USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 794 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 67 CYS SG : rot -170:sc= 1.11 USER MOD Set 1.2: A 83 THR OG1 : rot 135:sc= 1.33 USER MOD Set 2.1: A 44 THR OG1 : rot 22:sc= 1.3 USER MOD Set 2.2: A 46 GLN : amide:sc= 0 X(o=1.3,f=1.3) USER MOD Single : A 17 GLN : amide:sc= 0.917 K(o=0.92,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -1.18 K(o=-1.2,f=-2.2!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HD1:sc= -5.9! C(o=-8.4!,f=-5.9!) USER MOD Single : A 55 HIS :FLIP no HD1:sc= -1.68 F(o=-2.3,f=-1.7) USER MOD Single : A 57 ASN : amide:sc= 0.151 K(o=0.15,f=-0.67) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 HIS :FLIP no HE2:sc= -0.21 F(o=-0.78,f=-0.21) USER MOD Single : A 95 CYS SG : rot -31:sc= -0.697 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -150:sc= -0.267 (180deg=-1.63!) USER MOD Single : A 113 ASN : amide:sc= -1.33 K(o=-1.3,f=-5.2!) USER MOD Single : A 114 SER OG : rot -72:sc= 1.06 USER MOD Single : A 115 THR OG1 : rot 85:sc= 0.38 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -0.507 6.073 9.185 1.00 0.00 N ATOM 67 CA LEU A 8 -0.997 4.806 8.651 1.00 0.00 C ATOM 68 C LEU A 8 -2.101 5.038 7.625 1.00 0.00 C ATOM 69 O LEU A 8 -2.927 5.938 7.779 1.00 0.00 O ATOM 70 CB LEU A 8 -1.516 3.919 9.784 1.00 0.00 C ATOM 71 CG LEU A 8 -2.275 2.662 9.358 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.345 1.693 8.645 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.921 1.995 10.564 1.00 0.00 C ATOM 0 HA LEU A 8 -0.166 4.303 8.156 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.668 3.617 10.399 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -2.171 4.518 10.416 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.063 2.954 8.664 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.903 0.804 8.349 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.930 2.173 7.759 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.535 1.406 9.315 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.457 1.102 10.242 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.150 1.716 11.282 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.620 2.688 11.032 1.00 0.00 H new ATOM 85 N VAL A 9 -2.111 4.219 6.578 1.00 0.00 N ATOM 86 CA VAL A 9 -3.116 4.332 5.528 1.00 0.00 C ATOM 87 C VAL A 9 -4.247 3.331 5.739 1.00 0.00 C ATOM 88 O VAL A 9 -5.412 3.711 5.852 1.00 0.00 O ATOM 89 CB VAL A 9 -2.499 4.107 4.135 1.00 0.00 C ATOM 90 CG1 VAL A 9 -3.576 4.145 3.062 1.00 0.00 C ATOM 91 CG2 VAL A 9 -1.421 5.144 3.856 1.00 0.00 C ATOM 0 H VAL A 9 -1.434 3.470 6.435 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.517 5.344 5.581 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.036 3.121 4.117 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.121 3.984 2.084 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.309 3.362 3.255 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.070 5.116 3.077 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.996 4.970 2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.858 6.142 3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.636 5.064 4.608 1.00 0.00 H new ATOM 101 N ARG A 10 -3.894 2.051 5.792 1.00 0.00 N ATOM 102 CA ARG A 10 -4.879 0.995 5.989 1.00 0.00 C ATOM 103 C ARG A 10 -4.199 -0.327 6.332 1.00 0.00 C ATOM 104 O ARG A 10 -3.084 -0.596 5.887 1.00 0.00 O ATOM 105 CB ARG A 10 -5.737 0.828 4.733 1.00 0.00 C ATOM 106 CG ARG A 10 -7.062 0.129 4.989 1.00 0.00 C ATOM 107 CD ARG A 10 -7.896 0.033 3.721 1.00 0.00 C ATOM 108 NE ARG A 10 -8.990 -0.925 3.856 1.00 0.00 N ATOM 109 CZ ARG A 10 -10.139 -0.647 4.463 1.00 0.00 C ATOM 110 NH1 ARG A 10 -10.342 0.553 4.988 1.00 0.00 N ATOM 111 NH2 ARG A 10 -11.087 -1.572 4.546 1.00 0.00 N ATOM 0 H ARG A 10 -2.933 1.720 5.701 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.519 1.282 6.823 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.931 1.810 4.303 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.174 0.261 3.991 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.877 -0.871 5.381 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.620 0.672 5.752 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.302 1.015 3.479 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.257 -0.261 2.888 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.865 -1.858 3.463 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.615 1.266 4.927 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.225 0.763 5.453 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -10.934 -2.497 4.144 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.969 -1.358 5.012 1.00 0.00 H new ATOM 125 N GLY A 11 -4.878 -1.148 7.127 1.00 0.00 N ATOM 126 CA GLY A 11 -4.323 -2.431 7.517 1.00 0.00 C ATOM 127 C GLY A 11 -5.253 -3.585 7.201 1.00 0.00 C ATOM 128 O GLY A 11 -6.149 -3.460 6.367 1.00 0.00 O ATOM 0 H GLY A 11 -5.803 -0.948 7.508 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.373 -2.583 7.005 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.111 -2.422 8.586 1.00 0.00 H new ATOM 132 N GLY A 12 -5.040 -4.715 7.869 1.00 0.00 N ATOM 133 CA GLY A 12 -5.874 -5.881 7.640 1.00 0.00 C ATOM 134 C GLY A 12 -5.062 -7.149 7.469 1.00 0.00 C ATOM 135 O GLY A 12 -4.153 -7.206 6.641 1.00 0.00 O ATOM 0 H GLY A 12 -4.305 -4.844 8.564 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.561 -6.003 8.478 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.482 -5.720 6.750 1.00 0.00 H new ATOM 139 N TRP A 13 -5.389 -8.169 8.255 1.00 0.00 N ATOM 140 CA TRP A 13 -4.681 -9.443 8.188 1.00 0.00 C ATOM 141 C TRP A 13 -4.879 -10.104 6.828 1.00 0.00 C ATOM 142 O TRP A 13 -5.999 -10.183 6.322 1.00 0.00 O ATOM 143 CB TRP A 13 -5.165 -10.377 9.298 1.00 0.00 C ATOM 144 CG TRP A 13 -4.807 -9.901 10.673 1.00 0.00 C ATOM 145 CD1 TRP A 13 -5.437 -8.926 11.394 1.00 0.00 C ATOM 146 CD2 TRP A 13 -3.733 -10.377 11.492 1.00 0.00 C ATOM 147 NE1 TRP A 13 -4.820 -8.768 12.611 1.00 0.00 N ATOM 148 CE2 TRP A 13 -3.772 -9.647 12.696 1.00 0.00 C ATOM 149 CE3 TRP A 13 -2.744 -11.350 11.327 1.00 0.00 C ATOM 150 CZ2 TRP A 13 -2.860 -9.860 13.726 1.00 0.00 C ATOM 151 CZ3 TRP A 13 -1.839 -11.560 12.350 1.00 0.00 C ATOM 152 CH2 TRP A 13 -1.902 -10.819 13.537 1.00 0.00 C ATOM 0 H TRP A 13 -6.139 -8.139 8.946 1.00 0.00 H new ATOM 0 HA TRP A 13 -3.617 -9.248 8.325 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.248 -10.482 9.228 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -4.738 -11.368 9.142 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -6.294 -8.362 11.056 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.097 -8.104 13.334 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.688 -11.928 10.416 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -2.907 -9.289 14.