USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 22 MET CE :methyl -142:sc= -9.62! (180deg=-15.1!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0.661 K(o=0.66,f=-2.8!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -2.9! C(o=-3.9!,f=-2.9!) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -0.749 F(o=-2.9!,f=-0.75) USER MOD Single : A 46 HIS : no HE2:sc= -4.49! C(o=-4.5!,f=-7.9!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN :FLIP amide:sc= -11.2! C(o=-15!,f=-11!) USER MOD Single : A 60 LYS NZ :NH3+ -164:sc= 0.311 (180deg=0.22) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 82 ASN : amide:sc= -0.052 X(o=-0.052,f=-0.21) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 171:sc= -2.53! USER MOD ----------------------------------------------------------------- ATOM 25 N GLU A 19 2.132 12.258 1.248 1.00 0.00 N ATOM 26 CA GLU A 19 1.954 11.780 -0.147 1.00 0.00 C ATOM 27 C GLU A 19 0.609 11.066 -0.309 1.00 0.00 C ATOM 28 O GLU A 19 0.017 11.074 -1.370 1.00 0.00 O ATOM 29 CB GLU A 19 3.108 10.806 -0.383 1.00 0.00 C ATOM 30 CG GLU A 19 4.288 11.553 -1.006 1.00 0.00 C ATOM 31 CD GLU A 19 3.826 12.267 -2.278 1.00 0.00 C ATOM 32 OE1 GLU A 19 2.770 11.918 -2.778 1.00 0.00 O ATOM 33 OE2 GLU A 19 4.537 13.150 -2.730 1.00 0.00 O ATOM 0 HA GLU A 19 1.958 12.603 -0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.410 10.349 0.559 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.787 9.998 -1.041 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.690 12.276 -0.296 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.092 10.855 -1.240 1.00 0.00 H new ATOM 40 N PHE A 20 0.130 10.436 0.727 1.00 0.00 N ATOM 41 CA PHE A 20 -1.167 9.710 0.621 1.00 0.00 C ATOM 42 C PHE A 20 -2.176 10.259 1.642 1.00 0.00 C ATOM 43 O PHE A 20 -1.840 11.064 2.486 1.00 0.00 O ATOM 44 CB PHE A 20 -0.801 8.253 0.903 1.00 0.00 C ATOM 45 CG PHE A 20 0.206 7.803 -0.135 1.00 0.00 C ATOM 46 CD1 PHE A 20 1.584 7.976 0.087 1.00 0.00 C ATOM 47 CD2 PHE A 20 -0.239 7.229 -1.334 1.00 0.00 C ATOM 48 CE1 PHE A 20 2.505 7.572 -0.888 1.00 0.00 C ATOM 49 CE2 PHE A 20 0.684 6.829 -2.305 1.00 0.00 C ATOM 50 CZ PHE A 20 2.055 7.001 -2.083 1.00 0.00 C ATOM 0 H PHE A 20 0.579 10.392 1.642 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.646 9.825 -0.351 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.383 8.154 1.905 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.691 7.624 0.866 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.932 8.420 1.008 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.297 7.096 -1.508 1.00 0.00 H new ATOM 0 HE1 PHE A 20 3.563 7.701 -0.717 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.338 6.387 -3.228 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.766 6.693 -2.835 1.00 0.00 H new ATOM 60 N ARG A 21 -3.418 9.849 1.555 1.00 0.00 N ATOM 61 CA ARG A 21 -4.448 10.375 2.506 1.00 0.00 C ATOM 62 C ARG A 21 -4.493 9.552 3.796 1.00 0.00 C ATOM 63 O ARG A 21 -4.510 10.091 4.885 1.00 0.00 O ATOM 64 CB ARG A 21 -5.782 10.247 1.771 1.00 0.00 C ATOM 65 CG ARG A 21 -5.837 11.264 0.635 1.00 0.00 C ATOM 66 CD ARG A 21 -5.250 10.633 -0.623 1.00 0.00 C ATOM 67 NE ARG A 21 -6.092 11.146 -1.740 1.00 0.00 N ATOM 68 CZ ARG A 21 -6.217 12.431 -1.924 1.00 0.00 C ATOM 69 NH1 ARG A 21 -5.225 13.119 -2.419 1.00 0.00 N ATOM 70 NH2 ARG A 21 -7.336 13.029 -1.617 1.00 0.00 N ATOM 0 H ARG A 21 -3.762 9.176 0.870 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.222 11.402 2.794 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.896 9.238 1.376 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.608 10.414 2.463 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.867 11.574 0.456 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.277 12.160 0.904 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.205 10.914 -0.755 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.283 9.545 -0.571 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.570 10.493 -2.360 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.352 12.652 -2.662 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.323 14.124 -2.563 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.113 12.491 -1.233 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.433 14.034 -1.761 1.00 0.00 H new ATOM 84 N MET A 22 -4.542 8.254 3.684 1.00 0.00 N ATOM 85 CA MET A 22 -4.617 7.405 4.906 1.00 0.00 C ATOM 86 C MET A 22 -3.240 7.269 5.553 1.00 0.00 C ATOM 87 O MET A 22 -2.220 7.369 4.899 1.00 0.00 O ATOM 88 CB MET A 22 -5.111 6.047 4.407 1.00 0.00 C ATOM 89 CG MET A 22 -6.332 6.249 3.506 1.00 0.00 C ATOM 90 SD MET A 22 -7.114 4.649 3.187 1.00 0.00 S ATOM 91 CE MET A 22 -7.199 4.794 1.386 1.00 0.00 C ATOM 0 H MET A 22 -4.533 7.745 2.800 1.00 0.00 H new ATOM 0 HA MET A 22 -5.275 7.832 5.663 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.319 5.540 3.856 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.371 5.409 5.252 1.00 0.00 H new ATOM 0 HG2 MET A 22 -7.042 6.925 3.983 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.032 6.713 2.567 1.00 0.00 H new ATOM 0 HE1 MET A 22 -8.134 4.362 1.030 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.154 5.846 1.103 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.360 4.261 0.938 1.00 0.00 H new ATOM 101 N GLU A 23 -3.202 7.047 6.840 1.00 0.00 N ATOM 102 CA GLU A 23 -1.892 6.911 7.531 1.00 0.00 C ATOM 103 C GLU A 23 -1.223 5.592 7.154 1.00 0.00 C ATOM 104 O GLU A 23 -0.062 5.386 7.425 1.00 0.00 O ATOM 105 CB GLU A 23 -2.211 6.938 9.025 1.00 0.00 C ATOM 106 CG GLU A 23 -0.993 6.440 9.812 1.00 0.00 C ATOM 107 CD GLU A 23 -1.317 6.432 11.308 1.00 0.00 C ATOM 108 OE1 GLU A 23 -1.907 7.394 11.772 1.00 0.00 O ATOM 109 OE2 GLU A 23 -0.970 5.463 11.965 1.00 0.00 O ATOM 0 H GLU A 23 -4.022 6.954 7.440 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.204 7.708 7.250 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.470 7.950 9.335 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.076 6.309 9.235 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.720 5.437 9.483 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.135 7.083 9.619 1.00 0.00 H new ATOM 116 N LYS A 24 -1.937 4.696 6.529 1.00 0.00 N ATOM 117 CA LYS A 24 -1.301 3.406 6.142 1.00 0.00 C ATOM 118 C LYS A 24 -0.391 3.641 4.933 1.00 0.00 C ATOM 119 O LYS A 24 0.702 3.113 4.855 1.00 0.00 O ATOM 120 CB LYS A 24 -2.453 2.452 5.807 1.00 0.00 C ATOM 121 CG LYS A 24 -3.288 3.013 4.655 1.00 0.00 C ATOM 122 CD LYS A 24 -4.232 1.927 4.139 1.00 0.00 C ATOM 123 CE LYS A 24 -5.654 2.202 4.631 1.00 0.00 C ATOM 124 NZ LYS A 24 -5.944 1.107 5.597 1.00 0.00 N ATOM 0 H LYS A 24 -2.919 4.799 6.273 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.682 2.985 6.935 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.057 1.474 5.535 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.082 2.308 6.685 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.860 3.877 4.993 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.636 3.356 3.852 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.212 1.903 3.049 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.900 0.948 4.486 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.725 3.179 5.109 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.365 2.199 3.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.904 1.226 5.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.876 0.189 5.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.255 1.139 6.375 1.00 0.00 H new ATOM 138 N LEU A 25 -0.814 4.460 4.007 1.00 0.00 N ATOM 139 CA LEU A 25 0.050 4.751 2.832 1.00 0.00 C ATOM 140 C LEU A 25 1.195 5.649 3.291 1.00 0.00 C ATOM 141 O LEU A 25 2.352 5.369 3.059 1.00 0.00 O ATOM 142 CB LEU A 25 -0.842 5.484 1.823 1.00 0.00 C ATOM 143 CG LEU A 25 -2.031 4.605 1.408 1.00 0.00 C ATOM 144 CD1 LEU A 25 -2.562 5.084 0.056 1.00 0.00 C ATOM 145 CD2 LEU A 25 -1.597 3.141 1.276 1.00 0.00 C ATOM 0 H LEU A 25 -1.716 4.937 4.015 1.00 0.00 H new ATOM 0 HA LEU A 25 0.475 3.852 2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.206 6.414 2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.258 5.753 0.943 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.805 4.681 2.171 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.406 4.463 -0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.886 6.122 0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.773 5.009 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.452 2.533 0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.816 3.060 0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.213 2.788 2.233 1.00 0.00 H new ATOM 157 N ASN A 26 0.882 6.720 3.971 1.00 0.00 N ATOM 158 CA ASN A 26 1.959 7.616 4.470 1.00 0.00 C ATOM 159 C ASN A 26 2.985 6.781 5.231 1.00 0.00 C ATOM 160 O ASN A 26 4.161 6.792 4.929 1.00 0.00 O ATOM 161 CB ASN A 26 1.256 8.594 5.412 1.00 0.00 C ATOM 162 CG ASN A 26 0.584 9.695 4.592 1.00 0.00 C ATOM 163 OD1 ASN A 26 1.157 10.201 3.648 1.00 0.00 O ATOM 164 ND2 ASN A 26 -0.617 10.087 4.915 1.00 0.00 N ATOM 0 H ASN A 26 -0.069 7.010 4.200 1.00 0.00 H new ATOM 0 HA ASN A 26 2.484 8.139 3.671 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.514 8.068 6.012 1.00 0.00 H new ATOM 0 HB3 ASN A 26 1.976 9.029 6.105 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -1.077 