USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 553 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 17 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 19 ASN : amide:sc= -0.286 X(o=-0.29,f=-0.068) USER MOD Single : A 20 LYS NZ :NH3+ -121:sc= 0.118 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.033) USER MOD Single : A 30 THR OG1 : rot -98:sc= 1.05 USER MOD Single : A 31 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.078) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.00102 USER MOD Single : A 58 TYR OH : rot 62:sc= 0.841 USER MOD Single : A 60 GLN : amide:sc= -0.212 K(o=-0.21,f=-0.86) USER MOD Single : A 61 CYS SG : rot -140:sc= -0.156 USER MOD Single : A 65 LYS NZ :NH3+ 178:sc= 0.723 (180deg=0.721) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N PHE A 8 6.857 -3.553 1.239 1.00 0.00 N ATOM 69 CA PHE A 8 6.623 -2.384 2.079 1.00 0.00 C ATOM 70 C PHE A 8 5.864 -2.766 3.345 1.00 0.00 C ATOM 71 O PHE A 8 5.182 -3.792 3.387 1.00 0.00 O ATOM 72 CB PHE A 8 5.842 -1.322 1.304 1.00 0.00 C ATOM 73 CG PHE A 8 6.688 -0.539 0.340 1.00 0.00 C ATOM 74 CD1 PHE A 8 6.855 -0.973 -0.965 1.00 0.00 C ATOM 75 CD2 PHE A 8 7.315 0.630 0.738 1.00 0.00 C ATOM 76 CE1 PHE A 8 7.632 -0.256 -1.855 1.00 0.00 C ATOM 77 CE2 PHE A 8 8.094 1.352 -0.146 1.00 0.00 C ATOM 78 CZ PHE A 8 8.253 0.908 -1.445 1.00 0.00 C ATOM 0 HA PHE A 8 7.592 -1.976 2.367 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.033 -1.805 0.756 1.00 0.00 H new ATOM 0 HB3 PHE A 8 5.380 -0.634 2.012 1.00 0.00 H new ATOM 0 HD1 PHE A 8 6.372 -1.883 -1.291 1.00 0.00 H new ATOM 0 HD2 PHE A 8 7.194 0.982 1.752 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.754 -0.605 -2.870 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.578 2.262 0.178 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.861 1.470 -2.138 1.00 0.00 H new ATOM 88 N ARG A 9 5.985 -1.937 4.376 1.00 0.00 N ATOM 89 CA ARG A 9 5.310 -2.189 5.644 1.00 0.00 C ATOM 90 C ARG A 9 4.093 -1.281 5.802 1.00 0.00 C ATOM 91 O ARG A 9 3.972 -0.265 5.117 1.00 0.00 O ATOM 92 CB ARG A 9 6.275 -1.974 6.811 1.00 0.00 C ATOM 93 CG ARG A 9 7.152 -3.181 7.103 1.00 0.00 C ATOM 94 CD ARG A 9 6.620 -3.986 8.278 1.00 0.00 C ATOM 95 NE ARG A 9 7.284 -3.630 9.531 1.00 0.00 N ATOM 96 CZ ARG A 9 6.792 -3.909 10.736 1.00 0.00 C ATOM 97 NH1 ARG A 9 5.635 -4.547 10.856 1.00 0.00 N ATOM 98 NH2 ARG A 9 7.460 -3.550 11.823 1.00 0.00 N ATOM 0 H ARG A 9 6.544 -1.084 4.359 1.00 0.00 H new ATOM 0 HA ARG A 9 4.972 -3.225 5.647 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.912 -1.117 6.592 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.702 -1.726 7.705 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.204 -3.817 6.219 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.168 -2.850 7.318 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.547 -3.819 8.376 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.761 -5.049 8.082 1.00 0.00 H new ATOM 0 HE ARG A 9 8.177 -3.139 9.479 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.118 -4.826 10.022 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.263 -4.758 11.782 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.350 -3.060 11.736 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.084 -3.763 12.747 1.00 0.00 H new ATOM 112 N VAL A 10 3.197 -1.655 6.709 1.00 0.00 N ATOM 113 CA VAL A 10 1.990 -0.874 6.956 1.00 0.00 C ATOM 114 C VAL A 10 2.328 0.470 7.592 1.00 0.00 C ATOM 115 O VAL A 10 3.163 0.551 8.492 1.00 0.00 O ATOM 116 CB VAL A 10 1.009 -1.631 7.872 1.00 0.00 C ATOM 117 CG1 VAL A 10 -0.304 -0.873 7.993 1.00 0.00 C ATOM 118 CG2 VAL A 10 0.772 -3.041 7.354 1.00 0.00 C ATOM 0 H VAL A 10 3.283 -2.493 7.285 1.00 0.00 H new ATOM 0 HA VAL A 10 1.516 -0.707 5.989 1.00 0.00 H new ATOM 0 HB VAL A 10 1.453 -1.703 8.865 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.983 -1.424 8.644 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.117 0.114 8.416 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.754 -0.765 7.006 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.077 -3.559 8.014 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.352 -2.994 6.349 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.718 -3.582 7.326 1.00 0.00 H new ATOM 128 N GLY A 11 1.671 1.524 7.117 1.00 0.00 N ATOM 129 CA GLY A 11 1.916 2.851 7.651 1.00 0.00 C ATOM 130 C GLY A 11 2.882 3.652 6.799 1.00 0.00 C ATOM 131 O GLY A 11 2.839 4.882 6.789 1.00 0.00 O ATOM 0 H GLY A 11 0.974 1.483 6.373 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.971 3.389 7.726 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.314 2.764 8.662 1.00 0.00 H new ATOM 135 N GLU A 12 3.757 2.952 6.082 1.00 0.00 N ATOM 136 CA GLU A 12 4.737 3.607 5.224 1.00 0.00 C ATOM 137 C GLU A 12 4.070 4.202 3.989 1.00 0.00 C ATOM 138 O GLU A 12 2.983 3.781 3.594 1.00 0.00 O ATOM 139 CB GLU A 12 5.821 2.612 4.802 1.00 0.00 C ATOM 140 CG GLU A 12 6.745 2.201 5.937 1.00 0.00 C ATOM 141 CD GLU A 12 7.786 3.256 6.253 1.00 0.00 C ATOM 142 OE1 GLU A 12 7.432 4.455 6.267 1.00 0.00 O ATOM 143 OE2 GLU A 12 8.955 2.886 6.488 1.00 0.00 O ATOM 0 H GLU A 12 3.807 1.933 6.079 1.00 0.00 H new ATOM 0 HA GLU A 12 5.196 4.417 5.792 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.345 1.721 4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.416 3.053 4.002 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.152 2.003 6.830 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.246 1.269 5.674 1.00 0.00 H new ATOM 150 N ARG A 13 4.728 5.185 3.382 1.00 0.00 N ATOM 151 CA ARG A 13 4.198 5.839 2.192 1.00 0.00 C ATOM 152 C ARG A 13 4.815 5.249 0.928 1.00 0.00 C ATOM 153 O ARG A 13 6.021 5.010 0.868 1.00 0.00 O ATOM 154 CB ARG A 13 4.466 7.345 2.249 1.00 0.00 C ATOM 155 CG ARG A 13 3.494 8.167 1.418 1.00 0.00 C ATOM 156 CD ARG A 13 2.461 8.861 2.292 1.00 0.00 C ATOM 157 NE ARG A 13 2.940 10.148 2.789 1.00 0.00 N ATOM 158 CZ ARG A 13 2.972 11.260 2.058 1.00 0.00 C ATOM 159 NH1 ARG A 13 2.553 11.247 0.799 1.00 0.00 N ATOM 160 NH2 ARG A 13 3.423 12.389 2.588 1.00 0.00 N ATOM 0 H ARG A 13 5.629 5.546 3.695 1.00 0.00 H new ATOM 0 HA ARG A 13 3.122 5.670 2.164 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.415 7.676 3.286 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.481 7.538 1.903 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.045 8.912 0.843 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.989 7.520 0.701 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.545 9.011 1.721 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.209 8.218 3.135 1.00 0.00 H new ATOM 0 HE ARG A 13 3.269 10.198 3.753 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.204 10.382 0.387 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.580 12.102 0.244 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.745 12.405 3.556 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.448 13.241 2.028 1.00 0.00 H new ATOM 174 N VAL A 14 3.980 5.015 -0.078 1.00 0.00 N ATOM 175 CA VAL A 14 4.444 4.453 -1.341 1.00 0.00 C ATOM 176 C VAL A 14 3.946 5.274 -2.525 1.00 0.00 C ATOM 177 O VAL A 14 3.239 6.268 -2.351 1.00 0.00 O ATOM 178 CB VAL A 14 3.979 2.995 -1.512 1.00 0.00 C ATOM 179 CG1 VAL A 14 4.681 2.089 -0.513 1.00 0.00 C ATOM 180 CG2 VAL A 14 2.468 2.896 -1.365 1.00 0.00 C ATOM 0 H VAL A 14 2.979 5.206 -0.044 1.00 0.00 H new ATOM 0 HA VAL A 14 5.533 4.479 -1.316 1.00 0.00 H new ATOM 0 HB VAL A 14 4.245 2.663 -2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.339 1.063 -0.650 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.758 2.137 -0.673 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.450 2.417 0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.158 1.859 -1.489 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.175 3.247 -0.375 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.987 3.512 -2.125 1.00 0.00 H new ATOM 190 N TRP A 15 4.321 4.855 -3.729 1.00 0.00 N ATOM 191 CA TRP A 15 3.912 5.552 -4.943 1.00 0.00 C ATOM 192 C TRP A 15 3.567 4.560 -6.048 1.00 0.00 C ATOM 193 O TRP A 15 4.451 4.027 -6.718 1.00 0.00 O ATOM 194 CB TRP A 15 5.025 6.494 -5.412 1.00 0.00 C ATOM 195 CG TRP A 15 4.685 7.943 -5.244 1.00 0.00 C ATOM 196 CD1 TRP A 15 4.243 8.799 -6.211 1.00 0.00 C ATOM 197 CD2 TRP A 15 4.764 8.708 -4.035 1.00 0.00 C ATOM 198 NE1 TRP A 15 4.039 10.049 -5.677 1.00 0.00 N ATOM 199 CE2 TRP A 15 4.352 10.018 -4.343 1.00 0.00 C ATOM 200 CE3 TRP A 15 5.140 8.410 -2.722 1.00 0.00 C ATOM 201 CZ2 TRP A 15 4.308 11.029 -3.386 1.00 0.00 C ATOM 202 CZ3 TRP A 15 5.096 9.414 -1.773 1.00 0.00 C ATOM 203 CH2 TRP A 15 4.682 10.709 -2.109 1.00 0.00 C ATOM 0 H TRP A 15 4.907 4.036 -3.890 1.00 0.00 H new ATOM 0 HA TRP A 15 3.021 6.138 -4.716 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.936 6.275 -4.855 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.239 6.298 -6.463 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.078 8.533 -7.245 1.00 0.00 H new ATOM 0 HE1 TRP A 15 3.709 10.866 -6.190 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.459 7.414 -2.