USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 415 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 16 THR OG1 : rot 180:sc= 0.0419 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 99:sc= 1.16 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 66:sc= 0.808 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -1:sc= -0.0905 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 66:sc= 1.13 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 92:sc= 1.21 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0772 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 73 SER OG : rot 110:sc= 1.05 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 15 77.415 9.115 12.203 1.00 0.00 N ATOM 36 CA LEU A 15 77.168 7.950 11.359 1.00 0.00 C ATOM 37 C LEU A 15 78.302 7.758 10.357 1.00 0.00 C ATOM 38 O LEU A 15 78.800 6.647 10.169 1.00 0.00 O ATOM 39 CB LEU A 15 75.838 8.101 10.616 1.00 0.00 C ATOM 40 CG LEU A 15 74.645 8.498 11.489 1.00 0.00 C ATOM 41 CD1 LEU A 15 73.724 9.445 10.736 1.00 0.00 C ATOM 42 CD2 LEU A 15 73.883 7.260 11.941 1.00 0.00 C ATOM 0 HA LEU A 15 77.118 7.071 12.002 1.00 0.00 H new ATOM 0 HB2 LEU A 15 75.960 8.850 9.834 1.00 0.00 H new ATOM 0 HB3 LEU A 15 75.608 7.158 10.121 1.00 0.00 H new ATOM 0 HG LEU A 15 75.021 9.015 12.372 1.00 0.00 H new ATOM 0 HD11 LEU A 15 72.882 9.716 11.373 1.00 0.00 H new ATOM 0 HD12 LEU A 15 74.274 10.344 10.459 1.00 0.00 H new ATOM 0 HD13 LEU A 15 73.355 8.954 9.835 1.00 0.00 H new ATOM 0 HD21 LEU A 15 73.038 7.559 12.561 1.00 0.00 H new ATOM 0 HD22 LEU A 15 73.519 6.718 11.068 1.00 0.00 H new ATOM 0 HD23 LEU A 15 74.546 6.615 12.518 1.00 0.00 H new ATOM 54 N THR A 16 78.708 8.852 9.716 1.00 0.00 N ATOM 55 CA THR A 16 79.781 8.812 8.729 1.00 0.00 C ATOM 56 C THR A 16 81.131 8.553 9.393 1.00 0.00 C ATOM 57 O THR A 16 82.028 7.964 8.789 1.00 0.00 O ATOM 58 CB THR A 16 79.830 10.128 7.950 1.00 0.00 C ATOM 59 OG1 THR A 16 78.578 10.787 8.001 1.00 0.00 O ATOM 60 CG2 THR A 16 80.194 9.946 6.493 1.00 0.00 C ATOM 0 H THR A 16 78.308 9.779 9.864 1.00 0.00 H new ATOM 0 HA THR A 16 79.575 7.992 8.041 1.00 0.00 H new ATOM 0 HB THR A 16 80.608 10.721 8.431 1.00 0.00 H new ATOM 0 HG1 THR A 16 78.630 11.627 7.499 1.00 0.00 H new ATOM 0 HG21 THR A 16 80.211 10.917 5.998 1.00 0.00 H new ATOM 0 HG22 THR A 16 81.178 9.484 6.419 1.00 0.00 H new ATOM 0 HG23 THR A 16 79.455 9.306 6.011 1.00 0.00 H new ATOM 68 N GLN A 17 81.273 9.002 10.637 1.00 0.00 N ATOM 69 CA GLN A 17 82.517 8.820 11.379 1.00 0.00 C ATOM 70 C GLN A 17 82.679 7.377 11.857 1.00 0.00 C ATOM 71 O GLN A 17 83.720 7.016 12.403 1.00 0.00 O ATOM 72 CB GLN A 17 82.567 9.774 12.575 1.00 0.00 C ATOM 73 CG GLN A 17 83.316 11.066 12.291 1.00 0.00 C ATOM 74 CD GLN A 17 84.801 10.954 12.575 1.00 0.00 C ATOM 75 OE1 GLN A 17 85.374 9.865 12.531 1.00 0.00 O ATOM 76 NE2 GLN A 17 85.435 12.084 12.865 1.00 0.00 N ATOM 0 H GLN A 17 80.543 9.494 11.152 1.00 0.00 H new ATOM 0 HA GLN A 17 83.341 9.046 10.702 1.00 0.00 H new ATOM 0 HB2 GLN A 17 81.549 10.014 12.881 1.00 0.00 H new ATOM 0 HB3 GLN A 17 83.041 9.266 13.415 1.00 0.00 H new ATOM 0 HG2 GLN A 17 83.170 11.345 11.247 1.00 0.00 H new ATOM 0 HG3 GLN A 17 82.893 11.867 12.897 1.00 0.00 H new ATOM 0 HE21 GLN A 17 84.921 12.965 12.891 1.00 0.00 H new ATOM 0 HE22 GLN A 17 86.436 12.071 13.062 1.00 0.00 H new ATOM 85 N VAL A 18 81.650 6.557 11.647 1.00 0.00 N ATOM 86 CA VAL A 18 81.689 5.154 12.059 1.00 0.00 C ATOM 87 C VAL A 18 81.722 4.233 10.845 1.00 0.00 C ATOM 88 O VAL A 18 82.391 3.199 10.854 1.00 0.00 O ATOM 89 CB VAL A 18 80.469 4.792 12.927 1.00 0.00 C ATOM 90 CG1 VAL A 18 80.592 3.370 13.458 1.00 0.00 C ATOM 91 CG2 VAL A 18 80.310 5.784 14.069 1.00 0.00 C ATOM 0 H VAL A 18 80.780 6.839 11.195 1.00 0.00 H new ATOM 0 HA VAL A 18 82.597 5.017 12.646 1.00 0.00 H new ATOM 0 HB VAL A 18 79.576 4.846 12.304 1.00 0.00 H new ATOM 0 HG11 VAL A 18 79.721 3.133 14.069 1.00 0.00 H new ATOM 0 HG12 VAL A 18 80.649 2.673 12.622 1.00 0.00 H new ATOM 0 HG13 VAL A 18 81.494 3.285 14.064 1.00 0.00 H new ATOM 0 HG21 VAL A 18 79.443 5.511 14.670 1.00 0.00 H new ATOM 0 HG22 VAL A 18 81.204 5.767 14.693 1.00 0.00 H new ATOM 0 HG23 VAL A 18 80.169 6.786 13.664 1.00 0.00 H new ATOM 101 N LYS A 19 81.004 4.622 9.798 1.00 0.00 N ATOM 102 CA LYS A 19 80.950 3.841 8.570 1.00 0.00 C ATOM 103 C LYS A 19 82.310 3.822 7.898 1.00 0.00 C ATOM 104 O LYS A 19 82.938 2.772 7.760 1.00 0.00 O ATOM 105 CB LYS A 19 79.920 4.435 7.616 1.00 0.00 C ATOM 106 CG LYS A 19 78.483 4.105 7.987 1.00 0.00 C ATOM 107 CD LYS A 19 78.143 2.658 7.668 1.00 0.00 C ATOM 108 CE LYS A 19 77.162 2.079 8.676 1.00 0.00 C ATOM 109 NZ LYS A 19 75.799 1.926 8.099 1.00 0.00 N ATOM 0 H LYS A 19 80.449 5.478 9.776 1.00 0.00 H new ATOM 0 HA LYS A 19 80.662 2.820 8.822 1.00 0.00 H new ATOM 0 HB2 LYS A 19 80.041 5.518 7.593 1.00 0.00 H new ATOM 0 HB3 LYS A 19 80.119 4.071 6.608 1.00 0.00 H new ATOM 0 HG2 LYS A 19 78.329 4.290 9.050 1.00 0.00 H new ATOM 0 HG3 LYS A 19 77.806 4.767 7.447 1.00 0.00 H new ATOM 0 HD2 LYS A 19 77.716 2.596 6.667 1.00 0.00 H new ATOM 0 HD3 LYS A 19 79.055 2.062 7.663 1.00 0.00 H new ATOM 0 HE2 LYS A 19 77.523 1.109 9.017 1.00 0.00 H new ATOM 0 HE3 LYS A 19 77.115 2.728 9.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 75.161 1.529 8.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 75.444 2.855 7.