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -1.070 -12.309 12.232 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.181 -11.008 14.318 1.00 0.00 H new ATOM 163 N LEU A 14 -3.785 -10.578 6.242 1.00 0.00 N ATOM 164 CA LEU A 14 -3.838 -11.233 4.939 1.00 0.00 C ATOM 165 C LEU A 14 -2.966 -12.484 4.923 1.00 0.00 C ATOM 166 O LEU A 14 -1.882 -12.504 5.507 1.00 0.00 O ATOM 167 CB LEU A 14 -3.387 -10.268 3.842 1.00 0.00 C ATOM 168 CG LEU A 14 -4.286 -9.054 3.604 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.494 -7.918 2.975 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.470 -9.432 2.725 1.00 0.00 C ATOM 0 H LEU A 14 -2.851 -10.521 6.648 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.870 -11.530 4.751 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.387 -9.911 4.088 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.306 -10.824 2.908 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.667 -8.714 4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.150 -7.063 2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.680 -7.630 3.640 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.083 -8.246 2.020 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.099 -8.556 2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.108 -9.798 1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.052 -10.213 3.215 1.00 0.00 H new ATOM 182 N TRP A 15 -3.444 -13.523 4.249 1.00 0.00 N ATOM 183 CA TRP A 15 -2.706 -14.778 4.155 1.00 0.00 C ATOM 184 C TRP A 15 -1.560 -14.662 3.156 1.00 0.00 C ATOM 185 O TRP A 15 -1.782 -14.452 1.964 1.00 0.00 O ATOM 186 CB TRP A 15 -3.643 -15.915 3.745 1.00 0.00 C ATOM 187 CG TRP A 15 -4.588 -16.328 4.833 1.00 0.00 C ATOM 188 CD1 TRP A 15 -5.943 -16.158 4.849 1.00 0.00 C ATOM 189 CD2 TRP A 15 -4.248 -16.977 6.062 1.00 0.00 C ATOM 190 NE1 TRP A 15 -6.466 -16.662 6.015 1.00 0.00 N ATOM 191 CE2 TRP A 15 -5.447 -17.172 6.776 1.00 0.00 C ATOM 192 CE3 TRP A 15 -3.048 -17.415 6.629 1.00 0.00 C ATOM 193 CZ2 TRP A 15 -5.478 -17.783 8.026 1.00 0.00 C ATOM 194 CZ3 TRP A 15 -3.081 -18.022 7.870 1.00 0.00 C ATOM 195 CH2 TRP A 15 -4.288 -18.203 8.558 1.00 0.00 C ATOM 0 H TRP A 15 -4.339 -13.522 3.759 1.00 0.00 H new ATOM 0 HA TRP A 15 -2.287 -14.998 5.137 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -4.218 -15.605 2.872 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -3.047 -16.777 3.445 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -6.519 -15.695 4.061 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.453 -16.657 6.273 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -2.112 -17.282 6.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.408 -17.921 8.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.159 -18.363 8.318 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.280 -18.683 9.526 1.00 0.00 H new ATOM 206 N ARG A 16 -0.334 -14.799 3.650 1.00 0.00 N ATOM 207 CA ARG A 16 0.847 -14.708 2.800 1.00 0.00 C ATOM 208 C ARG A 16 1.507 -16.075 2.639 1.00 0.00 C ATOM 209 O ARG A 16 1.685 -16.807 3.612 1.00 0.00 O ATOM 210 CB ARG A 16 1.849 -13.712 3.387 1.00 0.00 C ATOM 211 CG ARG A 16 3.164 -13.651 2.626 1.00 0.00 C ATOM 212 CD ARG A 16 3.881 -12.331 2.861 1.00 0.00 C ATOM 213 NE ARG A 16 5.332 -12.474 2.775 1.00 0.00 N ATOM 214 CZ ARG A 16 5.988 -12.646 1.633 1.00 0.00 C ATOM 215 NH1 ARG A 16 5.325 -12.695 0.486 1.00 0.00 N ATOM 216 NH2 ARG A 16 7.309 -12.768 1.637 1.00 0.00 N ATOM 0 H ARG A 16 -0.133 -14.973 4.635 1.00 0.00 H new ATOM 0 HA ARG A 16 0.531 -14.358 1.817 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.398 -12.720 3.397 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.051 -13.981 4.424 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.805 -14.475 2.938 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.975 -13.780 1.560 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.545 -11.600 2.126 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.613 -11.942 3.843 1.00 0.00 H new ATOM 0 HE ARG A 16 5.871 -12.440 3.640 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.309 -12.601 0.480 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.831 -12.827 -0.390 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.822 -12.730 2.518 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.812 -12.900 0.759 1.00 0.00 H new ATOM 230 N GLN A 17 1.868 -16.410 1.404 1.00 0.00 N ATOM 231 CA GLN A 17 2.507 -17.688 1.116 1.00 0.00 C ATOM 232 C GLN A 17 4.011 -17.610 1.351 1.00 0.00 C ATOM 233 O GLN A 17 4.581 -16.522 1.435 1.00 0.00 O ATOM 234 CB GLN A 17 2.226 -18.109 -0.328 1.00 0.00 C ATOM 235 CG GLN A 17 2.185 -19.616 -0.526 1.00 0.00 C ATOM 236 CD GLN A 17 1.799 -20.009 -1.938 1.00 0.00 C ATOM 237 OE1 GLN A 17 2.645 -20.415 -2.735 1.00 0.00 O ATOM 238 NE2 GLN A 17 0.515 -19.890 -2.256 1.00 0.00 N ATOM 0 H GLN A 17 1.729 -15.814 0.588 1.00 0.00 H new ATOM 0 HA GLN A 17 2.090 -18.434 1.793 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.273 -17.684 -0.643 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.993 -17.687 -0.977 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.163 -20.036 -0.291 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.474 -20.052 0.176 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.152 -19.549 -1.564 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.196 -20.140 -3.192 1.00 0.00 H new ATOM 331 N ARG A 23 3.531 -22.422 2.457 1.00 0.00 N ATOM 332 CA ARG A 23 2.290 -22.434 3.223 1.00 0.00 C ATOM 333 C ARG A 23 1.828 -21.013 3.530 1.00 0.00 C ATOM 334 O ARG A 23 2.641 -20.094 3.637 1.00 0.00 O ATOM 335 CB ARG A 23 2.477 -23.214 4.525 1.00 0.00 C ATOM 336 CG ARG A 23 1.170 -23.658 5.162 1.00 0.00 C ATOM 337 CD ARG A 23 1.344 -24.947 5.950 1.00 0.00 C ATOM 338 NE ARG A 23 0.110 -25.351 6.618 1.00 0.00 N ATOM 339 CZ ARG A 23 -0.265 -24.894 7.808 1.00 0.00 C ATOM 340 NH1 ARG A 23 0.495 -24.022 8.456 1.00 0.00 N ATOM 341 NH2 ARG A 23 -1.402 -25.309 8.351 1.00 0.00 N ATOM 0 HA ARG A 23 1.525 -22.924 2.621 1.00 0.00 H new ATOM 0 HB2 ARG A 23 3.092 -24.092 4.328 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.025 -22.594 5.235 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.801 -22.873 5.823 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.417 -23.803 4.387 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.669 -25.741 5.278 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.131 -24.815 6.692 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.497 -26.021 6.145 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.370 -23.701 8.041 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.205 -23.673 9.369 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.989 -25.979 7.855 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.689 -24.958 9.265 1.00 0.00 H new ATOM 355 N TRP A 24 0.519 -20.840 3.670 1.00 0.00 N ATOM 356 CA TRP A 24 -0.052 -19.530 3.965 1.00 0.00 C ATOM 357 C TRP A 24 0.138 -19.172 5.434 1.00 0.00 C ATOM 358 O TRP A 24 -0.007 -20.020 6.315 1.00 0.00 O ATOM 359 CB TRP A 24 -1.539 -19.507 3.609 1.00 0.00 C ATOM 360 CG TRP A 24 -1.803 -19.686 2.144 1.00 0.00 C ATOM 361 CD1 TRP A 24 -2.070 -20.858 1.497 1.00 0.00 C ATOM 362 CD2 TRP A 24 -1.822 -18.660 1.146 1.00 0.00 C ATOM 363 NE1 TRP A 24 -2.254 -20.623 0.156 1.00 0.00 N ATOM 364 CE2 TRP A 24 -2.108 -19.283 -0.085 1.00 0.00 C ATOM 365 CE3 TRP A 24 -1.628 -17.277 1.171 1.00 0.00 C ATOM 366 CZ2 TRP A 24 -2.203 -18.568 -1.276 1.00 0.00 C ATOM 367 CZ3 TRP A 24 -1.722 -16.569 -0.011 1.00 0.00 C ATOM 368 CH2 TRP A 24 -2.008 -17.215 -1.222 1.00 0.00 C ATOM 0 H TRP A 24 -0.167 -21.590 3.584 1.00 0.00 H new ATOM 0 HA TRP A 24 0.470 -18.789 3.360 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -2.050 -20.296 4.162 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -1.969 -18.560 3.935 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -2.128 -21.827 1.970 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -2.465 -21.332 -0.546 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -1.408 -16.770 2.