USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 407 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 56 ASN : amide:sc= -0.334 K(o=-0.25,f=-7!) USER MOD Set 1.2: A 57 THR OG1 : rot 25:sc= 0.086 USER MOD Set 2.1: A 44 ASN : amide:sc= -3.42! C(o=-3.4!,f=-13!) USER MOD Set 2.2: A 46 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 7 LYS NZ :NH3+ -163:sc= 1.19 (180deg=0) USER MOD Set 3.2: A 23 THR OG1 : rot 180:sc= -0.596 USER MOD Single : A 15 SER OG : rot 150:sc= 0.512 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc=-0.000361 X(o=-0.00036,f=-0.12) USER MOD Single : A 26 SER OG : rot 11:sc= 1.16 USER MOD Single : A 33 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0489) USER MOD Single : A 34 TYR OH : rot 165:sc= -0.519 USER MOD Single : A 42 LYS NZ :NH3+ -123:sc= 0.556 (180deg=-0.0897) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.67 K(o=-1.7,f=-4.8!) USER MOD Single : A 59 ASN : amide:sc= -3.22 K(o=-3.2,f=-9.5!) USER MOD ----------------------------------------------------------------- ATOM 95 N LYS A 7 -6.168 -0.417 3.522 1.00 0.00 N ATOM 96 CA LYS A 7 -5.266 -1.523 3.080 1.00 0.00 C ATOM 97 C LYS A 7 -5.325 -1.677 1.557 1.00 0.00 C ATOM 98 O LYS A 7 -6.384 -1.853 0.985 1.00 0.00 O ATOM 99 CB LYS A 7 -5.809 -2.776 3.767 1.00 0.00 C ATOM 100 CG LYS A 7 -5.657 -2.634 5.283 1.00 0.00 C ATOM 101 CD LYS A 7 -4.240 -3.038 5.694 1.00 0.00 C ATOM 102 CE LYS A 7 -4.117 -4.563 5.673 1.00 0.00 C ATOM 103 NZ LYS A 7 -3.182 -4.889 6.786 1.00 0.00 N ATOM 0 HA LYS A 7 -4.224 -1.335 3.340 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -6.858 -2.920 3.508 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.271 -3.657 3.418 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.855 -1.605 5.584 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.388 -3.262 5.793 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.513 -2.595 5.014 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.017 -2.658 6.691 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.086 -5.039 5.819 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.730 -4.915 4.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.822 -5.857 6.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.386 -4.220 6.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.685 -4.818 7.694 1.00 0.00 H new ATOM 117 N VAL A 8 -4.190 -1.640 0.906 1.00 0.00 N ATOM 118 CA VAL A 8 -4.167 -1.818 -0.578 1.00 0.00 C ATOM 119 C VAL A 8 -3.263 -2.995 -0.958 1.00 0.00 C ATOM 120 O VAL A 8 -2.393 -3.388 -0.204 1.00 0.00 O ATOM 121 CB VAL A 8 -3.608 -0.502 -1.134 1.00 0.00 C ATOM 122 CG1 VAL A 8 -4.544 0.648 -0.759 1.00 0.00 C ATOM 123 CG2 VAL A 8 -2.216 -0.234 -0.550 1.00 0.00 C ATOM 0 H VAL A 8 -3.278 -1.494 1.338 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.156 -2.038 -0.981 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.533 -0.578 -2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.147 1.583 -1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.532 0.466 -1.182 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.621 0.716 0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.827 0.702 -0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.284 -0.164 0.536 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.545 -1.050 -0.819 1.00 0.00 H new ATOM 133 N ARG A 9 -3.448 -3.540 -2.134 1.00 0.00 N ATOM 134 CA ARG A 9 -2.583 -4.671 -2.587 1.00 0.00 C ATOM 135 C ARG A 9 -1.266 -4.136 -3.154 1.00 0.00 C ATOM 136 O ARG A 9 -1.199 -3.025 -3.645 1.00 0.00 O ATOM 137 CB ARG A 9 -3.391 -5.374 -3.678 1.00 0.00 C ATOM 138 CG ARG A 9 -4.260 -6.465 -3.049 1.00 0.00 C ATOM 139 CD ARG A 9 -3.501 -7.794 -3.063 1.00 0.00 C ATOM 140 NE ARG A 9 -4.554 -8.842 -2.899 1.00 0.00 N ATOM 141 CZ ARG A 9 -5.405 -9.119 -3.867 1.00 0.00 C ATOM 142 NH1 ARG A 9 -5.339 -8.519 -5.034 1.00 0.00 N ATOM 143 NH2 ARG A 9 -6.336 -10.010 -3.662 1.00 0.00 N ATOM 0 H ARG A 9 -4.163 -3.249 -2.801 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.325 -5.346 -1.771 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -4.018 -4.653 -4.203 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.720 -5.811 -4.418 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.520 -6.193 -2.026 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.195 -6.562 -3.600 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.954 -7.927 -3.997 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.770 -7.839 -2.256 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.616 -9.354 -2.019 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.617 -7.820 -5.208 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.010 -8.752 -5.766 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -6.399 -10.483 -2.761 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.000 -10.233 -4.403 1.00 0.00 H new ATOM 157 N ILE A 10 -0.233 -4.939 -3.133 1.00 0.00 N ATOM 158 CA ILE A 10 1.072 -4.507 -3.719 1.00 0.00 C ATOM 159 C ILE A 10 1.194 -5.016 -5.159 1.00 0.00 C ATOM 160 O ILE A 10 1.202 -6.207 -5.406 1.00 0.00 O ATOM 161 CB ILE A 10 2.144 -5.144 -2.826 1.00 0.00 C ATOM 162 CG1 ILE A 10 1.972 -4.666 -1.373 1.00 0.00 C ATOM 163 CG2 ILE A 10 3.539 -4.758 -3.332 1.00 0.00 C ATOM 164 CD1 ILE A 10 2.108 -3.139 -1.295 1.00 0.00 C ATOM 0 H ILE A 10 -0.237 -5.878 -2.734 1.00 0.00 H new ATOM 0 HA ILE A 10 1.171 -3.422 -3.755 1.00 0.00 H new ATOM 0 HB ILE A 10 2.034 -6.228 -2.861 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.996 -4.971 -0.996 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.721 -5.138 -0.737 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.296 -5.213 -2.694 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.666 -5.112 -4.355 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.648 -3.674 -3.307 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.984 -2.815 -0.262 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.094 -2.843 -1.652 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.342 -2.673 -1.915 1.00 0.00 H new ATOM 176 N LEU A 11 1.330 -4.119 -6.104 1.00 0.00 N ATOM 177 CA LEU A 11 1.500 -4.541 -7.525 1.00 0.00 C ATOM 178 C LEU A 11 2.966 -4.404 -7.944 1.00 0.00 C ATOM 179 O LEU A 11 3.268 -4.059 -9.072 1.00 0.00 O ATOM 180 CB LEU A 11 0.617 -3.580 -8.334 1.00 0.00 C ATOM 181 CG LEU A 11 -0.835 -4.087 -8.374 1.00 0.00 C ATOM 182 CD1 LEU A 11 -0.891 -5.459 -9.052 1.00 0.00 C ATOM 183 CD2 LEU A 11 -1.389 -4.197 -6.950 1.00 0.00 C ATOM 0 H LEU A 11 1.330 -3.111 -5.950 1.00 0.00 H new ATOM 0 HA LEU A 11 1.220 -5.582 -7.683 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.649 -2.585 -7.889 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.004 -3.488 -9.349 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.439 -3.380 -8.942 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.922 -5.811 -9.076 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.511 -5.377 -10.070 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.279 -6.167 -8.492 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.417 -4.557 -6.986 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -0.780 -4.896 -6.376 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.364 -3.217 -6.473 1.00 0.00 H new ATOM 195 N ARG A 12 3.876 -4.694 -7.049 1.00 0.00 N ATOM 196 CA ARG A 12 5.327 -4.609 -7.392 1.00 0.00 C ATOM 197 C ARG A 12 5.966 -6.006 -7.344 1.00 0.00 C ATOM 198 O ARG A 12 6.476 -6.409 -6.319 1.00 0.00 O ATOM 199 CB ARG A 12 5.934 -3.704 -6.319 1.00 0.00 C ATOM 200 CG ARG A 12 7.163 -2.991 -6.887 1.00 0.00 C ATOM 201 CD ARG A 12 7.352 -1.651 -6.171 1.00 0.00 C ATOM 202 NE ARG A 12 8.833 -1.455 -6.107 1.00 0.00 N ATOM 203 CZ ARG A 12 9.527 -1.102 -7.171 1.00 0.00 C ATOM 204 NH1 ARG A 12 8.957 -0.950 -8.345 1.00 0.00 N ATOM 205 NH2 ARG A 12 10.811 -0.901 -7.056 1.00 0.00 N ATOM 0 H ARG A 12 3.675 -4.987 -6.093 1.00 0.00 H new ATOM 0 HA ARG A 12 5.493 -4.219 -8.396 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.198 -2.972 -5.986 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.214 -4.294 -5.446 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.049 -3.612 -6.758 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.040 -2.829 -7.958 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.869 -0.840 -6.716 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.912 -1.670 -5.174 1.00 0.00 H new ATOM 0 HE ARG A 12 9.317 -1.598 -5.221 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.954 -1.106 -8.449 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.517 -0.676 -9.152 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.266 -1.017 -6.151 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.359 -0.628 -7.871 1.00 0.00 H new ATOM 219 N PRO A 13 5.922 -6.710 -8.461 1.00 0.00 N ATOM 220 CA PRO A 13 6.513 -8.078 -8.523 1.00 0.00 C ATOM 221 C PRO A 13 7.969 -8.073 -8.035 1.00 0.00 C ATOM 222 O PRO A 13 8.466 -9.061 -7.529 1.00 0.00 O ATOM 223 CB PRO A 13 6.447 -8.432 -10.007 1.00 0.00 C ATOM 224 CG PRO A 13 5.340 -7.592 -10.554 1.00 0.00 C ATOM 225 CD PRO A 13 5.327 -6.319 -9.751 1.00 0.00 C ATOM 0 HA PRO A 13 5.986 -8.791 -7.889 1.00 0.00 H new ATOM 0 HB2 PRO A 13 7.391 -8.216 -10.507 1.00 0.00 H new ATOM 0 HB3 PRO A 13 6.246 -9.493 -10.151 1.00 0.00 H new ATOM 0 HG2 PRO A 13 5.500 -7.381 -11.611 1.00 0.00 H new ATOM 0 HG3 PRO A 13 4.385 -8.110 -10.473 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.906 -5.534 -10.237 1.00 0.00 H new ATOM 0 HD3 PRO A 13 4.314 -5.936 -9.625 1.00 0.00 H new ATOM 233 N GLU A 14 8.638 -6.954 -8.154 1.00 0.00 N ATOM 234 CA GLU A 14 10.047 -6.863 -7.663 1.00 0.00 C ATOM 235 C GLU A 14 10.072 -6.774 -6.134 1.00 0.00 C ATOM 236 O GLU A 14 11.026 -7.181 -5.498 1.00 0.00 O ATOM 237 CB GLU A 14 10.604 -5.579 -8.283 1.00 0.00 C ATOM 238 CG GLU A 14 12.119 -5.529 -8.078 1.00 0.00 C ATOM 239 CD GLU A 14 12.584 -4.072 -8.049 1.00 0.00 C ATOM 240 OE1 GLU A 14 12.397 -3.392 -9.044 1.00 0.00 O ATOM 241 OE2 GLU A 14 13.118 -3.662 -7.031 1.00 0.00 O ATOM 0 H GLU A 14 8.269 -6.099 -8.570 1.00 0.00 H new ATOM 0 HA GLU A 14 10.635 -7.738 -7.940 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.369 -5.545 -9.347 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.135 -4.708 -7.825 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.387 -6.026 -7.145 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.623 -6.066 -8.881 1.00 0.00 H new ATOM 248 N SER A 15 9.029 -6.247 -5.543 1.00 0.00 N ATOM 249 CA SER A 15 8.985 -6.133 -4.053 1.00 0.00 C ATOM 250 C SER A 15 8.758 -7.509 -3.422 1.00 0.00 C ATOM 251 O SER A 15 7.939 -8.283 -3.880 1.00 0.00 O ATOM 252 CB SER A 15 7.806 -5.206 -3.755 1.00 0.00 C ATOM 253 OG SER A 15 7.699 -5.018 -2.350 1.00 0.00 O ATOM 0 H SER A 15 8.206 -5.891 -6.028 1.00 0.00 H new ATOM 0 HA SER A 15 9.918 -5.746 -3.644 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.949 -4.246 -4.252 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.884 -5.634 -4.147 1.00 0.00 H new ATOM 0 HG SER A 15 7.323 -4.132 -2.166 1.00 0.00 H new ATOM 259 N TYR A 16 9.439 -7.792 -2.340 1.00 0.00 N ATOM 260 CA TYR A 16 9.223 -9.093 -1.629 1.00 0.00 C ATOM 261 C TYR A 16 7.765 -9.214 -1.171 1.00 0.00 C ATOM 262 O TYR A 16 7.256 -10.303 -0.984 1.00 0.00 O ATOM 263 CB TYR A 16 10.163 -9.053 -0.422 1.00 0.00 C ATOM 264 CG TYR A 16 10.089 -10.366 0.321 1.00 0.00 C ATOM 265 CD1 TYR A 16 9.150 -10.538 1.347 1.00 0.00 C ATOM 266 CD2 TYR A 16 10.957 -11.411 -0.015 1.00 0.00 C ATOM 267 CE1 TYR A 16 9.081 -11.755 2.035 1.00 0.00 C ATOM 268 CE2 TYR A 16 10.888 -12.629 0.673 1.00 0.00 C ATOM 269 CZ TYR A 16 9.949 -12.800 1.698 1.00 0.00 C ATOM 270 OH TYR A 16 9.880 -13.999 2.378 1.00 0.00 O ATOM 0 H TYR A 16 10.136 -7.179 -1.917 1.00 0.00 H new ATOM 0 HA TYR A 16 9.425 -9.949 -2.272 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.185 -8.867 -0.751 1.00 0.00 H new ATOM 0 HB3 TYR A 16 9.886 -8.233 0.240 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.480 -9.732 1.607 1.00 0.00 H new ATOM 0 HD2 TYR A 16 11.681 -11.278 -0.806 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.358 -11.888 2.826 1.00 0.00 H new ATOM 0 HE2 TYR A 16 11.558 -13.435 0.413 1.00 0.00 H new ATOM 0 HH TYR A 16 10.551 -14.617 2.020 1.00 0.00 H new ATOM 280 N TRP A 17 7.108 -8.103 -0.947 1.00 0.00 N ATOM 281 CA TRP A 17 5.701 -8.149 -0.447 1.00 0.00 C ATOM 