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 Set 1.1: A 19 ASN : amide:sc= -0.614 K(o=-0.44,f=-6.2!) USER MOD Set 1.2: A 20 LYS NZ :NH3+ 163:sc= 0.174 (180deg=-0.392) USER MOD Single : A 17 ASN : amide:sc= -0.285 K(o=-0.29,f=-3!) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.00014) USER MOD Single : A 30 THR OG1 : rot 172:sc= 1.33 USER MOD Single : A 31 GLN : amide:sc= -0.249 K(o=-0.25,f=-1.2) USER MOD Single : A 36 GLN : amide:sc= -0.689 K(o=-0.69,f=-2.3) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.24) USER MOD Single : A 52 SER OG : rot 41:sc= 0.0778 USER MOD Single : A 58 TYR OH : rot 15:sc= 0.0368 USER MOD Single : A 60 GLN : amide:sc= -0.993 K(o=-0.99,f=-4.5!) USER MOD Single : A 61 CYS SG : rot -104:sc= 0.257 USER MOD Single : A 65 LYS NZ :NH3+ -142:sc= 1.11 (180deg=-0.121) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.285 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 128:sc= -2.03 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N PHE A 8 7.329 -3.320 0.918 1.00 0.00 N ATOM 69 CA PHE A 8 7.274 -2.191 1.840 1.00 0.00 C ATOM 70 C PHE A 8 6.586 -2.587 3.143 1.00 0.00 C ATOM 71 O PHE A 8 5.958 -3.643 3.230 1.00 0.00 O ATOM 72 CB PHE A 8 6.536 -1.016 1.197 1.00 0.00 C ATOM 73 CG PHE A 8 7.209 -0.489 -0.039 1.00 0.00 C ATOM 74 CD1 PHE A 8 7.009 -1.101 -1.266 1.00 0.00 C ATOM 75 CD2 PHE A 8 8.042 0.616 0.028 1.00 0.00 C ATOM 76 CE1 PHE A 8 7.627 -0.620 -2.404 1.00 0.00 C ATOM 77 CE2 PHE A 8 8.662 1.102 -1.108 1.00 0.00 C ATOM 78 CZ PHE A 8 8.454 0.483 -2.325 1.00 0.00 C ATOM 0 HA PHE A 8 8.296 -1.888 2.067 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.523 -1.328 0.944 1.00 0.00 H new ATOM 0 HB3 PHE A 8 6.449 -0.210 1.925 1.00 0.00 H new ATOM 0 HD1 PHE A 8 6.363 -1.964 -1.333 1.00 0.00 H new ATOM 0 HD2 PHE A 8 8.209 1.103 0.978 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.464 -1.106 -3.354 1.00 0.00 H new ATOM 0 HE2 PHE A 8 9.308 1.965 -1.044 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.937 0.861 -3.214 1.00 0.00 H new ATOM 88 N ARG A 9 6.706 -1.732 4.153 1.00 0.00 N ATOM 89 CA ARG A 9 6.095 -1.992 5.451 1.00 0.00 C ATOM 90 C ARG A 9 4.786 -1.225 5.598 1.00 0.00 C ATOM 91 O ARG A 9 4.491 -0.322 4.816 1.00 0.00 O ATOM 92 CB ARG A 9 7.056 -1.606 6.577 1.00 0.00 C ATOM 93 CG ARG A 9 6.837 -2.392 7.860 1.00 0.00 C ATOM 94 CD ARG A 9 8.080 -2.390 8.733 1.00 0.00 C ATOM 95 NE ARG A 9 8.643 -1.050 8.882 1.00 0.00 N ATOM 96 CZ ARG A 9 8.086 -0.089 9.614 1.00 0.00 C ATOM 97 NH1 ARG A 9 6.950 -0.315 10.264 1.00 0.00 N ATOM 98 NH2 ARG A 9 8.664 1.101 9.696 1.00 0.00 N ATOM 0 H ARG A 9 7.221 -0.853 4.098 1.00 0.00 H new ATOM 0 HA ARG A 9 5.880 -3.058 5.517 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.080 -1.759 6.237 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.946 -0.542 6.789 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.002 -1.962 8.413 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.564 -3.419 7.617 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.833 -2.791 9.716 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.829 -3.052 8.298 1.00 0.00 H new ATOM 0 HE ARG A 9 9.515 -0.839 8.396 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.501 -1.229 10.203 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.527 0.425 10.824 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.536 1.280 9.198 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.237 1.838 10.257 1.00 0.00 H new ATOM 112 N VAL A 10 4.003 -1.591 6.608 1.00 0.00 N ATOM 113 CA VAL A 10 2.724 -0.938 6.859 1.00 0.00 C ATOM 114 C VAL A 10 2.926 0.454 7.450 1.00 0.00 C ATOM 115 O VAL A 10 3.753 0.645 8.343 1.00 0.00 O ATOM 116 CB VAL A 10 1.845 -1.768 7.813 1.00 0.00 C ATOM 117 CG1 VAL A 10 0.459 -1.151 7.940 1.00 0.00 C ATOM 118 CG2 VAL A 10 1.752 -3.210 7.337 1.00 0.00 C ATOM 0 H VAL A 10 4.232 -2.336 7.266 1.00 0.00 H new ATOM 0 HA VAL A 10 2.218 -0.852 5.897 1.00 0.00 H new ATOM 0 HB VAL A 10 2.310 -1.764 8.799 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.146 -1.752 8.618 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.546 -0.138 8.333 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.017 -1.120 6.960 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.127 -3.780 8.024 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.313 -3.236 6.340 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.750 -3.648 7.306 1.00 0.00 H new ATOM 128 N GLY A 11 2.168 1.422 6.946 1.00 0.00 N ATOM 129 CA GLY A 11 2.280 2.783 7.437 1.00 0.00 C ATOM 130 C GLY A 11 3.205 3.633 6.588 1.00 0.00 C ATOM 131 O GLY A 11 3.074 4.857 6.551 1.00 0.00 O ATOM 0 H GLY A 11 1.478 1.288 6.206 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.291 3.240 7.460 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.647 2.766 8.463 1.00 0.00 H new ATOM 135 N GLU A 12 4.144 2.985 5.905 1.00 0.00 N ATOM 136 CA GLU A 12 5.095 3.691 5.054 1.00 0.00 C ATOM 137 C GLU A 12 4.404 4.258 3.818 1.00 0.00 C ATOM 138 O GLU A 12 3.572 3.593 3.200 1.00 0.00 O ATOM 139 CB GLU A 12 6.229 2.755 4.633 1.00 0.00 C ATOM 140 CG GLU A 12 7.062 2.244 5.798 1.00 0.00 C ATOM 141 CD GLU A 12 8.473 1.872 5.387 1.00 0.00 C ATOM 142 OE1 GLU A 12 8.624 1.063 4.449 1.00 0.00 O ATOM 143 OE2 GLU A 12 9.427 2.392 6.004 1.00 0.00 O ATOM 0 H GLU A 12 4.266 1.973 5.925 1.00 0.00 H new ATOM 0 HA GLU A 12 5.511 4.519 5.628 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.807 1.904 4.099 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.881 3.279 3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.103 3.009 6.573 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.573 1.373 6.235 1.00 0.00 H new ATOM 150 N ARG A 13 4.756 5.490 3.462 1.00 0.00 N ATOM 151 CA ARG A 13 4.171 6.145 2.298 1.00 0.00 C ATOM 152 C ARG A 13 4.827 5.653 1.012 1.00 0.00 C ATOM 153 O ARG A 13 5.996 5.938 0.752 1.00 0.00 O ATOM 154 CB ARG A 13 4.318 7.664 2.414 1.00 0.00 C ATOM 155 CG ARG A 13 3.730 8.427 1.237 1.00 0.00 C ATOM 156 CD ARG A 13 2.299 8.861 1.510 1.00 0.00 C ATOM 157 NE ARG A 13 2.110 10.292 1.290 1.00 0.00 N ATOM 158 CZ ARG A 13 0.924 10.862 1.080 1.00 0.00 C ATOM 159 NH1 ARG A 13 -0.180 10.126 1.064 1.00 0.00 N ATOM 160 NH2 ARG A 13 0.843 12.171 0.888 1.00 0.00 N ATOM 0 H ARG A 13 5.443 6.054 3.963 1.00 0.00 H new ATOM 0 HA ARG A 13 3.111 5.893 2.263 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.833 7.998 3.331 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.376 7.912 2.504 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.343 9.304 1.028 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.757 7.800 0.346 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.621 8.302 0.864 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.035 8.614 2.538 1.00 0.00 H new ATOM 0 HE ARG A 13 2.935 10.891 1.298 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.123 9.119 1.213 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.085 10.568 0.903 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.688 12.742 0.901 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.065 12.608 0.727 1.00 0.00 H new ATOM 174 N VAL A 14 4.066 4.914 0.211 1.00 0.00 N ATOM 175 CA VAL A 14 4.574 4.384 -1.048 1.00 0.00 C ATOM 176 C VAL A 14 4.052 5.188 -2.233 1.00 0.00 C ATOM 177 O VAL A 14 3.238 6.097 -2.069 1.00 0.00 O ATOM 178 CB VAL A 14 4.182 2.906 -1.233 1.00 0.00 C ATOM 179 CG1 VAL A 14 5.020 2.014 -0.331 1.00 0.00 C ATOM 180 CG2 VAL A 14 2.698 2.709 -0.960 1.00 0.00 C ATOM 0 H VAL A 14 3.096 4.669 0.412 1.00 0.00 H new ATOM 0 HA VAL A 14 5.660 4.463 -1.009 1.00 0.00 H new ATOM 0 HB VAL A 14 4.378 2.624 -2.267 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.729 0.974 -0.476 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.075 2.133 -0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.858 2.295 0.710 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.439 1.659 -1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.473 3.009 0.064 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.117 3.318 -1.652 1.00 0.00 H new ATOM 190 N TRP A 15 4.527 4.850 -3.427 1.00 0.00 N ATOM 191 CA TRP A 15 4.108 5.542 -4.640 1.00 0.00 C ATOM 192 C TRP A 15 3.695 4.548 -5.721 1.00 0.00 C ATOM 193 O TRP A 15 4.538 3.872 -6.312 1.00 0.00 O ATOM 194 CB TRP A 15 5.238 6.438 -5.155 1.00 0.00 C ATOM 195 CG TRP A 15 4.917 7.900 -5.081 1.00 0.00 C ATOM 196 CD1 TRP A 15 4.541 8.710 -6.114 1.00 0.00 C ATOM 197 CD2 TRP A 15 4.946 8.726 -3.911 1.00 0.00 C ATOM 198 NE1 TRP A 15 4.333 9.989 -5.658 1.00 0.00 N ATOM 199 CE2 TRP A 15 4.576 10.025 -4.309 1.00 0.00 C ATOM 200 CE3 TRP A 15 5.248 8.493 -2.567 1.00 0.00 C ATOM 201 CZ2 TRP A 15 4.500 11.085 -3.410 1.00 0.00 C ATOM 202 CZ3 TRP A 15 5.173 9.547 -1.675 1.00 0.00 C ATOM 203 CH2 TRP A 15 4.801 10.829 -2.100 1.00 0.00 C ATOM 0 H TRP A 15 5.202 4.101 -3.581 1.00 0.00 H new ATOM 0 HA TRP A 15 3.245 6.161 -4.396 1.00 0.00 H new ATOM 0 HB2 TRP A 15 6.140 6.242 -4.576 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.459 6.174 -6.189 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.424 8.392 -7.139 1.00 0.00 H new ATOM 0 HE1 TRP A 15 4.045 10.783 -6.230 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.535 7.508 -2.