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.423 -19.064 -2.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.573 -15.499 -0.002 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -2.076 -16.633 -2.130 1.00 0.00 H new ATOM 379 N LYS A 25 0.461 -17.909 5.694 1.00 0.00 N ATOM 380 CA LYS A 25 0.669 -17.438 7.058 1.00 0.00 C ATOM 381 C LYS A 25 -0.007 -16.088 7.276 1.00 0.00 C ATOM 382 O LYS A 25 -0.023 -15.240 6.383 1.00 0.00 O ATOM 383 CB LYS A 25 2.166 -17.325 7.358 1.00 0.00 C ATOM 384 CG LYS A 25 2.847 -16.179 6.631 1.00 0.00 C ATOM 385 CD LYS A 25 4.353 -16.373 6.572 1.00 0.00 C ATOM 386 CE LYS A 25 4.954 -15.706 5.345 1.00 0.00 C ATOM 387 NZ LYS A 25 6.414 -15.972 5.227 1.00 0.00 N ATOM 0 H LYS A 25 0.584 -17.194 4.978 1.00 0.00 H new ATOM 0 HA LYS A 25 0.222 -18.163 7.738 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.304 -17.196 8.432 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.655 -18.260 7.083 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.449 -16.101 5.619 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.620 -15.240 7.136 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.809 -15.960 7.472 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.583 -17.438 6.558 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.446 -16.066 4.451 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.784 -14.631 5.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.785 -15.500 4.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.903 -15.605 6.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.575 -16.997 5.152 1.00 0.00 H new ATOM 401 N ARG A 26 -0.561 -15.894 8.468 1.00 0.00 N ATOM 402 CA ARG A 26 -1.238 -14.647 8.802 1.00 0.00 C ATOM 403 C ARG A 26 -0.228 -13.528 9.043 1.00 0.00 C ATOM 404 O ARG A 26 0.692 -13.671 9.847 1.00 0.00 O ATOM 405 CB ARG A 26 -2.114 -14.833 10.042 1.00 0.00 C ATOM 406 CG ARG A 26 -3.534 -15.271 9.725 1.00 0.00 C ATOM 407 CD ARG A 26 -4.178 -15.975 10.908 1.00 0.00 C ATOM 408 NE ARG A 26 -4.822 -15.035 11.821 1.00 0.00 N ATOM 409 CZ ARG A 26 -4.182 -14.405 12.800 1.00 0.00 C ATOM 410 NH1 ARG A 26 -2.887 -14.615 12.992 1.00 0.00 N ATOM 411 NH2 ARG A 26 -4.838 -13.564 13.589 1.00 0.00 N ATOM 0 H ARG A 26 -0.554 -16.585 9.219 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.869 -14.369 7.958 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.652 -15.573 10.695 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.147 -13.895 10.597 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.131 -14.402 9.449 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.526 -15.939 8.863 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.916 -16.691 10.546 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.420 -16.543 11.448 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.818 -14.852 11.701 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.380 -15.261 12.387 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -2.398 -14.130 13.744 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -5.834 -13.401 13.444 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -4.346 -13.081 14.340 1.00 0.00 H new ATOM 425 N ASN A 27 -0.407 -12.415 8.340 1.00 0.00 N ATOM 426 CA ASN A 27 0.489 -11.272 8.476 1.00 0.00 C ATOM 427 C ASN A 27 -0.285 -9.960 8.380 1.00 0.00 C ATOM 428 O ASN A 27 -1.089 -9.767 7.469 1.00 0.00 O ATOM 429 CB ASN A 27 1.574 -11.317 7.399 1.00 0.00 C ATOM 430 CG ASN A 27 2.805 -12.080 7.850 1.00 0.00 C ATOM 431 OD1 ASN A 27 3.169 -13.097 7.260 1.00 0.00 O ATOM 432 ND2 ASN A 27 3.452 -11.590 8.901 1.00 0.00 N ATOM 0 H ASN A 27 -1.164 -12.280 7.670 1.00 0.00 H new ATOM 0 HA ASN A 27 0.959 -11.325 9.458 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.170 -11.783 6.500 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.858 -10.300 7.131 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.287 -12.060 9.250 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.114 -10.744 9.359 1.00 0.00 H new ATOM 439 N TRP A 28 -0.034 -9.062 9.326 1.00 0.00 N ATOM 440 CA TRP A 28 -0.707 -7.768 9.348 1.00 0.00 C ATOM 441 C TRP A 28 0.094 -6.726 8.575 1.00 0.00 C ATOM 442 O TRP A 28 1.113 -6.229 9.057 1.00 0.00 O ATOM 443 CB TRP A 28 -0.915 -7.303 10.790 1.00 0.00 C ATOM 444 CG TRP A 28 -1.286 -5.855 10.900 1.00 0.00 C ATOM 445 CD1 TRP A 28 -0.433 -4.801 11.064 1.00 0.00 C ATOM 446 CD2 TRP A 28 -2.606 -5.303 10.854 1.00 0.00 C ATOM 447 NE1 TRP A 28 -1.144 -3.626 11.124 1.00 0.00 N ATOM 448 CE2 TRP A 28 -2.479 -3.907 10.997 1.00 0.00 C ATOM 449 CE3 TRP A 28 -3.883 -5.851 10.705 1.00 0.00 C ATOM 450 CZ2 TRP A 28 -3.580 -3.055 10.995 1.00 0.00 C ATOM 451 CZ3 TRP A 28 -4.975 -5.004 10.704 1.00 0.00 C ATOM 452 CH2 TRP A 28 -4.818 -3.619 10.848 1.00 0.00 C ATOM 0 H TRP A 28 0.630 -9.206 10.087 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.679 -7.883 8.867 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.697 -7.907 11.250 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.001 -7.480 11.357 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.642 -4.879 11.136 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.743 -2.696 11.244 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -4.014 -6.917 10.