10.820 4.375 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.097 9.661 5.708 1.00 0.00 H new ATOM 171 N GLN A 27 2.542 6.040 6.211 1.00 0.00 N ATOM 172 CA GLN A 27 3.485 5.187 6.982 1.00 0.00 C ATOM 173 C GLN A 27 4.288 4.317 6.017 1.00 0.00 C ATOM 174 O GLN A 27 5.488 4.207 6.125 1.00 0.00 O ATOM 175 CB GLN A 27 2.608 4.314 7.877 1.00 0.00 C ATOM 176 CG GLN A 27 2.480 4.961 9.257 1.00 0.00 C ATOM 177 CD GLN A 27 2.969 3.981 10.325 1.00 0.00 C ATOM 178 OE1 GLN A 27 4.073 4.103 10.818 1.00 0.00 O ATOM 179 NE2 GLN A 27 2.189 3.006 10.705 1.00 0.00 N ATOM 0 H GLN A 27 1.568 5.990 6.509 1.00 0.00 H new ATOM 0 HA GLN A 27 4.192 5.775 7.567 1.00 0.00 H new ATOM 0 HB2 GLN A 27 1.622 4.191 7.429 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.042 3.319 7.970 1.00 0.00 H new ATOM 0 HG2 GLN A 27 3.065 5.880 9.296 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.442 5.235 9.447 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.262 2.903 10.291 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.506 2.347 11.416 1.00 0.00 H new ATOM 188 N LEU A 28 3.629 3.698 5.072 1.00 0.00 N ATOM 189 CA LEU A 28 4.361 2.838 4.097 1.00 0.00 C ATOM 190 C LEU A 28 5.373 3.675 3.317 1.00 0.00 C ATOM 191 O LEU A 28 6.554 3.623 3.574 1.00 0.00 O ATOM 192 CB LEU A 28 3.285 2.287 3.157 1.00 0.00 C ATOM 193 CG LEU A 28 3.228 0.763 3.281 1.00 0.00 C ATOM 194 CD1 LEU A 28 2.408 0.381 4.514 1.00 0.00 C ATOM 195 CD2 LEU A 28 2.566 0.177 2.031 1.00 0.00 C ATOM 0 H LEU A 28 2.620 3.751 4.934 1.00 0.00 H new ATOM 0 HA LEU A 28 4.916 2.039 4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.315 2.719 3.405 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.507 2.570 2.128 1.00 0.00 H new ATOM 0 HG LEU A 28 4.239 0.368 3.380 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.368 -0.705 4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.875 0.800 5.405 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.397 0.775 4.415 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.524 -0.909 2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.555 0.573 1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.147 0.449 1.150 1.00 0.00 H new ATOM 207 N TRP A 29 4.910 4.445 2.369 1.00 0.00 N ATOM 208 CA TRP A 29 5.824 5.302 1.558 1.00 0.00 C ATOM 209 C TRP A 29 6.980 5.837 2.418 1.00 0.00 C ATOM 210 O TRP A 29 8.142 5.544 2.177 1.00 0.00 O ATOM 211 CB TRP A 29 4.915 6.434 1.084 1.00 0.00 C ATOM 212 CG TRP A 29 5.694 7.447 0.320 1.00 0.00 C ATOM 213 CD1 TRP A 29 5.662 8.775 0.557 1.00 0.00 C ATOM 214 CD2 TRP A 29 6.593 7.250 -0.806 1.00 0.00 C ATOM 215 NE1 TRP A 29 6.504 9.409 -0.340 1.00 0.00 N ATOM 216 CE2 TRP A 29 7.098 8.511 -1.204 1.00 0.00 C ATOM 217 CE3 TRP A 29 7.020 6.111 -1.509 1.00 0.00 C ATOM 218 CZ2 TRP A 29 7.994 8.637 -2.264 1.00 0.00 C ATOM 219 CZ3 TRP A 29 7.921 6.234 -2.578 1.00 0.00 C ATOM 220 CH2 TRP A 29 8.406 7.493 -2.954 1.00 0.00 C ATOM 0 H TRP A 29 3.924 4.518 2.119 1.00 0.00 H new ATOM 0 HA TRP A 29 6.297 4.767 0.735 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.120 6.031 0.457 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.436 6.907 1.942 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.076 9.263 1.321 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.666 10.416 -0.360 1.00 0.00 H new ATOM 0 HE3 TRP A 29 6.653 5.136 -1.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.367 9.610 -2.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 8.242 5.353 -3.114 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.099 7.580 -3.778 1.00 0.00 H new ATOM 231 N GLU A 30 6.677 6.615 3.423 1.00 0.00 N ATOM 232 CA GLU A 30 7.758 7.154 4.291 1.00 0.00 C ATOM 233 C GLU A 30 8.697 6.024 4.711 1.00 0.00 C ATOM 234 O GLU A 30 9.905 6.153 4.649 1.00 0.00 O ATOM 235 CB GLU A 30 7.048 7.745 5.509 1.00 0.00 C ATOM 236 CG GLU A 30 6.941 9.264 5.356 1.00 0.00 C ATOM 237 CD GLU A 30 8.344 9.867 5.271 1.00 0.00 C ATOM 238 OE1 GLU A 30 9.166 9.521 6.102 1.00 0.00 O ATOM 239 OE2 GLU A 30 8.571 10.666 4.377 1.00 0.00 O ATOM 0 H GLU A 30 5.731 6.898 3.678 1.00 0.00 H new ATOM 0 HA GLU A 30 8.362 7.903 3.780 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.054 7.309 5.610 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.598 7.499 6.417 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.372 9.511 4.459 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.402 9.689 6.203 1.00 0.00 H new ATOM 246 N LYS A 31 8.158 4.910 5.131 1.00 0.00 N ATOM 247 CA LYS A 31 9.036 3.779 5.537 1.00 0.00 C ATOM 248 C LYS A 31 9.981 3.444 4.389 1.00 0.00 C ATOM 249 O LYS A 31 11.169 3.284 4.576 1.00 0.00 O ATOM 250 CB LYS A 31 8.096 2.610 5.820 1.00 0.00 C ATOM 251 CG LYS A 31 8.711 1.715 6.893 1.00 0.00 C ATOM 252 CD LYS A 31 7.640 0.780 7.452 1.00 0.00 C ATOM 253 CE LYS A 31 8.005 -0.667 7.117 1.00 0.00 C ATOM 254 NZ LYS A 31 8.813 -1.134 8.279 1.00 0.00 N ATOM 0 H LYS A 31 7.156 4.737 5.209 1.00 0.00 H new ATOM 0 HA LYS A 31 9.645 4.013 6.410 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.126 2.981 6.152 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.924 2.038 4.908 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.531 1.134 6.471 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.131 2.324 7.693 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.559 0.906 8.532 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.667 1.029 7.028 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.113 -1.279 6.984 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.574 -0.727 6.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.103 -2.121 8.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.658 -0.536 8.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.242 -1.071 9.146 1.00 0.00 H new ATOM 268 N ALA A 32 9.458 3.353 3.195 1.00 0.00 N ATOM 269 CA ALA A 32 10.314 3.052 2.026 1.00 0.00 C ATOM 270 C ALA A 32 11.472 4.041 1.992 1.00 0.00 C ATOM 271 O ALA A 32 12.618 3.669 1.838 1.00 0.00 O ATOM 272 CB ALA A 32 9.404 3.239 0.815 1.00 0.00 C ATOM 0 H ALA A 32 8.468 3.476 2.985 1.00 0.00 H new ATOM 0 HA ALA A 32 10.740 2.049 2.053 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.965 3.034 -0.097 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.560 2.552 0.884 1.00 0.00 H new ATOM 0 HB3 ALA A 32 9.036 4.265 0.791 1.00 0.00 H new ATOM 278 N GLN A 33 11.181 5.303 2.152 1.00 0.00 N ATOM 279 CA GLN A 33 12.278 6.312 2.152 1.00 0.00 C ATOM 280 C GLN A 33 13.230 6.009 3.310 1.00 0.00 C ATOM 281 O GLN A 33 14.416 6.258 3.240 1.00 0.00 O ATOM 282 CB GLN A 33 11.583 7.658 2.348 1.00 0.00 C ATOM 283 CG GLN A 33 10.624 7.897 1.182 1.00 0.00 C ATOM 284 CD GLN A 33 9.757 9.120 1.466 1.00 0.00 C ATOM 285 OE1 GLN A 33 8.481 9.053 1.224 1.00 0.00 O flip ATOM 286 NE2 GLN A 33 10.244 10.141 1.909 1.00 0.00 N flip ATOM 0 H GLN A 33 10.241 5.677 2.282 1.00 0.00 H new ATOM 0 HA GLN A 33 12.867 6.306 1.235 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.038 7.666 3.292 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.321 8.459 2.399 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.187 8.046 0.261 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.994 7.020 1.032 1.00 0.00 H new ATOM 0 HE21 GLN A 33 11.245 10.189 2.097 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.652 10.951 2.093 1.00 0.00 H new ATOM 295 N ARG A 34 12.708 5.458 4.372 1.00 0.00 N ATOM 296 CA ARG A 34 13.563 5.111 5.542 1.00 0.00 C ATOM 297 C ARG A 34 14.361 3.834 5.246 1.00 0.00 C ATOM 298 O ARG A 34 15.383 3.576 5.850 1.00 0.00 O ATOM 299 CB ARG A 34 12.582 4.882 6.693 1.00 0.00 C ATOM 300 CG ARG A 34 13.079 5.607 7.945 1.00 0.00 C ATOM 301 CD ARG A 34 12.094 6.718 8.317 1.00 0.00 C ATOM 302 NE ARG A 34 11.153 6.088 9.282 1.00 0.00 N ATOM 303 CZ ARG A 34 10.785 6.736 10.353 1.00 0.00 C ATOM 304 NH1 ARG A 34 10.008 7.780 10.249 1.00 0.00 N ATOM 305 NH2 ARG A 34 11.193 6.342 11.528 1.00 0.00 N ATOM 0 H ARG A 34 11.719 5.232 4.480 1.00 0.00 H new ATOM 0 HA ARG A 34 14.287 5.891 5.777 1.00 0.00 H new ATOM 0 HB2 ARG A 34 11.592 5.247 6.418 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.484 3.815 6.893 1.00 0.00 H new ATOM 0 HG2 ARG A 34 13.178 4.903 8.771 1.00 0.00 H new ATOM 0 HG3 ARG A 34 14.068 6.028 7.766 1.00 0.00 H new ATOM 0 HD2 ARG A 34 12.608 7.568 8.765 1.00 0.00 H new ATOM 0 HD3 ARG A 34 11.568 7.090 7.438 1.00 0.00 H new ATOM 0 HE ARG A 34 10.795 5.149 9.106 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.689 8.089 9.331 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.720 8.287 11.086 1.00 0.00 H new ATOM 0 HH21 ARG A 34 11.800 5.527 11.610 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.905 6.849 12.365 1.00 0.00 H new ATOM 319 N LEU A 35 13.903 3.036 4.313 1.00 0.00 N ATOM 320 CA LEU A 35 14.639 1.781 3.971 1.00 0.00 C ATOM 321 C LEU A 35 15.851 2.101 3.091 1.00 0.00 C ATOM 322 O LEU A 35 16.519 1.215 2.597 1.00 0.00 O ATOM 323 CB LEU A 35 13.635 0.915 3.194 1.00 0.00 C ATOM 324 CG LEU A 35 12.351 0.688 4.011 1.00 0.00 C ATOM 325 CD1 LEU A 35 11.788 -0.696 3.689 1.00 0.00 C ATOM 326 CD2 LEU A 35 12.642 0.770 5.515 1.00 0.00 C ATOM 0 H LEU A 35 13.052 3.200 3.774 1.00 0.00 H new ATOM 0 HA LEU A 35 15.010 1.274 4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 35 13.388 1.399 2.249 1.00 0.00 H new ATOM 0 HB3 LEU A 35 14.090 -0.045 2.951 1.00 0.00 H new ATOM 0 HG LEU A 35 11.630 1.462 3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.878 -0.862 4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.560 -0.757 2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.524 -1.457 3.947 1.00 0.00 H new ATOM 0 HD21 LEU A 35 11.720 0.607 6.073 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.371 0.007 5.787 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.042 1.755 5.755 1.00 0.00 H new ATOM 338 N HIS A 36 16.131 3.361 2.888 1.00 0.00 N ATOM 339 CA HIS A 36 17.294 3.755 2.039 1.00 0.00 C ATOM 340 C HIS A 36 17.098 3.270 0.600 1.00 0.00 C ATOM 341 O HIS A 36 18.049 3.075 -0.131 1.00 0.00 O ATOM 342 CB HIS A 36 18.517 3.086 2.675 1.00 0.00 C ATOM 343 CG HIS A 36 18.640 3.520 4.109 1.00 0.00 C ATOM 344 ND1 HIS A 36 17.962 3.145 5.242 1.00 0.00 N flip ATOM 345 CD2 HIS A 36 19.569 4.464 4.518 1.00 0.00 C flip ATOM 346 CE1 HIS A 36 18.459 3.845 6.338 1.00 0.00 C flip ATOM 347 NE2 HIS A 36 19.426 4.625 5.846 1.00 0.00 N flip ATOM 0 H HIS A 36 15.600 4.140 3.277 1.00 0.00 H new ATOM 0 HA HIS A 36 17.410 4.838 1.992 1.00 0.00 H new ATOM 0 HB2 HIS A 36 18.421 2.002 2.620 1.00 0.00 H new ATOM 0 HB3 HIS A 36 19.419 3.355 2.124 1.00 0.00 H new ATOM 0 HD1 HIS A 36 17.209 2.458 5.276 1.00 0.00 H new ATOM 0 HD2 HIS A 36 20.279 4.977 3.886 1.00 0.00 H new ATOM 0 HE1 HIS A 36 18.133 3.773 7.365 1.00 0.00 H new ATOM 355 N LEU A 37 15.876 3.083 0.177 1.00 0.00 N ATOM 356 CA LEU A 37 15.646 2.624 -1.221 1.00 0.00 C ATOM 357 C LEU A 37 16.217 3.643 -2.208 1.00 0.00 C ATOM 358 O LEU A 37 16.447 4.785 -1.863 1.00 0.00 O ATOM 359 CB LEU A 37 14.125 2.569 -1.389 1.00 0.00 C ATOM 360 CG LEU A 37 13.538 1.347 -0.680 1.00 0.00 C ATOM 361 CD1 LEU A 37 12.014 1.409 -0.772 1.00 0.00 C ATOM 362 CD2 LEU A 37 14.024 0.064 -1.356 1.00 0.00 C ATOM 0 H LEU A 37 15.034 3.227 0.735 1.00 0.00 H new ATOM 0 HA LEU A 37 16.123 1.662 -1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.678 3.477 -0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.874 2.534 -2.449 1.00 0.00 H new ATOM 0 HG LEU A 37 13.857 1.346 0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.584 0.543 -0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.657 2.321 -0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.712 1.408 -1.819 1.00 0.00 H new ATOM 0 HD21 LEU A 37 13.601 -0.800 -0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.706 0.059 -2.399 1.00 0.00 H new ATOM 0 HD23 LEU A 37 15.112 0.017 -1.308 1.00 0.00 H new ATOM 374 N PRO A 38 16.383 3.195 -3.419 1.00 0.00 N ATOM 375 CA PRO A 38 16.876 4.073 -4.496 1.00 0.00 C ATOM 376 C PRO A 38 15.692 4.889 -5.020 1.00 0.00 C ATOM 377 O PRO A 38 14.564 4.632 -4.652 1.00 0.00 O ATOM 378 CB PRO A 38 17.378 3.095 -5.552 1.00 0.00 C ATOM 379 CG PRO A 38 16.608 1.830 -5.319 1.00 0.00 C ATOM 380 CD PRO A 38 16.134 1.836 -3.885 1.00 0.00 C ATOM 0 HA PRO A 38 17.653 4.775 -4.192 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.207 3.480 -6.557 1.00 0.00 H new ATOM 0 HB3 PRO A 38 18.450 2.926 -5.454 1.00 0.00 H new ATOM 0 HG2 PRO A 38 15.760 1.768 -6.001 1.00 0.00 H new ATOM 0 HG3 PRO A 38 17.236 0.960 -5.510 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.076 1.581 -3.816 1.00 0.00 H new ATOM 0 HD3 PRO A 38 16.677 1.106 -3.285 1.00 0.00 H new ATOM 388 N PRO A 39 15.970 5.840 -5.861 1.00 0.00 N ATOM 389 CA PRO A 39 14.884 6.681 -6.419 1.00 0.00 C ATOM 390 C PRO A 39 13.993 5.851 -7.351 1.00 0.00 C ATOM 391 O PRO A 39 12.818 6.129 -7.516 1.00 0.00 O ATOM 392 CB PRO A 39 15.634 7.771 -7.178 1.00 0.00 C ATOM 393 CG PRO A 39 16.964 7.167 -7.501 1.00 0.00 C ATOM 394 CD PRO A 39 17.289 6.222 -6.374 1.00 0.00 C ATOM 0 HA PRO A 39 14.216 7.090 -5.661 1.00 0.00 H new ATOM 0 HB2 PRO A 39 15.101 8.061 -8.084 1.00 0.00 H new ATOM 0 HB3 PRO A 39 15.745 8.670 -6.572 1.00 0.00 H new ATOM 0 HG2 PRO A 39 16.929 6.638 -8.453 1.00 0.00 H new ATOM 0 HG3 PRO A 39 17.728 7.938 -7.593 1.00 0.00 H new ATOM 0 HD2 PRO A 39 17.850 5.356 -6.725 1.00 0.00 H new ATOM 0 HD3 PRO A 39 17.894 6.705 -5.607 1.00 0.00 H new ATOM 402 N VAL A 40 14.537 4.831 -7.956 1.00 0.00 N ATOM 403 CA VAL A 40 13.716 3.988 -8.872 1.00 0.00 C ATOM 404 C VAL A 40 12.685 3.180 -8.080 1.00 0.00 C ATOM 405 O VAL A 40 11.520 3.156 -8.418 1.00 0.00 O ATOM 406 CB VAL A 40 14.713 3.060 -9.569 1.00 0.00 C ATOM 407 CG1 VAL A 40 15.326 2.092 -8.558 1.00 0.00 C ATOM 408 CG2 VAL A 40 13.990 2.269 -10.660 1.00 0.00 C ATOM 0 H VAL A 40 15.511 4.545 -7.857 1.00 0.00 H new ATOM 0 HA VAL A 40 13.156 4.590 -9.588 1.00 0.00 H new ATOM 0 HB VAL A 40 15.508 3.659 -10.013 1.00 0.00 H new ATOM 0 HG11 VAL A 40 16.034 1.436 -9.065 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.845 2.656 -7.783 1.00 0.00 H new ATOM 0 HG13 VAL A 40 14.537 1.492 -8.104 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.698 1.607 -11.159 1.00 0.00 H new ATOM 0 HG22 VAL A 40 13.192 1.677 -10.212 1.00 0.00 H new ATOM 0 HG23 VAL A 40 13.564 2.959 -11.388 1.00 0.00 H new ATOM 418 N ARG A 41 13.095 2.522 -7.031 1.00 0.00 N ATOM 419 CA ARG A 41 12.124 1.730 -6.236 1.00 0.00 C ATOM 420 C ARG A 41 11.170 2.664 -5.503 1.00 0.00 C ATOM 421 O ARG A 41 10.030 2.332 -5.256 1.00 0.00 O ATOM 422 CB ARG A 41 12.980 0.947 -5.248 1.00 0.00 C ATOM 423 CG ARG A 41 13.002 -0.521 -5.664 1.00 0.00 C ATOM 424 CD ARG A 41 13.483 -1.380 -4.500 1.00 0.00 C ATOM 425 NE ARG A 41 14.853 -0.899 -4.187 1.00 0.00 N ATOM 426 CZ ARG A 41 15.893 -1.491 -4.707 1.00 0.00 C ATOM 427 NH1 ARG A 41 16.139 -1.385 -5.983 1.00 0.00 N ATOM 428 NH2 ARG A 41 16.692 -2.189 -3.947 1.00 0.00 N ATOM 0 H ARG A 41 14.057 2.500 -6.693 1.00 0.00 H new ATOM 0 HA ARG A 41 11.511 1.072 -6.853 1.00 0.00 H new ATOM 0 HB2 ARG A 41 13.993 1.348 -5.228 1.00 0.00 H new ATOM 0 HB3 ARG A 41 12.578 1.047 -4.240 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.005 -0.836 -5.973 1.00 0.00 H new ATOM 0 HG3 ARG A 41 13.659 -0.655 -6.523 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.825 -1.276 -3.638 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.491 -2.436 -4.769 1.00 0.00 H new ATOM 0 HE ARG A 41 14.981 -0.102 -3.563 1.00 0.00 H new ATOM 0 HH11 ARG A 41 15.517 -0.838 -6.578 1.00 0.00 H new ATOM 0 HH12 ARG A 41 16.953 -1.849 -6.386 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.503 -2.271 -2.948 1.00 0.00 H new ATOM 0 HH22 ARG A 41 17.505 -2.652 -4.352 1.00 0.00 H new ATOM 442 N LEU A 42 11.622 3.836 -5.164 1.00 0.00 N ATOM 443 CA LEU A 42 10.725 4.790 -4.465 1.00 0.00 C ATOM 444 C LEU A 42 9.737 5.374 -5.473 1.00 0.00 C ATOM 445 O LEU A 42 8.624 5.722 -5.138 1.00 0.00 O ATOM 446 CB LEU A 42 11.644 5.870 -3.905 1.00 0.00 C ATOM 447 CG LEU A 42 12.417 5.300 -2.718 1.00 0.00 C ATOM 448 CD1 LEU A 42 13.781 5.981 -2.631 1.00 0.00 C ATOM 449 CD2 LEU A 42 11.632 5.553 -1.426 1.00 0.00 C ATOM 0 H LEU A 42 12.569 4.173 -5.340 1.00 0.00 H new ATOM 0 HA LEU A 42 10.142 4.324 -3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 42 12.335 6.212 -4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 42 11.060 6.736 -3.593 1.00 0.00 H new ATOM 0 HG LEU A 42 12.553 4.227 -2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 42 14.336 5.577 -1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 42 14.338 5.799 -3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 42 13.644 7.054 -2.496 1.00 0.00 H new ATOM 0 HD21 LEU A 42 12.184 5.146 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 42 11.495 6.625 -1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.658 5.068 -1.491 1.00 0.00 H new ATOM 461 N ALA A 43 10.132 5.468 -6.716 1.00 0.00 N ATOM 462 CA ALA A 43 9.202 6.007 -7.749 1.00 0.00 C ATOM 463 C ALA A 43 8.143 4.950 -8.074 1.00 0.00 C ATOM 464 O ALA A 43 6.951 5.184 -7.955 1.00 0.00 O ATOM 465 CB ALA A 43 10.077 6.288 -8.969 1.00 0.00 C ATOM 0 H ALA A 43 11.054 5.196 -7.058 1.00 0.00 H new ATOM 0 HA ALA A 43 8.679 6.905 -7.420 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.461 6.688 -9.774 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.846 7.014 -8.706 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.549 5.363 -9.299 1.00 0.00 H new ATOM 471 N GLU A 44 8.567 3.774 -8.461 1.00 0.00 N ATOM 472 CA GLU A 44 7.586 2.699 -8.766 1.00 0.00 C ATOM 473 C GLU A 44 6.768 2.408 -7.509 1.00 0.00 C ATOM 474 O GLU A 44 5.583 2.140 -7.568 1.00 0.00 O ATOM 475 CB GLU A 44 8.432 1.486 -9.159 1.00 0.00 C ATOM 476 CG GLU A 44 9.142 1.768 -10.484 1.00 0.00 C ATOM 477 CD GLU A 44 9.328 0.459 -11.252 1.00 0.00 C ATOM 478 OE1 GLU A 44 8.381 -0.308 -11.316 1.00 0.00 O ATOM 479 OE2 GLU A 44 10.415 0.245 -11.763 1.00 0.00 O ATOM 0 H GLU A 44 9.547 3.516 -8.578 1.00 0.00 H new ATOM 0 HA GLU A 44 6.889 2.967 -9.560 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.164 1.272 -8.380 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.800 0.603 -9.254 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.559 2.471 -11.079 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.110 2.234 -10.298 1.00 0.00 H new ATOM 486 N LEU A 45 7.396 2.488 -6.366 1.00 0.00 N ATOM 487 CA LEU A 45 6.663 2.247 -5.094 1.00 0.00 C ATOM 488 C LEU A 45 5.569 3.301 -4.957 1.00 0.00 C ATOM 489 O LEU A 45 4.429 2.993 -4.690 1.00 0.00 O ATOM 490 CB LEU A 45 7.715 2.406 -3.990 1.00 0.00 C ATOM 491 CG LEU A 45 7.035 2.701 -2.649 1.00 0.00 C ATOM 