USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=22 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 Set 1.1: A 45 HIS : no HD1:sc=-0.000903 X(o=-0.0009,f=-0.0009) USER MOD Set 1.2: A 46 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 16 HIS :FLIP no HD1:sc= -6.71! C(o=-11!,f=-10!) USER MOD Set 2.2: A 98 GLN : amide:sc= -3.61! C(o=-10!,f=-15!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc=-0.00601 X(o=-0.006,f=-0.21) USER MOD Single : A 38 MET CE :methyl -128:sc= -2.51! (180deg=-8.01!) USER MOD Single : A 39 TYR OH : rot 179:sc= -0.128 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= -0.464 USER MOD Single : A 51 LYS NZ :NH3+ 152:sc= -0.215 (180deg=-0.878) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 36:sc= 0.4 USER MOD Single : A 69 ASN : amide:sc= -0.569 X(o=-0.57,f=-0.18) USER MOD Single : A 71 CYS SG : rot -86:sc= -1.56! USER MOD Single : A 76 SER OG : rot -77:sc= -4.1! USER MOD Single : A 77 TYR OH : rot 180:sc= 0.0147 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -3.73! C(o=-3.7!,f=-6.1!) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.564 USER MOD Single : A 90 THR OG1 : rot -70:sc= 2 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot -76:sc= 0.992 USER MOD Single : A 95 CYS SG : rot 91:sc= 0.289 USER MOD Single : A 105 MET CE :methyl 167:sc= -0.315 (180deg=-0.62) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 77:sc= 0.121 USER MOD Single : A 113 GLN : amide:sc= -0.139 K(o=-0.14,f=-2!) USER MOD Single : A 115 SER OG : rot -162:sc= 0.739 USER MOD Single : A 116 SER OG : rot -160:sc= 0.165 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 78 N ALA A 9 -5.273 -12.712 -5.693 1.00 0.00 N ATOM 79 CA ALA A 9 -4.911 -11.366 -5.267 1.00 0.00 C ATOM 80 C ALA A 9 -6.115 -10.432 -5.317 1.00 0.00 C ATOM 81 O ALA A 9 -6.628 -10.122 -6.391 1.00 0.00 O ATOM 82 CB ALA A 9 -3.784 -10.823 -6.134 1.00 0.00 C ATOM 0 HA ALA A 9 -4.567 -11.419 -4.234 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.524 -9.817 -5.805 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.912 -11.471 -6.045 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.108 -10.792 -7.174 1.00 0.00 H new ATOM 88 N ALA A 10 -6.562 -9.988 -4.146 1.00 0.00 N ATOM 89 CA ALA A 10 -7.706 -9.089 -4.057 1.00 0.00 C ATOM 90 C ALA A 10 -7.583 -7.944 -5.057 1.00 0.00 C ATOM 91 O ALA A 10 -8.527 -7.639 -5.787 1.00 0.00 O ATOM 92 CB ALA A 10 -7.840 -8.544 -2.642 1.00 0.00 C ATOM 0 H ALA A 10 -6.149 -10.236 -3.247 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.603 -9.657 -4.303 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.698 -7.874 -2.590 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.982 -9.370 -1.946 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.936 -7.997 -2.376 1.00 0.00 H new ATOM 98 N LYS A 11 -6.415 -7.312 -5.085 1.00 0.00 N ATOM 99 CA LYS A 11 -6.168 -6.200 -5.996 1.00 0.00 C ATOM 100 C LYS A 11 -4.683 -6.087 -6.327 1.00 0.00 C ATOM 101 O LYS A 11 -3.843 -6.690 -5.660 1.00 0.00 O ATOM 102 CB LYS A 11 -6.665 -4.890 -5.381 1.00 0.00 C ATOM 103 CG LYS A 11 -6.615 -3.711 -6.337 1.00 0.00 C ATOM 104 CD LYS A 11 -7.706 -2.699 -6.033 1.00 0.00 C ATOM 105 CE LYS A 11 -7.537 -1.432 -6.857 1.00 0.00 C ATOM 106 NZ LYS A 11 -7.822 -1.665 -8.300 1.00 0.00 N ATOM 0 H LYS A 11 -5.624 -7.551 -4.487 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.715 -6.391 -6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.691 -5.026 -5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.063 -4.660 -4.502 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.640 -3.228 -6.269 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.723 -4.067 -7.361 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.681 -3.141 -6.239 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.687 -2.449 -4.972 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.204 -0.659 -6.475 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.519 -1.059 -6.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.695 -0.777 -8.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.169 -2.384 -8.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.801 -1.997 -8.411 1.00 0.00 H new ATOM 120 N GLU A 12 -4.369 -5.311 -7.359 1.00 0.00 N ATOM 121 CA GLU A 12 -2.985 -5.120 -7.776 1.00 0.00 C ATOM 122 C GLU A 12 -2.857 -3.912 -8.701 1.00 0.00 C ATOM 123 O GLU A 12 -3.784 -3.580 -9.438 1.00 0.00 O ATOM 124 CB GLU A 12 -2.464 -6.374 -8.483 1.00 0.00 C ATOM 125 CG GLU A 12 -3.083 -6.602 -9.851 1.00 0.00 C ATOM 126 CD GLU A 12 -2.880 -8.019 -10.353 1.00 0.00 C ATOM 127 OE1 GLU A 12 -1.768 -8.558 -10.178 1.00 0.00 O ATOM 128 OE2 GLU A 12 -3.836 -8.588 -10.922 1.00 0.00 O ATOM 0 H GLU A 12 -5.053 -4.805 -7.921 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.386 -4.939 -6.884 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.382 -6.297 -8.591 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.660 -7.243 -7.855 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.150 -6.387 -9.803 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.648 -5.902 -10.564 1.00 0.00 H new ATOM 135 N GLY A 13 -1.700 -3.258 -8.654 1.00 0.00 N ATOM 136 CA GLY A 13 -1.472 -2.094 -9.490 1.00 0.00 C ATOM 137 C GLY A 13 -0.295 -1.263 -9.018 1.00 0.00 C ATOM 138 O GLY A 13 0.086 -1.323 -7.849 1.00 0.00 O ATOM 0 H GLY A 13 -0.917 -3.514 -8.052 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.297 -2.416 -10.516 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.369 -1.475 -9.499 1.00 0.00 H new ATOM 142 N TRP A 14 0.282 -0.488 -9.928 1.00 0.00 N ATOM 143 CA TRP A 14 1.424 0.358 -9.599 1.00 0.00 C ATOM 144 C TRP A 14 1.014 1.480 -8.652 1.00 0.00 C ATOM 145 O TRP A 14 0.024 2.174 -8.887 1.00 0.00 O ATOM 146 CB TRP A 14 2.034 0.945 -10.872 1.00 0.00 C ATOM 147 CG TRP A 14 2.650 -0.087 -11.767 1.00 0.00 C ATOM 148 CD1 TRP A 14 2.005 -0.862 -12.689 1.00 0.00 C ATOM 149 CD2 TRP A 14 4.031 -0.459 -11.823 1.00 0.00 C ATOM 150 NE1 TRP A 14 2.903 -1.693 -13.315 1.00 0.00 N ATOM 151 CE2 TRP A 14 4.153 -1.464 -12.802 1.00 0.00 C ATOM 152 CE3 TRP A 14 5.177 -0.039 -11.143 1.00 0.00 C ATOM 153 CZ2 TRP A 14 5.374 -2.055 -13.115 1.00 0.00 C ATOM 154 CZ3 TRP A 14 6.389 -0.626 -11.454 1.00 0.00 C ATOM 155 CH2 TRP A 14 6.480 -1.624 -12.433 1.00 0.00 C ATOM 0 H TRP A 14 -0.022 -0.427 -10.900 1.00 0.00 H new ATOM 0 HA TRP A 14 2.170 -0.260 -9.099 1.00 0.00 H new ATOM 0 HB2 TRP A 14 1.260 1.479 -11.424 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.793 1.678 -10.598 1.00 0.00 H new ATOM 0 HD1 TRP A 14 0.946 -0.827 -12.895 1.00 0.00 H new ATOM 0 HE1 TRP A 14 2.676 -2.370 -14.043 1.00 0.00 H new ATOM 0 HE3 TRP A 14 5.117 0.731 -10.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 5.446 -2.825 -13.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 7.281 -0.310 -10.934 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.442 -2.062 -12.654 1.00 0.00 H new ATOM 166 N LEU A 15 1.782 1.655 -7.581 1.00 0.00 N ATOM 167 CA LEU A 15 1.498 2.695 -6.598 1.00 0.00 C ATOM 168 C LEU A 15 2.779 3.156 -5.910 1.00 0.00 C ATOM 169 O LEU A 15 3.751 2.406 -5.816 1.00 0.00 O ATOM 170 CB LEU A 15 0.502 2.182 -5.557 1.00 0.00 C ATOM 171 CG LEU A 15 -0.776 1.547 -6.106 1.00 0.00 C ATOM 172 CD1 LEU A 15 -1.562 0.878 -4.989 1.00 0.00 C ATOM 173 CD2 LEU A 15 -1.629 2.590 -6.812 1.00 0.00 C ATOM 0 H LEU A 15 2.605 1.090 -7.372 1.00 0.00 H new ATOM 0 HA LEU A 15 1.061 3.546 -7.120 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.008 1.448 -4.930 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.222 3.014 -4.911 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.497 0.784 -6.833 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.468 0.432 -5.399 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.951 0.101 -4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.831 1.621 -4.238 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.534 2.120 -7.196 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.899 3.376 -6.107 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.065 3.022 -7.639 1.00 0.00 H new ATOM 185 N HIS A 16 2.772 4.395 -5.428 1.00 0.00 N ATOM 186 CA HIS A 16 3.932 4.956 -4.744 1.00 0.00 C ATOM 187 C HIS A 16 3.882 4.652 -3.250 1.00 0.00 C ATOM 188 O HIS A 16 3.068 5.215 -2.518 1.00 0.00 O ATOM 189 CB HIS A 16 4.000 6.467 -4.967 1.00 0.00 C ATOM 190 CG HIS A 16 4.069 6.858 -6.411 1.00 0.00 C ATOM 191 ND1 HIS A 16 3.087 7.092 -7.313 1.00 0.00 N flip ATOM 192 CD2 HIS A 16 5.257 7.047 -7.084 1.00 0.00 C flip ATOM 193 CE1 HIS A 16 3.694 7.417 -8.501 1.00 0.00 C flip ATOM 194 NE2 HIS A 16 5.004 7.384 -8.336 1.00 0.00 N flip ATOM 0 H HIS A 16 1.976 5.029 -5.498 1.00 0.00 H new ATOM 0 HA HIS A 16 4.827 4.494 -5.161 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.124 6.932 -4.515 1.00 0.00 H new ATOM 0 HB3 HIS A 16 4.874 6.863 -4.450 1.00 0.00 H new ATOM 0 HD2 HIS A 16 6.242 6.937 -6.654 1.00 0.00 H new ATOM 0 HE1 HIS A 16 3.183 7.660 -9.421 1.00 0.00 H new ATOM 0 HE2 HIS A 16 5.701 7.584 -9.053 1.00 0.00 H new ATOM 203 N PHE A 17 4.758 3.757 -2.804 1.00 0.00 N ATOM 204 CA PHE A 17 4.813 3.376 -1.398 1.00 0.00 C ATOM 205 C PHE A 17 5.863 4.195 -0.653 1.00 0.00 C ATOM 206 O PHE A 17 7.058 4.093 -0.932 1.00 0.00 O ATOM 207 CB PHE A 17 5.123 1.884 -1.263 1.00 0.00 C ATOM 208 CG PHE A 17 5.772 1.522 0.043 1.00 0.00 C ATOM 209 CD1 PHE A 17 5.014 1.391 1.195 1.00 0.00 C ATOM 210 CD2 PHE A 17 7.139 1.314 0.117 1.00 0.00 C ATOM 211 CE1 PHE A 17 5.608 1.058 2.398 1.00 0.00 C ATOM 212 CE2 PHE A 17 7.738 0.980 1.317 1.00 0.00 C ATOM 213 CZ PHE A 17 6.972 0.853 2.459 1.00 0.00 C ATOM 0 H PHE A 17 5.439 3.282 -3.396 1.00 0.00 H new ATOM 0 HA PHE A 17 3.838 3.578 -0.955 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.198 1.318 -1.369 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.777 1.582 -2.081 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.947 1.551 1.153 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.744 1.414 -0.772 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.006 0.958 3.289 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.805 0.818 1.362 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.439 0.594 3.398 1.00 0.00 H new ATOM 223 N ARG A 18 5.408 5.008 0.295 1.00 0.00 N ATOM 224 CA ARG A 18 6.308 5.846 1.079 1.00 0.00 C ATOM 225 C ARG A 18 6.098 5.619 2.573 1.00 0.00 C ATOM 226 O ARG A 18 5.202 6.192 3.193 1.00 0.00 O ATOM 227 CB ARG A 18 6.089 7.322 0.741 1.00 0.00 C ATOM 228 CG ARG A 18 7.182 8.236 1.268 1.00 0.00 C ATOM 229 CD ARG A 18 6.811 9.701 1.102 1.00 0.00 C ATOM 230 NE ARG A 18 6.053 10.207 2.243 1.00 0.00 N ATOM 231 CZ ARG A 18 5.832 11.498 2.465 1.00 0.00 C ATOM 232 NH1 ARG A 18 6.309 12.409 1.628 1.00 0.00 N ATOM 233 NH2 ARG A 18 5.133 11.880 3.526 1.00 0.00 N ATOM 