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 75.839 1.287 7.280 1.00 0.00 H new ATOM 123 N GLU A 20 82.763 5.001 7.489 1.00 0.00 N ATOM 124 CA GLU A 20 84.060 5.135 6.841 1.00 0.00 C ATOM 125 C GLU A 20 85.163 4.624 7.757 1.00 0.00 C ATOM 126 O GLU A 20 86.247 4.259 7.301 1.00 0.00 O ATOM 127 CB GLU A 20 84.323 6.595 6.465 1.00 0.00 C ATOM 128 CG GLU A 20 83.829 6.964 5.077 1.00 0.00 C ATOM 129 CD GLU A 20 84.730 6.440 3.977 1.00 0.00 C ATOM 130 OE1 GLU A 20 85.960 6.394 4.189 1.00 0.00 O ATOM 131 OE2 GLU A 20 84.207 6.075 2.903 1.00 0.00 O ATOM 0 H GLU A 20 82.251 5.877 7.595 1.00 0.00 H new ATOM 0 HA GLU A 20 84.053 4.537 5.930 1.00 0.00 H new ATOM 0 HB2 GLU A 20 83.841 7.243 7.197 1.00 0.00 H new ATOM 0 HB3 GLU A 20 85.394 6.789 6.524 1.00 0.00 H new ATOM 0 HG2 GLU A 20 82.823 6.568 4.937 1.00 0.00 H new ATOM 0 HG3 GLU A 20 83.759 8.049 4.997 1.00 0.00 H new ATOM 138 N SER A 21 84.874 4.597 9.055 1.00 0.00 N ATOM 139 CA SER A 21 85.829 4.126 10.039 1.00 0.00 C ATOM 140 C SER A 21 85.885 2.603 10.050 1.00 0.00 C ATOM 141 O SER A 21 86.943 2.007 9.853 1.00 0.00 O ATOM 142 CB SER A 21 85.431 4.651 11.411 1.00 0.00 C ATOM 143 OG SER A 21 86.524 5.277 12.061 1.00 0.00 O ATOM 0 H SER A 21 83.981 4.898 9.446 1.00 0.00 H new ATOM 0 HA SER A 21 86.821 4.496 9.781 1.00 0.00 H new ATOM 0 HB2 SER A 21 84.612 5.362 11.307 1.00 0.00 H new ATOM 0 HB3 SER A 21 85.063 3.829 12.025 1.00 0.00 H new ATOM 0 HG SER A 21 86.238 5.606 12.939 1.00 0.00 H new ATOM 149 N LEU A 22 84.733 1.978 10.275 1.00 0.00 N ATOM 150 CA LEU A 22 84.648 0.524 10.303 1.00 0.00 C ATOM 151 C LEU A 22 85.007 -0.056 8.941 1.00 0.00 C ATOM 152 O LEU A 22 85.535 -1.165 8.845 1.00 0.00 O ATOM 153 CB LEU A 22 83.240 0.078 10.709 1.00 0.00 C ATOM 154 CG LEU A 22 83.100 -0.371 12.164 1.00 0.00 C ATOM 155 CD1 LEU A 22 82.761 0.812 13.057 1.00 0.00 C ATOM 156 CD2 LEU A 22 82.040 -1.456 12.285 1.00 0.00 C ATOM 0 H LEU A 22 83.847 2.456 10.440 1.00 0.00 H new ATOM 0 HA LEU A 22 85.359 0.153 11.041 1.00 0.00 H new ATOM 0 HB2 LEU A 22 82.548 0.901 10.530 1.00 0.00 H new ATOM 0 HB3 LEU A 22 82.934 -0.742 10.060 1.00 0.00 H new ATOM 0 HG LEU A 22 84.054 -0.784 12.492 1.00 0.00 H new ATOM 0 HD11 LEU A 22 82.665 0.473 14.089 1.00 0.00 H new ATOM 0 HD12 LEU A 22 83.555 1.556 12.992 1.00 0.00 H new ATOM 0 HD13 LEU A 22 81.820 1.255 12.732 1.00 0.00 H new ATOM 0 HD21 LEU A 22 81.953 -1.765 13.327 1.00 0.00 H new ATOM 0 HD22 LEU A 22 81.082 -1.068 11.940 1.00 0.00 H new ATOM 0 HD23 LEU A 22 82.326 -2.313 11.675 1.00 0.00 H new ATOM 168 N SER A 23 84.718 0.702 7.888 1.00 0.00 N ATOM 169 CA SER A 23 85.014 0.264 6.532 1.00 0.00 C ATOM 170 C SER A 23 86.516 0.250 6.290 1.00 0.00 C ATOM 171 O SER A 23 87.031 -0.604 5.569 1.00 0.00 O ATOM 172 CB SER A 23 84.328 1.176 5.513 1.00 0.00 C ATOM 173 OG SER A 23 84.600 0.757 4.187 1.00 0.00 O ATOM 0 H SER A 23 84.280 1.621 7.949 1.00 0.00 H new ATOM 0 HA SER A 23 84.631 -0.749 6.410 1.00 0.00 H new ATOM 0 HB2 SER A 23 83.252 1.173 5.685 1.00 0.00 H new ATOM 0 HB3 SER A 23 84.670 2.202 5.651 1.00 0.00 H new ATOM 0 HG SER A 23 84.149 1.356 3.556 1.00 0.00 H new ATOM 178 N SER A 24 87.215 1.195 6.906 1.00 0.00 N ATOM 179 CA SER A 24 88.663 1.285 6.764 1.00 0.00 C ATOM 180 C SER A 24 89.333 0.061 7.370 1.00 0.00 C ATOM 181 O SER A 24 90.347 -0.421 6.865 1.00 0.00 O ATOM 182 CB SER A 24 89.191 2.546 7.437 1.00 0.00 C ATOM 183 OG SER A 24 88.629 3.711 6.860 1.00 0.00 O ATOM 0 H SER A 24 86.804 1.909 7.508 1.00 0.00 H new ATOM 0 HA SER A 24 88.897 1.329 5.700 1.00 0.00 H new ATOM 0 HB2 SER A 24 88.959 2.517 8.502 1.00 0.00 H new ATOM 0 HB3 SER A 24 90.277 2.581 7.348 1.00 0.00 H new ATOM 0 HG SER A 24 87.890 4.029 7.419 1.00 0.00 H new ATOM 189 N TYR A 25 88.750 -0.448 8.452 1.00 0.00 N ATOM 190 CA TYR A 25 89.271 -1.620 9.124 1.00 0.00 C ATOM 191 C TYR A 25 89.403 -2.770 8.136 1.00 0.00 C ATOM 192 O TYR A 25 90.331 -3.575 8.213 1.00 0.00 O ATOM 193 CB TYR A 25 88.320 -1.993 10.252 1.00 0.00 C ATOM 194 CG TYR A 25 89.009 -2.301 11.563 1.00 0.00 C ATOM 195 CD1 TYR A 25 90.028 -3.243 11.631 1.00 0.00 C ATOM 196 CD2 TYR A 25 88.643 -1.645 12.731 1.00 0.00 C ATOM 197 CE1 TYR A 25 90.661 -3.523 12.827 1.00 0.00 C ATOM 198 CE2 TYR A 25 89.272 -1.920 13.931 1.00 0.00 C ATOM 199 CZ TYR A 25 90.279 -2.860 13.973 1.00 0.00 C ATOM 200 OH TYR A 25 90.908 -3.136 15.165 1.00 0.00 O ATOM 0 H TYR A 25 87.910 -0.059 8.880 1.00 0.00 H new ATOM 0 HA TYR A 25 90.259 -1.409 9.533 1.00 0.00 H new ATOM 0 HB2 TYR A 25 87.617 -1.174 10.407 1.00 0.00 H new ATOM 0 HB3 TYR A 25 87.735 -2.861 9.948 1.00 0.00 H new ATOM 0 HD1 TYR A 25 90.330 -3.765 10.735 1.00 0.00 H new ATOM 0 HD2 TYR A 25 87.854 -0.908 12.701 1.00 0.00 H new ATOM 0 HE1 TYR A 25 91.451 -4.258 12.863 1.00 0.00 H new ATOM 0 HE2 TYR A 25 88.976 -1.401 14.831 1.00 0.00 H new ATOM 0 HH TYR A 25 90.521 -2.582 15.875 1.00 0.00 H new ATOM 210 N TRP A 26 88.461 -2.825 7.201 1.00 0.00 N ATOM 211 CA TRP A 26 88.446 -3.859 6.174 1.00 0.00 C ATOM 212 C TRP A 26 88.948 -3.314 4.839 1.00 0.00 C ATOM 213 O TRP A 26 89.297 -4.080 3.941 1.00 0.00 O ATOM 214 CB TRP A 26 87.028 -4.409 6.008 1.00 0.00 C ATOM 215 CG TRP A 26 86.688 -5.468 7.007 1.00 0.00 C ATOM 216 CD1 TRP A 26 86.742 -5.359 8.366 1.00 0.00 C ATOM 217 CD2 TRP A 26 86.253 -6.803 6.728 1.00 0.00 C ATOM 218 NE1 TRP A 26 86.368 -6.546 8.949 1.00 0.00 N ATOM 219 CE2 TRP A 26 86.061 -7.447 7.964 1.00 0.00 C ATOM 220 CE3 TRP A 26 86.004 -7.516 5.551 1.00 0.00 C ATOM 221 CZ2 TRP A 26 85.635 -8.769 8.057 1.00 0.00 C ATOM 222 CZ3 TRP A 26 85.581 -8.827 5.644 1.00 0.00 C ATOM 223 CH2 TRP A 26 85.399 -9.442 6.889 1.00 0.00 C ATOM 0 H TRP A 26 87.691 -2.159 7.134 1.00 0.00 H new ATOM 0 HA TRP A 26 89.113 -4.661 6.490 1.00 0.00 H new ATOM 0 HB2 TRP A 26 86.314 -3.590 6.099 1.00 0.00 H new ATOM 0 HB3 TRP A 26 86.919 -4.817 5.003 1.00 0.00 H new ATOM 0 HD1 TRP A 26 87.036 -4.470 8.905 1.00 0.00 H new ATOM 0 HE1 TRP A 26 86.326 -6.727 9.952 1.00 0.00 H new ATOM 0 HE3 TRP A 26 86.140 -7.049 4.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 85.496 -9.246 9.