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 3.990 12.029 -3.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.386 9.196 -0.756 1.00 0.00 H new ATOM 0 HH2 TRP A 15 4.657 11.471 -1.344 1.00 0.00 H new ATOM 214 N VAL A 16 2.273 4.318 -6.235 1.00 0.00 N ATOM 215 CA VAL A 16 1.811 3.390 -7.262 1.00 0.00 C ATOM 216 C VAL A 16 2.032 3.967 -8.656 1.00 0.00 C ATOM 217 O VAL A 16 1.702 5.123 -8.920 1.00 0.00 O ATOM 218 CB VAL A 16 0.319 3.052 -7.087 1.00 0.00 C ATOM 219 CG1 VAL A 16 -0.088 1.928 -8.026 1.00 0.00 C ATOM 220 CG2 VAL A 16 0.021 2.684 -5.641 1.00 0.00 C ATOM 0 H VAL A 16 1.527 4.751 -5.690 1.00 0.00 H new ATOM 0 HA VAL A 16 2.394 2.476 -7.151 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.267 3.935 -7.341 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.146 1.703 -7.888 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.086 2.235 -9.057 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.503 1.039 -7.807 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.038 2.448 -5.536 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.616 1.816 -5.356 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.272 3.524 -4.993 1.00 0.00 H new ATOM 230 N ASN A 17 2.594 3.154 -9.545 1.00 0.00 N ATOM 231 CA ASN A 17 2.860 3.586 -10.912 1.00 0.00 C ATOM 232 C ASN A 17 3.741 4.834 -10.931 1.00 0.00 C ATOM 233 O ASN A 17 3.747 5.586 -11.907 1.00 0.00 O ATOM 234 CB ASN A 17 1.547 3.864 -11.647 1.00 0.00 C ATOM 235 CG ASN A 17 1.045 2.655 -12.411 1.00 0.00 C ATOM 236 OD1 ASN A 17 1.228 1.515 -11.983 1.00 0.00 O ATOM 237 ND2 ASN A 17 0.409 2.899 -13.552 1.00 0.00 N ATOM 0 H ASN A 17 2.874 2.194 -9.343 1.00 0.00 H new ATOM 0 HA ASN A 17 3.391 2.782 -11.421 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.790 4.176 -10.927 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.690 4.694 -12.339 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.050 2.125 -14.111 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.280 3.860 -13.868 1.00 0.00 H new ATOM 244 N GLY A 18 4.485 5.049 -9.849 1.00 0.00 N ATOM 245 CA GLY A 18 5.358 6.205 -9.764 1.00 0.00 C ATOM 246 C GLY A 18 4.617 7.514 -9.961 1.00 0.00 C ATOM 247 O GLY A 18 5.141 8.442 -10.578 1.00 0.00 O ATOM 0 H GLY A 18 4.498 4.442 -9.029 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.849 6.213 -8.791 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.142 6.119 -10.516 1.00 0.00 H new ATOM 251 N ASN A 19 3.398 7.591 -9.437 1.00 0.00 N ATOM 252 CA ASN A 19 2.589 8.800 -9.561 1.00 0.00 C ATOM 253 C ASN A 19 1.248 8.641 -8.849 1.00 0.00 C ATOM 254 O ASN A 19 0.217 9.104 -9.337 1.00 0.00 O ATOM 255 CB ASN A 19 2.359 9.136 -11.036 1.00 0.00 C ATOM 256 CG ASN A 19 2.328 10.630 -11.291 1.00 0.00 C ATOM 257 OD1 ASN A 19 1.390 11.148 -11.896 1.00 0.00 O ATOM 258 ND2 ASN A 19 3.358 11.330 -10.829 1.00 0.00 N ATOM 0 H ASN A 19 2.949 6.833 -8.923 1.00 0.00 H new ATOM 0 HA ASN A 19 3.133 9.617 -9.088 1.00 0.00 H new ATOM 0 HB2 ASN A 19 3.149 8.684 -11.636 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.418 8.695 -11.364 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.393 12.340 -10.970 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.114 10.858 -10.333 1.00 0.00 H new ATOM 265 N LYS A 20 1.267 7.984 -7.693 1.00 0.00 N ATOM 266 CA LYS A 20 0.051 7.768 -6.918 1.00 0.00 C ATOM 267 C LYS A 20 0.380 7.465 -5.458 1.00 0.00 C ATOM 268 O LYS A 20 0.517 6.304 -5.073 1.00 0.00 O ATOM 269 CB LYS A 20 -0.765 6.620 -7.517 1.00 0.00 C ATOM 270 CG LYS A 20 -1.606 7.030 -8.715 1.00 0.00 C ATOM 271 CD LYS A 20 -2.608 5.949 -9.086 1.00 0.00 C ATOM 272 CE LYS A 20 -3.762 6.514 -9.899 1.00 0.00 C ATOM 273 NZ LYS A 20 -4.988 5.679 -9.779 1.00 0.00 N ATOM 0 H LYS A 20 2.110 7.593 -7.273 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.540 8.683 -6.956 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.087 5.821 -7.816 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.419 6.211 -6.747 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.135 7.956 -8.490 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.955 7.233 -9.566 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.107 5.168 -9.658 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.994 5.483 -8.180 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.980 7.528 -9.564 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.469 6.580 -10.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.275 5.346 -10.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.792 4.861 -9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.755 6.246 -9.364 1.00 0.00 H new ATOM 287 N PRO A 21 0.507 8.510 -4.622 1.00 0.00 N ATOM 288 CA PRO A 21 0.818 8.348 -3.199 1.00 0.00 C ATOM 289 C PRO A 21 -0.334 7.721 -2.422 1.00 0.00 C ATOM 290 O PRO A 21 -1.494 7.826 -2.822 1.00 0.00 O ATOM 291 CB PRO A 21 1.068 9.780 -2.721 1.00 0.00 C ATOM 292 CG PRO A 21 0.305 10.636 -3.672 1.00 0.00 C ATOM 293 CD PRO A 21 0.357 9.928 -4.998 1.00 0.00 C ATOM 0 HA PRO A 21 1.665 7.680 -3.042 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.723 9.921 -1.697 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.131 10.022 -2.735 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.725 10.767 -3.339 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.746 11.630 -3.743 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.550 10.096 -5.579 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.193 10.273 -5.606 1.00 0.00 H new ATOM 301 N GLY A 22 -0.009 7.071 -1.310 1.00 0.00 N ATOM 302 CA GLY A 22 -1.030 6.438 -0.495 1.00 0.00 C ATOM 303 C GLY A 22 -0.443 5.645 0.657 1.00 0.00 C ATOM 304 O GLY A 22 0.607 5.017 0.514 1.00 0.00 O ATOM 0 H GLY A 22 0.943 6.971 -0.958 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.702 7.201 -0.102 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.630 5.776 -1.119 1.00 0.00 H new ATOM 308 N PHE A 23 -1.122 5.673 1.799 1.00 0.00 N ATOM 309 CA PHE A 23 -0.661 4.950 2.979 1.00 0.00 C ATOM 310 C PHE A 23 -1.090 3.487 2.922 1.00 0.00 C ATOM 311 O PHE A 23 -2.229 3.177 2.572 1.00 0.00 O ATOM 312 CB PHE A 23 -1.207 5.605 4.249 1.00 0.00 C ATOM 313 CG PHE A 23 -0.521 6.893 4.603 1.00 0.00 C ATOM 314 CD1 PHE A 23 -0.845 8.069 3.946 1.00 0.00 C ATOM 315 CD2 PHE A 23 0.450 6.928 5.591 1.00 0.00 C ATOM 316 CE1 PHE A 23 -0.215 9.256 4.269 1.00 0.00 C ATOM 317 CE2 PHE A 23 1.084 8.112 5.919 1.00 0.00 C ATOM 318 CZ PHE A 23 0.751 9.278 5.258 1.00 0.00 C ATOM 0 H PHE A 23 -1.992 6.188 1.933 1.00 0.00 H new ATOM 0 HA PHE A 23 0.428 4.990 2.997 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.273 5.794 4.121 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.104 4.908 5.081 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.599 8.058 3.172 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.715 6.019 6.111 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.477 10.166 3.749 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.839 8.125 6.691 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.244 10.205 5.513 1.00 0.00 H new ATOM 328 N ILE A 24 -0.170 2.593 3.270 1.00 0.00 N ATOM 329 CA ILE A 24 -0.453 1.162 3.259 1.00 0.00 C ATOM 330 C ILE A 24 -1.185 0.737 4.527 1.00 0.00 C ATOM 331 O ILE A 24 -0.681 0.916 5.636 1.00 0.00 O ATOM 332 CB ILE A 24 0.838 0.335 3.122 1.00 0.00 C ATOM 333 CG1 ILE A 24 1.691 0.866 1.968 1.00 0.00 C ATOM 334 CG2 ILE A 24 0.508 -1.135 2.911 1.00 0.00 C ATOM 335 CD1 ILE A 24 3.053 0.214 1.873 1.00 0.00 C ATOM 0 H ILE A 24 0.777 2.834 3.563 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.089 0.972 2.395 1.00 0.00 H new ATOM 0 HB ILE A 24 1.410 0.429 4.045 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.157 0.711 1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.820 1.942 2.087 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.432 -1.705 2.816 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.062 -1.506 3.763 