0 H ARG A 18 4.422 5.104 0.539 1.00 0.00 H new ATOM 0 HA ARG A 18 7.332 5.571 0.827 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.025 7.432 -0.342 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.131 7.642 1.151 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.360 8.022 2.322 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.114 8.033 0.740 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.718 10.293 0.978 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.223 9.825 0.193 1.00 0.00 H new ATOM 0 HE ARG A 18 5.672 9.532 2.906 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.847 12.119 0.811 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.138 13.400 1.801 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.765 11.182 4.172 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.964 12.872 3.695 1.00 0.00 H new ATOM 247 N PRO A 19 6.944 4.763 3.166 1.00 0.00 N ATOM 248 CA PRO A 19 6.871 4.441 4.595 1.00 0.00 C ATOM 249 C PRO A 19 7.286 5.614 5.475 1.00 0.00 C ATOM 250 O PRO A 19 8.205 6.363 5.138 1.00 0.00 O ATOM 251 CB PRO A 19 7.860 3.282 4.747 1.00 0.00 C ATOM 252 CG PRO A 19 8.825 3.457 3.626 1.00 0.00 C ATOM 253 CD PRO A 19 8.036 4.045 2.489 1.00 0.00 C ATOM 0 HA PRO A 19 5.856 4.197 4.907 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.365 3.316 5.713 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.353 2.319 4.686 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.644 4.116 3.915 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.269 2.503 3.341 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.644 4.717 1.884 1.00 0.00 H new ATOM 0 HD3 PRO A 19 7.655 3.272 1.822 1.00 0.00 H new ATOM 261 N LEU A 20 6.605 5.770 6.605 1.00 0.00 N ATOM 262 CA LEU A 20 6.903 6.853 7.536 1.00 0.00 C ATOM 263 C LEU A 20 7.935 6.414 8.570 1.00 0.00 C ATOM 264 O LEU A 20 8.719 7.224 9.063 1.00 0.00 O ATOM 265 CB LEU A 20 5.625 7.316 8.238 1.00 0.00 C ATOM 266 CG LEU A 20 4.541 7.908 7.336 1.00 0.00 C ATOM 267 CD1 LEU A 20 3.248 8.102 8.113 1.00 0.00 C ATOM 268 CD2 LEU A 20 5.008 9.227 6.737 1.00 0.00 C ATOM 0 H LEU A 20 5.842 5.160 6.899 1.00 0.00 H new ATOM 0 HA LEU A 20 7.318 7.684 6.966 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.200 6.467 8.773 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.895 8.062 8.986 1.00 0.00 H new ATOM 0 HG LEU A 20 4.350 7.209 6.522 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.488 8.524 7.455 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.905 7.140 8.494 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.423 8.781 8.947 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.224 9.634 6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.227 9.933 7.538 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.908 9.060 6.145 1.00 0.00 H new ATOM 280 N VAL A 21 7.929 5.124 8.893 1.00 0.00 N ATOM 281 CA VAL A 21 8.866 4.576 9.866 1.00 0.00 C ATOM 282 C VAL A 21 8.740 3.059 9.956 1.00 0.00 C ATOM 283 O VAL A 21 7.638 2.512 9.916 1.00 0.00 O ATOM 284 CB VAL A 21 8.642 5.182 11.264 1.00 0.00 C ATOM 285 CG1 VAL A 21 7.490 4.485 11.970 1.00 0.00 C ATOM 286 CG2 VAL A 21 9.916 5.096 12.092 1.00 0.00 C ATOM 0 H VAL A 21 7.286 4.440 8.495 1.00 0.00 H new ATOM 0 HA VAL A 21 9.867 4.835 9.522 1.00 0.00 H new ATOM 0 HB VAL A 21 8.382 6.234 11.147 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.347 4.927 12.956 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.579 4.603 11.384 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.717 3.424 12.077 1.00 0.00 H new ATOM 0 HG21 VAL A 21 9.740 5.529 13.077 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.209 4.052 12.202 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.713 5.646 11.591 1.00 0.00 H new ATOM 495 N TRP A 35 9.060 9.103 -2.039 1.00 0.00 N ATOM 496 CA TRP A 35 8.168 7.984 -2.326 1.00 0.00 C ATOM 497 C TRP A 35 8.901 6.885 -3.088 1.00 0.00 C ATOM 498 O TRP A 35 10.020 7.085 -3.561 1.00 0.00 O ATOM 499 CB TRP A 35 6.960 8.462 -3.132 1.00 0.00 C ATOM 500 CG TRP A 35 6.174 9.536 -2.444 1.00 0.00 C ATOM 501 CD1 TRP A 35 6.524 10.850 -2.310 1.00 0.00 C ATOM 502 CD2 TRP A 35 4.906 9.389 -1.794 1.00 0.00 C ATOM 503 NE1 TRP A 35 5.551 11.528 -1.616 1.00 0.00 N ATOM 504 CE2 TRP A 35 4.547 10.654 -1.289 1.00 0.00 C ATOM 505 CE3 TRP A 35 4.039 8.312 -1.592 1.00 0.00 C ATOM 506 CZ2 TRP A 35 3.360 10.869 -0.595 1.00 0.00 C ATOM 507 CZ3 TRP A 35 2.861 8.527 -0.902 1.00 0.00 C ATOM 508 CH2 TRP A 35 2.530 9.797 -0.411 1.00 0.00 C ATOM 0 HA TRP A 35 7.823 7.574 -1.377 1.00 0.00 H new ATOM 0 HB2 TRP A 35 7.301 8.834 -4.098 1.00 0.00 H new ATOM 0 HB3 TRP A 35 6.306 7.613 -3.330 1.00 0.00 H new ATOM 0 HD1 TRP A 35 7.432 11.291 -2.693 1.00 0.00 H new ATOM 0 HE1 TRP A 35 5.572 12.521 -1.382 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.285 7.330 -1.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 3.103 11.847 -0.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.184 7.702 -0.738 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.601 9.932 0.123 1.00 0.00 H new ATOM 519 N LYS A 36 8.264 5.725 -3.202 1.00 0.00 N ATOM 520 CA LYS A 36 8.855 4.594 -3.908 1.00 0.00 C ATOM 521 C LYS A 36 7.838 3.945 -4.842 1.00 0.00 C ATOM 522 O LYS A 36 6.919 3.261 -4.393 1.00 0.00 O ATOM 523 CB LYS A 36 9.379 3.560 -2.909 1.00 0.00 C ATOM 524 CG LYS A 36 10.491 4.085 -2.018 1.00 0.00 C ATOM 525 CD LYS A 36 11.860 3.841 -2.631 1.00 0.00 C ATOM 526 CE LYS A 36 12.856 4.912 -2.215 1.00 0.00 C ATOM 527 NZ LYS A 36 14.235 4.597 -2.679 1.00 0.00 N ATOM 0 H LYS A 36 7.338 5.543 -2.815 1.00 0.00 H new ATOM 0 HA LYS A 36 9.687 4.965 -4.506 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.553 3.220 -2.284 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.743 2.690 -3.456 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.351 5.153 -1.852 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.436 3.601 -1.043 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.228 2.862 -2.324 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.775 3.824 -3.718 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.546 5.874 -2.623 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.852 5.010 -1.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.884 5.351 -2.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.541 3.691 -2.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.245 4.529 -3.717 1.00 0.00 H new ATOM 541 N GLN A 37 8.012 4.162 -6.142 1.00 0.00 N ATOM 542 CA GLN A 37 7.110 3.597 -7.138 1.00 0.00 C ATOM 543 C GLN A 37 7.441 2.132 -7.403 1.00 0.00 C ATOM 544 O GLN A 37 8.366 1.821 -8.153 1.00 0.00 O ATOM 545 CB GLN A 37 7.190 4.394 -8.440 1.00 0.00 C ATOM 546 CG GLN A 37 6.046 4.108 -9.400 1.00 0.00 C ATOM 547 CD GLN A 37 6.018 5.064 -10.576 1.00 0.00 C ATOM 548 OE1 GLN A 37 7.063 5.471 -11.085 1.00 0.00 O ATOM 549 NE2 GLN A 37 4.819 5.429 -11.015 1.00 0.00 N ATOM 0 H GLN A 37 8.769 4.725 -6.530 1.00 0.00 H new ATOM 0 HA GLN A 37 6.094 3.656 -6.747 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.198 5.458 -8.205 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.134 4.170 -8.936 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.134 3.086 -9.769 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.100 4.172 -8.862 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.979 5.067 -10.564 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.738 6.071 -11.804 1.00 0.00 H new ATOM 558 N MET A 38 6.680 1.236 -6.784 1.00 0.00 N ATOM 559 CA MET A 38 6.892 -0.196 -6.954 1.00 0.00 C ATOM 560 C MET A 38 5.563 -0.944 -6.982 1.00 0.00 C ATOM 561 O MET A 38 4.667 -0.666 -6.185 1.00 0.00 O ATOM 562 CB MET A 38 7.774 -0.741 -5.828 1.00 0.00 C ATOM 563 CG MET A 38 7.290 -0.357 -4.439 1.00 0.00 C ATOM 564 SD MET A 38 8.550 -0.603 -3.173 1.00 0.00 S ATOM 565 CE MET A 38 8.755 -2.381 -3.241 1.00 0.00 C ATOM 0 H MET A 38 5.910 1.477 -6.160 1.00 0.00 H new ATOM 0 HA MET A 38 7.396 -0.352 -7.908 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.814 -1.828 -5.903 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.791 -0.374 -5.964 1.00 0.00 H new ATOM 0 HG2 MET A 38 6.982 0.689 -4.442 1.00 0.00 H new ATOM 0 HG3 MET A 38 6.409 -0.948 -4.189 1.00 0.00 H new ATOM 0 HE1 MET A 38 8.654 -2.798 -2.239 1.00 0.00 H new ATOM 0 HE2 MET A 38 7.993 -2.811 -3.891 1.00 0.00 H new ATOM 0 HE3 MET A 38 9.743 -2.619 -3.635 1.00 0.00 H new ATOM 575 N TYR A 39 5.442 -1.893 -7.904 1.00 0.00 N ATOM 576 CA TYR A 39 4.221 -2.678 -8.037 1.00 0.00 C ATOM 577 C TYR A 39 3.736 -3.165 -6.675 1.00 0.00 C ATOM 578 O TYR A 39 4.429 -3.915 -5.988 1.00 0.00 O ATOM 579 CB TYR A 39 4.456 -3.872 -8.964 1.00 0.00 C ATOM 580 CG TYR A 39 3.187 -4.425 -9.573 1.00 0.00 C ATOM 581 CD1 TYR A 39 2.540 -3.757 -10.605 1.00 0.00 C ATOM 582 CD2 TYR A 39 2.637 -5.616 -9.116 1.00 0.00 C ATOM 583 CE1 TYR A 39 1.380 -4.259 -11.163 1.00 0.00 C ATOM 584 CE2 TYR A 39 1.478 -6.126 -9.669 1.00 0.00 C ATOM 585 CZ TYR A 39 0.853 -5.444 -10.692 1.00 0.00 C ATOM 586 OH TYR A 39 -0.301 -5.947 -11.246 1.00 0.00 O ATOM 0 H TYR A 39 6.175 -2.137 -8.570 1.00 0.00 H new ATOM 0 HA TYR A 39 3.452 -2.037 -8.469 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.132 -3.572 -9.764 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.955 -4.663 -8.404 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.951 -2.830 -10.977 1.00 0.00 H new ATOM 0 HD2 TYR A 39 3.124 -6.152 -8.315 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.888 -3.727 -11.964 1.00 0.00 H new ATOM 0 HE2 TYR A 39 1.064 -7.054 -9.302 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.529 -6.796 -10.813 1.00 0.00 H new ATOM 596 N VAL A 40 2.538 -2.734 -6.292 1.00 0.00 N ATOM 597 CA VAL A 40 1.957 -3.127 -5.014 1.00 0.00 C ATOM 598 C VAL A 40 0.760 -4.048 -5.215 1.00 0.00 C ATOM 599 O VAL A 40 -0.229 -3.671 -5.843 1.00 0.00 O ATOM 600 CB VAL A 40 1.515 -1.898 -4.198 1.00 0.00 C ATOM 601 CG1 VAL A 40 0.733 -2.328 -2.966 1.00 0.00 C ATOM 602 CG2 VAL A 40 2.720 -1.055 -3.808 1.00 0.00 C ATOM 0 H VAL A 40 1.951 -2.113 -6.849 1.00 0.00 H new ATOM 0 HA VAL A 40 2.732 -3.660 -4.463 1.00 0.00 H new ATOM 0 HB VAL A 40 0.860 -1.288 -4.820 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.429 -1.446 -2.402 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.152 -2.885 -3.273 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.361 -2.961 -2.339 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.389 -0.191 -3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.403 -1.653 -3.204 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.233 -0.716 -4.708 1.00 0.00 H new ATOM 612 N VAL A 41 0.855 -5.260 -4.676 1.00 0.00 N ATOM 613 CA VAL A 41 -0.221 -6.236 -4.794 1.00 0.00 C ATOM 614 C VAL A 41 -0.841 -6.538 -3.434 1.00 0.00 C ATOM 615 O VAL