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 85.387 -9.388 4.741 1.00 0.00 H new ATOM 0 HH2 TRP A 26 85.066 -10.468 6.928 1.00 0.00 H new ATOM 234 N GLU A 27 88.991 -1.988 4.714 1.00 0.00 N ATOM 235 CA GLU A 27 89.453 -1.360 3.482 1.00 0.00 C ATOM 236 C GLU A 27 90.900 -1.737 3.195 1.00 0.00 C ATOM 237 O GLU A 27 91.259 -2.037 2.057 1.00 0.00 O ATOM 238 CB GLU A 27 89.311 0.160 3.571 1.00 0.00 C ATOM 239 CG GLU A 27 89.264 0.846 2.214 1.00 0.00 C ATOM 240 CD GLU A 27 89.420 2.351 2.315 1.00 0.00 C ATOM 241 OE1 GLU A 27 88.585 2.990 2.990 1.00 0.00 O ATOM 242 OE2 GLU A 27 90.376 2.889 1.720 1.00 0.00 O ATOM 0 H GLU A 27 88.713 -1.334 5.446 1.00 0.00 H new ATOM 0 HA GLU A 27 88.833 -1.722 2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 27 88.402 0.400 4.122 1.00 0.00 H new ATOM 0 HB3 GLU A 27 90.147 0.562 4.144 1.00 0.00 H new ATOM 0 HG2 GLU A 27 90.055 0.444 1.581 1.00 0.00 H new ATOM 0 HG3 GLU A 27 88.317 0.615 1.727 1.00 0.00 H new ATOM 249 N SER A 28 91.726 -1.734 4.235 1.00 0.00 N ATOM 250 CA SER A 28 93.131 -2.089 4.087 1.00 0.00 C ATOM 251 C SER A 28 93.257 -3.528 3.610 1.00 0.00 C ATOM 252 O SER A 28 94.128 -3.851 2.802 1.00 0.00 O ATOM 253 CB SER A 28 93.875 -1.898 5.408 1.00 0.00 C ATOM 254 OG SER A 28 94.996 -2.761 5.500 1.00 0.00 O ATOM 0 H SER A 28 91.448 -1.491 5.186 1.00 0.00 H new ATOM 0 HA SER A 28 93.581 -1.431 3.343 1.00 0.00 H new ATOM 0 HB2 SER A 28 94.203 -0.862 5.496 1.00 0.00 H new ATOM 0 HB3 SER A 28 93.197 -2.089 6.240 1.00 0.00 H new ATOM 0 HG SER A 28 95.452 -2.615 6.355 1.00 0.00 H new ATOM 260 N ALA A 29 92.365 -4.385 4.099 1.00 0.00 N ATOM 261 CA ALA A 29 92.364 -5.782 3.695 1.00 0.00 C ATOM 262 C ALA A 29 92.100 -5.867 2.203 1.00 0.00 C ATOM 263 O ALA A 29 92.677 -6.694 1.497 1.00 0.00 O ATOM 264 CB ALA A 29 91.317 -6.563 4.474 1.00 0.00 C ATOM 0 H ALA A 29 91.639 -4.136 4.771 1.00 0.00 H new ATOM 0 HA ALA A 29 93.337 -6.223 3.913 1.00 0.00 H new ATOM 0 HB1 ALA A 29 91.331 -7.606 4.158 1.00 0.00 H new ATOM 0 HB2 ALA A 29 91.537 -6.504 5.540 1.00 0.00 H new ATOM 0 HB3 ALA A 29 90.331 -6.140 4.283 1.00 0.00 H new ATOM 270 N LYS A 30 91.240 -4.970 1.730 1.00 0.00 N ATOM 271 CA LYS A 30 90.902 -4.898 0.316 1.00 0.00 C ATOM 272 C LYS A 30 92.013 -4.190 -0.448 1.00 0.00 C ATOM 273 O LYS A 30 92.244 -4.460 -1.626 1.00 0.00 O ATOM 274 CB LYS A 30 89.573 -4.160 0.122 1.00 0.00 C ATOM 275 CG LYS A 30 88.509 -4.994 -0.569 1.00 0.00 C ATOM 276 CD LYS A 30 87.277 -4.166 -0.895 1.00 0.00 C ATOM 277 CE LYS A 30 86.279 -4.169 0.254 1.00 0.00 C ATOM 278 NZ LYS A 30 85.966 -2.790 0.719 1.00 0.00 N ATOM 0 H LYS A 30 90.763 -4.280 2.311 1.00 0.00 H new ATOM 0 HA LYS A 30 90.795 -5.911 -0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 30 89.198 -3.842 1.095 1.00 0.00 H new ATOM 0 HB3 LYS A 30 89.751 -3.257 -0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 30 88.917 -5.418 -1.487 1.00 0.00 H new ATOM 0 HG3 LYS A 30 88.228 -5.830 0.071 1.00 0.00 H new ATOM 0 HD2 LYS A 30 87.575 -3.141 -1.116 1.00 0.00 H new ATOM 0 HD3 LYS A 30 86.800 -4.560 -1.793 1.00 0.00 H new ATOM 0 HE2 LYS A 30 85.361 -4.662 -0.064 1.00 0.00 H new ATOM 0 HE3 LYS A 30 86.682 -4.750 1.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 85.283 -2.834 1.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 86.838 -2.328 1.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 85.558 -2.243 -0.066 1.00 0.00 H new ATOM 292 N THR A 31 92.709 -3.289 0.243 1.00 0.00 N ATOM 293 CA THR A 31 93.805 -2.546 -0.354 1.00 0.00 C ATOM 294 C THR A 31 94.964 -3.485 -0.665 1.00 0.00 C ATOM 295 O THR A 31 95.448 -3.538 -1.796 1.00 0.00 O ATOM 296 CB THR A 31 94.261 -1.440 0.594 1.00 0.00 C ATOM 297 OG1 THR A 31 93.249 -0.461 0.746 1.00 0.00 O ATOM 298 CG2 THR A 31 95.516 -0.736 0.138 1.00 0.00 C ATOM 0 H THR A 31 92.528 -3.059 1.220 1.00 0.00 H new ATOM 0 HA THR A 31 93.463 -2.093 -1.284 1.00 0.00 H new ATOM 0 HB THR A 31 94.472 -1.941 1.539 1.00 0.00 H new ATOM 0 HG1 THR A 31 92.473 -0.859 1.193 1.00 0.00 H new ATOM 0 HG21 THR A 31 95.782 0.037 0.859 1.00 0.00 H new ATOM 0 HG22 THR A 31 96.330 -1.457 0.062 1.00 0.00 H new ATOM 0 HG23 THR A 31 95.343 -0.279 -0.837 1.00 0.00 H new ATOM 306 N ALA A 32 95.393 -4.235 0.346 1.00 0.00 N ATOM 307 CA ALA A 32 96.480 -5.187 0.177 1.00 0.00 C ATOM 308 C ALA A 32 96.147 -6.169 -0.939 1.00 0.00 C ATOM 309 O ALA A 32 97.036 -6.764 -1.549 1.00 0.00 O ATOM 310 CB ALA A 32 96.745 -5.929 1.479 1.00 0.00 C ATOM 0 H ALA A 32 95.004 -4.200 1.288 1.00 0.00 H new ATOM 0 HA ALA A 32 97.383 -4.642 -0.096 1.00 0.00 H new ATOM 0 HB1 ALA A 32 97.561 -6.637 1.335 1.00 0.00 H new ATOM 0 HB2 ALA A 32 97.018 -5.215 2.256 1.00 0.00 H new ATOM 0 HB3 ALA A 32 95.846 -6.467 1.780 1.00 0.00 H new ATOM 316 N ALA A 33 94.854 -6.315 -1.209 1.00 0.00 N ATOM 317 CA ALA A 33 94.385 -7.205 -2.260 1.00 0.00 C ATOM 318 C ALA A 33 94.498 -6.527 -3.619 1.00 0.00 C ATOM 319 O ALA A 33 94.709 -7.185 -4.634 1.00 0.00 O ATOM 320 CB ALA A 33 92.947 -7.631 -1.996 1.00 0.00 C ATOM 0 H ALA A 33 94.111 -5.825 -0.711 1.00 0.00 H new ATOM 0 HA ALA A 33 95.013 -8.096 -2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 33 92.613 -8.296 -2.792 1.00 0.00 H new ATOM 0 HB2 ALA A 33 92.892 -8.152 -1.040 1.00 0.00 H new ATOM 0 HB3 ALA A 33 92.306 -6.750 -1.967 1.00 0.00 H new ATOM 326 N GLN A 34 94.365 -5.202 -3.625 1.00 0.00 N ATOM 327 CA GLN A 34 94.458 -4.426 -4.859 1.00 0.00 C ATOM 328 C GLN A 34 95.912 -4.308 -5.302 1.00 0.00 C ATOM 329 O GLN A 34 96.234 -4.472 -6.480 1.00 0.00 O ATOM 330 CB GLN A 34 93.858 -3.033 -4.654 1.00 0.00 C ATOM 331 CG GLN A 34 92.803 -2.664 -5.684 1.00 0.00 C ATOM 332 CD GLN A 34 91.607 -1.967 -5.068 1.00 0.00 C ATOM 333 OE1 GLN A 34 91.751 -1.146 -4.162 1.00 0.00 O ATOM 334 NE2 GLN A 34 90.416 -2.289 -5.559 1.00 0.00 N ATOM 0 H GLN A 34 94.192 -4.644 -2.789 1.00 0.00 H new ATOM 0 HA GLN A 34 93.895 -4.942 -5.637 1.00 0.00 H new ATOM 0 HB2 GLN A 34 93.416 -2.981 -3.659 1.00 0.00 H new ATOM 0 HB3 GLN A 34 94.659 -2.294 -4.686 1.00 0.00 H new ATOM 0 HG2 GLN A 34 93.248 -2.015 -6.438 1.00 0.00 H new ATOM 0 HG3 GLN A 34 92.469 -3.566 -6.196 1.00 0.00 H new ATOM 0 HE21 GLN A 34 90.343 -2.975 -6.310 1.00 0.00 H new ATOM 0 HE22 GLN A 34 89.575 -1.850 -5.185 1.00 0.00 H new ATOM 528 N ASP A 46 111.908 -2.783 -9.712 1.00 0.00 N ATOM 529 CA ASP A 46 113.072 -2.019 -9.269 1.00 0.00 C ATOM 530 C ASP A 46 114.330 -2.522 -9.957 1.00 0.00 C ATOM 531 O ASP A 46 115.426 -2.479 -9.398 1.00 0.00 O ATOM 532 CB ASP A 46 113.223 -2.138 -7.760 1.00 0.00 C ATOM 533 CG ASP A 46 113.411 -0.795 -7.081 1.00 0.00 C ATOM 534 OD1 ASP A 46 114.572 -0.362 -6.931 1.00 0.00 O ATOM 535 OD2 ASP A 46 112.395 -0.175 -6.701 1.00 0.00 O ATOM 0 HA ASP A 46 112.925 -0.972 -9.534 1.00 0.00 H new ATOM 0 HB2 ASP A 46 112.340 -2.628 -7.349 1.00 0.00 H new ATOM 0 HB3 ASP A 46 114.077 -2.777 -7.534 1.00 0.00 H new ATOM 540 N GLU A 47 114.147 -3.017 -11.165 1.00 0.00 N ATOM 541 CA GLU A 47 115.235 -3.561 -11.953 1.00 0.00 C ATOM 542 C GLU A 47 115.008 -3.272 -13.423 1.00 0.00 C ATOM 543 O GLU A 47 115.880 -2.754 -14.121 1.00 0.00 O ATOM 544 CB GLU A 47 115.287 -5.062 -11.747 1.00 0.00 C ATOM 545 CG GLU A 47 116.520 -5.724 -12.340 1.00 0.00 C ATOM 546 CD GLU A 47 117.503 -6.180 -11.282 1.00 0.00 C ATOM 547 OE1 GLU A 47 117.306 -7.280 -10.721 1.00 0.00 O ATOM 548 OE2 GLU A 47 118.470 -5.438 -11.011 1.00 0.00 O ATOM 0 H GLU A 47 113.239 -3.053 -11.628 1.00 0.00 H new ATOM 0 HA GLU A 47 116.172 -3.102 -11.639 1.00 0.00 H new ATOM 0 HB2 GLU A 47 115.252 -5.273 -10.678 1.00 0.00 H new ATOM 0 HB3 GLU A 47 114.398 -5.510 -12.190 1.00 0.00 H new ATOM 0 HG2 GLU A 47 116.214 -6.581 -12.940 1.00 0.00 H new ATOM 0 HG3 GLU A 47 117.015 -5.024 -13.013 1.00 0.00 H new ATOM 555 N LYS A 48 113.813 -3.623 -13.875 1.00 0.00 N ATOM 556 CA LYS A 48 113.413 -3.422 -15.258 1.00 0.00 C ATOM 557 C LYS A 48 112.174 -2.536 -15.329 1.00 0.00 C ATOM 558 O LYS A 48 111.919 -1.901 -16.352 1.00 0.00 O ATOM 559 CB LYS A 48 113.129 -4.766 -15.929 1.00 0.00 C ATOM 560 CG LYS A 48 114.362 -5.418 -16.530 1.00 0.00 C ATOM 561 CD LYS A 48 114.244 -6.934 -16.529 1.00 0.00 C ATOM 562 CE LYS A 48 115.458 -7.590 -17.165 1.00 0.00 C ATOM 563 NZ LYS A 48 115.440 -7.480 -18.651 1.00 0.00 N ATOM 0 H LYS A 48 113.095 -4.055 -13.293 1.00 0.00 H new ATOM 0 HA LYS A 48 114.230 -2.929 -15.785 1.00 0.00 H new ATOM 0 HB2 LYS A 48 112.691 -5.443 -15.196 1.00 0.00 H new ATOM 0 HB3 LYS A 48 112.386 -4.621 -16.713 1.00 0.00 H new ATOM 0 HG2 LYS A 48 114.502 -5.063 -17.551 1.00 0.00 H new ATOM 0 HG3 LYS A 48 115.245 -5.120 -15.965 1.00 0.00 H new ATOM 0 HD2 LYS A 48 114.132 -7.290 -15.505 1.00 0.00 H new ATOM 0 HD3 LYS A 48 113.345 -7.230 -17.069 1.00 0.00 H new ATOM 0 HE2 LYS A 48 116.365 -7.125 -16.778 1.00 0.00 H new ATOM 0 HE3 LYS A 48 115.492 -8.642 -16.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 116.286 -7.940 -19.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 114.588 -7.946 -19.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 115.434 -6.477 -18.925 1.00 0.00 H new ATOM 577 N LEU A 49 111.399 -2.492 -14.239 1.00 0.00 N ATOM 578 CA LEU A 49 110.194 -1.674 -14.212 1.00 0.00 C ATOM 579 C LEU A 49 110.357 -0.480 -13.279 1.00 0.00 C ATOM 580 O LEU A 49 109.620 0.499 -13.390 1.00 0.00 O ATOM 581 CB LEU A 49 108.990 -2.517 -13.802 1.00 0.00 C ATOM 582 CG LEU A 49 108.327 -3.277 -14.953 1.00 0.00 C ATOM 583 CD1 LEU A 49 107.514 -4.452 -14.432 1.00 0.00 C ATOM 584 CD2 LEU A 49 107.450 -2.341 -15.771 1.00 0.00 C ATOM 0 H LEU A 49 111.586 -3.007 -13.379 1.00 0.00 H new ATOM 0 HA LEU A 49 110.025 -1.289 -15.217 1.00 0.00 H new ATOM 0 HB2 LEU A 49 109.305 -3.234 -13.044 1.00 0.00 H new ATOM 0 HB3 LEU A 49 108.248 -1.867 -13.337 1.00 0.00 H new ATOM 0 HG LEU A 49 109.112 -3.670 -15.598 1.00 0.00 H new ATOM 0 HD11 LEU A 49 107.053 -4.975 -15.270 1.00 0.00 H new ATOM 0 HD12 LEU A 49 108.168 -5.136 -13.892 1.00 0.00 H new ATOM 0 HD13 LEU A 49 106.737 -4.087 -13.760 1.00 0.00 H new ATOM 0 HD21 LEU A 49 106.986 -2.897 -16.586 1.00 0.00 H new ATOM 0 HD22 LEU A 49 106.675 -1.918 -15.132 1.00 0.00 H new ATOM 0 HD23 LEU A 49 108.060 -1.537 -16.182 1.00 0.00 H new ATOM 596 N ARG A 50 111.332 -0.542 -12.369 1.00 0.00 N ATOM 597 CA ARG A 50 111.561 0.578 -11.455 1.00 0.00 C ATOM 598 C ARG A 50 113.051 0.850 -11.266 1.00 0.00 C ATOM 599 O ARG A 50 113.495 1.201 -10.173 1.00 0.00 O ATOM 600 CB ARG A 50 110.887 0.336 -10.099 1.00 0.00 C ATOM 601 CG ARG A 50 109.385 0.571 -10.118 1.00 0.00 C ATOM 602 CD ARG A 50 109.036 1.989 -9.688 1.00 0.00 C ATOM 603 NE ARG A 50 107.906 2.018 -8.763 1.00 0.00 N ATOM 604 CZ ARG A 50 107.575 3.079 -8.029 1.00 0.00 C ATOM 605 NH1 ARG A 50 108.286 4.197 -8.111 1.00 0.00 N ATOM 606 NH2 ARG A 50 106.532 3.022 -7.212 1.00 0.00 N ATOM 0 H ARG A 50 111.961 -1.335 -12.246 1.00 0.00 H new ATOM 0 HA ARG A 50 111.111 1.460 -11.909 1.00 0.00 H new ATOM 0 HB2 ARG A 50 111.082 -0.689 -9.783 1.00 0.00 H new ATOM 0 HB3 ARG A 50 111.340 0.991 -9.355 1.00 0.00 H new ATOM 0 HG2 ARG A 50 109.000 0.389 -11.121 1.00 0.00 H new ATOM 0 HG3 ARG A 50 108.896 -0.142 -9.455 1.00 0.00 H new ATOM 0 HD2 ARG A 50 109.904 2.448 -9.215 1.00 0.00 H new ATOM 0 HD3 ARG A 50 108.799 2.587 -10.568 1.00 0.00 H new ATOM 0 HE ARG A 50 107.337 1.176 -8.674 1.00 0.00 H new ATOM 0 HH11 ARG A 50 109.089 4.246 -8.738 1.00 0.00 H new ATOM 0 HH12 ARG A 50 108.029 5.007 -7.547 1.00 0.00 H new ATOM 0 HH21 ARG A 50 105.983 2.165 -7.145 1.00 0.00 H new ATOM 0 HH22 ARG A 50 106.279 3.835 -6.650 1.00 0.00 H new ATOM 620 N ASP A 51 113.815 0.696 -12.343 1.00 0.00 N ATOM 621 CA ASP A 51 115.253 0.938 -12.302 1.00 0.00 C ATOM 622 C ASP A 51 115.578 2.335 -12.819 1.00 0.00 C ATOM 623 O ASP A 51 116.538 2.967 -12.377 1.00 0.00 O ATOM 624 CB ASP A 51 115.990 -0.107 -13.138 1.00 0.00 C ATOM 625 CG ASP A 51 116.973 -0.916 -12.316 1.00 0.00 C ATOM 626 OD1 ASP A 51 116.800 -0.982 -11.080 1.00 0.00 O ATOM 627 OD2 ASP A 51 117.919 -1.480 -12.906 1.00 0.00 O ATOM 0 H ASP A 51 113.462 0.405 -13.255 1.00 0.00 H new ATOM 0 HA ASP A 51 115.582 0.863 -11.266 1.00 0.00 H new ATOM 0 HB2 ASP A 51 115.265 -0.779 -13.597 1.00 0.00 H new ATOM 0 HB3 ASP A 51 116.522 0.390 -13.950 1.00 0.00 H new ATOM 632 N LEU A 52 114.768 2.810 -13.762 1.00 0.00 N ATOM 633 CA LEU A 52 114.958 4.136 -14.345 1.00 0.00 C ATOM 634 C LEU A 52 115.124 