492 CD1 LEU A 45 6.310 1.450 -2.142 1.00 0.00 C ATOM 493 CD2 LEU A 45 8.096 3.108 -1.632 1.00 0.00 C ATOM 0 H LEU A 45 8.386 2.710 -6.261 1.00 0.00 H new ATOM 0 HA LEU A 45 6.190 1.266 -5.048 1.00 0.00 H new ATOM 0 HB2 LEU A 45 8.311 1.497 -3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 45 8.400 3.215 -4.244 1.00 0.00 H new ATOM 0 HG LEU A 45 6.312 3.506 -2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.830 1.669 -1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.555 1.148 -2.868 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.029 0.642 -2.009 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.620 3.320 -0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.813 2.296 -1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.615 4.000 -1.984 1.00 0.00 H new ATOM 505 N HIS A 46 5.911 4.544 -5.156 1.00 0.00 N ATOM 506 CA HIS A 46 4.890 5.619 -5.053 1.00 0.00 C ATOM 507 C HIS A 46 3.737 5.322 -6.008 1.00 0.00 C ATOM 508 O HIS A 46 2.585 5.490 -5.670 1.00 0.00 O ATOM 509 CB HIS A 46 5.606 6.905 -5.462 1.00 0.00 C ATOM 510 CG HIS A 46 4.827 8.083 -4.948 1.00 0.00 C ATOM 511 ND1 HIS A 46 3.761 8.626 -5.646 1.00 0.00 N ATOM 512 CD2 HIS A 46 4.941 8.825 -3.799 1.00 0.00 C ATOM 513 CE1 HIS A 46 3.277 9.648 -4.917 1.00 0.00 C ATOM 514 NE2 HIS A 46 3.962 9.813 -3.781 1.00 0.00 N ATOM 0 H HIS A 46 6.853 4.860 -5.385 1.00 0.00 H new ATOM 0 HA HIS A 46 4.473 5.698 -4.049 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.618 6.917 -5.058 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.696 6.957 -6.547 1.00 0.00 H new ATOM 0 HD1 HIS A 46 3.407 8.309 -6.549 1.00 0.00 H new ATOM 0 HD2 HIS A 46 5.679 8.666 -3.026 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.438 10.260 -5.213 1.00 0.00 H new ATOM 522 N ALA A 47 4.035 4.872 -7.195 1.00 0.00 N ATOM 523 CA ALA A 47 2.943 4.555 -8.159 1.00 0.00 C ATOM 524 C ALA A 47 2.053 3.450 -7.581 1.00 0.00 C ATOM 525 O ALA A 47 0.838 3.502 -7.662 1.00 0.00 O ATOM 526 CB ALA A 47 3.656 4.067 -9.421 1.00 0.00 C ATOM 0 H ALA A 47 4.982 4.710 -7.539 1.00 0.00 H new ATOM 0 HA ALA A 47 2.303 5.413 -8.365 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.917 3.813 -10.181 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.308 4.855 -9.798 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.251 3.185 -9.185 1.00 0.00 H new ATOM 532 N ASP A 48 2.653 2.450 -6.992 1.00 0.00 N ATOM 533 CA ASP A 48 1.853 1.337 -6.403 1.00 0.00 C ATOM 534 C ASP A 48 1.064 1.832 -5.185 1.00 0.00 C ATOM 535 O ASP A 48 0.007 1.320 -4.874 1.00 0.00 O ATOM 536 CB ASP A 48 2.883 0.287 -5.985 1.00 0.00 C ATOM 537 CG ASP A 48 3.590 -0.260 -7.227 1.00 0.00 C ATOM 538 OD1 ASP A 48 2.911 -0.501 -8.212 1.00 0.00 O ATOM 539 OD2 ASP A 48 4.797 -0.428 -7.173 1.00 0.00 O ATOM 0 H ASP A 48 3.664 2.356 -6.893 1.00 0.00 H new ATOM 0 HA ASP A 48 1.125 0.937 -7.108 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.611 0.728 -5.304 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.393 -0.524 -5.446 1.00 0.00 H new ATOM 544 N LEU A 49 1.559 2.828 -4.498 1.00 0.00 N ATOM 545 CA LEU A 49 0.823 3.350 -3.315 1.00 0.00 C ATOM 546 C LEU A 49 -0.318 4.232 -3.790 1.00 0.00 C ATOM 547 O LEU A 49 -1.357 4.313 -3.170 1.00 0.00 O ATOM 548 CB LEU A 49 1.843 4.172 -2.533 1.00 0.00 C ATOM 549 CG LEU A 49 2.973 3.262 -2.058 1.00 0.00 C ATOM 550 CD1 LEU A 49 4.034 4.102 -1.350 1.00 0.00 C ATOM 551 CD2 LEU A 49 2.412 2.220 -1.090 1.00 0.00 C ATOM 0 H LEU A 49 2.439 3.300 -4.706 1.00 0.00 H new ATOM 0 HA LEU A 49 0.398 2.556 -2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.243 4.968 -3.161 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.363 4.650 -1.679 1.00 0.00 H new ATOM 0 HG LEU A 49 3.422 2.756 -2.913 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.843 3.455 -1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.431 4.845 -2.042 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.587 4.606 -0.493 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.217 1.569 -0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.965 2.723 -0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.653 1.624 -1.597 1.00 0.00 H new ATOM 563 N LYS A 50 -0.136 4.880 -4.904 1.00 0.00 N ATOM 564 CA LYS A 50 -1.218 5.735 -5.434 1.00 0.00 C ATOM 565 C LYS A 50 -2.343 4.825 -5.907 1.00 0.00 C ATOM 566 O LYS A 50 -3.497 5.038 -5.608 1.00 0.00 O ATOM 567 CB LYS A 50 -0.604 6.495 -6.607 1.00 0.00 C ATOM 568 CG LYS A 50 0.351 7.574 -6.085 1.00 0.00 C ATOM 569 CD LYS A 50 -0.360 8.440 -5.041 1.00 0.00 C ATOM 570 CE LYS A 50 -1.696 8.930 -5.603 1.00 0.00 C ATOM 571 NZ LYS A 50 -1.682 10.405 -5.394 1.00 0.00 N ATOM 0 H LYS A 50 0.715 4.852 -5.466 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.623 6.429 -4.697 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.067 5.805 -7.258 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.390 6.952 -7.207 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.233 7.109 -5.644 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.697 8.196 -6.911 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.526 7.865 -4.130 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.266 9.290 -4.772 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.795 8.682 -6.660 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.536 8.466 -5.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.567 10.815 -5.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.593 10.611 -4.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.876 10.820 -5.903 1.00 0.00 H new ATOM 585 N ILE A 51 -2.002 3.787 -6.621 1.00 0.00 N ATOM 586 CA ILE A 51 -3.045 2.838 -7.083 1.00 0.00 C ATOM 587 C ILE A 51 -3.710 2.204 -5.860 1.00 0.00 C ATOM 588 O ILE A 51 -4.918 2.075 -5.791 1.00 0.00 O ATOM 589 CB ILE A 51 -2.293 1.790 -7.901 1.00 0.00 C ATOM 590 CG1 ILE A 51 -1.732 2.438 -9.172 1.00 0.00 C ATOM 591 CG2 ILE A 51 -3.246 0.656 -8.284 1.00 0.00 C ATOM 592 CD1 ILE A 51 -2.805 3.316 -9.824 1.00 0.00 C ATOM 0 H ILE A 51 -1.048 3.559 -6.902 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.828 3.312 -7.675 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.473 1.388 -7.306 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.856 3.039 -8.928 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.406 1.667 -9.871 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.707 -0.091 -8.868 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.643 0.193 -7.380 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.068 1.056 -8.877 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.401 3.774 -10.727 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.668 2.703 -10.083 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.110 4.096 -9.127 1.00 0.00 H new ATOM 604 N GLN A 52 -2.929 1.829 -4.878 1.00 0.00 N ATOM 605 CA GLN A 52 -3.517 1.229 -3.651 1.00 0.00 C ATOM 606 C GLN A 52 -4.334 2.292 -2.923 1.00 0.00 C ATOM 607 O GLN A 52 -5.267 1.994 -2.204 1.00 0.00 O ATOM 608 CB GLN A 52 -2.318 0.795 -2.802 1.00 0.00 C ATOM 609 CG GLN A 52 -2.813 0.172 -1.496 1.00 0.00 C ATOM 610 CD GLN A 52 -3.659 -1.062 -1.805 1.00 0.00 C ATOM 611 OE1 GLN A 52 -4.644 -1.377 -1.011 1.00 0.00 O flip ATOM 612 NE2 GLN A 52 -3.421 -1.748 -2.779 1.00 0.00 N flip ATOM 0 H GLN A 52 -1.913 1.914 -4.877 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.178 0.389 -3.863 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.711 0.076 -3.352 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.681 1.653 -2.589 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.965 -0.104 -0.869 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.402 0.898 -0.935 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.650 -1.502 -3.400 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.992 -2.570 -2.975 1.00 0.00 H new ATOM 621 N GLU A 53 -3.998 3.537 -3.118 1.00 0.00 N ATOM 622 CA GLU A 53 -4.763 4.618 -2.450 1.00 0.00 C ATOM 623 C GLU A 53 -6.151 4.718 -3.085 1.00 0.00 C ATOM 624 O GLU A 53 -7.156 4.498 -2.440 1.00 0.00 O ATOM 625 CB GLU A 53 -3.947 5.888 -2.698 1.00 0.00 C ATOM 626 CG GLU A 53 -4.341 6.955 -1.676 1.00 0.00 C ATOM 627 CD GLU A 53 -4.921 8.168 -2.404 1.00 0.00 C ATOM 628 OE1 GLU A 53 -4.179 8.810 -3.129 1.00 0.00 O ATOM 629 OE2 GLU A 53 -6.097 8.435 -2.224 1.00 0.00 O ATOM 0 H GLU A 53 -3.228 3.849 -3.710 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.910 4.445 -1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.882 5.670 -2.620 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.124 6.255 -3.709 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.074 6.552 -0.978 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.471 7.251 -1.090 1.00 0.00 H new ATOM 636 N ARG A 54 -6.211 5.020 -4.354 1.00 0.00 N ATOM 637 CA ARG A 54 -7.530 5.109 -5.040 1.00 0.00 C ATOM 638 C ARG A 54 -8.326 3.830 -4.774 1.00 0.00 C ATOM 639 O ARG A 54 -9.529 3.855 -4.587 1.00 0.00 O ATOM 640 CB ARG A 54 -7.190 5.232 -6.527 1.00 0.00 C ATOM 641 CG ARG A 54 -8.402 5.775 -7.286 1.00 0.00 C ATOM 642 CD ARG A 54 -9.015 4.659 -8.135 1.00 0.00 C ATOM 643 NE ARG A 54 -8.273 4.703 -9.425 1.00 0.00 N ATOM 644 CZ ARG A 54 -8.803 5.290 -10.464 1.00 0.00 C ATOM 645 NH1 ARG A 54 -10.067 5.119 -10.736 1.00 0.00 N ATOM 646 NH2 ARG A 54 -8.068 6.049 -11.231 1.00 0.00 N ATOM 0 H ARG A 54 -5.402 5.209 -4.945 1.00 0.00 