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.461 -1.987 11.106 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -5.967 -5.417 10.590 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.692 -2.984 10.843 1.00 0.00 H new ATOM 463 N PHE A 29 -0.373 -6.398 7.375 1.00 0.00 N ATOM 464 CA PHE A 29 0.301 -5.415 6.535 1.00 0.00 C ATOM 465 C PHE A 29 -0.236 -4.012 6.803 1.00 0.00 C ATOM 466 O PHE A 29 -1.438 -3.819 6.980 1.00 0.00 O ATOM 467 CB PHE A 29 0.124 -5.767 5.057 1.00 0.00 C ATOM 468 CG PHE A 29 0.926 -6.961 4.625 1.00 0.00 C ATOM 469 CD1 PHE A 29 0.600 -8.231 5.074 1.00 0.00 C ATOM 470 CD2 PHE A 29 2.007 -6.814 3.771 1.00 0.00 C ATOM 471 CE1 PHE A 29 1.336 -9.332 4.678 1.00 0.00 C ATOM 472 CE2 PHE A 29 2.746 -7.911 3.371 1.00 0.00 C ATOM 473 CZ PHE A 29 2.411 -9.172 3.826 1.00 0.00 C ATOM 0 H PHE A 29 -1.215 -6.799 6.962 1.00 0.00 H new ATOM 0 HA PHE A 29 1.363 -5.432 6.780 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.931 -5.958 4.861 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.411 -4.908 4.450 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.239 -8.362 5.741 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.275 -5.831 3.414 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.071 -10.316 5.035 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.585 -7.783 2.703 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.988 -10.030 3.516 1.00 0.00 H new ATOM 483 N ALA A 30 0.665 -3.035 6.832 1.00 0.00 N ATOM 484 CA ALA A 30 0.283 -1.650 7.076 1.00 0.00 C ATOM 485 C ALA A 30 1.087 -0.696 6.200 1.00 0.00 C ATOM 486 O ALA A 30 2.319 -0.720 6.206 1.00 0.00 O ATOM 487 CB ALA A 30 0.468 -1.303 8.546 1.00 0.00 C ATOM 0 H ALA A 30 1.665 -3.178 6.689 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.770 -1.538 6.817 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.179 -0.266 8.714 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.156 -1.957 9.155 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.514 -1.438 8.823 1.00 0.00 H new ATOM 493 N LEU A 31 0.385 0.143 5.448 1.00 0.00 N ATOM 494 CA LEU A 31 1.034 1.107 4.565 1.00 0.00 C ATOM 495 C LEU A 31 1.250 2.438 5.277 1.00 0.00 C ATOM 496 O LEU A 31 0.350 2.951 5.941 1.00 0.00 O ATOM 497 CB LEU A 31 0.193 1.320 3.304 1.00 0.00 C ATOM 498 CG LEU A 31 0.608 2.489 2.411 1.00 0.00 C ATOM 499 CD1 LEU A 31 1.884 2.155 1.652 1.00 0.00 C ATOM 500 CD2 LEU A 31 -0.511 2.845 1.444 1.00 0.00 C ATOM 0 H LEU A 31 -0.634 0.176 5.431 1.00 0.00 H new ATOM 0 HA LEU A 31 2.007 0.706 4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.226 0.406 2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.844 1.468 3.604 1.00 0.00 H new ATOM 0 HG LEU A 31 0.802 3.354 3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.164 2.999 1.022 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.686 1.950 2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.717 1.276 1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.198 3.679 0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.737 1.983 0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.401 3.128 2.006 1.00 0.00 H new ATOM 512 N TRP A 32 2.448 2.993 5.131 1.00 0.00 N ATOM 513 CA TRP A 32 2.782 4.266 5.758 1.00 0.00 C ATOM 514 C TRP A 32 2.736 5.402 4.742 1.00 0.00 C ATOM 515 O TRP A 32 2.934 5.187 3.546 1.00 0.00 O ATOM 516 CB TRP A 32 4.169 4.194 6.399 1.00 0.00 C ATOM 517 CG TRP A 32 4.317 3.063 7.371 1.00 0.00 C ATOM 518 CD1 TRP A 32 5.053 1.925 7.198 1.00 0.00 C ATOM 519 CD2 TRP A 32 3.712 2.960 8.664 1.00 0.00 C ATOM 520 NE1 TRP A 32 4.942 1.121 8.307 1.00 0.00 N ATOM 521 CE2 TRP A 32 4.126 1.734 9.221 1.00 0.00 C ATOM 522 CE3 TRP A 32 2.864 3.785 9.407 1.00 0.00 C ATOM 523 CZ2 TRP A 32 3.717 1.315 10.485 1.00 0.00 C ATOM 524 CZ3 TRP A 32 2.459 3.368 10.661 1.00 0.00 C ATOM 525 CH2 TRP A 32 2.886 2.143 11.190 1.00 0.00 C ATOM 0 H TRP A 32 3.204 2.581 4.584 1.00 0.00 H new ATOM 0 HA TRP A 32 2.042 4.466 6.533 1.00 0.00 H new ATOM 0 HB2 TRP A 32 4.919 4.090 5.615 1.00 0.00 H new ATOM 0 HB3 TRP A 32 4.373 5.134 6.912 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.636 1.692 6.319 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.394 0.215 8.430 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.531 4.732 9.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 4.044 0.370 10.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 1.802 3.997 11.243 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.553 1.846 12.174 1.00 0.00 H new ATOM 536 N LEU A 33 2.473 6.612 5.225 1.00 0.00 N ATOM 537 CA LEU A 33 2.401 7.783 4.358 1.00 0.00 C ATOM 538 C LEU A 33 3.740 8.037 3.674 1.00 0.00 C ATOM 539 O LEU A 33 3.788 8.496 2.533 1.00 0.00 O ATOM 540 CB LEU A 33 1.986 9.014 5.165 1.00 0.00 C ATOM 541 CG LEU A 33 0.671 8.899 5.938 1.00 0.00 C ATOM 542 CD1 LEU A 33 -0.029 10.247 6.005 1.00 0.00 C ATOM 543 CD2 LEU A 33 -0.235 7.857 5.296 1.00 0.00 C ATOM 0 H LEU A 33 2.306 6.807 6.212 1.00 0.00 H new ATOM 0 HA LEU A 33 1.652 7.590 3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.782 9.244 5.874 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.911 9.862 4.484 1.00 0.00 H new ATOM 0 HG LEU A 33 0.897 8.579 6.955 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.962 10.145 6.559 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.615 10.967 6.509 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.243 10.597 4.995 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.166 7.788 5.859 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.453 8.148 4.268 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.264 6.888 5.301 1.00 0.00 H new ATOM 555 N ASP A 34 4.825 7.733 4.378 1.00 0.00 N ATOM 556 CA ASP A 34 6.166 7.925 3.837 1.00 0.00 C ATOM 557 C ASP A 34 6.309 7.238 2.482 1.00 0.00 C ATOM 558 O ASP A 34 7.176 7.592 1.684 1.00 0.00 O ATOM 559 CB ASP A 34 7.214 7.383 4.810 1.00 0.00 C ATOM 560 CG ASP A 34 6.967 7.835 6.237 1.00 0.00 C ATOM 561 OD1 ASP A 34 6.588 9.009 6.431 1.00 0.00 O ATOM 562 OD2 ASP A 34 7.152 7.013 7.159 1.00 0.00 O ATOM 0 H ASP A 34 4.802 7.353 5.324 1.00 0.00 H new ATOM 0 HA ASP A 34 6.326 8.995 3.701 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.213 6.294 4.771 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.204 7.712 4.494 1.00 0.00 H new ATOM 567 N GLY A 35 5.452 6.253 2.230 1.00 0.00 N ATOM 568 CA GLY A 35 5.501 5.531 0.972 1.00 0.00 C ATOM 569 C GLY A 35 6.194 4.189 1.100 1.00 0.00 C ATOM 570 O GLY A 35 6.937 3.778 0.208 1.00 0.00 O ATOM 0 H GLY A 35 4.725 5.942 2.874 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.486 5.379 0.604 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.022 6.136 0.230 1.00 0.00 H new ATOM 574 N THR A 36 5.954 3.504 2.213 1.00 0.00 N ATOM 575 CA THR A 36 6.563 2.203 2.457 1.00 0.00 C ATOM 576 C THR A 36 5.525 1.189 2.925 1.00 0.00 C ATOM 577 O THR A 36 4.460 1.559 3.420 1.00 0.00 O ATOM 578 CB THR A 36 7.685 2.295 3.508 1.00 0.00 C ATOM 579 OG1 THR A 36 7.202 2.955 4.683 1.00 0.00 O ATOM 580 CG2 THR A 36 8.885 3.048 2.954 1.00 0.00 C ATOM 0 H THR A 36 5.341 3.829 2.961 1.00 0.00 H new ATOM 0 HA THR A 36 6.990 1.872 1.510 1.00 0.00 H new ATOM 0 HB THR A 36 7.998 1.283 3.763 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.921 3.008 5.347 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.664 3.100 3.714 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.268 2.527 2.077 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.583 4.057 2.674 1.00 0.00 H new ATOM 588 N LEU A 37 5.842 -0.091 2.766 1.00 0.00 N ATOM 589 CA LEU A 37 4.936 -1.160 3.174 1.00 0.00 C ATOM 590 C LEU A 37 5.644 -2.154 4.089 1.00 0.00 C ATOM 591 O LEU A 37 6.613 -2.798 3.691 1.00 0.00 O ATOM 592 CB LEU A 37 4.384 -1.884 1.945 