USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 701 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 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -146:sc= 0.578 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -169:sc= 0.0209 (180deg=-0.154) USER MOD Single : A 40 LYS NZ :NH3+ -112:sc= 0.802 (180deg=-0.33) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.015 USER MOD Single : A 53 SER OG : rot -152:sc= 0.331 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 154:sc=-0.00857 (180deg=-0.684) USER MOD Single : A 66 GLN : amide:sc= 0.0963 X(o=0.096,f=-0.014) USER MOD Single : A 70 SER OG : rot -159:sc= 1.22 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 -12.645 -12.352 5.099 1.00 63.03 N ATOM 42 CA LEU A 4 -12.375 -11.198 4.233 1.00 61.01 C ATOM 43 C LEU A 4 -11.734 -11.669 2.912 1.00 72.31 C ATOM 44 O LEU A 4 -11.504 -12.865 2.718 1.00 62.45 O ATOM 45 CB LEU A 4 -11.480 -10.207 5.005 1.00 33.32 C ATOM 46 CG LEU A 4 -12.182 -9.623 6.259 1.00 71.32 C ATOM 47 CD1 LEU A 4 -11.257 -9.558 7.481 1.00 63.21 C ATOM 48 CD2 LEU A 4 -12.755 -8.232 5.984 1.00 4.53 C ATOM 0 HA LEU A 4 -13.300 -10.686 3.967 1.00 61.01 H new ATOM 0 HB2 LEU A 4 -10.563 -10.712 5.308 1.00 33.32 H new ATOM 0 HB3 LEU A 4 -11.191 -9.392 4.342 1.00 33.32 H new ATOM 0 HG LEU A 4 -12.996 -10.311 6.488 1.00 71.32 H new ATOM 0 HD11 LEU A 4 -11.802 -9.141 8.328 1.00 63.21 H new ATOM 0 HD12 LEU A 4 -10.912 -10.562 7.730 1.00 63.21 H new ATOM 0 HD13 LEU A 4 -10.399 -8.925 7.255 1.00 63.21 H new ATOM 0 HD21 LEU A 4 -13.239 -7.854 6.884 1.00 4.53 H new ATOM 0 HD22 LEU A 4 -11.949 -7.557 5.695 1.00 4.53 H new ATOM 0 HD23 LEU A 4 -13.485 -8.292 5.177 1.00 4.53 H new ATOM 59 N SER A 5 -11.433 -10.753 1.986 1.00 24.42 N ATOM 60 CA SER A 5 -10.589 -11.016 0.814 1.00 33.43 C ATOM 61 C SER A 5 -9.735 -9.784 0.500 1.00 64.22 C ATOM 62 O SER A 5 -9.953 -8.725 1.094 1.00 64.44 O ATOM 63 CB SER A 5 -11.429 -11.384 -0.420 1.00 30.20 C ATOM 64 OG SER A 5 -12.613 -12.076 -0.093 1.00 13.11 O ATOM 0 H SER A 5 -11.774 -9.793 2.030 1.00 24.42 H new ATOM 0 HA SER A 5 -9.947 -11.864 1.052 1.00 33.43 H new ATOM 0 HB2 SER A 5 -11.684 -10.474 -0.963 1.00 30.20 H new ATOM 0 HB3 SER A 5 -10.829 -11.998 -1.091 1.00 30.20 H new ATOM 0 HG SER A 5 -13.108 -12.283 -0.913 1.00 13.11 H new ATOM 69 N THR A 6 -8.821 -9.908 -0.467 1.00 12.10 N ATOM 70 CA THR A 6 -7.972 -8.822 -0.925 1.00 24.32 C ATOM 71 C THR A 6 -8.802 -7.592 -1.308 1.00 24.41 C ATOM 72 O THR A 6 -8.522 -6.492 -0.821 1.00 64.01 O ATOM 73 CB THR A 6 -7.038 -9.310 -2.051 1.00 74.12 C ATOM 74 OG1 THR A 6 -6.328 -10.469 -1.652 1.00 63.42 O ATOM 75 CG2 THR A 6 -6.032 -8.202 -2.354 1.00 23.13 C ATOM 0 H THR A 6 -8.653 -10.786 -0.958 1.00 12.10 H new ATOM 0 HA THR A 6 -7.330 -8.500 -0.105 1.00 24.32 H new ATOM 0 HB THR A 6 -7.637 -9.552 -2.929 1.00 74.12 H new ATOM 0 HG1 THR A 6 -5.436 -10.463 -2.059 1.00 63.42 H new ATOM 0 HG21 THR A 6 -5.361 -8.527 -3.149 1.00 23.13 H new ATOM 0 HG22 THR A 6 -6.563 -7.305 -2.672 1.00 23.13 H new ATOM 0 HG23 THR A 6 -5.453 -7.982 -1.458 1.00 23.13 H new ATOM 83 N ASP A 7 -9.823 -7.771 -2.153 1.00 1.23 N ATOM 84 CA ASP A 7 -10.662 -6.659 -2.599 1.00 11.34 C ATOM 85 C ASP A 7 -11.401 -6.022 -1.423 1.00 23.22 C ATOM 86 O ASP A 7 -11.483 -4.797 -1.340 1.00 30.03 O ATOM 87 CB ASP A 7 -11.641 -7.062 -3.707 1.00 10.54 C ATOM 88 CG ASP A 7 -12.885 -7.799 -3.218 1.00 32.02 C ATOM 89 OD1 ASP A 7 -12.758 -8.800 -2.482 1.00 65.21 O ATOM 90 OD2 ASP A 7 -13.998 -7.397 -3.621 1.00 33.21 O ATOM 0 H ASP A 7 -10.087 -8.677 -2.541 1.00 1.23 H new ATOM 0 HA ASP A 7 -9.990 -5.917 -3.029 1.00 11.34 H new ATOM 0 HB2 ASP A 7 -11.953 -6.165 -4.242 1.00 10.54 H new ATOM 0 HB3 ASP A 7 -11.118 -7.695 -4.424 1.00 10.54 H new ATOM 94 N ILE A 8 -11.873 -6.841 -0.479 1.00 31.20 N ATOM 95 CA ILE A 8 -12.622 -6.399 0.688 1.00 32.02 C ATOM 96 C ILE A 8 -11.807 -5.387 1.497 1.00 2.14 C ATOM 97 O ILE A 8 -12.348 -4.366 1.931 1.00 33.04 O ATOM 98 CB ILE A 8 -13.059 -7.581 1.568 1.00 41.11 C ATOM 99 CG1 ILE A 8 -13.777 -8.694 0.789 1.00 14.54 C ATOM 100 CG2 ILE A 8 -13.965 -7.078 2.697 1.00 34.24 C ATOM 101 CD1 ILE A 8 -15.042 -8.273 0.043 1.00 71.25 C ATOM 0 H ILE A 8 -11.739 -7.852 -0.511 1.00 31.20 H new ATOM 0 HA ILE A 8 -13.529 -5.910 0.332 1.00 32.02 H new ATOM 0 HB ILE A 8 -12.147 -8.020 1.972 1.00 41.11 H new ATOM 0 HG12 ILE A 8 -13.077 -9.117 0.069 1.00 14.54 H new ATOM 0 HG13 ILE A 8 -14.037 -9.490 1.486 1.00 14.54 H new ATOM 0 HG21 ILE A 8 -14.273 -7.919 3.319 1.00 34.24 H new ATOM 0 HG22 ILE A 8 -13.421 -6.356 3.306 1.00 34.24 H new ATOM 0 HG23 ILE A 8 -14.847 -6.600 2.270 1.00 34.24 H new ATOM 0 HD11 ILE A 8 -15.466 -9.136 -0.471 1.00 71.25 H new ATOM 0 HD12 ILE A 8 -15.770 -7.880 0.753 1.00 71.25 H new ATOM 0 HD13 ILE A 8 -14.795 -7.502 -0.686 1.00 71.25 H new ATOM 112 N TRP A 9 -10.525 -5.668 1.742 1.00 25.43 N ATOM 113 CA TRP A 9 -9.698 -4.762 2.524 1.00 30.13 C ATOM 114 C TRP A 9 -9.469 -3.460 1.772 1.00 4.21 C ATOM 115 O TRP A 9 -9.715 -2.393 2.341 1.00 71.21 O ATOM 116 CB TRP A 9 -8.372 -5.403 2.898 1.00 73.05 C ATOM 117 CG TRP A 9 -8.447 -6.641 3.723 1.00 33.20 C ATOM 118 CD1 TRP A 9 -9.147 -6.824 4.863 1.00 44.52 C ATOM 119 CD2 TRP A 9 -7.785 -7.898 3.447 1.00 21.40 C ATOM 120 NE1 TRP A 9 -8.915 -8.101 5.334 1.00 65.24 N ATOM 121 CE2 TRP A 9 -8.146 -8.833 4.454 1.00 65.31 C ATOM 122 CE3 TRP A 9 -6.929 -8.329 2.420 1.00 14.52 C ATOM 123 CZ2 TRP A 9 -7.724 -10.168 4.410 1.00 52.52 C ATOM 124 CZ3 TRP A 9 -6.509 -9.667 2.351 1.00 44.34 C ATOM 125 CH2 TRP A 9 -6.920 -10.583 3.335 1.00 3.13 C ATOM 0 H TRP A 9 -10.047 -6.506 1.412 1.00 25.43 H new ATOM 0 HA TRP A 9 -10.232 -4.540 3.448 1.00 30.13 H new ATOM 0 HB2 TRP A 9 -7.834 -5.636 1.979 1.00 73.05 H new ATOM 0 HB3 TRP A 9 -7.777 -4.667 3.439 1.00 73.05 H new ATOM 0 HD1 TRP A 9 -9.786 -6.090 5.331 1.00 44.52 H new ATOM 0 HE1 TRP A 9 -9.268 -8.458 6.222 1.00 65.24 H new ATOM 0 HE3 TRP A 9 -6.590 -7.624 1.676 1.00 14.52 H new ATOM 0 HZ2 TRP A 9 -8.010 -10.863 5.185 1.00 52.52 H new ATOM 0 HZ3 TRP A 9 -5.871 -9.992 1.543 1.00 44.34 H new ATOM 0 HH2 TRP A 9 -6.615 -11.616 3.264 1.00 3.13 H new ATOM 135 N VAL A 10 -9.046 -3.551 0.505 1.00 10.33 N ATOM 136 CA VAL A 10 -8.797 -2.381 -0.332 1.00 31.21 C ATOM 137 C VAL A 10 -10.044 -1.492 -0.381 1.00 53.52 C ATOM 138 O VAL A 10 -9.929 -0.264 -0.397 1.00 23.01 O ATOM 139 CB VAL A 10 -8.325 -2.827 -1.737 1.00 5.20 C ATOM 140 CG1 VAL A 10 -8.190 -1.653 -2.718 1.00 32.03 C ATOM 141 CG2 VAL A 10 -6.968 -3.550 -1.674 1.00 1.11 C ATOM 0 H VAL A 10 -8.868 -4.439 0.036 1.00 10.33 H new ATOM 0 HA VAL A 10 -7.996 -1.781 0.100 1.00 31.21 H new ATOM 0 HB VAL A 10 -9.099 -3.505 -2.098 1.00 5.20 H new ATOM 0 HG11 VAL A 10 -7.856 -2.025 -3.687 1.00 32.03 H new ATOM 0 HG12 VAL A 10 -9.156 -1.161 -2.832 1.00 32.03 H new ATOM 0 HG13 VAL A 10 -7.462 -0.939 -2.333 1.00 32.03 H new ATOM 0 HG21 VAL A 10 -6.668 -3.849 -2.678 1.00 1.11 H new ATOM 0 HG22 VAL A 10 -6.218 -2.879 -1.255 1.00 1.11 H new ATOM 0 HG23 VAL A 10 -7.056 -4.435 -1.043 1.00 1.11 H new ATOM 151 N ALA A 11 -11.240 -2.088 -0.352 1.00 11.52 N ATOM 152 CA ALA A 11 -12.481 -1.348 -0.293 1.00 11.54 C ATOM 153 C ALA A 11 -12.501 -0.433 0.934 1.00 3.34 C ATOM 154 O ALA A 11 -12.568 0.788 0.797 1.00 25.12 O ATOM 155 CB ALA A 11 -13.681 -2.310 -0.324 1.00 32.32 C ATOM 0 H ALA A 11 -11.363 -3.100 -0.369 1.00 11.52 H new ATOM 0 HA ALA A 11 -12.558 -0.708 -1.172 1.00 11.54 H new ATOM 0 HB1 ALA A 11 -14.607 -1.738 -0.279 1.00 32.32 H new ATOM 0 HB2 ALA A 11 -13.658 -2.891 -1.246 1.00 32.32 H new ATOM 0 HB3 ALA A 11 -13.629 -2.984 0.531 1.00 32.32 H new ATOM 161 N ALA A 12 -12.453 -1.010 2.137 1.00 54.12 N ATOM 162 CA ALA A 12 -12.618 -0.246 3.368 1.00 44.53 C ATOM 163 C ALA A 12 -11.517 0.788 3.529 1.00 62.35 C ATOM 164 O ALA A 12 -11.788 1.925 3.899 1.00 13.44 O ATOM 165 CB ALA A 12 -12.634 -1.167 4.585 1.00 74.25 C ATOM 0 H ALA A 12 -12.300 -2.008 2.281 1.00 54.12 H new ATOM 0 HA ALA A 12 -13.575 0.271 3.300 1.00 44.53 H new ATOM 0 HB1 ALA A 12 -12.758 -0.572 5.490 1.00 74.25 H new ATOM 0 HB2 ALA A 12 -13.461 -1.871 4.497 1.00 74.25 H new ATOM 0 HB3 ALA A 12 -11.694 -1.716 4.638 1.00 74.25 H new ATOM 171 N LEU A 13 -10.274 0.393 3.288 1.00 74.42 N ATOM 172 CA LEU A 13 -9.119 1.257 3.415 1.00 72.21 C ATOM 173 C LEU A 13 -9.205 2.470 2.489 1.00 33.23 C ATOM 174 O LEU A 13 -8.996 3.591 2.962 1.00 3.32 O ATOM 175 CB LEU A 13 -7.864 0.410 3.224 1.00 34.12 C ATOM 176 CG LEU A 13 -6.604 1.273 3.097 1.00 10.14 C ATOM 177 CD1 LEU A 13 -6.352 2.128 4.351 1.00 31.43 C ATOM 178 CD2 LEU A 13 -5.387 0.363 2.938 1.00 32.40 C ATOM 0 H LEU A 13 -10.041 -0.555 2.994 1.00 74.42 H new ATOM 0 HA LEU A 13 -9.081 1.694 4.413 1.00 72.21 H new ATOM 0 HB2 LEU A 13 -7.754 -0.271 4.068 1.00 34.12 H new ATOM 0 HB3 LEU A 13 -7.974 -0.205 2.331 1.00 34.12 H new ATOM 0 HG LEU A 13 -6.754 1.926 2.237 1.00 10.14 H new ATOM 0 HD11 LEU A 13 -5.448 2.721 4.211 1.00 31.43 H new ATOM 0 HD12 LEU A 13 -7.200 2.792 4.515 1.00 31.43 H new ATOM 0 HD13 LEU A 13 -6.229 1.477 5.216 1.00 31.43 H new ATOM 0 HD21 LEU A 13 -4.487 0.971 2.847 1.00 32.40 H new ATOM 0 HD22 LEU A 13 -5.301 -0.285 3.810 1.00 32.40 H new ATOM 0 HD23 LEU A 13 -5.504 -0.248 2.043 1.00 32.40 H new ATOM 189 N ILE A 14 -9.531 2.304 1.204 1.00 44.35 N ATOM 190 CA ILE A 14 -9.781 3.451 0.328 1.00 53.24 C ATOM 191 C ILE A 14 -10.809 4.384 0.956 1.00 10.20 C ATOM 192 O ILE A 14 -10.557 5.586 1.071 1.00 44.34 O ATOM 193 CB ILE A 14 -10.152 2.967 -1.082 1.00 22.12 C ATOM 194 CG1 ILE A 14 -8.901 2.476 -1.836 1.00 43.54 C ATOM 195 CG2 ILE A 14 -10.912 4.006 -1.924 1.00 71.14 C ATOM 196 CD1 ILE A 14 -7.918 3.589 -2.208 1.00 24.22 C ATOM 0 H ILE A 14 -9.627 1.395 0.751 1.00 44.35 H new ATOM 0 HA ILE A 14 -8.873 4.043 0.215 1.00 53.24 H new ATOM 0 HB ILE A 14 -10.843 2.137 -0.935 1.00 22.12 H new ATOM 0 HG12 ILE A 14 -8.384 1.740 -1.220 1.00 43.54 H new ATOM 0 HG13 ILE A 14 -9.216 1.965 -2.746 1.00 43.54 H new ATOM 0 HG21 ILE A 14 -11.136 3.586 -2.905 1.00 71.14 H new ATOM 0 HG22 ILE A 14 -11.842 4.271 -1.422 1.00 71.14 H new ATOM 0 HG23 ILE A 14 -10.297 4.898 -2.043 1.00 71.14 H new ATOM 0 HD11 ILE A 14 -7.066 3.160 -2.735 1.00 24.22 H new ATOM 0 HD12 ILE A 14 -8.416 4.314 -2.852 1.00 24.22 H new ATOM 0 HD13 ILE A 14 -7.571 4.086 -1.302 1.00 24.22 H new ATOM 207 N ARG A 15 -11.919 3.813 1.424 1.00 50.25 N ATOM 208 CA ARG A 15 -13.013 4.600 2.000 1.00 30.31 C ATOM 209 C ARG A 15 -12.491 5.385 3.203 1.00 5.20 C ATOM 210 O ARG A 15 -12.724 6.582 3.290 1.00 14.10 O ATOM 211 CB ARG A 15 -14.245 3.737 2.357 1.00 74.34 C ATOM 212 CG ARG A 15 -14.774 2.887 1.182 1.00 45.43 C ATOM 213 CD ARG A 15 -16.205 3.201 0.705 1.00 42.51 C ATOM 214 NE ARG A 15 -17.187 2.184 1.108 1.00 64.14 N ATOM 215 CZ ARG A 15 -17.288 0.949 0.597 1.00 41.43 C ATOM 216 NH1 ARG A 15 -16.460 0.496 -0.341 1.00 44.54 N ATOM 217 NH2 ARG A 15 -18.219 0.133 1.065 1.00 65.32 N ATOM 0 H ARG A 15 -12.086 2.807 1.416 1.00 50.25 H new ATOM 0 HA ARG A 15 -13.365 5.303 1.245 1.00 30.31 H new ATOM 0 HB2 ARG A 15 -13.986 3.075 3.184 1.00 74.34 H new ATOM 0 HB3 ARG A 15 -15.044 4.390 2.709 1.00 74.34 H new ATOM 0 HG2 ARG A 15 -14.096 3.011 0.337 1.00 45.43 H new ATOM 0 HG3 ARG A 15 -14.732 1.837 1.473 1.00 45.43 H new ATOM 0 HD2 ARG A 15 -16.510 4.169 1.104 1.00 42.51 H new ATOM 0 HD3 ARG A 15 -16.208 3.289 -0.381 1.00 42.51 H new ATOM 0 HE ARG A 15 -17.849 2.441 1.840 1.00 64.14 H new ATOM 0 HH11 ARG A 15 -15.715 1.095 -0.697 1.00 44.54 H new ATOM 0 HH12 ARG A 15 -16.570 -0.451 -0.704 1.00 44.54 H new ATOM 0 HH21 ARG A 15 -18.847 0.447 1.805 1.00 65.32 H new ATOM 0 HH22 ARG A 15 -18.308 -0.810 0.686 1.00 65.32 H new ATOM 228 N ARG A 16 -11.732 4.747 4.101 1.00 25.02 N ATOM 229 CA ARG A 16 -11.171 5.357 5.308 