A 41 -0.141 -6.611 -2.423 1.00 0.00 O ATOM 616 CB VAL A 41 0.280 -7.551 -5.421 1.00 0.00 C ATOM 617 CG1 VAL A 41 -0.840 -8.579 -5.471 1.00 0.00 C ATOM 618 CG2 VAL A 41 0.844 -7.296 -6.811 1.00 0.00 C ATOM 0 H VAL A 41 1.667 -5.589 -4.153 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.977 -5.797 -5.445 1.00 0.00 H new ATOM 0 HB VAL A 41 1.079 -7.951 -4.797 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.468 -9.501 -5.917 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.193 -8.782 -4.460 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.663 -8.192 -6.072 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.194 -8.235 -7.240 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.066 -6.874 -7.447 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.677 -6.596 -6.743 1.00 0.00 H new ATOM 628 N LEU A 42 -2.157 -6.713 -3.416 1.00 0.00 N ATOM 629 CA LEU A 42 -2.873 -7.009 -2.179 1.00 0.00 C ATOM 630 C LEU A 42 -3.355 -8.456 -2.161 1.00 0.00 C ATOM 631 O LEU A 42 -4.315 -8.809 -2.845 1.00 0.00 O ATOM 632 CB LEU A 42 -4.063 -6.061 -2.017 1.00 0.00 C ATOM 633 CG LEU A 42 -5.019 -6.375 -0.865 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.370 -6.050 0.471 1.00 0.00 C ATOM 635 CD2 LEU A 42 -6.321 -5.606 -1.029 1.00 0.00 C ATOM 0 H LEU A 42 -2.751 -6.655 -4.243 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.185 -6.865 -1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.680 -5.050 -1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.633 -6.063 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.245 -7.441 -0.885 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.065 -6.280 1.279 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.465 -6.646 0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.114 -4.991 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.989 -5.841 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.113 -4.536 -1.035 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.795 -5.889 -1.969 1.00 0.00 H new ATOM 647 N ARG A 43 -2.682 -9.288 -1.373 1.00 0.00 N ATOM 648 CA ARG A 43 -3.042 -10.696 -1.264 1.00 0.00 C ATOM 649 C ARG A 43 -3.544 -11.023 0.139 1.00 0.00 C ATOM 650 O ARG A 43 -2.762 -11.110 1.084 1.00 0.00 O ATOM 651 CB ARG A 43 -1.841 -11.580 -1.607 1.00 0.00 C ATOM 652 CG ARG A 43 -1.645 -11.790 -3.099 1.00 0.00 C ATOM 653 CD ARG A 43 -0.904 -13.086 -3.387 1.00 0.00 C ATOM 654 NE ARG A 43 -1.760 -14.256 -3.215 1.00 0.00 N ATOM 655 CZ ARG A 43 -1.472 -15.456 -3.707 1.00 0.00 C ATOM 656 NH1 ARG A 43 -0.355 -15.643 -4.396 1.00 0.00 N ATOM 657 NH2 ARG A 43 -2.302 -16.472 -3.508 1.00 0.00 N ATOM 0 H ARG A 43 -1.884 -9.011 -0.801 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.845 -10.895 -1.973 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.939 -11.131 -1.191 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.965 -12.550 -1.126 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.615 -11.806 -3.596 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.088 -10.951 -3.515 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.520 -13.065 -4.407 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.043 -13.166 -2.724 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.627 -14.146 -2.688 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.286 -14.864 -4.550 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.136 -16.565 -4.773 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.162 -16.332 -2.977 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.080 -17.393 -3.886 1.00 0.00 H new ATOM 671 N GLY A 44 -4.855 -11.202 0.267 1.00 0.00 N ATOM 672 CA GLY A 44 -5.439 -11.516 1.558 1.00 0.00 C ATOM 673 C GLY A 44 -5.422 -10.333 2.505 1.00 0.00 C ATOM 674 O GLY A 44 -6.238 -9.419 2.383 1.00 0.00 O ATOM 0 H GLY A 44 -5.523 -11.135 -0.501 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.467 -11.850 1.417 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.894 -12.346 2.008 1.00 0.00 H new ATOM 678 N HIS A 45 -4.492 -10.350 3.454 1.00 0.00 N ATOM 679 CA HIS A 45 -4.373 -9.270 4.428 1.00 0.00 C ATOM 680 C HIS A 45 -2.948 -8.725 4.463 1.00 0.00 C ATOM 681 O HIS A 45 -2.583 -7.972 5.366 1.00 0.00 O ATOM 682 CB HIS A 45 -4.778 -9.761 5.818 1.00 0.00 C ATOM 683 CG HIS A 45 -4.442 -11.200 6.066 1.00 0.00 C ATOM 684 ND1 HIS A 45 -5.398 -12.183 6.206 1.00 0.00 N ATOM 685 CD2 HIS A 45 -3.245 -11.820 6.198 1.00 0.00 C ATOM 686 CE1 HIS A 45 -4.805 -13.345 6.415 1.00 0.00 C ATOM 687 NE2 HIS A 45 -3.499 -13.152 6.414 1.00 0.00 N ATOM 0 H HIS A 45 -3.810 -11.099 3.570 1.00 0.00 H new ATOM 0 HA HIS A 45 -5.044 -8.466 4.126 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.284 -9.146 6.570 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.851 -9.620 5.946 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -2.272 -11.354 6.144 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.304 -14.292 6.562 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -2.793 -13.875 6.551 1.00 0.00 H new ATOM 696 N SER A 46 -2.147 -9.111 3.475 1.00 0.00 N ATOM 697 CA SER A 46 -0.761 -8.665 3.395 1.00 0.00 C ATOM 698 C SER A 46 -0.490 -7.968 2.065 1.00 0.00 C ATOM 699 O SER A 46 -0.962 -8.406 1.015 1.00 0.00 O ATOM 700 CB SER A 46 0.189 -9.851 3.566 1.00 0.00 C ATOM 701 OG SER A 46 -0.019 -10.497 4.810 1.00 0.00 O ATOM 0 H SER A 46 -2.434 -9.732 2.718 1.00 0.00 H new ATOM 0 HA SER A 46 -0.588 -7.951 4.200 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.038 -10.562 2.754 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.221 -9.507 3.500 1.00 0.00 H new ATOM 0 HG SER A 46 0.600 -11.253 4.894 1.00 0.00 H new ATOM 707 N LEU A 47 0.273 -6.882 2.118 1.00 0.00 N ATOM 708 CA LEU A 47 0.608 -6.123 0.918 1.00 0.00 C ATOM 709 C LEU A 47 2.016 -6.459 0.438 1.00 0.00 C ATOM 710 O LEU A 47 3.002 -6.142 1.104 1.00 0.00 O ATOM 711 CB LEU A 47 0.493 -4.623 1.191 1.00 0.00 C ATOM 712 CG LEU A 47 -0.875 -3.994 0.926 1.00 0.00 C ATOM 713 CD1 LEU A 47 -0.950 -2.601 1.531 1.00 0.00 C ATOM 714 CD2 LEU A 47 -1.158 -3.944 -0.569 1.00 0.00 C ATOM 0 H LEU A 47 0.671 -6.507 2.979 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.098 -6.398 0.134 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.757 -4.443 2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.233 -4.105 0.580 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.636 -4.614 1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.931 -2.170 1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.793 -2.663 2.608 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.180 -1.970 1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.136 -3.493 -0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.392 -3.347 -1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.149 -4.956 -0.975 1.00 0.00 H new ATOM 726 N TYR A 48 2.103 -7.098 -0.723 1.00 0.00 N ATOM 727 CA TYR A 48 3.391 -7.477 -1.293 1.00 0.00 C ATOM 728 C TYR A 48 3.822 -6.486 -2.370 1.00 0.00 C ATOM 729 O TYR A 48 3.182 -6.371 -3.417 1.00 0.00 O ATOM 730 CB TYR A 48 3.317 -8.887 -1.881 1.00 0.00 C ATOM 731 CG TYR A 48 2.916 -9.942 -0.875 1.00 0.00 C ATOM 732 CD1 TYR A 48 3.696 -10.193 0.247 1.00 0.00 C ATOM 733 CD2 TYR A 48 1.756 -10.688 -1.047 1.00 0.00 C ATOM 734 CE1 TYR A 48 3.333 -11.157 1.168 1.00 0.00 C ATOM 735 CE2 TYR A 48 1.385 -11.653 -0.131 1.00 0.00 C ATOM 736 CZ TYR A 48 2.177 -11.884 0.975 1.00 0.00 C ATOM 737 OH TYR A 48 1.812 -12.844 1.890 1.00 0.00 O ATOM 0 H TYR A 48 1.297 -7.365 -1.288 1.00 0.00 H new ATOM 0 HA TYR A 48 4.132 -7.463 -0.494 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.602 -8.891 -2.704 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.288 -9.148 -2.301 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.601 -9.625 0.402 1.00 0.00 H new ATOM 0 HD2 TYR A 48 1.134 -10.510 -1.912 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.951 -11.340 2.034 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.480 -12.223 -0.280 1.00 0.00 H new ATOM 0 HH TYR A 48 0.973 -13.263 1.607 1.00 0.00 H new ATOM 747 N LEU A 49 4.910 -5.772 -2.107 1.00 0.00 N ATOM 748 CA LEU A 49 5.430 -4.791 -3.053 1.00 0.00 C ATOM 749 C LEU A 49 6.553 -5.387 -3.894 1.00 0.00 C ATOM 750 O LEU A 49 7.246 -6.308 -3.460 1.00 0.00 O ATOM 751 CB LEU A 49 5.935 -3.554 -2.309 1.00 0.00 C ATOM 752 CG LEU A 49 4.914 -2.838 -1.424 1.00 0.00 C ATOM 753 CD1 LEU A 49 4.897 -3.445 -0.030 1.00 0.00 C ATOM 754 CD2 LEU A 49 5.218 -1.348 -1.356 1.00 0.00 C ATOM 0 H LEU A 49 5.450 -5.854 -1.246 1.00 0.00 H new ATOM 0 HA LEU A 49 4.618 -4.500 -3.720 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.781 -3.849 -1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.312 -2.842 -3.043 1.00 0.00 H new ATOM 0 HG LEU A 49 3.926 -2.967 -1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.165 -2.923 0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.630 -4.500 -0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.885 -3.348 0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.481 -0.855 -0.722 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.214 -1.199 -0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.177 -0.922 -2.359 1.00 0.00 H new ATOM 766 N TYR A 50 6.730 -4.855 -5.098 1.00 0.00 N ATOM 767 CA TYR A 50 7.770 -5.334 -6.001 1.00 0.00 C ATOM 768 C TYR A 50 8.319 -4.195 -6.853 1.00 0.00 C ATOM 769 O TYR A 50 7.587 -3.564 -7.616 1.00 0.00 O ATOM 770 CB TYR A 50 7.221 -6.441 -6.903 1.00 0.00 C ATOM 771 CG TYR A 50 6.533 -7.554 -6.145 1.00 0.00 C ATOM 772 CD1 TYR A 50 7.242 -8.363 -5.265 1.00 0.00 C ATOM 773 CD2 TYR A 50 5.175 -7.796 -6.308 1.00 0.00 C ATOM 774 CE1 TYR A 50 6.618 -9.382 -4.571 1.00 0.00 C ATOM 775 CE2 TYR A 50 4.542 -8.812 -5.617 1.00 0.00 C ATOM 776 CZ TYR A 50 5.268 -9.602 -4.750 1.00 0.00 C ATOM 777 OH TYR A 50 4.642 -10.615 -4.059 1.00 0.00 O ATOM 0 H TYR A 50 6.166 -4.091 -5.472 1.00 0.00 H new ATOM 0 HA TYR A 50 8.583 -5.736 -5.397 1.00 0.00 H new ATOM 0 HB2 TYR A 50 6.516 -6.005 -7.611 1.00 0.00 H new ATOM 0 HB3 TYR A 50 8.040 -6.862 -7.487 1.00 0.00 H new ATOM 0 HD1 TYR A 50 8.299 -8.192 -5.121 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.604 -7.180 -6.986 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.184 -10.003 -3.892 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.485 -8.986 -5.755 1.00 0.00 H new ATOM 0 HH TYR A 50 3.692 -10.635 -4.298 1.00 0.00 H new ATOM 787 N LYS A 51 9.615 -3.936 -6.718 1.00 0.00 N ATOM 788 CA LYS A 51 10.267 -2.874 -7.476 1.00 0.00 C ATOM 789 C LYS A 51 9.807 -2.883 -8.931 1.00 0.00 C ATOM 790 O LYS A 51 9.734 -1.836 -9.575 1.00 0.00 O ATOM 791 CB LYS A 51 11.788 -3.031 -7.410 1.00 0.00 C ATOM 792 CG LYS A 51 12.258 -4.466 -7.573 1.00 0.00 C ATOM 793 CD LYS A 51 12.605 -4.778 -9.020 1.00 0.00 C ATOM 794 CE LYS A 51 14.065 -4.479 -9.320 1.00 0.00 C ATOM 795 NZ LYS A 51 14.983 -5.302 -8.486 1.00 0.00 N ATOM 0 H LYS A 51 10.235 -4.447 -6.090 1.00 0.00 H new ATOM 0 HA LYS A 51 9.987 -1.920 -7.030 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.242 -2.418 -8.188 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.143 -2.647 -6.454 1.00 0.00 H new ATOM 0 HG2 LYS A 51 13.131 -4.638 -6.943 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.479 -5.146 -7.230 1.00 0.00 H new ATOM 0 HD2 LYS A 51 12.398 -5.828 -9.227 1.00 0.00 H new ATOM 0 HD3 LYS A 51 11.969 -4.191 -9.682 1.00 0.00 H new ATOM 0 HE2 LYS A 51 14.265 -4.668 -10.375 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.263 -3.422 -9.