1.00 0.00 C ATOM 593 CG LEU A 37 3.088 -2.667 2.153 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.926 -1.719 2.407 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.802 -3.555 0.951 1.00 0.00 C ATOM 0 H LEU A 37 6.719 -0.414 2.358 1.00 0.00 H new ATOM 0 HA LEU A 37 4.110 -0.712 3.726 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.218 -1.148 1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.146 -2.573 1.581 1.00 0.00 H new ATOM 0 HG LEU A 37 3.208 -3.304 3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.012 -2.295 2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.128 -1.127 3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.804 -1.055 1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.876 -4.105 1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.703 -2.938 0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.623 -4.259 0.816 1.00 0.00 H new ATOM 607 N GLY A 38 5.150 -2.274 5.318 1.00 0.00 N ATOM 608 CA GLY A 38 5.747 -3.194 6.269 1.00 0.00 C ATOM 609 C GLY A 38 4.724 -4.113 6.907 1.00 0.00 C ATOM 610 O GLY A 38 3.633 -3.677 7.278 1.00 0.00 O ATOM 0 H GLY A 38 4.348 -1.751 5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.504 -3.793 5.764 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.257 -2.627 7.048 1.00 0.00 H new ATOM 614 N TYR A 39 5.074 -5.388 7.032 1.00 0.00 N ATOM 615 CA TYR A 39 4.176 -6.372 7.625 1.00 0.00 C ATOM 616 C TYR A 39 4.813 -7.023 8.849 1.00 0.00 C ATOM 617 O TYR A 39 5.841 -7.692 8.746 1.00 0.00 O ATOM 618 CB TYR A 39 3.809 -7.443 6.597 1.00 0.00 C ATOM 619 CG TYR A 39 5.007 -8.062 5.913 1.00 0.00 C ATOM 620 CD1 TYR A 39 5.646 -9.170 6.455 1.00 0.00 C ATOM 621 CD2 TYR A 39 5.499 -7.538 4.723 1.00 0.00 C ATOM 622 CE1 TYR A 39 6.742 -9.737 5.833 1.00 0.00 C ATOM 623 CE2 TYR A 39 6.593 -8.100 4.094 1.00 0.00 C ATOM 624 CZ TYR A 39 7.211 -9.199 4.653 1.00 0.00 C ATOM 625 OH TYR A 39 8.301 -9.763 4.030 1.00 0.00 O ATOM 0 H TYR A 39 5.973 -5.765 6.731 1.00 0.00 H new ATOM 0 HA TYR A 39 3.270 -5.855 7.941 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.238 -8.229 7.091 1.00 0.00 H new ATOM 0 HB3 TYR A 39 3.158 -7.002 5.842 1.00 0.00 H new ATOM 0 HD1 TYR A 39 5.280 -9.595 7.378 1.00 0.00 H new ATOM 0 HD2 TYR A 39 5.018 -6.677 4.283 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.229 -10.597 6.269 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.962 -7.681 3.170 1.00 0.00 H new ATOM 0 HH TYR A 39 8.503 -9.266 3.210 1.00 0.00 H new ATOM 635 N TYR A 40 4.194 -6.823 10.007 1.00 0.00 N ATOM 636 CA TYR A 40 4.700 -7.388 11.252 1.00 0.00 C ATOM 637 C TYR A 40 3.952 -8.668 11.613 1.00 0.00 C ATOM 638 O TYR A 40 2.977 -9.037 10.957 1.00 0.00 O ATOM 639 CB TYR A 40 4.571 -6.372 12.388 1.00 0.00 C ATOM 640 CG TYR A 40 5.257 -5.055 12.103 1.00 0.00 C ATOM 641 CD1 TYR A 40 4.818 -4.228 11.077 1.00 0.00 C ATOM 642 CD2 TYR A 40 6.346 -4.639 12.860 1.00 0.00 C ATOM 643 CE1 TYR A 40 5.443 -3.024 10.813 1.00 0.00 C ATOM 644 CE2 TYR A 40 6.976 -3.437 12.604 1.00 0.00 C ATOM 645 CZ TYR A 40 6.521 -2.633 11.579 1.00 0.00 C ATOM 646 OH TYR A 40 7.147 -1.435 11.320 1.00 0.00 O ATOM 0 H TYR A 40 3.341 -6.274 10.109 1.00 0.00 H new ATOM 0 HA TYR A 40 5.753 -7.631 11.109 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.514 -6.187 12.581 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.991 -6.801 13.298 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.974 -4.531 10.475 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.706 -5.266 13.662 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.089 -2.393 10.011 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.820 -3.128 13.203 1.00 0.00 H new ATOM 0 HH TYR A 40 7.887 -1.309 11.951 1.00 0.00 H new ATOM 656 N HIS A 41 4.416 -9.342 12.661 1.00 0.00 N ATOM 657 CA HIS A 41 3.792 -10.580 13.111 1.00 0.00 C ATOM 658 C HIS A 41 2.320 -10.357 13.444 1.00 0.00 C ATOM 659 O HIS A 41 1.469 -11.189 13.128 1.00 0.00 O ATOM 660 CB HIS A 41 4.526 -11.131 14.334 1.00 0.00 C ATOM 661 CG HIS A 41 4.431 -10.245 15.538 1.00 0.00 C ATOM 662 ND1 HIS A 41 4.531 -8.901 15.658 1.00 0.00 N flip ATOM 663 CD2 HIS A 41 4.210 -10.727 16.811 1.00 0.00 C flip ATOM 664 CE1 HIS A 41 4.369 -8.597 16.988 1.00 0.00 C flip ATOM 665 NE2 HIS A 41 4.176 -9.717 17.662 1.00 0.00 N flip ATOM 0 H HIS A 41 5.222 -9.051 13.214 1.00 0.00 H new ATOM 0 HA HIS A 41 3.857 -11.306 12.300 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.118 -12.111 14.581 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.576 -11.277 14.082 1.00 0.00 H new ATOM 0 HD2 HIS A 41 4.084 -11.768 17.072 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.395 -7.605 17.413 1.00 0.00 H new ATOM 0 HE2 HIS A 41 4.026 -9.789 18.668 1.00 0.00 H new ATOM 674 N ASP A 42 2.028 -9.230 14.084 1.00 0.00 N ATOM 675 CA ASP A 42 0.659 -8.897 14.460 1.00 0.00 C ATOM 676 C ASP A 42 0.411 -7.397 14.338 1.00 0.00 C ATOM 677 O ASP A 42 1.313 -6.636 13.989 1.00 0.00 O ATOM 678 CB ASP A 42 0.373 -9.359 15.889 1.00 0.00 C ATOM 679 CG ASP A 42 1.396 -8.842 16.881 1.00 0.00 C ATOM 680 OD1 ASP A 42 1.997 -7.781 16.612 1.00 0.00 O ATOM 681 OD2 ASP A 42 1.596 -9.498 17.924 1.00 0.00 O ATOM 0 H ASP A 42 2.721 -8.532 14.353 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.015 -9.415 13.777 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.620 -9.020 16.185 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.360 -10.448 15.920 1.00 0.00 H new ATOM 686 N GLU A 43 -0.818 -6.979 14.627 1.00 0.00 N ATOM 687 CA GLU A 43 -1.183 -5.570 14.547 1.00 0.00 C ATOM 688 C GLU A 43 -0.109 -4.693 15.183 1.00 0.00 C ATOM 689 O GLU A 43 0.383 -3.747 14.566 1.00 0.00 O ATOM 690 CB GLU A 43 -2.527 -5.329 15.237 1.00 0.00 C ATOM 691 CG GLU A 43 -3.308 -4.162 14.658 1.00 0.00 C ATOM 692 CD GLU A 43 -4.797 -4.263 14.930 1.00 0.00 C ATOM 693 OE1 GLU A 43 -5.293 -5.397 15.095 1.00 0.00 O ATOM 694 OE2 GLU A 43 -5.465 -3.209 14.978 1.00 0.00 O ATOM 0 H GLU A 43 -1.576 -7.596 14.918 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.270 -5.303 13.494 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.132 -6.233 15.162 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.354 -5.149 16.298 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.928 -3.231 15.079 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.141 -4.117 13.582 1.00 0.00 H new ATOM 701 N THR A 44 0.252 -5.012 16.422 1.00 0.00 N ATOM 702 CA THR A 44 1.266 -4.253 17.143 1.00 0.00 C ATOM 703 C THR A 44 2.633 -4.398 16.483 1.00 0.00 C ATOM 704 O THR A 44 3.372 -5.340 16.766 1.00 0.00 O ATOM 705 CB THR A 44 1.367 -4.705 18.612 1.00 0.00 C ATOM 706 OG1 THR A 44 1.477 -6.131 18.680 1.00 0.00 O ATOM 707 CG2 THR A 44 0.152 -4.247 19.404 1.00 0.00 C ATOM 0 H THR A 44 -0.143 -5.792 16.947 1.00 0.00 H new ATOM 0 HA THR A 44 0.960 -3.207 17.113 1.00 0.00 H new ATOM 0 HB THR A 44 2.257 -4.251 19.048 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.809 -6.475 17.824 