1.00 61.03 C ATOM 230 C ARG A 16 -10.351 6.605 4.981 1.00 24.02 C ATOM 231 O ARG A 16 -10.522 7.621 5.650 1.00 21.02 O ATOM 232 CB ARG A 16 -10.324 4.319 6.068 1.00 31.33 C ATOM 233 CG ARG A 16 -11.183 3.253 6.769 1.00 50.22 C ATOM 234 CD ARG A 16 -10.404 1.947 6.988 1.00 2.11 C ATOM 235 NE ARG A 16 -11.109 1.044 7.909 1.00 22.44 N ATOM 236 CZ ARG A 16 -11.013 1.030 9.241 1.00 22.41 C ATOM 237 NH1 ARG A 16 -10.247 1.904 9.891 1.00 70.21 N ATOM 238 NH2 ARG A 16 -11.698 0.122 9.926 1.00 41.15 N ATOM 0 H ARG A 16 -11.485 3.762 4.003 1.00 25.02 H new ATOM 0 HA ARG A 16 -11.994 5.678 5.946 1.00 61.03 H new ATOM 0 HB2 ARG A 16 -9.643 3.831 5.371 1.00 31.33 H new ATOM 0 HB3 ARG A 16 -9.709 4.830 6.809 1.00 31.33 H new ATOM 0 HG2 ARG A 16 -11.527 3.637 7.730 1.00 50.22 H new ATOM 0 HG3 ARG A 16 -12.071 3.051 6.171 1.00 50.22 H new ATOM 0 HD2 ARG A 16 -10.254 1.447 6.031 1.00 2.11 H new ATOM 0 HD3 ARG A 16 -9.415 2.175 7.387 1.00 2.11 H new ATOM 0 HE ARG A 16 -11.735 0.358 7.488 1.00 22.44 H new ATOM 0 HH11 ARG A 16 -9.718 2.604 9.371 1.00 70.21 H new ATOM 0 HH12 ARG A 16 -10.190 1.874 10.909 1.00 70.21 H new ATOM 0 HH21 ARG A 16 -12.286 -0.551 9.434 1.00 41.15 H new ATOM 0 HH22 ARG A 16 -11.636 0.097 10.944 1.00 41.15 H new ATOM 249 N ALA A 17 -9.469 6.540 3.979 1.00 52.51 N ATOM 250 CA ALA A 17 -8.653 7.692 3.605 1.00 45.43 C ATOM 251 C ALA A 17 -9.517 8.804 3.023 1.00 11.13 C ATOM 252 O ALA A 17 -9.409 9.964 3.423 1.00 44.45 O ATOM 253 CB ALA A 17 -7.587 7.288 2.593 1.00 71.41 C ATOM 0 H ALA A 17 -9.304 5.705 3.417 1.00 52.51 H new ATOM 0 HA ALA A 17 -8.166 8.062 4.507 1.00 45.43 H new ATOM 0 HB1 ALA A 17 -6.989 8.160 2.327 1.00 71.41 H new ATOM 0 HB2 ALA A 17 -6.942 6.525 3.029 1.00 71.41 H new ATOM 0 HB3 ALA A 17 -8.067 6.890 1.699 1.00 71.41 H new ATOM 259 N GLU A 18 -10.370 8.456 2.059 1.00 52.15 N ATOM 260 CA GLU A 18 -11.228 9.414 1.385 1.00 41.54 C ATOM 261 C GLU A 18 -12.262 10.029 2.345 1.00 63.05 C ATOM 262 O GLU A 18 -12.740 11.132 2.092 1.00 25.41 O ATOM 263 CB GLU A 18 -11.882 8.737 0.176 1.00 52.12 C ATOM 264 CG GLU A 18 -10.938 8.644 -1.040 1.00 45.25 C ATOM 265 CD GLU A 18 -11.738 8.368 -2.310 1.00 24.22 C ATOM 266 OE1 GLU A 18 -12.338 7.273 -2.417 1.00 65.11 O ATOM 267 OE2 GLU A 18 -11.840 9.291 -3.149 1.00 43.53 O ATOM 0 H GLU A 18 -10.481 7.498 1.727 1.00 52.15 H new ATOM 0 HA GLU A 18 -10.624 10.249 1.030 1.00 41.54 H new ATOM 0 HB2 GLU A 18 -12.205 7.735 0.457 1.00 52.12 H new ATOM 0 HB3 GLU A 18 -12.777 9.292 -0.106 1.00 52.12 H new ATOM 0 HG2 GLU A 18 -10.380 9.574 -1.148 1.00 45.25 H new ATOM 0 HG3 GLU A 18 -10.207 7.851 -0.882 1.00 45.25 H new ATOM 272 N LEU A 19 -12.575 9.389 3.476 1.00 42.12 N ATOM 273 CA LEU A 19 -13.393 9.947 4.548 1.00 1.30 C ATOM 274 C LEU A 19 -12.722 11.099 5.282 1.00 30.43 C ATOM 275 O LEU A 19 -13.400 11.977 5.813 1.00 30.10 O ATOM 276 CB LEU A 19 -13.689 8.837 5.567 1.00 41.13 C ATOM 277 CG LEU A 19 -15.172 8.500 5.551 1.00 1.54 C ATOM 278 CD1 LEU A 19 -15.645 7.881 4.233 1.00 70.43 C ATOM 279 CD2 LEU A 19 -15.449 7.500 6.666 1.00 62.12 C ATOM 0 H LEU A 19 -12.255 8.441 3.673 1.00 42.12 H new ATOM 0 HA LEU A 19 -14.300 10.338 4.087 1.00 1.30 H new ATOM 0 HB2 LEU A 19 -13.103 7.949 5.331 1.00 41.13 H new ATOM 0 HB3 LEU A 19 -13.391 9.159 6.565 1.00 41.13 H new ATOM 0 HG LEU A 19 -15.713 9.437 5.683 1.00 1.54 H new ATOM 0 HD11 LEU A 19 -16.712 7.667 4.294 1.00 70.43 H new ATOM 0 HD12 LEU A 19 -15.461 8.579 3.416 1.00 70.43 H new ATOM 0 HD13 LEU A 19 -15.099 6.956 4.049 1.00 70.43 H new ATOM 0 HD21 LEU A 19 -16.509 7.245 6.671 1.00 62.12 H new ATOM 0 HD22 LEU A 19 -14.860 6.598 6.500 1.00 62.12 H new ATOM 0 HD23 LEU A 19 -15.177 7.940 7.625 1.00 62.12 H new ATOM 290 N GLY A 20 -11.396 11.082 5.342 1.00 10.14 N ATOM 291 CA GLY A 20 -10.602 12.199 5.834 1.00 52.34 C ATOM 292 C GLY A 20 -10.509 13.311 4.787 1.00 34.40 C ATOM 293 O GLY A 20 -10.114 14.436 5.105 1.00 41.35 O ATOM 0 H GLY A 20 -10.836 10.282 5.047 1.00 10.14 H new ATOM 0 HA2 GLY A 20 -11.048 12.592 6.748 1.00 52.34 H new ATOM 0 HA3 GLY A 20 -9.601 11.853 6.091 1.00 52.34 H new ATOM 297 N GLY A 21 -10.871 13.015 3.540 1.00 71.21 N ATOM 298 CA GLY A 21 -10.680 13.886 2.408 1.00 45.45 C ATOM 299 C GLY A 21 -9.194 13.971 2.110 1.00 43.13 C ATOM 300 O GLY A 21 -8.528 14.921 2.526 1.00 45.31 O ATOM 0 H GLY A 21 -11.318 12.132 3.294 1.00 71.21 H new ATOM 0 HA2 GLY A 21 -11.219 13.504 1.541 1.00 45.45 H new ATOM 0 HA3 GLY A 21 -11.081 14.877 2.621 1.00 45.45 H new ATOM 304 N ALA A 22 -8.672 12.965 1.419 1.00 24.44 N ATOM 305 CA ALA A 22 -7.358 12.968 0.785 1.00 72.12 C ATOM 306 C ALA A 22 -7.533 12.557 -0.681 1.00 53.11 C ATOM 307 O ALA A 22 -8.677 12.535 -1.164 1.00 72.35 O ATOM 308 CB ALA A 22 -6.424 12.038 1.561 1.00 4.24 C ATOM 0 H ALA A 22 -9.173 12.088 1.279 1.00 24.44 H new ATOM 0 HA ALA A 22 -6.902 13.958 0.802 1.00 72.12 H new ATOM 0 HB1 ALA A 22 -5.440 12.036 1.092 1.00 4.24 H new ATOM 0 HB2 ALA A 22 -6.335 12.387 2.590 1.00 4.24 H new ATOM 0 HB3 ALA A 22 -6.831 11.027 1.555 1.00 4.24 H new ATOM 314 N PHE A 23 -6.443 12.227 -1.385 1.00 11.14 N ATOM 315 CA PHE A 23 -6.531 11.569 -2.688 1.00 54.53 C ATOM 316 C PHE A 23 -5.967 10.164 -2.526 1.00 53.13 C ATOM 317 O PHE A 23 -4.749 9.965 -2.477 1.00 21.40 O ATOM 318 CB PHE A 23 -5.857 12.386 -3.806 1.00 21.00 C ATOM 319 CG PHE A 23 -6.315 11.958 -5.191 1.00 11.13 C ATOM 320 CD1 PHE A 23 -5.921 10.713 -5.719 1.00 53.23 C ATOM 321 CD2 PHE A 23 -7.173 12.783 -5.943 1.00 3.33 C ATOM 322 CE1 PHE A 23 -6.404 10.281 -6.965 1.00 24.02 C ATOM 323 CE2 PHE A 23 -7.661 12.353 -7.190 1.00 32.42 C ATOM 324 CZ PHE A 23 -7.284 11.097 -7.695 1.00 61.34 C ATOM 0 H PHE A 23 -5.489 12.407 -1.070 1.00 11.14 H new ATOM 0 HA PHE A 23 -7.569 11.500 -3.013 1.00 54.53 H new ATOM 0 HB2 PHE A 23 -6.078 13.444 -3.664 1.00 21.00 H new ATOM 0 HB3 PHE A 23 -4.775 12.274 -3.733 1.00 21.00 H new ATOM 0 HD1 PHE A 23 -5.242 10.085 -5.161 1.00 53.23 H new ATOM 0 HD2 PHE A 23 -7.458 13.752 -5.560 1.00 3.33 H new ATOM 0 HE1 PHE A 23 -6.099 9.323 -7.361 1.00 24.02 H new ATOM 0 HE2 PHE A 23 -8.325 12.987 -7.759 1.00 32.42 H new ATOM 0 HZ PHE A 23 -7.671 10.759 -8.645 1.00 61.34 H new ATOM 333 N ALA A 24 -6.863 9.194 -2.360 1.00 11.24 N ATOM 334 CA ALA A 24 -6.549 7.780 -2.290 1.00 61.15 C ATOM 335 C ALA A 24 -7.228 7.115 -3.473 1.00 71.01 C ATOM 336 O ALA A 24 -8.344 7.499 -3.831 1.00 3.50 O ATOM 337 CB ALA A 24 -7.034 7.194 -0.963 1.00 74.34 C ATOM 0 H ALA A 24 -7.861 9.384 -2.268 1.00 11.24 H new ATOM 0 HA ALA A 24 -5.473 7.611 -2.334 1.00 61.15 H new ATOM 0 HB1 ALA A 24 -6.792 6.132 -0.924 1.00 74.34 H new ATOM 0 HB2 ALA A 24 -6.543 7.709 -0.137 1.00 74.34 H new ATOM 0 HB3 ALA A 24 -8.113 7.323 -0.881 1.00 74.34 H new ATOM 343 N THR A 25 -6.580 6.118 -4.062 1.00 34.41 N ATOM 344 CA THR A 25 -7.154 5.361 -5.156 1.00 5.22 C ATOM 345 C THR A 25 -6.485 3.997 -5.227 1.00 65.25 C ATOM 346 O THR A 25 -5.400 3.773 -4.675 1.00 63.45 O ATOM 347 CB THR A 25 -7.095 6.154 -6.471 1.00 63.14 C ATOM 348 OG1 THR A 25 -8.008 5.589 -7.389 1.00 33.20 O ATOM 349 CG2 THR A 25 -5.704 6.190 -7.091 1.00 4.43 C ATOM 0 H THR A 25 -5.644 5.815 -3.792 1.00 34.41 H new ATOM 0 HA THR A 25 -8.215 5.189 -4.977 1.00 5.22 H new ATOM 0 HB THR A 25 -7.359 7.186 -6.238 1.00 63.14 H new ATOM 0 HG1 THR A 25 -7.978 6.090 -8.231 1.00 33.20 H new ATOM 0 HG21 THR A 25 -5.733 6.765 -8.016 1.00 4.43 H new ATOM 0 HG22 THR A 25 -5.007 6.657 -6.395 1.00 4.43 H new ATOM 0 HG23 THR A 25 -5.375 5.173 -7.306 1.00 4.43 H new ATOM 357 N VAL A 26 -7.162 3.081 -5.906 1.00 14.42 N ATOM 358 CA VAL A 26 -6.638 1.784 -6.258 1.00 43.22 C ATOM 359 C VAL A 26 -6.144 1.912 -7.700 1.00 65.23 C ATOM 360 O VAL A 26 -6.848 2.429 -8.566 1.00 32.42 O ATOM 361 CB VAL A 26 -7.701 0.704 -5.981 1.00 43.13 C ATOM 362 CG1 VAL A 26 -8.972 0.795 -6.836 1.00 50.52 C ATOM 363 CG2 VAL A 26 -7.071 -0.676 -6.131 1.00 13.42 C ATOM 0 H VAL A 26 -8.117 3.231 -6.233 1.00 14.42 H new ATOM 0 HA VAL A 26 -5.790 1.457 -5.656 1.00 43.22 H new ATOM 0 HB VAL A 26 -8.037 0.881 -4.959 1.00 43.13 H new ATOM 0 HG11 VAL A 26 -9.653 -0.010 -6.562 1.00 50.52 H new ATOM 0 HG12 VAL A 26 -9.458 1.756 -6.665 1.00 50.52 H new ATOM 0 HG13 VAL A 26 -8.709 0.704 -7.890 1.00 50.52 H new ATOM 0 HG21 VAL A 26 -7.822 -1.442 -5.935 1.00 13.42 H new ATOM 0 HG22 VAL A 26 -6.689 -0.793 -7.145 1.00 13.42 H new ATOM 0 HG23 VAL A 26 -6.252 -0.781 -5.420 1.00 13.42 H new ATOM 373 N ALA A 27 -4.898 1.505 -7.925 1.00 41.24 N ATOM 374 CA ALA A 27 -4.091 1.790 -9.105 1.00 5.20 C ATOM 375 C ALA A 27 -3.639 0.501 -9.808 1.00 12.52 C ATOM 376 O ALA A 27 -2.738 0.536 -10.639 1.00 65.33 O ATOM 377 CB ALA A 27 -2.897 2.640 -8.655 1.00 61.10 C ATOM 0 H ALA A 27 -4.395 0.933 -7.247 1.00 41.24 H new ATOM 0 HA ALA A 27 -4.682 2.337 -9.840 1.00 5.20 H new ATOM 0 HB1 ALA A 27 -2.270 2.872 -9.516 1.00 61.10 H new ATOM 0 HB2 ALA A 27 -3.258 3.567 -8.209 1.00 61.10 H new ATOM 0 HB3 ALA A 27 -2.313 2.086 -7.920 1.00 61.10 H new ATOM 383 N ARG A 28 -4.215 -0.644 -9.445 1.00 64.05 N ATOM 384 CA ARG A 28 -4.146 -1.928 -10.147 1.00 14.14 C ATOM 385 C ARG A 28 -5.475 -2.621 -9.885 1.00 61.15 C ATOM 386 O ARG A 28 -6.240 -2.155 -9.038 1.00 31.04 O ATOM 387 CB ARG A 28 -2.991 -2.799 -9.624 1.00 61.01 C ATOM 388 CG ARG A 28 -2.087 -3.369 -10.722 1.00 50.33 C ATOM 389 CD ARG A 28 -1.082 -2.328 -11.229 1.00 50.23 C ATOM 390 NE ARG A 28 -1.140 -2.168 -12.685 1.00 72.14 N ATOM 391 CZ ARG A 28 -0.340 -1.378 -13.402 1.00 43.43 C ATOM 392 NH1 ARG A 28 0.443 -0.494 -12.801 1.00 54.40 N ATOM 393 NH2 ARG A 28 -0.322 -1.473 -14.720 1.00 54.30 N ATOM 0 H ARG A 28 -4.779 -0.705 -8.598 1.00 64.05 H new ATOM 0 HA ARG A 28 -3.964 -1.772 -11.210 1.00 14.14 H new ATOM 0 HB2 ARG A 28 -2.384 -2.205 -8.941 1.00 61.01 H new ATOM 0 HB3 ARG A 28 -3.406 -3.625 -9.046 1.00 61.01 H new ATOM 0 HG2 ARG A 28 -1.550 -4.236 -10.337 1.00 50.33 H new ATOM 0 HG3 ARG A 28 -2.700 -3.717 -11.553 1.00 50.33 H new ATOM 0 HD2 ARG A 28 -1.282 -1.369 -10.751 1.00 50.23 H new ATOM 0 HD3 ARG A 28 -0.075 -2.625 -10.937 1.00 50.23 H new ATOM 0 HE ARG A 28 -1.847 -2.703 -13.189 1.00 72.14 H new ATOM 0 HH11 ARG A 28 0.436 -0.415 -11.784 1.00 54.40 H new ATOM 0 HH12 ARG A 28 1.053 0.107 -13.355 1.00 54.40 H new ATOM 0 HH21 ARG A 28 -0.921 -2.152 -15.191 1.00 54.30 H new ATOM 0 HH22 ARG A 28 0.291 -0.868 -15.267 1.00 54.30 H new ATOM 404 N LYS A 29 -5.718 -3.779 -10.488 1.00 63.25 N ATOM 405 CA LYS A 29 -6.829 -4.623 -10.092 1.00 62.32 C ATOM 406 C LYS A 29 -6.332 -6.057 -10.034 1.00 2.54 C ATOM 407 O LYS A 29 -6.524 -6.831 -10.973 1.00 24.20 O ATOM 408 CB LYS A 29 -8.003 -4.375 -11.044 1.00 12.52 C ATOM 409 CG LYS A 29 -9.228 -5.241 -10.700 1.00 62.13 C ATOM 410 CD LYS A 29 -10.547 -4.462 -10.790 1.00 34.24 C ATOM 411 CE LYS A 29 -10.671 -3.382 -9.704 1.00 61.43 C ATOM 412 NZ LYS A 29 -10.713 -3.945 -8.340 1.00 3.43 N ATOM 0 H LYS A 29 -5.157 -4.152 -11.254 1.00 63.25 H new ATOM 0 HA LYS A 29 -7.209 -4.390 -9.097 1.00 62.32 H new ATOM 0 HB2 LYS A 29 -8.283 -3.322 -11.005 1.00 12.52 H new ATOM 0 HB3 LYS A 29 -7.689 -4.584 -12.067 1.00 12.52 H new ATOM 0 HG2 LYS A 29 -9.267 -6.094 -11.378 1.00 62.13 H new ATOM 0 HG3 LYS A 29 -9.114 -5.640 -9.692 1.00 62.13 H new ATOM 0 HD2 LYS A 29 -10.622 -3.995 -11.772 1.00 34.24 H new ATOM 0 HD3 LYS A 29 -11.382 -5.157 -10.703 1.00 34.24 H new ATOM 0 HE2 LYS A 29 -9.828 -2.695 -9.783 1.00 61.43 H new ATOM 0 HE3 LYS A 29 -11.575 -2.799 -9.879 1.00 61.43 H new ATOM 0 HZ1 LYS A 29 -10.982 -3.201 -7.665 1.00 3.43 H new ATOM 0 HZ2 LYS A 29 -11.412 -4.715 -8.303 1.00 3.43 H new ATOM 0 HZ3 LYS A 29 -9.775 -4.317 -8.089 1.00 3.43 H new ATOM 422 N GLY A 30 -5.688 -6.370 -8.912 1.00 54.33 N ATOM 423 CA GLY A 30 -5.214 -7.703 -8.615 1.00 64.21 C ATOM 424 C GLY A 30 -6.373 -8.663 -8.395 