 62.40 C ATOM 998 O GLN A 62 -5.612 -0.854 5.481 1.00 41.30 O ATOM 999 CB GLN A 62 -4.673 -3.633 6.882 1.00 31.20 C ATOM 1000 CG GLN A 62 -4.861 -2.918 8.211 1.00 51.10 C ATOM 1001 CD GLN A 62 -5.120 -3.875 9.358 1.00 14.40 C ATOM 1002 OE1 GLN A 62 -4.203 -4.529 9.856 1.00 12.40 O ATOM 1003 NE2 GLN A 62 -6.375 -3.962 9.785 1.00 25.20 N ATOM 0 H GLN A 62 -5.171 -5.033 4.890 1.00 71.40 H new ATOM 0 HA GLN A 62 -6.652 -3.019 6.303 1.00 3.20 H new ATOM 0 HB2 GLN A 62 -4.736 -4.709 7.045 1.00 31.20 H new ATOM 0 HB3 GLN A 62 -3.671 -3.426 6.506 1.00 31.20 H new ATOM 0 HG2 GLN A 62 -3.972 -2.327 8.430 1.00 51.10 H new ATOM 0 HG3 GLN A 62 -5.695 -2.221 8.129 1.00 51.10 H new ATOM 0 HE21 GLN A 62 -7.104 -3.402 9.343 1.00 25.20 H new ATOM 0 HE22 GLN A 62 -6.610 -4.589 10.554 1.00 25.20 H new ATOM 1012 N TYR A 63 -4.412 -2.138 4.077 1.00 71.50 N ATOM 1013 CA TYR A 63 -3.894 -1.009 3.312 1.00 70.20 C ATOM 1014 C TYR A 63 -4.991 -0.370 2.466 1.00 75.50 C ATOM 1015 O TYR A 63 -5.020 0.848 2.286 1.00 62.40 O ATOM 1016 CB TYR A 63 -2.739 -1.460 2.417 1.00 63.00 C ATOM 1017 CG TYR A 63 -1.443 -1.675 3.164 1.00 61.40 C ATOM 1018 CD1 TYR A 63 -0.856 -0.645 3.889 1.00 34.40 C ATOM 1019 CD2 TYR A 63 -0.804 -2.910 3.146 1.00 65.10 C ATOM 1020 CE1 TYR A 63 0.329 -0.838 4.573 1.00 72.50 C ATOM 1021 CE2 TYR A 63 0.380 -3.110 3.828 1.00 73.20 C ATOM 1022 CZ TYR A 63 0.943 -2.072 4.539 1.00 51.40 C ATOM 1023 OH TYR A 63 2.122 -2.268 5.219 1.00 34.50 O ATOM 0 H TYR A 63 -4.089 -3.050 3.753 1.00 71.50 H new ATOM 0 HA TYR A 63 -3.528 -0.263 4.018 1.00 70.20 H new ATOM 0 HB2 TYR A 63 -3.019 -2.387 1.917 1.00 63.00 H new ATOM 0 HB3 TYR A 63 -2.581 -0.713 1.639 1.00 63.00 H new ATOM 0 HD1 TYR A 63 -1.334 0.323 3.918 1.00 34.40 H new ATOM 0 HD2 TYR A 63 -1.241 -3.726 2.590 1.00 65.10 H new ATOM 0 HE1 TYR A 63 0.772 -0.026 5.131 1.00 72.50 H new ATOM 0 HE2 TYR A 63 0.863 -4.076 3.804 1.00 73.20 H new ATOM 0 HH TYR A 63 2.422 -3.192 5.094 1.00 34.50 H new ATOM 1033 N LEU A 64 -5.889 -1.199 1.945 1.00 41.20 N ATOM 1034 CA LEU A 64 -6.986 -0.713 1.115 1.00 33.30 C ATOM 1035 C LEU A 64 -8.016 0.041 1.952 1.00 5.41 C ATOM 1036 O LEU A 64 -8.601 1.024 1.497 1.00 52.10 O ATOM 1037 CB LEU A 64 -7.659 -1.880 0.390 1.00 41.20 C ATOM 1038 CG LEU A 64 -7.034 -2.254 -0.955 1.00 55.00 C ATOM 1039 CD1 LEU A 64 -7.144 -3.752 -1.197 1.00 42.30 C ATOM 1040 CD2 LEU A 64 -7.699 -1.481 -2.085 1.00 22.40 C ATOM 0 H LEU A 64 -5.879 -2.210 2.082 1.00 41.20 H new ATOM 0 HA LEU A 64 -6.571 -0.024 0.379 1.00 33.30 H new ATOM 0 HB2 LEU A 64 -7.635 -2.754 1.040 1.00 41.20 H new ATOM 0 HB3 LEU A 64 -8.708 -1.631 0.229 1.00 41.20 H new ATOM 0 HG LEU A 64 -5.978 -1.987 -0.930 1.00 55.00 H new ATOM 0 HD11 LEU A 64 -6.694 -3.999 -2.159 1.00 42.30 H new ATOM 0 HD12 LEU A 64 -6.623 -4.288 -0.404 1.00 42.30 H new ATOM 0 HD13 LEU A 64 -8.194 -4.044 -1.202 1.00 42.30 H new ATOM 0 HD21 LEU A 64 -7.242 -1.759 -3.035 1.00 22.40 H new ATOM 0 HD22 LEU A 64 -8.763 -1.718 -2.111 1.00 22.40 H new ATOM 0 HD23 LEU A 64 -7.569 -0.411 -1.920 1.00 22.40 H new ATOM 1052 N ASP A 65 -8.235 -0.427 3.176 1.00 32.40 N ATOM 1053 CA ASP A 65 -9.196 0.202 4.075 1.00 11.10 C ATOM 1054 C ASP A 65 -8.713 1.580 4.521 1.00 24.50 C ATOM 1055 O ASP A 65 -9.517 2.466 4.808 1.00 25.40 O ATOM 1056 CB ASP A 65 -9.440 -0.688 5.296 1.00 11.20 C ATOM 1057 CG ASP A 65 -10.770 -1.400 5.234 1.00 53.20 C ATOM 1058 OD1 ASP A 65 -10.870 -2.429 4.533 1.00 34.30 O ATOM 1059 OD2 ASP A 65 -11.730 -0.928 5.887 1.00 71.40 O ATOM 0 H ASP A 65 -7.760 -1.240 3.569 1.00 32.40 H new ATOM 0 HA ASP A 65 -10.132 0.328 3.532 1.00 11.10 H new ATOM 0 HB2 ASP A 65 -8.640 -1.425 5.371 1.00 11.20 H new ATOM 0 HB3 ASP A 65 -9.399 -0.080 6.199 1.00 11.20 H new ATOM 1064 N ARG A 66 -7.397 1.752 4.579 1.00 34.40 N ATOM 1065 CA ARG A 66 -6.810 3.022 4.994 1.00 41.10 C ATOM 1066 C ARG A 66 -6.866 4.045 3.865 1.00 3.13 C ATOM 1067 O ARG A 66 -7.128 5.226 4.096 1.00 23.30 O ATOM 1068 CB ARG A 66 -5.362 2.816 5.440 1.00 75.20 C ATOM 1069 CG ARG A 66 -5.216 2.552 6.929 1.00 24.30 C ATOM 1070 CD ARG A 66 -5.223 3.845 7.728 1.00 21.50 C ATOM 1071 NE ARG A 66 -3.875 4.361 7.948 1.00 33.40 N ATOM 1072 CZ ARG A 66 -3.012 3.835 8.815 1.00 32.10 C ATOM 1073 NH1 ARG A 66 -3.353 2.780 9.545 1.00 62.30 N ATOM 1074 NH2 ARG A 66 -1.804 4.365 8.952 1.00 72.40 N ATOM 0 H ARG A 66 -6.717 1.029 4.344 1.00 34.40 H new ATOM 0 HA ARG A 66 -7.391 3.404 5.833 1.00 41.10 H new ATOM 0 HB2 ARG A 66 -4.936 1.978 4.888 1.00 75.20 H new ATOM 0 HB3 ARG A 66 -4.780 3.700 5.177 1.00 75.20 H new ATOM 0 HG2 ARG A 66 -6.029 1.910 7.267 1.00 24.30 H new ATOM 0 HG3 ARG A 66 -4.287 2.014 7.115 1.00 24.30 H new ATOM 0 HD2 ARG A 66 -5.816 4.593 7.201 1.00 21.50 H new ATOM 0 HD3 ARG A 66 -5.707 3.674 8.690 1.00 21.50 H new ATOM 0 HE ARG A 66 -3.577 5.172 7.406 1.00 33.40 H new ATOM 0 HH11 ARG A 66 -4.280 2.368 9.443 1.00 62.30 H new ATOM 0 HH12 ARG A 66 -2.688 2.382 10.207 1.00 62.30 H new ATOM 0 HH21 ARG A 66 -1.536 5.175 8.393 