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 4.214 12.074 -3.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.405 9.379 -0.634 1.00 0.00 H new ATOM 0 HH2 TRP A 15 4.751 11.632 -1.379 1.00 0.00 H new ATOM 214 N VAL A 16 2.393 4.465 -5.977 1.00 0.00 N ATOM 215 CA VAL A 16 1.870 3.556 -6.988 1.00 0.00 C ATOM 216 C VAL A 16 2.150 4.080 -8.392 1.00 0.00 C ATOM 217 O VAL A 16 1.848 5.231 -8.707 1.00 0.00 O ATOM 218 CB VAL A 16 0.354 3.343 -6.824 1.00 0.00 C ATOM 219 CG1 VAL A 16 -0.132 2.230 -7.739 1.00 0.00 C ATOM 220 CG2 VAL A 16 0.009 3.040 -5.374 1.00 0.00 C ATOM 0 H VAL A 16 1.682 5.017 -5.498 1.00 0.00 H new ATOM 0 HA VAL A 16 2.378 2.602 -6.850 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.155 4.264 -7.109 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.206 2.095 -7.609 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.077 2.494 -8.776 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.384 1.303 -7.490 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.067 2.893 -5.279 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.528 2.135 -5.058 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.318 3.875 -4.744 1.00 0.00 H new ATOM 230 N ASN A 17 2.730 3.230 -9.232 1.00 0.00 N ATOM 231 CA ASN A 17 3.054 3.610 -10.603 1.00 0.00 C ATOM 232 C ASN A 17 3.974 4.829 -10.631 1.00 0.00 C ATOM 233 O ASN A 17 4.036 5.547 -11.630 1.00 0.00 O ATOM 234 CB ASN A 17 1.773 3.902 -11.387 1.00 0.00 C ATOM 235 CG ASN A 17 1.400 2.771 -12.327 1.00 0.00 C ATOM 236 OD1 ASN A 17 2.162 1.823 -12.510 1.00 0.00 O ATOM 237 ND2 ASN A 17 0.220 2.867 -12.929 1.00 0.00 N ATOM 0 H ASN A 17 2.986 2.273 -8.988 1.00 0.00 H new ATOM 0 HA ASN A 17 3.577 2.776 -11.071 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.954 4.075 -10.689 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.902 4.820 -11.961 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -0.085 2.137 -13.572 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.381 3.671 -12.748 1.00 0.00 H new ATOM 244 N GLY A 18 4.688 5.057 -9.532 1.00 0.00 N ATOM 245 CA GLY A 18 5.595 6.188 -9.454 1.00 0.00 C ATOM 246 C GLY A 18 4.906 7.511 -9.729 1.00 0.00 C ATOM 247 O GLY A 18 5.524 8.445 -10.240 1.00 0.00 O ATOM 0 H GLY A 18 4.654 4.478 -8.693 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.048 6.218 -8.463 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.405 6.049 -10.170 1.00 0.00 H new ATOM 251 N ASN A 19 3.623 7.592 -9.391 1.00 0.00 N ATOM 252 CA ASN A 19 2.854 8.814 -9.607 1.00 0.00 C ATOM 253 C ASN A 19 1.508 8.747 -8.892 1.00 0.00 C ATOM 254 O ASN A 19 0.514 9.296 -9.369 1.00 0.00 O ATOM 255 CB ASN A 19 2.638 9.047 -11.103 1.00 0.00 C ATOM 256 CG ASN A 19 1.985 7.860 -11.784 1.00 0.00 C ATOM 257 OD1 ASN A 19 1.050 7.261 -11.252 1.00 0.00 O ATOM 258 ND2 ASN A 19 2.475 7.514 -12.968 1.00 0.00 N ATOM 0 H ASN A 19 3.095 6.829 -8.968 1.00 0.00 H new ATOM 0 HA ASN A 19 3.422 9.647 -9.194 1.00 0.00 H new ATOM 0 HB2 ASN A 19 2.016 9.931 -11.244 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.597 9.253 -11.578 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.076 6.724 -13.474 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.251 8.039 -13.372 1.00 0.00 H new ATOM 265 N LYS A 20 1.481 8.071 -7.748 1.00 0.00 N ATOM 266 CA LYS A 20 0.255 7.935 -6.970 1.00 0.00 C ATOM 267 C LYS A 20 0.566 7.524 -5.532 1.00 0.00 C ATOM 268 O LYS A 20 0.622 6.335 -5.216 1.00 0.00 O ATOM 269 CB LYS A 20 -0.673 6.906 -7.617 1.00 0.00 C ATOM 270 CG LYS A 20 -1.431 7.442 -8.821 1.00 0.00 C ATOM 271 CD LYS A 20 -2.617 6.557 -9.173 1.00 0.00 C ATOM 272 CE LYS A 20 -2.785 6.424 -10.677 1.00 0.00 C ATOM 273 NZ LYS A 20 -1.639 5.707 -11.304 1.00 0.00 N ATOM 0 H LYS A 20 2.294 7.609 -7.339 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.244 8.904 -6.953 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.085 6.041 -7.924 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.389 6.557 -6.873 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.780 8.453 -8.612 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.758 7.507 -9.676 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.479 5.570 -8.732 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.526 6.975 -8.740 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.710 5.889 -10.893 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.879 7.415 -11.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.910 5.384 -12.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.825 6.350 -11.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.381 4.886 -10.719 1.00 0.00 H new ATOM 287 N PRO A 21 0.772 8.507 -4.638 1.00 0.00 N ATOM 288 CA PRO A 21 1.080 8.239 -3.229 1.00 0.00 C ATOM 289 C PRO A 21 -0.108 7.646 -2.479 1.00 0.00 C ATOM 290 O PRO A 21 -1.226 7.610 -2.995 1.00 0.00 O ATOM 291 CB PRO A 21 1.426 9.621 -2.669 1.00 0.00 C ATOM 292 CG PRO A 21 0.723 10.581 -3.564 1.00 0.00 C ATOM 293 CD PRO A 21 0.726 9.952 -4.929 1.00 0.00 C ATOM 0 HA PRO A 21 1.881 7.508 -3.121 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.091 9.725 -1.637 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.503 9.792 -2.674 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.295 10.762 -3.220 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.231 11.545 -3.578 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.165 10.220 -5.497 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.587 10.271 -5.517 1.00 0.00 H new ATOM 301 N GLY A 22 0.141 7.180 -1.260 1.00 0.00 N ATOM 302 CA GLY A 22 -0.918 6.594 -0.458 1.00 0.00 C ATOM 303 C GLY A 22 -0.386 5.865 0.760 1.00 0.00 C ATOM 304 O GLY A 22 0.745 5.376 0.755 1.00 0.00 O ATOM 0 H GLY A 22 1.057 7.197 -0.812 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.604 7.379 -0.138 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.492 5.900 -1.071 1.00 0.00 H new ATOM 308 N PHE A 23 -1.201 5.792 1.806 1.00 0.00 N ATOM 309 CA PHE A 23 -0.806 5.117 3.038 1.00 0.00 C ATOM 310 C PHE A 23 -1.159 3.635 2.984 1.00 0.00 C ATOM 311 O PHE A 23 -2.219 3.257 2.484 1.00 0.00 O ATOM 312 CB PHE A 23 -1.484 5.772 4.242 1.00 0.00 C ATOM 313 CG PHE A 23 -0.926 7.124 4.585 1.00 0.00 C ATOM 314 CD1 PHE A 23 -1.211 8.226 3.795 1.00 0.00 C ATOM 315 CD2 PHE A 23 -0.116 7.292 5.697 1.00 0.00 C ATOM 316 CE1 PHE A 23 -0.699 9.471 4.108 1.00 0.00 C ATOM 317 CE2 PHE A 23 0.400 8.534 6.015 1.00 0.00 C ATOM 318 CZ PHE A 23 0.108 9.626 5.219 1.00 0.00 C ATOM 0 H PHE A 23 -2.139 6.192 1.826 1.00 0.00 H new ATOM 0 HA PHE A 23 0.275 5.210 3.144 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.551 5.869 4.039 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.382 5.116 5.107 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.840 8.111 2.925 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.115 6.442 6.322 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.929 10.322 3.485 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.030 8.651 6.884 1.00 0.00 H new ATOM 0 HZ PHE A 23 0.510 10.598 5.465 1.00 0.00 H new ATOM 328 N ILE A 24 -0.263 2.799 3.500 1.00 0.00 N ATOM 329 CA ILE A 24 -0.480 1.357 3.510 1.00 0.00 C ATOM 330 C ILE A 24 -1.195 0.918 4.783 1.00 0.00 C ATOM 331 O ILE A 24 -0.770 1.247 5.891 1.00 0.00 O ATOM 332 CB ILE A 24 0.851 0.590 3.391 1.00 0.00 C ATOM 333 CG1 ILE A 24 1.680 1.141 2.229 1.00 0.00 C ATOM 334 CG2 ILE A 24 0.591 -0.897 3.205 1.00 0.00 C ATOM 335 CD1 ILE A 24 3.103 0.624 2.204 1.00 0.00 C ATOM 0 H ILE A 24 0.620 3.096 3.916 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.104 1.124 2.648 1.00 0.00 H new ATOM 0 HB ILE A 24 1.416 0.727 4.313 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.191 0.882 1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.698 2.229 2.290 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.541 -1.425 