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.083 -1.248 2.002 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.602 0.639 1.033 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.606 0.391 2.795 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.933 -0.859 1.722 1.00 0.00 H new ATOM 347 N GLN A 25 -2.376 0.171 4.356 1.00 0.00 N ATOM 348 CA GLN A 25 -3.177 -0.281 5.487 1.00 0.00 C ATOM 349 C GLN A 25 -3.275 -1.803 5.509 1.00 0.00 C ATOM 350 O GLN A 25 -3.069 -2.432 6.546 1.00 0.00 O ATOM 351 CB GLN A 25 -4.578 0.331 5.423 1.00 0.00 C ATOM 352 CG GLN A 25 -4.613 1.808 5.779 1.00 0.00 C ATOM 353 CD GLN A 25 -4.480 2.052 7.270 1.00 0.00 C ATOM 354 OE1 GLN A 25 -5.475 2.182 7.980 1.00 0.00 O ATOM 355 NE2 GLN A 25 -3.243 2.115 7.749 1.00 0.00 N ATOM 0 H GLN A 25 -2.807 0.015 3.445 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.686 0.047 6.403 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.978 0.198 4.418 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.235 -0.213 6.102 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.806 2.323 5.257 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.549 2.241 5.426 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.447 2.001 7.122 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.089 2.277 8.744 1.00 0.00 H new ATOM 364 N PHE A 26 -3.591 -2.388 4.358 1.00 0.00 N ATOM 365 CA PHE A 26 -3.717 -3.837 4.245 1.00 0.00 C ATOM 366 C PHE A 26 -2.574 -4.419 3.420 1.00 0.00 C ATOM 367 O PHE A 26 -2.248 -3.910 2.348 1.00 0.00 O ATOM 368 CB PHE A 26 -5.060 -4.205 3.612 1.00 0.00 C ATOM 369 CG PHE A 26 -5.445 -5.643 3.817 1.00 0.00 C ATOM 370 CD1 PHE A 26 -5.044 -6.616 2.916 1.00 0.00 C ATOM 371 CD2 PHE A 26 -6.209 -6.019 4.910 1.00 0.00 C ATOM 372 CE1 PHE A 26 -5.397 -7.939 3.103 1.00 0.00 C ATOM 373 CE2 PHE A 26 -6.566 -7.340 5.101 1.00 0.00 C ATOM 374 CZ PHE A 26 -6.159 -8.301 4.197 1.00 0.00 C ATOM 0 H PHE A 26 -3.765 -1.881 3.490 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.669 -4.261 5.248 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.837 -3.566 4.031 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.018 -3.997 2.543 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.449 -6.338 2.059 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.529 -5.271 5.621 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.078 -8.689 2.395 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -7.163 -7.621 5.956 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.436 -9.334 4.345 1.00 0.00 H new ATOM 384 N LEU A 27 -1.971 -5.489 3.926 1.00 0.00 N ATOM 385 CA LEU A 27 -0.864 -6.142 3.236 1.00 0.00 C ATOM 386 C LEU A 27 -1.071 -7.652 3.181 1.00 0.00 C ATOM 387 O LEU A 27 -1.267 -8.299 4.210 1.00 0.00 O ATOM 388 CB LEU A 27 0.459 -5.822 3.934 1.00 0.00 C ATOM 389 CG LEU A 27 1.040 -4.442 3.623 1.00 0.00 C ATOM 390 CD1 LEU A 27 2.375 -4.255 4.327 1.00 0.00 C ATOM 391 CD2 LEU A 27 1.196 -4.257 2.121 1.00 0.00 C ATOM 0 H LEU A 27 -2.230 -5.923 4.812 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.830 -5.761 2.215 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.312 -5.903 5.011 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.192 -6.579 3.654 1.00 0.00 H new ATOM 0 HG LEU A 27 0.349 -3.685 3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.774 -3.268 4.094 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.234 -4.345 5.404 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.075 -5.018 3.988 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.611 -3.270 1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.867 -5.021 1.728 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.222 -4.348 1.640 1.00 0.00 H new ATOM 403 N GLY A 28 -1.024 -8.207 1.974 1.00 0.00 N ATOM 404 CA GLY A 28 -1.207 -9.638 1.809 1.00 0.00 C ATOM 405 C GLY A 28 -2.139 -9.976 0.662 1.00 0.00 C ATOM 406 O GLY A 28 -2.737 -9.086 0.057 1.00 0.00 O ATOM 0 H GLY A 28 -0.863 -7.692 1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.238 -10.107 1.636 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.605 -10.059 2.732 1.00 0.00 H new ATOM 410 N GLU A 29 -2.263 -11.264 0.364 1.00 0.00 N ATOM 411 CA GLU A 29 -3.129 -11.719 -0.718 1.00 0.00 C ATOM 412 C GLU A 29 -4.583 -11.351 -0.440 1.00 0.00 C ATOM 413 O GLU A 29 -4.957 -11.074 0.699 1.00 0.00 O ATOM 414 CB GLU A 29 -2.999 -13.232 -0.902 1.00 0.00 C ATOM 415 CG GLU A 29 -3.214 -14.022 0.379 1.00 0.00 C ATOM 416 CD GLU A 29 -4.576 -14.686 0.431 1.00 0.00 C ATOM 417 OE1 GLU A 29 -5.581 -14.001 0.147 1.00 0.00 O ATOM 418 OE2 GLU A 29 -4.638 -15.888 0.758 1.00 0.00 O ATOM 0 H GLU A 29 -1.775 -12.012 0.856 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.816 -11.221 -1.636 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.722 -13.562 -1.648 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.008 -13.458 -1.296 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.439 -14.783 0.467 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.105 -13.356 1.235 1.00 0.00 H new ATOM 425 N THR A 30 -5.399 -11.352 -1.490 1.00 0.00 N ATOM 426 CA THR A 30 -6.812 -11.018 -1.359 1.00 0.00 C ATOM 427 C THR A 30 -7.690 -12.213 -1.715 1.00 0.00 C ATOM 428 O THR A 30 -7.207 -13.219 -2.233 1.00 0.00 O ATOM 429 CB THR A 30 -7.161 -9.828 -2.255 1.00 0.00 C ATOM 430 OG1 THR A 30 -6.701 -10.045 -3.577 1.00 0.00 O ATOM 431 CG2 THR A 30 -6.573 -8.521 -1.772 1.00 0.00 C ATOM 0 H THR A 30 -5.106 -11.580 -2.440 1.00 0.00 H new ATOM 0 HA THR A 30 -7.001 -10.749 -0.320 1.00 0.00 H new ATOM 0 HB THR A 30 -8.248 -9.751 -2.222 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.844 -9.588 -3.704 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.859 -7.720 -2.453 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.949 -8.300 -0.773 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.486 -8.600 -1.741 1.00 0.00 H new ATOM 439 N GLN A 31 -8.984 -12.095 -1.431 1.00 0.00 N ATOM 440 CA GLN A 31 -9.931 -13.166 -1.720 1.00 0.00 C ATOM 441 C GLN A 31 -10.452 -13.059 -3.150 1.00 0.00 C ATOM 442 O GLN A 31 -10.540 -14.057 -3.865 1.00 0.00 O ATOM 443 CB GLN A 31 -11.099 -13.121 -0.734 1.00 0.00 C ATOM 444 CG GLN A 31 -10.738 -13.609 0.659 1.00 0.00 C ATOM 445 CD GLN A 31 -11.810 -14.498 1.261 1.00 0.00 C ATOM 446 OE1 GLN A 31 -12.254 -14.276 2.388 1.00 0.00 O ATOM 447 NE2 GLN A 31 -12.229 -15.511 0.512 1.00 0.00 N ATOM 0 H GLN A 31 -9.400 -11.269 -1.001 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.411 -14.118 -1.612 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.468 -12.098 -0.667 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.916 -13.729 -1.123 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.798 -14.159 0.615 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.575 -12.750 1.310 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.833 -15.657 -0.416 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.947 -16.143 0.865 1.00 0.00 H new ATOM 456 N PHE A 32 -10.799 -11.843 -3.560 1.00 0.00 N ATOM 457 CA PHE A 32 -11.312 -11.607 -4.904 1.00 0.00 C ATOM 458 C PHE A 32 -10.294 -12.031 -5.958 1.00 0.00 C ATOM 459 O PHE A 32 -10.660 -12.453 -7.054 1.00 0.00 O ATOM 460 CB PHE A 32 -11.667 -10.131 -5.085 1.00 0.00 C ATOM 461 CG PHE A 32 -10.512 -9.201 -4.848 1.00 0.00 C ATOM 462 CD1 PHE A 32 -9.587 -8.956 -5.850 1.00 0.00 C ATOM 463 CD2 PHE A 32 -10.351 -8.571 -3.624 1.00 0.00 C ATOM 464 CE1 PHE A 32 -8.523 -8.100 -5.635 1.00 0.00 C ATOM 465 CE2 PHE A 32 -9.290 -7.716 -3.403 1.00 0.00 C ATOM 466 CZ PHE A 32 -8.374 -7.479 -4.410 1.00 0.00 C ATOM 0 H PHE A 32 -10.734 -11.006 -2.980 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.212 -12.208 -5.033 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -12.044 -9.978 -6.096 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.476 -9.874 -4.401 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.698 -9.439 -6.810 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.064 -8.751 -2.833 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.809 -7.917 -6.424 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.176 -7.233 -2.444 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.544 -6.810 -4.240 1.00 0.00 H new ATOM 476 N ALA A 33 -9.014 -11.916 -5.618 1.00 0.00 N ATOM 477 CA ALA A 33 -7.943 -12.288 -6.535 1.00 0.00 C ATOM 478 C ALA A 33 -6.748 -12.865 -5.779 1.00 0.00 C ATOM 479 O ALA A 33 -6.412 -12.401 -4.689 1.00 0.00 O ATOM 480 CB ALA A 33 -7.517 -11.086 -7.363 1.00 0.00 C ATOM 0 H ALA A 33 -8.694 -11.568 -4.714 