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 15.879 -5.445 -8.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.169 -4.812 -7.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 14.543 -6.224 -8.293 1.00 0.00 H new ATOM 809 N ASP A 52 9.498 -4.069 -9.441 1.00 0.00 N ATOM 810 CA ASP A 52 9.042 -4.213 -10.819 1.00 0.00 C ATOM 811 C ASP A 52 7.905 -5.225 -10.912 1.00 0.00 C ATOM 812 O ASP A 52 7.490 -5.804 -9.908 1.00 0.00 O ATOM 813 CB ASP A 52 10.201 -4.646 -11.719 1.00 0.00 C ATOM 814 CG ASP A 52 10.982 -3.467 -12.265 1.00 0.00 C ATOM 815 OD1 ASP A 52 11.834 -2.928 -11.528 1.00 0.00 O ATOM 816 OD2 ASP A 52 10.740 -3.082 -13.428 1.00 0.00 O ATOM 0 H ASP A 52 9.555 -4.945 -8.922 1.00 0.00 H new ATOM 0 HA ASP A 52 8.671 -3.245 -11.156 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.873 -5.293 -11.155 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.812 -5.236 -12.549 1.00 0.00 H new ATOM 821 N LYS A 53 7.403 -5.433 -12.125 1.00 0.00 N ATOM 822 CA LYS A 53 6.313 -6.375 -12.351 1.00 0.00 C ATOM 823 C LYS A 53 6.843 -7.707 -12.872 1.00 0.00 C ATOM 824 O LYS A 53 6.205 -8.359 -13.698 1.00 0.00 O ATOM 825 CB LYS A 53 5.305 -5.791 -13.344 1.00 0.00 C ATOM 826 CG LYS A 53 3.889 -6.304 -13.146 1.00 0.00 C ATOM 827 CD LYS A 53 2.906 -5.592 -14.061 1.00 0.00 C ATOM 828 CE LYS A 53 1.542 -6.265 -14.044 1.00 0.00 C ATOM 829 NZ LYS A 53 1.502 -7.461 -14.930 1.00 0.00 N ATOM 0 H LYS A 53 7.734 -4.962 -12.967 1.00 0.00 H new ATOM 0 HA LYS A 53 5.815 -6.551 -11.398 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.305 -4.705 -13.252 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.629 -6.025 -14.358 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.859 -7.376 -13.341 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.591 -6.160 -12.107 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.804 -4.553 -13.749 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.296 -5.583 -15.079 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.296 -6.560 -13.024 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.781 -5.552 -14.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.556 -7.891 -14.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.712 -7.176 -15.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.210 -8.153 -14.611 1.00 0.00 H new ATOM 1014 N PRO A 65 6.586 -7.472 3.552 1.00 0.00 N ATOM 1015 CA PRO A 65 5.122 -7.407 3.508 1.00 0.00 C ATOM 1016 C PRO A 65 4.539 -6.658 4.701 1.00 0.00 C ATOM 1017 O PRO A 65 5.075 -6.721 5.807 1.00 0.00 O ATOM 1018 CB PRO A 65 4.700 -8.878 3.542 1.00 0.00 C ATOM 1019 CG PRO A 65 5.829 -9.580 4.215 1.00 0.00 C ATOM 1020 CD PRO A 65 7.074 -8.836 3.820 1.00 0.00 C ATOM 0 HA PRO A 65 4.764 -6.867 2.631 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.768 -9.010 4.091 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.535 -9.266 2.537 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.700 -9.578 5.297 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.882 -10.623 3.902 1.00 0.00 H new ATOM 0 HD2 PRO A 65 7.818 -8.847 4.616 1.00 0.00 H new ATOM 0 HD3 PRO A 65 7.542 -9.275 2.939 1.00 0.00 H new ATOM 1028 N ILE A 66 3.439 -5.950 4.468 1.00 0.00 N ATOM 1029 CA ILE A 66 2.782 -5.190 5.525 1.00 0.00 C ATOM 1030 C ILE A 66 1.350 -5.669 5.737 1.00 0.00 C ATOM 1031 O ILE A 66 0.516 -5.584 4.836 1.00 0.00 O ATOM 1032 CB ILE A 66 2.767 -3.683 5.208 1.00 0.00 C ATOM 1033 CG1 ILE A 66 4.149 -3.224 4.739 1.00 0.00 C ATOM 1034 CG2 ILE A 66 2.325 -2.890 6.429 1.00 0.00 C ATOM 1035 CD1 ILE A 66 4.110 -1.996 3.856 1.00 0.00 C ATOM 0 H ILE A 66 2.984 -5.887 3.557 1.00 0.00 H new ATOM 0 HA ILE A 66 3.356 -5.355 6.437 1.00 0.00 H new ATOM 0 HB ILE A 66 2.054 -3.503 4.404 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.769 -3.015 5.611 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.628 -4.038 4.195 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.319 -1.827 6.190 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.322 -3.201 6.722 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.016 -3.073 7.252 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.124 -1.727 3.561 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.517 -2.207 2.966 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.660 -1.168 4.404 1.00 0.00 H new ATOM 1047 N SER A 67 1.071 -6.170 6.936 1.00 0.00 N ATOM 1048 CA SER A 67 -0.260 -6.664 7.268 1.00 0.00 C ATOM 1049 C SER A 67 -1.250 -5.510 7.402 1.00 0.00 C ATOM 1050 O SER A 67 -1.111 -4.657 8.279 1.00 0.00 O ATOM 1051 CB SER A 67 -0.220 -7.470 8.567 1.00 0.00 C ATOM 1052 OG SER A 67 0.329 -6.704 9.626 1.00 0.00 O ATOM 0 H SER A 67 1.749 -6.245 7.694 1.00 0.00 H new ATOM 0 HA SER A 67 -0.592 -7.313 6.457 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.228 -7.791 8.831 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.374 -8.372 8.421 1.00 0.00 H new ATOM 0 HG SER A 67 0.054 -5.768 9.529 1.00 0.00 H new ATOM 1058 N VAL A 68 -2.249 -5.491 6.526 1.00 0.00 N ATOM 1059 CA VAL A 68 -3.263 -4.443 6.546 1.00 0.00 C ATOM 1060 C VAL A 68 -4.342 -4.743 7.581 1.00 0.00 C ATOM 1061 O VAL A 68 -5.071 -3.849 8.009 1.00 0.00 O ATOM 1062 CB VAL A 68 -3.924 -4.275 5.165 1.00 0.00 C ATOM 1063 CG1 VAL A 68 -2.871 -4.027 4.096 1.00 0.00 C ATOM 1064 CG2 VAL A 68 -4.764 -5.497 4.825 1.00 0.00 C ATOM 0 H VAL A 68 -2.378 -6.189 5.794 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.755 -3.516 6.812 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.583 -3.408 5.199 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.357 -3.911 3.127 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.316 -3.120 4.335 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.184 -4.873 4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.224 -5.362 3.846 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.128 -6.382 4.808 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.543 -5.624 5.577 1.00 0.00 H new ATOM 1074 N ASN A 69 -4.438 -6.008 7.978 1.00 0.00 N ATOM 1075 CA ASN A 69 -5.429 -6.426 8.963 1.00 0.00 C ATOM 1076 C ASN A 69 -5.583 -5.377 10.060 1.00 0.00 C ATOM 1077 O ASN A 69 -4.685 -5.186 10.880 1.00 0.00 O ATOM 1078 CB ASN A 69 -5.031 -7.769 9.578 1.00 0.00 C ATOM 1079 CG ASN A 69 -5.967 -8.195 10.693 1.00 0.00 C ATOM 1080 OD1 ASN A 69 -6.877 -8.997 10.482 1.00 0.00 O ATOM 1081 ND2 ASN A 69 -5.749 -7.656 11.887 1.00 0.00 N ATOM 0 H ASN A 69 -3.842 -6.761 7.633 1.00 0.00 H new ATOM 0 HA ASN A 69 -6.387 -6.536 8.454 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.024 -8.533 8.801 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.015 -7.701 9.967 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.348 -7.903 12.675 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.983 -6.995 12.016 1.00 0.00 H new ATOM 1088 N ALA A 70 -6.726 -4.700 10.067 1.00 0.00 N ATOM 1089 CA ALA A 70 -6.998 -3.672 11.064 1.00 0.00 C ATOM 1090 C ALA A 70 -6.158 -2.425 10.811 1.00 0.00 C ATOM 1091 O ALA A 70 -5.546 -1.880 11.730 1.00 0.00 O ATOM 1092 CB ALA A 70 -6.738 -4.211 12.463 1.00 0.00 C ATOM 0 H ALA A 70 -7.478 -4.845 9.394 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.049 -3.393 10.984 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.945 -3.432 13.197 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.386 -5.067 12.649 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.696 -4.520 12.546 1.00 0.00 H new ATOM 1098 N CYS A 71 -6.133 -1.978 9.560 1.00 0.00 N ATOM 1099 CA CYS A 71 -5.366 -0.795 9.185 1.00 0.00 C ATOM 1100 C CYS A 71 -6.234 0.457 9.247 1.00 0.00 C ATOM 1101 O CYS A 71 -7.440 0.379 9.488 1.00 0.00 O ATOM 1102 CB CYS A 71 -4.788 -0.961 7.779 1.00 0.00 C ATOM 1103 SG CYS A 71 -5.961 -1.619 6.571 1.00 0.00 S ATOM 0 H CYS A 71 -6.635 -2.417 8.788 1.00 0.00 H new ATOM 0 HA CYS A 71 -4.547 -0.683 9.895 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -4.428 0.006 7.430 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -3.924 -1.624 7.829 1.00 0.00 H new ATOM 0 HG CYS A 71 -5.958 -2.918 6.626 1.00 0.00 H new ATOM 1109 N LEU A 72 -5.614 1.611 9.029 1.00 0.00 N ATOM 1110 CA LEU A 72 -6.329 2.882 9.062 1.00 0.00 C ATOM 1111 C LEU A 72 -6.028 3.708 7.815 1.00 0.00 C ATOM 1112 O LEU A 72 -4.968 4.326 7.709 1.00 0.00 O ATOM 1113 CB LEU A 72 -5.949 3.673 10.315 1.00 0.00 C ATOM 1114 CG LEU A 72 -6.231 2.986 11.652 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -5.073 2.081 12.042 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -6.491 4.021 12.738 1.00 0.00 C ATOM 0 H LEU A 72 -4.617 1.693 8.827 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.398 2.668 9.086 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -4.885 3.905 10.265 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.484 4.623 10.297 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.124 2.371 11.542 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.292 1.601 12.996 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.933 1.319 11.276 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.163 2.674 12.134 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.690 3.515 13.683 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.616 4.662 12.847 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.353 4.628 12.463 1.00 0.00 H new ATOM 1128 N ILE A 73 -6.968 3.716 6.876 1.00 0.00 N ATOM 1129 CA ILE A 73 -6.804 4.469 5.639 1.00 0.00 C ATOM 1130 C ILE A 73 -7.423 5.858 5.755 1.00 0.00 C ATOM 1131 O ILE A 73 -8.476 6.031 6.369 1.00 0.00 O ATOM 1132 CB ILE A 73 -7.441 3.735 4.444 1.00 0.00 C ATOM 1133 CG1 ILE A 73 -6.553 2.570 4.002 1.00 0.00 C ATOM 1134 CG2 ILE A 73 -7.671 4.700 3.291 1.00 0.00 C ATOM 1135 CD1 ILE A 73 -7.276 1.546 3.155 1.00 0.00 C ATOM 0 H ILE A 73 -7.851 3.210 6.948 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.732 4.564 5.468 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.406 3.335 4.754 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.706 2.963 3.439 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.147 2.077 4.886 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.122 4.166 