1.00 12.14 C ATOM 425 O GLY A 30 -7.553 -8.298 -8.494 1.00 12.32 O ATOM 0 H GLY A 30 -5.482 -5.690 -8.180 1.00 54.33 H new ATOM 0 HA2 GLY A 30 -4.592 -8.062 -9.435 1.00 64.21 H new ATOM 0 HA3 GLY A 30 -4.585 -7.678 -7.725 1.00 64.21 H new ATOM 429 N ASP A 31 -6.040 -9.906 -8.060 1.00 65.22 N ATOM 430 CA ASP A 31 -7.065 -10.904 -7.799 1.00 62.23 C ATOM 431 C ASP A 31 -7.813 -10.519 -6.530 1.00 50.32 C ATOM 432 O ASP A 31 -7.178 -10.238 -5.511 1.00 51.35 O ATOM 433 CB ASP A 31 -6.491 -12.308 -7.605 1.00 24.34 C ATOM 434 CG ASP A 31 -7.561 -13.313 -7.984 1.00 12.40 C ATOM 435 OD1 ASP A 31 -7.657 -13.652 -9.184 1.00 32.10 O ATOM 436 OD2 ASP A 31 -8.371 -13.663 -7.093 1.00 65.41 O ATOM 0 H ASP A 31 -5.081 -10.241 -7.964 1.00 65.22 H new ATOM 0 HA ASP A 31 -7.721 -10.927 -8.669 1.00 62.23 H new ATOM 0 HB2 ASP A 31 -5.604 -12.445 -8.224 1.00 24.34 H new ATOM 0 HB3 ASP A 31 -6.183 -12.453 -6.570 1.00 24.34 H new ATOM 440 N ALA A 32 -9.145 -10.513 -6.558 1.00 43.41 N ATOM 441 CA ALA A 32 -9.933 -10.190 -5.374 1.00 41.31 C ATOM 442 C ALA A 32 -9.696 -11.169 -4.224 1.00 4.23 C ATOM 443 O ALA A 32 -9.865 -10.791 -3.066 1.00 23.02 O ATOM 444 CB ALA A 32 -11.416 -10.134 -5.739 1.00 72.23 C ATOM 0 H ALA A 32 -9.699 -10.728 -7.387 1.00 43.41 H new ATOM 0 HA ALA A 32 -9.607 -9.212 -5.020 1.00 41.31 H new ATOM 0 HB1 ALA A 32 -12.000 -9.892 -4.851 1.00 72.23 H new ATOM 0 HB2 ALA A 32 -11.575 -9.368 -6.498 1.00 72.23 H new ATOM 0 HB3 ALA A 32 -11.732 -11.102 -6.129 1.00 72.23 H new ATOM 450 N ARG A 33 -9.283 -12.403 -4.521 1.00 42.44 N ATOM 451 CA ARG A 33 -9.148 -13.473 -3.540 1.00 33.14 C ATOM 452 C ARG A 33 -7.703 -13.907 -3.370 1.00 42.35 C ATOM 453 O ARG A 33 -7.332 -14.254 -2.247 1.00 50.41 O ATOM 454 CB ARG A 33 -10.032 -14.639 -3.994 1.00 53.41 C ATOM 455 CG ARG A 33 -11.471 -14.495 -3.488 1.00 70.42 C ATOM 456 CD ARG A 33 -12.449 -15.250 -4.396 1.00 74.43 C ATOM 457 NE ARG A 33 -12.884 -14.412 -5.527 1.00 12.54 N ATOM 458 CZ ARG A 33 -13.976 -13.638 -5.558 1.00 25.21 C ATOM 459 NH1 ARG A 33 -14.720 -13.465 -4.473 1.00 62.35 N ATOM 460 NH2 ARG A 33 -14.318 -13.023 -6.681 1.00 53.24 N ATOM 0 H ARG A 33 -9.030 -12.688 -5.467 1.00 42.44 H new ATOM 0 HA ARG A 33 -9.470 -13.116 -2.562 1.00 33.14 H new ATOM 0 HB2 ARG A 33 -10.033 -14.691 -5.083 1.00 53.41 H new ATOM 0 HB3 ARG A 33 -9.611 -15.577 -3.631 1.00 53.41 H new ATOM 0 HG2 ARG A 33 -11.543 -14.879 -2.470 1.00 70.42 H new ATOM 0 HG3 ARG A 33 -11.744 -13.440 -3.451 1.00 70.42 H new ATOM 0 HD2 ARG A 33 -11.974 -16.155 -4.773 1.00 74.43 H new ATOM 0 HD3 ARG A 33 -13.318 -15.563 -3.817 1.00 74.43 H new ATOM 0 HE ARG A 33 -12.300 -14.422 -6.363 1.00 12.54 H new ATOM 0 HH11 ARG A 33 -14.463 -13.925 -3.600 1.00 62.35 H new ATOM 0 HH12 ARG A 33 -15.549 -12.872 -4.512 1.00 62.35 H new ATOM 0 HH21 ARG A 33 -13.750 -13.140 -7.520 1.00 53.24 H new ATOM 0 HH22 ARG A 33 -15.150 -12.433 -6.706 1.00 53.24 H new ATOM 471 N ALA A 34 -6.897 -13.933 -4.433 1.00 65.14 N ATOM 472 CA ALA A 34 -5.534 -14.466 -4.395 1.00 23.23 C ATOM 473 C ALA A 34 -4.499 -13.481 -4.925 1.00 53.54 C ATOM 474 O ALA A 34 -3.511 -13.890 -5.537 1.00 62.21 O ATOM 475 CB ALA A 34 -5.473 -15.823 -5.116 1.00 11.31 C ATOM 0 H ALA A 34 -7.173 -13.583 -5.350 1.00 65.14 H new ATOM 0 HA ALA A 34 -5.271 -14.625 -3.349 1.00 23.23 H new ATOM 0 HB1 ALA A 34 -4.454 -16.208 -5.081 1.00 11.31 H new ATOM 0 HB2 ALA A 34 -6.144 -16.527 -4.624 1.00 11.31 H new ATOM 0 HB3 ALA A 34 -5.777 -15.697 -6.155 1.00 11.31 H new ATOM 481 N GLY A 35 -4.744 -12.184 -4.738 1.00 65.23 N ATOM 482 CA GLY A 35 -3.867 -11.139 -5.224 1.00 12.13 C ATOM 483 C GLY A 35 -3.112 -10.553 -4.043 1.00 13.30 C ATOM 484 O GLY A 35 -3.663 -10.422 -2.942 1.00 74.14 O ATOM 0 H GLY A 35 -5.564 -11.835 -4.241 1.00 65.23 H new ATOM 0 HA2 GLY A 35 -3.169 -11.542 -5.958 1.00 12.13 H new ATOM 0 HA3 GLY A 35 -4.445 -10.363 -5.726 1.00 12.13 H new ATOM 488 N ALA A 36 -1.839 -10.248 -4.285 1.00 11.51 N ATOM 489 CA ALA A 36 -0.982 -9.533 -3.336 1.00 33.24 C ATOM 490 C ALA A 36 -1.337 -8.040 -3.341 1.00 22.41 C ATOM 491 O ALA A 36 -2.028 -7.579 -4.250 1.00 33.23 O ATOM 492 CB ALA A 36 0.492 -9.742 -3.712 1.00 54.33 C ATOM 0 H ALA A 36 -1.366 -10.492 -5.155 1.00 11.51 H new ATOM 0 HA ALA A 36 -1.143 -9.924 -2.331 1.00 33.24 H new ATOM 0 HB1 ALA A 36 1.127 -9.209 -3.004 1.00 54.33 H new ATOM 0 HB2 ALA A 36 0.728 -10.806 -3.682 1.00 54.33 H new ATOM 0 HB3 ALA A 36 0.669 -9.360 -4.717 1.00 54.33 H new ATOM 498 N VAL A 37 -0.830 -7.263 -2.388 1.00 70.43 N ATOM 499 CA VAL A 37 -1.117 -5.839 -2.240 1.00 64.13 C ATOM 500 C VAL A 37 0.195 -5.075 -2.065 1.00 22.31 C ATOM 501 O VAL A 37 1.144 -5.577 -1.461 1.00 72.44 O ATOM 502 CB VAL A 37 -2.070 -5.623 -1.039 1.00 74.13 C ATOM 503 CG1 VAL A 37 -2.622 -4.187 -0.987 1.00 43.33 C ATOM 504 CG2 VAL A 37 -3.285 -6.559 -1.065 1.00 23.22 C ATOM 0 H VAL A 37 -0.190 -7.617 -1.677 1.00 70.43 H new ATOM 0 HA VAL A 37 -1.614 -5.459 -3.132 1.00 64.13 H new ATOM 0 HB VAL A 37 -1.454 -5.834 -0.165 1.00 74.13 H new ATOM 0 HG11 VAL A 37 -3.285 -4.083 -0.128 1.00 43.33 H new ATOM 0 HG12 VAL A 37 -1.795 -3.483 -0.894 1.00 43.33 H new ATOM 0 HG13 VAL A 37 -3.177 -3.977 -1.901 1.00 43.33 H new ATOM 0 HG21 VAL A 37 -3.916 -6.360 -0.199 1.00 23.22 H new ATOM 0 HG22 VAL A 37 -3.857 -6.388 -1.977 1.00 23.22 H new ATOM 0 HG23 VAL A 37 -2.947 -7.595 -1.038 1.00 23.22 H new ATOM 514 N LEU A 38 0.223 -3.832 -2.545 1.00 23.34 N ATOM 515 CA LEU A 38 1.193 -2.804 -2.208 1.00 4.35 C ATOM 516 C LEU A 38 0.446 -1.603 -1.669 1.00 42.50 C ATOM 517 O LEU A 38 -0.659 -1.294 -2.119 1.00 5.55 O ATOM 518 CB LEU A 38 1.969 -2.345 -3.451 1.00 12.35 C ATOM 519 CG LEU A 38 3.123 -3.277 -3.809 1.00 42.10 C ATOM 520 CD1 LEU A 38 3.622 -2.930 -5.204 1.00 2.55 C ATOM 521 CD2 LEU A 38 4.307 -3.139 -2.856 1.00 72.23 C ATOM 0 H LEU A 38 -0.471 -3.503 -3.216 1.00 23.34 H new ATOM 0 HA LEU A 38 1.891 -3.214 -1.478 1.00 4.35 H new ATOM 0 HB2 LEU A 38 1.285 -2.281 -4.297 1.00 12.35 H new ATOM 0 HB3 LEU A 38 2.359 -1.342 -3.280 1.00 12.35 H new ATOM 0 HG LEU A 38 2.742 -4.296 -3.746 1.00 42.10 H new ATOM 0 HD11 LEU A 38 4.447 -3.590 -5.470 1.00 2.55 H new ATOM 0 HD12 LEU A 38 2.811 -3.055 -5.922 1.00 2.55 H new ATOM 0 HD13 LEU A 38 3.965 -1.896 -5.221 1.00 2.55 H new ATOM 0 HD21 LEU A 38 5.099 -3.825 -3.158 1.00 72.23 H new ATOM 0 HD22 LEU A 38 4.682 -2.116 -2.887 1.00 72.23 H new ATOM 0 HD23 LEU A 38 3.987 -3.378 -1.842 1.00 72.23 H new ATOM 532 N VAL A 39 1.107 -0.877 -0.779 1.00 12.25 N ATOM 533 CA VAL A 39 0.665 0.399 -0.256 1.00 70.42 C ATOM 534 C VAL A 39 1.796 1.371 -0.536 1.00 50.14 C ATOM 535 O VAL A 39 2.963 1.082 -0.282 1.00 10.41 O ATOM 536 CB VAL A 39 0.356 0.250 1.244 1.00 44.54 C ATOM 537 CG1 VAL A 39 0.248 1.610 1.953 1.00 32.34 C ATOM 538 CG2 VAL A 39 -0.956 -0.533 1.422 1.00 43.41 C ATOM 0 H VAL A 39 2.001 -1.176 -0.389 1.00 12.25 H new ATOM 0 HA VAL A 39 -0.252 0.763 -0.719 1.00 70.42 H new ATOM 0 HB VAL A 39 1.184 -0.292 1.700 1.00 44.54 H new ATOM 0 HG11 VAL A 39 0.029 1.453 3.009 1.00 32.34 H new ATOM 0 HG12 VAL A 39 1.191 2.148 1.854 1.00 32.34 H new ATOM 0 HG13 VAL A 39 -0.553 2.194 1.499 1.00 32.34 H new ATOM 0 HG21 VAL A 39 -1.175 -0.639 2.484 1.00 43.41 H new ATOM 0 HG22 VAL A 39 -1.770 0.005 0.935 1.00 43.41 H new ATOM 0 HG23 VAL A 39 -0.854 -1.521 0.972 1.00 43.41 H new ATOM 548 N LYS A 40 1.474 2.550 -1.034 1.00 45.11 N ATOM 549 CA LYS A 40 2.431 3.623 -1.202 1.00 21.21 C ATOM 550 C LYS A 40 1.759 4.864 -0.609 1.00 4.14 C ATOM 551 O LYS A 40 0.534 4.982 -0.670 1.00 22.34 O ATOM 552 CB LYS A 40 2.735 3.701 -2.699 1.00 71.04 C ATOM 553 CG LYS A 40 3.557 4.945 -3.015 1.00 5.42 C ATOM 554 CD LYS A 40 4.054 4.905 -4.453 1.00 11.44 C ATOM 555 CE LYS A 40 4.273 6.353 -4.864 1.00 42.54 C ATOM 556 NZ LYS A 40 4.664 6.464 -6.280 1.00 5.54 N ATOM 0 H LYS A 40 0.530 2.790 -1.336 1.00 45.11 H new ATOM 0 HA LYS A 40 3.389 3.495 -0.697 1.00 21.21 H new ATOM 0 HB2 LYS A 40 3.279 2.810 -3.012 1.00 71.04 H new ATOM 0 HB3 LYS A 40 1.803 3.721 -3.264 1.00 71.04 H new ATOM 0 HG2 LYS A 40 2.951 5.838 -2.858 1.00 5.42 H new ATOM 0 HG3 LYS A 40 4.405 5.011 -2.333 1.00 5.42 H new ATOM 0 HD2 LYS A 40 4.979 4.334 -4.530 1.00 11.44 H new ATOM 0 HD3 LYS A 40 3.326 4.421 -5.104 1.00 11.44 H new ATOM 0 HE2 LYS A 40 3.359 6.922 -4.693 1.00 42.54 H new ATOM 0 HE3 LYS A 40 5.047 6.796 -4.237 1.00 42.54 H new ATOM 0 HZ1 LYS A 40 5.650 6.790 -6.343 1.00 5.54 H new ATOM 0 HZ2 LYS A 40 4.577 5.534 -6.738 1.00 5.54 H new ATOM 0 HZ3 LYS A 40 4.042 7.146 -6.759 1.00 5.54 H new ATOM 566 N ALA A 41 2.530 5.761 0.010 1.00 41.43 N ATOM 567 CA ALA A 41 2.016 6.974 0.637 1.00 25.23 C ATOM 568 C ALA A 41 2.993 8.102 0.339 1.00 4.23 C ATOM 569 O ALA A 41 4.208 7.903 0.448 1.00 32.23 O ATOM 570 CB ALA A 41 1.791 6.814 2.154 1.00 23.03 C ATOM 0 H ALA A 41 3.542 5.661 0.089 1.00 41.43 H new ATOM 0 HA ALA A 41 1.033 7.199 0.222 1.00 25.23 H new ATOM 0 HB1 ALA A 41 1.408 7.748 2.566 1.00 23.03 H new ATOM 0 HB2 ALA A 41 1.070 6.016 2.333 1.00 23.03 H new ATOM 0 HB3 ALA A 41 2.735 6.564 2.638 1.00 23.03 H new ATOM 576 N VAL A 42 2.469 9.259 -0.048 1.00 14.41 N ATOM 577 CA VAL A 42 3.240 10.344 -0.631 1.00 44.11 C ATOM 578 C VAL A 42 2.825 11.624 0.082 1.00 61.32 C ATOM 579 O VAL A 42 1.661 12.031 0.035 1.00 10.12 O ATOM 580 CB VAL A 42 3.017 10.385 -2.154 1.00 70.20 C ATOM 581 CG1 VAL A 42 3.951 11.405 -2.807 1.00 74.30 C ATOM 582 CG2 VAL A 42 3.335 9.034 -2.823 1.00 71.13 C ATOM 0 H VAL A 42 1.475 9.471 0.038 1.00 14.41 H new ATOM 0 HA VAL A 42 4.313 10.208 -0.496 1.00 44.11 H new ATOM 0 HB VAL A 42 1.967 10.643 -2.294 1.00 70.20 H new ATOM 0 HG11 VAL A 42 3.779 11.419 -3.883 1.00 74.30 H new ATOM 0 HG12 VAL A 42 3.754 12.395 -2.395 1.00 74.30 H new ATOM 0 HG13 VAL A 42 4.987 11.129 -2.609 1.00 74.30 H new ATOM 0 HG21 VAL A 42 3.163 9.110 -3.897 1.00 71.13 H new ATOM 0 HG22 VAL A 42 4.377 8.774 -2.640 1.00 71.13 H new ATOM 0 HG23 VAL A 42 2.689 8.261 -2.406 1.00 71.13 H new ATOM 592 N ASP A 43 3.773 12.205 0.808 1.00 51.41 N ATOM 593 CA ASP A 43 3.596 13.454 1.537 1.00 50.41 C ATOM 594 C ASP A 43 3.727 14.660 0.599 1.00 22.22 C ATOM 595 O ASP A 43 4.750 14.858 -0.066 1.00 53.44 O ATOM 596 CB ASP A 43 4.619 13.545 2.668 1.00 61.00 C ATOM 597 CG ASP A 43 4.274 14.676 3.627 1.00 72.21 C ATOM 598 OD1 ASP A 43 4.289 15.842 3.185 1.00 54.42 O ATOM 599 OD2 ASP A 43 4.000 14.380 4.810 1.00 33.15 O ATOM 0 H ASP A 43 4.708 11.811 0.908 1.00 51.41 H new ATOM 0 HA ASP A 43 2.593 13.467 1.963 1.00 50.41 H new ATOM 0 HB2 ASP A 43 4.651 12.600 3.211 1.00 61.00 H new ATOM 0 HB3 ASP A 43 5.613 13.707 2.252 1.00 61.00 H new ATOM 603 N ARG A 44 2.687 15.488 0.530 1.00 5.11 N ATOM 604 CA ARG A 44 2.607 16.660 -0.340 1.00 33.31 C ATOM 605 C ARG A 44 3.066 17.958 0.338 1.00 65.22 C ATOM 606 O ARG A 44 2.962 19.015 -0.283 1.00 31.22 O ATOM 607 CB ARG A 44 1.172 16.773 -0.888 1.00 41.52 C ATOM 608 CG ARG A 44 0.805 15.624 -1.849 1.00 73.22 C ATOM 609 CD ARG A 44 1.588 15.666 -3.172 1.00 70.30 C ATOM 610 NE ARG A 44 1.225 16.841 -3.982 1.00 64.14 N ATOM 611 CZ ARG A 44 1.900 17.313 -5.039 1.00 13.42 C ATOM 612 NH1 ARG A 44 3.005 16.725 -5.486 1.00 53.21 N ATOM 613 NH2 ARG A 44 1.442 18.394 -5.653 1.00 5.43 N ATOM 0 H ARG A 44 1.849 15.358 1.097 1.00 5.11 H new ATOM 0 HA ARG A 44 3.306 16.518 -1.164 1.00 33.31 H new ATOM 0 HB2 ARG A 44 0.470 16.781 -0.054 1.00 41.52 H new ATOM 0 HB3 ARG A 44 1.061 17.725 -1.408 1.00 41.52 H new ATOM 0 HG2 ARG A 44 0.992 14.671 -1.354 1.00 73.22 H new ATOM 0 HG3 ARG A 44 -0.263 15.667 -2.065 1.00 73.22 H new ATOM 0 HD2 ARG A 44 2.657 15.685 -2.962 1.00 70.30 H new ATOM 0 HD3 ARG A 44 1.391 14.757 -3.741 1.00 70.30 H new ATOM 0 HE ARG A 44 0.379 17.343 -3.713 1.00 64.14 H new ATOM 0 HH11 ARG A 44 3.362 15.890 -5.022 1.00 53.21 H