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.322 -13.060 -7.205 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.717 -11.378 -8.043 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.368 -10.721 -7.939 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.161 -10.296 -6.701 1.00 0.00 H new ATOM 486 N PRO A 34 -6.088 -13.889 -6.349 1.00 0.00 N ATOM 487 CA PRO A 34 -4.927 -14.525 -5.720 1.00 0.00 C ATOM 488 C PRO A 34 -3.676 -13.656 -5.799 1.00 0.00 C ATOM 489 O PRO A 34 -3.720 -12.529 -6.292 1.00 0.00 O ATOM 490 CB PRO A 34 -4.742 -15.803 -6.537 1.00 0.00 C ATOM 491 CG PRO A 34 -5.286 -15.469 -7.882 1.00 0.00 C ATOM 492 CD PRO A 34 -6.419 -14.507 -7.647 1.00 0.00 C ATOM 0 HA PRO A 34 -5.083 -14.700 -4.656 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.692 -16.089 -6.594 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.277 -16.641 -6.090 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.518 -15.020 -8.512 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.636 -16.365 -8.394 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.483 -13.762 -8.440 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.380 -15.020 -7.613 1.00 0.00 H new ATOM 500 N GLY A 35 -2.560 -14.189 -5.311 1.00 0.00 N ATOM 501 CA GLY A 35 -1.312 -13.449 -5.337 1.00 0.00 C ATOM 502 C GLY A 35 -1.249 -12.377 -4.268 1.00 0.00 C ATOM 503 O GLY A 35 -2.259 -12.053 -3.643 1.00 0.00 O ATOM 0 H GLY A 35 -2.498 -15.120 -4.898 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.481 -14.141 -5.202 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.187 -12.988 -6.317 1.00 0.00 H new ATOM 507 N GLN A 36 -0.059 -11.824 -4.056 1.00 0.00 N ATOM 508 CA GLN A 36 0.133 -10.781 -3.056 1.00 0.00 C ATOM 509 C GLN A 36 -0.585 -9.498 -3.461 1.00 0.00 C ATOM 510 O GLN A 36 -0.908 -9.299 -4.633 1.00 0.00 O ATOM 511 CB GLN A 36 1.625 -10.503 -2.859 1.00 0.00 C ATOM 512 CG GLN A 36 2.359 -11.616 -2.128 1.00 0.00 C ATOM 513 CD GLN A 36 2.452 -11.369 -0.635 1.00 0.00 C ATOM 514 OE1 GLN A 36 3.050 -10.389 -0.191 1.00 0.00 O ATOM 515 NE2 GLN A 36 1.860 -12.262 0.150 1.00 0.00 N ATOM 0 H GLN A 36 0.787 -12.081 -4.564 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.292 -11.132 -2.116 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.090 -10.351 -3.833 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.743 -9.574 -2.301 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.847 -12.562 -2.305 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.363 -11.716 -2.540 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.375 -13.060 -0.261 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.890 -12.150 1.163 1.00 0.00 H new ATOM 524 N TRP A 37 -0.834 -8.631 -2.485 1.00 0.00 N ATOM 525 CA TRP A 37 -1.514 -7.367 -2.741 1.00 0.00 C ATOM 526 C TRP A 37 -1.160 -6.334 -1.675 1.00 0.00 C ATOM 527 O TRP A 37 -0.452 -6.636 -0.714 1.00 0.00 O ATOM 528 CB TRP A 37 -3.028 -7.578 -2.780 1.00 0.00 C ATOM 529 CG TRP A 37 -3.493 -8.318 -3.997 1.00 0.00 C ATOM 530 CD1 TRP A 37 -3.795 -9.647 -4.082 1.00 0.00 C ATOM 531 CD2 TRP A 37 -3.709 -7.773 -5.303 1.00 0.00 C ATOM 532 NE1 TRP A 37 -4.185 -9.961 -5.361 1.00 0.00 N ATOM 533 CE2 TRP A 37 -4.140 -8.828 -6.130 1.00 0.00 C ATOM 534 CE3 TRP A 37 -3.580 -6.495 -5.854 1.00 0.00 C ATOM 535 CZ2 TRP A 37 -4.443 -8.642 -7.476 1.00 0.00 C ATOM 536 CZ3 TRP A 37 -3.881 -6.312 -7.191 1.00 0.00 C ATOM 537 CH2 TRP A 37 -4.308 -7.381 -7.989 1.00 0.00 C ATOM 0 H TRP A 37 -0.575 -8.781 -1.510 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.181 -6.993 -3.709 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.334 -8.128 -1.890 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.524 -6.608 -2.742 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -3.736 -10.349 -3.263 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -4.463 -10.887 -5.686 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.251 -5.665 -5.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.773 -9.464 -8.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.785 -5.329 -7.627 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.535 -7.206 -9.030 1.00 0.00 H new ATOM 548 N ALA A 38 -1.658 -5.114 -1.852 1.00 0.00 N ATOM 549 CA ALA A 38 -1.394 -4.037 -0.906 1.00 0.00 C ATOM 550 C ALA A 38 -2.484 -2.974 -0.967 1.00 0.00 C ATOM 551 O ALA A 38 -2.580 -2.224 -1.939 1.00 0.00 O ATOM 552 CB ALA A 38 -0.032 -3.417 -1.181 1.00 0.00 C ATOM 0 H ALA A 38 -2.246 -4.847 -2.642 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.392 -4.460 0.099 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.153 -2.614 -0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.742 -4.178 -1.079 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.013 -3.014 -2.194 1.00 0.00 H new ATOM 558 N GLY A 39 -3.303 -2.913 0.078 1.00 0.00 N ATOM 559 CA GLY A 39 -4.377 -1.937 0.123 1.00 0.00 C ATOM 560 C GLY A 39 -3.880 -0.545 0.460 1.00 0.00 C ATOM 561 O GLY A 39 -3.898 -0.136 1.621 1.00 0.00 O ATOM 0 H GLY A 39 -3.242 -3.522 0.894 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.885 -1.915 -0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.114 -2.246 0.864 1.00 0.00 H new ATOM 565 N ILE A 40 -3.434 0.185 -0.558 1.00 0.00 N ATOM 566 CA ILE A 40 -2.930 1.539 -0.364 1.00 0.00 C ATOM 567 C ILE A 40 -4.074 2.546 -0.300 1.00 0.00 C ATOM 568 O ILE A 40 -5.022 2.472 -1.081 1.00 0.00 O ATOM 569 CB ILE A 40 -1.963 1.946 -1.493 1.00 0.00 C ATOM 570 CG1 ILE A 40 -0.895 0.869 -1.698 1.00 0.00 C ATOM 571 CG2 ILE A 40 -1.316 3.288 -1.179 1.00 0.00 C ATOM 572 CD1 ILE A 40 -0.628 0.552 -3.153 1.00 0.00 C ATOM 0 H ILE A 40 -3.412 -0.139 -1.525 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.391 1.544 0.584 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.532 2.045 -2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.033 1.196 -1.229 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.207 -0.042 -1.187 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.636 3.562 -1.986 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.089 4.051 -1.082 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.760 3.214 -0.245 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.139 -0.219 -3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.545 0.195 -3.622 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.286 1.452 -3.664 1.00 0.00 H new ATOM 584 N VAL A 41 -3.976 3.487 0.633 1.00 0.00 N ATOM 585 CA VAL A 41 -5.001 4.509 0.798 1.00 0.00 C ATOM 586 C VAL A 41 -4.590 5.813 0.124 1.00 0.00 C ATOM 587 O VAL A 41 -3.702 6.519 0.603 1.00 0.00 O ATOM 588 CB VAL A 41 -5.289 4.782 2.288 1.00 0.00 C ATOM 589 CG1 VAL A 41 -6.464 5.736 2.441 1.00 0.00 C ATOM 590 CG2 VAL A 41 -5.549 3.480 3.030 1.00 0.00 C ATOM 0 H VAL A 41 -3.196 3.562 1.286 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.906 4.128 0.325 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.410 5.254 2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.651 5.916 3.500 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.233 6.680 1.948 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.351 5.296 1.985 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.750 3.693 4.080 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.410 2.976 2.591 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.673 2.836 2.952 1.00 0.00 H new ATOM 600 N LEU A 42 -5.239 6.127 -0.992 1.00 0.00 N ATOM 601 CA LEU A 42 -4.941 7.347 -1.734 1.00 0.00 C ATOM 602 C LEU A 42 -5.518 8.568 -1.026 1.00 0.00 C ATOM 603 O LEU A 42 -6.622 8.520 -0.483 1.00 0.00 O ATOM 604 CB LEU A 42 -5.500 7.256 -3.155 1.00 0.00 C ATOM 605 CG LEU A 42 -5.092 6.002 -3.931 1.00 0.00 C ATOM 606 CD1 LEU A 42 -6.129 5.671 -4.993 1.00 0.00 C ATOM 607 CD2 LEU A 42 -3.722 6.191 -4.565 1.00 0.00 C ATOM 0 H LEU A 42 -5.975 5.553 -1.403 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.858 7.456 -1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.588 7.296 -3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.174 8.133 -3.714 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.037 5.167 -3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.822 4.776 -5.535 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.094 5.494 -4.517 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.216 6.505 -5.689 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.447 5.290 -5.113 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.752 7.038 -5.251 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.984 6.381 -3.786 