3.123 1.00 0.00 H new ATOM 0 HG22 ILE A 24 0.037 -1.279 4.062 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.009 -1.054 2.297 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.632 1.056 1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.609 0.906 3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.094 -0.462 2.112 1.00 0.00 H new ATOM 347 N GLN A 25 -2.283 0.172 4.618 1.00 0.00 N ATOM 348 CA GLN A 25 -3.058 -0.313 5.754 1.00 0.00 C ATOM 349 C GLN A 25 -3.064 -1.838 5.798 1.00 0.00 C ATOM 350 O GLN A 25 -2.944 -2.438 6.866 1.00 0.00 O ATOM 351 CB GLN A 25 -4.494 0.211 5.680 1.00 0.00 C ATOM 352 CG GLN A 25 -4.584 1.703 5.404 1.00 0.00 C ATOM 353 CD GLN A 25 -4.394 2.539 6.653 1.00 0.00 C ATOM 354 OE1 GLN A 25 -5.222 2.512 7.564 1.00 0.00 O ATOM 355 NE2 GLN A 25 -3.300 3.290 6.702 1.00 0.00 N ATOM 0 H GLN A 25 -2.648 -0.110 3.708 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.589 0.058 6.666 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.029 -0.328 4.898 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.000 -0.007 6.620 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.829 1.979 4.668 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.555 1.929 4.964 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.640 3.282 5.924 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.119 3.875 7.518 1.00 0.00 H new ATOM 364 N PHE A 26 -3.208 -2.457 4.632 1.00 0.00 N ATOM 365 CA PHE A 26 -3.232 -3.913 4.536 1.00 0.00 C ATOM 366 C PHE A 26 -2.129 -4.416 3.610 1.00 0.00 C ATOM 367 O PHE A 26 -1.943 -3.895 2.511 1.00 0.00 O ATOM 368 CB PHE A 26 -4.594 -4.389 4.031 1.00 0.00 C ATOM 369 CG PHE A 26 -4.775 -5.879 4.101 1.00 0.00 C ATOM 370 CD1 PHE A 26 -4.791 -6.530 5.324 1.00 0.00 C ATOM 371 CD2 PHE A 26 -4.929 -6.627 2.945 1.00 0.00 C ATOM 372 CE1 PHE A 26 -4.957 -7.900 5.393 1.00 0.00 C ATOM 373 CE2 PHE A 26 -5.095 -7.997 3.008 1.00 0.00 C ATOM 374 CZ PHE A 26 -5.109 -8.635 4.233 1.00 0.00 C ATOM 0 H PHE A 26 -3.310 -1.974 3.739 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.059 -4.320 5.532 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.377 -3.908 4.617 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.723 -4.064 2.999 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.672 -5.960 6.234 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.919 -6.134 1.984 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.968 -8.396 6.352 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.214 -8.569 2.100 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.238 -9.706 4.284 1.00 0.00 H new ATOM 384 N LEU A 27 -1.401 -5.431 4.063 1.00 0.00 N ATOM 385 CA LEU A 27 -0.317 -6.005 3.275 1.00 0.00 C ATOM 386 C LEU A 27 -0.420 -7.526 3.233 1.00 0.00 C ATOM 387 O LEU A 27 -0.026 -8.212 4.176 1.00 0.00 O ATOM 388 CB LEU A 27 1.038 -5.591 3.852 1.00 0.00 C ATOM 389 CG LEU A 27 1.555 -4.232 3.379 1.00 0.00 C ATOM 390 CD1 LEU A 27 2.861 -3.885 4.076 1.00 0.00 C ATOM 391 CD2 LEU A 27 1.738 -4.229 1.869 1.00 0.00 C ATOM 0 H LEU A 27 -1.542 -5.873 4.971 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.402 -5.624 2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.963 -5.576 4.939 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.774 -6.353 3.594 1.00 0.00 H new ATOM 0 HG LEU A 27 0.816 -3.473 3.638 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.213 -2.915 3.726 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.699 -3.846 5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.608 -4.646 3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.106 -3.254 1.549 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.457 -4.999 1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.782 -4.432 1.386 1.00 0.00 H new ATOM 403 N GLY A 28 -0.955 -8.048 2.133 1.00 0.00 N ATOM 404 CA GLY A 28 -1.101 -9.485 1.990 1.00 0.00 C ATOM 405 C GLY A 28 -2.035 -9.861 0.857 1.00 0.00 C ATOM 406 O GLY A 28 -2.442 -9.008 0.069 1.00 0.00 O ATOM 0 H GLY A 28 -1.290 -7.502 1.339 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.122 -9.931 1.814 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.479 -9.904 2.923 1.00 0.00 H new ATOM 410 N GLU A 29 -2.376 -11.143 0.776 1.00 0.00 N ATOM 411 CA GLU A 29 -3.269 -11.632 -0.268 1.00 0.00 C ATOM 412 C GLU A 29 -4.721 -11.298 0.058 1.00 0.00 C ATOM 413 O GLU A 29 -5.052 -10.973 1.197 1.00 0.00 O ATOM 414 CB GLU A 29 -3.107 -13.143 -0.440 1.00 0.00 C ATOM 415 CG GLU A 29 -3.180 -13.915 0.868 1.00 0.00 C ATOM 416 CD GLU A 29 -4.258 -14.981 0.858 1.00 0.00 C ATOM 417 OE1 GLU A 29 -4.608 -15.463 -0.240 1.00 0.00 O ATOM 418 OE2 GLU A 29 -4.752 -15.337 1.949 1.00 0.00 O ATOM 0 H GLU A 29 -2.047 -11.862 1.421 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.002 -11.137 -1.201 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.883 -13.509 -1.112 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.149 -13.345 -0.919 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.215 -14.382 1.064 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.370 -13.220 1.686 1.00 0.00 H new ATOM 425 N THR A 30 -5.583 -11.379 -0.951 1.00 0.00 N ATOM 426 CA THR A 30 -6.999 -11.085 -0.772 1.00 0.00 C ATOM 427 C THR A 30 -7.848 -12.329 -1.015 1.00 0.00 C ATOM 428 O THR A 30 -7.322 -13.409 -1.284 1.00 0.00 O ATOM 429 CB THR A 30 -7.433 -9.965 -1.718 1.00 0.00 C ATOM 430 OG1 THR A 30 -7.018 -10.242 -3.044 1.00 0.00 O ATOM 431 CG2 THR A 30 -6.875 -8.610 -1.337 1.00 0.00 C ATOM 0 H THR A 30 -5.325 -11.646 -1.901 1.00 0.00 H new ATOM 0 HA THR A 30 -7.149 -10.760 0.257 1.00 0.00 H new ATOM 0 HB THR A 30 -8.520 -9.927 -1.643 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.417 -9.588 -3.655 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.221 -7.861 -2.049 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.216 -8.345 -0.336 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.786 -8.648 -1.351 1.00 0.00 H new ATOM 439 N GLN A 31 -9.164 -12.169 -0.921 1.00 0.00 N ATOM 440 CA GLN A 31 -10.085 -13.279 -1.131 1.00 0.00 C ATOM 441 C GLN A 31 -10.629 -13.272 -2.557 1.00 0.00 C ATOM 442 O GLN A 31 -10.868 -14.326 -3.146 1.00 0.00 O ATOM 443 CB GLN A 31 -11.242 -13.206 -0.133 1.00 0.00 C ATOM 444 CG GLN A 31 -10.880 -13.709 1.255 1.00 0.00 C ATOM 445 CD GLN A 31 -11.626 -12.976 2.353 1.00 0.00 C ATOM 446 OE1 GLN A 31 -12.786 -12.602 2.188 1.00 0.00 O ATOM 447 NE2 GLN A 31 -10.959 -12.769 3.483 1.00 0.00 N ATOM 0 H GLN A 31 -9.616 -11.282 -0.701 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.536 -14.208 -0.974 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.582 -12.173 -0.059 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.079 -13.791 -0.516 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.100 -14.775 1.320 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.807 -13.595 1.411 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.998 -13.097 3.575 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.408 -12.282 4.258 1.00 0.00 H new ATOM 456 N PHE A 32 -10.820 -12.077 -3.105 1.00 0.00 N ATOM 457 CA PHE A 32 -11.335 -11.933 -4.462 1.00 0.00 C ATOM 458 C PHE A 32 -10.313 -12.416 -5.486 1.00 0.00 C ATOM 459 O PHE A 32 -10.675 -12.926 -6.547 1.00 0.00 O ATOM 460 CB PHE A 32 -11.700 -10.473 -4.738 1.00 0.00 C ATOM 461 CG PHE A 32 -10.555 -9.521 -4.551 1.00 0.00 C ATOM 462 CD1 PHE A 32 -9.680 -9.255 -5.593 1.00 0.00 C ATOM 463 CD2 PHE A 32 -10.350 -8.892 -3.333 1.00 0.00 C ATOM 464 CE1 PHE A 32 -8.624 -8.379 -5.424 1.00 0.00 C ATOM 465 CE2 PHE A 32 -9.297 -8.016 -3.157 1.00 0.00 C ATOM 466 CZ PHE A 32 -8.433 -7.759 -4.205 1.00 0.00 C ATOM 0 H PHE A 32 -10.626 -11.195 -2.631 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.230 -12.548 -4.552 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -12.070 -10.387 -5.760 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.516 -10.180 -4.078 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.825 -9.738 -6.548 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.022 -9.089 -2.511 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.950 -8.180 -6.244 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.149 -7.533 -2.203 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.609 -7.074 -4.070 1.00 0.00 H new ATOM 476 N ALA A 33 -9.034 -12.252 -5.162 1.00 0.00 N ATOM 477 CA ALA A 33 -7.960 -12.673 -6.053 1.00 0.00 C ATOM 478 C ALA A 33 -6.751 -13.165 -5.262 1.00 0.00 C ATOM 479 O ALA A 33 -6.436 -12.629 -4.199 1.00 0.00 O ATOM 480 CB ALA A 33 -7.562 -11.530 -6.974 