new ATOM 0 HH12 ARG A 44 3.496 17.109 -6.293 1.00 53.21 H new ATOM 0 HH21 ARG A 44 0.592 18.849 -5.319 1.00 5.43 H new ATOM 0 HH22 ARG A 44 1.939 18.771 -6.460 1.00 5.43 H new ATOM 624 N ARG A 45 3.520 17.954 1.592 1.00 2.22 N ATOM 625 CA ARG A 45 3.999 19.125 2.326 1.00 41.42 C ATOM 626 C ARG A 45 5.502 19.032 2.516 1.00 54.12 C ATOM 627 O ARG A 45 6.234 19.892 2.015 1.00 65.31 O ATOM 628 CB ARG A 45 3.265 19.205 3.674 1.00 64.34 C ATOM 629 CG ARG A 45 1.900 19.864 3.477 1.00 14.42 C ATOM 630 CD ARG A 45 1.151 20.091 4.799 1.00 21.42 C ATOM 631 NE ARG A 45 0.040 21.038 4.625 1.00 5.52 N ATOM 632 CZ ARG A 45 -0.544 21.802 5.554 1.00 50.51 C ATOM 633 NH1 ARG A 45 0.047 22.031 6.723 1.00 32.32 N ATOM 634 NH2 ARG A 45 -1.744 22.320 5.305 1.00 62.04 N ATOM 0 H ARG A 45 3.566 17.099 2.147 1.00 2.22 H new ATOM 0 HA ARG A 45 3.791 20.035 1.764 1.00 41.42 H new ATOM 0 HB2 ARG A 45 3.141 18.206 4.092 1.00 64.34 H new ATOM 0 HB3 ARG A 45 3.857 19.778 4.388 1.00 64.34 H new ATOM 0 HG2 ARG A 45 2.033 20.820 2.972 1.00 14.42 H new ATOM 0 HG3 ARG A 45 1.291 19.240 2.823 1.00 14.42 H new ATOM 0 HD2 ARG A 45 0.767 19.141 5.170 1.00 21.42 H new ATOM 0 HD3 ARG A 45 1.842 20.472 5.551 1.00 21.42 H new ATOM 0 HE ARG A 45 -0.331 21.123 3.679 1.00 5.52 H new ATOM 0 HH11 ARG A 45 0.960 21.621 6.922 1.00 32.32 H new ATOM 0 HH12 ARG A 45 -0.412 22.616 7.421 1.00 32.32 H new ATOM 0 HH21 ARG A 45 -2.206 22.132 4.415 1.00 62.04 H new ATOM 0 HH22 ARG A 45 -2.202 22.905 6.004 1.00 62.04 H new ATOM 645 N GLU A 46 5.982 17.994 3.194 1.00 4.44 N ATOM 646 CA GLU A 46 7.403 17.696 3.307 1.00 3.41 C ATOM 647 C GLU A 46 7.967 17.298 1.941 1.00 2.12 C ATOM 648 O GLU A 46 9.132 17.568 1.647 1.00 53.21 O ATOM 649 CB GLU A 46 7.641 16.568 4.320 1.00 3.21 C ATOM 650 CG GLU A 46 7.093 16.885 5.721 1.00 33.23 C ATOM 651 CD GLU A 46 7.555 15.891 6.789 1.00 63.32 C ATOM 652 OE1 GLU A 46 8.015 14.772 6.455 1.00 31.11 O ATOM 653 OE2 GLU A 46 7.499 16.251 7.994 1.00 41.10 O ATOM 0 H GLU A 46 5.386 17.328 3.686 1.00 4.44 H new ATOM 0 HA GLU A 46 7.915 18.592 3.658 1.00 3.41 H new ATOM 0 HB2 GLU A 46 7.174 15.654 3.953 1.00 3.21 H new ATOM 0 HB3 GLU A 46 8.711 16.373 4.391 1.00 3.21 H new ATOM 0 HG2 GLU A 46 7.407 17.889 6.008 1.00 33.23 H new ATOM 0 HG3 GLU A 46 6.004 16.890 5.685 1.00 33.23 H new ATOM 658 N GLY A 47 7.140 16.742 1.051 1.00 3.21 N ATOM 659 CA GLY A 47 7.605 16.266 -0.247 1.00 63.43 C ATOM 660 C GLY A 47 8.359 14.945 -0.103 1.00 70.14 C ATOM 661 O GLY A 47 9.248 14.648 -0.900 1.00 21.43 O ATOM 0 H GLY A 47 6.141 16.612 1.211 1.00 3.21 H new ATOM 0 HA2 GLY A 47 6.755 16.134 -0.916 1.00 63.43 H new ATOM 0 HA3 GLY A 47 8.255 17.013 -0.702 1.00 63.43 H new ATOM 665 N THR A 48 8.069 14.180 0.947 1.00 33.25 N ATOM 666 CA THR A 48 8.656 12.874 1.177 1.00 73.13 C ATOM 667 C THR A 48 7.714 11.827 0.584 1.00 5.35 C ATOM 668 O THR A 48 6.530 12.089 0.366 1.00 61.24 O ATOM 669 CB THR A 48 8.902 12.693 2.690 1.00 21.44 C ATOM 670 OG1 THR A 48 7.767 13.037 3.462 1.00 52.10 O ATOM 671 CG2 THR A 48 10.042 13.590 3.169 1.00 71.32 C ATOM 0 H THR A 48 7.407 14.461 1.671 1.00 33.25 H new ATOM 0 HA THR A 48 9.625 12.764 0.690 1.00 73.13 H new ATOM 0 HB THR A 48 9.142 11.638 2.825 1.00 21.44 H new ATOM 0 HG1 THR A 48 7.966 12.906 4.413 1.00 52.10 H new ATOM 0 HG21 THR A 48 10.195 13.444 4.238 1.00 71.32 H new ATOM 0 HG22 THR A 48 10.956 13.334 2.633 1.00 71.32 H new ATOM 0 HG23 THR A 48 9.789 14.633 2.978 1.00 71.32 H new ATOM 679 N ALA A 49 8.203 10.616 0.353 1.00 72.33 N ATOM 680 CA ALA A 49 7.382 9.491 -0.041 1.00 25.45 C ATOM 681 C ALA A 49 7.950 8.255 0.633 1.00 34.22 C ATOM 682 O ALA A 49 9.156 8.177 0.902 1.00 12.34 O ATOM 683 CB ALA A 49 7.379 9.351 -1.567 1.00 14.35 C ATOM 0 H ALA A 49 9.194 10.390 0.436 1.00 72.33 H new ATOM 0 HA ALA A 49 6.346 9.632 0.267 1.00 25.45 H new ATOM 0 HB1 ALA A 49 6.759 8.502 -1.853 1.00 14.35 H new ATOM 0 HB2 ALA A 49 6.979 10.260 -2.015 1.00 14.35 H new ATOM 0 HB3 ALA A 49 8.398 9.191 -1.920 1.00 14.35 H new ATOM 689 N ARG A 50 7.072 7.295 0.904 1.00 12.54 N ATOM 690 CA ARG A 50 7.434 5.966 1.398 1.00 23.24 C ATOM 691 C ARG A 50 6.647 4.910 0.637 1.00 62.43 C ATOM 692 O ARG A 50 5.589 5.217 0.077 1.00 23.14 O ATOM 693 CB ARG A 50 7.158 5.885 2.906 1.00 14.44 C ATOM 694 CG ARG A 50 8.209 6.673 3.699 1.00 5.51 C ATOM 695 CD ARG A 50 7.866 6.711 5.189 1.00 11.31 C ATOM 696 NE ARG A 50 7.227 7.990 5.545 1.00 72.13 N ATOM 697 CZ ARG A 50 7.133 8.541 6.761 1.00 25.45 C ATOM 698 NH1 ARG A 50 7.664 7.988 7.843 1.00 45.30 N ATOM 699 NH2 ARG A 50 6.490 9.691 6.879 1.00 32.41 N ATOM 0 H ARG A 50 6.067 7.419 0.785 1.00 12.54 H new ATOM 0 HA ARG A 50 8.496 5.785 1.236 1.00 23.24 H new ATOM 0 HB2 ARG A 50 6.165 6.280 3.119 1.00 14.44 H new ATOM 0 HB3 ARG A 50 7.162 4.843 3.225 1.00 14.44 H new ATOM 0 HG2 ARG A 50 9.189 6.217 3.561 1.00 5.51 H new ATOM 0 HG3 ARG A 50 8.273 7.690 3.312 1.00 5.51 H new ATOM 0 HD2 ARG A 50 7.199 5.885 5.435 1.00 11.31 H new ATOM 0 HD3 ARG A 50 8.772 6.575 5.779 1.00 11.31 H new ATOM 0 HE ARG A 50 6.809 8.515 4.777 1.00 72.13 H new ATOM 0 HH11 ARG A 50 8.170 7.105 7.769 1.00 45.30 H new ATOM 0 HH12 ARG A 50 7.567 8.445 8.750 1.00 45.30 H new ATOM 0 HH21 ARG A 50 6.082 10.134 6.056 1.00 32.41 H new ATOM 0 HH22 ARG A 50 6.402 10.135 7.793 1.00 32.41 H new ATOM 710 N LEU A 51 7.101 3.660 0.667 1.00 64.33 N ATOM 711 CA LEU A 51 6.432 2.552 -0.015 1.00 5.53 C ATOM 712 C LEU A 51 6.490 1.340 0.891 1.00 50.20 C ATOM 713 O LEU A 51 7.553 1.032 1.429 1.00 12.35 O ATOM 714 CB LEU A 51 7.083 2.275 -1.386 1.00 25.35 C ATOM 715 CG LEU A 51 6.071 1.872 -2.472 1.00 13.31 C ATOM 716 CD1 LEU A 51 6.707 2.017 -3.845 1.00 32.13 C ATOM 717 CD2 LEU A 51 5.544 0.443 -2.452 1.00 71.04 C ATOM 0 H LEU A 51 7.946 3.384 1.167 1.00 64.33 H new ATOM 0 HA LEU A 51 5.391 2.805 -0.215 1.00 5.53 H new ATOM 0 HB2 LEU A 51 7.619 3.166 -1.712 1.00 25.35 H new ATOM 0 HB3 LEU A 51 7.822 1.481 -1.276 1.00 25.35 H new ATOM 0 HG LEU A 51 5.234 2.538 -2.261 1.00 13.31 H new ATOM 0 HD11 LEU A 51 5.987 1.731 -4.612 1.00 32.13 H new ATOM 0 HD12 LEU A 51 7.008 3.053 -3.999 1.00 32.13 H new ATOM 0 HD13 LEU A 51 7.583 1.371 -3.910 1.00 32.13 H new ATOM 0 HD21 LEU A 51 4.841 0.303 -3.273 1.00 71.04 H new ATOM 0 HD22 LEU A 51 6.375 -0.253 -2.563 1.00 71.04 H new ATOM 0 HD23 LEU A 51 5.038 0.255 -1.505 1.00 71.04 H new ATOM 728 N PHE A 52 5.356 0.669 1.049 1.00 62.32 N ATOM 729 CA PHE A 52 5.226 -0.514 1.890 1.00 53.31 C ATOM 730 C PHE A 52 4.767 -1.725 1.088 1.00 25.03 C ATOM 731 O PHE A 52 3.849 -1.642 0.267 1.00 14.51 O ATOM 732 CB PHE A 52 4.259 -0.238 3.042 1.00 70.10 C ATOM 733 CG PHE A 52 4.782 0.782 4.030 1.00 43.23 C ATOM 734 CD1 PHE A 52 5.744 0.417 4.987 1.00 52.42 C ATOM 735 CD2 PHE A 52 4.347 2.114 3.955 1.00 13.14 C ATOM 736 CE1 PHE A 52 6.273 1.389 5.853 1.00 12.24 C ATOM 737 CE2 PHE A 52 4.898 3.091 4.803 1.00 33.34 C ATOM 738 CZ PHE A 52 5.862 2.729 5.758 1.00 50.40 C ATOM 0 H PHE A 52 4.486 0.936 0.588 1.00 62.32 H new ATOM 0 HA PHE A 52 6.210 -0.744 2.298 1.00 53.31 H new ATOM 0 HB2 PHE A 52 3.311 0.113 2.635 1.00 70.10 H new ATOM 0 HB3 PHE A 52 4.055 -1.171 3.567 1.00 70.10 H new ATOM 0 HD1 PHE A 52 6.076 -0.608 5.057 1.00 52.42 H new ATOM 0 HD2 PHE A 52 3.585 2.390 3.242 1.00 13.14 H new ATOM 0 HE1 PHE A 52 7.001 1.104 6.598 1.00 12.24 H new ATOM 0 HE2 PHE A 52 4.580 4.120 4.720 1.00 33.34 H new ATOM 0 HZ PHE A 52 6.284 3.475 6.415 1.00 50.40 H new ATOM 747 N SER A 53 5.374 -2.873 1.375 1.00 72.12 N ATOM 748 CA SER A 53 5.088 -4.146 0.733 1.00 53.44 C ATOM 749 C SER A 53 4.663 -5.177 1.768 1.00 65.03 C ATOM 750 O SER A 53 5.071 -5.108 2.930 1.00 11.53 O ATOM 751 CB SER A 53 6.326 -4.578 -0.052 1.00 50.24 C ATOM 752 OG SER A 53 6.695 -3.542 -0.949 1.00 71.22 O ATOM 0 H SER A 53 6.103 -2.942 2.085 1.00 72.12 H new ATOM 0 HA SER A 53 4.255 -4.049 0.037 1.00 53.44 H new ATOM 0 HB2 SER A 53 7.148 -4.794 0.631 1.00 50.24 H new ATOM 0 HB3 SER A 53 6.120 -5.496 -0.603 1.00 50.24 H new ATOM 0 HG SER A 53 7.150 -3.929 -1.726 1.00 71.22 H new ATOM 757 N GLU A 54 3.805 -6.105 1.354 1.00 10.43 N ATOM 758 CA GLU A 54 3.359 -7.197 2.196 1.00 14.52 C ATOM 759 C GLU A 54 4.505 -8.198 2.372 1.00 10.51 C ATOM 760 O GLU A 54 5.343 -8.360 1.482 1.00 61.30 O ATOM 761 CB GLU A 54 2.064 -7.824 1.646 1.00 50.30 C ATOM 762 CG GLU A 54 2.218 -8.639 0.355 1.00 14.53 C ATOM 763 CD GLU A 54 0.970 -9.480 0.050 1.00 10.55 C ATOM 764 OE1 GLU A 54 -0.081 -8.895 -0.280 1.00 23.04 O ATOM 765 OE2 GLU A 54 1.020 -10.729 0.172 1.00 10.12 O ATOM 0 H GLU A 54 3.400 -6.115 0.418 1.00 10.43 H new ATOM 0 HA GLU A 54 3.100 -6.827 3.188 1.00 14.52 H new ATOM 0 HB2 GLU A 54 1.640 -8.471 2.414 1.00 50.30 H new ATOM 0 HB3 GLU A 54 1.343 -7.026 1.467 1.00 50.30 H new ATOM 0 HG2 GLU A 54 2.412 -7.964 -0.478 1.00 14.53 H new ATOM 0 HG3 GLU A 54 3.084 -9.295 0.442 1.00 14.53 H new ATOM 770 N ALA A 55 4.528 -8.882 3.511 1.00 11.53 N ATOM 771 CA ALA A 55 5.384 -10.015 3.829 1.00 41.34 C ATOM 772 C ALA A 55 4.603 -10.894 4.813 1.00 1.42 C ATOM 773 O ALA A 55 3.471 -10.561 5.180 1.00 34.44 O ATOM 774 CB ALA A 55 6.702 -9.511 4.428 1.00 11.32 C ATOM 0 H ALA A 55 3.909 -8.643 4.285 1.00 11.53 H new ATOM 0 HA ALA A 55 5.643 -10.596 2.944 1.00 41.34 H new ATOM 0 HB1 ALA A 55 7.342 -10.361 4.666 1.00 11.32 H new ATOM 0 HB2 ALA A 55 7.206 -8.867 3.708 1.00 11.32 H new ATOM 0 HB3 ALA A 55 6.496 -8.946 5.337 1.00 11.32 H new ATOM 780 N THR A 56 5.165 -12.009 5.272 1.00 70.02 N ATOM 781 CA THR A 56 4.577 -12.792 6.358 1.00 25.32 C ATOM 782 C THR A 56 5.687 -13.522 7.099 1.00 33.35 C ATOM 783 O THR A 56 6.601 -14.038 6.448 1.00 71.40 O ATOM 784 CB THR A 56 3.558 -13.835 5.854 1.00 14.34 C ATOM 785 OG1 THR A 56 3.304 -13.767 4.464 1.00 41.13 O ATOM 786 CG2 THR A 56 2.218 -13.692 6.565 1.00 22.15 C ATOM 0 H THR A 56 6.035 -12.394 4.905 1.00 70.02 H new ATOM 0 HA THR A 56 4.049 -12.097 7.010 1.00 25.32 H new ATOM 0 HB THR A 56 4.025 -14.794 6.076 1.00 14.34 H new ATOM 0 HG1 THR A 56 2.652 -14.456 4.216 1.00 41.13 H new ATOM 0 HG21 THR A 56 1.523 -14.442 6.186 1.00 22.15 H new ATOM 0 HG22 THR A 56 2.358 -13.835 7.637 1.00 22.15 H new ATOM 0 HG23 THR A 56 1.813 -12.697 6.382 1.00 22.15 H new ATOM 794 N ARG A 57 5.603 -13.618 8.430 1.00 73.03 N ATOM 795 CA ARG A 57 6.593 -14.389 9.184 1.00 44.31 C ATOM 796 C ARG A 57 6.200 -15.858 9.322 1.00 70.43 C ATOM 797 O ARG A 57 5.105 -16.232 8.908 1.00 10.23 O ATOM 798 CB ARG A 57 6.867 -13.714 10.523 1.00 45.24 C ATOM 799 CG ARG A 57 5.663 -13.684 11.470 1.00 65.43 C ATOM 800 CD ARG A 57 6.112 -13.704 12.930 1.00 24.25 C ATOM 801 NE ARG A 57 6.979 -12.571 13.265 1.00 34.01 N ATOM 802 CZ ARG A 57 7.352 -12.231 14.498 1.00 42.50 C ATOM 803 NH1 ARG A 57 6.980 -12.963 15.544 1.00 43.22 N ATOM 804 NH2 ARG A 57 8.095 -11.149 14.661 1.00 23.31 N ATOM 0 H ARG A 57 4.876 -13.181 8.996 1.00 73.03 H new ATOM 0 HA ARG A 57 7.527 -14.398 8.622 1.00 44.31 H new ATOM 0 HB2 ARG A 57 7.690 -14.231 11.016 1.00 45.24 H new ATOM 0 HB3 ARG A 57 7.197 -12.691 10.341 1.00 45.24 H new ATOM 0 HG2 ARG A 57 5.070 -12.789 11.281 1.00 65.43 H new ATOM 0 HG3 ARG A 57 5.019 -14.541 11.272 1.00 65.43 H new ATOM 0 HD2 ARG A 57 5.235 -13.690 13.577 1.00 24.25 H new ATOM 0 HD3 ARG A 57 6.642 -14.635 13.131 1.00 24.25 H new ATOM 0 HE ARG A 57 7.324 -11.998 12.494 1.00 34.01 H new ATOM 0 HH11 ARG A 57 6.404 -13.793 15.406 1.00 43.22 H new ATOM 0 HH12 ARG A 57 7.271 -12.694 16.484 1.00 43.22 H new ATOM 0 HH21 ARG A 57 8.371 -10.593 13.851 1.00 23.31 H new ATOM 0 HH22 ARG A 57 8.392 -10.870 15.596 1.00 23.31 H new ATOM 815 N GLY A 58 7.042 -16.665 9.978 1.00 14.54 N ATOM 816 CA GLY A 58 6.762 -18.066 10.268 1.00 43.34 C ATOM 817 C GLY A 58 5.524 -18.265 11.136 1.00 12.23 C ATOM 818 O GLY A 58 4.784 -19.229 10.946 1.00 44.12 