1.00 0.00 H new ATOM 619 N ASP A 43 -4.764 9.664 -1.036 1.00 0.00 N ATOM 620 CA ASP A 43 -5.202 10.897 -0.395 1.00 0.00 C ATOM 621 C ASP A 43 -6.371 11.520 -1.151 1.00 0.00 C ATOM 622 O ASP A 43 -7.326 12.006 -0.546 1.00 0.00 O ATOM 623 CB ASP A 43 -4.043 11.893 -0.315 1.00 0.00 C ATOM 624 CG ASP A 43 -4.349 13.065 0.598 1.00 0.00 C ATOM 625 OD1 ASP A 43 -4.267 12.892 1.832 1.00 0.00 O ATOM 626 OD2 ASP A 43 -4.668 14.154 0.078 1.00 0.00 O ATOM 0 H ASP A 43 -3.848 9.722 -1.481 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.535 10.654 0.614 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -3.151 11.380 0.044 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.817 12.264 -1.315 1.00 0.00 H new ATOM 631 N GLU A 44 -6.288 11.502 -2.477 1.00 0.00 N ATOM 632 CA GLU A 44 -7.339 12.065 -3.317 1.00 0.00 C ATOM 633 C GLU A 44 -8.260 10.968 -3.846 1.00 0.00 C ATOM 634 O GLU A 44 -7.831 9.833 -4.056 1.00 0.00 O ATOM 635 CB GLU A 44 -6.727 12.840 -4.484 1.00 0.00 C ATOM 636 CG GLU A 44 -6.180 14.201 -4.091 1.00 0.00 C ATOM 637 CD GLU A 44 -5.215 14.761 -5.118 1.00 0.00 C ATOM 638 OE1 GLU A 44 -4.106 14.202 -5.257 1.00 0.00 O ATOM 639 OE2 GLU A 44 -5.567 15.758 -5.783 1.00 0.00 O ATOM 0 H GLU A 44 -5.504 11.104 -2.993 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.931 12.748 -2.707 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.923 12.247 -4.921 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.483 12.972 -5.258 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.008 14.897 -3.959 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.674 14.121 -3.129 1.00 0.00 H new ATOM 646 N PRO A 45 -9.545 11.293 -4.067 1.00 0.00 N ATOM 647 CA PRO A 45 -10.528 10.330 -4.574 1.00 0.00 C ATOM 648 C PRO A 45 -10.280 9.964 -6.033 1.00 0.00 C ATOM 649 O PRO A 45 -11.113 10.226 -6.902 1.00 0.00 O ATOM 650 CB PRO A 45 -11.860 11.068 -4.424 1.00 0.00 C ATOM 651 CG PRO A 45 -11.499 12.513 -4.477 1.00 0.00 C ATOM 652 CD PRO A 45 -10.141 12.624 -3.842 1.00 0.00 C ATOM 0 HA PRO A 45 -10.488 9.384 -4.034 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -12.552 10.803 -5.223 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.349 10.816 -3.483 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.479 12.873 -5.506 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.231 13.118 -3.942 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.546 13.413 -4.302 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.213 12.857 -2.780 1.00 0.00 H new ATOM 660 N ILE A 46 -9.129 9.354 -6.298 1.00 0.00 N ATOM 661 CA ILE A 46 -8.770 8.952 -7.652 1.00 0.00 C ATOM 662 C ILE A 46 -8.474 7.458 -7.721 1.00 0.00 C ATOM 663 O ILE A 46 -7.657 7.014 -8.529 1.00 0.00 O ATOM 664 CB ILE A 46 -7.543 9.731 -8.164 1.00 0.00 C ATOM 665 CG1 ILE A 46 -6.426 9.711 -7.120 1.00 0.00 C ATOM 666 CG2 ILE A 46 -7.930 11.162 -8.507 1.00 0.00 C ATOM 667 CD1 ILE A 46 -5.043 9.563 -7.717 1.00 0.00 C ATOM 0 H ILE A 46 -8.429 9.127 -5.592 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.626 9.180 -8.287 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.176 9.247 -9.069 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.466 10.633 -6.540 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.603 8.889 -6.426 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -7.053 11.700 -8.867 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.696 11.156 -9.283 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -8.319 11.657 -7.617 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.301 9.557 -6.919 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.985 8.628 -8.274 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.846 10.398 -8.389 1.00 0.00 H new ATOM 679 N GLY A 47 -9.143 6.687 -6.870 1.00 0.00 N ATOM 680 CA GLY A 47 -8.938 5.251 -6.851 1.00 0.00 C ATOM 681 C GLY A 47 -10.065 4.495 -7.523 1.00 0.00 C ATOM 682 O GLY A 47 -10.606 4.943 -8.536 1.00 0.00 O ATOM 0 H GLY A 47 -9.824 7.031 -6.193 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.998 5.015 -7.350 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.844 4.914 -5.819 1.00 0.00 H new ATOM 686 N LYS A 48 -10.422 3.345 -6.961 1.00 0.00 N ATOM 687 CA LYS A 48 -11.495 2.525 -7.513 1.00 0.00 C ATOM 688 C LYS A 48 -12.441 2.056 -6.413 1.00 0.00 C ATOM 689 O LYS A 48 -13.662 2.144 -6.551 1.00 0.00 O ATOM 690 CB LYS A 48 -10.913 1.316 -8.249 1.00 0.00 C ATOM 691 CG LYS A 48 -10.202 1.678 -9.543 1.00 0.00 C ATOM 692 CD LYS A 48 -9.980 0.454 -10.417 1.00 0.00 C ATOM 693 CE LYS A 48 -8.618 0.492 -11.094 1.00 0.00 C ATOM 694 NZ LYS A 48 -8.698 0.082 -12.524 1.00 0.00 N ATOM 0 H LYS A 48 -9.984 2.960 -6.124 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.059 3.135 -8.218 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.213 0.802 -7.590 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.717 0.614 -8.470 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.791 2.415 -10.089 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.243 2.142 -9.315 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.061 -0.448 -9.810 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.762 0.399 -11.174 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.207 1.499 -11.027 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.931 -0.168 -10.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.750 0.121 -12.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.066 -0.889 -12.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.334 0.727 -13.035 1.00 0.00 H new ATOM 708 N ASN A 49 -11.872 1.560 -5.320 1.00 0.00 N ATOM 709 CA ASN A 49 -12.665 1.078 -4.195 1.00 0.00 C ATOM 710 C ASN A 49 -12.605 2.058 -3.027 1.00 0.00 C ATOM 711 O ASN A 49 -11.980 3.114 -3.124 1.00 0.00 O ATOM 712 CB ASN A 49 -12.171 -0.298 -3.747 1.00 0.00 C ATOM 713 CG ASN A 49 -12.309 -1.345 -4.835 1.00 0.00 C ATOM 714 OD1 ASN A 49 -13.408 -1.828 -5.112 1.00 0.00 O ATOM 715 ND2 ASN A 49 -11.193 -1.701 -5.459 1.00 0.00 N ATOM 0 H ASN A 49 -10.864 1.481 -5.189 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.701 0.995 -4.523 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -11.126 -0.226 -3.447 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.734 -0.615 -2.869 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.224 -2.401 -6.201 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.304 -1.275 -5.197 1.00 0.00 H new ATOM 722 N ASP A 50 -13.257 1.699 -1.926 1.00 0.00 N ATOM 723 CA ASP A 50 -13.278 2.547 -0.740 1.00 0.00 C ATOM 724 C ASP A 50 -12.862 1.760 0.498 1.00 0.00 C ATOM 725 O ASP A 50 -13.334 2.029 1.603 1.00 0.00 O ATOM 726 CB ASP A 50 -14.672 3.143 -0.537 1.00 0.00 C ATOM 727 CG ASP A 50 -15.731 2.077 -0.330 1.00 0.00 C ATOM 728 OD1 ASP A 50 -15.651 1.351 0.682 1.00 0.00 O ATOM 729 OD2 ASP A 50 -16.640 1.972 -1.180 1.00 0.00 O ATOM 0 H ASP A 50 -13.778 0.827 -1.831 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.564 3.357 -0.890 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.657 3.809 0.325 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.935 3.749 -1.404 1.00 0.00 H new ATOM 734 N GLY A 51 -11.977 0.788 0.306 1.00 0.00 N ATOM 735 CA GLY A 51 -11.514 -0.023 1.417 1.00 0.00 C ATOM 736 C GLY A 51 -12.059 -1.437 1.369 1.00 0.00 C ATOM 737 O GLY A 51 -11.397 -2.379 1.807 1.00 0.00 O ATOM 0 H GLY A 51 -11.572 0.547 -0.599 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.425 -0.056 1.409 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.812 0.446 2.355 1.00 0.00 H new ATOM 741 N SER A 52 -13.267 -1.586 0.837 1.00 0.00 N ATOM 742 CA SER A 52 -13.901 -2.895 0.733 1.00 0.00 C ATOM 743 C SER A 52 -14.012 -3.331 -0.724 1.00 0.00 C ATOM 744 O SER A 52 -14.204 -2.505 -1.617 1.00 0.00 O ATOM 745 CB SER A 52 -15.288 -2.865 1.377 1.00 0.00 C ATOM 746 OG SER A 52 -15.926 -1.619 1.156 1.00 0.00 O ATOM 0 H SER A 52 -13.827 -0.816 0.471 1.00 0.00 H new ATOM 0 HA SER A 52 -13.278 -3.616 1.262 1.00 0.00 H new ATOM 0 HB2 SER A 52 -15.900 -3.668 0.967 1.00 0.00 H new ATOM 0 HB3 SER A 52 -15.199 -3.047 2.448 1.00 0.00 H new ATOM 0 HG SER A 52 -16.811 -1.626 1.576 1.00 0.00 H new ATOM 752 N VAL A 53 -13.891 -4.634 -0.958 1.00 0.00 N ATOM 753 CA VAL A 53 -13.978 -5.180 -2.306 1.00 0.00 C ATOM 754 C VAL A 53 -14.974 -6.332 -2.369 1.00 0.00 C ATOM 755 O VAL A 53 -14.800 -7.354 -1.705 1.00 0.00 O ATOM 756 CB VAL A 53 -12.606 -5.675 -2.802 1.00 0.00 C ATOM 757 CG1 VAL A 53 -12.674 -6.054 -4.273 1.00 0.00 C ATOM 758 CG2 VAL A 53 -11.539 -4.617 -2.564 1.00 0.00 C