1.00 0.00 C ATOM 0 H ALA A 33 -8.717 -11.831 -4.289 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.326 -13.502 -6.658 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.759 -11.858 -7.634 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.422 -11.227 -7.571 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.219 -10.685 -6.377 1.00 0.00 H new ATOM 486 N PRO A 34 -6.053 -14.196 -5.772 1.00 0.00 N ATOM 487 CA PRO A 34 -4.874 -14.756 -5.105 1.00 0.00 C ATOM 488 C PRO A 34 -3.652 -13.854 -5.235 1.00 0.00 C ATOM 489 O PRO A 34 -3.730 -12.763 -5.798 1.00 0.00 O ATOM 490 CB PRO A 34 -4.648 -16.074 -5.844 1.00 0.00 C ATOM 491 CG PRO A 34 -5.196 -15.837 -7.208 1.00 0.00 C ATOM 492 CD PRO A 34 -6.359 -14.897 -7.034 1.00 0.00 C ATOM 0 HA PRO A 34 -5.026 -14.872 -4.032 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.590 -16.332 -5.881 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.160 -16.899 -5.349 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.439 -15.404 -7.862 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.516 -16.772 -7.667 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.441 -14.201 -7.869 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.305 -15.436 -6.974 1.00 0.00 H new ATOM 500 N GLY A 35 -2.522 -14.319 -4.711 1.00 0.00 N ATOM 501 CA GLY A 35 -1.298 -13.542 -4.780 1.00 0.00 C ATOM 502 C GLY A 35 -1.211 -12.493 -3.690 1.00 0.00 C ATOM 503 O GLY A 35 -2.195 -12.220 -3.001 1.00 0.00 O ATOM 0 H GLY A 35 -2.432 -15.219 -4.240 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.442 -14.212 -4.703 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.235 -13.055 -5.753 1.00 0.00 H new ATOM 507 N GLN A 36 -0.032 -11.903 -3.533 1.00 0.00 N ATOM 508 CA GLN A 36 0.182 -10.877 -2.518 1.00 0.00 C ATOM 509 C GLN A 36 -0.210 -9.501 -3.044 1.00 0.00 C ATOM 510 O GLN A 36 0.274 -9.063 -4.087 1.00 0.00 O ATOM 511 CB GLN A 36 1.646 -10.867 -2.073 1.00 0.00 C ATOM 512 CG GLN A 36 1.969 -11.915 -1.020 1.00 0.00 C ATOM 513 CD GLN A 36 1.726 -13.329 -1.510 1.00 0.00 C ATOM 514 OE1 GLN A 36 1.919 -13.631 -2.689 1.00 0.00 O ATOM 515 NE2 GLN A 36 1.300 -14.204 -0.606 1.00 0.00 N ATOM 0 H GLN A 36 0.791 -12.117 -4.096 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.450 -11.112 -1.661 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.283 -11.030 -2.943 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.891 -9.881 -1.679 1.00 0.00 H new ATOM 0 HG2 GLN A 36 3.012 -11.813 -0.719 1.00 0.00 H new ATOM 0 HG3 GLN A 36 1.362 -11.733 -0.133 1.00 0.00 H new ATOM 0 HE21 GLN A 36 1.154 -13.909 0.360 1.00 0.00 H new ATOM 0 HE22 GLN A 36 1.119 -15.170 -0.877 1.00 0.00 H new ATOM 524 N TRP A 37 -1.091 -8.824 -2.314 1.00 0.00 N ATOM 525 CA TRP A 37 -1.548 -7.495 -2.705 1.00 0.00 C ATOM 526 C TRP A 37 -1.147 -6.454 -1.665 1.00 0.00 C ATOM 527 O TRP A 37 -0.728 -6.796 -0.559 1.00 0.00 O ATOM 528 CB TRP A 37 -3.068 -7.490 -2.888 1.00 0.00 C ATOM 529 CG TRP A 37 -3.539 -8.418 -3.965 1.00 0.00 C ATOM 530 CD1 TRP A 37 -3.805 -9.751 -3.841 1.00 0.00 C ATOM 531 CD2 TRP A 37 -3.800 -8.082 -5.333 1.00 0.00 C ATOM 532 NE1 TRP A 37 -4.216 -10.265 -5.048 1.00 0.00 N ATOM 533 CE2 TRP A 37 -4.221 -9.261 -5.979 1.00 0.00 C ATOM 534 CE3 TRP A 37 -3.720 -6.899 -6.075 1.00 0.00 C ATOM 535 CZ2 TRP A 37 -4.560 -9.289 -7.330 1.00 0.00 C ATOM 536 CZ3 TRP A 37 -4.056 -6.930 -7.415 1.00 0.00 C ATOM 537 CH2 TRP A 37 -4.472 -8.118 -8.030 1.00 0.00 C ATOM 0 H TRP A 37 -1.503 -9.174 -1.449 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.073 -7.238 -3.652 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.541 -7.768 -1.946 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.395 -6.477 -3.122 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -3.707 -10.319 -2.928 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -4.475 -11.236 -5.222 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.401 -5.978 -5.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.881 -10.203 -7.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.997 -6.023 -7.998 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.729 -8.109 -9.079 1.00 0.00 H new ATOM 548 N ALA A 38 -1.279 -5.182 -2.026 1.00 0.00 N ATOM 549 CA ALA A 38 -0.930 -4.091 -1.124 1.00 0.00 C ATOM 550 C ALA A 38 -2.037 -3.044 -1.075 1.00 0.00 C ATOM 551 O ALA A 38 -2.177 -2.232 -1.991 1.00 0.00 O ATOM 552 CB ALA A 38 0.384 -3.454 -1.549 1.00 0.00 C ATOM 0 H ALA A 38 -1.625 -4.881 -2.937 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.813 -4.504 -0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.632 -2.641 -0.866 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.176 -4.203 -1.524 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.287 -3.061 -2.561 1.00 0.00 H new ATOM 558 N GLY A 39 -2.821 -3.068 -0.003 1.00 0.00 N ATOM 559 CA GLY A 39 -3.906 -2.116 0.145 1.00 0.00 C ATOM 560 C GLY A 39 -3.416 -0.733 0.523 1.00 0.00 C ATOM 561 O GLY A 39 -3.043 -0.491 1.672 1.00 0.00 O ATOM 0 H GLY A 39 -2.724 -3.730 0.767 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.464 -2.058 -0.790 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.598 -2.474 0.907 1.00 0.00 H new ATOM 565 N ILE A 40 -3.416 0.179 -0.444 1.00 0.00 N ATOM 566 CA ILE A 40 -2.969 1.546 -0.206 1.00 0.00 C ATOM 567 C ILE A 40 -4.149 2.513 -0.184 1.00 0.00 C ATOM 568 O ILE A 40 -5.141 2.313 -0.884 1.00 0.00 O ATOM 569 CB ILE A 40 -1.963 2.004 -1.282 1.00 0.00 C ATOM 570 CG1 ILE A 40 -0.842 0.974 -1.436 1.00 0.00 C ATOM 571 CG2 ILE A 40 -1.390 3.368 -0.926 1.00 0.00 C ATOM 572 CD1 ILE A 40 -0.428 0.744 -2.874 1.00 0.00 C ATOM 0 H ILE A 40 -3.721 -0.004 -1.400 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.477 1.554 0.767 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.487 2.088 -2.234 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.025 1.304 -0.865 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.167 0.028 -1.004 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.682 3.677 -1.695 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.198 4.097 -0.863 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.879 3.308 0.035 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.370 0.002 -2.909 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.283 0.384 -3.446 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.072 1.680 -3.304 1.00 0.00 H new ATOM 584 N VAL A 41 -4.032 3.561 0.624 1.00 0.00 N ATOM 585 CA VAL A 41 -5.089 4.559 0.739 1.00 0.00 C ATOM 586 C VAL A 41 -4.703 5.851 0.028 1.00 0.00 C ATOM 587 O VAL A 41 -3.926 6.650 0.550 1.00 0.00 O ATOM 588 CB VAL A 41 -5.409 4.872 2.212 1.00 0.00 C ATOM 589 CG1 VAL A 41 -6.636 5.768 2.318 1.00 0.00 C ATOM 590 CG2 VAL A 41 -5.608 3.586 2.999 1.00 0.00 C ATOM 0 H VAL A 41 -3.216 3.741 1.209 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.975 4.137 0.265 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.562 5.407 2.642 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.844 5.977 3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.449 6.704 1.792 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.493 5.265 1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.833 3.826 4.038 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.435 3.021 2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.698 2.988 2.954 1.00 0.00 H new ATOM 600 N LEU A 42 -5.252 6.051 -1.166 1.00 0.00 N ATOM 601 CA LEU A 42 -4.965 7.248 -1.949 1.00 0.00 C ATOM 602 C LEU A 42 -5.402 8.504 -1.204 1.00 0.00 C ATOM 603 O LEU A 42 -6.340 8.470 -0.406 1.00 0.00 O ATOM 604 CB LEU A 42 -5.667 7.175 -3.307 1.00 0.00 C ATOM 605 CG LEU A 42 -5.388 5.906 -4.114 1.00 0.00 C ATOM 606 CD1 LEU A 42 -6.281 5.849 -5.344 1.00 0.00 C ATOM 607 CD2 LEU A 42 -3.922 5.842 -4.513 1.00 0.00 C ATOM 0 H LEU A 42 -5.898 5.400 -1.612 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.888 7.299 -2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.742 7.257 -3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.366 8.038 -3.901 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.612 5.042 -3.488 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.069 4.940 -5.906 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.326 5.849 -5.035 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.089 6.718 -5.974 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.740 4.933 -5.087 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.672 6.711 -5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.301 5.836 -3.617 1.00 0.00 