5.184 -13.249 1.00 0.00 C ATOM 635 O LEU A 52 115.954 6.086 -13.354 1.00 0.00 O ATOM 636 CB LEU A 52 113.764 4.496 -15.230 1.00 0.00 C ATOM 637 CG LEU A 52 112.395 4.140 -14.638 1.00 0.00 C ATOM 638 CD1 LEU A 52 111.603 5.400 -14.321 1.00 0.00 C ATOM 639 CD2 LEU A 52 111.612 3.239 -15.585 1.00 0.00 C ATOM 0 H LEU A 52 113.972 2.295 -14.139 1.00 0.00 H new ATOM 0 HA LEU A 52 115.863 4.119 -14.953 1.00 0.00 H new ATOM 0 HB2 LEU A 52 113.789 5.567 -15.432 1.00 0.00 H new ATOM 0 HB3 LEU A 52 113.873 3.988 -16.188 1.00 0.00 H new ATOM 0 HG LEU A 52 112.560 3.595 -13.709 1.00 0.00 H new ATOM 0 HD11 LEU A 52 110.635 5.125 -13.902 1.00 0.00 H new ATOM 0 HD12 LEU A 52 112.153 6.003 -13.599 1.00 0.00 H new ATOM 0 HD13 LEU A 52 111.453 5.975 -15.235 1.00 0.00 H new ATOM 0 HD21 LEU A 52 110.645 3.000 -15.143 1.00 0.00 H new ATOM 0 HD22 LEU A 52 111.461 3.753 -16.534 1.00 0.00 H new ATOM 0 HD23 LEU A 52 112.170 2.318 -15.756 1.00 0.00 H new ATOM 651 N TYR A 53 114.330 5.042 -12.195 1.00 0.00 N ATOM 652 CA TYR A 53 114.375 5.962 -11.066 1.00 0.00 C ATOM 653 C TYR A 53 115.730 5.906 -10.373 1.00 0.00 C ATOM 654 O TYR A 53 116.404 6.924 -10.215 1.00 0.00 O ATOM 655 CB TYR A 53 113.275 5.609 -10.067 1.00 0.00 C ATOM 656 CG TYR A 53 112.703 6.810 -9.351 1.00 0.00 C ATOM 657 CD1 TYR A 53 111.953 7.758 -10.037 1.00 0.00 C ATOM 658 CD2 TYR A 53 112.923 7.005 -7.994 1.00 0.00 C ATOM 659 CE1 TYR A 53 111.440 8.866 -9.389 1.00 0.00 C ATOM 660 CE2 TYR A 53 112.411 8.109 -7.338 1.00 0.00 C ATOM 661 CZ TYR A 53 111.670 9.037 -8.040 1.00 0.00 C ATOM 662 OH TYR A 53 111.162 10.139 -7.388 1.00 0.00 O ATOM 0 H TYR A 53 113.643 4.294 -12.099 1.00 0.00 H new ATOM 0 HA TYR A 53 114.219 6.973 -11.442 1.00 0.00 H new ATOM 0 HB2 TYR A 53 112.471 5.092 -10.591 1.00 0.00 H new ATOM 0 HB3 TYR A 53 113.675 4.913 -9.330 1.00 0.00 H new ATOM 0 HD1 TYR A 53 111.768 7.627 -11.093 1.00 0.00 H new ATOM 0 HD2 TYR A 53 113.504 6.282 -7.441 1.00 0.00 H new ATOM 0 HE1 TYR A 53 110.861 9.595 -9.937 1.00 0.00 H new ATOM 0 HE2 TYR A 53 112.590 8.244 -6.282 1.00 0.00 H new ATOM 0 HH TYR A 53 111.415 10.105 -6.442 1.00 0.00 H new ATOM 672 N SER A 54 116.118 4.706 -9.952 1.00 0.00 N ATOM 673 CA SER A 54 117.389 4.504 -9.254 1.00 0.00 C ATOM 674 C SER A 54 118.587 4.573 -10.181 1.00 0.00 C ATOM 675 O SER A 54 119.723 4.379 -9.750 1.00 0.00 O ATOM 676 CB SER A 54 117.380 3.171 -8.513 1.00 0.00 C ATOM 677 OG SER A 54 117.128 2.093 -9.399 1.00 0.00 O ATOM 0 H SER A 54 115.571 3.855 -10.081 1.00 0.00 H new ATOM 0 HA SER A 54 117.488 5.322 -8.541 1.00 0.00 H new ATOM 0 HB2 SER A 54 118.339 3.021 -8.017 1.00 0.00 H new ATOM 0 HB3 SER A 54 116.618 3.190 -7.734 1.00 0.00 H new ATOM 0 HG SER A 54 117.001 2.439 -10.307 1.00 0.00 H new ATOM 683 N LYS A 55 118.344 4.895 -11.432 1.00 0.00 N ATOM 684 CA LYS A 55 119.427 5.038 -12.386 1.00 0.00 C ATOM 685 C LYS A 55 119.700 6.517 -12.621 1.00 0.00 C ATOM 686 O LYS A 55 120.657 6.888 -13.300 1.00 0.00 O ATOM 687 CB LYS A 55 119.099 4.332 -13.703 1.00 0.00 C ATOM 688 CG LYS A 55 119.872 3.040 -13.912 1.00 0.00 C ATOM 689 CD LYS A 55 121.283 3.307 -14.410 1.00 0.00 C ATOM 690 CE LYS A 55 121.357 3.270 -15.928 1.00 0.00 C ATOM 691 NZ LYS A 55 122.568 3.967 -16.447 1.00 0.00 N ATOM 0 H LYS A 55 117.413 5.062 -11.813 1.00 0.00 H new ATOM 0 HA LYS A 55 120.321 4.567 -11.977 1.00 0.00 H new ATOM 0 HB2 LYS A 55 118.031 4.115 -13.733 1.00 0.00 H new ATOM 0 HB3 LYS A 55 119.310 5.009 -14.531 1.00 0.00 H new ATOM 0 HG2 LYS A 55 119.915 2.485 -12.975 1.00 0.00 H new ATOM 0 HG3 LYS A 55 119.345 2.412 -14.630 1.00 0.00 H new ATOM 0 HD2 LYS A 55 121.617 4.281 -14.052 1.00 0.00 H new ATOM 0 HD3 LYS A 55 121.963 2.564 -13.994 1.00 0.00 H new ATOM 0 HE2 LYS A 55 121.363 2.233 -16.265 1.00 0.00 H new ATOM 0 HE3 LYS A 55 120.464 3.736 -16.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 122.578 3.918 -17.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 122.550 4.963 -16.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 123.421 3.507 -16.070 1.00 0.00 H new ATOM 705 N SER A 56 118.856 7.355 -12.017 1.00 0.00 N ATOM 706 CA SER A 56 118.988 8.802 -12.102 1.00 0.00 C ATOM 707 C SER A 56 120.445 9.209 -11.924 1.00 0.00 C ATOM 708 O SER A 56 120.908 10.202 -12.485 1.00 0.00 O ATOM 709 CB SER A 56 118.138 9.441 -11.003 1.00 0.00 C ATOM 710 OG SER A 56 116.867 9.825 -11.496 1.00 0.00 O ATOM 0 H SER A 56 118.063 7.045 -11.456 1.00 0.00 H new ATOM 0 HA SER A 56 118.649 9.141 -13.081 1.00 0.00 H new ATOM 0 HB2 SER A 56 118.014 8.737 -10.180 1.00 0.00 H new ATOM 0 HB3 SER A 56 118.654 10.313 -10.602 1.00 0.00 H new ATOM 0 HG SER A 56 116.344 10.229 -10.772 1.00 0.00 H new ATOM 716 N THR A 57 121.150 8.415 -11.131 1.00 0.00 N ATOM 717 CA THR A 57 122.553 8.649 -10.842 1.00 0.00 C ATOM 718 C THR A 57 123.101 7.559 -9.924 1.00 0.00 C ATOM 719 O THR A 57 124.308 7.316 -9.900 1.00 0.00 O ATOM 720 CB THR A 57 122.737 10.018 -10.186 1.00 0.00 C ATOM 721 OG1 THR A 57 124.073 10.193 -9.750 1.00 0.00 O ATOM 722 CG2 THR A 57 121.833 10.233 -8.991 1.00 0.00 C ATOM 0 H THR A 57 120.763 7.591 -10.671 1.00 0.00 H new ATOM 0 HA THR A 57 123.104 8.626 -11.782 1.00 0.00 H new ATOM 0 HB THR A 57 122.477 10.744 -10.956 1.00 0.00 H new ATOM 0 HG1 THR A 57 124.169 11.076 -9.335 1.00 0.00 H new ATOM 0 HG21 THR A 57 122.013 11.223 -8.572 1.00 0.00 H new ATOM 0 HG22 THR A 57 120.792 10.155 -9.304 1.00 0.00 H new ATOM 0 HG23 THR A 57 122.042 9.476 -8.236 1.00 0.00 H new ATOM 730 N ALA A 58 122.201 6.909 -9.163 1.00 0.00 N ATOM 731 CA ALA A 58 122.572 5.847 -8.226 1.00 0.00 C ATOM 732 C ALA A 58 121.668 5.904 -7.005 1.00 0.00 C ATOM 733 O ALA A 58 122.135 5.802 -5.869 1.00 0.00 O ATOM 734 CB ALA A 58 124.031 5.961 -7.792 1.00 0.00 C ATOM 0 H ALA A 58 121.201 7.109 -9.184 1.00 0.00 H new ATOM 0 HA ALA A 58 122.449 4.892 -8.736 1.00 0.00 H new ATOM 0 HB1 ALA A 58 124.268 5.155 -7.097 1.00 0.00 H new ATOM 0 HB2 ALA A 58 124.678 5.888 -8.666 1.00 