ATOM 0 H VAL A 53 -13.732 -5.331 -0.230 1.00 0.00 H new ATOM 0 HA VAL A 53 -14.320 -4.372 -2.953 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.335 -6.565 -2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.696 -6.401 -4.605 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.407 -6.849 -4.410 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -12.968 -5.184 -4.860 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.577 -4.984 -2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.802 -3.707 -3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -11.472 -4.401 -1.498 1.00 0.00 H new ATOM 768 N ALA A 54 -16.019 -6.161 -3.173 1.00 0.00 N ATOM 769 CA ALA A 54 -17.044 -7.187 -3.322 1.00 0.00 C ATOM 770 C ALA A 54 -17.726 -7.479 -1.991 1.00 0.00 C ATOM 771 O ALA A 54 -18.168 -8.601 -1.741 1.00 0.00 O ATOM 772 CB ALA A 54 -16.438 -8.458 -3.897 1.00 0.00 C ATOM 0 H ALA A 54 -16.178 -5.322 -3.731 1.00 0.00 H new ATOM 0 HA ALA A 54 -17.800 -6.813 -4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.214 -9.216 -4.003 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.004 -8.244 -4.874 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.661 -8.826 -3.227 1.00 0.00 H new ATOM 778 N GLY A 55 -17.808 -6.464 -1.137 1.00 0.00 N ATOM 779 CA GLY A 55 -18.438 -6.632 0.159 1.00 0.00 C ATOM 780 C GLY A 55 -17.433 -6.896 1.262 1.00 0.00 C ATOM 781 O GLY A 55 -17.671 -6.560 2.421 1.00 0.00 O ATOM 0 H GLY A 55 -17.449 -5.527 -1.320 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -19.011 -5.736 0.400 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -19.146 -7.459 0.111 1.00 0.00 H new ATOM 785 N VAL A 56 -16.306 -7.501 0.901 1.00 0.00 N ATOM 786 CA VAL A 56 -15.261 -7.811 1.869 1.00 0.00 C ATOM 787 C VAL A 56 -14.448 -6.569 2.216 1.00 0.00 C ATOM 788 O VAL A 56 -13.887 -5.915 1.336 1.00 0.00 O ATOM 789 CB VAL A 56 -14.310 -8.901 1.340 1.00 0.00 C ATOM 790 CG1 VAL A 56 -13.353 -9.351 2.433 1.00 0.00 C ATOM 791 CG2 VAL A 56 -15.101 -10.080 0.793 1.00 0.00 C ATOM 0 H VAL A 56 -16.093 -7.786 -0.055 1.00 0.00 H new ATOM 0 HA VAL A 56 -15.760 -8.179 2.766 1.00 0.00 H new ATOM 0 HB VAL A 56 -13.721 -8.480 0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.689 -10.121 2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.762 -8.500 2.772 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -13.922 -9.754 3.271 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.413 -10.840 0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -15.718 -10.503 1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.740 -9.742 -0.023 1.00 0.00 H new ATOM 801 N ARG A 57 -14.388 -6.247 3.504 1.00 0.00 N ATOM 802 CA ARG A 57 -13.643 -5.083 3.967 1.00 0.00 C ATOM 803 C ARG A 57 -12.179 -5.436 4.216 1.00 0.00 C ATOM 804 O ARG A 57 -11.872 -6.474 4.801 1.00 0.00 O ATOM 805 CB ARG A 57 -14.269 -4.526 5.247 1.00 0.00 C ATOM 806 CG ARG A 57 -13.791 -3.127 5.599 1.00 0.00 C ATOM 807 CD ARG A 57 -14.354 -2.663 6.933 1.00 0.00 C ATOM 808 NE ARG A 57 -14.824 -1.280 6.878 1.00 0.00 N ATOM 809 CZ ARG A 57 -15.951 -0.902 6.278 1.00 0.00 C ATOM 810 NH1 ARG A 57 -16.725 -1.800 5.681 1.00 0.00 N ATOM 811 NH2 ARG A 57 -16.303 0.375 6.275 1.00 0.00 N ATOM 0 H ARG A 57 -14.847 -6.776 4.246 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.687 -4.322 3.188 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.353 -4.513 5.135 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.042 -5.198 6.075 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -12.702 -3.113 5.638 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -14.091 -2.431 4.815 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -15.178 -3.314 7.225 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -13.587 -2.755 7.702 1.00 0.00 H new ATOM 0 HE ARG A 57 -14.255 -0.562 7.326 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -16.457 -2.784 5.681 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -17.587 -1.506 5.223 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -15.711 1.068 6.732 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -17.166 0.665 5.815 1.00 0.00 H new ATOM 825 N TYR A 58 -11.281 -4.567 3.766 1.00 0.00 N ATOM 826 CA TYR A 58 -9.850 -4.787 3.939 1.00 0.00 C ATOM 827 C TYR A 58 -9.233 -3.694 4.807 1.00 0.00 C ATOM 828 O TYR A 58 -8.527 -3.982 5.774 1.00 0.00 O ATOM 829 CB TYR A 58 -9.151 -4.828 2.579 1.00 0.00 C ATOM 830 CG TYR A 58 -9.427 -6.090 1.793 1.00 0.00 C ATOM 831 CD1 TYR A 58 -10.568 -6.206 1.008 1.00 0.00 C ATOM 832 CD2 TYR A 58 -8.549 -7.165 1.837 1.00 0.00 C ATOM 833 CE1 TYR A 58 -10.825 -7.358 0.289 1.00 0.00 C ATOM 834 CE2 TYR A 58 -8.798 -8.320 1.120 1.00 0.00 C ATOM 835 CZ TYR A 58 -9.937 -8.411 0.348 1.00 0.00 C ATOM 836 OH TYR A 58 -10.189 -9.560 -0.367 1.00 0.00 O ATOM 0 H TYR A 58 -11.519 -3.703 3.278 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.713 -5.745 4.440 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.469 -3.967 1.991 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.076 -4.732 2.730 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -11.265 -5.383 0.959 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.657 -7.097 2.442 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -11.717 -7.433 -0.316 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.104 -9.147 1.164 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.218 -9.350 -1.324 1.00 0.00 H new ATOM 846 N PHE A 59 -9.505 -2.442 4.457 1.00 0.00 N ATOM 847 CA PHE A 59 -8.975 -1.307 5.204 1.00 0.00 C ATOM 848 C PHE A 59 -9.927 -0.118 5.133 1.00 0.00 C ATOM 849 O PHE A 59 -10.365 0.277 4.052 1.00 0.00 O ATOM 850 CB PHE A 59 -7.601 -0.909 4.663 1.00 0.00 C ATOM 851 CG PHE A 59 -7.622 -0.495 3.219 1.00 0.00 C ATOM 852 CD1 PHE A 59 -7.742 -1.442 2.215 1.00 0.00 C ATOM 853 CD2 PHE A 59 -7.521 0.841 2.866 1.00 0.00 C ATOM 854 CE1 PHE A 59 -7.762 -1.065 0.885 1.00 0.00 C ATOM 855 CE2 PHE A 59 -7.540 1.225 1.539 1.00 0.00 C ATOM 856 CZ PHE A 59 -7.660 0.270 0.547 1.00 0.00 C ATOM 0 H PHE A 59 -10.089 -2.187 3.661 1.00 0.00 H new ATOM 0 HA PHE A 59 -8.873 -1.606 6.247 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.207 -0.088 5.262 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.915 -1.748 4.782 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.821 -2.487 2.474 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.426 1.591 3.637 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.857 -1.813 0.112 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.461 2.270 1.277 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.674 0.568 -0.491 1.00 0.00 H new ATOM 866 N GLN A 60 -10.245 0.450 6.292 1.00 0.00 N ATOM 867 CA GLN A 60 -11.146 1.595 6.361 1.00 0.00 C ATOM 868 C GLN A 60 -10.503 2.831 5.740 1.00 0.00 C ATOM 869 O GLN A 60 -9.354 3.161 6.036 1.00 0.00 O ATOM 870 CB GLN A 60 -11.530 1.882 7.813 1.00 0.00 C ATOM 871 CG GLN A 60 -12.566 2.984 7.962 1.00 0.00 C ATOM 872 CD GLN A 60 -11.952 4.313 8.355 1.00 0.00 C ATOM 873 OE1 GLN A 60 -11.025 4.367 9.164 1.00 0.00 O ATOM 874 NE2 GLN A 60 -12.466 5.395 7.782 1.00 0.00 N ATOM 0 H GLN A 60 -9.892 0.136 7.196 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.046 1.352 5.796 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.916 0.968 8.265 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -10.634 2.159 8.369 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.104 3.101 7.021 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -13.298 2.690 8.714 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -13.234 5.304 7.117 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.093 6.317 8.007 1.00 0.00 H new ATOM 883 N CYS A 61 -11.251 3.511 4.877 1.00 0.00 N ATOM 884 CA CYS A 61 -10.754 4.711 4.215 1.00 0.00 C ATOM 885 C CYS A 61 -11.899 5.496 3.581 1.00 0.00 C ATOM 886 O CYS A 61 -13.061 5.101 3.673 1.00 0.00 O ATOM 887 CB CYS A 61 -9.723 4.340 3.148 1.00 0.00 C ATOM 888 SG CYS A 61 -10.367 3.274 1.837 1.00 0.00 S ATOM 0 H CYS A 61 -12.203 3.251 4.620 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.278 5.340 4.967 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -9.335 5.255 2.700 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -8.883 3.839 3.629 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.473 2.384 1.523 1.00 0.00 H new ATOM 894 N GLU A 62 -11.561 6.609 2.937 1.00 0.00 N ATOM 895 CA GLU A 62 -12.560 7.449 2.289 1.00 0.00 C ATOM 896 C GLU A 62 -12.966 6.867 0.937 1.00 0.00 C ATOM 897 O GLU A 62 -12.288 5.993 0.398 