2.454 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.338 5.499 3.613 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.718 5.127 2.978 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.585 0.750 2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.106 1.125 3.722 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.658 2.024 2.253 1.00 0.00 H new ATOM 1147 N ASP A 74 -6.762 6.845 5.160 1.00 0.00 N ATOM 1148 CA ASP A 74 -7.248 8.220 5.193 1.00 0.00 C ATOM 1149 C ASP A 74 -6.564 9.064 4.122 1.00 0.00 C ATOM 1150 O ASP A 74 -5.337 9.156 4.079 1.00 0.00 O ATOM 1151 CB ASP A 74 -7.009 8.834 6.574 1.00 0.00 C ATOM 1152 CG ASP A 74 -7.881 8.209 7.644 1.00 0.00 C ATOM 1153 OD1 ASP A 74 -9.080 8.554 7.708 1.00 0.00 O ATOM 1154 OD2 ASP A 74 -7.366 7.376 8.419 1.00 0.00 O ATOM 0 H ASP A 74 -5.888 6.719 4.649 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.319 8.206 4.990 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -5.961 8.711 6.846 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.204 9.906 6.531 1.00 0.00 H new ATOM 1159 N ILE A 75 -7.366 9.678 3.259 1.00 0.00 N ATOM 1160 CA ILE A 75 -6.839 10.514 2.188 1.00 0.00 C ATOM 1161 C ILE A 75 -5.753 11.451 2.707 1.00 0.00 C ATOM 1162 O ILE A 75 -6.044 12.455 3.357 1.00 0.00 O ATOM 1163 CB ILE A 75 -7.950 11.351 1.527 1.00 0.00 C ATOM 1164 CG1 ILE A 75 -9.046 10.437 0.974 1.00 0.00 C ATOM 1165 CG2 ILE A 75 -7.372 12.222 0.422 1.00 0.00 C ATOM 1166 CD1 ILE A 75 -10.294 11.178 0.550 1.00 0.00 C ATOM 0 H ILE A 75 -8.384 9.612 3.281 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.412 9.841 1.444 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.391 12.002 2.282 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.652 9.887 0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.311 9.701 1.733 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.170 12.807 -0.035 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.624 12.894 0.842 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.907 11.589 -0.334 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.027 10.467 0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -10.712 11.706 1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.043 11.895 -0.231 1.00 0.00 H new ATOM 1178 N SER A 76 -4.501 11.118 2.412 1.00 0.00 N ATOM 1179 CA SER A 76 -3.370 11.928 2.851 1.00 0.00 C ATOM 1180 C SER A 76 -3.689 13.415 2.729 1.00 0.00 C ATOM 1181 O SER A 76 -4.583 13.811 1.981 1.00 0.00 O ATOM 1182 CB SER A 76 -2.125 11.592 2.027 1.00 0.00 C ATOM 1183 OG SER A 76 -1.407 10.516 2.605 1.00 0.00 O ATOM 0 H SER A 76 -4.244 10.293 1.871 1.00 0.00 H new ATOM 0 HA SER A 76 -3.175 11.700 3.899 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.417 11.333 1.009 1.00 0.00 H new ATOM 0 HB3 SER A 76 -1.481 12.469 1.961 1.00 0.00 H new ATOM 0 HG SER A 76 -0.900 10.839 3.379 1.00 0.00 H new ATOM 1189 N TYR A 77 -2.951 14.234 3.470 1.00 0.00 N ATOM 1190 CA TYR A 77 -3.155 15.678 3.448 1.00 0.00 C ATOM 1191 C TYR A 77 -3.043 16.222 2.027 1.00 0.00 C ATOM 1192 O TYR A 77 -2.075 15.946 1.319 1.00 0.00 O ATOM 1193 CB TYR A 77 -2.136 16.372 4.353 1.00 0.00 C ATOM 1194 CG TYR A 77 -0.735 15.817 4.225 1.00 0.00 C ATOM 1195 CD1 TYR A 77 -0.307 14.766 5.027 1.00 0.00 C ATOM 1196 CD2 TYR A 77 0.161 16.344 3.303 1.00 0.00 C ATOM 1197 CE1 TYR A 77 0.972 14.257 4.914 1.00 0.00 C ATOM 1198 CE2 TYR A 77 1.441 15.840 3.182 1.00 0.00 C ATOM 1199 CZ TYR A 77 1.842 14.797 3.990 1.00 0.00 C ATOM 1200 OH TYR A 77 3.117 14.292 3.874 1.00 0.00 O ATOM 0 H TYR A 77 -2.206 13.923 4.093 1.00 0.00 H new ATOM 0 HA TYR A 77 -4.159 15.883 3.819 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.119 17.436 4.118 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.461 16.280 5.389 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -0.986 14.340 5.751 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -0.149 17.162 2.670 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.289 13.441 5.546 1.00 0.00 H new ATOM 0 HE2 TYR A 77 2.124 16.260 2.459 1.00 0.00 H new ATOM 0 HH TYR A 77 3.601 14.782 3.177 1.00 0.00 H new ATOM 1210 N SER A 78 -4.042 16.998 1.617 1.00 0.00 N ATOM 1211 CA SER A 78 -4.059 17.580 0.280 1.00 0.00 C ATOM 1212 C SER A 78 -2.824 18.445 0.049 1.00 0.00 C ATOM 1213 O SER A 78 -2.406 18.656 -1.089 1.00 0.00 O ATOM 1214 CB SER A 78 -5.325 18.414 0.080 1.00 0.00 C ATOM 1215 OG SER A 78 -5.390 19.475 1.018 1.00 0.00 O ATOM 0 H SER A 78 -4.850 17.238 2.192 1.00 0.00 H new ATOM 0 HA SER A 78 -4.051 16.766 -0.444 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.342 18.818 -0.932 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.204 17.778 0.184 1.00 0.00 H new ATOM 0 HG SER A 78 -6.207 19.994 0.868 1.00 0.00 H new ATOM 1221 N GLU A 79 -2.245 18.943 1.137 1.00 0.00 N ATOM 1222 CA GLU A 79 -1.059 19.787 1.052 1.00 0.00 C ATOM 1223 C GLU A 79 -0.029 19.183 0.103 1.00 0.00 C ATOM 1224 O GLU A 79 0.654 19.900 -0.629 1.00 0.00 O ATOM 1225 CB GLU A 79 -0.441 19.977 2.439 1.00 0.00 C ATOM 1226 CG GLU A 79 -1.022 21.151 3.209 1.00 0.00 C ATOM 1227 CD GLU A 79 -0.482 21.246 4.623 1.00 0.00 C ATOM 1228 OE1 GLU A 79 0.722 20.978 4.817 1.00 0.00 O ATOM 1229 OE2 GLU A 79 -1.264 21.587 5.535 1.00 0.00 O ATOM 0 H GLU A 79 -2.578 18.777 2.087 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.362 20.758 0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.585 19.066 3.019 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.634 20.120 2.332 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.800 22.076 2.676 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.107 21.056 3.244 1.00 0.00 H new ATOM 1236 N THR A 80 0.079 17.858 0.120 1.00 0.00 N ATOM 1237 CA THR A 80 1.026 17.156 -0.737 1.00 0.00 C ATOM 1238 C THR A 80 0.666 17.325 -2.208 1.00 0.00 C ATOM 1239 O THR A 80 -0.372 16.843 -2.663 1.00 0.00 O ATOM 1240 CB THR A 80 1.080 15.654 -0.402 1.00 0.00 C ATOM 1241 OG1 THR A 80 2.251 15.065 -0.979 1.00 0.00 O ATOM 1242 CG2 THR A 80 -0.159 14.939 -0.919 1.00 0.00 C ATOM 0 H THR A 80 -0.479 17.249 0.719 1.00 0.00 H new ATOM 0 HA THR A 80 2.006 17.597 -0.553 1.00 0.00 H new ATOM 0 HB THR A 80 1.116 15.548 0.682 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.279 14.110 -0.760 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.098 13.879 -0.670 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.047 15.370 -0.457 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.221 15.055 -2.001 1.00 0.00 H new ATOM 1250 N LYS A 81 1.529 18.011 -2.949 1.00 0.00 N ATOM 1251 CA LYS A 81 1.303 18.242 -4.371 1.00 0.00 C ATOM 1252 C LYS A 81 0.817 16.971 -5.059 1.00 0.00 C ATOM 1253 O LYS A 81 0.174 17.028 -6.107 1.00 0.00 O ATOM 1254 CB LYS A 81 2.589 18.736 -5.039 1.00 0.00 C ATOM 1255 CG LYS A 81 2.808 20.233 -4.903 1.00 0.00 C ATOM 1256 CD LYS A 81 1.887 21.017 -5.823 1.00 0.00 C ATOM 1257 CE LYS A 81 1.624 22.416 -5.287 1.00 0.00 C ATOM 1258 NZ LYS A 81 2.702 23.369 -5.671 1.00 0.00 N ATOM 0 H LYS A 81 2.392 18.417 -2.588 1.00 0.00 H new ATOM 0 HA LYS A 81 0.532 19.006 -4.471 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.439 18.212 -4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.562 18.476 -6.097 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.635 20.535 -3.870 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.846 20.472 -5.135 1.00 0.00 H new ATOM 0 HD2 LYS A 81 2.333 21.084 -6.815 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.942 20.485 -5.934 1.00 0.00 H new ATOM 0 HE2 LYS A 81 0.668 22.777 -5.667 1.00 0.00 H new ATOM 0 HE3 LYS A 81 1.542 22.379 -4.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.486 24.311 -5.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.610 23.039 -5.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.764 23.424 -6.708 1.00 0.00 H new ATOM 1272 N ARG A 82 1.127 15.825 -4.461 1.00 0.00 N ATOM 1273 CA ARG A 82 0.721 14.539 -5.016 1.00 0.00 C ATOM 1274 C ARG A 82 -0.773 14.306 -4.812 1.00 0.00 C ATOM 1275 O ARG A 82 -1.269 14.340 -3.686 1.00 0.00 O ATOM 1276 CB ARG A 82 1.518 13.405 -4.369 1.00 0.00 C ATOM 1277 CG ARG A 82 2.985 13.387 -4.768 1.00 0.00 C ATOM 1278 CD ARG A 82 3.806 12.514 -3.832 1.00 0.00 C ATOM 1279 NE ARG A 82 3.873 11.130 -4.291 1.00 0.00 N ATOM 1280 CZ ARG A 82 4.680 10.716 -5.262 1.00 0.00 C ATOM 1281 NH1 ARG A 82 5.485 11.575 -5.871 1.00 0.00 N ATOM 1282 NH2 ARG A 82 4.684 9.439 -5.624 1.00 0.00 N ATOM 0 H ARG A 82 1.658 15.761 -3.592 1.00 0.00 H new ATOM 0 HA ARG A 82 0.926 14.553 -6.086 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.446 13.494 -3.285 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.064 12.452 -4.641 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.081 13.018 -5.789 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.378 14.403 -4.758 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.815 12.918 -3.752 1.00 0.00 H new ATOM 0 HD3 ARG A 82 3.370 12.544 -2.833 1.00 0.00 H new ATOM 0 HE ARG A 82 3.267 10.443 -3.842 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.486 12.557 -5.595 1.00 0.00 H new ATOM 0 HH12 ARG A 82 6.103 11.254 -6.616 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.067 8.775 -5.157 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.304 9.122 -6.370 1.00 0.00 H new ATOM 1296 N LYS A 83 -1.485 14.070 -5.908 1.00 0.00 N ATOM 1297 CA LYS A 83 -2.922 13.831 -5.851 1.00 0.00 C ATOM 1298 C LYS A 83 -3.222 12.338 -5.765 1.00 0.00 C ATOM 1299 O LYS A 83 -2.310 11.513 -5.727 1.00 0.00 O ATOM 1300 CB LYS A 83 -3.609 14.430 -7.081 1.00 0.00 C ATOM 1301 CG LYS A 83 -3.606 15.948 -7.100 1.00 0.00 C ATOM 1302 CD LYS A 83 -4.607 16.495 -8.104 1.00 0.00 C ATOM 1303 CE LYS A 83 -5.994 16.627 -7.494 1.00 0.00 C ATOM 1304 NZ LYS A 83 -6.867 17.532 -8.292 1.00 0.00 N ATOM 0 H LYS A 83 -1.090 14.039 -6.848 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.310 14.314 -4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.112 14.063 -7.979 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.639 14.077 -7.119 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.843 16.326 -6.105 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.607 16.308 -7.348 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.271 17.469 -8.460 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.651 15.836 -8.971 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -6.457 15.642 -7.427 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.909 17.009 -6.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.803 17.596 -7.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -6.439 18.479 -8.