1.00 72.40 H new ATOM 0 HH22 ARG A 66 -1.143 3.962 9.616 1.00 72.40 H new ATOM 1088 N ALA A 67 -6.614 3.588 2.643 1.00 73.30 N ATOM 1089 CA ALA A 67 -6.633 4.465 1.478 1.00 52.10 C ATOM 1090 C ALA A 67 -7.998 5.123 1.302 1.00 64.50 C ATOM 1091 O ALA A 67 -8.090 6.300 0.956 1.00 12.10 O ATOM 1092 CB ALA A 67 -6.256 3.687 0.227 1.00 4.34 C ATOM 0 H ALA A 67 -6.394 2.614 2.434 1.00 73.30 H new ATOM 0 HA ALA A 67 -5.899 5.254 1.639 1.00 52.10 H new ATOM 0 HB1 ALA A 67 -6.274 4.354 -0.635 1.00 4.34 H new ATOM 0 HB2 ALA A 67 -5.255 3.272 0.344 1.00 4.34 H new ATOM 0 HB3 ALA A 67 -6.969 2.876 0.074 1.00 4.34 H new ATOM 1098 N GLU A 68 -9.056 4.354 1.538 1.00 33.50 N ATOM 1099 CA GLU A 68 -10.410 4.863 1.402 1.00 2.30 C ATOM 1100 C GLU A 68 -10.730 5.870 2.503 1.00 74.10 C ATOM 1101 O GLU A 68 -11.500 6.812 2.291 1.00 70.10 O ATOM 1102 CB GLU A 68 -11.420 3.710 1.439 1.00 41.20 C ATOM 1103 CG GLU A 68 -11.320 2.860 2.696 1.00 71.00 C ATOM 1104 CD GLU A 68 -12.630 2.175 3.036 1.00 73.20 C ATOM 1105 OE1 GLU A 68 -12.910 1.109 2.449 1.00 72.20 O ATOM 1106 OE2 GLU A 68 -13.370 2.704 3.890 1.00 74.30 O ATOM 0 H GLU A 68 -8.999 3.377 1.824 1.00 33.50 H new ATOM 0 HA GLU A 68 -10.483 5.370 0.440 1.00 2.30 H new ATOM 0 HB2 GLU A 68 -12.428 4.117 1.364 1.00 41.20 H new ATOM 0 HB3 GLU A 68 -11.267 3.075 0.567 1.00 41.20 H new ATOM 0 HG2 GLU A 68 -10.544 2.107 2.561 1.00 71.00 H new ATOM 0 HG3 GLU A 68 -11.014 3.488 3.533 1.00 71.00 H new ATOM 1113 N LYS A 69 -10.150 5.663 3.678 1.00 63.50 N ATOM 1114 CA LYS A 69 -10.380 6.552 4.812 1.00 70.30 C ATOM 1115 C LYS A 69 -9.630 7.868 4.636 1.00 3.23 C ATOM 1116 O LYS A 69 -10.060 8.911 5.127 1.00 4.40 O ATOM 1117 CB LYS A 69 -9.951 5.875 6.114 1.00 53.20 C ATOM 1118 CG LYS A 69 -10.730 6.344 7.331 1.00 51.50 C ATOM 1119 CD LYS A 69 -9.809 6.837 8.435 1.00 51.20 C ATOM 1120 CE LYS A 69 -9.466 8.308 8.259 1.00 54.00 C ATOM 1121 NZ LYS A 69 -8.415 8.752 9.216 1.00 21.50 N ATOM 0 H LYS A 69 -9.517 4.887 3.872 1.00 63.50 H new ATOM 0 HA LYS A 69 -11.447 6.769 4.859 1.00 70.30 H new ATOM 0 HB2 LYS A 69 -10.072 4.797 6.010 1.00 53.20 H new ATOM 0 HB3 LYS A 69 -8.890 6.062 6.278 1.00 53.20 H new ATOM 0 HG2 LYS A 69 -11.410 7.145 7.041 1.00 51.50 H new ATOM 0 HG3 LYS A 69 -11.343 5.525 7.708 1.00 51.50 H new ATOM 0 HD2 LYS A 69 -10.287 6.687 9.403 1.00 51.20 H new ATOM 0 HD3 LYS A 69 -8.893 6.246 8.437 1.00 51.20 H new ATOM 0 HE2 LYS A 69 -9.124 8.481 7.239 1.00 54.00 H new ATOM 0 HE3 LYS A 69 -10.364 8.910 