1.00 0.00 O ATOM 898 CB GLU A 62 -12.021 8.870 2.105 1.00 0.00 C ATOM 899 CG GLU A 62 -12.395 9.812 3.238 1.00 0.00 C ATOM 900 CD GLU A 62 -12.380 11.267 2.814 1.00 0.00 C ATOM 901 OE1 GLU A 62 -13.097 11.613 1.851 1.00 0.00 O ATOM 902 OE2 GLU A 62 -11.650 12.062 3.443 1.00 0.00 O ATOM 0 H GLU A 62 -10.603 6.949 2.851 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.441 7.483 2.930 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.935 8.830 2.020 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.400 9.275 1.166 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.388 9.555 3.607 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.701 9.672 4.067 1.00 0.00 H new ATOM 909 N PRO A 63 -14.087 7.347 0.368 1.00 0.00 N ATOM 910 CA PRO A 63 -14.583 6.869 -0.927 1.00 0.00 C ATOM 911 C PRO A 63 -13.571 7.078 -2.048 1.00 0.00 C ATOM 912 O PRO A 63 -12.943 8.133 -2.143 1.00 0.00 O ATOM 913 CB PRO A 63 -15.835 7.720 -1.174 1.00 0.00 C ATOM 914 CG PRO A 63 -16.233 8.225 0.170 1.00 0.00 C ATOM 915 CD PRO A 63 -14.956 8.387 0.942 1.00 0.00 C ATOM 0 HA PRO A 63 -14.779 5.797 -0.913 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.624 8.542 -1.857 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -16.632 7.128 -1.624 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.764 9.173 0.090 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.904 7.525 0.667 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.531 9.383 0.815 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.109 8.240 2.011 1.00 0.00 H new ATOM 923 N LEU A 64 -13.419 6.067 -2.898 1.00 0.00 N ATOM 924 CA LEU A 64 -12.489 6.136 -4.017 1.00 0.00 C ATOM 925 C LEU A 64 -11.090 6.532 -3.552 1.00 0.00 C ATOM 926 O LEU A 64 -10.357 7.213 -4.270 1.00 0.00 O ATOM 927 CB LEU A 64 -12.994 7.133 -5.060 1.00 0.00 C ATOM 928 CG LEU A 64 -13.972 6.558 -6.085 1.00 0.00 C ATOM 929 CD1 LEU A 64 -14.627 7.675 -6.882 1.00 0.00 C ATOM 930 CD2 LEU A 64 -13.260 5.585 -7.013 1.00 0.00 C ATOM 0 H LEU A 64 -13.931 5.187 -2.831 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.429 5.144 -4.465 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.478 7.962 -4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.136 7.546 -5.591 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.752 6.015 -5.551 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.320 7.247 -7.607 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.171 8.334 -6.205 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -13.860 8.246 -7.406 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -13.971 5.185 -7.736 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.460 6.104 -7.540 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -12.838 4.767 -6.429 1.00 0.00 H new ATOM 942 N LYS A 65 -10.725 6.100 -2.350 1.00 0.00 N ATOM 943 CA LYS A 65 -9.414 6.410 -1.792 1.00 0.00 C ATOM 944 C LYS A 65 -8.668 5.134 -1.417 1.00 0.00 C ATOM 945 O LYS A 65 -7.907 5.108 -0.449 1.00 0.00 O ATOM 946 CB LYS A 65 -9.555 7.312 -0.564 1.00 0.00 C ATOM 947 CG LYS A 65 -10.044 8.713 -0.892 1.00 0.00 C ATOM 948 CD LYS A 65 -9.340 9.761 -0.045 1.00 0.00 C ATOM 949 CE LYS A 65 -10.192 11.009 0.119 1.00 0.00 C ATOM 950 NZ LYS A 65 -9.617 11.947 1.123 1.00 0.00 N ATOM 0 H LYS A 65 -11.318 5.534 -1.743 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.839 6.936 -2.554 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.248 6.849 0.139 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.590 7.381 -0.061 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.872 8.922 -1.948 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.120 8.772 -0.726 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.111 9.344 0.936 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.390 10.026 -0.508 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.282 11.516 -0.842 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -11.199 10.724 0.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.209 12.800 1.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.586 11.483 2.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.653 12.213 0.837 1.00 0.00 H new ATOM 964 N GLY A 66 -8.891 4.076 -2.190 1.00 0.00 N ATOM 965 CA GLY A 66 -8.233 2.810 -1.923 1.00 0.00 C ATOM 966 C GLY A 66 -8.060 1.972 -3.174 1.00 0.00 C ATOM 967 O GLY A 66 -9.025 1.708 -3.891 1.00 0.00 O ATOM 0 H GLY A 66 -9.516 4.073 -2.996 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.256 2.998 -1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.814 2.249 -1.191 1.00 0.00 H new ATOM 971 N ILE A 67 -6.826 1.555 -3.439 1.00 0.00 N ATOM 972 CA ILE A 67 -6.529 0.743 -4.613 1.00 0.00 C ATOM 973 C ILE A 67 -5.605 -0.419 -4.256 1.00 0.00 C ATOM 974 O ILE A 67 -4.868 -0.359 -3.273 1.00 0.00 O ATOM 975 CB ILE A 67 -5.879 1.586 -5.729 1.00 0.00 C ATOM 976 CG1 ILE A 67 -5.655 0.736 -6.982 1.00 0.00 C ATOM 977 CG2 ILE A 67 -4.567 2.189 -5.247 1.00 0.00 C ATOM 978 CD1 ILE A 67 -5.522 1.551 -8.250 1.00 0.00 C ATOM 0 H ILE A 67 -6.016 1.766 -2.856 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.478 0.348 -4.977 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.556 2.401 -5.985 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.754 0.137 -6.849 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.487 0.040 -7.093 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.123 2.780 -6.048 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.756 2.829 -4.385 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.882 1.390 -4.963 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.365 0.883 -9.097 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.432 2.130 -8.408 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.673 2.228 -8.160 1.00 0.00 H new ATOM 990 N PHE A 68 -5.651 -1.474 -5.063 1.00 0.00 N ATOM 991 CA PHE A 68 -4.819 -2.650 -4.833 1.00 0.00 C ATOM 992 C PHE A 68 -3.841 -2.856 -5.985 1.00 0.00 C ATOM 993 O PHE A 68 -4.220 -2.792 -7.154 1.00 0.00 O ATOM 994 CB PHE A 68 -5.693 -3.894 -4.661 1.00 0.00 C ATOM 995 CG PHE A 68 -6.351 -3.983 -3.313 1.00 0.00 C ATOM 996 CD1 PHE A 68 -5.695 -4.572 -2.245 1.00 0.00 C ATOM 997 CD2 PHE A 68 -7.626 -3.478 -3.116 1.00 0.00 C ATOM 998 CE1 PHE A 68 -6.298 -4.656 -1.004 1.00 0.00 C ATOM 999 CE2 PHE A 68 -8.234 -3.558 -1.878 1.00 0.00 C ATOM 1000 CZ PHE A 68 -7.569 -4.148 -0.821 1.00 0.00 C ATOM 0 H PHE A 68 -6.255 -1.539 -5.882 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.248 -2.488 -3.919 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.463 -3.897 -5.433 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.081 -4.782 -4.817 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.701 -4.970 -2.383 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.151 -3.017 -3.940 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.776 -5.118 -0.179 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -9.228 -3.160 -1.737 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.042 -4.212 0.148 1.00 0.00 H new ATOM 1010 N THR A 69 -2.580 -3.104 -5.645 1.00 0.00 N ATOM 1011 CA THR A 69 -1.546 -3.321 -6.652 1.00 0.00 C ATOM 1012 C THR A 69 -0.380 -4.112 -6.071 1.00 0.00 C ATOM 1013 O THR A 69 -0.244 -4.234 -4.853 1.00 0.00 O ATOM 1014 CB THR A 69 -1.047 -1.981 -7.196 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.037 -2.181 -8.170 1.00 0.00 O ATOM 1016 CG2 THR A 69 -0.480 -1.075 -6.127 1.00 0.00 C ATOM 0 H THR A 69 -2.249 -3.160 -4.682 1.00 0.00 H new ATOM 0 HA THR A 69 -1.982 -3.897 -7.468 1.00 0.00 H new ATOM 0 HB THR A 69 -1.924 -1.500 -7.629 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.268 -1.313 -8.508 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.145 -0.142 -6.581 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.250 -0.862 -5.385 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.364 -1.567 -5.643 1.00 0.00 H new ATOM 1024 N ARG A 70 0.461 -4.650 -6.949 1.00 0.00 N ATOM 1025 CA ARG A 70 1.616 -5.430 -6.522 1.00 0.00 C ATOM 1026 C ARG A 70 2.679 -4.529 -5.893 1.00 0.00 C ATOM 1027 O ARG A 70 3.115 -3.554 -6.504 1.00 0.00 O ATOM 1028 CB ARG A 70 2.214 -6.185 -7.712 1.00 0.00 C ATOM 1029 CG ARG A 70 1.183 -6.953 -8.523 1.00 0.00 C ATOM 1030 CD ARG A 70 1.830 -7.708 -9.675 1.00 0.00 C ATOM 1031 NE ARG A 70 1.930 -9.140 -9.404 1.00 0.00 N ATOM 1032 CZ ARG A 70 0.914 -9.991 -9.531 1.00 0.00 C ATOM 1033 NH1 ARG A 70 -0.278 -9.559 -9.922 1.00 0.00 N ATOM 1034 NH2 ARG A 70 1.091 -11.278 -9.265 1.00 0.00 N ATOM 0 H ARG A 70 0.364 -4.560 -7.960 