0.00 H new ATOM 0 HB3 ALA A 58 124.191 6.921 -7.302 1.00 0.00 H new ATOM 740 N ALA A 59 120.370 6.069 -7.238 1.00 0.00 N ATOM 741 CA ALA A 59 119.420 6.141 -6.132 1.00 0.00 C ATOM 742 C ALA A 59 119.401 4.827 -5.369 1.00 0.00 C ATOM 743 O ALA A 59 119.207 4.802 -4.154 1.00 0.00 O ATOM 744 CB ALA A 59 118.029 6.499 -6.626 1.00 0.00 C ATOM 0 H ALA A 59 119.956 6.154 -8.166 1.00 0.00 H new ATOM 0 HA ALA A 59 119.743 6.932 -5.455 1.00 0.00 H new ATOM 0 HB1 ALA A 59 117.343 6.545 -5.780 1.00 0.00 H new ATOM 0 HB2 ALA A 59 118.058 7.469 -7.123 1.00 0.00 H new ATOM 0 HB3 ALA A 59 117.686 5.740 -7.330 1.00 0.00 H new ATOM 750 N MET A 60 119.617 3.739 -6.093 1.00 0.00 N ATOM 751 CA MET A 60 119.640 2.410 -5.480 1.00 0.00 C ATOM 752 C MET A 60 121.061 2.019 -5.094 1.00 0.00 C ATOM 753 O MET A 60 121.284 1.369 -4.072 1.00 0.00 O ATOM 754 CB MET A 60 119.056 1.358 -6.424 1.00 0.00 C ATOM 755 CG MET A 60 119.858 1.162 -7.702 1.00 0.00 C ATOM 756 SD MET A 60 120.812 -0.368 -7.699 1.00 0.00 S ATOM 757 CE MET A 60 119.709 -1.459 -8.593 1.00 0.00 C ATOM 0 H MET A 60 119.778 3.745 -7.100 1.00 0.00 H new ATOM 0 HA MET A 60 119.025 2.452 -4.581 1.00 0.00 H new ATOM 0 HB2 MET A 60 118.993 0.406 -5.897 1.00 0.00 H new ATOM 0 HB3 MET A 60 118.038 1.645 -6.686 1.00 0.00 H new ATOM 0 HG2 MET A 60 119.179 1.160 -8.555 1.00 0.00 H new ATOM 0 HG3 MET A 60 120.534 2.006 -7.835 1.00 0.00 H new ATOM 0 HE1 MET A 60 120.161 -2.447 -8.673 1.00 0.00 H new ATOM 0 HE2 MET A 60 118.762 -1.536 -8.059 1.00 0.00 H new ATOM 0 HE3 MET A 60 119.532 -1.059 -9.591 1.00 0.00 H new ATOM 767 N SER A 61 122.019 2.419 -5.920 1.00 0.00 N ATOM 768 CA SER A 61 123.423 2.114 -5.674 1.00 0.00 C ATOM 769 C SER A 61 123.932 2.858 -4.444 1.00 0.00 C ATOM 770 O SER A 61 124.735 2.329 -3.675 1.00 0.00 O ATOM 771 CB SER A 61 124.267 2.484 -6.894 1.00 0.00 C ATOM 772 OG SER A 61 123.736 1.907 -8.075 1.00 0.00 O ATOM 0 H SER A 61 121.849 2.957 -6.769 1.00 0.00 H new ATOM 0 HA SER A 61 123.511 1.043 -5.491 1.00 0.00 H new ATOM 0 HB2 SER A 61 124.303 3.568 -7.000 1.00 0.00 H new ATOM 0 HB3 SER A 61 125.292 2.143 -6.748 1.00 0.00 H new ATOM 0 HG SER A 61 124.292 2.160 -8.841 1.00 0.00 H new ATOM 778 N THR A 62 123.460 4.088 -4.263 1.00 0.00 N ATOM 779 CA THR A 62 123.869 4.900 -3.121 1.00 0.00 C ATOM 780 C THR A 62 123.536 4.197 -1.807 1.00 0.00 C ATOM 781 O THR A 62 124.168 4.450 -0.782 1.00 0.00 O ATOM 782 CB THR A 62 123.190 6.272 -3.171 1.00 0.00 C ATOM 783 OG1 THR A 62 123.634 7.011 -4.295 1.00 0.00 O ATOM 784 CG2 THR A 62 123.446 7.116 -1.938 1.00 0.00 C ATOM 0 H THR A 62 122.796 4.543 -4.890 1.00 0.00 H new ATOM 0 HA THR A 62 124.949 5.039 -3.173 1.00 0.00 H new ATOM 0 HB THR A 62 122.122 6.061 -3.232 1.00 0.00 H new ATOM 0 HG1 THR A 62 123.340 6.565 -5.117 1.00 0.00 H new ATOM 0 HG21 THR A 62 122.936 8.074 -2.040 1.00 0.00 H new ATOM 0 HG22 THR A 62 123.069 6.597 -1.057 1.00 0.00 H new ATOM 0 HG23 THR A 62 124.517 7.285 -1.829 1.00 0.00 H new ATOM 792 N TYR A 63 122.547 3.309 -1.846 1.00 0.00 N ATOM 793 CA TYR A 63 122.134 2.568 -0.669 1.00 0.00 C ATOM 794 C TYR A 63 123.215 1.585 -0.251 1.00 0.00 C ATOM 795 O TYR A 63 123.379 1.287 0.932 1.00 0.00 O ATOM 796 CB TYR A 63 120.850 1.822 -0.977 1.00 0.00 C ATOM 797 CG TYR A 63 119.750 2.046 0.037 1.00 0.00 C ATOM 798 CD1 TYR A 63 119.194 3.306 0.220 1.00 0.00 C ATOM 799 CD2 TYR A 63 119.270 0.998 0.811 1.00 0.00 C ATOM 800 CE1 TYR A 63 118.191 3.516 1.148 1.00 0.00 C ATOM 801 CE2 TYR A 63 118.267 1.198 1.740 1.00 0.00 C ATOM 802 CZ TYR A 63 117.732 2.458 1.905 1.00 0.00 C ATOM 803 OH TYR A 63 116.732 2.662 2.830 1.00 0.00 O ATOM 0 H TYR A 63 122.016 3.087 -2.688 1.00 0.00 H new ATOM 0 HA TYR A 63 121.968 3.265 0.152 1.00 0.00 H new ATOM 0 HB2 TYR A 63 120.491 2.127 -1.960 1.00 0.00 H new ATOM 0 HB3 TYR A 63 121.066 0.755 -1.034 1.00 0.00 H new ATOM 0 HD1 TYR A 63 119.551 4.135 -0.373 1.00 0.00 H new ATOM 0 HD2 TYR A 63 119.688 0.010 0.685 1.00 0.00 H new ATOM 0 HE1 TYR A 63 117.770 4.502 1.279 1.00 0.00 H new ATOM 0 HE2 TYR A 63 117.904 0.372 2.334 1.00 0.00 H new ATOM 0 HH TYR A 63 116.523 1.816 3.278 1.00 0.00 H new ATOM 813 N THR A 64 123.961 1.093 -1.234 1.00 0.00 N ATOM 814 CA THR A 64 125.042 0.151 -0.969 1.00 0.00 C ATOM 815 C THR A 64 126.004 0.740 0.053 1.00 0.00 C ATOM 816 O THR A 64 126.705 0.018 0.762 1.00 0.00 O ATOM 817 CB THR A 64 125.787 -0.192 -2.260 1.00 0.00 C ATOM 818 OG1 THR A 64 124.909 -0.160 -3.372 1.00 0.00 O ATOM 819 CG2 THR A 64 126.440 -1.558 -2.230 1.00 0.00 C ATOM 0 H THR A 64 123.838 1.330 -2.218 1.00 0.00 H new ATOM 0 HA THR A 64 124.613 -0.767 -0.567 1.00 0.00 H new ATOM 0 HB THR A 64 126.567 0.564 -2.351 1.00 0.00 H new ATOM 0 HG1 THR A 64 124.920 0.735 -3.771 1.00 0.00 H new ATOM 0 HG21 THR A 64 126.951 -1.738 -3.176 1.00 0.00 H new ATOM 0 HG22 THR A 64 127.162 -1.598 -1.414 1.00 0.00 H new ATOM 0 HG23 THR A 64 125.678 -2.322 -2.078 1.00 0.00 H new ATOM 827 N GLY A 65 126.009 2.063 0.126 1.00 0.00 N ATOM 828 CA GLY A 65 126.860 2.758 1.066 1.00 0.00 C ATOM 829 C GLY A 65 126.131 3.078 2.355 1.00 0.00 C ATOM 830 O GLY A 65 126.759 3.312 3.387 1.00 0.00 O ATOM 0 H GLY A 65 125.433 2.671 -0.456 1.00 0.00 H new ATOM 0 HA2 GLY A 65 127.735 2.146 1.286 1.00 0.00 H new ATOM 0 HA3 GLY A 65 127.222 3.682 0.614 1.00 0.00 H new ATOM 834 N ILE A 66 124.799 3.087 2.298 1.00 0.00 N ATOM 835 CA ILE A 66 123.992 3.376 3.475 1.00 0.00 C ATOM 836 C ILE A 66 123.571 2.095 4.184 1.00 0.00 C ATOM 837 O ILE A 66 123.054 2.133 5.301 1.00 0.00 O ATOM 838 CB ILE A 66 122.733 4.186 3.112 1.00 0.00 C ATOM 839 CG1 ILE A 66 123.096 5.350 2.187 1.00 0.00 C ATOM 840 CG2 ILE A 66 122.047 4.693 4.371 1.00 0.00 C ATOM 841 CD1 ILE A 66 124.043 6.349 2.814 1.00 0.00 C ATOM 0 H ILE A 66 124.262 2.898 1.452 1.00 0.00 H new ATOM 0 HA ILE A 66 124.615 3.969 4.144 1.00 0.00 H new ATOM 0 HB ILE A 66 122.039 3.532 2.584 1.00 0.00 H new ATOM 0 HG12 ILE A 66 123.549 4.953 