H new ATOM 619 N ASP A 43 -4.717 9.611 -1.468 1.00 0.00 N ATOM 620 CA ASP A 43 -5.035 10.880 -0.822 1.00 0.00 C ATOM 621 C ASP A 43 -6.181 11.584 -1.540 1.00 0.00 C ATOM 622 O ASP A 43 -6.976 12.292 -0.919 1.00 0.00 O ATOM 623 CB ASP A 43 -3.801 11.784 -0.791 1.00 0.00 C ATOM 624 CG ASP A 43 -3.179 11.868 0.589 1.00 0.00 C ATOM 625 OD1 ASP A 43 -3.203 10.851 1.313 1.00 0.00 O ATOM 626 OD2 ASP A 43 -2.669 12.951 0.946 1.00 0.00 O ATOM 0 H ASP A 43 -3.938 9.656 -2.125 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.347 10.671 0.201 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -3.061 11.408 -1.498 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.079 12.784 -1.123 1.00 0.00 H new ATOM 631 N GLU A 44 -6.263 11.385 -2.852 1.00 0.00 N ATOM 632 CA GLU A 44 -7.313 12.001 -3.655 1.00 0.00 C ATOM 633 C GLU A 44 -8.286 10.949 -4.180 1.00 0.00 C ATOM 634 O GLU A 44 -7.907 9.799 -4.408 1.00 0.00 O ATOM 635 CB GLU A 44 -6.701 12.774 -4.825 1.00 0.00 C ATOM 636 CG GLU A 44 -5.653 13.790 -4.401 1.00 0.00 C ATOM 637 CD GLU A 44 -4.999 14.480 -5.581 1.00 0.00 C ATOM 638 OE1 GLU A 44 -4.379 13.780 -6.410 1.00 0.00 O ATOM 639 OE2 GLU A 44 -5.107 15.720 -5.679 1.00 0.00 O ATOM 0 H GLU A 44 -5.615 10.802 -3.381 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.864 12.693 -3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.249 12.067 -5.520 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.496 13.288 -5.365 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.117 14.539 -3.759 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.888 13.291 -3.807 1.00 0.00 H new ATOM 646 N PRO A 45 -9.561 11.328 -4.378 1.00 0.00 N ATOM 647 CA PRO A 45 -10.589 10.411 -4.879 1.00 0.00 C ATOM 648 C PRO A 45 -10.372 10.040 -6.343 1.00 0.00 C ATOM 649 O PRO A 45 -11.159 10.412 -7.212 1.00 0.00 O ATOM 650 CB PRO A 45 -11.886 11.206 -4.713 1.00 0.00 C ATOM 651 CG PRO A 45 -11.463 12.633 -4.759 1.00 0.00 C ATOM 652 CD PRO A 45 -10.097 12.680 -4.131 1.00 0.00 C ATOM 0 HA PRO A 45 -10.585 9.462 -4.343 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -12.595 10.977 -5.509 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.378 10.969 -3.770 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.433 12.998 -5.785 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.165 13.266 -4.215 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.472 13.449 -4.585 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.152 12.902 -3.065 1.00 0.00 H new ATOM 660 N ILE A 46 -9.297 9.304 -6.607 1.00 0.00 N ATOM 661 CA ILE A 46 -8.975 8.883 -7.965 1.00 0.00 C ATOM 662 C ILE A 46 -8.748 7.376 -8.034 1.00 0.00 C ATOM 663 O ILE A 46 -7.968 6.894 -8.855 1.00 0.00 O ATOM 664 CB ILE A 46 -7.722 9.604 -8.496 1.00 0.00 C ATOM 665 CG1 ILE A 46 -6.525 9.341 -7.578 1.00 0.00 C ATOM 666 CG2 ILE A 46 -7.983 11.097 -8.622 1.00 0.00 C ATOM 667 CD1 ILE A 46 -5.275 8.924 -8.320 1.00 0.00 C ATOM 0 H ILE A 46 -8.635 8.987 -5.899 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.829 9.149 -8.588 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.488 9.211 -9.486 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.313 10.243 -7.003 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.790 8.562 -6.863 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -7.088 11.592 -8.998 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.809 11.265 -9.313 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -8.240 11.505 -7.644 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.468 8.755 -7.607 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.470 8.005 -8.873 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.985 9.711 -9.016 1.00 0.00 H new ATOM 679 N GLY A 47 -9.434 6.640 -7.167 1.00 0.00 N ATOM 680 CA GLY A 47 -9.294 5.196 -7.148 1.00 0.00 C ATOM 681 C GLY A 47 -10.503 4.487 -7.725 1.00 0.00 C ATOM 682 O GLY A 47 -11.336 5.106 -8.387 1.00 0.00 O ATOM 0 H GLY A 47 -10.084 7.017 -6.477 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.407 4.913 -7.714 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.137 4.863 -6.122 1.00 0.00 H new ATOM 686 N LYS A 48 -10.601 3.186 -7.473 1.00 0.00 N ATOM 687 CA LYS A 48 -11.718 2.393 -7.973 1.00 0.00 C ATOM 688 C LYS A 48 -12.586 1.891 -6.823 1.00 0.00 C ATOM 689 O LYS A 48 -13.814 1.941 -6.893 1.00 0.00 O ATOM 690 CB LYS A 48 -11.203 1.208 -8.792 1.00 0.00 C ATOM 691 CG LYS A 48 -10.821 1.575 -10.218 1.00 0.00 C ATOM 692 CD LYS A 48 -11.392 0.586 -11.222 1.00 0.00 C ATOM 693 CE LYS A 48 -11.451 1.181 -12.620 1.00 0.00 C ATOM 694 NZ LYS A 48 -12.730 0.856 -13.309 1.00 0.00 N ATOM 0 H LYS A 48 -9.921 2.659 -6.926 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.327 3.032 -8.613 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.335 0.780 -8.291 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.970 0.434 -8.818 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.184 2.577 -10.446 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.735 1.601 -10.309 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.779 -0.315 -11.235 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.393 0.287 -10.910 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.337 2.263 -12.559 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.615 0.805 -13.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.730 1.280 -14.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.828 -0.176 -13.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.527 1.237 -12.760 1.00 0.00 H new ATOM 708 N ASN A 49 -11.940 1.411 -5.766 1.00 0.00 N ATOM 709 CA ASN A 49 -12.654 0.901 -4.601 1.00 0.00 C ATOM 710 C ASN A 49 -12.668 1.932 -3.477 1.00 0.00 C ATOM 711 O ASN A 49 -12.071 3.003 -3.597 1.00 0.00 O ATOM 712 CB ASN A 49 -12.011 -0.397 -4.111 1.00 0.00 C ATOM 713 CG ASN A 49 -12.149 -1.526 -5.113 1.00 0.00 C ATOM 714 OD1 ASN A 49 -13.251 -2.009 -5.373 1.00 0.00 O ATOM 715 ND2 ASN A 49 -11.028 -1.954 -5.681 1.00 0.00 N ATOM 0 H ASN A 49 -10.924 1.364 -5.692 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.684 0.699 -4.896 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.954 -0.222 -3.909 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.471 -0.694 -3.168 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.059 -2.712 -6.363 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.136 -1.525 -5.436 1.00 0.00 H new ATOM 722 N ASP A 50 -13.351 1.603 -2.386 1.00 0.00 N ATOM 723 CA ASP A 50 -13.441 2.501 -1.241 1.00 0.00 C ATOM 724 C ASP A 50 -13.258 1.737 0.065 1.00 0.00 C ATOM 725 O ASP A 50 -13.834 2.095 1.092 1.00 0.00 O ATOM 726 CB ASP A 50 -14.790 3.224 -1.238 1.00 0.00 C ATOM 727 CG ASP A 50 -15.961 2.261 -1.246 1.00 0.00 C ATOM 728 OD1 ASP A 50 -15.887 1.242 -1.964 1.00 0.00 O ATOM 729 OD2 ASP A 50 -16.954 2.527 -0.537 1.00 0.00 O ATOM 0 H ASP A 50 -13.850 0.721 -2.271 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.642 3.238 -1.325 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.855 3.863 -0.358 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.852 3.875 -2.110 1.00 0.00 H new ATOM 734 N GLY A 51 -12.451 0.682 0.019 1.00 0.00 N ATOM 735 CA GLY A 51 -12.206 -0.118 1.206 1.00 0.00 C ATOM 736 C GLY A 51 -12.842 -1.491 1.122 1.00 0.00 C ATOM 737 O GLY A 51 -12.245 -2.485 1.533 1.00 0.00 O ATOM 0 H GLY A 51 -11.962 0.366 -0.819 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -11.131 -0.227 1.351 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -12.594 0.406 2.080 1.00 0.00 H new ATOM 741 N SER A 52 -14.058 -1.545 0.588 1.00 0.00 N ATOM 742 CA SER A 52 -14.777 -2.806 0.452 1.00 0.00 C ATOM 743 C SER A 52 -14.673 -3.341 -0.973 1.00 0.00 C ATOM 744 O SER A 52 -14.809 -2.590 -1.939 1.00 0.00 O ATOM 745 CB SER A 52 -16.247 -2.623 0.835 1.00 0.00 C ATOM 746 OG SER A 52 -17.026 -3.731 0.416 1.00 0.00 O ATOM 0 H SER A 52 -14.566 -0.730 0.243 1.00 0.00 H new ATOM 0 HA SER A 52 -14.321 -3.530 1.127 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.332 -2.502 1.915 1.00 0.00 H new ATOM 0 HB3 SER A 52 -16.633 -1.711 0.381 1.00 0.00 H new ATOM 0 HG SER A 52 -16.533 -4.561 0.586 1.00 0.00 H new ATOM 752 N VAL A 53 -14.431 -4.642 -1.095 1.00 0.00 N ATOM 753 CA VAL A 53 -14.309 -5.277 -2.402 1.00 0.00 C ATOM 754 C VAL A 53 -15.031 -6.618 -2.431 1.00 0.00 C ATOM 755 O VAL A 53 -14.716 -7.522 -1.656 1.00 0.00 O ATOM 756 CB VAL A 53 -12.833 -5.493 -2.785 1.00 0.00 C ATOM 757 CG1 VAL A 53 -12.719 -5.969 -4.225 1.00 0.00 C ATOM 758 CG2 VAL A 53 -12.032 -4.217 -2.573 1.00 0.00 C ATOM 0 