282 C TRP A 17 4.719 -8.025 -1.616 1.00 0.00 C ATOM 283 O TRP A 17 3.667 -7.428 -1.493 1.00 0.00 O ATOM 284 CB TRP A 17 5.572 -6.945 0.489 1.00 0.00 C ATOM 285 CG TRP A 17 6.506 -7.109 1.645 1.00 0.00 C ATOM 286 CD1 TRP A 17 6.360 -8.015 2.639 1.00 0.00 C ATOM 287 CD2 TRP A 17 7.722 -6.364 1.945 1.00 0.00 C ATOM 288 NE1 TRP A 17 7.410 -7.875 3.530 1.00 0.00 N ATOM 289 CE2 TRP A 17 8.276 -6.870 3.145 1.00 0.00 C ATOM 290 CE3 TRP A 17 8.392 -5.311 1.297 1.00 0.00 C ATOM 291 CZ2 TRP A 17 9.452 -6.348 3.684 1.00 0.00 C ATOM 292 CZ3 TRP A 17 9.577 -4.783 1.837 1.00 0.00 C ATOM 293 CH2 TRP A 17 10.105 -5.301 3.029 1.00 0.00 C ATOM 0 H TRP A 17 7.486 -7.166 -1.089 1.00 0.00 H new ATOM 0 HA TRP A 17 5.475 -9.087 0.061 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.802 -6.026 -0.050 1.00 0.00 H new ATOM 0 HB3 TRP A 17 4.546 -6.857 0.846 1.00 0.00 H new ATOM 0 HD1 TRP A 17 5.556 -8.731 2.724 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.530 -8.444 4.368 1.00 0.00 H new ATOM 0 HE3 TRP A 17 7.993 -4.906 0.379 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 9.855 -6.751 4.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 10.084 -3.974 1.332 1.00 0.00 H new ATOM 0 HH2 TRP A 17 11.016 -4.891 3.440 1.00 0.00 H new ATOM 304 N PHE A 18 5.029 -8.643 -2.729 1.00 0.00 N ATOM 305 CA PHE A 18 4.083 -8.629 -3.888 1.00 0.00 C ATOM 306 C PHE A 18 2.879 -9.529 -3.597 1.00 0.00 C ATOM 307 O PHE A 18 2.941 -10.415 -2.765 1.00 0.00 O ATOM 308 CB PHE A 18 4.888 -9.176 -5.068 1.00 0.00 C ATOM 309 CG PHE A 18 4.053 -9.101 -6.325 1.00 0.00 C ATOM 310 CD1 PHE A 18 3.633 -7.860 -6.814 1.00 0.00 C ATOM 311 CD2 PHE A 18 3.698 -10.276 -7.000 1.00 0.00 C ATOM 312 CE1 PHE A 18 2.859 -7.790 -7.978 1.00 0.00 C ATOM 313 CE2 PHE A 18 2.924 -10.207 -8.165 1.00 0.00 C ATOM 314 CZ PHE A 18 2.505 -8.964 -8.653 1.00 0.00 C ATOM 0 H PHE A 18 5.896 -9.157 -2.885 1.00 0.00 H new ATOM 0 HA PHE A 18 3.694 -7.631 -4.090 1.00 0.00 H new ATOM 0 HB2 PHE A 18 5.806 -8.602 -5.193 1.00 0.00 H new ATOM 0 HB3 PHE A 18 5.182 -10.208 -4.875 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.906 -6.954 -6.293 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.021 -11.235 -6.622 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.535 -6.831 -8.355 1.00 0.00 H new ATOM 0 HE2 PHE A 18 2.651 -11.112 -8.687 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.908 -8.911 -9.551 1.00 0.00 H new ATOM 324 N GLN A 19 1.784 -9.316 -4.290 1.00 0.00 N ATOM 325 CA GLN A 19 0.561 -10.162 -4.079 1.00 0.00 C ATOM 326 C GLN A 19 0.176 -10.202 -2.595 1.00 0.00 C ATOM 327 O GLN A 19 -0.449 -11.139 -2.134 1.00 0.00 O ATOM 328 CB GLN A 19 0.944 -11.562 -4.572 1.00 0.00 C ATOM 329 CG GLN A 19 0.512 -11.724 -6.032 1.00 0.00 C ATOM 330 CD GLN A 19 0.636 -13.194 -6.439 1.00 0.00 C ATOM 331 OE1 GLN A 19 0.061 -14.062 -5.811 1.00 0.00 O ATOM 332 NE2 GLN A 19 1.366 -13.512 -7.473 1.00 0.00 N ATOM 0 H GLN A 19 1.683 -8.588 -4.997 1.00 0.00 H new ATOM 0 HA GLN A 19 -0.301 -9.763 -4.615 1.00 0.00 H new ATOM 0 HB2 GLN A 19 2.020 -11.709 -4.481 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.465 -12.321 -3.953 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.517 -11.386 -6.158 1.00 0.00 H new ATOM 0 HG3 GLN A 19 1.133 -11.103 -6.678 1.00 0.00 H new ATOM 0 HE21 GLN A 19 1.848 -12.784 -8.000 1.00 0.00 H new ATOM 0 HE22 GLN A 19 1.454 -14.489 -7.754 1.00 0.00 H new ATOM 341 N ASP A 20 0.516 -9.176 -1.858 1.00 0.00 N ATOM 342 CA ASP A 20 0.141 -9.127 -0.412 1.00 0.00 C ATOM 343 C ASP A 20 -0.576 -7.812 -0.096 1.00 0.00 C ATOM 344 O ASP A 20 -0.268 -6.777 -0.657 1.00 0.00 O ATOM 345 CB ASP A 20 1.468 -9.209 0.343 1.00 0.00 C ATOM 346 CG ASP A 20 1.757 -10.666 0.711 1.00 0.00 C ATOM 347 OD1 ASP A 20 1.514 -11.525 -0.119 1.00 0.00 O ATOM 348 OD2 ASP A 20 2.217 -10.896 1.817 1.00 0.00 O ATOM 0 H ASP A 20 1.039 -8.368 -2.196 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.538 -9.933 -0.133 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.274 -8.812 -0.273 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.424 -8.597 1.244 1.00 0.00 H new ATOM 353 N VAL A 21 -1.513 -7.844 0.818 1.00 0.00 N ATOM 354 CA VAL A 21 -2.237 -6.593 1.201 1.00 0.00 C ATOM 355 C VAL A 21 -1.532 -5.923 2.386 1.00 0.00 C ATOM 356 O VAL A 21 -1.682 -6.335 3.520 1.00 0.00 O ATOM 357 CB VAL A 21 -3.646 -7.050 1.595 1.00 0.00 C ATOM 358 CG1 VAL A 21 -4.487 -5.837 2.002 1.00 0.00 C ATOM 359 CG2 VAL A 21 -4.311 -7.747 0.405 1.00 0.00 C ATOM 0 H VAL A 21 -1.808 -8.684 1.316 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.263 -5.863 0.392 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.576 -7.743 2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.488 -6.166 2.281 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.019 -5.338 2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.554 -5.143 1.164 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.313 -8.071 0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.377 -7.053 -0.433 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.718 -8.614 0.113 1.00 0.00 H new ATOM 369 N GLY A 22 -0.783 -4.880 2.128 1.00 0.00 N ATOM 370 CA GLY A 22 -0.086 -4.161 3.234 1.00 0.00 C ATOM 371 C GLY A 22 -0.942 -2.980 3.696 1.00 0.00 C ATOM 372 O GLY A 22 -1.977 -2.693 3.123 1.00 0.00 O ATOM 0 H GLY A 22 -0.625 -4.496 1.196 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.094 -4.841 4.067 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.888 -3.807 2.895 1.00 0.00 H new ATOM 376 N THR A 23 -0.502 -2.279 4.709 1.00 0.00 N ATOM 377 CA THR A 23 -1.269 -1.094 5.197 1.00 0.00 C ATOM 378 C THR A 23 -0.497 0.195 4.897 1.00 0.00 C ATOM 379 O THR A 23 0.719 0.217 4.916 1.00 0.00 O ATOM 380 CB THR A 23 -1.402 -1.301 6.706 1.00 0.00 C ATOM 381 OG1 THR A 23 -1.791 -2.643 6.965 1.00 0.00 O ATOM 382 CG2 THR A 23 -2.457 -0.345 7.265 1.00 0.00 C ATOM 0 H THR A 23 0.358 -2.477 5.221 1.00 0.00 H new ATOM 0 HA THR A 23 -2.241 -1.003 4.712 1.00 0.00 H new ATOM 0 HB THR A 23 -0.444 -1.100 7.186 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.875 -2.778 7.932 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.550 -0.494 8.341 