H new ATOM 0 HA ARG A 54 -8.134 5.947 -4.693 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.336 5.896 -6.662 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.903 4.259 -6.927 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.141 6.160 -6.584 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.103 6.608 -7.922 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.906 3.689 -7.650 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -10.082 4.820 -8.288 1.00 0.00 H new ATOM 0 HE ARG A 54 -7.350 4.274 -9.497 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -10.642 4.527 -10.137 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -10.481 5.578 -11.548 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.079 6.184 -11.019 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.482 6.507 -12.043 1.00 0.00 H new ATOM 660 N ASP A 55 -7.653 2.714 -4.756 1.00 0.00 N ATOM 661 CA ASP A 55 -8.340 1.417 -4.505 1.00 0.00 C ATOM 662 C ASP A 55 -8.817 1.326 -3.053 1.00 0.00 C ATOM 663 O ASP A 55 -9.816 0.700 -2.756 1.00 0.00 O ATOM 664 CB ASP A 55 -7.264 0.361 -4.773 1.00 0.00 C ATOM 665 CG ASP A 55 -6.883 0.380 -6.255 1.00 0.00 C ATOM 666 OD1 ASP A 55 -7.303 1.296 -6.943 1.00 0.00 O ATOM 667 OD2 ASP A 55 -6.177 -0.522 -6.676 1.00 0.00 O ATOM 0 H ASP A 55 -6.646 2.645 -4.906 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.223 1.291 -5.131 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.385 0.559 -4.159 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.632 -0.626 -4.494 1.00 0.00 H new ATOM 672 N GLU A 56 -8.097 1.923 -2.143 1.00 0.00 N ATOM 673 CA GLU A 56 -8.498 1.841 -0.709 1.00 0.00 C ATOM 674 C GLU A 56 -9.616 2.833 -0.374 1.00 0.00 C ATOM 675 O GLU A 56 -10.420 2.579 0.498 1.00 0.00 O ATOM 676 CB GLU A 56 -7.227 2.158 0.077 1.00 0.00 C ATOM 677 CG GLU A 56 -6.373 0.894 0.177 1.00 0.00 C ATOM 678 CD GLU A 56 -5.192 1.146 1.111 1.00 0.00 C ATOM 679 OE1 GLU A 56 -4.577 2.193 0.987 1.00 0.00 O ATOM 680 OE2 GLU A 56 -4.920 0.289 1.936 1.00 0.00 O ATOM 0 H GLU A 56 -7.251 2.462 -2.329 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.899 0.858 -0.462 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.667 2.952 -0.417 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.481 2.520 1.073 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.975 0.065 0.550 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.013 0.607 -0.811 1.00 0.00 H new ATOM 687 N LEU A 57 -9.706 3.942 -1.056 1.00 0.00 N ATOM 688 CA LEU A 57 -10.817 4.884 -0.746 1.00 0.00 C ATOM 689 C LEU A 57 -12.054 4.392 -1.482 1.00 0.00 C ATOM 690 O LEU A 57 -13.141 4.342 -0.941 1.00 0.00 O ATOM 691 CB LEU A 57 -10.392 6.255 -1.271 1.00 0.00 C ATOM 692 CG LEU A 57 -8.929 6.518 -0.925 1.00 0.00 C ATOM 693 CD1 LEU A 57 -8.173 6.817 -2.213 1.00 0.00 C ATOM 694 CD2 LEU A 57 -8.833 7.718 0.018 1.00 0.00 C ATOM 0 H LEU A 57 -9.072 4.233 -1.800 1.00 0.00 H new ATOM 0 HA LEU A 57 -11.034 4.945 0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.532 6.299 -2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -11.022 7.031 -0.836 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.498 5.646 -0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.125 7.008 -1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.248 5.962 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -8.605 7.695 -2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.788 7.905 0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.254 8.598 -0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.389 7.508 0.932 1.00 0.00 H new ATOM 706 N ALA A 58 -11.880 3.992 -2.712 1.00 0.00 N ATOM 707 CA ALA A 58 -13.034 3.463 -3.479 1.00 0.00 C ATOM 708 C ALA A 58 -13.570 2.237 -2.744 1.00 0.00 C ATOM 709 O ALA A 58 -14.747 2.139 -2.418 1.00 0.00 O ATOM 710 CB ALA A 58 -12.466 3.079 -4.847 1.00 0.00 C ATOM 0 H ALA A 58 -10.992 4.010 -3.214 1.00 0.00 H new ATOM 0 HA ALA A 58 -13.851 4.177 -3.586 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -13.264 2.678 -5.473 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.039 3.961 -5.324 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.690 2.324 -4.720 1.00 0.00 H new ATOM 716 N TRP A 59 -12.708 1.306 -2.437 1.00 0.00 N ATOM 717 CA TRP A 59 -13.174 0.122 -1.689 1.00 0.00 C ATOM 718 C TRP A 59 -13.720 0.598 -0.345 1.00 0.00 C ATOM 719 O TRP A 59 -14.745 0.153 0.115 1.00 0.00 O ATOM 720 CB TRP A 59 -11.947 -0.767 -1.486 1.00 0.00 C ATOM 721 CG TRP A 59 -12.252 -1.717 -0.380 1.00 0.00 C ATOM 722 CD1 TRP A 59 -12.932 -2.873 -0.521 1.00 0.00 C ATOM 723 CD2 TRP A 59 -11.941 -1.585 1.033 1.00 0.00 C ATOM 724 NE1 TRP A 59 -13.066 -3.466 0.719 1.00 0.00 N ATOM 725 CE2 TRP A 59 -12.460 -2.713 1.713 1.00 0.00 C ATOM 726 CE3 TRP A 59 -11.259 -0.607 1.786 1.00 0.00 C ATOM 727 CZ2 TRP A 59 -12.312 -2.864 3.092 1.00 0.00 C ATOM 728 CZ3 TRP A 59 -11.108 -0.757 3.172 1.00 0.00 C ATOM 729 CH2 TRP A 59 -11.633 -1.883 3.825 1.00 0.00 C ATOM 0 H TRP A 59 -11.715 1.319 -2.671 1.00 0.00 H new ATOM 0 HA TRP A 59 -13.958 -0.427 -2.211 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -11.712 -1.309 -2.402 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -11.074 -0.163 -1.241 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -13.310 -3.270 -1.451 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.551 -4.348 0.883 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -10.851 0.262 1.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.718 -3.732 3.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -10.585 -0.002 3.740 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -11.513 -1.993 4.893 1.00 0.00 H new ATOM 740 N LYS A 60 -13.044 1.516 0.284 1.00 0.00 N ATOM 741 CA LYS A 60 -13.549 2.019 1.584 1.00 0.00 C ATOM 742 C LYS A 60 -14.996 2.449 1.392 1.00 0.00 C ATOM 743 O LYS A 60 -15.823 2.290 2.268 1.00 0.00 O ATOM 744 CB LYS A 60 -12.646 3.191 1.956 1.00 0.00 C ATOM 745 CG LYS A 60 -11.573 2.688 2.923 1.00 0.00 C ATOM 746 CD LYS A 60 -10.342 3.587 2.851 1.00 0.00 C ATOM 747 CE LYS A 60 -10.310 4.493 4.080 1.00 0.00 C ATOM 748 NZ LYS A 60 -9.629 3.692 5.136 1.00 0.00 N ATOM 0 H LYS A 60 -12.173 1.935 -0.043 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.530 1.274 2.379 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -12.184 3.612 1.063 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.230 3.987 2.418 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.965 2.676 3.940 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.300 1.663 2.674 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.437 2.982 2.807 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.368 4.188 1.942 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.768 5.416 3.875 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.317 4.776 4.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.805 4.123 6.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.000 2.721 5.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.606 3.673 4.952 1.00 0.00 H new ATOM 762 N LYS A 61 -15.327 2.933 0.225 1.00 0.00 N ATOM 763 CA LYS A 61 -16.742 3.291 -0.032 1.00 0.00 C ATOM 764 C LYS A 61 -17.522 1.984 -0.010 1.00 0.00 C ATOM 765 O LYS A 61 -18.564 1.869 0.606 1.00 0.00 O ATOM 766 CB LYS A 61 -16.763 3.927 -1.424 1.00 0.00 C ATOM 767 CG LYS A 61 -17.649 5.175 -1.404 1.00 0.00 C ATOM 768 CD LYS A 61 -18.194 5.437 -2.810 1.00 0.00 C ATOM 769 CE LYS A 61 -19.600 4.846 -2.935 1.00 0.00 C ATOM 770 NZ LYS A 61 -20.456 5.982 -3.375 1.00 0.00 N ATOM 0 H LYS A 61 -14.684 3.093 -0.550 1.00 0.00 H new ATOM 0 HA LYS A 61 -17.173 3.980 0.694 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -15.751 4.192 -1.729 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -17.140 3.213 -2.156 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -18.472 5.038 -0.703 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -17.076 6.035 -1.058 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -18.221 6.509 -3.007 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -17.534 4.992 -3.555 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -19.623 4.031 -3.658 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -19.943 4.438 -1.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -21.437 5.656 -3.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -20.420 6.740 -2.