O ATOM 0 H GLY A 58 7.949 -16.353 10.325 1.00 14.54 H new ATOM 0 HA2 GLY A 58 6.630 -18.605 9.330 1.00 43.34 H new ATOM 0 HA3 GLY A 58 7.624 -18.506 10.770 1.00 43.34 H new ATOM 822 N ASP A 59 5.241 -17.331 12.047 1.00 74.13 N ATOM 823 CA ASP A 59 4.000 -17.310 12.834 1.00 54.10 C ATOM 824 C ASP A 59 2.778 -16.920 11.978 1.00 70.43 C ATOM 825 O ASP A 59 1.661 -16.828 12.478 1.00 25.34 O ATOM 826 CB ASP A 59 4.156 -16.378 14.043 1.00 42.52 C ATOM 827 CG ASP A 59 3.301 -16.760 15.260 1.00 33.03 C ATOM 828 OD1 ASP A 59 2.415 -17.639 15.186 1.00 31.31 O ATOM 829 OD2 ASP A 59 3.549 -16.189 16.346 1.00 64.33 O ATOM 0 H ASP A 59 5.872 -16.559 12.263 1.00 74.13 H new ATOM 0 HA ASP A 59 3.816 -18.322 13.196 1.00 54.10 H new ATOM 0 HB2 ASP A 59 5.204 -16.365 14.342 1.00 42.52 H new ATOM 0 HB3 ASP A 59 3.898 -15.364 13.739 1.00 42.52 H new ATOM 833 N GLY A 60 2.961 -16.690 10.676 1.00 32.32 N ATOM 834 CA GLY A 60 1.903 -16.372 9.731 1.00 22.33 C ATOM 835 C GLY A 60 1.389 -14.944 9.868 1.00 51.53 C ATOM 836 O GLY A 60 0.298 -14.661 9.376 1.00 52.32 O ATOM 0 H GLY A 60 3.883 -16.723 10.242 1.00 32.32 H new ATOM 0 HA2 GLY A 60 2.272 -16.523 8.717 1.00 22.33 H new ATOM 0 HA3 GLY A 60 1.075 -17.066 9.875 1.00 22.33 H new ATOM 840 N GLU A 61 2.143 -14.040 10.512 1.00 2.20 N ATOM 841 CA GLU A 61 1.681 -12.684 10.748 1.00 1.34 C ATOM 842 C GLU A 61 2.129 -11.831 9.571 1.00 51.11 C ATOM 843 O GLU A 61 3.325 -11.805 9.265 1.00 23.32 O ATOM 844 CB GLU A 61 2.238 -12.149 12.076 1.00 43.21 C ATOM 845 CG GLU A 61 1.349 -10.999 12.563 1.00 33.00 C ATOM 846 CD GLU A 61 1.725 -10.477 13.950 1.00 41.43 C ATOM 847 OE1 GLU A 61 1.593 -11.252 14.928 1.00 72.04 O ATOM 848 OE2 GLU A 61 2.121 -9.296 14.103 1.00 14.24 O ATOM 0 H GLU A 61 3.076 -14.235 10.875 1.00 2.20 H new ATOM 0 HA GLU A 61 0.594 -12.656 10.828 1.00 1.34 H new ATOM 0 HB2 GLU A 61 2.266 -12.945 12.820 1.00 43.21 H new ATOM 0 HB3 GLU A 61 3.263 -11.802 11.942 1.00 43.21 H new ATOM 0 HG2 GLU A 61 1.407 -10.179 11.848 1.00 33.00 H new ATOM 0 HG3 GLU A 61 0.312 -11.335 12.580 1.00 33.00 H new ATOM 853 N ARG A 62 1.182 -11.186 8.888 1.00 74.13 N ATOM 854 CA ARG A 62 1.493 -10.200 7.859 1.00 53.31 C ATOM 855 C ARG A 62 1.993 -8.928 8.528 1.00 4.13 C ATOM 856 O ARG A 62 1.484 -8.557 9.589 1.00 12.22 O ATOM 857 CB ARG A 62 0.249 -9.929 6.998 1.00 5.34 C ATOM 858 CG ARG A 62 0.531 -9.109 5.723 1.00 53.35 C ATOM 859 CD ARG A 62 0.016 -9.788 4.444 1.00 54.42 C ATOM 860 NE ARG A 62 -1.117 -9.073 3.835 1.00 3.41 N ATOM 861 CZ ARG A 62 -1.751 -9.434 2.715 1.00 12.43 C ATOM 862 NH1 ARG A 62 -1.375 -10.502 2.026 1.00 44.54 N ATOM 863 NH2 ARG A 62 -2.779 -8.719 2.281 1.00 42.23 N ATOM 0 H ARG A 62 0.183 -11.333 9.034 1.00 74.13 H new ATOM 0 HA ARG A 62 2.275 -10.579 7.200 1.00 53.31 H new ATOM 0 HB2 ARG A 62 -0.197 -10.882 6.713 1.00 5.34 H new ATOM 0 HB3 ARG A 62 -0.489 -9.400 7.601 1.00 5.34 H new ATOM 0 HG2 ARG A 62 0.066 -8.128 5.819 1.00 53.35 H new ATOM 0 HG3 ARG A 62 1.605 -8.945 5.633 1.00 53.35 H new ATOM 0 HD2 ARG A 62 0.829 -9.854 3.721 1.00 54.42 H new ATOM 0 HD3 ARG A 62 -0.287 -10.809 4.677 1.00 54.42 H new ATOM 0 HE ARG A 62 -1.446 -8.231 4.307 1.00 3.41 H new ATOM 0 HH11 ARG A 62 -0.588 -11.066 2.348 1.00 44.54 H new ATOM 0 HH12 ARG A 62 -1.872 -10.760 1.174 1.00 44.54 H new ATOM 0 HH21 ARG A 62 -3.084 -7.896 2.801 1.00 42.23 H new ATOM 0 HH22 ARG A 62 -3.265 -8.991 1.427 1.00 42.23 H new ATOM 874 N PHE A 63 2.934 -8.248 7.885 1.00 61.30 N ATOM 875 CA PHE A 63 3.447 -6.943 8.269 1.00 50.32 C ATOM 876 C PHE A 63 3.716 -6.149 6.993 1.00 61.04 C ATOM 877 O PHE A 63 3.838 -6.735 5.912 1.00 21.45 O ATOM 878 CB PHE A 63 4.709 -7.091 9.141 1.00 54.43 C ATOM 879 CG PHE A 63 5.869 -7.882 8.547 1.00 70.01 C ATOM 880 CD1 PHE A 63 5.831 -9.293 8.534 1.00 42.53 C ATOM 881 CD2 PHE A 63 7.022 -7.221 8.076 1.00 34.42 C ATOM 882 CE1 PHE A 63 6.927 -10.031 8.059 1.00 5.41 C ATOM 883 CE2 PHE A 63 8.127 -7.965 7.619 1.00 50.52 C ATOM 884 CZ PHE A 63 8.075 -9.368 7.602 1.00 3.55 C ATOM 0 H PHE A 63 3.380 -8.610 7.042 1.00 61.30 H new ATOM 0 HA PHE A 63 2.718 -6.405 8.875 1.00 50.32 H new ATOM 0 HB2 PHE A 63 5.070 -6.092 9.387 1.00 54.43 H new ATOM 0 HB3 PHE A 63 4.420 -7.566 10.079 1.00 54.43 H new ATOM 0 HD1 PHE A 63 4.952 -9.809 8.892 1.00 42.53 H new ATOM 0 HD2 PHE A 63 7.058 -6.142 8.066 1.00 34.42 H new ATOM 0 HE1 PHE A 63 6.886 -11.110 8.046 1.00 5.41 H new ATOM 0 HE2 PHE A 63 9.017 -7.455 7.281 1.00 50.52 H new ATOM 0 HZ PHE A 63 8.918 -9.936 7.237 1.00 3.55 H new ATOM 893 N TRP A 64 3.802 -4.826 7.125 1.00 51.33 N ATOM 894 CA TRP A 64 4.109 -3.909 6.038 1.00 64.31 C ATOM 895 C TRP A 64 5.589 -3.555 6.090 1.00 13.24 C ATOM 896 O TRP A 64 5.995 -2.700 6.881 1.00 22.15 O ATOM 897 CB TRP A 64 3.220 -2.673 6.150 1.00 43.23 C ATOM 898 CG TRP A 64 1.806 -2.910 5.746 1.00 64.05 C ATOM 899 CD1 TRP A 64 0.735 -2.914 6.566 1.00 43.53 C ATOM 900 CD2 TRP A 64 1.302 -3.217 4.415 1.00 23.02 C ATOM 901 NE1 TRP A 64 -0.405 -3.142 5.821 1.00 13.14 N ATOM 902 CE2 TRP A 64 -0.112 -3.351 4.490 1.00 30.04 C ATOM 903 CE3 TRP A 64 1.904 -3.408 3.155 1.00 44.30 C ATOM 904 CZ2 TRP A 64 -0.896 -3.643 3.363 1.00 44.31 C ATOM 905 CZ3 TRP A 64 1.135 -3.720 2.021 1.00 42.14 C ATOM 906 CH2 TRP A 64 -0.262 -3.839 2.124 1.00 61.34 C ATOM 0 H TRP A 64 3.655 -4.354 8.017 1.00 51.33 H new ATOM 0 HA TRP A 64 3.907 -4.374 5.073 1.00 64.31 H new ATOM 0 HB2 TRP A 64 3.239 -2.316 7.180 1.00 43.23 H new ATOM 0 HB3 TRP A 64 3.637 -1.880 5.530 1.00 43.23 H new ATOM 0 HD1 TRP A 64 0.764 -2.763 7.635 1.00 43.53 H new ATOM 0 HE1 TRP A 64 -1.349 -3.154 6.208 1.00 13.14 H new ATOM 0 HE3 TRP A 64 2.976 -3.313 3.059 1.00 44.30 H new ATOM 0 HZ2 TRP A 64 -1.970 -3.716 3.447 1.00 44.31 H new ATOM 0 HZ3 TRP A 64 1.619 -3.869 1.067 1.00 42.14 H new ATOM 0 HH2 TRP A 64 -0.849 -4.081 1.250 1.00 61.34 H new ATOM 916 N MET A 65 6.393 -4.247 5.291 1.00 51.53 N ATOM 917 CA MET A 65 7.830 -4.054 5.225 1.00 54.51 C ATOM 918 C MET A 65 8.225 -2.952 4.251 1.00 10.41 C ATOM 919 O MET A 65 7.400 -2.479 3.465 1.00 63.14 O ATOM 920 CB MET A 65 8.519 -5.378 4.907 1.00 2.14 C ATOM 921 CG MET A 65 8.249 -5.944 3.506 1.00 5.44 C ATOM 922 SD MET A 65 9.689 -6.748 2.742 1.00 50.43 S ATOM 923 CE MET A 65 10.260 -7.753 4.135 1.00 53.10 C ATOM 0 H MET A 65 6.053 -4.972 4.659 1.00 51.53 H new ATOM 0 HA MET A 65 8.171 -3.716 6.204 1.00 54.51 H new ATOM 0 HB2 MET A 65 9.594 -5.245 5.025 1.00 2.14 H new ATOM 0 HB3 MET A 65 8.206 -6.117 5.645 1.00 2.14 H new ATOM 0 HG2 MET A 65 7.434 -6.665 3.568 1.00 5.44 H new ATOM 0 HG3 MET A 65 7.911 -5.135 2.858 1.00 5.44 H new ATOM 0 HE1 MET A 65 10.804 -8.620 3.760 1.00 53.10 H new ATOM 0 HE2 MET A 65 10.918 -7.157 4.768 1.00 53.10 H new ATOM 0 HE3 MET A 65 9.402 -8.088 4.718 1.00 53.10 H new ATOM 931 N GLN A 66 9.503 -2.571 4.281 1.00 21.24 N ATOM 932 CA GLN A 66 10.079 -1.589 3.369 1.00 54.11 C ATOM 933 C GLN A 66 11.228 -2.233 2.593 1.00 3.21 C ATOM 934 O GLN A 66 12.385 -2.132 3.002 1.00 14.43 O ATOM 935 CB GLN A 66 10.491 -0.303 4.101 1.00 31.05 C ATOM 936 CG GLN A 66 9.244 0.426 4.608 1.00 41.42 C ATOM 937 CD GLN A 66 9.545 1.869 4.998 1.00 33.42 C ATOM 938 OE1 GLN A 66 9.864 2.722 4.168 1.00 33.13 O ATOM 939 NE2 GLN A 66 9.424 2.205 6.266 1.00 52.22 N ATOM 0 H GLN A 66 10.175 -2.944 4.951 1.00 21.24 H new ATOM 0 HA GLN A 66 9.322 -1.277 2.649 1.00 54.11 H new ATOM 0 HB2 GLN A 66 11.148 -0.544 4.937 1.00 31.05 H new ATOM 0 HB3 GLN A 66 11.054 0.345 3.429 1.00 31.05 H new ATOM 0 HG2 GLN A 66 8.476 0.412 3.834 1.00 41.42 H new ATOM 0 HG3 GLN A 66 8.838 -0.105 5.469 1.00 41.42 H new ATOM 0 HE21 GLN A 66 9.160 1.502 6.957 1.00 52.22 H new ATOM 0 HE22 GLN A 66 9.594 3.168 6.557 1.00 52.22 H new ATOM 946 N PRO A 67 10.937 -2.925 1.479 1.00 10.24 N ATOM 947 CA PRO A 67 11.982 -3.525 0.667 1.00 25.43 C ATOM 948 C PRO A 67 12.815 -2.470 -0.071 1.00 50.54 C ATOM 949 O PRO A 67 13.976 -2.729 -0.381 1.00 70.33 O ATOM 950 CB PRO A 67 11.245 -4.461 -0.295 1.00 24.22 C ATOM 951 CG PRO A 67 9.878 -3.797 -0.457 1.00 11.15 C ATOM 952 CD PRO A 67 9.617 -3.236 0.939 1.00 25.13 C ATOM 0 HA PRO A 67 12.708 -4.065 1.275 1.00 25.43 H new ATOM 0 HB2 PRO A 67 11.765 -4.548 -1.249 1.00 24.22 H new ATOM 0 HB3 PRO A 67 11.157 -5.468 0.113 1.00 24.22 H new ATOM 0 HG2 PRO A 67 9.895 -3.012 -1.213 1.00 11.15 H new ATOM 0 HG3 PRO A 67 9.112 -4.512 -0.757 1.00 11.15 H new ATOM 0 HD2 PRO A 67 8.990 -2.346 0.895 1.00 25.13 H new ATOM 0 HD3 PRO A 67 9.097 -3.962 1.564 1.00 25.13 H new ATOM 957 N VAL A 68 12.250 -1.297 -0.402 1.00 74.10 N ATOM 958 CA VAL A 68 12.982 -0.241 -1.093 1.00 71.24 C ATOM 959 C VAL A 68 13.886 0.430 -0.054 1.00 32.33 C ATOM 960 O VAL A 68 13.460 1.301 0.710 1.00 34.13 O ATOM 961 CB VAL A 68 12.046 0.746 -1.837 1.00 3.14 C ATOM 962 CG1 VAL A 68 12.859 1.683 -2.745 1.00 21.12 C ATOM 963 CG2 VAL A 68 11.001 0.054 -2.720 1.00 1.25 C ATOM 0 H VAL A 68 11.279 -1.062 -0.196 1.00 74.10 H new ATOM 0 HA VAL A 68 13.595 -0.658 -1.892 1.00 71.24 H new ATOM 0 HB VAL A 68 11.529 1.295 -1.050 1.00 3.14 H new ATOM 0 HG11 VAL A 68 12.184 2.368 -3.258 1.00 21.12 H new ATOM 0 HG12 VAL A 68 13.564 2.253 -2.141 1.00 21.12 H new ATOM 0 HG13 VAL A 68 13.406 1.093 -3.481 1.00 21.12 H new ATOM 0 HG21 VAL A 68 10.382 0.806 -3.209 1.00 1.25 H new ATOM 0 HG22 VAL A 68 11.505 -0.549 -3.476 1.00 1.25 H new ATOM 0 HG23 VAL A 68 10.372 -0.589 -2.104 1.00 1.25 H new ATOM 973 N ARG A 69 15.161 0.042 -0.044 1.00 63.12 N ATOM 974 CA ARG A 69 16.248 0.673 0.705 1.00 2.15 C ATOM 975 C ARG A 69 16.658 1.978 -0.005 1.00 62.14 C ATOM 976 O ARG A 69 17.839 2.248 -0.228 1.00 3.32 O ATOM 977 CB ARG A 69 17.368 -0.379 0.850 1.00 45.53 C ATOM 978 CG ARG A 69 18.304 -0.225 2.059 1.00 14.54 C ATOM 979 CD ARG A 69 19.428 0.783 1.814 1.00 72.40 C ATOM 980 NE ARG A 69 20.540 0.591 2.749 1.00 42.30 N ATOM 981 CZ ARG A 69 21.663 1.309 2.792 1.00 42.43 C ATOM 982 NH1 ARG A 69 21.914 2.267 1.905 1.00 30.24 N ATOM 983 NH2 ARG A 69 22.550 1.050 3.741 1.00 25.14 N ATOM 0 H ARG A 69 15.480 -0.761 -0.585 1.00 63.12 H new ATOM 0 HA ARG A 69 15.963 0.978 1.712 1.00 2.15 H new ATOM 0 HB2 ARG A 69 16.905 -1.365 0.901 1.00 45.53 H new ATOM 0 HB3 ARG A 69 17.975 -0.358 -0.055 1.00 45.53 H new ATOM 0 HG2 ARG A 69 17.722 0.090 2.925 1.00 14.54 H new ATOM 0 HG3 ARG A 69 18.738 -1.195 2.302 1.00 14.54 H new ATOM 0 HD2 ARG A 69 19.791 0.682 0.791 1.00 72.40 H new ATOM 0 HD3 ARG A 69 19.038 1.796 1.916 1.00 72.40 H new ATOM 0 HE ARG A 69 20.446 -0.162 3.431 1.00 42.30 H new ATOM 0 HH11 ARG A 69 21.239 2.469 1.167 1.00 30.24 H new ATOM 0 HH12 ARG A 69 22.782 2.800 1.962 1.00 30.24 H new ATOM 0 HH21 ARG A 69 22.368 0.313 4.422 1.00 25.14 H new ATOM 0 HH22 ARG A 69 23.415 1.588 3.791 1.00 25.14 H new ATOM 994 N SER A 70 15.681 2.773 -0.426 1.00 1.52 N ATOM 995 CA SER A 70 15.792 4.131 -0.915 1.00 4.33 C ATOM 996 C SER A 70 14.452 4.795 -0.598 1.00 21.24 C ATOM 997 O SER A 70 13.460 4.133 -0.288 1.00 5.32 O ATOM 998 CB SER A 70 16.096 4.142 -2.422 1.00 53.20 C ATOM 999 OG SER A 70 16.159 5.468 -2.925 1.00 5.34 O ATOM 0 H SER A 70 14.713 2.452 -0.432 1.00 1.52 H new ATOM 0 HA SER A 70 16.613 4.670 -0.442 1.00 4.33 H new ATOM 0 HB2 SER A 70 17.043 3.635 -2.608 1.00 53.20 H new ATOM 0 HB3 SER A 70 15.326 3.585 -2.955 1.00 53.20 H new ATOM 0 HG SER A 70 16.026 5.456 -3.896 1.00 5.34 H new ATOM 1004 N THR A 71 14.415 6.113 -0.711 1.00 41.30 N ATOM 1005 CA THR A 71 13.238 6.934 -0.472 1.00 10.54 C ATOM 1006 C THR A 71 13.087 7.999 -1.573 1.00 21.31 C ATOM 1007 O THR A 71 12.262 8.903 -1.444 1.00 5.23 O ATOM 1008 CB THR A 71 13.280 7.487 0.976 1.00 31.23 C ATOM 1009 OG1 THR A 71 14.612 7.609 1.459 1.00 70.14 O ATOM 1010 CG2 THR A 71 12.523 6.563 1.937 1.00 12.23 C ATOM 0 H THR A 71 15.232 6.660 -0.981 1.00 41.30 H new ATOM 0 HA THR A 