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.157 0.684 7.066 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.417 -0.542 6.787 1.00 0.00 H new ATOM 390 N VAL A 24 -1.199 1.270 4.647 1.00 0.00 N ATOM 391 CA VAL A 24 -0.516 2.571 4.373 1.00 0.00 C ATOM 392 C VAL A 24 -0.157 3.261 5.694 1.00 0.00 C ATOM 393 O VAL A 24 -1.011 3.511 6.524 1.00 0.00 O ATOM 394 CB VAL A 24 -1.535 3.402 3.586 1.00 0.00 C ATOM 395 CG1 VAL A 24 -0.931 4.766 3.239 1.00 0.00 C ATOM 396 CG2 VAL A 24 -1.902 2.672 2.291 1.00 0.00 C ATOM 0 H VAL A 24 -2.218 1.304 4.621 1.00 0.00 H new ATOM 0 HA VAL A 24 0.413 2.443 3.817 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.428 3.542 4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.658 5.354 2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.668 5.292 4.157 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.036 4.624 2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.627 3.264 1.732 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.006 2.531 1.687 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.335 1.701 2.531 1.00 0.00 H new ATOM 406 N ALA A 25 1.095 3.594 5.878 1.00 0.00 N ATOM 407 CA ALA A 25 1.514 4.298 7.126 1.00 0.00 C ATOM 408 C ALA A 25 1.316 5.808 6.975 1.00 0.00 C ATOM 409 O ALA A 25 0.800 6.466 7.858 1.00 0.00 O ATOM 410 CB ALA A 25 2.998 3.965 7.290 1.00 0.00 C ATOM 0 H ALA A 25 1.847 3.408 5.215 1.00 0.00 H new ATOM 0 HA ALA A 25 0.928 3.987 7.991 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.382 4.448 8.189 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.121 2.885 7.377 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.550 4.324 6.421 1.00 0.00 H new ATOM 416 N SER A 26 1.697 6.354 5.847 1.00 0.00 N ATOM 417 CA SER A 26 1.505 7.817 5.614 1.00 0.00 C ATOM 418 C SER A 26 1.740 8.152 4.139 1.00 0.00 C ATOM 419 O SER A 26 2.542 7.526 3.473 1.00 0.00 O ATOM 420 CB SER A 26 2.553 8.498 6.493 1.00 0.00 C ATOM 421 OG SER A 26 2.047 8.623 7.815 1.00 0.00 O ATOM 0 H SER A 26 2.134 5.848 5.076 1.00 0.00 H new ATOM 0 HA SER A 26 0.494 8.146 5.857 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.475 7.916 6.497 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.799 9.481 6.091 1.00 0.00 H new ATOM 0 HG SER A 26 1.226 8.095 7.902 1.00 0.00 H new ATOM 427 N VAL A 27 1.066 9.155 3.636 1.00 0.00 N ATOM 428 CA VAL A 27 1.267 9.562 2.211 1.00 0.00 C ATOM 429 C VAL A 27 2.030 10.888 2.149 1.00 0.00 C ATOM 430 O VAL A 27 1.569 11.902 2.637 1.00 0.00 O ATOM 431 CB VAL A 27 -0.146 9.721 1.637 1.00 0.00 C ATOM 432 CG1 VAL A 27 -0.061 10.128 0.163 1.00 0.00 C ATOM 433 CG2 VAL A 27 -0.899 8.392 1.749 1.00 0.00 C ATOM 0 H VAL A 27 0.384 9.711 4.151 1.00 0.00 H new ATOM 0 HA VAL A 27 1.850 8.833 1.649 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.675 10.491 2.199 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.067 10.240 -0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.472 11.075 0.077 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.472 9.359 -0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.903 8.507 1.341 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.366 7.623 1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.965 8.098 2.797 1.00 0.00 H new ATOM 509 N LYS A 33 10.221 9.010 -5.011 1.00 0.00 N ATOM 510 CA LYS A 33 10.022 7.824 -5.903 1.00 0.00 C ATOM 511 C LYS A 33 8.707 7.114 -5.562 1.00 0.00 C ATOM 512 O LYS A 33 8.085 6.505 -6.413 1.00 0.00 O ATOM 513 CB LYS A 33 11.222 6.905 -5.635 1.00 0.00 C ATOM 514 CG LYS A 33 11.265 6.514 -4.153 1.00 0.00 C ATOM 515 CD LYS A 33 12.293 5.400 -3.949 1.00 0.00 C ATOM 516 CE LYS A 33 13.690 6.011 -3.815 1.00 0.00 C ATOM 517 NZ LYS A 33 13.800 6.407 -2.384 1.00 0.00 N ATOM 0 HA LYS A 33 9.962 8.109 -6.953 1.00 0.00 H new ATOM 0 HB2 LYS A 33 11.150 6.010 -6.253 1.00 0.00 H new ATOM 0 HB3 LYS A 33 12.147 7.411 -5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 33 11.526 7.380 -3.545 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.281 6.180 -3.825 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.049 4.825 -3.056 1.00 0.00 H new ATOM 0 HD3 LYS A 33 12.267 4.708 -4.791 1.00 0.00 H new ATOM 0 HE2 LYS A 33 14.463 5.292 -4.086 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.810 6.872 -4.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.401 7.252 -2.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.853 6.618 -2.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.223 5.628 -1.840 1.00 0.00 H new ATOM 531 N TYR A 34 8.260 7.225 -4.336 1.00 0.00 N ATOM 532 CA TYR A 34 6.961 6.599 -3.946 1.00 0.00 C ATOM 533 C TYR A 34 6.204 7.514 -2.969 1.00 0.00 C ATOM 534 O TYR A 34 6.462 7.487 -1.782 1.00 0.00 O ATOM 535 CB TYR A 34 7.345 5.285 -3.262 1.00 0.00 C ATOM 536 CG TYR A 34 7.981 4.355 -4.268 1.00 0.00 C ATOM 537 CD1 TYR A 34 7.314 4.046 -5.462 1.00 0.00 C ATOM 538 CD2 TYR A 34 9.239 3.799 -4.007 1.00 0.00 C ATOM 539 CE1 TYR A 34 7.905 3.184 -6.391 1.00 0.00 C ATOM 540 CE2 TYR A 34 9.830 2.936 -4.938 1.00 0.00 C ATOM 541 CZ TYR A 34 9.164 2.629 -6.130 1.00 0.00 C ATOM 542 OH TYR A 34 9.746 1.778 -7.048 1.00 0.00 O ATOM 0 H TYR A 34 8.741 7.724 -3.587 1.00 0.00 H new ATOM 0 HA TYR A 34 6.306 6.437 -4.802 1.00 0.00 H new ATOM 0 HB2 TYR A 34 8.037 5.479 -2.443 1.00 0.00 H new ATOM 0 HB3 TYR A 34 6.461 4.818 -2.828 1.00 0.00 H new ATOM 0 HD1 TYR A 34 6.343 4.474 -5.664 1.00 0.00 H new ATOM 0 HD2 TYR A 34 9.754 4.036 -3.088 1.00 0.00 H new ATOM 0 HE1 TYR A 34 7.390 2.946 -7.310 1.00 0.00 H new ATOM 0 HE2 TYR A 34 10.800 2.507 -4.736 1.00 0.00 H new ATOM 0 HH TYR A 34 10.697 1.671 -6.838 1.00 0.00 H new ATOM 552 N PRO A 35 5.287 8.304 -3.496 1.00 0.00 N ATOM 553 CA PRO A 35 4.495 9.232 -2.637 1.00 0.00 C ATOM 554 C PRO A 35 3.842 8.484 -1.468 1.00 0.00 C ATOM 555 O PRO A 35 3.726 9.009 -0.376 1.00 0.00 O ATOM 556 CB PRO A 35 3.429 9.778 -3.585 1.00 0.00 C ATOM 557 CG PRO A 35 4.018 9.636 -4.950 1.00 0.00 C ATOM 558 CD PRO A 35 4.902 8.419 -4.914 1.00 0.00 C ATOM 0 HA PRO A 35 5.110 10.012 -2.187 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.498 9.218 -3.497 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.197 10.819 -3.361 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.235 9.524 -5.700 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.591 10.523 -5.218 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.373 7.530 -5.258 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.774 8.539 -5.557 1.00 0.00 H new ATOM 566 N VAL A 36 3.326 7.307 -1.719 1.00 0.00 N ATOM 567 CA VAL A 36 2.571 6.573 -0.656 1.00 0.00 C ATOM 568 C VAL A 36 3.507 5.612 0.083 1.00 0.00 C ATOM 569 O VAL A 36 4.224 4.842 -0.527 1.00 0.00 O ATOM 570 CB VAL A 36 1.475 5.799 -1.400 1.00 0.00 C ATOM 571 CG1 VAL A 36 0.610 5.033 -0.395 1.00 0.00 C ATOM 572 CG2 VAL A 36 0.591 6.779 -2.179 1.00 0.00 C ATOM 0 H VAL A 36 3.395 6.822 -2.614 1.00 0.00 H new ATOM 0 HA VAL A 36 2.150 7.246 0.091 1.00 0.00 H new ATOM 0 HB VAL A 36 1.941 5.096 -2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.167 4.485 -0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.233 4.332 0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.148 5.736 0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.187 6.227 -2.707 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.130 7.483 -1.486 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.200 7.325 -2.899 1.00 0.00 H new ATOM 582 N ILE A 37 3.472 5.626 1.390 1.00 0.00 N ATOM 583 CA ILE A 37 4.323 4.685 2.180 1.00 0.00 C ATOM 584 C ILE A 37 3.489 3.482 2.633 1.00 0.00 C ATOM 585 O ILE A 37 2.406 3.633 3.165 1.00 0.00 O ATOM 586 CB ILE A 37 4.805 5.499 3.388 1.00 0.00 C ATOM 587 CG1 ILE A 37 5.617 6.706 2.904 1.00 0.00 C ATOM 588 CG2 ILE A 37 5.688 4.623 4.283 1.00 0.00 C ATOM 589 CD1 ILE A 37 5.355 7.900 3.824 1.00 0.00 C ATOM 0 H ILE A 37 2.889 6.251 1.947 1.00 0.00 H new ATOM 0 HA ILE A 37 5.159 4.293 1.600 1.00 0.00 H new ATOM 0 HB ILE A 37 3.940 5.843 3.955 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.680 6.464 2.898 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.342 6.956 1.879 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.028 5.205 5.140 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.114 3.765 4.632 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.551 4.276 3.715 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.932 8.758 3.480 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.293 8.146 3.807 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.652 7.647 4.842 1.00 0.00 H new ATOM 601 N VAL A 38 3.996 2.291 2.438 1.00 0.00 N ATOM 602 CA VAL A 38 3.247 1.072 2.871 1.00 0.00 C ATOM 603 C VAL A 38 4.021 0.348 3.978 1.00 0.00 C ATOM 604 O VAL A 38 5.217 0.145 3.880 1.00 0.00 O ATOM 605 CB VAL A 38 3.147 0.195 1.616 1.00 0.00 C ATOM 606 CG1 VAL A 38 2.380 -1.088 1.943 1.00 0.00 C ATOM 607 CG2 VAL A 38 2.405 0.958 0.514 1.00 0.00 C ATOM 0 H VAL A 38 4.898 2.110 1.997 1.00 0.00 H new ATOM 0 HA VAL A 38 2.263 1.311 3.274 1.00 0.00 H new ATOM 0 HB VAL A 38 4.151 -0.057 1.275 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.311 -1.708 1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.905 -1.636 2.726 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.377 -0.835 2.287 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.335 0.334 -0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.403 1.212 0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.949 1.872 0.275 1.00 0.00 H new ATOM 617 N ARG A 39 3.333 -0.093 5.000 1.00 0.00 N ATOM 618 CA ARG A 39 4.007 -0.864 6.088 1.00 0.00 C ATOM 619 C ARG A 39 3.636 -2.346 5.993 1.00 0.00 C ATOM 620 O ARG A 39 2.472 -2.701 5.965 1.00 0.00 O ATOM 621 CB ARG A 39 3.477 -0.260 7.389 1.00 0.00 C ATOM 622 CG ARG A 39 4.244 -0.847 8.576 1.00 0.00 C ATOM 623 CD ARG A 39 4.347 0.200 9.687 1.00 0.00 C ATOM 624 NE ARG A 39 5.145 -0.456 10.768 1.00 0.00 N ATOM 625 CZ ARG A 39 5.773 0.252 11.685 1.00 0.00 C ATOM 626 NH1 ARG A 39 5.693 1.563 11.719 1.00 0.00 N ATOM 627 NH2 ARG A 39 6.493 -0.363 12.584 1.00 0.00 N ATOM 0 H ARG A 39 2.331 0.048 5.128 1.00 0.00 H new ATOM 0 HA ARG A 39 5.094 -0.804 6.025 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.589 0.824 7.371 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.412 -0.469 7.492 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.735 -1.737 8.947 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.240 -1.157 8.261 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.837 1.106 9.330 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.360 0.491 10.047 1.00 0.00 H new ATOM 0 HE ARG A 39 5.205 -1.474 10.796 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.134 2.058 11.024 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.190 2.086 12.440 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.565 -1.380 12.571 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.984 0.174 13.299 1.00 0.00 H new ATOM 641 N PHE A 40 4.617 -3.210 5.938 1.00 0.00 N ATOM 642 CA PHE A 40 4.332 -4.672 5.838 1.00 0.00 C ATOM 643 C PHE A 40 4.470 -5.335 7.211 1.00 0.00 C ATOM 644 O PHE A 40 5.199 -4.865 8.064 1.00 0.00 O ATOM 645 CB PHE A 40 5.385 -5.216 4.872 1.00 0.00 C ATOM 646 CG PHE A 40 5.147 -4.647 3.493 1.00 0.00 C ATOM 647 CD1 PHE A 40 3.902 -4.811 2.873 1.00 0.00 C ATOM 648 CD2 PHE A 40 6.172 -3.956 2.836 1.00 0.00 C ATOM 649 CE1 PHE A 40 3.683 -4.283 1.595 1.00 0.00 C ATOM 650 CE2 PHE A 40 5.952 -3.428 1.558 1.00 0.00 C ATOM 651 CZ PHE A 40 4.708 -3.592 0.937 1.00 0.00 C ATOM 0 H PHE A 40 5.607 -2.964 5.958 1.00 0.00 H new ATOM 0 HA PHE A 40 3.318 -4.871 5.491 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.384 -4.950 5.219 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.337 -6.305 4.841 1.00 0.00 H new ATOM 0 HD1 PHE A 40 3.112 -5.344 3.380 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.132 -3.830 3.315 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.723 -4.409 1.116 1.00 0.00 H new ATOM 0 HE2 PHE A 40 6.742 -2.894 1.051 1.00 0.00 H new ATOM 0 HZ PHE A 40 4.539 -3.186 -0.049 1.00 0.00 H new ATOM 661 N GLU A 41 3.825 -6.458 7.403 1.00 0.00 N ATOM 662 CA GLU A 41 3.968 -7.200 8.691 1.00 0.00 C ATOM 663 C GLU A 41 4.983 -8.335 8.537 1.00 0.00 C ATOM 664 O GLU A 41 5.676 -8.689 9.472 1.00 0.00 O ATOM 665 CB GLU A 41 2.576 -7.761 8.982 