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -20.110 6.345 -4.286 1.00 0.00 H new ATOM 784 N LEU A 62 -16.983 0.977 -0.650 1.00 0.00 N ATOM 785 CA LEU A 62 -17.649 -0.360 -0.641 1.00 0.00 C ATOM 786 C LEU A 62 -17.836 -0.819 0.813 1.00 0.00 C ATOM 787 O LEU A 62 -18.923 -0.791 1.350 1.00 0.00 O ATOM 788 CB LEU A 62 -16.672 -1.294 -1.361 1.00 0.00 C ATOM 789 CG LEU A 62 -17.184 -1.612 -2.761 1.00 0.00 C ATOM 790 CD1 LEU A 62 -16.325 -0.880 -3.794 1.00 0.00 C ATOM 791 CD2 LEU A 62 -17.092 -3.122 -2.997 1.00 0.00 C ATOM 0 H LEU A 62 -16.111 1.023 -1.178 1.00 0.00 H new ATOM 0 HA LEU A 62 -18.628 -0.346 -1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -15.689 -0.827 -1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -16.552 -2.216 -0.792 1.00 0.00 H new ATOM 0 HG LEU A 62 -18.220 -1.288 -2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -16.689 -1.106 -4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -16.384 0.194 -3.620 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -15.289 -1.206 -3.703 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -17.457 -3.357 -3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -16.054 -3.442 -2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -17.700 -3.644 -2.257 1.00 0.00 H new ATOM 803 N LYS A 63 -16.768 -1.236 1.448 1.00 0.00 N ATOM 804 CA LYS A 63 -16.836 -1.698 2.870 1.00 0.00 C ATOM 805 C LYS A 63 -17.836 -0.869 3.677 1.00 0.00 C ATOM 806 O LYS A 63 -18.734 -1.396 4.303 1.00 0.00 O ATOM 807 CB LYS A 63 -15.425 -1.466 3.409 1.00 0.00 C ATOM 808 CG LYS A 63 -15.387 -1.772 4.907 1.00 0.00 C ATOM 809 CD LYS A 63 -15.067 -3.251 5.118 1.00 0.00 C ATOM 810 CE LYS A 63 -15.835 -3.771 6.336 1.00 0.00 C ATOM 811 NZ LYS A 63 -16.339 -5.112 5.928 1.00 0.00 N ATOM 0 H LYS A 63 -15.837 -1.276 1.034 1.00 0.00 H new ATOM 0 HA LYS A 63 -17.162 -2.736 2.942 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.715 -2.102 2.880 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.123 -0.434 3.231 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.635 -1.153 5.396 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.346 -1.528 5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -15.340 -3.823 4.231 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.995 -3.385 5.266 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.188 -3.841 7.210 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.656 -3.104 6.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -16.877 -5.534 6.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -16.957 -5.013 5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.535 -5.727 5.689 1.00 0.00 H new ATOM 825 N LEU A 64 -17.674 0.424 3.684 1.00 0.00 N ATOM 826 CA LEU A 64 -18.608 1.286 4.464 1.00 0.00 C ATOM 827 C LEU A 64 -20.059 0.968 4.084 1.00 0.00 C ATOM 828 O LEU A 64 -20.912 0.809 4.933 1.00 0.00 O ATOM 829 CB LEU A 64 -18.243 2.723 4.081 1.00 0.00 C ATOM 830 CG LEU A 64 -16.924 3.111 4.758 1.00 0.00 C ATOM 831 CD1 LEU A 64 -16.374 4.390 4.121 1.00 0.00 C ATOM 832 CD2 LEU A 64 -17.168 3.349 6.249 1.00 0.00 C ATOM 0 H LEU A 64 -16.937 0.922 3.185 1.00 0.00 H new ATOM 0 HA LEU A 64 -18.522 1.125 5.539 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -18.148 2.810 2.999 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -19.036 3.405 4.387 1.00 0.00 H new ATOM 0 HG LEU A 64 -16.202 2.305 4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.436 4.663 4.605 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -16.199 4.221 3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -17.095 5.198 4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -16.230 3.625 6.732 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -17.892 4.154 6.375 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -17.556 2.438 6.704 1.00 0.00 H new ATOM 844 N ASP A 65 -20.343 0.870 2.813 1.00 0.00 N ATOM 845 CA ASP A 65 -21.737 0.556 2.378 1.00 0.00 C ATOM 846 C ASP A 65 -22.094 -0.895 2.728 1.00 0.00 C ATOM 847 O ASP A 65 -23.250 -1.258 2.810 1.00 0.00 O ATOM 848 CB ASP A 65 -21.727 0.752 0.861 1.00 0.00 C ATOM 849 CG ASP A 65 -22.741 1.831 0.477 1.00 0.00 C ATOM 850 OD1 ASP A 65 -23.927 1.572 0.601 1.00 0.00 O ATOM 851 OD2 ASP A 65 -22.315 2.897 0.065 1.00 0.00 O ATOM 0 H ASP A 65 -19.671 0.994 2.056 1.00 0.00 H new ATOM 0 HA ASP A 65 -22.475 1.189 2.871 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -20.730 1.040 0.528 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -21.971 -0.185 0.361 1.00 0.00 H new ATOM 856 N GLY A 66 -21.107 -1.726 2.931 1.00 0.00 N ATOM 857 CA GLY A 66 -21.379 -3.152 3.272 1.00 0.00 C ATOM 858 C GLY A 66 -21.158 -4.018 2.031 1.00 0.00 C ATOM 859 O GLY A 66 -21.961 -4.870 1.705 1.00 0.00 O ATOM 0 H GLY A 66 -20.119 -1.477 2.875 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -20.722 -3.477 4.078 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -22.402 -3.264 3.630 1.00 0.00 H new ATOM 863 N LEU A 67 -20.085 -3.792 1.324 1.00 0.00 N ATOM 864 CA LEU A 67 -19.823 -4.587 0.090 1.00 0.00 C ATOM 865 C LEU A 67 -18.897 -5.764 0.388 1.00 0.00 C ATOM 866 O LEU A 67 -19.220 -6.904 0.122 1.00 0.00 O ATOM 867 CB LEU A 67 -19.131 -3.616 -0.865 1.00 0.00 C ATOM 868 CG LEU A 67 -20.153 -2.642 -1.474 1.00 0.00 C ATOM 869 CD1 LEU A 67 -20.845 -3.316 -2.659 1.00 0.00 C ATOM 870 CD2 LEU A 67 -21.210 -2.240 -0.438 1.00 0.00 C ATOM 0 H LEU A 67 -19.378 -3.091 1.547 1.00 0.00 H new ATOM 0 HA LEU A 67 -20.743 -5.001 -0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -18.361 -3.058 -0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -18.631 -4.171 -1.659 1.00 0.00 H new ATOM 0 HG LEU A 67 -19.626 -1.746 -1.801 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -21.571 -2.630 -3.095 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -20.102 -3.583 -3.410 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -21.356 -4.216 -2.318 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -21.921 -1.551 -0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -21.737 -3.129 -0.092 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -20.724 -1.754 0.408 1.00 0.00 H new ATOM 882 N ASP A 68 -17.739 -5.495 0.922 1.00 0.00 N ATOM 883 CA ASP A 68 -16.785 -6.596 1.220 1.00 0.00 C ATOM 884 C ASP A 68 -17.100 -7.223 2.583 1.00 0.00 C ATOM 885 O ASP A 68 -16.266 -7.259 3.465 1.00 0.00 O ATOM 886 CB ASP A 68 -15.409 -5.932 1.241 1.00 0.00 C ATOM 887 CG ASP A 68 -14.362 -6.941 1.716 1.00 0.00 C ATOM 888 OD1 ASP A 68 -14.042 -7.837 0.951 1.00 0.00 O ATOM 889 OD2 ASP A 68 -13.895 -6.800 2.833 1.00 0.00 O ATOM 0 H ASP A 68 -17.413 -4.560 1.165 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.841 -7.398 0.484 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.154 -5.569 0.246 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.421 -5.066 1.903 1.00 0.00 H new ATOM 894 N GLU A 69 -18.295 -7.713 2.763 1.00 0.00 N ATOM 895 CA GLU A 69 -18.656 -8.332 4.070 1.00 0.00 C ATOM 896 C GLU A 69 -17.939 -9.675 4.230 1.00 0.00 C ATOM 897 O GLU A 69 -17.977 -10.288 5.278 1.00 0.00 O ATOM 898 CB GLU A 69 -20.170 -8.532 4.010 1.00 0.00 C ATOM 899 CG GLU A 69 -20.867 -7.171 4.076 1.00 0.00 C ATOM 900 CD GLU A 69 -22.168 -7.223 3.272 1.00 0.00 C ATOM 901 OE1 GLU A 69 -22.208 -7.949 2.293 1.00 0.00 O ATOM 902 OE2 GLU A 69 -23.102 -6.535 3.650 1.00 0.00 O ATOM 0 H GLU A 69 -19.037 -7.712 2.063 1.00 0.00 H new ATOM 0 HA GLU A 69 -18.363 -7.713 4.918 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.443 -9.048 3.090 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -20.498 -9.161 4.838 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -21.078 -6.909 5.113 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -20.212 -6.396 3.678 1.00 0.00 H new ATOM 909 N ASP A 70 -17.281 -10.135 3.200 1.00 0.00 N ATOM 910 CA ASP A 70 -16.561 -11.436 3.296 1.00 0.00 C ATOM 911 C ASP A 70 -15.048 -11.206 3.248 1.00 0.00 C ATOM 912 O ASP A 70 -14.278 -11.956 3.814 1.00 0.00 O ATOM 913 CB ASP A 70 -17.022 -12.239 2.079 1.00 0.00 C ATOM 914 CG ASP A 70 -18.550 -12.291 2.052 1.00 0.00 C ATOM 915 OD1 ASP A 70 -19.150 -11.306 1.656 1.00 0.00 O ATOM 916 OD2 ASP A 70 -19.094 -13.317 2.426 1.00 0.00 O ATOM 0 H ASP A 70 -17.211 -9.666 2.297 1.00 0.00 H new ATOM 0 HA ASP A 70 -16.774 -11.957 4.229 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -16.647 -11.781 1.164 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -16.614 -13.249 2.120 1.00 0.00 H new ATOM 921 N GLY A 71 -14.615 -10.175 2.574 1.00 0.00 N ATOM 922 CA GLY A 71 -13.153 -9.900 2.492 1.00 0.00 C ATOM 923 C GLY A 71 -12.641 -10.257 1.096 1.00 0.00 C ATOM 924 O GLY A 71 -11.482 -10.567 0.911 1.00 0.00 O ATOM 0 H GLY A 71 -15.210 -9.512 2.077 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -12.958 -8.849 2.704 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -12.621 -10.481 3.245 1.00 0.00 H new ATOM 928 N GLU A 72 -13.496 -10.216 0.110 1.00 0.00 N ATOM 929 CA GLU A 72 -13.048 -10.553 -1.271 1.00 0.00 C ATOM 930 C GLU A 72 -12.563 -9.291 -1.983 1.00 0.00 C ATOM 931 O GLU A 72 -11.535 -9.288 -2.631 1.00 0.00 O ATOM 932 CB GLU A 72 -14.284 -11.126 -1.966 1.00 0.00 C ATOM 933 CG GLU A 72 -13.879 -12.336 -2.811 1.00 0.00 C ATOM 934 CD GLU A 72 -15.132 -13.017 -3.363 1.00 0.00 C ATOM 935 OE1 GLU A 72 -15.850 -13.616 -2.580 1.00 0.00 O ATOM 936 OE2 GLU A 72 -15.352 -12.929 -4.560 1.00 0.00 O ATOM 0 H GLU A 72 -14.480 -9.965 0.200 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.220 -11.262 -1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -15.028 -11.419 -1.225 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -14.745 -10.366 -2.597 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.233 -12.021 -3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.307 -13.040 -2.207 1.00 0.00 H new ATOM 943 N LYS A 73 -13.285 -8.214 -1.857 1.00 0.00 N ATOM 944 CA LYS A 73 -12.850 -6.952 -2.516 1.00 0.00 C ATOM 945 C LYS A 73 -11.646 -6.388 -1.765 1.00 0.00 C ATOM 946 O LYS A 73 -10.620 -6.096 -2.345 1.00 0.00 O ATOM 947 CB LYS A 73 -14.053 -6.010 -2.415 1.00 0.00 C ATOM 948 CG LYS A 73 -15.339 -6.782 -2.721 1.00 0.00 C ATOM 949 CD LYS A 73 -16.152 -6.026 -3.773 1.00 0.00 C ATOM 950 CE LYS A 73 -16.840 -7.024 -4.708 1.00 0.00 C ATOM 951 NZ LYS A 73 -17.913 -6.240 -5.381 1.00 0.00 N ATOM 0 H LYS A 73 -14.155 -8.153 -1.328 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.550 -7.094 -3.554 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -14.106 -5.578 -1.416 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.939 -5.182 -3.115 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.098 -7.782 -3.082 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.927 -6.905 -1.811 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.896 -5.395 -3.287 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.500 -5.366 -4.346 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.138 -7.436 -5.433 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.254 -7.865 -4.