71 12.328 6.337 -0.539 1.00 10.54 H new ATOM 0 HB THR A 71 12.812 8.471 0.939 1.00 31.23 H new ATOM 0 HG1 THR A 71 14.597 7.962 2.373 1.00 70.14 H new ATOM 0 HG21 THR A 71 12.567 6.973 2.946 1.00 12.23 H new ATOM 0 HG22 THR A 71 11.482 6.485 1.622 1.00 12.23 H new ATOM 0 HG23 THR A 71 12.981 5.574 1.927 1.00 12.23 H new ATOM 1018 N PHE A 72 13.865 7.929 -2.666 1.00 74.13 N ATOM 1019 CA PHE A 72 13.650 8.784 -3.836 1.00 72.41 C ATOM 1020 C PHE A 72 12.314 8.447 -4.490 1.00 25.04 C ATOM 1021 O PHE A 72 12.010 7.278 -4.697 1.00 52.20 O ATOM 1022 CB PHE A 72 14.799 8.634 -4.856 1.00 53.52 C ATOM 1023 CG PHE A 72 15.812 9.754 -4.773 1.00 44.42 C ATOM 1024 CD1 PHE A 72 15.387 11.084 -4.951 1.00 21.12 C ATOM 1025 CD2 PHE A 72 17.153 9.488 -4.440 1.00 72.14 C ATOM 1026 CE1 PHE A 72 16.284 12.142 -4.750 1.00 63.03 C ATOM 1027 CE2 PHE A 72 18.057 10.552 -4.269 1.00 21.24 C ATOM 1028 CZ PHE A 72 17.621 11.880 -4.409 1.00 13.44 C ATOM 0 H PHE A 72 14.650 7.285 -2.760 1.00 74.13 H new ATOM 0 HA PHE A 72 13.633 9.821 -3.501 1.00 72.41 H new ATOM 0 HB2 PHE A 72 15.303 7.682 -4.690 1.00 53.52 H new ATOM 0 HB3 PHE A 72 14.382 8.602 -5.863 1.00 53.52 H new ATOM 0 HD1 PHE A 72 14.368 11.290 -5.243 1.00 21.12 H new ATOM 0 HD2 PHE A 72 17.488 8.469 -4.316 1.00 72.14 H new ATOM 0 HE1 PHE A 72 15.946 13.162 -4.858 1.00 63.03 H new ATOM 0 HE2 PHE A 72 19.090 10.347 -4.029 1.00 21.24 H new ATOM 0 HZ PHE A 72 18.311 12.696 -4.255 1.00 13.44 H new ATOM 1037 N GLU A 73 11.546 9.469 -4.861 1.00 34.23 N ATOM 1038 CA GLU A 73 10.255 9.333 -5.530 1.00 32.11 C ATOM 1039 C GLU A 73 10.327 8.379 -6.747 1.00 65.01 C ATOM 1040 O GLU A 73 9.551 7.422 -6.760 1.00 22.05 O ATOM 1041 CB GLU A 73 9.712 10.748 -5.827 1.00 45.54 C ATOM 1042 CG GLU A 73 8.192 10.884 -5.997 1.00 62.24 C ATOM 1043 CD GLU A 73 7.676 10.436 -7.364 1.00 70.11 C ATOM 1044 OE1 GLU A 73 8.182 10.963 -8.381 1.00 32.11 O ATOM 1045 OE2 GLU A 73 6.771 9.571 -7.400 1.00 45.53 O ATOM 0 H GLU A 73 11.812 10.440 -4.700 1.00 34.23 H new ATOM 0 HA GLU A 73 9.531 8.842 -4.880 1.00 32.11 H new ATOM 0 HB2 GLU A 73 10.024 11.408 -5.018 1.00 45.54 H new ATOM 0 HB3 GLU A 73 10.190 11.111 -6.737 1.00 45.54 H new ATOM 0 HG2 GLU A 73 7.696 10.298 -5.223 1.00 62.24 H new ATOM 0 HG3 GLU A 73 7.911 11.925 -5.837 1.00 62.24 H new ATOM 1050 N PRO A 74 11.262 8.521 -7.714 1.00 3.41 N ATOM 1051 CA PRO A 74 11.341 7.602 -8.853 1.00 24.11 C ATOM 1052 C PRO A 74 11.910 6.223 -8.497 1.00 73.22 C ATOM 1053 O PRO A 74 11.699 5.283 -9.260 1.00 13.15 O ATOM 1054 CB PRO A 74 12.253 8.285 -9.876 1.00 21.13 C ATOM 1055 CG PRO A 74 13.178 9.114 -8.994 1.00 45.44 C ATOM 1056 CD PRO A 74 12.237 9.591 -7.890 1.00 41.32 C ATOM 0 HA PRO A 74 10.336 7.410 -9.229 1.00 24.11 H new ATOM 0 HB2 PRO A 74 12.805 7.560 -10.474 1.00 21.13 H new ATOM 0 HB3 PRO A 74 11.689 8.908 -10.570 1.00 21.13 H new ATOM 0 HG2 PRO A 74 14.001 8.520 -8.597 1.00 45.44 H new ATOM 0 HG3 PRO A 74 13.620 9.948 -9.539 1.00 45.44 H new ATOM 0 HD2 PRO A 74 12.782 9.780 -6.965 1.00 41.32 H new ATOM 0 HD3 PRO A 74 11.748 10.525 -8.168 1.00 41.32 H new ATOM 1061 N ASP A 75 12.643 6.087 -7.384 1.00 14.11 N ATOM 1062 CA ASP A 75 13.158 4.792 -6.928 1.00 30.23 C ATOM 1063 C ASP A 75 11.994 3.983 -6.361 1.00 23.44 C ATOM 1064 O ASP A 75 11.893 2.777 -6.587 1.00 52.30 O ATOM 1065 CB ASP A 75 14.230 4.940 -5.823 1.00 44.21 C ATOM 1066 CG ASP A 75 15.670 5.115 -6.312 1.00 63.10 C ATOM 1067 OD1 ASP A 75 15.962 4.961 -7.516 1.00 62.33 O ATOM 1068 OD2 ASP A 75 16.566 5.369 -5.471 1.00 2.25 O ATOM 0 H ASP A 75 12.894 6.868 -6.778 1.00 14.11 H new ATOM 0 HA ASP A 75 13.621 4.297 -7.782 1.00 30.23 H new ATOM 0 HB2 ASP A 75 13.970 5.798 -5.203 1.00 44.21 H new ATOM 0 HB3 ASP A 75 14.188 4.059 -5.182 1.00 44.21 H new ATOM 1072 N LEU A 76 11.130 4.658 -5.601 1.00 71.32 N ATOM 1073 CA LEU A 76 9.971 4.105 -4.933 1.00 52.40 C ATOM 1074 C LEU A 76 8.972 3.680 -5.992 1.00 44.31 C ATOM 1075 O LEU A 76 8.616 2.511 -6.014 1.00 24.05 O ATOM 1076 CB LEU A 76 9.355 5.136 -3.967 1.00 1.53 C ATOM 1077 CG LEU A 76 10.215 5.433 -2.725 1.00 64.13 C ATOM 1078 CD1 LEU A 76 9.710 6.715 -2.063 1.00 43.30 C ATOM 1079 CD2 LEU A 76 10.190 4.308 -1.686 1.00 71.23 C ATOM 0 H LEU A 76 11.234 5.658 -5.432 1.00 71.32 H new ATOM 0 HA LEU A 76 10.260 3.241 -4.335 1.00 52.40 H new ATOM 0 HB2 LEU A 76 9.185 6.067 -4.508 1.00 1.53 H new ATOM 0 HB3 LEU A 76 8.380 4.774 -3.641 1.00 1.53 H new ATOM 0 HG LEU A 76 11.244 5.534 -3.071 1.00 64.13 H new ATOM 0 HD11 LEU A 76 10.314 6.932 -1.182 1.00 43.30 H new ATOM 0 HD12 LEU A 76 9.786 7.543 -2.768 1.00 43.30 H new ATOM 0 HD13 LEU A 76 8.669 6.586 -1.766 1.00 43.30 H new ATOM 0 HD21 LEU A 76 10.816 4.583 -0.837 1.00 71.23 H new ATOM 0 HD22 LEU A 76 9.167 4.150 -1.346 1.00 71.23 H new ATOM 0 HD23 LEU A 76 10.569 3.390 -2.135 1.00 71.23 H new ATOM 1090 N ASP A 77 8.520 4.584 -6.864 1.00 50.44 N ATOM 1091 CA ASP A 77 7.429 4.260 -7.786 1.00 32.33 C ATOM 1092 C ASP A 77 7.806 3.123 -8.732 1.00 71.32 C ATOM 1093 O ASP A 77 7.016 2.207 -8.956 1.00 5.53 O ATOM 1094 CB ASP A 77 7.009 5.484 -8.595 1.00 5.34 C ATOM 1095 CG ASP A 77 5.651 5.240 -9.257 1.00 14.34 C ATOM 1096 OD1 ASP A 77 4.712 4.891 -8.502 1.00 32.33 O ATOM 1097 OD2 ASP A 77 5.529 5.492 -10.476 1.00 24.22 O ATOM 0 H ASP A 77 8.886 5.532 -6.951 1.00 50.44 H new ATOM 0 HA ASP A 77 6.588 3.933 -7.175 1.00 32.33 H new ATOM 0 HB2 ASP A 77 6.953 6.357 -7.945 1.00 5.34 H new ATOM 0 HB3 ASP A 77 7.759 5.701 -9.356 1.00 5.34 H new ATOM 1101 N ALA A 78 9.066 3.109 -9.184 1.00 70.40 N ATOM 1102 CA ALA A 78 9.609 2.018 -9.978 1.00 62.31 C ATOM 1103 C ALA A 78 9.461 0.668 -9.273 1.00 4.45 C ATOM 1104 O ALA A 78 9.366 -0.351 -9.959 1.00 24.41 O ATOM 1105 CB ALA A 78 11.083 2.281 -10.275 1.00 72.21 C ATOM 0 H ALA A 78 9.733 3.859 -9.005 1.00 70.40 H new ATOM 0 HA ALA A 78 9.042 1.972 -10.908 1.00 62.31 H new ATOM 0 HB1 ALA A 78 11.486 1.461 -10.870 1.00 72.21 H new ATOM 0 HB2 ALA A 78 11.182 3.214 -10.829 1.00 72.21 H new ATOM 0 HB3 ALA A 78 11.635 2.355 -9.338 1.00 72.21 H new ATOM 1111 N TYR A 79 9.416 0.623 -7.934 1.00 73.03 N ATOM 1112 CA TYR A 79 9.121 -0.612 -7.217 1.00 4.24 C ATOM 1113 C TYR A 79 7.745 -1.161 -7.586 1.00 64.34 C ATOM 1114 O TYR A 79 7.629 -2.353 -7.860 1.00 11.42 O ATOM 1115 CB TYR A 79 9.150 -0.451 -5.696 1.00 51.54 C ATOM 1116 CG TYR A 79 9.142 -1.802 -5.025 1.00 72.30 C ATOM 1117 CD1 TYR A 79 10.305 -2.591 -5.056 1.00 2.41 C ATOM 1118 CD2 TYR A 79 7.943 -2.327 -4.516 1.00 10.13 C ATOM 1119 CE1 TYR A 79 10.265 -3.922 -4.608 1.00 13.12 C ATOM 1120 CE2 TYR A 79 7.906 -3.650 -4.041 1.00 4.33 C ATOM 1121 CZ TYR A 79 9.064 -4.456 -4.096 1.00 3.52 C ATOM 1122 OH TYR A 79 9.040 -5.758 -3.705 1.00 33.21 O ATOM 0 H TYR A 79 9.581 1.430 -7.332 1.00 73.03 H new ATOM 0 HA TYR A 79 9.910 -1.300 -7.520 1.00 4.24 H new ATOM 0 HB2 TYR A 79 10.040 0.104 -5.399 1.00 51.54 H new ATOM 0 HB3 TYR A 79 8.288 0.130 -5.369 1.00 51.54 H new ATOM 0 HD1 TYR A 79 11.230 -2.174 -5.425 1.00 2.41 H new ATOM 0 HD2 TYR A 79 7.052 -1.717 -4.489 1.00 10.13 H new ATOM 0 HE1 TYR A 79 11.153 -4.535 -4.656 1.00 13.12 H new ATOM 0 HE2 TYR A 79 6.990 -4.051 -3.633 1.00 4.33 H new ATOM 0 HH TYR A 79 8.146 -5.984 -3.373 1.00 33.21 H new ATOM 1131 N ALA A 80 6.698 -0.335 -7.556 1.00 54.41 N ATOM 1132 CA ALA A 80 5.346 -0.801 -7.831 1.00 61.31 C ATOM 1133 C ALA A 80 5.227 -1.310 -9.269 1.00 72.40 C ATOM 1134 O ALA A 80 4.512 -2.282 -9.515 1.00 2.41 O ATOM 1135 CB ALA A 80 4.339 0.313 -7.538 1.00 23.12 C ATOM 0 H ALA A 80 6.765 0.660 -7.343 1.00 54.41 H new ATOM 0 HA ALA A 80 5.120 -1.641 -7.174 1.00 61.31 H new ATOM 0 HB1 ALA A 80 3.330 -0.044 -7.746 1.00 23.12 H new ATOM 0 HB2 ALA A 80 4.412 0.603 -6.490 1.00 23.12 H new ATOM 0 HB3 ALA A 80 4.556 1.175 -8.169 1.00 23.12 H new ATOM 1141 N GLU A 81 5.987 -0.731 -10.201 1.00 53.50 N ATOM 1142 CA GLU A 81 6.052 -1.207 -11.568 1.00 53.50 C ATOM 1143 C GLU A 81 6.739 -2.573 -11.572 1.00 41.41 C ATOM 1144 O GLU A 81 6.261 -3.533 -12.174 1.00 12.24 O ATOM 1145 CB GLU A 81 6.839 -0.219 -12.438 1.00 72.43 C ATOM 1146 CG GLU A 81 6.215 1.184 -12.569 1.00 33.23 C ATOM 1147 CD GLU A 81 6.418 1.806 -13.961 1.00 71.04 C ATOM 1148 OE1 GLU A 81 6.230 1.078 -14.967 1.00 24.24 O ATOM 1149 OE2 GLU A 81 6.715 3.020 -14.062 1.00 45.31 O ATOM 0 H GLU A 81 6.574 0.084 -10.020 1.00 53.50 H new ATOM 0 HA GLU A 81 5.046 -1.294 -11.978 1.00 53.50 H new ATOM 0 HB2 GLU A 81 7.842 -0.115 -12.025 1.00 72.43 H new ATOM 0 HB3 GLU A 81 6.948 -0.645 -13.435 1.00 72.43 H new ATOM 0 HG2 GLU A 81 5.148 1.122 -12.357 1.00 33.23 H new ATOM 0 HG3 GLU A 81 6.651 1.841 -11.817 1.00 33.23 H new ATOM 1154 N ARG A 82 7.865 -2.668 -10.862 1.00 45.34 N ATOM 1155 CA ARG A 82 8.684 -3.864 -10.804 1.00 65.44 C ATOM 1156 C ARG A 82 7.924 -5.032 -10.194 1.00 43.34 C ATOM 1157 O ARG A 82 8.064 -6.161 -10.654 1.00 4.24 O ATOM 1158 CB ARG A 82 9.970 -3.548 -10.023 1.00 72.40 C ATOM 1159 CG ARG A 82 10.957 -4.714 -9.918 1.00 52.53 C ATOM 1160 CD ARG A 82 12.200 -4.295 -9.111 1.00 43.23 C ATOM 1161 NE ARG A 82 13.423 -4.461 -9.902 1.00 25.45 N ATOM 1162 CZ ARG A 82 14.680 -4.271 -9.505 1.00 31.31 C ATOM 1163 NH1 ARG A 82 14.978 -3.897 -8.269 1.00 10.55 N ATOM 1164 NH2 ARG A 82 15.668 -4.463 -10.371 1.00 51.54 N ATOM 0 H ARG A 82 8.233 -1.898 -10.304 1.00 45.34 H new ATOM 0 HA ARG A 82 8.949 -4.169 -11.816 1.00 65.44 H new ATOM 0 HB2 ARG A 82 10.472 -2.707 -10.501 1.00 72.40 H new ATOM 0 HB3 ARG A 82 9.699 -3.228 -9.017 1.00 72.40 H new ATOM 0 HG2 ARG A 82 10.474 -5.565 -9.438 1.00 52.53 H new ATOM 0 HG3 ARG A 82 11.255 -5.037 -10.915 1.00 52.53 H new ATOM 0 HD2 ARG A 82 12.102 -3.255 -8.801 1.00 43.23 H new ATOM 0 HD3 ARG A 82 12.267 -4.894 -8.203 1.00 43.23 H new ATOM 0 HE ARG A 82 13.296 -4.757 -10.870 1.00 25.45 H new ATOM 0 HH11 ARG A 82 14.233 -3.746 -7.588 1.00 10.55 H new ATOM 0 HH12 ARG A 82 15.952 -3.760 -7.998 1.00 10.55 H new ATOM 0 HH21 ARG A 82 15.460 -4.752 -11.327 1.00 51.54 H new ATOM 0 HH22 ARG A 82 16.635 -4.321 -10.081 1.00 51.54 H new ATOM 1175 N ALA A 83 7.146 -4.781 -9.146 1.00 34.12 N ATOM 1176 CA ALA A 83 6.339 -5.786 -8.488 1.00 25.13 C ATOM 1177 C ALA A 83 5.299 -6.319 -9.486 1.00 12.21 C ATOM 1178 O ALA A 83 5.195 -7.532 -9.681 1.00 54.43 O ATOM 1179 CB ALA A 83 5.727 -5.164 -7.227 1.00 33.13 C ATOM 0 H ALA A 83 7.062 -3.855 -8.728 1.00 34.12 H new ATOM 0 HA ALA A 83 6.929 -6.644 -8.167 1.00 25.13 H new ATOM 0 HB1 ALA A 83 5.114 -5.906 -6.716 1.00 33.13 H new ATOM 0 HB2 ALA A 83 6.524 -4.831 -6.562 1.00 33.13 H new ATOM 0 HB3 ALA A 83 5.107 -4.312 -7.506 1.00 33.13 H new ATOM 1185 N ALA A 84 4.602 -5.423 -10.200 1.00 53.12 N ATOM 1186 CA ALA A 84 3.614 -5.732 -11.240 1.00 1.35 C ATOM 1187 C ALA A 84 4.257 -6.210 -12.560 1.00 53.13 C ATOM 1188 O ALA A 84 3.791 -5.882 -13.651 1.00 53.53 O ATOM 1189 CB ALA A 84 2.716 -4.507 -11.480 1.00 24.35 C ATOM 0 H ALA A 84 4.718 -4.419 -10.061 1.00 53.12 H new ATOM 0 HA ALA A 84 3.010 -6.565 -10.879 1.00 1.35 H new ATOM 0 HB1 ALA A 84 1.983 -4.739 -12.253 1.00 24.35 H new ATOM 0 HB2 ALA A 84 2.199 -4.248 -10.556 1.00 24.35 H new ATOM 0 HB3 ALA A 84 3.328 -3.665 -11.802 1.00 24.35 H new ATOM 1195 N ARG A 85 5.338 -6.984 -12.481 1.00 31.35 N ATOM 1196 CA ARG A 85 5.956 -7.651 -13.626 1.00 51.51 C ATOM 1197 C ARG A 85 6.307 -9.106 -13.378 1.00 11.21 C ATOM 1198 O ARG A 85 6.634 -9.839 -14.315 1.00 2.35 O ATOM 1199 CB ARG A 85 7.211 -6.884 -14.010 1.00 71.31 C ATOM 1200 CG ARG A 85 6.913 -5.833 -15.079 1.00 34.33 C ATOM 1201 CD ARG A 85 8.126 -5.881 -15.987 1.00 14.51 C ATOM 1202 NE ARG A 85 8.070 -4.834 -17.006 1.00 11.25 N ATOM 1203 CZ ARG A 85 9.011 -4.538 -17.901 1.00 51.43 C ATOM 1204 NH1 ARG A 85 10.182 -5.169 -17.882 1.00 43.53 N ATOM 1205 NH2 ARG A 85 8.769 -3.613 -18.818 1.00 23.02 N ATOM 0 H ARG