8.401 1.00 54.00 H new ATOM 0 HZ1 LYS A 69 -8.210 9.760 9.063 1.00 21.50 H new ATOM 0 HZ2 LYS A 69 -8.750 8.611 10.190 1.00 21.50 H new ATOM 0 HZ3 LYS A 69 -7.550 8.196 9.064 1.00 21.50 H new ATOM 1135 N LEU A 70 -8.501 7.811 3.937 1.00 30.40 N ATOM 1136 CA LEU A 70 -7.687 8.998 3.701 1.00 63.10 C ATOM 1137 C LEU A 70 -8.370 9.944 2.717 1.00 53.20 C ATOM 1138 O LEU A 70 -8.440 11.151 2.950 1.00 22.20 O ATOM 1139 CB LEU A 70 -6.311 8.599 3.168 1.00 74.30 C ATOM 1140 CG LEU A 70 -5.447 7.796 4.142 1.00 32.20 C ATOM 1141 CD1 LEU A 70 -4.413 6.975 3.387 1.00 11.10 C ATOM 1142 CD2 LEU A 70 -4.768 8.723 5.139 1.00 31.20 C ATOM 0 H LEU A 70 -8.129 6.956 3.524 1.00 30.40 H new ATOM 0 HA LEU A 70 -7.567 9.518 4.651 1.00 63.10 H new ATOM 0 HB2 LEU A 70 -6.446 8.013 2.259 1.00 74.30 H new ATOM 0 HB3 LEU A 70 -5.771 9.503 2.887 1.00 74.30 H new ATOM 0 HG LEU A 70 -6.093 7.112 4.692 1.00 32.20 H new ATOM 0 HD11 LEU A 70 -3.808 6.411 4.097 1.00 11.10 H new ATOM 0 HD12 LEU A 70 -4.919 6.285 2.712 1.00 11.10 H new ATOM 0 HD13 LEU A 70 -3.770 7.640 2.811 1.00 11.10 H new ATOM 0 HD21 LEU A 70 -4.157 8.135 5.825 1.00 31.20 H new ATOM 0 HD22 LEU A 70 -4.135 9.431 4.605 1.00 31.20 H new ATOM 0 HD23 LEU A 70 -5.525 9.268 5.703 1.00 31.20 H new ATOM 1154 N LYS A 71 -8.870 9.388 1.619 1.00 21.20 N ATOM 1155 CA LYS A 71 -9.544 10.183 0.598 1.00 25.20 C ATOM 1156 C LYS A 71 -10.870 10.723 1.112 1.00 44.10 C ATOM 1157 O LYS A 71 -11.310 11.804 0.717 1.00 14.20 O ATOM 1158 CB LYS A 71 -9.773 9.347 -0.661 1.00 41.50 C ATOM 1159 CG LYS A 71 -10.540 8.060 -0.405 1.00 14.30 C ATOM 1160 CD LYS A 71 -11.500 7.747 -1.542 1.00 11.30 C ATOM 1161 CE LYS A 71 -10.870 6.813 -2.562 1.00 23.20 C ATOM 1162 NZ LYS A 71 -11.330 5.409 -2.392 1.00 25.10 N ATOM 0 H LYS A 71 -8.822 8.390 1.413 1.00 21.20 H new ATOM 0 HA LYS A 71 -8.902 11.029 0.352 1.00 25.20 H new ATOM 0 HB2 LYS A 71 -10.318 9.946 -1.391 1.00 41.50 H new ATOM 0 HB3 LYS A 71 -8.808 9.103 -1.106 1.00 41.50 H new ATOM 0 HG2 LYS A 71 -9.838 7.235 -0.283 1.00 14.30 H new ATOM 0 HG3 LYS A 71 -11.096 8.146 0.529 1.00 14.30 H new ATOM 0 HD2 LYS A 71 -12.405 7.291 -1.140 1.00 11.30 H new ATOM 0 HD3 LYS A 71 -11.800 8.673 -2.032 1.00 11.30 H new ATOM 0 HE2 LYS A 71 -11.116 7.156 -3.567 1.00 23.20 H new ATOM 0 HE3 LYS A 71 -9.785 6.853 -2.468 1.00 23.20 H new ATOM 0 HZ1 LYS A 71 -10.556 4.758 -2.634 1.00 25.10 H new ATOM 0 HZ2 LYS A 71 -11.616 5.254 -1.404 1.00 25.10 H new ATOM 0 HZ3 LYS A 71 -12.141 5.231 -3.019 