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.431 -6.855 -6.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -18.570 -5.866 -4.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.488 -5.450 -5.907 1.00 0.00 H new ATOM 965 N GLU A 74 -11.753 -6.255 -0.470 1.00 0.00 N ATOM 966 CA GLU A 74 -10.602 -5.737 0.319 1.00 0.00 C ATOM 967 C GLU A 74 -9.404 -6.670 0.129 1.00 0.00 C ATOM 968 O GLU A 74 -8.272 -6.305 0.377 1.00 0.00 O ATOM 969 CB GLU A 74 -11.074 -5.755 1.774 1.00 0.00 C ATOM 970 CG GLU A 74 -9.865 -5.622 2.704 1.00 0.00 C ATOM 971 CD GLU A 74 -10.340 -5.268 4.115 1.00 0.00 C ATOM 972 OE1 GLU A 74 -10.633 -6.182 4.866 1.00 0.00 O ATOM 973 OE2 GLU A 74 -10.401 -4.087 4.419 1.00 0.00 O ATOM 0 H GLU A 74 -12.586 -6.482 0.073 1.00 0.00 H new ATOM 0 HA GLU A 74 -10.294 -4.737 0.013 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.774 -4.938 1.951 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.607 -6.682 1.983 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.303 -6.556 2.722 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.190 -4.851 2.332 1.00 0.00 H new ATOM 980 N ALA A 75 -9.651 -7.873 -0.318 1.00 0.00 N ATOM 981 CA ALA A 75 -8.534 -8.835 -0.535 1.00 0.00 C ATOM 982 C ALA A 75 -7.576 -8.282 -1.591 1.00 0.00 C ATOM 983 O ALA A 75 -6.370 -8.358 -1.451 1.00 0.00 O ATOM 984 CB ALA A 75 -9.205 -10.117 -1.032 1.00 0.00 C ATOM 0 H ALA A 75 -10.580 -8.230 -0.542 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.950 -9.011 0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.446 -10.877 -1.215 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.905 -10.477 -0.278 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.743 -9.911 -1.957 1.00 0.00 H new ATOM 990 N ARG A 76 -8.103 -7.711 -2.642 1.00 0.00 N ATOM 991 CA ARG A 76 -7.214 -7.141 -3.692 1.00 0.00 C ATOM 992 C ARG A 76 -6.267 -6.130 -3.049 1.00 0.00 C ATOM 993 O ARG A 76 -5.095 -6.058 -3.371 1.00 0.00 O ATOM 994 CB ARG A 76 -8.156 -6.447 -4.680 1.00 0.00 C ATOM 995 CG ARG A 76 -7.335 -5.715 -5.745 1.00 0.00 C ATOM 996 CD ARG A 76 -7.469 -4.202 -5.547 1.00 0.00 C ATOM 997 NE ARG A 76 -8.622 -3.802 -6.403 1.00 0.00 N ATOM 998 CZ ARG A 76 -9.708 -3.328 -5.855 1.00 0.00 C ATOM 999 NH1 ARG A 76 -10.528 -4.131 -5.233 1.00 0.00 N ATOM 1000 NH2 ARG A 76 -9.977 -2.054 -5.932 1.00 0.00 N ATOM 0 H ARG A 76 -9.103 -7.616 -2.817 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.604 -7.896 -4.188 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.810 -7.181 -5.151 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -8.797 -5.741 -4.152 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.288 -6.009 -5.677 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -7.681 -5.994 -6.740 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -7.650 -3.955 -4.501 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -6.558 -3.683 -5.844 1.00 0.00 H new ATOM 0 HE ARG A 76 -8.562 -3.899 -7.417 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.320 -5.128 -5.175 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.377 -3.762 -4.805 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.338 -1.427 -6.421 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.826 -1.685 -5.503 1.00 0.00 H new ATOM 1014 N LEU A 77 -6.770 -5.354 -2.130 1.00 0.00 N ATOM 1015 CA LEU A 77 -5.909 -4.349 -1.449 1.00 0.00 C ATOM 1016 C LEU A 77 -4.798 -5.057 -0.677 1.00 0.00 C ATOM 1017 O LEU A 77 -3.663 -4.628 -0.661 1.00 0.00 O ATOM 1018 CB LEU A 77 -6.844 -3.606 -0.492 1.00 0.00 C ATOM 1019 CG LEU A 77 -7.889 -2.845 -1.305 1.00 0.00 C ATOM 1020 CD1 LEU A 77 -9.028 -2.388 -0.394 1.00 0.00 C ATOM 1021 CD2 LEU A 77 -7.248 -1.623 -1.954 1.00 0.00 C ATOM 0 H LEU A 77 -7.742 -5.373 -1.821 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.428 -3.668 -2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -7.332 -4.312 0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.274 -2.915 0.129 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.284 -3.506 -2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -9.769 -1.846 -0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -9.496 -3.258 0.067 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -8.632 -1.734 0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.997 -1.083 -2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.847 -0.969 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.441 -1.942 -2.613 1.00 0.00 H new ATOM 1033 N ILE A 78 -5.123 -6.145 -0.042 1.00 0.00 N ATOM 1034 CA ILE A 78 -4.093 -6.896 0.729 1.00 0.00 C ATOM 1035 C ILE A 78 -2.995 -7.400 -0.215 1.00 0.00 C ATOM 1036 O ILE A 78 -1.818 -7.249 0.047 1.00 0.00 O ATOM 1037 CB ILE A 78 -4.846 -8.072 1.355 1.00 0.00 C ATOM 1038 CG1 ILE A 78 -5.907 -7.538 2.321 1.00 0.00 C ATOM 1039 CG2 ILE A 78 -3.864 -8.961 2.122 1.00 0.00 C ATOM 1040 CD1 ILE A 78 -6.862 -8.670 2.703 1.00 0.00 C ATOM 0 H ILE A 78 -6.059 -6.549 -0.022 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.606 -6.278 1.483 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.325 -8.655 0.569 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.431 -7.132 3.214 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.460 -6.722 1.856 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.402 -9.798 2.567 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.105 -9.340 1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.384 -8.379 2.909 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.618 -8.292 3.391 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.347 -9.055 1.806 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.302 -9.472 3.185 1.00 0.00 H new ATOM 1052 N ARG A 79 -3.373 -7.995 -1.316 1.00 0.00 N ATOM 1053 CA ARG A 79 -2.348 -8.504 -2.273 1.00 0.00 C ATOM 1054 C ARG A 79 -1.521 -7.342 -2.828 1.00 0.00 C ATOM 1055 O ARG A 79 -0.339 -7.475 -3.064 1.00 0.00 O ATOM 1056 CB ARG A 79 -3.144 -9.180 -3.389 1.00 0.00 C ATOM 1057 CG ARG A 79 -3.999 -10.303 -2.798 1.00 0.00 C ATOM 1058 CD ARG A 79 -3.111 -11.247 -1.981 1.00 0.00 C ATOM 1059 NE ARG A 79 -1.958 -11.554 -2.870 1.00 0.00 N ATOM 1060 CZ ARG A 79 -1.792 -12.765 -3.326 1.00 0.00 C ATOM 1061 NH1 ARG A 79 -2.829 -13.496 -3.630 1.00 0.00 N ATOM 1062 NH2 ARG A 79 -0.588 -13.247 -3.477 1.00 0.00 N ATOM 0 H ARG A 79 -4.342 -8.150 -1.593 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.649 -9.194 -1.800 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -3.780 -8.450 -3.890 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -2.466 -9.582 -4.142 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -4.781 -9.884 -2.165 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -4.496 -10.854 -3.596 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -2.781 -10.776 -1.055 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -3.649 -12.154 -1.704 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.298 -10.818 -3.123 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.770 -13.121 -3.511 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.699 -14.443 -3.987 1.00 0.00 H new ATOM 0 HH21 ARG A 79 0.223 -12.677 -3.238 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -0.459 -14.194 -3.834 1.00 0.00 H new ATOM 1076 N ASN A 80 -2.127 -6.204 -3.033 1.00 0.00 N ATOM 1077 CA ASN A 80 -1.355 -5.041 -3.562 1.00 0.00 C ATOM 1078 C ASN A 80 -0.345 -4.573 -2.510 1.00 0.00 C ATOM 1079 O ASN A 80 0.781 -4.235 -2.822 1.00 0.00 O ATOM 1080 CB ASN A 80 -2.397 -3.951 -3.823 1.00 0.00 C ATOM 1081 CG ASN A 80 -2.941 -4.089 -5.246 1.00 0.00 C ATOM 1082 OD1 ASN A 80 -3.166 -5.185 -5.720 1.00 0.00 O ATOM 1083 ND2 ASN A 80 -3.164 -3.015 -5.953 1.00 0.00 N ATOM 0 H ASN A 80 -3.117 -6.029 -2.859 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.797 -5.289 -4.465 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.211 -4.032 -3.103 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.949 -2.966 -3.688 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.527 -3.096 -6.903 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -2.975 -2.095 -5.556 1.00 0.00 H new ATOM 1090 N LEU A 81 -0.739 -4.556 -1.264 1.00 0.00 N ATOM 1091 CA LEU A 81 0.198 -4.116 -0.191 1.00 0.00 C ATOM 1092 C LEU A 81 1.282 -5.171 0.015 1.00 0.00 C ATOM 1093 O LEU A 81 2.393 -4.871 0.383 1.00 0.00 O ATOM 1094 CB LEU A 81 -0.663 -3.974 1.062 1.00 0.00 C ATOM 1095 CG LEU A 81 -0.497 -2.564 1.623 1.00 0.00 C ATOM 1096 CD1 LEU A 81 0.934 -2.382 2.128 1.00 0.00 C ATOM 1097 CD2 LEU A 81 -0.777 -1.547 0.517 1.00 0.00 C ATOM 0 H LEU A 81 -1.669 -4.828 -0.944 1.00 0.00 H new ATOM 0 HA LEU A 81 0.702 -3.182 -0.438 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.710 -4.163 