A 85 5.819 -7.169 -11.601 1.00 31.35 H new ATOM 0 HA ARG A 85 5.221 -7.653 -14.431 1.00 51.51 H new ATOM 0 HB2 ARG A 85 7.629 -6.400 -13.127 1.00 71.31 H new ATOM 0 HB3 ARG A 85 7.966 -7.578 -14.380 1.00 71.31 H new ATOM 0 HG2 ARG A 85 5.997 -6.065 -15.623 1.00 34.33 H new ATOM 0 HG3 ARG A 85 6.781 -4.844 -14.641 1.00 34.33 H new ATOM 0 HD2 ARG A 85 9.032 -5.765 -15.393 1.00 14.51 H new ATOM 0 HD3 ARG A 85 8.184 -6.857 -16.469 1.00 14.51 H new ATOM 0 HE ARG A 85 7.220 -4.271 -17.035 1.00 11.25 H new ATOM 0 HH11 ARG A 85 10.364 -5.885 -17.179 1.00 43.53 H new ATOM 0 HH12 ARG A 85 10.898 -4.937 -18.571 1.00 43.53 H new ATOM 0 HH21 ARG A 85 7.868 -3.134 -18.834 1.00 23.02 H new ATOM 0 HH22 ARG A 85 9.483 -3.379 -19.508 1.00 23.02 H new ATOM 1216 N ILE A 86 6.330 -9.508 -12.115 1.00 73.03 N ATOM 1217 CA ILE A 86 6.539 -10.895 -11.726 1.00 63.11 C ATOM 1218 C ILE A 86 5.358 -11.403 -10.899 1.00 74.20 C ATOM 1219 O ILE A 86 5.053 -12.594 -10.989 1.00 23.03 O ATOM 1220 CB ILE A 86 7.905 -11.105 -11.024 1.00 44.51 C ATOM 1221 CG1 ILE A 86 9.101 -10.431 -11.736 1.00 33.25 C ATOM 1222 CG2 ILE A 86 8.221 -12.612 -10.961 1.00 64.30 C ATOM 1223 CD1 ILE A 86 9.334 -8.962 -11.364 1.00 62.22 C ATOM 0 H ILE A 86 6.203 -8.875 -11.325 1.00 73.03 H new ATOM 0 HA ILE A 86 6.583 -11.500 -12.632 1.00 63.11 H new ATOM 0 HB ILE A 86 7.795 -10.647 -10.041 1.00 44.51 H new ATOM 0 HG12 ILE A 86 10.005 -10.995 -11.508 1.00 33.25 H new ATOM 0 HG13 ILE A 86 8.947 -10.497 -12.813 1.00 33.25 H new ATOM 0 HG21 ILE A 86 9.181 -12.762 -10.468 1.00 64.30 H new ATOM 0 HG22 ILE A 86 7.440 -13.124 -10.399 1.00 64.30 H new ATOM 0 HG23 ILE A 86 8.265 -13.017 -11.972 1.00 64.30 H new ATOM 0 HD11 ILE A 86 10.193 -8.579 -11.914 1.00 62.22 H new ATOM 0 HD12 ILE A 86 8.450 -8.377 -11.619 1.00 62.22 H new ATOM 0 HD13 ILE A 86 9.524 -8.884 -10.294 1.00 62.22 H new ATOM 1234 N ASP A 87 4.673 -10.559 -10.116 1.00 52.51 N ATOM 1235 CA ASP A 87 3.506 -11.043 -9.381 1.00 65.24 C ATOM 1236 C ASP A 87 2.368 -11.276 -10.370 1.00 14.21 C ATOM 1237 O ASP A 87 2.176 -10.461 -11.277 1.00 21.24 O ATOM 1238 CB ASP A 87 3.087 -10.061 -8.277 1.00 1.34 C ATOM 1239 CG ASP A 87 3.808 -10.369 -6.966 1.00 12.54 C ATOM 1240 OD1 ASP A 87 5.035 -10.611 -6.991 1.00 54.24 O ATOM 1241 OD2 ASP A 87 3.130 -10.468 -5.919 1.00 2.41 O ATOM 0 H ASP A 87 4.898 -9.574 -9.980 1.00 52.51 H new ATOM 0 HA ASP A 87 3.759 -11.980 -8.885 1.00 65.24 H new ATOM 0 HB2 ASP A 87 3.312 -9.041 -8.589 1.00 1.34 H new ATOM 0 HB3 ASP A 87 2.009 -10.118 -8.125 1.00 1.34 H new ATOM 1245 N PRO A 88 1.553 -12.322 -10.161 1.00 64.02 N ATOM 1246 CA PRO A 88 0.540 -12.716 -11.121 1.00 70.11 C ATOM 1247 C PRO A 88 -0.598 -11.705 -11.123 1.00 13.22 C ATOM 1248 O PRO A 88 -1.041 -11.310 -12.202 1.00 70.33 O ATOM 1249 CB PRO A 88 0.091 -14.122 -10.711 1.00 63.31 C ATOM 1250 CG PRO A 88 0.408 -14.173 -9.218 1.00 25.04 C ATOM 1251 CD PRO A 88 1.643 -13.295 -9.085 1.00 2.44 C ATOM 0 HA PRO A 88 0.917 -12.736 -12.144 1.00 70.11 H new ATOM 0 HB2 PRO A 88 -0.971 -14.276 -10.902 1.00 63.31 H new ATOM 0 HB3 PRO A 88 0.629 -14.893 -11.263 1.00 63.31 H new ATOM 0 HG2 PRO A 88 -0.420 -13.794 -8.619 1.00 25.04 H new ATOM 0 HG3 PRO A 88 0.603 -15.192 -8.884 1.00 25.04 H new ATOM 0 HD2 PRO A 88 1.670 -12.802 -8.113 1.00 2.44 H new ATOM 0 HD3 PRO A 88 2.555 -13.887 -9.168 1.00 2.44 H new ATOM 1256 N ASP A 89 -1.053 -11.252 -9.949 1.00 42.32 N ATOM 1257 CA ASP A 89 -2.177 -10.319 -9.901 1.00 74.33 C ATOM 1258 C ASP A 89 -2.149 -9.449 -8.648 1.00 22.12 C ATOM 1259 O ASP A 89 -2.894 -9.661 -7.690 1.00 54.34 O ATOM 1260 CB ASP A 89 -3.511 -11.066 -10.073 1.00 52.51 C ATOM 1261 CG ASP A 89 -4.441 -10.359 -11.053 1.00 2.25 C ATOM 1262 OD1 ASP A 89 -4.230 -9.173 -11.393 1.00 31.15 O ATOM 1263 OD2 ASP A 89 -5.383 -11.031 -11.524 1.00 23.43 O ATOM 0 H ASP A 89 -0.669 -11.511 -9.040 1.00 42.32 H new ATOM 0 HA ASP A 89 -2.078 -9.632 -10.741 1.00 74.33 H new ATOM 0 HB2 ASP A 89 -3.316 -12.079 -10.425 1.00 52.51 H new ATOM 0 HB3 ASP A 89 -4.004 -11.154 -9.105 1.00 52.51 H new ATOM 1267 N ILE A 90 -1.258 -8.467 -8.640 1.00 12.21 N ATOM 1268 CA ILE A 90 -1.024 -7.589 -7.499 1.00 33.24 C ATOM 1269 C ILE A 90 -1.987 -6.393 -7.540 1.00 50.21 C ATOM 1270 O ILE A 90 -2.441 -5.986 -8.610 1.00 21.35 O ATOM 1271 CB ILE A 90 0.478 -7.224 -7.485 1.00 73.00 C ATOM 1272 CG1 ILE A 90 0.894 -6.503 -6.189 1.00 53.24 C ATOM 1273 CG2 ILE A 90 0.922 -6.439 -8.734 1.00 10.24 C ATOM 1274 CD1 ILE A 90 2.407 -6.579 -5.956 1.00 42.34 C ATOM 0 H ILE A 90 -0.665 -8.253 -9.442 1.00 12.21 H new ATOM 0 HA ILE A 90 -1.243 -8.079 -6.550 1.00 33.24 H new ATOM 0 HB ILE A 90 1.009 -8.176 -7.513 1.00 73.00 H new ATOM 0 HG12 ILE A 90 0.586 -5.459 -6.239 1.00 53.24 H new ATOM 0 HG13 ILE A 90 0.373 -6.949 -5.342 1.00 53.24 H new ATOM 0 HG21 ILE A 90 1.986 -6.214 -8.663 1.00 10.24 H new ATOM 0 HG22 ILE A 90 0.737 -7.038 -9.625 1.00 10.24 H new ATOM 0 HG23 ILE A 90 0.358 -5.509 -8.799 1.00 10.24 H new ATOM 0 HD11 ILE A 90 2.659 -6.059 -5.032 1.00 42.34 H new ATOM 0 HD12 ILE A 90 2.711 -7.623 -5.879 1.00 42.34 H new ATOM 0 HD13 ILE A 90 2.928 -6.110 -6.791 1.00 42.34 H new ATOM 1285 N TRP A 91 -2.307 -5.828 -6.378 1.00 54.20 N ATOM 1286 CA TRP A 91 -3.042 -4.586 -6.186 1.00 51.13 C ATOM 1287 C TRP A 91 -2.032 -3.503 -5.823 1.00 11.22 C ATOM 1288 O TRP A 91 -1.105 -3.748 -5.057 1.00 42.12 O ATOM 1289 CB TRP A 91 -4.051 -4.746 -5.041 1.00 12.11 C ATOM 1290 CG TRP A 91 -5.205 -5.669 -5.284 1.00 23.04 C ATOM 1291 CD1 TRP A 91 -5.143 -7.016 -5.349 1.00 30.33 C ATOM 1292 CD2 TRP A 91 -6.614 -5.338 -5.444 1.00 30.14 C ATOM 1293 NE1 TRP A 91 -6.409 -7.526 -5.550 1.00 65.25 N ATOM 1294 CE2 TRP A 91 -7.354 -6.533 -5.648 1.00 5.10 C ATOM 1295 CE3 TRP A 91 -7.343 -4.138 -5.424 1.00 33.04 C ATOM 1296 CZ2 TRP A 91 -8.740 -6.524 -5.867 1.00 61.05 C ATOM 1297 CZ3 TRP A 91 -8.740 -4.112 -5.594 1.00 21.00 C ATOM 1298 CH2 TRP A 91 -9.440 -5.310 -5.817 1.00 72.44 C ATOM 0 H TRP A 91 -2.042 -6.255 -5.491 1.00 54.20 H new ATOM 0 HA TRP A 91 -3.585 -4.323 -7.094 1.00 51.13 H new ATOM 0 HB2 TRP A 91 -3.513 -5.098 -4.161 1.00 12.11 H new ATOM 0 HB3 TRP A 91 -4.449 -3.761 -4.798 1.00 12.11 H new ATOM 0 HD1 TRP A 91 -4.241 -7.604 -5.258 1.00 30.33 H new ATOM 0 HE1 TRP A 91 -6.619 -8.522 -5.618 1.00 65.25 H new ATOM 0 HE3 TRP A 91 -6.816 -3.207 -5.274 1.00 33.04 H new ATOM 0 HZ2 TRP A 91 -9.264 -7.446 -6.073 1.00 61.05 H new ATOM 0 HZ3 TRP A 91 -9.273 -3.173 -5.553 1.00 21.00 H new ATOM 0 HH2 TRP A 91 -10.512 -5.296 -5.949 1.00 72.44 H new ATOM 1308 N VAL A 92 -2.254 -2.286 -6.307 1.00 10.44 N ATOM 1309 CA VAL A 92 -1.438 -1.118 -6.011 1.00 32.01 C ATOM 1310 C VAL A 92 -2.402 -0.086 -5.453 1.00 32.34 C ATOM 1311 O VAL A 92 -3.513 0.056 -5.973 1.00 72.12 O ATOM 1312 CB VAL A 92 -0.735 -0.619 -7.289 1.00 3.22 C ATOM 1313 CG1 VAL A 92 0.132 0.625 -7.030 1.00 50.50 C ATOM 1314 CG2 VAL A 92 0.170 -1.690 -7.910 1.00 50.52 C ATOM 0 H VAL A 92 -3.031 -2.081 -6.935 1.00 10.44 H new ATOM 0 HA VAL A 92 -0.643 -1.334 -5.297 1.00 32.01 H new ATOM 0 HB VAL A 92 -1.544 -0.372 -7.976 1.00 3.22 H new ATOM 0 HG11 VAL A 92 0.606 0.938 -7.960 1.00 50.50 H new ATOM 0 HG12 VAL A 92 -0.495 1.433 -6.652 1.00 50.50 H new ATOM 0 HG13 VAL A 92 0.900 0.387 -6.294 1.00 50.50 H new ATOM 0 HG21 VAL A 92 0.643 -1.291 -8.807 1.00 50.52 H new ATOM 0 HG22 VAL A 92 0.938 -1.978 -7.192 1.00 50.52 H new ATOM 0 HG23 VAL A 92 -0.427 -2.563 -8.172 1.00 50.52 H new ATOM 1324 N VAL A 93 -1.991 0.632 -4.414 1.00 74.41 N ATOM 1325 CA VAL A 93 -2.816 1.599 -3.720 1.00 2.41 C ATOM 1326 C VAL A 93 -1.932 2.818 -3.455 1.00 65.22 C ATOM 1327 O VAL A 93 -0.832 2.683 -2.914 1.00 34.10 O ATOM 1328 CB VAL A 93 -3.394 0.940 -2.451 1.00 72.41 C ATOM 1329 CG1 VAL A 93 -4.291 1.920 -1.697 1.00 51.41 C ATOM 1330 CG2 VAL A 93 -4.216 -0.316 -2.804 1.00 2.54 C ATOM 0 H VAL A 93 -1.051 0.552 -4.026 1.00 74.41 H new ATOM 0 HA VAL A 93 -3.679 1.931 -4.297 1.00 2.41 H new ATOM 0 HB VAL A 93 -2.552 0.653 -1.821 1.00 72.41 H new ATOM 0 HG11 VAL A 93 -4.689 1.436 -0.805 1.00 51.41 H new ATOM 0 HG12 VAL A 93 -3.710 2.795 -1.407 1.00 51.41 H new ATOM 0 HG13 VAL A 93 -5.115 2.228 -2.341 1.00 51.41 H new ATOM 0 HG21 VAL A 93 -4.612 -0.760 -1.891 1.00 2.54 H new ATOM 0 HG22 VAL A 93 -5.041 -0.038 -3.459 1.00 2.54 H new ATOM 0 HG23 VAL A 93 -3.577 -1.038 -3.312 1.00 2.54 H new ATOM 1340 N GLU A 94 -2.408 3.989 -3.873 1.00 30.34 N ATOM 1341 CA GLU A 94 -1.662 5.240 -3.942 1.00 24.14 C ATOM 1342 C GLU A 94 -2.383 6.249 -3.046 1.00 72.15 C ATOM 1343 O GLU A 94 -3.556 6.549 -3.295 1.00 73.23 O ATOM 1344 CB GLU A 94 -1.630 5.719 -5.409 1.00 41.32 C ATOM 1345 CG GLU A 94 -0.775 4.861 -6.359 1.00 64.10 C ATOM 1346 CD GLU A 94 0.743 5.004 -6.178 1.00 41.52 C ATOM 1347 OE1 GLU A 94 1.214 6.015 -5.598 1.00 41.24 O ATOM 1348 OE2 GLU A 94 1.468 4.108 -6.660 1.00 64.43 O ATOM 0 H GLU A 94 -3.372 4.094 -4.188 1.00 30.34 H new ATOM 0 HA GLU A 94 -0.633 5.120 -3.603 1.00 24.14 H new ATOM 0 HB2 GLU A 94 -2.651 5.745 -5.789 1.00 41.32 H new ATOM 0 HB3 GLU A 94 -1.255 6.742 -5.432 1.00 41.32 H new ATOM 0 HG2 GLU A 94 -1.045 3.814 -6.220 1.00 64.10 H new ATOM 0 HG3 GLU A 94 -1.029 5.122 -7.386 1.00 64.10 H new ATOM 1353 N ILE A 95 -1.722 6.731 -1.990 1.00 74.03 N ATOM 1354 CA ILE A 95 -2.286 7.496 -0.882 1.00 14.34 C ATOM 1355 C ILE A 95 -1.504 8.818 -0.778 1.00 4.53 C ATOM 1356 O ILE A 95 -0.502 8.902 -0.066 1.00 4.41 O ATOM 1357 CB ILE A 95 -2.212 6.642 0.415 1.00 5.10 C ATOM 1358 CG1 ILE A 95 -2.743 5.206 0.208 1.00 63.23 C ATOM 1359 CG2 ILE A 95 -2.884 7.287 1.649 1.00 13.14 C ATOM 1360 CD1 ILE A 95 -4.220 5.125 -0.201 1.00 24.11 C ATOM 0 H ILE A 95 -0.718 6.587 -1.882 1.00 74.03 H new ATOM 0 HA ILE A 95 -3.337 7.736 -1.041 1.00 14.34 H new ATOM 0 HB ILE A 95 -1.145 6.594 0.635 1.00 5.10 H new ATOM 0 HG12 ILE A 95 -2.140 4.716 -0.557 1.00 63.23 H new ATOM 0 HG13 ILE A 95 -2.604 4.644 1.132 1.00 63.23 H new ATOM 0 HG21 ILE A 95 -2.784 6.622 2.507 1.00 13.14 H new ATOM 0 HG22 ILE A 95 -2.402 8.239 1.870 1.00 13.14 H new ATOM 0 HG23 ILE A 95 -3.941 7.455 1.441 1.00 13.14 H new ATOM 0 HD11 ILE A 95 -4.507 4.081 -0.324 1.00 24.11 H new ATOM 0 HD12 ILE A 95 -4.837 5.582 0.572 1.00 24.11 H new ATOM 0 HD13 ILE A 95 -4.366 5.655 -1.142 1.00 24.11 H new ATOM 1371 N GLU A 96 -1.941 9.866 -1.478 1.00 10.41 N ATOM 1372 CA GLU A 96 -1.392 11.199 -1.253 1.00 44.34 C ATOM 1373 C GLU A 96 -2.000 11.743 0.041 1.00 4.31 C ATOM 1374 O GLU A 96 -3.229 11.738 0.172 1.00 30.44 O ATOM 1375 CB GLU A 96 -1.812 12.178 -2.345 1.00 4.13 C ATOM 1376 CG GLU A 96 -1.118 12.140 -3.705 1.00 72.33 C ATOM 1377 CD GLU A 96 -1.710 13.240 -4.603 1.00 32.21 C ATOM 1378 OE1 GLU A 96 -2.205 14.271 -4.072 1.00 34.33 O ATOM 1379 OE2 GLU A 96 -1.721 13.071 -5.841 1.00 24.13 O ATOM 0 H GLU A 96 -2.664 9.817 -2.196 1.00 10.41 H new ATOM 0 HA GLU A 96 -0.306 11.112 -1.228 1.00 44.34 H new ATOM 0 HB2 GLU A 96 -2.878 12.033 -2.520 1.00 4.13 H new ATOM 0 HB3 GLU A 96 -1.689 13.184 -1.945 1.00 4.13 H new ATOM 0 HG2 GLU A 96 -0.045 12.290 -3.584 1.00 72.33 H new ATOM 0 HG3 GLU A 96 -1.253 11.163 -4.169 1.00 72.33 H new ATOM 1384 N ASP A 97 -1.200 12.315 0.937 1.00 2.43 N ATOM 1385 CA ASP A 97 -1.697 13.184 2.013 1.00 71.33 C ATOM 1386 C ASP A 97 -0.733 14.360 2.221 1.00 5.43 C ATOM 1387 O ASP A 97 0.321 14.431 1.593 1.00 65.11 O ATOM 1388 CB ASP A 97 -1.950 12.392 3.307 1.00 23.24 C ATOM 1389 CG ASP A 97 -2.880 13.150 4.263 1.00 23.12 C ATOM 1390 OD1 ASP A 97 -2.383 13.973 5.064 1.00 54.24 O ATOM 1391 OD2 ASP A 97 -4.108 12.924 4.204 1.00 23.04 O ATOM 0 H ASP A 97 -0.187 12.192 0.942 1.00 2.43 H new ATOM 0 HA ASP A 97 -2.663 13.594 1.718 1.00 71.33 H new ATOM 0 HB2 ASP A 97 -2.390 11.425 3.062 1.00 23.24 H new ATOM 0 HB3 ASP A 97 -1.000 12.194 3.804 1.00 23.24 H new ATOM 