1.00 0.00 H new ATOM 0 HA ARG A 70 1.282 -6.148 -5.773 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.722 -5.475 -8.364 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.970 -6.881 -7.348 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.659 -7.655 -7.875 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.437 -6.261 -8.913 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.248 -7.551 -10.583 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.825 -7.304 -9.860 1.00 0.00 H new ATOM 0 HE ARG A 70 2.831 -9.509 -9.100 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.420 -8.570 -10.127 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.052 -10.216 -10.017 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.005 -11.615 -8.963 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.313 -11.931 -9.362 1.00 0.00 H new ATOM 1048 N PRO A 71 3.113 -4.842 -4.657 1.00 0.00 N ATOM 1049 CA PRO A 71 4.130 -4.047 -3.957 1.00 0.00 C ATOM 1050 C PRO A 71 5.410 -3.904 -4.773 1.00 0.00 C ATOM 1051 O PRO A 71 6.043 -2.849 -4.775 1.00 0.00 O ATOM 1052 CB PRO A 71 4.401 -4.847 -2.680 1.00 0.00 C ATOM 1053 CG PRO A 71 3.178 -5.670 -2.474 1.00 0.00 C ATOM 1054 CD PRO A 71 2.654 -5.985 -3.848 1.00 0.00 C ATOM 0 HA PRO A 71 3.790 -3.028 -3.770 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.286 -5.475 -2.788 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.580 -4.187 -1.831 1.00 0.00 H new ATOM 0 HG2 PRO A 71 3.410 -6.583 -1.926 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.436 -5.127 -1.889 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.051 -6.928 -4.223 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.567 -6.071 -3.854 1.00 0.00 H new ATOM 1062 N SER A 72 5.787 -4.975 -5.465 1.00 0.00 N ATOM 1063 CA SER A 72 6.992 -4.973 -6.286 1.00 0.00 C ATOM 1064 C SER A 72 6.945 -3.858 -7.327 1.00 0.00 C ATOM 1065 O SER A 72 7.984 -3.363 -7.767 1.00 0.00 O ATOM 1066 CB SER A 72 7.165 -6.326 -6.977 1.00 0.00 C ATOM 1067 OG SER A 72 7.961 -7.201 -6.196 1.00 0.00 O ATOM 0 H SER A 72 5.274 -5.857 -5.473 1.00 0.00 H new ATOM 0 HA SER A 72 7.845 -4.795 -5.631 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.188 -6.776 -7.151 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.628 -6.182 -7.953 1.00 0.00 H new ATOM 0 HG SER A 72 8.055 -8.059 -6.659 1.00 0.00 H new ATOM 1073 N LYS A 73 5.737 -3.469 -7.720 1.00 0.00 N ATOM 1074 CA LYS A 73 5.558 -2.413 -8.711 1.00 0.00 C ATOM 1075 C LYS A 73 5.288 -1.072 -8.036 1.00 0.00 C ATOM 1076 O LYS A 73 4.543 -0.242 -8.558 1.00 0.00 O ATOM 1077 CB LYS A 73 4.407 -2.762 -9.656 1.00 0.00 C ATOM 1078 CG LYS A 73 4.539 -4.136 -10.295 1.00 0.00 C ATOM 1079 CD LYS A 73 4.545 -4.049 -11.813 1.00 0.00 C ATOM 1080 CE LYS A 73 5.514 -5.046 -12.426 1.00 0.00 C ATOM 1081 NZ LYS A 73 6.191 -4.493 -13.632 1.00 0.00 N ATOM 0 H LYS A 73 4.867 -3.869 -7.368 1.00 0.00 H new ATOM 0 HA LYS A 73 6.480 -2.330 -9.287 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.468 -2.716 -9.104 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.352 -2.009 -10.442 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.459 -4.610 -9.954 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.714 -4.770 -9.970 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.541 -4.236 -12.193 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.819 -3.039 -12.119 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.263 -5.326 -11.686 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.977 -5.955 -12.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.844 -5.204 -14.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.478 -4.249 -14.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.725 -3.640 -13.370 1.00 0.00 H new ATOM 1095 N LEU A 74 5.897 -0.865 -6.873 1.00 0.00 N ATOM 1096 CA LEU A 74 5.722 0.377 -6.129 1.00 0.00 C ATOM 1097 C LEU A 74 7.031 1.160 -6.063 1.00 0.00 C ATOM 1098 O LEU A 74 8.109 0.603 -6.267 1.00 0.00 O ATOM 1099 CB LEU A 74 5.219 0.082 -4.715 1.00 0.00 C ATOM 1100 CG LEU A 74 3.797 -0.476 -4.637 1.00 0.00 C ATOM 1101 CD1 LEU A 74 3.372 -0.653 -3.188 1.00 0.00 C ATOM 1102 CD2 LEU A 74 2.826 0.436 -5.371 1.00 0.00 C ATOM 0 H LEU A 74 6.516 -1.541 -6.426 1.00 0.00 H new ATOM 0 HA LEU A 74 4.982 0.984 -6.651 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.898 -0.629 -4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.265 1.001 -4.130 1.00 0.00 H new ATOM 0 HG LEU A 74 3.783 -1.453 -5.120 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.358 -1.051 -3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.051 -1.346 -2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.402 0.311 -2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.819 0.024 -5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.843 1.427 -4.916 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.119 0.512 -6.418 1.00 0.00 H new ATOM 1114 N THR A 75 6.926 2.453 -5.775 1.00 0.00 N ATOM 1115 CA THR A 75 8.101 3.312 -5.682 1.00 0.00 C ATOM 1116 C THR A 75 8.007 4.233 -4.470 1.00 0.00 C ATOM 1117 O THR A 75 6.919 4.482 -3.950 1.00 0.00 O ATOM 1118 CB THR A 75 8.254 4.142 -6.957 1.00 0.00 C ATOM 1119 OG1 THR A 75 8.029 3.343 -8.106 1.00 0.00 O ATOM 1120 CG2 THR A 75 9.622 4.774 -7.099 1.00 0.00 C ATOM 0 H THR A 75 6.040 2.929 -5.602 1.00 0.00 H new ATOM 0 HA THR A 75 8.978 2.675 -5.564 1.00 0.00 H new ATOM 0 HB THR A 75 7.511 4.935 -6.876 1.00 0.00 H new ATOM 0 HG1 THR A 75 8.130 3.892 -8.911 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.663 5.348 -8.024 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.807 5.436 -6.253 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.383 3.994 -7.122 1.00 0.00 H new ATOM 1128 N ARG A 76 9.154 4.736 -4.025 1.00 0.00 N ATOM 1129 CA ARG A 76 9.201 5.631 -2.875 1.00 0.00 C ATOM 1130 C ARG A 76 9.366 7.081 -3.320 1.00 0.00 C ATOM 1131 O ARG A 76 10.455 7.502 -3.707 1.00 0.00 O ATOM 1132 CB ARG A 76 10.347 5.234 -1.942 1.00 0.00 C ATOM 1133 CG ARG A 76 9.893 4.895 -0.531 1.00 0.00 C ATOM 1134 CD ARG A 76 11.036 5.010 0.465 1.00 0.00 C ATOM 1135 NE ARG A 76 12.132 4.098 0.149 1.00 0.00 N ATOM 1136 CZ ARG A 76 13.254 4.012 0.860 1.00 0.00 C ATOM 1137 NH1 ARG A 76 13.431 4.781 1.927 1.00 0.00 N ATOM 1138 NH2 ARG A 76 14.200 3.156 0.503 1.00 0.00 N ATOM 0 H ARG A 76 10.063 4.539 -4.443 1.00 0.00 H new ATOM 0 HA ARG A 76 8.257 5.543 -2.337 1.00 0.00 H new ATOM 0 HB2 ARG A 76 10.867 4.374 -2.364 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.067 6.051 -1.897 1.00 0.00 H new ATOM 0 HG2 ARG A 76 9.084 5.564 -0.237 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.492 3.882 -0.510 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.408 6.035 0.473 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.666 4.798 1.468 1.00 0.00 H new ATOM 0 HE ARG A 76 12.032 3.491 -0.665 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.705 5.442 2.206 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.293 4.711 2.469 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.068 2.563 -0.316 1.00 0.00 H new ATOM 0 HH22 ARG A 76 15.060 3.090 1.048 1.00 0.00 H new ATOM 1152 N LYS A 77 8.276 7.841 -3.262 1.00 0.00 N ATOM 1153 CA LYS A 77 8.299 9.243 -3.659 1.00 0.00 C ATOM 1154 C LYS A 77 8.699 9.387 -5.124 1.00 0.00 C ATOM 1155 O LYS A 77 9.008 8.401 -5.794 1.00 0.00 O ATOM 1156 CB LYS A 77 9.269 10.029 -2.772 1.00 0.00 C ATOM 1157 CG LYS A 77 8.716 11.363 -2.299 1.00 0.00 C ATOM 1158 CD LYS A 77 9.825 12.293 -1.834 1.00 0.00 C ATOM 1159 CE LYS A 77 9.553 13.732 -2.240 1.00 0.00 C ATOM 1160 NZ LYS A 77 10.803 14.538 -2.298 1.00 0.00 N ATOM 0 H LYS A 77 7.366 7.508 -2.944 1.00 0.00 H new ATOM 0 HA LYS A 77 7.295 9.648 -3.535 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.526 9.423 -1.903 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.193 10.203 -3.324 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.160 11.835 -3.109 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.012 11.198 -1.483 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.922 12.232 -0.750 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.775 11.968 -2.258 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.065 13.748 -3.215 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.861 14.185 -1.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.575 15.513 -2.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.256 14.544 -1.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.453 14.121 -2.994 1.00 0.00 H new