0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.368 -4.713 1.807 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.195 -2.413 2.447 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.053 -1.375 2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.139 -3.111 2.912 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.632 -2.529 1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.660 -0.538 0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.075 -1.699 -0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.796 -1.678 0.152 1.00 0.00 H new ATOM 1109 N ASN A 82 0.969 -6.406 -0.238 1.00 0.00 N ATOM 1110 CA ASN A 82 1.986 -7.479 -0.083 1.00 0.00 C ATOM 1111 C ASN A 82 2.908 -7.456 -1.302 1.00 0.00 C ATOM 1112 O ASN A 82 4.074 -7.796 -1.228 1.00 0.00 O ATOM 1113 CB ASN A 82 1.183 -8.778 -0.028 1.00 0.00 C ATOM 1114 CG ASN A 82 1.003 -9.210 1.429 1.00 0.00 C ATOM 1115 OD1 ASN A 82 1.964 -9.337 2.160 1.00 0.00 O ATOM 1116 ND2 ASN A 82 -0.198 -9.444 1.883 1.00 0.00 N ATOM 0 H ASN A 82 0.049 -6.721 -0.547 1.00 0.00 H new ATOM 0 HA ASN A 82 2.608 -7.363 0.805 1.00 0.00 H new ATOM 0 HB2 ASN A 82 0.210 -8.636 -0.498 1.00 0.00 H new ATOM 0 HB3 ASN A 82 1.697 -9.559 -0.588 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.329 -9.734 2.852 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -1.005 -9.337 1.269 1.00 0.00 H new ATOM 1123 N VAL A 83 2.389 -7.028 -2.420 1.00 0.00 N ATOM 1124 CA VAL A 83 3.214 -6.943 -3.655 1.00 0.00 C ATOM 1125 C VAL A 83 4.222 -5.805 -3.491 1.00 0.00 C ATOM 1126 O VAL A 83 5.407 -5.964 -3.721 1.00 0.00 O ATOM 1127 CB VAL A 83 2.202 -6.643 -4.767 1.00 0.00 C ATOM 1128 CG1 VAL A 83 2.883 -5.921 -5.930 1.00 0.00 C ATOM 1129 CG2 VAL A 83 1.602 -7.957 -5.273 1.00 0.00 C ATOM 0 H VAL A 83 1.419 -6.731 -2.530 1.00 0.00 H new ATOM 0 HA VAL A 83 3.783 -7.847 -3.872 1.00 0.00 H new ATOM 0 HB VAL A 83 1.417 -6.003 -4.364 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.150 -5.716 -6.710 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.309 -4.982 -5.576 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.677 -6.550 -6.334 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.882 -7.747 -6.064 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.396 -8.593 -5.665 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.100 -8.468 -4.451 1.00 0.00 H new ATOM 1139 N ILE A 84 3.760 -4.665 -3.055 1.00 0.00 N ATOM 1140 CA ILE A 84 4.684 -3.526 -2.832 1.00 0.00 C ATOM 1141 C ILE A 84 5.639 -3.903 -1.708 1.00 0.00 C ATOM 1142 O ILE A 84 6.835 -3.878 -1.864 1.00 0.00 O ATOM 1143 CB ILE A 84 3.775 -2.363 -2.424 1.00 0.00 C ATOM 1144 CG1 ILE A 84 2.993 -1.883 -3.648 1.00 0.00 C ATOM 1145 CG2 ILE A 84 4.612 -1.208 -1.871 1.00 0.00 C ATOM 1146 CD1 ILE A 84 1.689 -1.228 -3.192 1.00 0.00 C ATOM 0 H ILE A 84 2.780 -4.477 -2.844 1.00 0.00 H new ATOM 0 HA ILE A 84 5.285 -3.265 -3.703 1.00 0.00 H new ATOM 0 HB ILE A 84 3.085 -2.702 -1.651 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.590 -1.172 -4.219 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.779 -2.723 -4.309 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.955 -0.387 -1.584 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.170 -1.548 -0.998 1.00 0.00 H new ATOM 0 HG23 ILE A 84 5.309 -0.865 -2.636 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.130 -0.885 -4.063 1.00 0.00 H new ATOM 0 HD12 ILE A 84 1.091 -1.953 -2.640 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.915 -0.378 -2.548 1.00 0.00 H new ATOM 1158 N LEU A 85 5.109 -4.289 -0.585 1.00 0.00 N ATOM 1159 CA LEU A 85 5.977 -4.702 0.548 1.00 0.00 C ATOM 1160 C LEU A 85 6.887 -5.842 0.103 1.00 0.00 C ATOM 1161 O LEU A 85 7.962 -6.039 0.631 1.00 0.00 O ATOM 1162 CB LEU A 85 4.998 -5.168 1.620 1.00 0.00 C ATOM 1163 CG LEU A 85 4.188 -3.967 2.088 1.00 0.00 C ATOM 1164 CD1 LEU A 85 3.172 -4.410 3.139 1.00 0.00 C ATOM 1165 CD2 LEU A 85 5.127 -2.924 2.685 1.00 0.00 C ATOM 0 H LEU A 85 4.107 -4.337 -0.402 1.00 0.00 H new ATOM 0 HA LEU A 85 6.625 -3.904 0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.338 -5.938 1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.536 -5.612 2.458 1.00 0.00 H new ATOM 0 HG LEU A 85 3.658 -3.533 1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.594 -3.548 3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.501 -5.152 2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.695 -4.846 3.990 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.549 -2.063 3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.659 -3.356 3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.845 -2.606 1.929 1.00 0.00 H new ATOM 1177 N ALA A 86 6.465 -6.586 -0.878 1.00 0.00 N ATOM 1178 CA ALA A 86 7.313 -7.706 -1.373 1.00 0.00 C ATOM 1179 C ALA A 86 8.437 -7.142 -2.247 1.00 0.00 C ATOM 1180 O ALA A 86 9.527 -7.675 -2.303 1.00 0.00 O ATOM 1181 CB ALA A 86 6.372 -8.583 -2.199 1.00 0.00 C ATOM 0 H ALA A 86 5.573 -6.469 -1.358 1.00 0.00 H new ATOM 0 HA ALA A 86 7.780 -8.272 -0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.925 -9.433 -2.599 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.561 -8.943 -1.566 1.00 0.00 H new ATOM 0 HB3 ALA A 86 5.959 -7.999 -3.021 1.00 0.00 H new ATOM 1187 N LYS A 87 8.170 -6.060 -2.926 1.00 0.00 N ATOM 1188 CA LYS A 87 9.205 -5.434 -3.801 1.00 0.00 C ATOM 1189 C LYS A 87 10.205 -4.636 -2.964 1.00 0.00 C ATOM 1190 O LYS A 87 11.368 -4.525 -3.297 1.00 0.00 O ATOM 1191 CB LYS A 87 8.419 -4.475 -4.691 1.00 0.00 C ATOM 1192 CG LYS A 87 9.368 -3.800 -5.680 1.00 0.00 C ATOM 1193 CD LYS A 87 8.567 -2.915 -6.638 1.00 0.00 C ATOM 1194 CE LYS A 87 8.813 -3.368 -8.078 1.00 0.00 C ATOM 1195 NZ LYS A 87 7.853 -2.579 -8.899 1.00 0.00 N ATOM 0 H LYS A 87 7.271 -5.578 -2.913 1.00 0.00 H new ATOM 0 HA LYS A 87 9.770 -6.179 -4.362 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.642 -5.017 -5.229 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.919 -3.723 -4.080 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.103 -3.200 -5.143 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.921 -4.553 -6.241 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.504 -2.975 -6.403 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.861 -1.872 -6.518 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.842 -3.177 -8.382 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.641 -4.439 -8.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.961 -2.835 -9.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.881 -2.787 -8.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 8.045 -1.564 -8.778 1.00 0.00 H new ATOM 1209 N TYR A 88 9.747 -4.059 -1.892 1.00 0.00 N ATOM 1210 CA TYR A 88 10.637 -3.236 -1.030 1.00 0.00 C ATOM 1211 C TYR A 88 10.827 -3.912 0.321 1.00 0.00 C ATOM 1212 O TYR A 88 11.435 -3.362 1.218 1.00 0.00 O ATOM 1213 CB TYR A 88 9.884 -1.914 -0.847 1.00 0.00 C ATOM 1214 CG TYR A 88 9.282 -1.486 -2.161 1.00 0.00 C ATOM 1215 CD1 TYR A 88 10.111 -1.011 -3.179 1.00 0.00 C ATOM 1216 CD2 TYR A 88 7.902 -1.582 -2.366 1.00 0.00 C ATOM 1217 CE1 TYR A 88 9.566 -0.628 -4.404 1.00 0.00 C ATOM 1218 CE2 TYR A 88 7.351 -1.204 -3.596 1.00 0.00 C ATOM 1219 CZ TYR A 88 8.184 -0.724 -4.616 1.00 0.00 C ATOM 1220 OH TYR A 88 7.644 -0.348 -5.830 1.00 0.00 O ATOM 0 H TYR A 88 8.781 -4.123 -1.572 1.00 0.00 H new ATOM 0 HA TYR A 88 11.626 -3.098 -1.468 1.00 0.00 H new ATOM 0 HB2 TYR A 88 9.101 -2.031 -0.098 1.00 0.00 H new ATOM 0 HB3 TYR A 88 10.564 -1.145 -0.480 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.176 -0.940 -3.017 1.00 0.00 H new ATOM 0 HD2 TYR A 88 7.262 -1.947 -1.576 1.00 0.00 H new ATOM 0 HE1 TYR A 88 10.209 -0.258 -5.189 1.00 0.00 H new ATOM 0 HE2 TYR A 88 6.286 -1.282 -3.759 1.00 0.00 H new ATOM 0 HH TYR A 88 6.700 -0.610 -5.864 1.00 0.00 H new ATOM 1230 N GLY A 89 10.293 -5.088 0.487 1.00 0.00 N ATOM 1231 CA GLY A 89 10.431 -5.766 1.800 1.00 0.00 C ATOM 1232 C GLY A 89 10.073 -4.752 2.883 1.00 0.00 C ATOM 1233 O GLY A 89 10.586 -4.790 3.985 1.00 0.00 O ATOM 0 H GLY A 89 9.772 -5.603 -0.223 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.772 -6.633 1.854 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.449 -6.130 1.938 1.00 0.00 H new ATOM 1237 N LEU A 90 9.198 -3.833 2.566 1.00 0.00 N ATOM 1238 CA LEU A 90 8.803 -2.801 3.558 1.00 0.00 C ATOM 1239 C LEU A 90 8.210 -3.480 4.792 1.00 0.00 C ATOM 1240 O LEU A 90 8.213 -2.936 5.878 1.00 0.00 O ATOM 1241 CB LEU A 90 7.760 -1.953 2.827 1.00 0.00 C ATOM 1242 CG LEU A 90 8.438 -0.747 2.172 1.00 0.00 C ATOM 1243 CD1 LEU A 90 7.624 -0.306 0.950 1.00 0.00 C ATOM 1244 CD2 LEU A 90 8.513 0.404 3.178 1.00 0.00 C ATOM 0 H LEU A 90 8.741 -3.756 1.658 1.00 0.00 H new ATOM 0 HA LEU A 90 9.637 -2.194 3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.256 -2.554 2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.996 -1.616 3.528 1.00 0.00 H new ATOM 0 HG LEU A 90 9.445 -1.021 1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 90 8.106 0.553 0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.570 -1.126 0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.617 -0.031 1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.996 1.263 2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.506 0.679 3.492 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.091 0.090 4.047 1.00 0.00 H new