1395 N ARG A 98 -1.078 15.305 3.091 1.00 13.51 N ATOM 1396 CA ARG A 98 -0.298 16.492 3.430 1.00 42.51 C ATOM 1397 C ARG A 98 0.510 16.307 4.725 1.00 25.33 C ATOM 1398 O ARG A 98 1.430 17.043 5.009 1.00 42.11 O ATOM 1399 CB ARG A 98 -1.244 17.698 3.455 1.00 53.12 C ATOM 1400 CG ARG A 98 -2.331 17.510 4.504 1.00 50.11 C ATOM 1401 CD ARG A 98 -2.968 18.834 4.923 1.00 12.50 C ATOM 1402 NE ARG A 98 -4.131 18.607 5.787 1.00 34.30 N ATOM 1403 CZ ARG A 98 -4.168 18.350 7.097 1.00 1.14 C ATOM 1404 NH1 ARG A 98 -3.055 18.250 7.817 1.00 64.02 N ATOM 1405 NH2 ARG A 98 -5.356 18.182 7.660 1.00 71.01 N ATOM 0 H ARG A 98 -1.957 15.261 3.607 1.00 13.51 H new ATOM 0 HA ARG A 98 0.462 16.670 2.669 1.00 42.51 H new ATOM 0 HB2 ARG A 98 -0.679 18.605 3.669 1.00 53.12 H new ATOM 0 HB3 ARG A 98 -1.699 17.830 2.473 1.00 53.12 H new ATOM 0 HG2 ARG A 98 -3.102 16.847 4.111 1.00 50.11 H new ATOM 0 HG3 ARG A 98 -1.906 17.020 5.380 1.00 50.11 H new ATOM 0 HD2 ARG A 98 -2.234 19.445 5.448 1.00 12.50 H new ATOM 0 HD3 ARG A 98 -3.272 19.392 4.037 1.00 12.50 H new ATOM 0 HE ARG A 98 -5.038 18.652 5.323 1.00 34.30 H new ATOM 0 HH11 ARG A 98 -2.146 18.370 7.370 1.00 64.02 H new ATOM 0 HH12 ARG A 98 -3.110 18.053 8.816 1.00 64.02 H new ATOM 0 HH21 ARG A 98 -6.202 18.250 7.095 1.00 71.01 H new ATOM 0 HH22 ARG A 98 -5.424 17.984 8.658 1.00 71.01 H new ATOM 1416 N ASP A 99 0.127 15.377 5.569 1.00 21.20 N ATOM 1417 CA ASP A 99 0.707 15.062 6.877 1.00 11.23 C ATOM 1418 C ASP A 99 1.080 13.576 6.945 1.00 51.41 C ATOM 1419 O ASP A 99 0.794 12.889 7.930 1.00 70.33 O ATOM 1420 CB ASP A 99 -0.269 15.487 7.990 1.00 52.45 C ATOM 1421 CG ASP A 99 0.395 15.693 9.360 1.00 3.52 C ATOM 1422 OD1 ASP A 99 1.611 15.461 9.525 1.00 65.31 O ATOM 1423 OD2 ASP A 99 -0.329 16.137 10.290 1.00 72.14 O ATOM 0 H ASP A 99 -0.660 14.766 5.352 1.00 21.20 H new ATOM 0 HA ASP A 99 1.630 15.623 7.025 1.00 11.23 H new ATOM 0 HB2 ASP A 99 -0.761 16.413 7.693 1.00 52.45 H new ATOM 0 HB3 ASP A 99 -1.047 14.730 8.085 1.00 52.45 H new ATOM 1427 N GLY A 100 1.675 13.064 5.860 1.00 2.11 N ATOM 1428 CA GLY A 100 2.302 11.749 5.775 1.00 61.33 C ATOM 1429 C GLY A 100 1.417 10.588 6.230 1.00 71.22 C ATOM 1430 O GLY A 100 1.924 9.658 6.860 1.00 12.21 O ATOM 0 H GLY A 100 1.732 13.581 4.983 1.00 2.11 H new ATOM 0 HA2 GLY A 100 2.607 11.573 4.743 1.00 61.33 H new ATOM 0 HA3 GLY A 100 3.209 11.755 6.379 1.00 61.33 H new ATOM 1434 N ARG A 101 0.104 10.639 5.976 1.00 24.30 N ATOM 1435 CA ARG A 101 -0.818 9.601 6.444 1.00 50.55 C ATOM 1436 C ARG A 101 -0.557 8.271 5.752 1.00 43.53 C ATOM 1437 O ARG A 101 0.058 8.217 4.693 1.00 5.22 O ATOM 1438 CB ARG A 101 -2.274 10.026 6.219 1.00 13.54 C ATOM 1439 CG ARG A 101 -2.654 11.168 7.159 1.00 63.13 C ATOM 1440 CD ARG A 101 -4.165 11.419 7.092 1.00 73.24 C ATOM 1441 NE ARG A 101 -4.526 12.750 7.611 1.00 43.34 N ATOM 1442 CZ ARG A 101 -4.082 13.291 8.749 1.00 3.21 C ATOM 1443 NH1 ARG A 101 -3.716 12.528 9.772 1.00 45.12 N ATOM 1444 NH2 ARG A 101 -4.002 14.609 8.878 1.00 10.31 N ATOM 0 H ARG A 101 -0.343 11.389 5.449 1.00 24.30 H new ATOM 0 HA ARG A 101 -0.645 9.471 7.512 1.00 50.55 H new ATOM 0 HB2 ARG A 101 -2.411 10.339 5.184 1.00 13.54 H new ATOM 0 HB3 ARG A 101 -2.936 9.176 6.385 1.00 13.54 H new ATOM 0 HG2 ARG A 101 -2.362 10.922 8.180 1.00 63.13 H new ATOM 0 HG3 ARG A 101 -2.114 12.073 6.882 1.00 63.13 H new ATOM 0 HD2 ARG A 101 -4.502 11.329 6.059 1.00 73.24 H new ATOM 0 HD3 ARG A 101 -4.686 10.652 7.666 1.00 73.24 H new ATOM 0 HE ARG A 101 -5.172 13.308 7.052 1.00 43.34 H new ATOM 0 HH11 ARG A 101 -3.772 11.512 9.696 1.00 45.12 H new ATOM 0 HH12 ARG A 101 -3.379 12.957 10.634 1.00 45.12 H new ATOM 0 HH21 ARG A 101 -4.280 15.215 8.106 1.00 10.31 H new ATOM 0 HH22 ARG A 101 -3.662 15.016 9.749 1.00 10.31 H new ATOM 1455 N HIS A 102 -1.100 7.197 6.327 1.00 73.43 N ATOM 1456 CA HIS A 102 -1.034 5.857 5.751 1.00 74.31 C ATOM 1457 C HIS A 102 -2.337 5.081 5.897 1.00 51.33 C ATOM 1458 O HIS A 102 -2.495 4.090 5.201 1.00 30.03 O ATOM 1459 CB HIS A 102 0.124 5.068 6.379 1.00 45.44 C ATOM 1460 CG HIS A 102 0.133 5.069 7.890 1.00 13.43 C ATOM 1461 ND1 HIS A 102 -0.582 4.248 8.740 1.00 42.23 N ATOM 1462 CD2 HIS A 102 0.898 5.902 8.656 1.00 73.34 C ATOM 1463 CE1 HIS A 102 -0.251 4.584 9.999 1.00 65.03 C ATOM 1464 NE2 HIS A 102 0.660 5.576 10.003 1.00 22.33 N ATOM 0 H HIS A 102 -1.602 7.235 7.214 1.00 73.43 H new ATOM 0 HA HIS A 102 -0.860 5.982 4.682 1.00 74.31 H new ATOM 0 HB2 HIS A 102 0.077 4.037 6.029 1.00 45.44 H new ATOM 0 HB3 HIS A 102 1.066 5.483 6.022 1.00 45.44 H new ATOM 0 HD2 HIS A 102 1.564 6.671 8.293 1.00 73.34 H new ATOM 0 HE1 HIS A 102 -0.660 4.122 10.886 1.00 65.03 H new ATOM 0 HE2 HIS A 102 1.092 6.006 10.821 1.00 22.33 H new ATOM 1471 N PHE A 103 -3.253 5.471 6.790 1.00 12.22 N ATOM 1472 CA PHE A 103 -4.573 4.874 7.036 1.00 1.44 C ATOM 1473 C PHE A 103 -4.602 3.355 7.335 1.00 24.10 C ATOM 1474 O PHE A 103 -5.675 2.811 7.613 1.00 65.42 O ATOM 1475 CB PHE A 103 -5.545 5.346 5.943 1.00 2.10 C ATOM 1476 CG PHE A 103 -5.955 6.804 6.070 1.00 34.04 C ATOM 1477 CD1 PHE A 103 -6.987 7.159 6.959 1.00 70.12 C ATOM 1478 CD2 PHE A 103 -5.336 7.806 5.294 1.00 54.13 C ATOM 1479 CE1 PHE A 103 -7.418 8.493 7.051 1.00 43.34 C ATOM 1480 CE2 PHE A 103 -5.788 9.134 5.364 1.00 50.41 C ATOM 1481 CZ PHE A 103 -6.826 9.481 6.249 1.00 24.30 C ATOM 0 H PHE A 103 -3.081 6.268 7.403 1.00 12.22 H new ATOM 0 HA PHE A 103 -4.920 5.250 7.999 1.00 1.44 H new ATOM 0 HB2 PHE A 103 -5.082 5.193 4.968 1.00 2.10 H new ATOM 0 HB3 PHE A 103 -6.439 4.724 5.973 1.00 2.10 H new ATOM 0 HD1 PHE A 103 -7.450 6.402 7.574 1.00 70.12 H new ATOM 0 HD2 PHE A 103 -4.512 7.551 4.644 1.00 54.13 H new ATOM 0 HE1 PHE A 103 -8.206 8.759 7.740 1.00 43.34 H new ATOM 0 HE2 PHE A 103 -5.338 9.890 4.738 1.00 50.41 H new ATOM 0 HZ PHE A 103 -7.166 10.504 6.311 1.00 24.30 H new ATOM 1490 N LEU A 104 -3.449 2.674 7.368 1.00 1.20 N ATOM 1491 CA LEU A 104 -3.307 1.251 7.679 1.00 73.11 C ATOM 1492 C LEU A 104 -3.745 0.954 9.109 1.00 22.11 C ATOM 1493 O LEU A 104 -3.386 1.685 10.036 1.00 42.35 O ATOM 1494 CB LEU A 104 -1.843 0.780 7.533 1.00 22.32 C ATOM 1495 CG LEU A 104 -1.226 0.982 6.142 1.00 12.33 C ATOM 1496 CD1 LEU A 104 0.274 0.680 6.174 1.00 51.34 C ATOM 1497 CD2 LEU A 104 -1.959 0.122 5.114 1.00 32.00 C ATOM 0 H LEU A 104 -2.554 3.121 7.170 1.00 1.20 H new ATOM 0 HA LEU A 104 -3.941 0.719 6.969 1.00 73.11 H new ATOM 0 HB2 LEU A 104 -1.233 1.311 8.264 1.00 22.32 H new ATOM 0 HB3 LEU A 104 -1.792 -0.279 7.785 1.00 22.32 H new ATOM 0 HG LEU A 104 -1.341 2.024 5.845 1.00 12.33 H new ATOM 0 HD11 LEU A 104 0.696 0.828 5.180 1.00 51.34 H new ATOM 0 HD12 LEU A 104 0.765 1.350 6.880 1.00 51.34 H new ATOM 0 HD13 LEU A 104 0.431 -0.353 6.485 1.00 51.34 H new ATOM 0 HD21 LEU A 104 -1.514 0.272 4.130 1.00 32.00 H new ATOM 0 HD22 LEU A 104 -1.876 -0.928 5.393 1.00 32.00 H new ATOM 0 HD23 LEU A 104 -3.010 0.408 5.084 1.00 32.00 H new ATOM 1508 N THR A 105 -4.428 -0.172 9.299 1.00 62.41 N ATOM 1509 CA THR A 105 -4.764 -0.724 10.607 1.00 34.01 C ATOM 1510 C THR A 105 -3.662 -1.671 11.128 1.00 22.43 C ATOM 1511 O THR A 105 -3.734 -2.119 12.269 1.00 33.11 O ATOM 1512 CB THR A 105 -6.149 -1.400 10.486 1.00 30.21 C ATOM 1513 OG1 THR A 105 -6.799 -1.456 11.735 1.00 73.32 O ATOM 1514 CG2 THR A 105 -6.125 -2.813 9.891 1.00 11.50 C ATOM 0 H THR A 105 -4.772 -0.741 8.525 1.00 62.41 H new ATOM 0 HA THR A 105 -4.821 0.066 11.356 1.00 34.01 H new ATOM 0 HB THR A 105 -6.694 -0.765 9.788 1.00 30.21 H new ATOM 0 HG1 THR A 105 -7.673 -1.887 11.630 1.00 73.32 H new ATOM 0 HG21 THR A 105 -7.141 -3.206 9.845 1.00 11.50 H new ATOM 0 HG22 THR A 105 -5.704 -2.778 8.886 1.00 11.50 H new ATOM 0 HG23 THR A 105 -5.513 -3.461 10.518 1.00 11.50 H new ATOM 1522 N GLU A 106 -2.658 -1.997 10.311 1.00 5.31 N ATOM 1523 CA GLU A 106 -1.726 -3.116 10.496 1.00 45.33 C ATOM 1524 C GLU A 106 -0.362 -2.648 11.036 1.00 45.25 C ATOM 1525 O GLU A 106 -0.085 -1.442 10.988 1.00 5.53 O ATOM 1526 CB GLU A 106 -1.563 -3.785 9.123 1.00 14.10 C ATOM 1527 CG GLU A 106 -2.780 -4.654 8.766 1.00 42.14 C ATOM 1528 CD GLU A 106 -2.958 -4.789 7.257 1.00 13.40 C ATOM 1529 OE1 GLU A 106 -3.017 -3.746 6.569 1.00 10.40 O ATOM 1530 OE2 GLU A 106 -3.094 -5.924 6.751 1.00 4.13 O ATOM 0 H GLU A 106 -2.462 -1.465 9.463 1.00 5.31 H new ATOM 0 HA GLU A 106 -2.121 -3.813 11.235 1.00 45.33 H new ATOM 0 HB2 GLU A 106 -1.426 -3.020 8.359 1.00 14.10 H new ATOM 0 HB3 GLU A 106 -0.664 -4.401 9.123 1.00 14.10 H new ATOM 0 HG2 GLU A 106 -2.662 -5.643 9.208 1.00 42.14 H new ATOM 0 HG3 GLU A 106 -3.679 -4.216 9.200 1.00 42.14 H new ATOM 1535 N PRO A 107 0.483 -3.577 11.536 1.00 24.01 N ATOM 1536 CA PRO A 107 1.856 -3.292 11.938 1.00 33.13 C ATOM 1537 C PRO A 107 2.759 -3.054 10.723 1.00 12.24 C ATOM 1538 O PRO A 107 2.461 -3.476 9.600 1.00 43.52 O ATOM 1539 CB PRO A 107 2.318 -4.521 12.726 1.00 14.43 C ATOM 1540 CG PRO A 107 1.519 -5.660 12.100 1.00 10.30 C ATOM 1541 CD PRO A 107 0.188 -4.989 11.768 1.00 2.44 C ATOM 0 HA PRO A 107 1.910 -2.382 12.536 1.00 33.13 H new ATOM 0 HB2 PRO A 107 3.392 -4.681 12.628 1.00 14.43 H new ATOM 0 HB3 PRO A 107 2.107 -4.419 13.790 1.00 14.43 H new ATOM 0 HG2 PRO A 107 2.007 -6.056 11.209 1.00 10.30 H new ATOM 0 HG3 PRO A 107 1.392 -6.494 12.791 1.00 10.30 H new ATOM 0 HD2 PRO A 107 -0.265 -5.441 10.886 1.00 2.44 H new ATOM 0 HD3 PRO A 107 -0.522 -5.108 12.587 1.00 2.44 H new ATOM 1546 N VAL A 108 3.892 -2.399 10.968 1.00 32.40 N ATOM 1547 CA VAL A 108 4.764 -1.849 9.942 1.00 31.13 C ATOM 1548 C VAL A 108 6.221 -2.096 10.364 1.00 41.24 C ATOM 1549 O VAL A 108 6.506 -2.303 11.547 1.00 21.34 O ATOM 1550 CB VAL A 108 4.422 -0.345 9.762 1.00 61.44 C ATOM 1551 CG1 VAL A 108 5.136 0.267 8.554 1.00 2.23 C ATOM 1552 CG2 VAL A 108 2.913 -0.082 9.570 1.00 72.03 C ATOM 0 H VAL A 108 4.235 -2.234 11.914 1.00 32.40 H new ATOM 0 HA VAL A 108 4.620 -2.330 8.975 1.00 31.13 H new ATOM 0 HB VAL A 108 4.760 0.118 10.689 1.00 61.44 H new ATOM 0 HG11 VAL A 108 4.867 1.320 8.467 1.00 2.23 H new ATOM 0 HG12 VAL A 108 6.214 0.178 8.685 1.00 2.23 H new ATOM 0 HG13 VAL A 108 4.836 -0.260 7.648 1.00 2.23 H new ATOM 0 HG21 VAL A 108 2.743 0.988 9.450 1.00 72.03 H new ATOM 0 HG22 VAL A 108 2.562 -0.607 8.682 1.00 72.03 H new ATOM 0 HG23 VAL A 108 2.367 -0.441 10.443 1.00 72.03 H new ATOM 1562 N GLU A 109 7.137 -2.076 9.401 1.00 31.41 N ATOM 1563 CA GLU A 109 8.568 -2.256 9.536 1.00 1.45 C ATOM 1564 C GLU A 109 9.355 -1.073 8.956 1.00 43.12 C ATOM 1565 O GLU A 109 8.803 -0.082 8.462 1.00 30.44 O ATOM 1566 CB GLU A 109 8.949 -3.577 8.842 1.00 24.35 C ATOM 1567 CG GLU A 109 9.165 -4.709 9.838 1.00 14.32 C ATOM 1568 CD GLU A 109 10.278 -5.692 9.447 1.00 31.14 C ATOM 1569 OE1 GLU A 109 10.752 -5.705 8.287 1.00 10.32 O ATOM 1570 OE2 GLU A 109 10.720 -6.441 10.354 1.00 22.45 O ATOM 0 H GLU A 109 6.870 -1.920 8.429 1.00 31.41 H new ATOM 0 HA GLU A 109 8.829 -2.299 10.593 1.00 1.45 H new ATOM 0 HB2 GLU A 109 8.163 -3.857 8.141 1.00 24.35 H new ATOM 0 HB3 GLU A 109 9.858 -3.430 8.259 1.00 24.35 H new ATOM 0 HG2 GLU A 109 9.401 -4.280 10.812 1.00 14.32 H new ATOM 0 HG3 GLU A 109 8.232 -5.261 9.950 1.00 14.32 H new ATOM 1575 N SER A 110 10.677 -1.176 9.060 1.00 21.24 N ATOM 1576 CA SER A 110 11.673 -0.175 8.706 1.00 5.42 C ATOM 1577 C SER A 110 12.657 -0.828 7.735 1.00 64.31 C ATOM 1578 O SER A 110 12.746 -2.078 7.750 1.00 73.21 O ATOM 1579 CB SER A 110 12.315 0.319 10.019 1.00 64.23 C ATOM 1580 OG SER A 110 12.688 1.688 9.952 1.00 63.11 O ATOM 0 H SER A 110 11.110 -2.026 9.421 1.00 21.24 H new ATOM 0 HA SER A 110 11.260 0.698 8.201 1.00 5.42 H new ATOM 0 HB2 SER A 110 11.614 0.175 10.841 1.00 64.23 H new ATOM 0 HB3 SER A 110 13.195 -0.285 10.241 1.00 64.23 H new ATOM 0 HG SER A 110 13.089 1.960 10.804 1.00 63.11 H new