1.00 25.10 H new ATOM 1176 N ASP A 72 -11.510 9.962 1.993 1.00 52.40 N ATOM 1177 CA ASP A 72 -12.800 10.364 2.558 1.00 3.21 C ATOM 1178 C ASP A 72 -12.620 11.524 3.536 1.00 44.30 C ATOM 1179 O ASP A 72 -13.520 12.346 3.702 1.00 3.24 O ATOM 1180 CB ASP A 72 -13.460 9.177 3.261 1.00 30.30 C ATOM 1181 CG ASP A 72 -14.700 8.692 2.532 1.00 62.40 C ATOM 1182 OD1 ASP A 72 -15.720 9.413 2.549 1.00 0.02 O ATOM 1183 OD2 ASP A 72 -14.650 7.590 1.947 1.00 71.40 O ATOM 0 H ASP A 72 -11.161 9.066 2.333 1.00 52.40 H new ATOM 0 HA ASP A 72 -13.446 10.696 1.745 1.00 3.21 H new ATOM 0 HB2 ASP A 72 -12.744 8.359 3.338 1.00 30.30 H new ATOM 0 HB3 ASP A 72 -13.728 9.463 4.278 1.00 30.30 H new ATOM 1188 N TYR A 73 -11.460 11.581 4.180 1.00 54.20 N ATOM 1189 CA TYR A 73 -11.180 12.639 5.142 1.00 21.10 C ATOM 1190 C TYR A 73 -10.930 13.970 4.436 1.00 35.40 C ATOM 1191 O TYR A 73 -11.510 14.995 4.804 1.00 44.30 O ATOM 1192 CB TYR A 73 -9.963 12.269 5.991 1.00 12.20 C ATOM 1193 CG TYR A 73 -9.606 13.310 7.027 1.00 73.40 C ATOM 1194 CD1 TYR A 73 -8.830 14.413 6.693 1.00 70.30 C ATOM 1195 CD2 TYR A 73 -10.040 13.190 8.340 1.00 12.40 C ATOM 1196 CE1 TYR A 73 -8.502 15.367 7.638 1.00 24.00 C ATOM 1197 CE2 TYR A 73 -9.721 14.140 9.291 1.00 31.20 C ATOM 1198 CZ TYR A 73 -8.949 15.226 8.935 1.00 53.30 C ATOM 1199 OH TYR A 73 -8.625 16.174 9.878 1.00 24.20 O ATOM 0 H TYR A 73 -10.702 10.910 4.054 1.00 54.20 H new ATOM 0 HA TYR A 73 -12.052 12.749 5.787 1.00 21.10 H new ATOM 0 HB2 TYR A 73 -10.156 11.321 6.493 1.00 12.20 H new ATOM 0 HB3 TYR A 73 -9.107 12.114 5.335 1.00 12.20 H new ATOM 0 HD1 TYR A 73 -8.477 14.527 5.679 1.00 70.30 H new ATOM 0 HD2 TYR A 73 -10.639 12.337 8.624 1.00 12.40 H new ATOM 0 HE1 TYR A 73 -7.898 16.219 7.362 1.00 24.00 H new ATOM 0 HE2 TYR A 73 -10.074 14.033 10.306 1.00 31.20 H new ATOM 0 HH TYR A 73 -9.019 15.926 10.740 1.00 24.20 H new ATOM 1209 N LEU A 74 -10.080 13.947 3.421 1.00 24.20 N ATOM 1210 CA LEU A 74 -9.758 15.152 2.665 1.00 62.40 C ATOM 1211 C LEU A 74 -10.950 15.611 1.831 1.00 71.20 C ATOM 1212 O LEU A 74 -11.230 16.806 1.736 1.00 0.11 O ATOM 1213 CB LEU A 74 -8.552 14.902 1.758 1.00 53.40 C ATOM 1214 CG LEU A 74 -8.729 13.773 0.740 1.00 41.50 C ATOM 1215 CD1 LEU A 74 -9.224 14.324 -0.588 1.00 34.20 C ATOM 1216 CD2 LEU A 74 -7.423 13.016 0.551 1.00 20.50 C ATOM 0 H LEU A 74 -9.599 13.107 3.100 1.00 24.20 H new ATOM 0 HA LEU A 74 -9.513 15.941 3.376 1.00 62.40 H new ATOM 0 HB2 LEU A 74 -8.324 15.823 1.221 1.00 53.40 H