1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 66 122.183 5.865 1.889 1.00 0.00 H new ATOM 0 HG21 ILE A 66 121.159 5.263 4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 66 121.757 3.846 4.993 1.00 0.00 H new ATOM 0 HG23 ILE A 66 122.733 5.333 4.926 1.00 0.00 H new ATOM 0 HD11 ILE A 66 124.256 7.146 2.101 1.00 0.00 H new ATOM 0 HD12 ILE A 66 123.585 6.774 3.707 1.00 0.00 H new ATOM 0 HD13 ILE A 66 124.972 5.848 3.086 1.00 0.00 H new ATOM 853 N PHE A 67 123.796 0.962 3.530 1.00 0.00 N ATOM 854 CA PHE A 67 123.446 -0.331 4.090 1.00 0.00 C ATOM 855 C PHE A 67 124.275 -0.624 5.334 1.00 0.00 C ATOM 856 O PHE A 67 123.740 -0.968 6.388 1.00 0.00 O ATOM 857 CB PHE A 67 123.674 -1.406 3.034 1.00 0.00 C ATOM 858 CG PHE A 67 122.567 -2.418 2.946 1.00 0.00 C ATOM 859 CD1 PHE A 67 122.412 -3.383 3.929 1.00 0.00 C ATOM 860 CD2 PHE A 67 121.685 -2.408 1.877 1.00 0.00 C ATOM 861 CE1 PHE A 67 121.397 -4.318 3.848 1.00 0.00 C ATOM 862 CE2 PHE A 67 120.668 -3.340 1.791 1.00 0.00 C ATOM 863 CZ PHE A 67 120.524 -4.296 2.777 1.00 0.00 C ATOM 0 H PHE A 67 124.223 0.916 2.605 1.00 0.00 H new ATOM 0 HA PHE A 67 122.396 -0.323 4.384 1.00 0.00 H new ATOM 0 HB2 PHE A 67 123.793 -0.927 2.062 1.00 0.00 H new ATOM 0 HB3 PHE A 67 124.609 -1.923 3.252 1.00 0.00 H new ATOM 0 HD1 PHE A 67 123.092 -3.405 4.768 1.00 0.00 H new ATOM 0 HD2 PHE A 67 121.794 -1.663 1.102 1.00 0.00 H new ATOM 0 HE1 PHE A 67 121.286 -5.065 4.621 1.00 0.00 H new ATOM 0 HE2 PHE A 67 119.987 -3.321 0.953 1.00 0.00 H new ATOM 0 HZ PHE A 67 119.730 -5.025 2.711 1.00 0.00 H new ATOM 873 N THR A 68 125.584 -0.477 5.198 1.00 0.00 N ATOM 874 CA THR A 68 126.510 -0.718 6.299 1.00 0.00 C ATOM 875 C THR A 68 126.423 0.390 7.348 1.00 0.00 C ATOM 876 O THR A 68 126.802 0.194 8.503 1.00 0.00 O ATOM 877 CB THR A 68 127.940 -0.818 5.766 1.00 0.00 C ATOM 878 OG1 THR A 68 127.943 -1.022 4.364 1.00 0.00 O ATOM 879 CG2 THR A 68 128.735 -1.941 6.394 1.00 0.00 C ATOM 0 H THR A 68 126.034 -0.190 4.329 1.00 0.00 H new ATOM 0 HA THR A 68 126.233 -1.659 6.774 1.00 0.00 H new ATOM 0 HB THR A 68 128.410 0.130 6.027 1.00 0.00 H new ATOM 0 HG1 THR A 68 128.867 -1.081 4.044 1.00 0.00 H new ATOM 0 HG21 THR A 68 129.740 -1.956 5.972 1.00 0.00 H new ATOM 0 HG22 THR A 68 128.796 -1.785 7.471 1.00 0.00 H new ATOM 0 HG23 THR A 68 128.243 -2.892 6.193 1.00 0.00 H new ATOM 887 N ASP A 69 125.935 1.557 6.934 1.00 0.00 N ATOM 888 CA ASP A 69 125.809 2.701 7.833 1.00 0.00 C ATOM 889 C ASP A 69 125.033 2.342 9.097 1.00 0.00 C ATOM 890 O ASP A 69 125.258 2.924 10.159 1.00 0.00 O ATOM 891 CB ASP A 69 125.121 3.864 7.112 1.00 0.00 C ATOM 892 CG ASP A 69 125.836 5.184 7.327 1.00 0.00 C ATOM 893 OD1 ASP A 69 127.025 5.163 7.708 1.00 0.00 O ATOM 894 OD2 ASP A 69 125.206 6.241 7.113 1.00 0.00 O ATOM 0 H ASP A 69 125.620 1.735 5.980 1.00 0.00 H new ATOM 0 HA ASP A 69 126.814 3.000 8.131 1.00 0.00 H new ATOM 0 HB2 ASP A 69 125.075 3.649 6.044 1.00 0.00 H new ATOM 0 HB3 ASP A 69 124.093 3.949 7.465 1.00 0.00 H new ATOM 899 N GLN A 70 124.119 1.388 8.978 1.00 0.00 N ATOM 900 CA GLN A 70 123.310 0.963 10.118 1.00 0.00 C ATOM 901 C GLN A 70 123.979 -0.167 10.894 1.00 0.00 C ATOM 902 O GLN A 70 123.431 -0.663 11.879 1.00 0.00 O ATOM 903 CB GLN A 70 121.922 0.526 9.653 1.00 0.00 C ATOM 904 CG GLN A 70 120.895 0.466 10.773 1.00 0.00 C ATOM 905 CD GLN A 70 119.477 0.340 10.254 1.00 0.00 C ATOM 906 OE1 GLN A 70 119.001 1.190 9.502 1.00 0.00 O ATOM 907 NE2 GLN A 70 118.793 -0.726 10.654 1.00 0.00 N ATOM 0 H GLN A 70 123.918 0.894 8.108 1.00 0.00 H new ATOM 0 HA GLN A 70 123.213 1.818 10.787 1.00 0.00 H new ATOM 0 HB2 GLN A 70 121.571 1.217 8.886 1.00 0.00 H new ATOM 0 HB3 GLN A 70 121.997 -0.457 9.187 1.00 0.00 H new ATOM 0 HG2 GLN A 70 121.118 -0.382 11.421 1.00 0.00 H new ATOM 0 HG3 GLN A 70 120.976 1.365 11.385 1.00 0.00 H new ATOM 0 HE21 GLN A 70 119.227 -1.406 11.278 1.00 0.00 H new ATOM 0 HE22 GLN A 70 117.833 -0.865 10.337 1.00 0.00 H new ATOM 916 N VAL A 71 125.167 -0.567 10.455 1.00 0.00 N ATOM 917 CA VAL A 71 125.911 -1.633 11.111 1.00 0.00 C ATOM 918 C VAL A 71 127.056 -1.055 11.929 1.00 0.00 C ATOM 919 O VAL A 71 127.069 -1.160 13.155 1.00 0.00 O ATOM 920 CB VAL A 71 126.472 -2.626 10.078 1.00 0.00 C ATOM 921 CG1 VAL A 71 127.257 -3.740 10.758 1.00 0.00 C ATOM 922 CG2 VAL A 71 125.346 -3.196 9.229 1.00 0.00 C ATOM 0 H VAL A 71 125.637 -0.166 9.643 1.00 0.00 H new ATOM 0 HA VAL A 71 125.224 -2.161 11.772 1.00 0.00 H new ATOM 0 HB VAL A 71 127.160 -2.088 9.425 1.00 0.00 H new ATOM 0 HG11 VAL A 71 127.642 -4.427 10.004 1.00 0.00 H new ATOM 0 HG12 VAL A 71 128.089 -3.311 11.316 1.00 0.00 H new ATOM 0 HG13 VAL A 71 126.603 -4.281 11.442 1.00 0.00 H new ATOM 0 HG21 VAL A 71 125.757 -3.897 8.502 1.00 0.00 H new ATOM 0 HG22 VAL A 71 124.633 -3.714 9.870 1.00 0.00 H new ATOM 0 HG23 VAL A 71 124.839 -2.386 8.705 1.00 0.00 H new ATOM 932 N LEU A 72 128.011 -0.435 11.245 1.00 0.00 N ATOM 933 CA LEU A 72 129.156 0.168 11.913 1.00 0.00 C ATOM 934 C LEU A 72 128.699 1.171 12.965 1.00 0.00 C ATOM 935 O LEU A 72 129.396 1.416 13.948 1.00 0.00 O ATOM 936 CB LEU A 72 130.072 0.840 10.889 1.00 0.00 C ATOM 937 CG LEU A 72 129.358 1.721 9.857 1.00 0.00 C ATOM 938 CD1 LEU A 72 129.671 3.190 10.095 1.00 0.00 C ATOM 939 CD2 LEU A 72 129.752 1.316 8.443 1.00 0.00 C ATOM 0 H LEU A 72 128.014 -0.337 10.230 1.00 0.00 H new ATOM 0 HA LEU A 72 129.717 -0.619 12.417 1.00 0.00 H new ATOM 0 HB2 LEU A 72 130.801 1.450 11.422 1.00 0.00 H new ATOM 0 HB3 LEU A 72 130.629 0.067 10.360 1.00 0.00 H new ATOM 0 HG LEU A 72 128.284 1.576 9.971 1.00 0.00 H new ATOM 0 HD11 LEU A 72 129.154 3.797 9.352 1.00 0.00 H new ATOM 0 HD12 LEU A 72 129.338 3.476 11.093 1.00 0.00 H new ATOM 0 HD13 LEU A 72 130.746 3.351 10.012 1.00 0.00 H new ATOM 0 HD21 LEU A 72 129.235 1.953 7.725 1.00 0.00 H new ATOM 0 HD22 LEU A 72 130.829 1.429 8.319 1.00 0.00 H new ATOM 0 HD23 LEU A 72 129.474 0.276 8.272 1.00 0.00 H new ATOM 951 N SER A 73 127.512 1.732 