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.970 17.155 -9.256 1.00 0.00 H new ATOM 1318 N ASN A 84 -4.506 11.998 -5.735 1.00 0.00 N ATOM 1319 CA ASN A 84 -4.926 10.603 -5.654 1.00 0.00 C ATOM 1320 C ASN A 84 -4.003 9.810 -4.735 1.00 0.00 C ATOM 1321 O ASN A 84 -3.528 8.732 -5.093 1.00 0.00 O ATOM 1322 CB ASN A 84 -4.941 9.972 -7.048 1.00 0.00 C ATOM 1323 CG ASN A 84 -3.916 10.594 -7.976 1.00 0.00 C ATOM 1324 OD1 ASN A 84 -2.713 10.384 -7.820 1.00 0.00 O ATOM 1325 ND2 ASN A 84 -4.388 11.365 -8.948 1.00 0.00 N ATOM 0 H ASN A 84 -5.274 12.669 -5.766 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.934 10.576 -5.239 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.747 8.903 -6.962 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.934 10.082 -7.483 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.745 11.811 -9.603 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.393 11.512 -9.040 1.00 0.00 H new ATOM 1332 N VAL A 85 -3.752 10.351 -3.547 1.00 0.00 N ATOM 1333 CA VAL A 85 -2.887 9.693 -2.574 1.00 0.00 C ATOM 1334 C VAL A 85 -3.617 9.465 -1.255 1.00 0.00 C ATOM 1335 O VAL A 85 -4.184 10.394 -0.679 1.00 0.00 O ATOM 1336 CB VAL A 85 -1.614 10.518 -2.308 1.00 0.00 C ATOM 1337 CG1 VAL A 85 -1.968 11.867 -1.701 1.00 0.00 C ATOM 1338 CG2 VAL A 85 -0.662 9.750 -1.403 1.00 0.00 C ATOM 0 H VAL A 85 -4.135 11.243 -3.235 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.605 8.730 -3.000 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.112 10.696 -3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.056 12.435 -1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.609 12.419 -2.389 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.494 11.715 -0.758 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.232 10.347 -1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.153 9.540 -0.453 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.382 8.812 -1.882 1.00 0.00 H new ATOM 1348 N PHE A 86 -3.598 8.224 -0.782 1.00 0.00 N ATOM 1349 CA PHE A 86 -4.259 7.873 0.470 1.00 0.00 C ATOM 1350 C PHE A 86 -3.248 7.368 1.495 1.00 0.00 C ATOM 1351 O PHE A 86 -2.332 6.616 1.161 1.00 0.00 O ATOM 1352 CB PHE A 86 -5.329 6.807 0.225 1.00 0.00 C ATOM 1353 CG PHE A 86 -4.855 5.666 -0.629 1.00 0.00 C ATOM 1354 CD1 PHE A 86 -4.538 5.867 -1.962 1.00 0.00 C ATOM 1355 CD2 PHE A 86 -4.727 4.393 -0.098 1.00 0.00 C ATOM 1356 CE1 PHE A 86 -4.101 4.819 -2.751 1.00 0.00 C ATOM 1357 CE2 PHE A 86 -4.291 3.341 -0.881 1.00 0.00 C ATOM 1358 CZ PHE A 86 -3.978 3.554 -2.209 1.00 0.00 C ATOM 0 H PHE A 86 -3.132 7.444 -1.246 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.734 8.771 0.865 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.667 6.416 1.185 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.192 7.273 -0.251 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.633 6.854 -2.390 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.971 4.221 0.940 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.856 4.989 -3.789 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.195 2.353 -0.455 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.638 2.733 -2.823 1.00 0.00 H new ATOM 1368 N ARG A 87 -3.421 7.787 2.744 1.00 0.00 N ATOM 1369 CA ARG A 87 -2.524 7.380 3.819 1.00 0.00 C ATOM 1370 C ARG A 87 -3.036 6.117 4.505 1.00 0.00 C ATOM 1371 O ARG A 87 -4.201 6.039 4.896 1.00 0.00 O ATOM 1372 CB ARG A 87 -2.376 8.506 4.843 1.00 0.00 C ATOM 1373 CG ARG A 87 -1.813 8.045 6.178 1.00 0.00 C ATOM 1374 CD ARG A 87 -1.274 9.213 6.989 1.00 0.00 C ATOM 1375 NE ARG A 87 -2.307 9.823 7.822 1.00 0.00 N ATOM 1376 CZ ARG A 87 -3.163 10.738 7.380 1.00 0.00 C ATOM 1377 NH1 ARG A 87 -3.111 11.145 6.120 1.00 0.00 N ATOM 1378 NH2 ARG A 87 -4.075 11.246 8.200 1.00 0.00 N ATOM 0 H ARG A 87 -4.175 8.409 3.037 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.548 7.166 3.383 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.725 9.277 4.431 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.350 8.966 5.008 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.591 7.535 6.746 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -1.016 7.321 6.008 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.455 8.869 7.621 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.862 9.964 6.314 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.375 9.530 8.797 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.413 10.756 5.487 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.769 11.848 5.783 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.119 10.934 9.170 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.732 11.948 7.860 1.00 0.00 H new ATOM 1392 N LEU A 88 -2.158 5.130 4.647 1.00 0.00 N ATOM 1393 CA LEU A 88 -2.521 3.869 5.286 1.00 0.00 C ATOM 1394 C LEU A 88 -1.597 3.569 6.461 1.00 0.00 C ATOM 1395 O LEU A 88 -0.376 3.688 6.352 1.00 0.00 O ATOM 1396 CB LEU A 88 -2.464 2.726 4.272 1.00 0.00 C ATOM 1397 CG LEU A 88 -2.338 1.318 4.854 1.00 0.00 C ATOM 1398 CD1 LEU A 88 -3.000 0.300 3.938 1.00 0.00 C ATOM 1399 CD2 LEU A 88 -0.876 0.963 5.081 1.00 0.00 C ATOM 0 H LEU A 88 -1.190 5.178 4.329 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.540 3.961 5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.365 2.765 3.660 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.618 2.899 3.606 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.850 1.297 5.816 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.900 -0.696 4.369 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.057 0.543 3.827 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.518 0.323 2.961 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.806 -0.043 5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.340 1.003 4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.433 1.674 5.778 1.00 0.00 H new ATOM 1411 N THR A 89 -2.187 3.176 7.586 1.00 0.00 N ATOM 1412 CA THR A 89 -1.417 2.857 8.782 1.00 0.00 C ATOM 1413 C THR A 89 -1.705 1.438 9.258 1.00 0.00 C ATOM 1414 O THR A 89 -2.859 1.062 9.465 1.00 0.00 O ATOM 1415 CB THR A 89 -1.722 3.842 9.926 1.00 0.00 C ATOM 1416 OG1 THR A 89 -1.568 5.189 9.466 1.00 0.00 O ATOM 1417 CG2 THR A 89 -0.801 3.597 11.111 1.00 0.00 C ATOM 0 H THR A 89 -3.196 3.071 7.694 1.00 0.00 H new ATOM 0 HA THR A 89 -0.364 2.941 8.512 1.00 0.00 H new ATOM 0 HB THR A 89 -2.751 3.684 10.248 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.765 5.809 10.199 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.035 4.305 11.906 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.942 2.580 11.477 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.235 3.731 10.800 1.00 0.00 H new ATOM 1425 N THR A 90 -0.647 0.651 9.432 1.00 0.00 N ATOM 1426 CA THR A 90 -0.786 -0.728 9.884 1.00 0.00 C ATOM 1427 C THR A 90 -0.263 -0.895 11.306 1.00 0.00 C ATOM 1428 O THR A 90 0.762 -0.320 11.673 1.00 0.00 O ATOM 1429 CB THR A 90 -0.036 -1.702 8.955 1.00 0.00 C ATOM 1430 OG1 THR A 90 1.345 -1.767 9.326 1.00 0.00 O ATOM 1431 CG2 THR A 90 -0.157 -1.265 7.503 1.00 0.00 C ATOM 0 H THR A 90 0.315 0.945 9.267 1.00 0.00 H new ATOM 0 HA THR A 90 -1.850 -0.963 9.861 1.00 0.00 H new ATOM 0 HB THR A 90 -0.486 -2.689 9.059 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.786 -0.924 9.093 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.380 -1.967 6.866 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.208 -1.245 7.215 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.270 -0.269 7.386 1.00 0.00 H new ATOM 1439 N SER A 91 -0.973 -1.688 12.103 1.00 0.00 N ATOM 1440 CA SER A 91 -0.581 -1.929 13.487 1.00 0.00 C ATOM 1441 C SER A 91 0.927 -2.134 13.597 1.00 0.00 C ATOM 1442 O SER A 91 1.538 -1.794 14.610 1.00 0.00 O ATOM 1443 CB SER A 91 -1.315 -3.151 14.041 1.00 0.00 C ATOM 1444 OG SER A 91 -1.182 -3.231 15.450 1.00 0.00 O ATOM 0 H SER A 91 -1.822 -2.174 11.814 1.00 0.00 H new ATOM 0 HA SER A 91 -0.854 -1.052 14.074 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.371 -3.097 13.775 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.917 -4.057 13.583 1.00 0.00 H new ATOM 0 HG SER A 91 -1.661 -4.020 15.780 1.00 0.00 H new ATOM 1450 N ASP A 92 1.520 -2.691 12.547 1.00 0.00 N ATOM 1451 CA ASP A 92 2.956 -2.941 12.524 1.00 0.00 C ATOM 1452 C ASP A 92 3.725 -1.665 12.195 1.00 0.00 C ATOM 1453 O ASP A 92 4.560 -1.212 12.979 1.00 0.00 O ATOM 1454 CB ASP A 92 3.290 -4.030 11.502 1.00 0.00 C ATOM 1455 CG ASP A 92 4.705 -4.552 11.654 1.00 0.00 C ATOM 1456 OD1 ASP A 92 4.903 -5.514 12.427 1.00 0.00 O ATOM 1457 OD2 ASP A 92 5.614 -4.000 11.000 1.00 0.00 O ATOM 0 H ASP A 92 1.028 -2.978 11.701 1.00 0.00 H new ATOM 0 HA ASP A 92 3.256 -3.280 13.516 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.587 -4.856 11.613 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.159 -3.632 10.496 1.00 0.00 H new ATOM 1462 N CYS A 93 3.437 -1.091 11.032 1.00 0.00 N ATOM 1463 CA CYS A 93 4.103 0.133 10.599 1.00 0.00 C ATOM 1464 C CYS A 93 3.141 1.031 9.829 1.00 0.00 C ATOM 1465 O CYS A 93 1.984 0.674 9.610 1.00 0.00 O ATOM 1466 CB CYS A 93 5.314 -0.202 9.728 1.00 0.00 C ATOM 1467 SG CYS A 93 5.172 -1.769 8.836 1.00 0.00 S ATOM 0 H CYS A 93 2.748 -1.453 10.373 1.00 0.00 H new ATOM 0 HA CYS A 93 4.440 0.668 11.487 1.00 0.00 H new ATOM 0 HB2 CYS A 93 5.463 0.602 9.007 1.00 0.00 H new ATOM 0 HB3 CYS A 93 6.203 -0.234 10.358 1.00 0.00 H new ATOM 0 HG CYS A 93 5.366 -2.756 9.659 1.00 0.00 H new ATOM 1473 N GLU A 94 3.627 2.200 9.423 1.00 0.00 N ATOM 1474 CA GLU A 94 2.808 3.151 8.680 1.00 0.00 C ATOM 1475 C GLU A 94 3.460 3.504 7.346 1.00 0.00 C ATOM 1476 O GLU A 94 4.683 3.619 7.252 1.00 0.00 O ATOM 1477 CB GLU A 94 2.587 4.421 9.504 1.00 0.00 C ATOM 1478 CG GLU A 94 1.492 5.320 8.954 1.00 0.00 C ATOM 1479 CD GLU A 94 1.116 6.433 9.913 1.00 0.00 C ATOM 1480 OE1 GLU A 94 1.286 6.245 11.136 1.00 0.00 O ATOM 1481 OE2 GLU A 94 0.653 7.492 9.440 1.00 0.00 O ATOM 0 H GLU A 94 4.583 2.511 9.596 1.00 0.00 H new ATOM 0 HA GLU A 94 1.844 2.683 8.481 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.336 4.141 10.527 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.520 4.983 9.547 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.823 5.754 8.011 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.609 4.719 8.736 1.00 0.00 H new ATOM 1488 N CYS A 95 2.636 3.673 6.318 1.00 0.00 N ATOM 1489 CA CYS A 95 3.131 4.012 4.988 1.00 0.00 C ATOM 1490 C CYS A 95 2.043 4.684 4.158 1.00 0.00 C ATOM 1491 O CYS A 95 0.854 4.553 4.450 1.00 0.00 O ATOM 1492 CB CYS A 95 3.633 2.757 4.273 1.00 0.00 C ATOM 1493 SG CYS A 95 2.328 1.586 3.833 1.00 0.00 S ATOM 0 H CYS A 95 1.622 3.581 6.380 1.00 0.00 H new ATOM 0 HA CYS A 95 3.959 4.712 5.103 1.00 0.00 H new ATOM 0 HB2 CYS A 95 4.160 3.055 3.366 1.00 0.00 H new ATOM 0 HB3 CYS A 95 4.358 2.253 4.912 1.00 0.00 H new ATOM 0 HG CYS A 95 1.885 1.857 2.641 1.00 0.00 H new ATOM 1499 N LEU A 96 2.458 5.405 3.122 1.00 0.00 N ATOM 1500 CA LEU A 96 1.518 6.101 2.249 1.00 