1.00 0.00 C ATOM 666 CG GLU A 41 1.693 -6.657 9.567 1.00 0.00 C ATOM 667 CD GLU A 41 0.221 -7.004 9.334 1.00 0.00 C ATOM 668 OE1 GLU A 41 -0.296 -7.830 10.067 1.00 0.00 O ATOM 669 OE2 GLU A 41 -0.364 -6.437 8.426 1.00 0.00 O ATOM 0 H GLU A 41 3.204 -6.893 6.721 1.00 0.00 H new ATOM 0 HA GLU A 41 4.326 -6.561 9.498 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.131 -8.151 8.067 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.647 -8.594 9.682 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.888 -6.548 10.634 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.931 -5.701 9.100 1.00 0.00 H new ATOM 676 N LYS A 42 5.110 -8.870 7.350 1.00 0.00 N ATOM 677 CA LYS A 42 6.122 -9.943 7.108 1.00 0.00 C ATOM 678 C LYS A 42 7.508 -9.326 6.903 1.00 0.00 C ATOM 679 O LYS A 42 7.640 -8.133 6.702 1.00 0.00 O ATOM 680 CB LYS A 42 5.655 -10.649 5.835 1.00 0.00 C ATOM 681 CG LYS A 42 6.483 -11.918 5.622 1.00 0.00 C ATOM 682 CD LYS A 42 5.760 -12.841 4.638 1.00 0.00 C ATOM 683 CE LYS A 42 5.731 -12.191 3.253 1.00 0.00 C ATOM 684 NZ LYS A 42 4.389 -12.523 2.701 1.00 0.00 N ATOM 0 H LYS A 42 4.555 -8.609 6.535 1.00 0.00 H new ATOM 0 HA LYS A 42 6.203 -10.632 7.949 1.00 0.00 H new ATOM 0 HB2 LYS A 42 4.597 -10.901 5.913 1.00 0.00 H new ATOM 0 HB3 LYS A 42 5.762 -9.984 4.978 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.470 -11.661 5.237 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.635 -12.430 6.572 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.267 -13.805 4.588 1.00 0.00 H new ATOM 0 HD3 LYS A 42 4.744 -13.032 4.983 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.875 -11.113 3.320 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.527 -12.580 2.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.500 -13.022 1.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.879 -13.132 3.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.850 -11.647 2.549 1.00 0.00 H new ATOM 698 N VAL A 43 8.532 -10.140 6.893 1.00 0.00 N ATOM 699 CA VAL A 43 9.909 -9.618 6.632 1.00 0.00 C ATOM 700 C VAL A 43 10.384 -10.048 5.239 1.00 0.00 C ATOM 701 O VAL A 43 9.606 -10.506 4.423 1.00 0.00 O ATOM 702 CB VAL A 43 10.792 -10.235 7.722 1.00 0.00 C ATOM 703 CG1 VAL A 43 10.316 -9.753 9.095 1.00 0.00 C ATOM 704 CG2 VAL A 43 10.709 -11.767 7.667 1.00 0.00 C ATOM 0 H VAL A 43 8.475 -11.146 7.054 1.00 0.00 H new ATOM 0 HA VAL A 43 9.946 -8.529 6.656 1.00 0.00 H new ATOM 0 HB VAL A 43 11.825 -9.927 7.558 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.943 -10.191 9.872 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.385 -8.666 9.143 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.281 -10.058 9.249 1.00 0.00 H new ATOM 0 HG21 VAL A 43 11.341 -12.194 8.446 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.677 -12.081 7.824 1.00 0.00 H new ATOM 0 HG23 VAL A 43 11.050 -12.115 6.692 1.00 0.00 H new ATOM 714 N ASN A 44 11.659 -9.923 4.975 1.00 0.00 N ATOM 715 CA ASN A 44 12.200 -10.342 3.646 1.00 0.00 C ATOM 716 C ASN A 44 13.675 -10.736 3.774 1.00 0.00 C ATOM 717 O ASN A 44 14.167 -10.976 4.861 1.00 0.00 O ATOM 718 CB ASN A 44 12.040 -9.117 2.737 1.00 0.00 C ATOM 719 CG ASN A 44 12.790 -7.919 3.329 1.00 0.00 C ATOM 720 OD1 ASN A 44 12.571 -7.552 4.466 1.00 0.00 O ATOM 721 ND2 ASN A 44 13.671 -7.290 2.600 1.00 0.00 N ATOM 0 H ASN A 44 12.351 -9.548 5.624 1.00 0.00 H new ATOM 0 HA ASN A 44 11.676 -11.209 3.245 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.424 -9.341 1.742 1.00 0.00 H new ATOM 0 HB3 ASN A 44 10.983 -8.874 2.624 1.00 0.00 H new ATOM 0 HD21 ASN A 44 14.175 -6.491 2.985 1.00 0.00 H new ATOM 0 HD22 ASN A 44 13.856 -7.597 1.645 1.00 0.00 H new ATOM 728 N TYR A 45 14.342 -10.926 2.664 1.00 0.00 N ATOM 729 CA TYR A 45 15.743 -11.451 2.706 1.00 0.00 C ATOM 730 C TYR A 45 16.647 -10.494 3.486 1.00 0.00 C ATOM 731 O TYR A 45 17.660 -10.891 4.032 1.00 0.00 O ATOM 732 CB TYR A 45 16.188 -11.534 1.243 1.00 0.00 C ATOM 733 CG TYR A 45 15.342 -12.550 0.516 1.00 0.00 C ATOM 734 CD1 TYR A 45 15.280 -13.870 0.980 1.00 0.00 C ATOM 735 CD2 TYR A 45 14.618 -12.174 -0.621 1.00 0.00 C ATOM 736 CE1 TYR A 45 14.496 -14.813 0.305 1.00 0.00 C ATOM 737 CE2 TYR A 45 13.834 -13.117 -1.296 1.00 0.00 C ATOM 738 CZ TYR A 45 13.772 -14.437 -0.833 1.00 0.00 C ATOM 739 OH TYR A 45 12.999 -15.366 -1.499 1.00 0.00 O ATOM 0 H TYR A 45 13.978 -10.741 1.729 1.00 0.00 H new ATOM 0 HA TYR A 45 15.800 -12.419 3.203 1.00 0.00 H new ATOM 0 HB2 TYR A 45 16.092 -10.558 0.767 1.00 0.00 H new ATOM 0 HB3 TYR A 45 17.240 -11.814 1.187 1.00 0.00 H new ATOM 0 HD1 TYR A 45 15.837 -14.160 1.859 1.00 0.00 H new ATOM 0 HD2 TYR A 45 14.664 -11.156 -0.978 1.00 0.00 H new ATOM 0 HE1 TYR A 45 14.450 -15.831 0.662 1.00 0.00 H new ATOM 0 HE2 TYR A 45 13.277 -12.826 -2.174 1.00 0.00 H new ATOM 0 HH TYR A 45 12.563 -14.939 -2.266 1.00 0.00 H new ATOM 749 N SER A 46 16.323 -9.226 3.488 1.00 0.00 N ATOM 750 CA SER A 46 17.198 -8.222 4.166 1.00 0.00 C ATOM 751 C SER A 46 16.815 -8.097 5.643 1.00 0.00 C ATOM 752 O SER A 46 17.620 -7.706 6.469 1.00 0.00 O ATOM 753 CB SER A 46 16.938 -6.908 3.431 1.00 0.00 C ATOM 754 OG SER A 46 16.893 -7.154 2.032 1.00 0.00 O ATOM 0 H SER A 46 15.487 -8.841 3.048 1.00 0.00 H new ATOM 0 HA SER A 46 18.250 -8.504 4.135 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.997 -6.471 3.766 1.00 0.00 H new ATOM 0 HB3 SER A 46 17.724 -6.188 3.660 1.00 0.00 H new ATOM 0 HG SER A 46 16.725 -6.313 1.557 1.00 0.00 H new ATOM 760 N GLY A 47 15.573 -8.351 5.968 1.00 0.00 N ATOM 761 CA GLY A 47 15.107 -8.167 7.374 1.00 0.00 C ATOM 762 C GLY A 47 14.392 -6.821 7.502 1.00 0.00 C ATOM 763 O GLY A 47 14.425 -6.187 8.539 1.00 0.00 O ATOM 0 H GLY A 47 14.860 -8.679 5.317 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.433 -8.977 7.654 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.955 -8.207 8.058 1.00 0.00 H new ATOM 767 N ILE A 55 13.758 -6.376 6.447 1.00 0.00 N ATOM 768 CA ILE A 55 13.049 -5.061 6.488 1.00 0.00 C ATOM 769 C ILE A 55 11.568 -5.277 6.814 1.00 0.00 C ATOM 770 O ILE A 55 11.027 -6.346 6.603 1.00 0.00 O ATOM 771 CB ILE A 55 13.215 -4.474 5.081 1.00 0.00 C ATOM 772 CG1 ILE A 55 14.705 -4.299 4.771 1.00 0.00 C ATOM 773 CG2 ILE A 55 12.522 -3.112 5.003 1.00 0.00 C ATOM 774 CD1 ILE A 55 14.890 -4.082 3.268 1.00 0.00 C ATOM 0 H ILE A 55 13.701 -6.869 5.556 1.00 0.00 H new ATOM 0 HA ILE A 55 13.450 -4.395 7.252 1.00 0.00 H new ATOM 0 HB ILE A 55 12.766 -5.153 4.356 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.105 -3.449 5.324 1.00 0.00 H new ATOM 0 HG13 ILE A 55 15.261 -5.180 5.093 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.643 -2.699 4.001 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.461 -3.231 5.221 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.968 -2.434 5.731 1.00 0.00 H new ATOM 0 HD11 ILE A 55 15.950 -3.957 3.046 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.505 -4.945 2.726 1.00 0.00 H new ATOM 0 HD13 ILE A 55 14.347 -3.188 2.960 1.00 0.00 H new ATOM 786 N ASN A 56 10.897 -4.249 7.270 1.00 0.00 N ATOM 787 CA ASN A 56 9.432 -4.364 7.545 1.00 0.00 C ATOM 788 C ASN A 56 8.688 -3.092 7.108 1.00 0.00 C ATOM 789 O ASN A 56 7.541 -2.889 7.465 1.00 0.00 O ATOM 790 CB ASN A 56 9.328 -4.559 9.062 1.00 0.00 C ATOM 791 CG ASN A 56 9.942 -3.358 9.794 1.00 0.00 C ATOM 792 OD1 ASN A 56 10.634 -2.553 9.201 1.00 0.00 O ATOM 793 ND2 ASN A 56 9.715 -3.203 11.069 1.00 0.00 N ATOM 0 H ASN A 56 11.302 -3.333 7.464 1.00 0.00 H new ATOM 0 HA ASN A 56 8.979 -5.187 6.993 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.283 -4.675 9.350 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.843 -5.474 9.354 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.118 -2.408 11.566 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.135 -3.877 11.569 1.00 0.00 H new ATOM 800 N THR A 57 9.315 -2.249 6.322 1.00 0.00 N ATOM 801 CA THR A 57 8.630 -1.012 5.843 1.00 0.00 C ATOM 802 C THR A 57 9.212 -0.572 4.497 1.00 0.00 C ATOM 803 O THR A 57 10.413 -0.572 4.303 1.00 0.00 O ATOM 804 CB THR A 57 8.908 0.040 6.917 1.00 0.00 C ATOM 805 OG1 THR A 57 10.301 0.072 7.196 1.00 0.00 O ATOM 806 CG2 THR A 57 8.137 -0.311 8.191 1.00 0.00 C ATOM 0 H THR A 57 10.273 -2.367 5.993 1.00 0.00 H new ATOM 0 HA THR A 57 7.562 -1.166 5.692 1.00 0.00 H new ATOM 0 HB THR A 57 8.586 1.018 6.560 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.798 -0.260 6.419 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.336 0.440 8.955 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.069 -0.334 7.975 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.456 -1.289 8.551 1.00 0.00 H new ATOM 814 N ASN A 58 8.372 -0.143 3.589 1.00 0.00 N ATOM 815 CA ASN A 58 8.872 0.364 2.276 1.00 0.00 C ATOM 816 C ASN A 58 7.931 1.441 1.732 1.00 0.00 C ATOM 817 O ASN A 58 6.895 1.718 2.307 1.00 0.00 O ATOM 818 CB ASN A 58 8.879 -0.858 1.357 1.00 0.00 C ATOM 819 CG ASN A 58 10.276 -1.482 1.343 1.00 0.00 C ATOM 820 OD1 ASN A 58 10.706 -2.057 2.323 1.00 0.00 O ATOM 821 ND2 ASN A 58 11.007 -1.391 0.266 1.00 0.00 N ATOM 0 H ASN A 58 7.358 -0.122 3.701 1.00 0.00 H new ATOM 0 HA ASN A 58 9.860 0.818 2.357 1.00 0.00 H new ATOM 0 HB2 ASN A 58 8.147 -1.589 1.701 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.589 -0.568 0.347 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.940 -1.803 0.247 1.00 0.00 H new ATOM 0 HD22 ASN A 58 10.645 -0.908 -0.556 1.00 0.00 H new ATOM 828 N ASN A 59 8.280 2.039 0.622 1.00 0.00 N ATOM 829 CA ASN A 59 7.404 3.091 0.023 1.00 0.00 C ATOM 830 C ASN A 59 6.972 2.682 -1.387 1.00 0.00 C ATOM 831 O ASN A 59 7.759 2.169 -2.161 1.00 0.00 O ATOM 832 CB ASN A 59 8.272 4.349 -0.025 1.00 0.00 C ATOM 833 CG ASN A 59 8.617 4.788 1.399 1.00 0.00 C ATOM 834 OD1 ASN A 59 8.877 3.965 2.255 1.00 0.00 O ATOM 835 ND2 ASN A 59 8.631 6.060 1.691 1.00 0.00 N ATOM 0 H ASN A 59 9.136 1.844 0.103 1.00 0.00 H new ATOM 0 HA ASN A 59 6.492 3.246 0.600 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.185 4.152 -0.587 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.744 5.148 -0.545 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.860 6.363 2.637 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.413 6.751 0.973 1.00 0.00 H new ATOM 842 N PHE A 60 5.724 2.899 -1.721 1.00 0.00 N ATOM 843 CA PHE A 60 5.229 2.519 -3.078 1.00 0.00 C ATOM 844 C PHE A 60 4.409 3.661 -3.681 1.00 0.00 C ATOM 845 O PHE A 60 3.904 4.515 -2.976 1.00 0.00 O ATOM 846 CB PHE A 60 4.348 1.290 -2.849 1.00 0.00 C ATOM 847 CG PHE A 60 5.185 0.164 -2.291 1.00 0.00 C ATOM 848 CD1 PHE A 60 5.480 0.122 -0.924 1.00 0.00 C ATOM 849 CD2 PHE A 60 5.667 -0.838 -3.142 1.00 0.00 C ATOM 850 CE1 PHE A 60 6.257 -0.923 -0.406 1.00 0.00 C ATOM 851 CE2 PHE A 60 6.444 -1.882 -2.625 1.00 0.00 C ATOM 852 CZ PHE A 60 6.739 -1.923 -1.257 1.00 0.00 C ATOM 0 H PHE A 60 5.026 3.324 -1.110 1.00 0.00 H new ATOM 0 HA PHE A 60 6.044 2.313 -3.772 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.540 1.533 -2.159 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.885 0.982 -3.786 1.00 0.00 H new ATOM 0 HD1 PHE A 60 5.109 0.895 -0.268 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.439 -0.806 -4.197 1.00 0.00 H new ATOM 0 HE1 PHE A 60 6.483 -0.956 0.649 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.816 -2.655 -3.281 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.339 -2.727 -0.858 1.00 0.00 H new ATOM 862 N ALA A 61 4.251 3.667 -4.981 1.00 0.00 N ATOM 863 CA ALA A 61 3.438 4.733 -5.639 1.00 0.00 C ATOM 864 C ALA A 61 1.950 4.375 -5.577 1.00 0.00 C ATOM 865 O ALA A 61 1.582 3.216 -5.590 1.00 0.00 O ATOM 866 CB ALA A 61 3.922 4.764 -7.088 1.00 0.00 C ATOM 0 H ALA A 61 4.652 2.977 -5.616 1.00 0.00 H new ATOM 0 HA ALA A 61 3.553 5.701 -5.151 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.370 5.525 -7.640 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.986 4.999 -7.111 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.755 3.790 -7.548 1.00 0.00 H new ATOM 872 N GLU A 62 1.096 5.365 -5.494 1.00 0.00 N ATOM 873 CA GLU A 62 -0.373 5.090 -5.412 1.00 0.00 C ATOM 874 C GLU A 62 -0.844 4.315 -6.648 1.00 0.00 C ATOM 875 O GLU A 62 -1.784 3.545 -6.585 1.00 0.00 O ATOM 876 CB GLU A 62 -1.045 6.468 -5.345 1.00 0.00 C ATOM 877 CG GLU A 62 -0.681 7.292 -6.585 1.00 0.00 C ATOM 878 CD GLU A 62 -1.569 8.535 -6.650 1.00 