H VAL A 53 -14.316 -5.277 -0.305 1.00 0.00 H new ATOM 0 HA VAL A 53 -14.770 -4.604 -3.125 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.419 -6.265 -2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.669 -6.116 -4.478 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.255 -6.911 -4.340 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -13.151 -5.222 -4.891 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.992 -4.390 -2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -12.444 -3.421 -3.193 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -12.085 -3.924 -1.524 1.00 0.00 H new ATOM 768 N ALA A 54 -16.001 -6.743 -3.330 1.00 0.00 N ATOM 769 CA ALA A 54 -16.769 -7.976 -3.461 1.00 0.00 C ATOM 770 C ALA A 54 -17.495 -8.311 -2.163 1.00 0.00 C ATOM 771 O ALA A 54 -17.737 -9.480 -1.861 1.00 0.00 O ATOM 772 CB ALA A 54 -15.857 -9.123 -3.869 1.00 0.00 C ATOM 0 H ALA A 54 -16.274 -6.005 -3.979 1.00 0.00 H new ATOM 0 HA ALA A 54 -17.519 -7.828 -4.238 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -16.443 -10.038 -3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -15.388 -8.892 -4.825 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.086 -9.262 -3.111 1.00 0.00 H new ATOM 778 N GLY A 55 -17.843 -7.280 -1.400 1.00 0.00 N ATOM 779 CA GLY A 55 -18.539 -7.489 -0.143 1.00 0.00 C ATOM 780 C GLY A 55 -17.600 -7.504 1.047 1.00 0.00 C ATOM 781 O GLY A 55 -17.984 -7.125 2.153 1.00 0.00 O ATOM 0 H GLY A 55 -17.656 -6.304 -1.629 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -19.280 -6.701 -0.007 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -19.082 -8.433 -0.185 1.00 0.00 H new ATOM 785 N VAL A 56 -16.366 -7.942 0.819 1.00 0.00 N ATOM 786 CA VAL A 56 -15.370 -8.005 1.882 1.00 0.00 C ATOM 787 C VAL A 56 -14.741 -6.638 2.127 1.00 0.00 C ATOM 788 O VAL A 56 -14.756 -5.771 1.254 1.00 0.00 O ATOM 789 CB VAL A 56 -14.258 -9.017 1.550 1.00 0.00 C ATOM 790 CG1 VAL A 56 -13.342 -9.218 2.748 1.00 0.00 C ATOM 791 CG2 VAL A 56 -14.857 -10.341 1.100 1.00 0.00 C ATOM 0 H VAL A 56 -16.032 -8.258 -0.092 1.00 0.00 H new ATOM 0 HA VAL A 56 -15.889 -8.330 2.784 1.00 0.00 H new ATOM 0 HB VAL A 56 -13.662 -8.617 0.730 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.563 -9.936 2.494 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.884 -8.267 3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -13.922 -9.595 3.590 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.056 -11.043 0.870 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -15.479 -10.749 1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.466 -10.181 0.210 1.00 0.00 H new ATOM 801 N ARG A 57 -14.188 -6.452 3.322 1.00 0.00 N ATOM 802 CA ARG A 57 -13.554 -5.192 3.683 1.00 0.00 C ATOM 803 C ARG A 57 -12.133 -5.424 4.187 1.00 0.00 C ATOM 804 O ARG A 57 -11.825 -6.478 4.742 1.00 0.00 O ATOM 805 CB ARG A 57 -14.376 -4.470 4.752 1.00 0.00 C ATOM 806 CG ARG A 57 -13.792 -3.130 5.168 1.00 0.00 C ATOM 807 CD ARG A 57 -14.561 -2.521 6.330 1.00 0.00 C ATOM 808 NE ARG A 57 -13.672 -2.074 7.400 1.00 0.00 N ATOM 809 CZ ARG A 57 -14.031 -1.216 8.352 1.00 0.00 C ATOM 810 NH1 ARG A 57 -15.258 -0.710 8.371 1.00 0.00 N ATOM 811 NH2 ARG A 57 -13.161 -0.862 9.288 1.00 0.00 N ATOM 0 H ARG A 57 -14.167 -7.160 4.056 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.507 -4.569 2.790 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.388 -4.315 4.377 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.456 -5.110 5.631 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -12.747 -3.260 5.450 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.810 -2.445 4.320 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -15.150 -1.677 5.972 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.263 -3.255 6.725 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.721 -2.441 7.418 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -15.931 -0.978 7.653 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -15.527 -0.053 9.103 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.217 -1.247 9.278 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -13.436 -0.204 10.018 1.00 0.00 H new ATOM 825 N TYR A 58 -11.271 -4.431 3.990 1.00 0.00 N ATOM 826 CA TYR A 58 -9.882 -4.527 4.424 1.00 0.00 C ATOM 827 C TYR A 58 -9.481 -3.302 5.238 1.00 0.00 C ATOM 828 O TYR A 58 -9.106 -3.415 6.405 1.00 0.00 O ATOM 829 CB TYR A 58 -8.958 -4.677 3.215 1.00 0.00 C ATOM 830 CG TYR A 58 -9.134 -5.983 2.473 1.00 0.00 C ATOM 831 CD1 TYR A 58 -10.204 -6.172 1.607 1.00 0.00 C ATOM 832 CD2 TYR A 58 -8.232 -7.026 2.639 1.00 0.00 C ATOM 833 CE1 TYR A 58 -10.369 -7.364 0.927 1.00 0.00 C ATOM 834 CE2 TYR A 58 -8.390 -8.221 1.963 1.00 0.00 C ATOM 835 CZ TYR A 58 -9.459 -8.384 1.108 1.00 0.00 C ATOM 836 OH TYR A 58 -9.620 -9.572 0.432 1.00 0.00 O ATOM 0 H TYR A 58 -11.510 -3.551 3.533 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.785 -5.409 5.058 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.138 -3.851 2.527 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.923 -4.595 3.547 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -10.918 -5.375 1.463 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -7.393 -6.901 3.308 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -11.206 -7.496 0.258 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -7.680 -9.023 2.104 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.266 -9.450 -0.295 1.00 0.00 H new ATOM 846 N PHE A 59 -9.560 -2.131 4.614 1.00 0.00 N ATOM 847 CA PHE A 59 -9.205 -0.883 5.281 1.00 0.00 C ATOM 848 C PHE A 59 -10.285 0.172 5.073 1.00 0.00 C ATOM 849 O PHE A 59 -10.668 0.469 3.941 1.00 0.00 O ATOM 850 CB PHE A 59 -7.863 -0.367 4.758 1.00 0.00 C ATOM 851 CG PHE A 59 -7.771 -0.343 3.259 1.00 0.00 C ATOM 852 CD1 PHE A 59 -8.306 0.711 2.535 1.00 0.00 C ATOM 853 CD2 PHE A 59 -7.150 -1.375 2.573 1.00 0.00 C ATOM 854 CE1 PHE A 59 -8.223 0.735 1.157 1.00 0.00 C ATOM 855 CE2 PHE A 59 -7.064 -1.356 1.195 1.00 0.00 C ATOM 856 CZ PHE A 59 -7.601 -0.300 0.485 1.00 0.00 C ATOM 0 H PHE A 59 -9.867 -2.020 3.648 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.120 -1.082 6.349 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.697 0.640 5.140 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.063 -0.994 5.153 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -8.793 1.523 3.055 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.728 -2.204 3.123 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -8.644 1.562 0.605 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.577 -2.166 0.673 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.535 -0.283 -0.593 1.00 0.00 H new ATOM 866 N GLN A 60 -10.773 0.738 6.173 1.00 0.00 N ATOM 867 CA GLN A 60 -11.810 1.761 6.110 1.00 0.00 C ATOM 868 C GLN A 60 -11.233 3.091 5.633 1.00 0.00 C ATOM 869 O GLN A 60 -10.642 3.838 6.412 1.00 0.00 O ATOM 870 CB GLN A 60 -12.464 1.939 7.481 1.00 0.00 C ATOM 871 CG GLN A 60 -13.765 2.724 7.437 1.00 0.00 C ATOM 872 CD GLN A 60 -14.864 1.987 6.696 1.00 0.00 C ATOM 873 OE1 GLN A 60 -14.641 0.910 6.144 1.00 0.00 O ATOM 874 NE2 GLN A 60 -16.058 2.568 6.680 1.00 0.00 N ATOM 0 H GLN A 60 -10.467 0.505 7.118 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.565 1.435 5.395 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -12.656 0.957 7.913 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -11.765 2.448 8.145 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -14.094 2.932 8.455 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -13.589 3.686 6.956 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -16.197 3.462 7.152 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -16.836 2.121 6.196 1.00 0.00 H new ATOM 883 N CYS A 61 -11.409 3.378 4.348 1.00 0.00 N ATOM 884 CA CYS A 61 -10.907 4.617 3.765 1.00 0.00 C ATOM 885 C CYS A 61 -12.047 5.440 3.174 1.00 0.00 C ATOM 886 O CYS A 61 -13.217 5.084 3.309 1.00 0.00 O ATOM 887 CB CYS A 61 -9.868 4.313 2.685 1.00 0.00 C ATOM 888 SG CYS A 61 -10.518 3.381 1.278 1.00 0.00 S ATOM 0 H CYS A 61 -11.896 2.769 3.690 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.436 5.198 4.558 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -9.450 5.252 2.323 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.048 3.751 3.132 1.00 0.00 H new ATOM 0 HG CYS A 61 -10.132 2.142 1.362 1.00 0.00 H new ATOM 894 N GLU A 62 -11.696 6.542 2.517 1.00 0.00 N ATOM 895 CA GLU A 62 -12.690 7.415 1.905 1.00 0.00 C ATOM 896 C GLU A 62 -13.020 6.954 0.488 1.00 0.00 C ATOM 