0.00 C ATOM 1501 C LEU A 96 1.368 5.370 0.919 1.00 0.00 C ATOM 1502 O LEU A 96 2.103 4.425 0.631 1.00 0.00 O ATOM 1503 CB LEU A 96 1.986 7.537 2.005 1.00 0.00 C ATOM 1504 CG LEU A 96 1.915 8.479 3.207 1.00 0.00 C ATOM 1505 CD1 LEU A 96 2.530 9.827 2.865 1.00 0.00 C ATOM 1506 CD2 LEU A 96 0.474 8.650 3.667 1.00 0.00 C ATOM 0 H LEU A 96 3.438 5.523 2.866 1.00 0.00 H new ATOM 0 HA LEU A 96 0.547 6.121 2.743 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.017 7.507 1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.386 7.962 1.200 1.00 0.00 H new ATOM 0 HG LEU A 96 2.486 8.038 4.024 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.471 10.485 3.732 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.574 9.690 2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.987 10.274 2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.443 9.324 4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.120 9.068 2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.066 7.681 3.953 1.00 0.00 H new ATOM 1518 N PHE A 97 0.412 5.814 0.110 1.00 0.00 N ATOM 1519 CA PHE A 97 0.166 5.203 -1.191 1.00 0.00 C ATOM 1520 C PHE A 97 -0.435 6.215 -2.162 1.00 0.00 C ATOM 1521 O PHE A 97 -1.190 7.101 -1.763 1.00 0.00 O ATOM 1522 CB PHE A 97 -0.770 4.002 -1.045 1.00 0.00 C ATOM 1523 CG PHE A 97 -0.121 2.811 -0.400 1.00 0.00 C ATOM 1524 CD1 PHE A 97 0.813 2.055 -1.090 1.00 0.00 C ATOM 1525 CD2 PHE A 97 -0.445 2.447 0.897 1.00 0.00 C ATOM 1526 CE1 PHE A 97 1.413 0.959 -0.499 1.00 0.00 C ATOM 1527 CE2 PHE A 97 0.152 1.352 1.494 1.00 0.00 C ATOM 1528 CZ PHE A 97 1.081 0.606 0.794 1.00 0.00 C ATOM 0 H PHE A 97 -0.205 6.595 0.332 1.00 0.00 H new ATOM 0 HA PHE A 97 1.121 4.864 -1.592 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -1.637 4.297 -0.455 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.138 3.716 -2.031 1.00 0.00 H new ATOM 0 HD1 PHE A 97 1.075 2.325 -2.102 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.172 3.025 1.448 1.00 0.00 H new ATOM 0 HE1 PHE A 97 2.141 0.379 -1.048 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.108 1.080 2.506 1.00 0.00 H new ATOM 0 HZ PHE A 97 1.546 -0.251 1.257 1.00 0.00 H new ATOM 1538 N GLN A 98 -0.093 6.076 -3.439 1.00 0.00 N ATOM 1539 CA GLN A 98 -0.597 6.979 -4.467 1.00 0.00 C ATOM 1540 C GLN A 98 -1.078 6.200 -5.687 1.00 0.00 C ATOM 1541 O GLN A 98 -0.534 5.146 -6.017 1.00 0.00 O ATOM 1542 CB GLN A 98 0.489 7.974 -4.879 1.00 0.00 C ATOM 1543 CG GLN A 98 0.031 8.976 -5.927 1.00 0.00 C ATOM 1544 CD GLN A 98 1.165 9.834 -6.449 1.00 0.00 C ATOM 1545 OE1 GLN A 98 2.312 9.392 -6.519 1.00 0.00 O ATOM 1546 NE2 GLN A 98 0.851 11.070 -6.820 1.00 0.00 N ATOM 0 H GLN A 98 0.531 5.347 -3.786 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.443 7.527 -4.051 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.829 8.515 -3.996 1.00 0.00 H new ATOM 0 HB3 GLN A 98 1.347 7.423 -5.265 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.428 8.442 -6.759 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.738 9.619 -5.498 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.113 11.396 -6.745 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.574 11.694 -7.180 1.00 0.00 H new ATOM 1555 N ALA A 99 -2.102 6.725 -6.352 1.00 0.00 N ATOM 1556 CA ALA A 99 -2.656 6.079 -7.536 1.00 0.00 C ATOM 1557 C ALA A 99 -2.491 6.960 -8.769 1.00 0.00 C ATOM 1558 O ALA A 99 -2.115 8.127 -8.663 1.00 0.00 O ATOM 1559 CB ALA A 99 -4.124 5.745 -7.316 1.00 0.00 C ATOM 0 H ALA A 99 -2.565 7.596 -6.091 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.106 5.154 -7.707 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.525 5.263 -8.208 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.220 5.071 -6.465 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.680 6.661 -7.118 1.00 0.00 H new ATOM 1565 N GLU A 100 -2.773 6.393 -9.938 1.00 0.00 N ATOM 1566 CA GLU A 100 -2.653 7.129 -11.192 1.00 0.00 C ATOM 1567 C GLU A 100 -3.760 8.172 -11.318 1.00 0.00 C ATOM 1568 O GLU A 100 -3.508 9.316 -11.697 1.00 0.00 O ATOM 1569 CB GLU A 100 -2.707 6.166 -12.380 1.00 0.00 C ATOM 1570 CG GLU A 100 -2.236 4.761 -12.046 1.00 0.00 C ATOM 1571 CD GLU A 100 -3.356 3.878 -11.530 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -4.503 4.044 -11.993 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -3.084 3.021 -10.663 1.00 0.00 O ATOM 0 H GLU A 100 -3.086 5.428 -10.043 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.692 7.643 -11.193 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.730 6.118 -12.752 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.093 6.564 -13.188 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.801 4.307 -12.936 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.446 4.815 -11.297 1.00 0.00 H new ATOM 1580 N ASP A 101 -4.984 7.769 -10.999 1.00 0.00 N ATOM 1581 CA ASP A 101 -6.130 8.668 -11.076 1.00 0.00 C ATOM 1582 C ASP A 101 -7.081 8.438 -9.905 1.00 0.00 C ATOM 1583 O ASP A 101 -7.137 7.344 -9.345 1.00 0.00 O ATOM 1584 CB ASP A 101 -6.872 8.470 -12.399 1.00 0.00 C ATOM 1585 CG ASP A 101 -6.143 9.096 -13.571 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -5.731 10.269 -13.456 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -5.984 8.412 -14.604 1.00 0.00 O ATOM 0 H ASP A 101 -5.209 6.825 -10.684 1.00 0.00 H new ATOM 0 HA ASP A 101 -5.761 9.693 -11.025 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -7.002 7.404 -12.583 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -7.869 8.904 -12.321 1.00 0.00 H new ATOM 1592 N ARG A 102 -7.825 9.477 -9.542 1.00 0.00 N ATOM 1593 CA ARG A 102 -8.771 9.390 -8.436 1.00 0.00 C ATOM 1594 C ARG A 102 -9.528 8.065 -8.472 1.00 0.00 C ATOM 1595 O ARG A 102 -9.435 7.260 -7.545 1.00 0.00 O ATOM 1596 CB ARG A 102 -9.760 10.556 -8.490 1.00 0.00 C ATOM 1597 CG ARG A 102 -10.714 10.600 -7.307 1.00 0.00 C ATOM 1598 CD ARG A 102 -11.766 11.684 -7.480 1.00 0.00 C ATOM 1599 NE ARG A 102 -12.689 11.383 -8.571 1.00 0.00 N ATOM 1600 CZ ARG A 102 -13.693 12.177 -8.925 1.00 0.00 C ATOM 1601 NH1 ARG A 102 -13.903 13.314 -8.278 1.00 0.00 N ATOM 1602 NH2 ARG A 102 -14.490 11.833 -9.929 1.00 0.00 N ATOM 0 H ARG A 102 -7.791 10.389 -9.997 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.208 9.443 -7.504 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -9.203 11.492 -8.532 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -10.339 10.488 -9.411 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.202 9.632 -7.196 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -10.151 10.780 -6.391 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -12.326 11.796 -6.552 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -11.275 12.638 -7.673 1.00 0.00 H new ATOM 0 HE ARG A 102 -12.555 10.515 -9.090 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -13.293 13.582 -7.506 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -14.675 13.922 -8.552 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -14.332 10.958 -10.429 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -15.261 12.443 -10.200 1.00 0.00 H new ATOM 1616 N ASP A 103 -10.276 7.846 -9.548 1.00 0.00 N ATOM 1617 CA ASP A 103 -11.049 6.619 -9.705 1.00 0.00 C ATOM 1618 C ASP A 103 -10.259 5.412 -9.209 1.00 0.00 C ATOM 1619 O ASP A 103 -10.691 4.708 -8.296 1.00 0.00 O ATOM 1620 CB ASP A 103 -11.439 6.422 -11.171 1.00 0.00 C ATOM 1621 CG ASP A 103 -12.298 5.190 -11.380 1.00 0.00 C ATOM 1622 OD1 ASP A 103 -13.159 4.914 -10.519 1.00 0.00 O ATOM 1623 OD2 ASP A 103 -12.109 4.503 -12.405 1.00 0.00 O ATOM 0 H ASP A 103 -10.364 8.502 -10.324 1.00 0.00 H new ATOM 0 HA ASP A 103 -11.954 6.709 -9.105 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -11.979 7.302 -11.522 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -10.536 6.339 -11.776 1.00 0.00 H new ATOM 1628 N ASP A 104 -9.100 5.180 -9.816 1.00 0.00 N ATOM 1629 CA ASP A 104 -8.250 4.058 -9.436 1.00 0.00 C ATOM 1630 C ASP A 104 -8.023 4.035 -7.928 1.00 0.00 C ATOM 1631 O ASP A 104 -8.063 2.976 -7.301 1.00 0.00 O ATOM 1632 CB ASP A 104 -6.907 4.138 -10.165 1.00 0.00 C ATOM 1633 CG ASP A 104 -6.983 3.597 -11.579 1.00 0.00 C ATOM 1634 OD1 ASP A 104 -6.828 2.370 -11.754 1.00 0.00 O ATOM 1635 OD2 ASP A 104 -7.200 4.399 -12.511 1.00 0.00 O ATOM 0 H ASP A 104 -8.728 5.754 -10.573 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.757 3.137 -9.723 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -6.574 5.175 -10.193 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -6.159 3.578 -9.604 1.00 0.00 H new ATOM 1640 N MET A 105 -7.783 5.208 -7.352 1.00 0.00 N ATOM 1641 CA MET A 105 -7.550 5.322 -5.917 1.00 0.00 C ATOM 1642 C MET A 105 -8.750 4.808 -5.129 1.00 0.00 C ATOM 1643 O MET A 105 -8.651 3.819 -4.401 1.00 0.00 O ATOM 1644 CB MET A 105 -7.261 6.776 -5.539 1.00 0.00 C ATOM 1645 CG MET A 105 -6.829 6.954 -4.093 1.00 0.00 C ATOM 1646 SD MET A 105 -6.664 8.687 -3.625 1.00 0.00 S ATOM 1647 CE MET A 105 -8.371 9.224 -3.709 1.00 0.00 C ATOM 0 H MET A 105 -7.745 6.093 -7.857 1.00 0.00 H new ATOM 0 HA MET A 105 -6.684 4.710 -5.665 1.00 0.00 H new ATOM 0 HB2 MET A 105 -6.480 7.164 -6.193 1.00 0.00 H new ATOM 0 HB3 MET A 105 -8.154 7.374 -5.719 1.00 0.00 H new ATOM 0 HG2 MET A 105 -7.556 6.473 -3.439 1.00 0.00 H new ATOM 0 HG3 MET A 105 -5.876 6.448 -3.938 1.00 0.00 H new ATOM 0 HE1 MET A 105 -8.470 10.198 -3.230 1.00 0.00 H new ATOM 0 HE2 MET A 105 -8.678 9.299 -4.752 1.00 0.00 H new ATOM 0 HE3 MET A 105 -9.005 8.501 -3.196 1.00 0.00 H new ATOM 1657 N LEU A 106 -9.883 5.485 -5.277 1.00 0.00 N ATOM 1658 CA LEU A 106 -11.104 5.097 -4.578 1.00 0.00 C ATOM 1659 C LEU A 106 -11.231 3.579 -4.508 1.00 0.00 C ATOM 1660 O LEU A 106 -11.563 3.022 -3.462 1.00 0.00 O ATOM 1661 CB LEU A 106 -12.327 5.691 -5.279 1.00 0.00 C ATOM 1662 CG LEU A 106 -12.739 7.095 -4.836 1.00 0.00 C ATOM 1663 CD1 LEU A 106 -13.268 7.071 -3.410 1.00 0.00 C ATOM 1664 CD2 LEU A 106 -11.566 8.057 -4.955 1.00 0.00 C ATOM 0 H LEU A 106 -9.982 6.306 -5.875 1.00 0.00 H new ATOM 0 HA LEU A 106 -11.051 5.486 -3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -12.131 5.713 -6.351 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -13.172 5.020 -5.123 1.00 0.00 H new ATOM 0 HG LEU A 106 -13.537 7.443 -5.492 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -13.556 8.079 -3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -14.136 6.414 -3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -12.491 6.703 -2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -11.877 9.052 -4.636 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -10.747 7.713 -4.323 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -11.232 8.097 -5.992 1.00 0.00 H new ATOM 1676 N ALA A 107 -10.963 2.915 -5.627 1.00 0.00 N ATOM 1677 CA ALA A 107 -11.044 1.461 -5.691 1.00 0.00 C ATOM 1678 C ALA A 107 -10.167 0.815 -4.624 1.00 0.00 C ATOM 1679 O ALA A 107 -10.632 -0.019 -3.846 1.00 0.00 O ATOM 1680 CB ALA A 107 -10.643 0.970 -7.074 1.00 0.00 C ATOM 0 H ALA A 107 -10.688 3.361 -6.502 1.00 0.00 H new ATOM 0 HA ALA A 107 -12.077 1.171 -5.500 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -10.708 -0.118 -7.107 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.313 1.397 -7.820 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -9.620 1.279 -7.287 1.00 0.00 H new ATOM 1686 N TRP A 108 -8.898 1.205 -4.593 1.00 0.00 N ATOM 1687 CA TRP A 108 -7.956 0.662 -3.620 1.00 0.00 C ATOM 1688 C TRP A 108 -8.469 0.857 -2.198 1.00 0.00 C ATOM 1689 O TRP A 108 -8.662 -0.109 -1.460 1.00 0.00 O ATOM 1690 CB TRP A 108 -6.588 1.328 -3.779 1.00 0.00 C ATOM 1691 CG TRP A 108 -5.694 0.625 -4.755 1.00 0.00 C ATOM 1692 CD1 TRP A 108 -5.376 1.035 -6.018 1.00 0.00 C ATOM 1693 CD2 TRP A 108 -5.004 -0.613 -4.547 1.00 0.00 C ATOM 1694 NE1 TRP A 108 -4.531 0.127 -6.609 1.00 0.00 N ATOM 1695 CE2 TRP A 108 -4.287 -0.892 -5.727 1.00 0.00 C ATOM 1696 CE3 TRP A 108 -4.921 -1.510 -3.480 1.00 0.00 C ATOM 1697 CZ2 TRP A 108 -3.500 -2.032 -5.866 1.00 0.00 C ATOM 1698 CZ3 TRP A 108 -4.140 -2.641 -3.620 1.00 0.00 C ATOM 1699 CH2 TRP A 108 -3.437 -2.894 -4.805 1.00 0.00 C ATOM 0 H TRP A 108 -8.497 1.894 -5.229 1.00 0.00 H new ATOM 0 HA TRP A 108 -7.855 -0.407 -3.805 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -6.729 2.359 -4.104 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -6.095 1.365 -2.808 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -5.736 1.940 -6.484 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -4.148 0.200 -7.551 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -5.458 -1.323 -2.562 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -2.958 -2.229 -6.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -4.070 -3.342 -2.802 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -2.834 -3.786 -4.883 1.00 0.00 H new ATOM 1710 N ILE A 109 -8.687 2.112 -1.819 1.00 0.00 N ATOM 1711 CA ILE A 109 -9.179 2.432 -0.485 1.00 0.00 C ATOM 1712 C ILE A 109 -10.282 1.469 -0.060 1.00 0.00 C ATOM 1713 O ILE A 109 -10.258 0.929 1.045 1.00 0.00 O ATOM 1714 CB ILE A 109 -9.716 3.874 -0.414 1.00 0.00 C ATOM 1715 CG1 ILE A 109 -8.611 4.871 -0.771 1.00 0.00 C ATOM 1716 CG2 ILE A 109 -10.272 4.165 0.972 1.00 0.00 C ATOM 1717 CD1 ILE A 109 -9.100 6.297 -0.891 1.00 0.00 C ATOM 0 H ILE A 109 -8.531 2.923 -2.417 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.333 2.334 0.195 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.524 3.981 -1.138 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -7.832 4.825 -0.010 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.153 4.572 -1.714 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.648 5.188 1.006 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.085 3.473 1.191 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.482 4.044 1.714 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.264 6.948 -1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -9.858 6.357 -1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.531 6.615 0.058 1.00 0.00 H new ATOM 1729 N LYS A 110 -11.249 1.258 -0.947 1.00 0.00 N ATOM 1730 CA LYS A 110 -12.361 0.357 -0.667 1.00 0.00 C ATOM 1731 C LYS A 110 -11.865 -1.069 -0.452 1.00 0.00 C ATOM 1732 O LYS A 110 -11.933 -1.601 0.657 1.00 0.00 O ATOM 1733 CB LYS A 110 -13.372 0.390 -1.815 1.00 0.00 C ATOM 1734 CG LYS A 110 -14.427 -0.700 -1.728 1.00 0.00 C ATOM 1735 CD LYS A 110 -15.461 -0.565 -2.833 1.00 0.00 C ATOM 1736 CE LYS A 110 -14.998 -1.240 -4.116 1.00 0.00 C ATOM 1737 NZ LYS A 110 -15.407 -2.670 -4.168 1.00 0.00 N ATOM 0 H LYS A 110 -11.285 1.699 -1.866 1.00 0.00 H new ATOM 0 HA LYS A 110 -12.848 0.694 0.248 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.866 1.362 -1.825 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -12.839 0.293 -2.761 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -13.948 -1.677 -1.794 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -14.922 -0.652 -0.758 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -16.403 -1.007 -2.507 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -15.654 0.490 -3.025 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -15.413 -0.712 -4.974 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -13.913 -1.169 -4.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -15.073 -3.094 -5.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -14.990 -3.180 -3.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -16.444 -2.736 -4.121 1.00 0.00 H new ATOM 1751 N THR A 111 -11.365 -1.684 -1.519 1.00 0.00 N ATOM 1752 CA THR A 111 -10.858 -3.049 -1.447 1.00 0.00 C ATOM 1753 C THR A 111 -10.123 -3.293 -0.134 1.00 0.00 C ATOM 1754 O THR A 111 -10.510 -4.159 0.652 1.00 0.00 O ATOM 1755 CB THR A 111 -9.907 -3.357 -2.619 1.00 0.00 C ATOM 1756 OG1 THR A 111 -10.591 -3.178 -3.865 1.00 0.00 O ATOM 1757 CG2 THR A 111 -9.378 -4.780 -2.526 1.00 0.00 C ATOM 0 H THR A 111 -11.300 -1.258 -2.444 1.00 0.00 H new ATOM 0 HA THR A 111 -11.722 -3.711 -1.506 1.00 0.00 H new ATOM 0 HB THR A 111 -9.064 -2.668 -2.565 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.663 -2.221 -4.064 1.00 0.00 H new ATOM 0 HG21 THR A 111 -8.709 -4.975 -3.364 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.834 -4.905 -1.590 1.00 0.00 H new ATOM 0 HG23 THR A 111 -10.212 -5.481 -2.557 1.00 0.00 H new ATOM 1765 N ILE A 112 -9.063 -2.526 0.097 1.00 0.00 N ATOM 1766 CA ILE A 112 -8.276 -2.659 1.317 1.00 0.00 C ATOM 1767 C ILE A 112 -9.161 -2.565 2.555 1.00 0.00 C ATOM 1768 O ILE A 112 -9.272 -3.519 3.325 1.00 0.00 O ATOM 1769 CB ILE A 112 -7.180 -1.581 1.400 1.00 0.00 C ATOM 1770 CG1 ILE A 112 -6.309 -1.610 0.142 1.00 0.00 C ATOM 1771 CG2 ILE A 112 -6.329 -1.785 2.644 1.00 0.00 C ATOM 1772 CD1 ILE A 112 -5.731 -0.261 -0.224 1.00 0.00 C ATOM 0 H ILE A 112 -8.729 -1.806 -0.544 1.00 0.00 H new ATOM 0 HA ILE A 112 -7.806 -3.642 1.284 1.00 0.00 H new ATOM 0 HB ILE A 112 -7.657 -0.603 1.466 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.493 -2.317 0.291 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.903 -1.980 -0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -5.559 -1.015 2.688 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -6.959 -1.719 3.531 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -5.858 -2.767 2.606 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.125 -0.357 -1.125 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -6.541 0.445 -0.405 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.109 0.103 0.594 1.00 0.00 H new ATOM 1784 N GLN A 113 -9.790 -1.409 2.740 1.00 0.00 N ATOM 1785 CA GLN A 113 -10.667 -1.191 3.884 1.00 0.00 C ATOM 1786 C GLN A 113 -11.553 -2.407 4.131 1.00 0.00 C ATOM 1787 O GLN A 113 -11.750 -2.820 5.273 1.00 0.00 O ATOM 1788 CB GLN A 113 -11.534 0.049 3.661 1.00 0.00 C ATOM 1789 CG GLN A 113 -10.847 1.350 4.046 1.00 0.00 C ATOM 1790 CD GLN A 113 -11.830 2.472 4.312 1.00 0.00 C ATOM 1791 OE1 GLN A 113 -13.017 2.233 4.538 1.00 0.00 O ATOM 1792 NE2 GLN A 113 -11.341 3.707 4.288 1.00 0.00 N ATOM 0 H GLN A 113 -9.709 -0.609 2.112 1.00 0.00 H new ATOM 0 HA GLN A 113 -10.042 -1.035 4.763 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.822 0.097 2.611 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.453 -0.052 4.239 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -10.239 1.186 4.936 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -10.168 1.648 3.247 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -10.351 3.860 4.097 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -11.956 4.502 4.461 1.00 0.00 H new ATOM 1801 N GLU A 114 -12.083 -2.976 3.053 1.00 0.00 N ATOM 1802 CA GLU A 114 -12.949 -4.144 3.155 1.00 0.00 C ATOM 1803 C GLU A 114 -12.185 -5.340 3.716 1.00 0.00 C ATOM 1804 O GLU A 114 -12.676 -6.046 4.597 1.00 0.00 O ATOM 1805 CB GLU A 114 -13.532 -4.496 1.784 1.00 0.00 C ATOM 1806 CG GLU A 114 -14.506 -3.457 1.253 1.00 0.00 C ATOM 1807 CD GLU A 114 -15.832 -3.472 1.987 1.00 0.00 C ATOM 1808 OE1 GLU A 114 -16.675 -4.338 1.672 1.00 0.00 O ATOM 1809 OE2 GLU A 114 -16.028 -2.619 2.877 1.00 0.00 O ATOM 0 H GLU A 114 -11.928 -2.647 2.100 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.764 -3.902 3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -12.716 -4.615 1.071 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -14.040 -5.458 1.850 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -14.058 -2.467 1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -14.680 -3.636 0.192 1.00 0.00 H new ATOM 1816 N SER A 115 -10.981 -5.562 3.199 1.00 0.00 N ATOM 1817 CA SER A 115 -10.151 -6.674 3.645 1.00 0.00 C ATOM 1818 C SER A 115 -9.925 -6.614 5.152 1.00 0.00 C ATOM 1819 O SER A 115 -10.154 -7.590 5.865 1.00 0.00 O ATOM 1820 CB SER A 115 -8.806 -6.659 2.915 1.00 0.00 C ATOM 1821 OG SER A 115 -8.259 -7.963 2.826 1.00 0.00 O ATOM 0 H SER A 115 -10.559 -4.986 2.471 1.00 0.00 H new ATOM 0 HA SER A 115 -10.674 -7.601 3.411 1.00 0.00 H new ATOM 0 HB2 SER A 115 -8.936 -6.247 1.914 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.111 -6.005 3.441 1.00 0.00 H new ATOM 0 HG SER A 115 -7.302 -7.903 2.623 1.00 0.00 H new ATOM 1827 N SER A 116 -9.473 -5.459 5.631 1.00 0.00 N ATOM 1828 CA SER A 116 -9.212 -5.270 7.053 1.00 0.00 C ATOM 1829 C SER A 116 -10.508 -5.325 7.855 1.00 0.00 C ATOM 1830 O SER A 116 -10.609 -6.050 8.844 1.00 0.00 O ATOM 1831 CB SER A 116 -8.508 -3.933 7.290 1.00 0.00 C ATOM 1832 OG SER A 116 -8.816 -3.415 8.573 1.00 0.00 O ATOM 0 H SER A 116 -9.280 -4.640 5.055 1.00 0.00 H new ATOM 0 HA SER A 116 -8.563 -6.079 7.389 1.00 0.00 H new ATOM 0 HB2 SER A 116 -7.430 -4.064 7.197 1.00 0.00 H new ATOM 0 HB3 SER A 116 -8.810 -3.219 6.524 1.00 0.00 H new ATOM 0 HG SER A 116 -8.633 -2.452 8.590 1.00 0.00 H new ATOM 1838 N ASN A 117 -11.498 -4.551 7.421 1.00 0.00 N ATOM 1839 CA ASN A 117 -12.789 -4.510 8.098 1.00 0.00 C ATOM 1840 C ASN A 117 -13.414 -5.901 8.163 1.00 0.00 C ATOM 1841 O ASN A 117 -13.598 -6.559 7.138 1.00 0.00 O ATOM 1842 CB ASN A 117 -13.735 -3.546 7.380 1.00 0.00 C ATOM 1843 CG ASN A 117 -15.168 -3.677 7.859 1.00 0.00 C ATOM 1844 OD1 ASN A 117 -16.010 -4.268 7.181 1.00 0.00 O ATOM 1845 ND2 ASN A 117 -15.452 -3.125 9.033 1.00 0.00 N ATOM 0 H ASN A 117 -11.431 -3.944 6.604 1.00 0.00 H new ATOM 0 HA ASN A 117 -12.626 -4.157 9.116 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -13.394 -2.523 7.537 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -13.695 -3.734 6.307 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -16.399 -3.181 9.407 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -14.723 -2.645 9.561 1.00 0.00 H new