12.760 1.00 0.00 N ATOM 952 CA SER A 73 126.945 2.692 13.698 1.00 0.00 C ATOM 953 C SER A 73 126.287 1.979 14.871 1.00 0.00 C ATOM 954 O SER A 73 125.986 2.592 15.896 1.00 0.00 O ATOM 955 CB SER A 73 125.908 3.560 13.000 1.00 0.00 C ATOM 956 OG SER A 73 126.503 4.376 12.007 1.00 0.00 O ATOM 0 H SER A 73 126.923 1.537 11.950 1.00 0.00 H new ATOM 0 HA SER A 73 127.757 3.316 14.070 1.00 0.00 H new ATOM 0 HB2 SER A 73 125.147 2.926 12.545 1.00 0.00 H new ATOM 0 HB3 SER A 73 125.402 4.187 13.734 1.00 0.00 H new ATOM 0 HG SER A 73 126.231 4.062 11.119 1.00 0.00 H new ATOM 962 N VAL A 74 126.051 0.683 14.708 1.00 0.00 N ATOM 963 CA VAL A 74 125.413 -0.113 15.742 1.00 0.00 C ATOM 964 C VAL A 74 126.372 -1.130 16.343 1.00 0.00 C ATOM 965 O VAL A 74 126.119 -1.654 17.427 1.00 0.00 O ATOM 966 CB VAL A 74 124.193 -0.868 15.183 1.00 0.00 C ATOM 967 CG1 VAL A 74 123.495 -1.656 16.285 1.00 0.00 C ATOM 968 CG2 VAL A 74 123.227 0.095 14.511 1.00 0.00 C ATOM 0 H VAL A 74 126.294 0.162 13.865 1.00 0.00 H new ATOM 0 HA VAL A 74 125.097 0.584 16.518 1.00 0.00 H new ATOM 0 HB VAL A 74 124.544 -1.575 14.432 1.00 0.00 H new ATOM 0 HG11 VAL A 74 122.636 -2.182 15.868 1.00 0.00 H new ATOM 0 HG12 VAL A 74 124.190 -2.379 16.712 1.00 0.00 H new ATOM 0 HG13 VAL A 74 123.159 -0.972 17.064 1.00 0.00 H new ATOM 0 HG21 VAL A 74 122.372 -0.459 14.123 1.00 0.00 H new ATOM 0 HG22 VAL A 74 122.883 0.831 15.237 1.00 0.00 H new ATOM 0 HG23 VAL A 74 123.733 0.604 13.690 1.00 0.00 H new ATOM 978 N LEU A 75 127.464 -1.428 15.643 1.00 0.00 N ATOM 979 CA LEU A 75 128.411 -2.406 16.159 1.00 0.00 C ATOM 980 C LEU A 75 129.370 -1.771 17.158 1.00 0.00 C ATOM 981 O LEU A 75 129.761 -2.409 18.136 1.00 0.00 O ATOM 982 CB LEU A 75 129.173 -3.102 15.024 1.00 0.00 C ATOM 983 CG LEU A 75 130.291 -2.293 14.365 1.00 0.00 C ATOM 984 CD1 LEU A 75 131.594 -2.445 15.137 1.00 0.00 C ATOM 985 CD2 LEU A 75 130.479 -2.742 12.925 1.00 0.00 C ATOM 0 H LEU A 75 127.709 -1.018 14.742 1.00 0.00 H new ATOM 0 HA LEU A 75 127.839 -3.169 16.686 1.00 0.00 H new ATOM 0 HB2 LEU A 75 129.603 -4.024 15.415 1.00 0.00 H new ATOM 0 HB3 LEU A 75 128.456 -3.386 14.254 1.00 0.00 H new ATOM 0 HG LEU A 75 130.008 -1.240 14.376 1.00 0.00 H new ATOM 0 HD11 LEU A 75 132.375 -1.861 14.650 1.00 0.00 H new ATOM 0 HD12 LEU A 75 131.456 -2.088 16.157 1.00 0.00 H new ATOM 0 HD13 LEU A 75 131.885 -3.495 15.157 1.00 0.00 H new ATOM 0 HD21 LEU A 75 131.277 -2.160 12.464 1.00 0.00 H new ATOM 0 HD22 LEU A 75 130.743 -3.799 12.905 1.00 0.00 H new ATOM 0 HD23 LEU A 75 129.552 -2.589 12.372 1.00 0.00 H new ATOM 997 N LYS A 76 129.756 -0.523 16.914 1.00 0.00 N ATOM 998 CA LYS A 76 130.674 0.163 17.804 1.00 0.00 C ATOM 999 C LYS A 76 130.194 1.579 18.109 1.00 0.00 C ATOM 1000 O LYS A 76 129.643 1.850 19.175 1.00 0.00 O ATOM 1001 CB LYS A 76 132.039 0.205 17.141 1.00 0.00 C ATOM 1002 CG LYS A 76 133.070 -0.706 17.789 1.00 0.00 C ATOM 1003 CD LYS A 76 134.440 -0.530 17.155 1.00 0.00 C ATOM 1004 CE LYS A 76 135.358 -1.699 17.474 1.00 0.00 C ATOM 1005 NZ LYS A 76 136.733 -1.493 16.938 1.00 0.00 N ATOM 0 H LYS A 76 129.448 0.027 16.112 1.00 0.00 H new ATOM 0 HA LYS A 76 130.728 -0.375 18.751 1.00 0.00 H new ATOM 0 HB2 LYS A 76 131.931 -0.073 16.093 1.00 0.00 H new ATOM 0 HB3 LYS A 76 132.410 1.230 17.162 1.00 0.00 H new ATOM 0 HG2 LYS A 76 133.130 -0.489 18.856 1.00 0.00 H new ATOM 0 HG3 LYS A 76 132.753 -1.744 17.692 1.00 0.00 H new ATOM 0 HD2 LYS A 76 134.332 -0.436 16.074 1.00 0.00 H new ATOM 0 HD3 LYS A 76 134.891 0.396 17.513 1.00 0.00 H new ATOM 0 HE2 LYS A 76 135.407 -1.837 18.554 1.00 0.00 H new ATOM 0 HE3 LYS A 76 134.939 -2.614 17.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 137.326 -2.313 17.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 136.690 -1.387 15.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 137.144 -0.635 17.357 1.00 0.00 H new ATOM 1019 N GLY A 77 130.415 2.471 17.154 1.00 0.00 N ATOM 1020 CA GLY A 77 130.019 3.855 17.301 1.00 0.00 C ATOM 1021 C GLY A 77 130.194 4.599 15.999 1.00 0.00 C ATOM 1022 O GLY A 77 130.780 5.681 15.960 1.00 0.00 O ATOM 0 H GLY A 77 130.869 2.255 16.267 1.00 0.00 H new ATOM 0 HA2 GLY A 77 128.978 3.909 17.620 1.00 0.00 H new ATOM 0 HA3 GLY A 77 130.616 4.329 18.080 1.00 0.00 H new ATOM 1026 N GLU A 78 129.689 3.994 14.926 1.00 0.00 N ATOM 1027 CA GLU A 78 129.784 4.560 13.594 1.00 0.00 C ATOM 1028 C GLU A 78 131.165 4.304 13.009 1.00 0.00 C ATOM 1029 O GLU A 78 131.909 5.236 12.702 1.00 0.00 O ATOM 1030 CB GLU A 78 129.472 6.047 13.637 1.00 0.00 C ATOM 1031 CG GLU A 78 128.943 6.603 12.326 1.00 0.00 C ATOM 1032 CD GLU A 78 127.919 7.701 12.529 1.00 0.00 C ATOM 1033 OE1 GLU A 78 126.715 7.381 12.616 1.00 0.00 O ATOM 1034 OE2 GLU A 78 128.320 8.881 12.600 1.00 0.00 O ATOM 0 H GLU A 78 129.203 3.098 14.962 1.00 0.00 H new ATOM 0 HA GLU A 78 129.051 4.077 12.947 1.00 0.00 H new ATOM 0 HB2 GLU A 78 128.738 6.232 14.421 1.00 0.00 H new ATOM 0 HB3 GLU A 78 130.376 6.590 13.912 1.00 0.00 H new ATOM 0 HG2 GLU A 78 129.775 6.991 11.738 1.00 0.00 H new ATOM 0 HG3 GLU A 78 128.494 5.795 11.748 1.00 0.00 H new ATOM 1041 N GLU A 79 131.504 3.025 12.871 1.00 0.00 N ATOM 1042 CA GLU A 79 132.800 2.638 12.330 1.00 0.00 C ATOM 1043 C GLU A 79 132.840 2.839 10.820 1.00 0.00 C ATOM 1044 O GLU A 79 133.179 3.960 10.382 1.00 0.00 O ATOM 1045 CB GLU A 79 133.108 1.179 12.670 1.00 0.00 C ATOM 1046 CG GLU A 79 134.527 0.760 12.317 1.00 0.00 C ATOM 1047 CD GLU A 79 134.993 -0.452 13.101 1.00 0.00 C ATOM 1048 OE1 GLU A 79 134.183 -1.382 13.292 1.00 0.00 O ATOM 1049 OE2 GLU A 79 136.169 -0.471 13.522 1.00 0.00 O ATOM 0 H GLU A 79 130.901 2.243 13.126 1.00 0.00 H new ATOM 0 HA GLU A 79 133.558 3.275 12.785 1.00 0.00 H new ATOM 0 HB2 GLU A 79 132.946 1.021 13.736 1.00 0.00 H new ATOM 0 HB3 GLU A 79 132.405 0.535 12.141 1.00 0.00 H new ATOM 0 HG2 GLU A 79 134.582 0.541 11.251 1.00 0.00 H new ATOM 0 HG3 GLU A 79 135.205 1.592 12.506 1.00 0.00 H new