897 O GLU A 62 -12.281 6.168 -0.106 1.00 0.00 O ATOM 898 CB GLU A 62 -12.185 8.859 1.879 1.00 0.00 C ATOM 899 CG GLU A 62 -12.471 9.627 3.159 1.00 0.00 C ATOM 900 CD GLU A 62 -12.704 11.105 2.911 1.00 0.00 C ATOM 901 OE1 GLU A 62 -13.857 11.484 2.618 1.00 0.00 O ATOM 902 OE2 GLU A 62 -11.732 11.884 3.010 1.00 0.00 O ATOM 0 H GLU A 62 -10.731 6.850 2.395 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.599 7.366 2.505 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.110 8.856 1.700 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.646 9.381 1.041 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.348 9.201 3.646 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.634 9.505 3.847 1.00 0.00 H new ATOM 909 N PRO A 63 -14.140 7.437 -0.075 1.00 0.00 N ATOM 910 CA PRO A 63 -14.567 7.069 -1.430 1.00 0.00 C ATOM 911 C PRO A 63 -13.494 7.356 -2.474 1.00 0.00 C ATOM 912 O PRO A 63 -12.908 8.439 -2.497 1.00 0.00 O ATOM 913 CB PRO A 63 -15.794 7.953 -1.674 1.00 0.00 C ATOM 914 CG PRO A 63 -16.297 8.292 -0.314 1.00 0.00 C ATOM 915 CD PRO A 63 -15.080 8.375 0.565 1.00 0.00 C ATOM 0 HA PRO A 63 -14.771 6.001 -1.513 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.530 8.851 -2.233 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -16.551 7.427 -2.256 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.839 9.238 -0.322 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.989 7.532 0.048 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.677 9.387 0.601 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.304 8.084 1.591 1.00 0.00 H new ATOM 923 N LEU A 64 -13.246 6.380 -3.341 1.00 0.00 N ATOM 924 CA LEU A 64 -12.249 6.528 -4.395 1.00 0.00 C ATOM 925 C LEU A 64 -10.862 6.786 -3.811 1.00 0.00 C ATOM 926 O LEU A 64 -10.006 7.380 -4.465 1.00 0.00 O ATOM 927 CB LEU A 64 -12.639 7.670 -5.334 1.00 0.00 C ATOM 928 CG LEU A 64 -14.112 7.692 -5.748 1.00 0.00 C ATOM 929 CD1 LEU A 64 -14.601 9.123 -5.908 1.00 0.00 C ATOM 930 CD2 LEU A 64 -14.314 6.911 -7.038 1.00 0.00 C ATOM 0 H LEU A 64 -13.722 5.478 -3.335 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.214 5.595 -4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.399 8.617 -4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.025 7.607 -6.233 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.698 7.216 -4.962 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.650 9.118 -6.203 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -14.492 9.653 -4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -14.011 9.625 -6.675 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -15.367 6.937 -7.318 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.716 7.359 -7.832 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -14.003 5.877 -6.890 1.00 0.00 H new ATOM 942 N LYS A 65 -10.645 6.335 -2.579 1.00 0.00 N ATOM 943 CA LYS A 65 -9.359 6.519 -1.915 1.00 0.00 C ATOM 944 C LYS A 65 -8.769 5.178 -1.491 1.00 0.00 C ATOM 945 O LYS A 65 -8.149 5.067 -0.433 1.00 0.00 O ATOM 946 CB LYS A 65 -9.513 7.431 -0.696 1.00 0.00 C ATOM 947 CG LYS A 65 -10.015 8.824 -1.038 1.00 0.00 C ATOM 948 CD LYS A 65 -9.298 9.891 -0.227 1.00 0.00 C ATOM 949 CE LYS A 65 -9.577 11.284 -0.767 1.00 0.00 C ATOM 950 NZ LYS A 65 -9.296 12.340 0.244 1.00 0.00 N ATOM 0 H LYS A 65 -11.341 5.841 -2.021 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.677 6.988 -2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.204 6.968 0.009 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.551 7.514 -0.191 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.868 9.014 -2.101 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.087 8.882 -0.849 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.616 9.833 0.814 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.225 9.702 -0.243 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.966 11.459 -1.653 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.619 11.350 -1.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.011 13.091 0.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.327 11.925 1.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.352 12.742 0.073 1.00 0.00 H new ATOM 964 N GLY A 66 -8.966 4.161 -2.324 1.00 0.00 N ATOM 965 CA GLY A 66 -8.448 2.841 -2.018 1.00 0.00 C ATOM 966 C GLY A 66 -8.330 1.966 -3.251 1.00 0.00 C ATOM 967 O GLY A 66 -9.300 1.784 -3.986 1.00 0.00 O ATOM 0 H GLY A 66 -9.475 4.228 -3.205 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.469 2.938 -1.549 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.102 2.356 -1.293 1.00 0.00 H new ATOM 971 N ILE A 67 -7.138 1.425 -3.477 1.00 0.00 N ATOM 972 CA ILE A 67 -6.895 0.565 -4.629 1.00 0.00 C ATOM 973 C ILE A 67 -5.960 -0.586 -4.267 1.00 0.00 C ATOM 974 O ILE A 67 -5.151 -0.475 -3.346 1.00 0.00 O ATOM 975 CB ILE A 67 -6.293 1.360 -5.805 1.00 0.00 C ATOM 976 CG1 ILE A 67 -6.128 0.458 -7.032 1.00 0.00 C ATOM 977 CG2 ILE A 67 -4.959 1.976 -5.407 1.00 0.00 C ATOM 978 CD1 ILE A 67 -5.646 1.195 -8.262 1.00 0.00 C ATOM 0 H ILE A 67 -6.325 1.567 -2.878 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.860 0.160 -4.934 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.978 2.168 -6.063 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.422 -0.338 -6.795 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.083 -0.018 -7.254 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.550 2.533 -6.250 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.107 2.651 -4.564 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.264 1.186 -5.122 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.552 0.495 -9.092 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.362 1.974 -8.524 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.676 1.648 -8.058 1.00 0.00 H new ATOM 990 N PHE A 68 -6.078 -1.689 -4.999 1.00 0.00 N ATOM 991 CA PHE A 68 -5.244 -2.860 -4.756 1.00 0.00 C ATOM 992 C PHE A 68 -4.351 -3.152 -5.957 1.00 0.00 C ATOM 993 O PHE A 68 -4.831 -3.545 -7.020 1.00 0.00 O ATOM 994 CB PHE A 68 -6.117 -4.079 -4.449 1.00 0.00 C ATOM 995 CG PHE A 68 -6.701 -4.068 -3.066 1.00 0.00 C ATOM 996 CD1 PHE A 68 -5.908 -4.344 -1.963 1.00 0.00 C ATOM 997 CD2 PHE A 68 -8.041 -3.779 -2.868 1.00 0.00 C ATOM 998 CE1 PHE A 68 -6.442 -4.336 -0.689 1.00 0.00 C ATOM 999 CE2 PHE A 68 -8.581 -3.768 -1.595 1.00 0.00 C ATOM 1000 CZ PHE A 68 -7.780 -4.047 -0.504 1.00 0.00 C ATOM 0 H PHE A 68 -6.743 -1.796 -5.765 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.609 -2.649 -3.896 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.928 -4.127 -5.176 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.521 -4.983 -4.575 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.861 -4.568 -2.101 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.671 -3.560 -3.717 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.814 -4.556 0.162 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -9.627 -3.542 -1.454 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.199 -4.039 0.491 1.00 0.00 H new ATOM 1010 N THR A 69 -3.047 -2.955 -5.781 1.00 0.00 N ATOM 1011 CA THR A 69 -2.087 -3.197 -6.849 1.00 0.00 C ATOM 1012 C THR A 69 -0.944 -4.083 -6.362 1.00 0.00 C ATOM 1013 O THR A 69 -0.903 -4.474 -5.195 1.00 0.00 O ATOM 1014 CB THR A 69 -1.531 -1.873 -7.376 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.571 -2.100 -8.391 1.00 0.00 O ATOM 1016 CG2 THR A 69 -0.876 -1.029 -6.304 1.00 0.00 C ATOM 0 H THR A 69 -2.633 -2.628 -4.908 1.00 0.00 H new ATOM 0 HA THR A 69 -2.605 -3.712 -7.658 1.00 0.00 H new ATOM 0 HB THR A 69 -2.394 -1.332 -7.764 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.229 -1.241 -8.716 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.504 -0.105 -6.746 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.606 -0.793 -5.530 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.046 -1.581 -5.863 1.00 0.00 H new ATOM 1024 N ARG A 70 -0.019 -4.397 -7.261 1.00 0.00 N ATOM 1025 CA ARG A 70 1.124 -5.237 -6.922 1.00 0.00 C ATOM 1026 C ARG A 70 2.196 -4.429 -6.190 1.00 0.00 C ATOM 1027 O ARG A 70 2.658 -3.404 -6.693 1.00 0.00 O ATOM 1028 CB ARG A 70 1.717 -5.861 -8.186 1.00 0.00 C ATOM 1029 CG ARG A 70 0.801 -6.877 -8.849 1.00 0.00 C ATOM 1030 CD ARG A 70 0.733 -8.169 -8.053 1.00 0.00 C ATOM 1031 NE ARG A 70 2.023 -8.852 -8.003 1.00 0.00 N ATOM 1032 CZ ARG A 70 2.171 -10.137 -7.688 1.00 0.00 C ATOM 1033 NH1 ARG A 70 1.112 -10.880 -7.392 1.00 0.00 N ATOM 1034 NH2 ARG A 70 3.380 -10.679 -7.666 1.00 0.00 N ATOM 0 H ARG A 70 -0.038 -4.082 -8.231 1.00 0.00 H new ATOM 0 HA ARG A 70 0.776 -6.031 -6.261 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.945 -5.069 -8.900 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.661 -6.345 -7.934 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.200 -6.456 -8.948 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.159 -7.088 -9.857 1.00 0.00 H new ATOM 0 HD2 ARG A 70 0.399 -7.952 -7.038 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.010 -8.830 -8.499 1.00 0.00 H new ATOM 0 HE ARG A 70 2.860 -8.312 -8.222 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.179 -10.467 -7.405 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.231 -11.864 -7.151 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.197 -10.112 -7.890 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.493 -11.664 -7.425 1.00 0.00 H new ATOM 1048 N PRO A 71 2.609 -4.877 -4.989 1.00 0.00 N ATOM 1049 CA PRO A 71 3.633 -4.181 -4.201 1.00 0.00 C ATOM 1050 C PRO A 71 4.925 -3.984 -4.984 1.00 0.00 C ATOM 1051 O PRO A 71 5.562 -2.933 -4.900 1.00 0.00 O ATOM 1052 CB PRO A 71 3.871 -5.114 -3.010 1.00 0.00 C ATOM 1053 CG PRO A 71 2.628 -5.927 -2.904 1.00 0.00 C ATOM 1054 CD PRO A 71 2.118 -6.088 -4.308 1.00 0.00 C ATOM 0 HA PRO A 71 3.312 -3.180 -3.914 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.744 -5.746 -3.172 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.052 -4.549 -2.096 1.00 0.00 H new ATOM 0 HG2 PRO A 71 2.833 -6.896 -2.450 1.00 0.00 H new ATOM 0 HG3 PRO A 71 1.889 -5.430 -2.275 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.503 -6.995 -4.774 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.030 -6.152 -4.336 1.00 0.00 H new ATOM 1062 N SER A 72 5.307 -5.002 -5.748 1.00 0.00 N ATOM 1063 CA SER A 72 6.525 -4.944 -6.548 1.00 0.00 C ATOM 1064 C SER A 72 6.499 -3.755 -7.506 1.00 0.00 C ATOM 1065 O SER A 72 7.545 -3.289 -7.957 1.00 0.00 O ATOM 1066 CB SER A 72 6.702 -6.244 -7.337 1.00 0.00 C ATOM 1067 OG SER A 72 7.749 -6.128 -8.284 1.00 0.00 O ATOM 0 H SER A 72 4.790 -5.878 -5.830 1.00 0.00 H new ATOM 0 HA SER A 72 7.368 -4.818 -5.868 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.918 -7.063 -6.651 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.772 -6.493 -7.848 1.00 0.00 H new ATOM 0 HG SER A 72 7.842 -6.972 -8.773 1.00 0.00 H new ATOM 1073 N LYS A 73 5.300 -3.269 -7.813 1.00 0.00 N ATOM 1074 CA LYS A 73 5.145 -2.135 -8.717 1.00 0.00 C ATOM 1075 C LYS A 73 4.990 -0.831 -7.940 1.00 0.00 C ATOM 1076 O LYS A 73 4.303 0.089 -8.383 1.00 0.00 O ATOM 1077 CB LYS A 73 3.932 -2.345 -9.627 1.00 0.00 C ATOM 1078 CG LYS A 73 3.920 -3.697 -10.321 1.00 0.00 C ATOM 1079 CD LYS A 73 5.057 -3.821 -11.321 1.00 0.00 C ATOM 1080 CE LYS A 73 5.171 -5.237 -11.862 1.00 0.00 C ATOM 1081 NZ LYS A 73 4.469 -5.393 -13.166 1.00 0.00 N ATOM 0 H LYS A 73 4.423 -3.642 -7.450 1.00 0.00 H new ATOM 0 HA LYS A 73 6.045 -2.066 -9.328 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.022 -2.241 -9.036 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.913 -1.558 -10.381 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.001 -4.490 -9.577 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.968 -3.836 -10.833 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.895 -3.127 -12.146 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.995 -3.536 -10.844 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.223 -5.495 -11.983 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.752 -5.937 -11.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.571 -6.373 -13.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.460 -5.171 -13.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.885 -4.744 -13.864 1.00 0.00 H new ATOM 1095 N LEU A 74 5.635 -0.757 -6.779 1.00 0.00 N ATOM 1096 CA LEU A 74 5.569 0.436 -5.943 1.00 0.00 C ATOM 1097 C LEU A 74 6.936 1.105 -5.840 1.00 0.00 C ATOM 1098 O LEU A 74 7.965 0.430 -5.792 1.00 0.00 O ATOM 1099 CB LEU A 74 5.056 0.079 -4.546 1.00 0.00 C ATOM 1100 CG LEU A 74 3.569 -0.270 -4.471 1.00 0.00 C ATOM 1101 CD1 LEU A 74 3.223 -0.842 -3.105 1.00 0.00 C ATOM 1102 CD2 LEU A 74 2.718 0.956 -4.768 1.00 0.00 C ATOM 0 H LEU A 74 6.209 -1.509 -6.397 1.00 0.00 H new ATOM 0 HA LEU A 74 4.876 1.137 -6.408 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.631 -0.767 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.250 0.919 -3.879 1.00 0.00 H new ATOM 0 HG LEU A 74 3.355 -1.028 -5.225 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.161 -1.084 -3.070 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.807 -1.745 -2.930 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.453 -0.107 -2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.663 0.689 -4.710 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.936 1.736 -4.038 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.945 1.323 -5.769 1.00 0.00 H new ATOM 1114 N THR A 75 6.939 2.433 -5.807 1.00 0.00 N ATOM 1115 CA THR A 75 8.180 3.194 -5.711 1.00 0.00 C ATOM 1116 C THR A 75 8.242 3.974 -4.403 1.00 0.00 C ATOM 1117 O THR A 75 7.316 3.921 -3.592 1.00 0.00 O ATOM 1118 CB THR A 75 8.308 4.153 -6.896 1.00 0.00 C ATOM 1119 OG1 THR A 75 7.192 5.023 -6.960 1.00 0.00 O ATOM 1120 CG2 THR A 75 8.415 3.445 -8.230 1.00 0.00 C ATOM 0 H THR A 75 6.096 3.005 -5.845 1.00 0.00 H new ATOM 0 HA THR A 75 9.011 2.488 -5.731 1.00 0.00 H new ATOM 0 HB THR A 75 9.231 4.706 -6.721 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.503 5.951 -7.010 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.503 4.183 -9.027 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.295 2.802 -8.231 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.524 2.839 -8.393 1.00 0.00 H new ATOM 1128 N ARG A 76 9.338 4.699 -4.202 1.00 0.00 N ATOM 1129 CA ARG A 76 9.521 5.490 -2.992 1.00 0.00 C ATOM 1130 C ARG A 76 9.599 6.979 -3.321 1.00 0.00 C ATOM 1131 O ARG A 76 10.681 7.519 -3.546 1.00 0.00 O ATOM 1132 CB ARG A 76 10.789 5.049 -2.257 1.00 0.00 C ATOM 1133 CG ARG A 76 10.573 4.785 -0.775 1.00 0.00 C ATOM 1134 CD ARG A 76 11.893 4.630 -0.036 1.00 0.00 C ATOM 1135 NE ARG A 76 11.946 3.390 0.735 1.00 0.00 N ATOM 1136 CZ ARG A 76 13.074 2.844 1.184 1.00 0.00 C ATOM 1137 NH1 ARG A 76 14.243 3.424 0.943 1.00 0.00 N ATOM 1138 NH2 ARG A 76 13.032 1.714 1.876 1.00 0.00 N ATOM 0 H ARG A 76 10.113 4.754 -4.863 1.00 0.00 H new ATOM 0 HA ARG A 76 8.659 5.325 -2.345 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.175 4.144 -2.726 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.552 5.818 -2.373 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.005 5.606 -0.338 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.976 3.882 -0.649 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.714 4.647 -0.753 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.036 5.479 0.632 1.00 0.00 H new ATOM 0 HE ARG A 76 11.067 2.915 0.941 1.00 0.00 H new ATOM 0 HH11 ARG A 76 14.281 4.293 0.411 1.00 0.00 H new ATOM 0 HH12 ARG A 76 15.104 3.000 1.290 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.136 1.264 2.064 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.896 1.295 2.221 1.00 0.00 H new ATOM 1152 N LYS A 77 8.442 7.634 -3.348 1.00 0.00 N ATOM 1153 CA LYS A 77 8.379 9.060 -3.650 1.00 0.00 C ATOM 1154 C LYS A 77 8.915 9.344 -5.049 1.00 0.00 C ATOM 1155 O LYS A 77 9.722 8.584 -5.583 1.00 0.00 O ATOM 1156 CB LYS A 77 9.173 9.860 -2.615 1.00 0.00 C ATOM 1157 CG LYS A 77 8.803 11.333 -2.572 1.00 0.00 C ATOM 1158 CD LYS A 77 8.930 11.899 -1.168 1.00 0.00 C ATOM 1159 CE LYS A 77 10.385 12.129 -0.788 1.00 0.00 C ATOM 1160 NZ LYS A 77 10.671 11.688 0.605 1.00 0.00 N ATOM 0 H LYS A 77 7.537 7.201 -3.165 1.00 0.00 H new ATOM 0 HA LYS A 77 7.334 9.367 -3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.011 9.424 -1.629 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.237 9.767 -2.834 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.449 11.891 -3.250 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.780 11.463 -2.926 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.383 12.840 -1.103 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.471 11.214 -0.456 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.031 11.588 -1.480 1.00 0.00 H new ATOM 0 HE3 LYS A 77 10.624 13.188 -0.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 11.672 11.862 0.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 10.073 12.222 1.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 10.467 10.672 0.696 1.00 0.00 H new