0.00 C ATOM 879 OE1 GLU A 62 -1.493 9.343 -5.740 1.00 0.00 O ATOM 880 OE2 GLU A 62 -2.313 8.658 -7.610 1.00 0.00 O ATOM 0 H GLU A 62 1.352 6.352 -5.479 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.624 4.479 -4.545 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.127 6.351 -5.281 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.727 6.993 -4.444 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.369 7.584 -6.546 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.812 6.691 -7.485 1.00 0.00 H new ATOM 887 N ASP A 63 -0.159 4.470 -7.754 1.00 0.00 N ATOM 888 CA ASP A 63 -0.521 3.693 -8.981 1.00 0.00 C ATOM 889 C ASP A 63 -0.184 2.208 -8.794 1.00 0.00 C ATOM 890 O ASP A 63 -0.774 1.349 -9.421 1.00 0.00 O ATOM 891 CB ASP A 63 0.317 4.303 -10.112 1.00 0.00 C ATOM 892 CG ASP A 63 1.808 4.196 -9.778 1.00 0.00 C ATOM 893 OD1 ASP A 63 2.371 3.137 -9.997 1.00 0.00 O ATOM 894 OD2 ASP A 63 2.361 5.177 -9.309 1.00 0.00 O ATOM 0 H ASP A 63 0.635 5.101 -7.861 1.00 0.00 H new ATOM 0 HA ASP A 63 -1.588 3.747 -9.197 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.108 3.787 -11.049 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.043 5.348 -10.256 1.00 0.00 H new ATOM 899 N GLU A 64 0.757 1.904 -7.934 1.00 0.00 N ATOM 900 CA GLU A 64 1.132 0.476 -7.700 1.00 0.00 C ATOM 901 C GLU A 64 0.400 -0.072 -6.471 1.00 0.00 C ATOM 902 O GLU A 64 0.866 -0.991 -5.822 1.00 0.00 O ATOM 903 CB GLU A 64 2.641 0.498 -7.457 1.00 0.00 C ATOM 904 CG GLU A 64 3.376 0.499 -8.799 1.00 0.00 C ATOM 905 CD GLU A 64 4.689 1.273 -8.663 1.00 0.00 C ATOM 906 OE1 GLU A 64 4.709 2.242 -7.922 1.00 0.00 O ATOM 907 OE2 GLU A 64 5.652 0.882 -9.302 1.00 0.00 O ATOM 0 H GLU A 64 1.282 2.584 -7.384 1.00 0.00 H new ATOM 0 HA GLU A 64 0.862 -0.163 -8.541 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.914 1.382 -6.881 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.938 -0.370 -6.869 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.576 -0.524 -9.116 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.751 0.955 -9.567 1.00 0.00 H new ATOM 914 N LEU A 65 -0.757 0.460 -6.169 1.00 0.00 N ATOM 915 CA LEU A 65 -1.544 -0.051 -5.007 1.00 0.00 C ATOM 916 C LEU A 65 -3.031 -0.127 -5.366 1.00 0.00 C ATOM 917 O LEU A 65 -3.654 0.871 -5.674 1.00 0.00 O ATOM 918 CB LEU A 65 -1.313 0.969 -3.891 1.00 0.00 C ATOM 919 CG LEU A 65 0.132 0.874 -3.401 1.00 0.00 C ATOM 920 CD1 LEU A 65 0.402 1.990 -2.390 1.00 0.00 C ATOM 921 CD2 LEU A 65 0.354 -0.483 -2.729 1.00 0.00 C ATOM 0 H LEU A 65 -1.192 1.229 -6.679 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.238 -1.054 -4.711 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.519 1.975 -4.256 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.001 0.783 -3.066 1.00 0.00 H new ATOM 0 HG LEU A 65 0.810 0.977 -4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.432 1.923 -2.040 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.243 2.958 -2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.276 1.886 -1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.384 -0.552 -2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.324 -0.585 -1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.161 -1.280 -3.447 1.00 0.00 H new ATOM 933 N VAL A 66 -3.614 -1.295 -5.262 1.00 0.00 N ATOM 934 CA VAL A 66 -5.080 -1.432 -5.522 1.00 0.00 C ATOM 935 C VAL A 66 -5.846 -1.452 -4.195 1.00 0.00 C ATOM 936 O VAL A 66 -5.345 -1.916 -3.188 1.00 0.00 O ATOM 937 CB VAL A 66 -5.234 -2.768 -6.257 1.00 0.00 C ATOM 938 CG1 VAL A 66 -6.709 -3.009 -6.586 1.00 0.00 C ATOM 939 CG2 VAL A 66 -4.428 -2.733 -7.559 1.00 0.00 C ATOM 0 H VAL A 66 -3.138 -2.160 -5.008 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.477 -0.603 -6.108 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.866 -3.572 -5.619 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.815 -3.960 -7.109 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -7.288 -3.036 -5.663 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.076 -2.203 -7.221 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -4.538 -3.684 -8.081 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.796 -1.926 -8.193 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -3.376 -2.564 -7.331 1.00 0.00 H new ATOM 949 N GLU A 67 -7.060 -0.963 -4.194 1.00 0.00 N ATOM 950 CA GLU A 67 -7.873 -0.964 -2.941 1.00 0.00 C ATOM 951 C GLU A 67 -8.527 -2.333 -2.734 1.00 0.00 C ATOM 952 O GLU A 67 -9.182 -2.855 -3.616 1.00 0.00 O ATOM 953 CB GLU A 67 -8.938 0.112 -3.157 1.00 0.00 C ATOM 954 CG GLU A 67 -9.210 0.836 -1.838 1.00 0.00 C ATOM 955 CD GLU A 67 -10.145 -0.011 -0.973 1.00 0.00 C ATOM 956 OE1 GLU A 67 -11.188 -0.402 -1.471 1.00 0.00 O ATOM 957 OE2 GLU A 67 -9.803 -0.254 0.173 1.00 0.00 O ATOM 0 H GLU A 67 -7.524 -0.562 -5.009 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.267 -0.765 -2.057 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.603 0.823 -3.912 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.856 -0.341 -3.531 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.273 1.016 -1.310 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.660 1.810 -2.032 1.00 0.00 H new ATOM 964 N VAL A 68 -8.371 -2.902 -1.566 1.00 0.00 N ATOM 965 CA VAL A 68 -9.003 -4.228 -1.282 1.00 0.00 C ATOM 966 C VAL A 68 -9.532 -4.267 0.156 1.00 0.00 C ATOM 967 O VAL A 68 -9.085 -5.053 0.971 1.00 0.00 O ATOM 968 CB VAL A 68 -7.887 -5.261 -1.482 1.00 0.00 C ATOM 969 CG1 VAL A 68 -7.413 -5.222 -2.936 1.00 0.00 C ATOM 970 CG2 VAL A 68 -6.705 -4.946 -0.555 1.00 0.00 C ATOM 0 H VAL A 68 -7.833 -2.506 -0.795 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.853 -4.426 -1.935 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.273 -6.252 -1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -6.620 -5.956 -3.080 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.248 -5.456 -3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.033 -4.227 -3.168 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.918 -5.685 -0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.318 -3.953 -0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.038 -4.976 0.482 1.00 0.00 H new