new ATOM 0 HB3 LEU A 74 -7.688 14.675 2.383 1.00 53.40 H new ATOM 0 HG LEU A 74 -9.477 13.079 1.123 1.00 41.50 H new ATOM 0 HD11 LEU A 74 -9.344 13.507 -1.299 1.00 34.20 H new ATOM 0 HD12 LEU A 74 -10.183 14.821 -0.441 1.00 34.20 H new ATOM 0 HD13 LEU A 74 -8.500 15.040 -0.977 1.00 34.20 H new ATOM 0 HD21 LEU A 74 -7.568 12.217 -0.176 1.00 20.50 H new ATOM 0 HD22 LEU A 74 -6.655 13.700 0.190 1.00 20.50 H new ATOM 0 HD23 LEU A 74 -7.110 12.588 1.503 1.00 20.50 H new ATOM 1228 N ARG A 75 -11.640 14.655 1.227 1.00 72.20 N ATOM 1229 CA ARG A 75 -12.810 14.963 0.400 1.00 14.10 C ATOM 1230 C ARG A 75 -13.870 15.704 1.205 1.00 50.40 C ATOM 1231 O ARG A 75 -14.470 16.661 0.721 1.00 52.20 O ATOM 1232 CB ARG A 75 -13.400 13.678 -0.185 1.00 14.40 C ATOM 1233 CG ARG A 75 -12.750 13.257 -1.497 1.00 31.40 C ATOM 1234 CD ARG A 75 -13.790 13.039 -2.587 1.00 71.50 C ATOM 1235 NE ARG A 75 -13.260 12.251 -3.698 1.00 2.21 N ATOM 1236 CZ ARG A 75 -13.910 12.052 -4.841 1.00 4.00 C ATOM 1237 NH1 ARG A 75 -15.120 12.583 -5.030 1.00 24.00 N ATOM 1238 NH2 ARG A 75 -13.360 11.322 -5.800 1.00 33.30 N ATOM 0 H ARG A 75 -11.416 13.662 1.290 1.00 72.20 H new ATOM 0 HA ARG A 75 -12.485 15.610 -0.415 1.00 14.10 H new ATOM 0 HB2 ARG A 75 -13.290 12.873 0.541 1.00 14.40 H new ATOM 0 HB3 ARG A 75 -14.469 13.818 -0.346 1.00 14.40 H new ATOM 0 HG2 ARG A 75 -12.042 14.022 -1.816 1.00 31.40 H new ATOM 0 HG3 ARG A 75 -12.182 12.339 -1.345 1.00 31.40 H new ATOM 0 HD2 ARG A 75 -14.658 12.532 -2.164 1.00 71.50 H new ATOM 0 HD3 ARG A 75 -14.134 14.004 -2.958 1.00 71.50 H new ATOM 0 HE ARG A 75 -12.338 11.829 -3.590 1.00 2.21 H new ATOM 0 HH11 ARG A 75 -15.551 13.145 -4.296 1.00 24.00 H new ATOM 0 HH12 ARG A 75 -15.614 12.427 -5.909 1.00 24.00 H new ATOM 0 HH21 ARG A 75 -12.436 10.911 -5.662 1.00 33.30 H new ATOM 0 HH22 ARG A 75 -13.860 11.170 -6.676 1.00 33.30 H new ATOM 1252 N SER A 76 -14.090 15.255 2.436 1.00 70.40 N ATOM 1253 CA SER A 76 -15.080 15.876 3.307 1.00 1.23 C ATOM 1254 C SER A 76 -14.650 17.282 3.711 1.00 62.30 C ATOM 1255 O SER A 76 -15.440 18.220 3.683 1.00 12.20 O ATOM 1256 CB SER A 76 -15.300 15.020 4.556 1.00 21.10 C ATOM 1257 OG SER A 76 -16.370 14.104 4.364 1.00 43.20 O ATOM 0 H SER A 76 -13.597 14.465 2.852 1.00 70.40 H new ATOM 0 HA SER A 76 -16.016 15.949 2.753 1.00 1.23 H new ATOM 0 HB2 SER A 76 -14.387 14.474 4.792 1.00 21.10 H new ATOM 0 HB3 SER A 76 -15.516 15.664 5.409 1.00 21.10 H new ATOM 0 HG SER A 76 -16.490 13.567 5.175 1.00 43.20 H new