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.246 -4.578 20.438 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.088 -3.159 19.375 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.750 -4.675 18.967 1.00 0.00 H new ATOM 715 N ALA A 45 2.963 -3.457 15.604 1.00 0.00 N ATOM 716 CA ALA A 45 4.242 -3.479 14.907 1.00 0.00 C ATOM 717 C ALA A 45 5.405 -3.492 15.893 1.00 0.00 C ATOM 718 O ALA A 45 5.829 -2.445 16.381 1.00 0.00 O ATOM 719 CB ALA A 45 4.354 -2.283 13.972 1.00 0.00 C ATOM 0 H ALA A 45 2.362 -2.670 15.358 1.00 0.00 H new ATOM 0 HA ALA A 45 4.290 -4.394 14.317 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.315 -2.312 13.458 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.548 -2.318 13.239 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.279 -1.362 14.549 1.00 0.00 H new ATOM 725 N GLN A 46 5.916 -4.685 16.183 1.00 0.00 N ATOM 726 CA GLN A 46 7.029 -4.834 17.113 1.00 0.00 C ATOM 727 C GLN A 46 8.194 -5.565 16.454 1.00 0.00 C ATOM 728 O GLN A 46 9.351 -5.172 16.606 1.00 0.00 O ATOM 729 CB GLN A 46 6.578 -5.589 18.364 1.00 0.00 C ATOM 730 CG GLN A 46 5.644 -4.788 19.256 1.00 0.00 C ATOM 731 CD GLN A 46 5.534 -5.364 20.653 1.00 0.00 C ATOM 732 OE1 GLN A 46 6.479 -5.297 21.441 1.00 0.00 O ATOM 733 NE2 GLN A 46 4.378 -5.934 20.970 1.00 0.00 N ATOM 0 H GLN A 46 5.577 -5.562 15.787 1.00 0.00 H new ATOM 0 HA GLN A 46 7.366 -3.838 17.401 1.00 0.00 H new ATOM 0 HB2 GLN A 46 6.078 -6.509 18.062 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.457 -5.878 18.940 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.000 -3.760 19.318 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.654 -4.755 18.802 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.622 -5.968 20.287 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.246 -6.338 21.897 1.00 0.00 H new ATOM 742 N ASP A 47 7.881 -6.629 15.724 1.00 0.00 N ATOM 743 CA ASP A 47 8.903 -7.415 15.041 1.00 0.00 C ATOM 744 C ASP A 47 8.958 -7.063 13.558 1.00 0.00 C ATOM 745 O ASP A 47 8.346 -7.734 12.728 1.00 0.00 O ATOM 746 CB ASP A 47 8.626 -8.910 15.214 1.00 0.00 C ATOM 747 CG ASP A 47 9.715 -9.774 14.610 1.00 0.00 C ATOM 748 OD1 ASP A 47 10.338 -9.337 13.620 1.00 0.00 O ATOM 749 OD2 ASP A 47 9.945 -10.887 15.127 1.00 0.00 O ATOM 0 H ASP A 47 6.928 -6.968 15.589 1.00 0.00 H new ATOM 0 HA ASP A 47 9.869 -7.178 15.488 1.00 0.00 H new ATOM 0 HB2 ASP A 47 8.532 -9.139 16.276 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.671 -9.156 14.749 1.00 0.00 H new ATOM 754 N GLU A 48 9.697 -6.006 13.233 1.00 0.00 N ATOM 755 CA GLU A 48 9.830 -5.565 11.850 1.00 0.00 C ATOM 756 C GLU A 48 10.403 -6.678 10.977 1.00 0.00 C ATOM 757 O GLU A 48 11.619 -6.832 10.869 1.00 0.00 O ATOM 758 CB GLU A 48 10.726 -4.327 11.771 1.00 0.00 C ATOM 759 CG GLU A 48 10.509 -3.498 10.516 1.00 0.00 C ATOM 760 CD GLU A 48 11.241 -2.171 10.560 1.00 0.00 C ATOM 761 OE1 GLU A 48 12.460 -2.175 10.831 1.00 0.00 O ATOM 762 OE2 GLU A 48 10.595 -1.128 10.324 1.00 0.00 O ATOM 0 H GLU A 48 10.212 -5.440 13.908 1.00 0.00 H new ATOM 0 HA GLU A 48 8.837 -5.311 11.479 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.545 -3.702 12.645 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.769 -4.640 11.813 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.845 -4.065 9.648 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.442 -3.316 10.385 1.00 0.00 H new ATOM 769 N GLU A 49 9.517 -7.450 10.356 1.00 0.00 N ATOM 770 CA GLU A 49 9.934 -8.549 9.493 1.00 0.00 C ATOM 771 C GLU A 49 10.647 -8.025 8.250 1.00 0.00 C ATOM 772 O GLU A 49 11.711 -8.519 7.877 1.00 0.00 O ATOM 773 CB GLU A 49 8.725 -9.393 9.083 1.00 0.00 C ATOM 774 CG GLU A 49 8.228 -10.319 10.181 1.00 0.00 C ATOM 775 CD GLU A 49 9.064 -11.578 10.305 1.00 0.00 C ATOM 776 OE1 GLU A 49 10.145 -11.514 10.927 1.00 0.00 O ATOM 777 OE2 GLU A 49 8.636 -12.627 9.779 1.00 0.00 O ATOM 0 H GLU A 49 8.507 -7.335 10.434 1.00 0.00 H new ATOM 0 HA GLU A 49 10.630 -9.173 10.054 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.914 -8.729 8.784 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.988 -9.988 8.209 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.237 -9.786 11.132 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.193 -10.593 9.979 1.00 0.00 H new ATOM 784 N ASP A 50 10.052 -7.022 7.614 1.00 0.00 N ATOM 785 CA ASP A 50 10.630 -6.429 6.413 1.00 0.00 C ATOM 786 C ASP A 50 9.908 -5.137 6.043 1.00 0.00 C ATOM 787 O ASP A 50 8.922 -4.762 6.678 1.00 0.00 O ATOM 788 CB ASP A 50 10.562 -7.417 5.247 1.00 0.00 C ATOM 789 CG ASP A 50 11.755 -8.352 5.211 1.00 0.00 C ATOM 790 OD1 ASP A 50 12.896 -7.854 5.099 1.00 0.00 O ATOM 791 OD2 ASP A 50 11.549 -9.580 5.295 1.00 0.00 O ATOM 0 H ASP A 50 9.170 -6.603 7.909 1.00 0.00 H new ATOM 0 HA ASP A 50 11.674 -6.194 6.620 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.646 -8.003 5.324 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.508 -6.865 4.309 1.00 0.00 H new ATOM 796 N ARG A 51 10.406 -4.461 5.013 1.00 0.00 N ATOM 797 CA ARG A 51 9.809 -3.210 4.561 1.00 0.00 C ATOM 798 C ARG A 51 10.066 -2.992 3.073 1.00 0.00 C ATOM 799 O ARG A 51 11.214 -2.897 2.637 1.00 0.00 O ATOM 800 CB ARG A 51 10.369 -2.034 5.363 1.00 0.00 C ATOM 801 CG ARG A 51 9.648 -0.721 5.104 1.00 0.00 C ATOM 802 CD ARG A 51 10.330 0.439 5.811 1.00 0.00 C ATOM 803 NE ARG A 51 11.423 0.997 5.019 1.00 0.00 N ATOM 804 CZ ARG A 51 11.872 2.239 5.158 1.00 0.00 C ATOM 805 NH1 ARG A 51 11.325 3.049 6.054 1.00 0.00 N ATOM 806 NH2 ARG A 51 12.870 2.674 4.400 1.00 0.00 N ATOM 0 H ARG A 51 11.221 -4.758 4.476 1.00 0.00 H new ATOM 0 HA ARG A 51 8.733 -3.271 4.722 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.308 -2.268 6.426 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.425 -1.912 5.123 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.617 -0.527 4.032 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.615 -0.799 5.444 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.597 1.219 6.017 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.715 0.101 6.773 1.00 0.00 H new ATOM 0 HE ARG A 51 11.866 0.400 4.321 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.557 2.719 6.639 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.672 4.002 6.159 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.293 2.054 3.709 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.214 3.628 4.508 1.00 0.00 H new ATOM 820 N VAL A 52 8.989 -2.915 2.297 1.00 0.00 N ATOM 821 CA VAL A 52 9.097 -2.708 0.857 1.00 0.00 C ATOM 822 C VAL A 52 8.548 -1.344 0.455 1.00 0.00 C ATOM 823 O VAL A 52 7.435 -0.976 0.831 1.00 0.00 O ATOM 824 CB VAL A 52 8.347 -3.802 0.075 1.00 0.00 C ATOM 825 CG1 VAL A 52 8.958 -5.168 0.349 1.00 0.00 C ATOM 826 CG2 VAL A 52 6.868 -3.790 0.429 1.00 0.00 C ATOM 0 H VAL A 52 8.032 -2.993 2.641 1.00 0.00 H new ATOM 0 HA VAL A 52 10.157 -2.757 0.609 1.00 0.00 H new ATOM 0 HB VAL A 52 8.444 -3.594 -0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.415 -5.929 -0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 52 10.004 -5.167 0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.894 -5.388 1.415 1.00 0.00 H new ATOM 0 HG21 VAL A 52 6.353 -4.569 -0.133 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.748 -3.973 1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.441 -2.819 0.177 1.00 0.00 H new ATOM 836 N VAL A 53 9.336 -0.597 -0.312 1.00 0.00 N ATOM 837 CA VAL A 53 8.927 0.726 -0.767 1.00 0.00 C ATOM 838 C VAL A 53 7.690 0.645 -1.654 1.00 0.00 C ATOM 839 O VAL A 53 7.565 -0.258 -2.481 1.00 0.00 O ATOM 840 CB VAL A 53 10.058 1.425 -1.545 1.00 0.00 C ATOM 841 CG1 VAL A 53 9.601 2.788 -2.042 1.00 0.00 C ATOM 842 CG2 VAL A 53 11.301 1.554 -0.678 1.00 0.00 C ATOM 0 H VAL A 53 10.261 -0.886 -0.631 1.00 0.00 H new ATOM 0 HA VAL A 53 8.693 1.309 0.124 1.00 0.00 H new ATOM 0 HB VAL A 53 10.310 0.814 -2.412 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.413 3.267 -2.589 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.742 2.665 -2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.320 3.410 -1.192 1.00 0.00 H new ATOM 0 HG21 VAL A 53 12.089 2.050 -1.244 1.00 0.00 H new ATOM 0 HG22 VAL A 53 11.066 2.142 0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.639 0.562 -0.377 1.00 0.00 H new ATOM 852 N ILE A 54 6.778 1.595 -1.475 1.00 0.00 N ATOM 853 CA ILE A 54 5.550 1.631 -2.260 1.00 0.00 C ATOM 854 C ILE A 54 5.584 2.764 -3.281 1.00 0.00 C ATOM 855 O ILE A 54 5.162 2.595 -4.425 1.00 0.00 O ATOM 856 CB ILE A 54 4.312 1.803 -1.361 1.00 0.00 C ATOM 857 CG1 ILE A 54 4.091 0.547 -0.514 1.00 0.00 C ATOM 858 CG2 ILE A 54 3.081 2.102 -2.204 1.00 0.00 C ATOM 859 CD1 ILE A 54 4.072 -0.731 -1.323 1.00 0.00 C ATOM 0 H ILE A 54 6.866 2.349 -0.794 1.00 0.00 H new ATOM 0 HA ILE A 54 5.480 0.676 -2.781 1.00 0.00 H new ATOM 0 HB ILE A 54 4.483 2.646 -0.691 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.879 0.481 0.236 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.147 0.642 0.023 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.215 2.221 -1.553 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.240 3.021 -2.767 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.905 1.278 -2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.911 -1.580 -0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.266 -0.686 -2.056 1.00 0.00 H new ATOM 0 HD13 ILE A 54 5.025 -0.849 -1.839 1.00 0.00 H new ATOM 871 N HIS A 55 6.090 3.918 -2.859 1.00 0.00 N ATOM 872 CA HIS A 55 6.182 5.079 -3.737 1.00 0.00 C ATOM 873 C HIS A 55 6.649 4.670 -5.131 1.00 0.00 C ATOM 874 O HIS A 55 7.781 4.221 -5.311 1.00 0.00 O ATOM 875 CB HIS A 55 7.140 6.116 -3.149 1.00 0.00 C ATOM 876 CG HIS A 55 7.369 7.295 -4.044 1.00 0.00 C ATOM 877 ND1 HIS A 55 7.992 7.389 -5.242 1.00 0.00 N flip ATOM 878 CD2 HIS A 55 6.936 8.568 -3.737 1.00 0.00 C flip ATOM 879 CE1 HIS A 55 7.923 8.704 -5.634 1.00 0.00 C flip ATOM 880 NE2 HIS A 55 7.281 9.394 -4.709 1.00 0.00 N flip ATOM 0 H HIS A 55 6.443 4.074 -1.915 1.00 0.00 H new ATOM 0 HA HIS A 55 5.189 5.520 -3.820 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.744 6.465 -2.196 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.097 5.637 -2.940 1.00 0.00 H new ATOM 0 HD2 HIS A 55 6.399 8.846 -2.842 1.00 0.00 H new ATOM 0 HE1 HIS A 55 8.328 9.108 -6.550 1.00 0.00 H new ATOM 0 HE2 HIS A 55 7.085 10.394 -4.740 1.00 0.00 H new ATOM 889 N PHE A 56 5.769 4.828 -6.114 1.00 0.00 N ATOM 890 CA PHE A 56 6.090 4.474 -7.492 1.00 0.00 C ATOM 891 C PHE A 56 6.982 3.237 -7.541 1.00 0.00 C ATOM 892 O PHE A 56 7.949 3.185 -8.300 1.00 0.00 O ATOM 893 CB PHE A 56 6.783 5.644 -8.193 1.00 0.00 C ATOM 894 CG PHE A 56 5.845 6.752 -8.580 1.00 0.00 C ATOM 895 CD1 PHE A 56 5.205 6.738 -9.809 1.00 0.00 C ATOM 896 CD2 PHE A 56 5.604 7.806 -7.714 1.00 0.00 C ATOM 897 CE1 PHE A 56 4.342 7.756 -10.167 1.00 0.00 C ATOM 898 CE2 PHE A 56 4.741 8.828 -8.067 1.00 0.00 C ATOM 899 CZ PHE A 56 4.109 8.802 -9.295 1.00 0.00 C ATOM 0 H PHE A 56 4.828 5.199 -5.982 1.00 0.00 H new ATOM 0 HA PHE A 56 5.158 4.250 -8.010 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.555 6.045 -7.536 1.00 0.00 H new ATOM 0 HB3 PHE A 56 7.286 5.275 -9.087 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.383 5.923 -10.494 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.095 7.830 -6.753 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.850 7.734 -11.128 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.562 9.645 -7.384 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.434 9.598 -9.573 1.00 0.00 H new ATOM 909 N ASN A 57 6.649 2.242 -6.725 1.00 0.00 N ATOM 910 CA ASN A 57 7.419 1.005 -6.675 1.00 0.00 C ATOM 911 C ASN A 57 6.539 -0.198 -6.999 1.00 0.00 C ATOM 912 O ASN A 57 6.911 -1.342 -6.737 1.00 0.00 O ATOM 913 CB ASN A 57 8.052 0.830 -5.293 1.00 0.00 C ATOM 914 CG ASN A 57 9.320 -0.001 -5.338 1.00 0.00 C ATOM 915 OD1 ASN A 57 10.232 0.280 -6.115 1.00 0.00 O ATOM 916 ND2 ASN A 57 9.381 -1.032 -4.503 1.00 0.00 N ATOM 0 H ASN A 57 5.851 2.268 -6.090 1.00 0.00 H new ATOM 0 HA ASN A 57 8.208 1.067 -7.424 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.278 1.810 -4.873 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.333 0.355 -4.625 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.208 -1.628 -4.489 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.600 -1.227 -3.876 1.00 0.00 H new ATOM 923 N VAL A 58 5.369 0.069 -7.571 1.00 0.00 N ATOM 924 CA VAL A 58 4.435 -0.991 -7.932 1.00 0.00 C ATOM 925 C VAL A 58 4.397 -1.199 -9.442 1.00 0.00 C ATOM 926 O VAL A 58 4.059 -0.286 -10.196 1.00 0.00 O ATOM 927 CB VAL A 58 3.012 -0.681 -7.432 1.00 0.00 C ATOM 928 CG1 VAL A 58 2.033 -1.739 -7.917 1.00 0.00 C ATOM 929 CG2 VAL A 58 2.992 -0.579 -5.914 1.00 0.00 C ATOM 0 H VAL A 58 5.046 1.010 -7.794 1.00 0.00 H new ATOM 0 HA VAL A 58 4.790 -1.902 -7.451 1.00 0.00 H new ATOM 0 HB VAL A 58 2.702 0.280 -7.842 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.033 -1.503 -7.554 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.028 -1.758 -9.007 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.335 -2.715 -7.539 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.979 -0.359 -5.577 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.321 -1.524 -5.481 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.662 0.219 -5.594 1.00 0.00 H new ATOM 939 N ARG A 59 4.746 -2.405 -9.877 1.00 0.00 N ATOM 940 CA ARG A 59 4.753 -2.732 -11.298 1.00 0.00 C ATOM 941 C ARG A 59 3.368 -3.174 -11.761 1.00 0.00 C ATOM 942 O ARG A 59 2.860 -2.697 -12.776 1.00 0.00 O ATOM 943 CB ARG A 59 5.774 -3.835 -11.584 1.00 0.00 C ATOM 944 CG ARG A 59 6.015 -4.072 -13.066 1.00 0.00 C ATOM 945 CD ARG A 59 7.393 -4.662 -13.319 1.00 0.00 C ATOM 946 NE ARG A 59 7.777 -4.573 -14.725 1.00 0.00 N ATOM 947 CZ ARG A 59 9.038 -4.568 -15.144 1.00 0.00 C ATOM 948 NH1 ARG A 59 10.031 -4.648 -14.268 1.00 0.00 N ATOM 949 NH2 ARG A 59 9.308 -4.484 -16.440 1.00 0.00 N ATOM 0 H ARG A 59 5.028 -3.172 -9.266 1.00 0.00 H new ATOM 0 HA ARG A 59 5.033 -1.835 -11.850 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.719 -3.576 -11.108 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.431 -4.763 -11.127 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.252 -4.746 -13.457 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.916 -3.131 -13.607 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.129 -4.139 -12.708 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.403 -5.706 -13.006 1.00 0.00 H new ATOM 0 HE ARG A 59 7.037 -4.511 -15.424 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.827 -4.714 -13.271 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.998 -4.644 -14.592 1.00 0.00 H new ATOM 0 HH21 ARG A 59 8.547 -4.423 -17.117 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.277 -4.480 -16.760 1.00 0.00 H new ATOM 963 N ASP A 60 2.763 -4.088 -11.010 1.00 0.00 N ATOM 964 CA ASP A 60 1.436 -4.594 -11.342 1.00 0.00 C ATOM 965 C ASP A 60 0.750 -5.172 -10.108 1.00 0.00 C ATOM 966 O ASP A 60 1.383 -5.374 -9.072 1.00 0.00 O ATOM 967 CB ASP A 60 1.533 -5.661 -12.434 1.00 0.00 C ATOM 968 CG ASP A 60 1.921 -5.079 -13.779 1.00 0.00 C ATOM 969 OD1 ASP A 60 1.104 -4.335 -14.361 1.00 0.00 O ATOM 970 OD2 ASP A 60 3.040 -5.370 -14.251 1.00 0.00 O ATOM 0 H ASP A 60 3.170 -4.494 -10.167 1.00 0.00 H new ATOM 0 HA ASP A 60 0.838 -3.761 -11.711 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.267 -6.411 -12.141 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.574 -6.172 -12.525 1.00 0.00 H new ATOM 975 N ILE A 61 -0.547 -5.433 -10.227 1.00 0.00 N ATOM 976 CA ILE A 61 -1.319 -5.988 -9.121 1.00 0.00 C ATOM 977 C ILE A 61 -2.463 -6.857 -9.631 1.00 0.00 C ATOM 978 O ILE A 61 -3.424 -6.357 -10.217 1.00 0.00 O ATOM 979 CB ILE A 61 -1.893 -4.876 -8.223 1.00 0.00 C ATOM 980 CG1 ILE A 61 -0.760 -4.072 -7.582 1.00 0.00 C ATOM 981 CG2 ILE A 61 -2.796 -5.473 -7.154 1.00 0.00 C ATOM 982 CD1 ILE A 61 -1.234 -2.832 -6.857 1.00 0.00 C ATOM 0 H ILE A 61 -1.086 -5.269 -11.078 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.635 -6.601 -8.534 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.488 -4.202 -8.839 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.224 -4.711 -6.880 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.049 -3.781 -8.355 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.194 -4.675 -6.527 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.619 -6.006 -7.629 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.222 -6.166 -6.539 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.378 -2.312 -6.428 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.744 -2.173 -7.559 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.922 -3.117 -6.061 1.00 0.00 H new ATOM 994 N LYS A 62 -2.356 -8.161 -9.402 1.00 0.00 N ATOM 995 CA LYS A 62 -3.383 -9.101 -9.834 1.00 0.00 C ATOM 996 C LYS A 62 -4.246 -9.543 -8.657 1.00 0.00 C ATOM 997 O LYS A 62 -3.755 -9.704 -7.540 1.00 0.00 O ATOM 998 CB LYS A 62 -2.740 -10.323 -10.495 1.00 0.00 C ATOM 999 CG LYS A 62 -1.842 -9.976 -11.670 1.00 0.00 C ATOM 1000 CD LYS A 62 -1.012 -11.171 -12.109 1.00 0.00 C ATOM 1001 CE LYS A 62 0.070 -11.502 -11.093 1.00 0.00 C ATOM 1002 NZ LYS A 62 1.023 -12.523 -11.610 1.00 0.00 N ATOM 0 H LYS A 62 -1.567 -8.591 -8.919 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.020 -8.596 -10.560 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.157 -10.864 -9.750 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.526 -10.997 -10.836 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.451 -9.629 -12.504 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.181 -9.154 -11.394 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.661 -12.036 -12.245 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.553 -10.961 -13.075 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.615 -10.594 -10.834 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.392 -11.868 -10.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.745 -12.721 -10.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.507 -13.398 -11.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.483 -12.164 -12.471 1.00 0.00 H new ATOM 1016 N VAL A 63 -5.536 -9.739 -8.915 1.00 0.00 N ATOM 1017 CA VAL A 63 -6.467 -10.165 -7.877 1.00 0.00 C ATOM 1018 C VAL A 63 -7.408 -11.248 -8.394 1.00 0.00 C ATOM 1019 O VAL A 63 -7.992 -11.116 -9.468 1.00 0.00 O ATOM 1020 CB VAL A 63 -7.302 -8.982 -7.352 1.00 0.00 C ATOM 1021 CG1 VAL A 63 -8.288 -9.452 -6.294 1.00 0.00 C ATOM 1022 CG2 VAL A 63 -6.394 -7.893 -6.801 1.00 0.00 C ATOM 0 H VAL A 63 -5.959 -9.609 -9.834 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.868 -10.568 -7.060 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.870 -8.564 -8.183 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.869 -8.602 -5.935 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.959 -10.194 -6.726 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.743 -9.897 -5.461 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.000 -7.065 -6.434 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.798 -8.296 -5.983 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.733 -7.537 -7.591 1.00 0.00 H new ATOM 1032 N GLY A 64 -7.550 -12.319 -7.620 1.00 0.00 N ATOM 1033 CA GLY A 64 -8.422 -13.410 -8.016 1.00 0.00 C ATOM 1034 C GLY A 64 -7.877 -14.188 -9.197 1.00 0.00 C ATOM 1035 O GLY A 64 -6.769 -14.720 -9.139 1.00 0.00 O ATOM 0 H GLY A 64 -7.077 -12.451 -6.726 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.560 -14.086 -7.172 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.405 -13.012 -8.269 1.00 0.00 H new ATOM 1039 N GLN A 65 -8.659 -14.257 -10.270 1.00 0.00 N ATOM 1040 CA GLN A 65 -8.249 -14.978 -11.468 1.00 0.00 C ATOM 1041 C GLN A 65 -6.932 -14.430 -12.010 1.00 0.00 C ATOM 1042 O GLN A 65 -6.002 -15.187 -12.287 1.00 0.00 O ATOM 1043 CB GLN A 65 -9.334 -14.884 -12.542 1.00 0.00 C ATOM 1044 CG GLN A 65 -10.362 -16.001 -12.467 1.00 0.00 C ATOM 1045 CD GLN A 65 -11.643 -15.666 -13.205 1.00 0.00 C ATOM 1046 OE1 GLN A 65 -11.618 -15.018 -14.253 1.00 0.00 O ATOM 1047 NE2 GLN A 65 -12.772 -16.105 -12.663 1.00 0.00 N ATOM 0 H GLN A 65 -9.580 -13.822 -10.333 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.103 -16.024 -11.199 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.844 -13.925 -12.449 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.863 -14.900 -13.525 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.934 -16.912 -12.885 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.593 -16.208 -11.422 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -12.747 -16.638 -11.794 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -13.665 -15.909 -13.116 1.00 0.00 H new ATOM 1056 N GLU A 66 -6.862 -13.111 -12.158 1.00 0.00 N ATOM 1057 CA GLU A 66 -5.659 -12.463 -12.667 1.00 0.00 C ATOM 1058 C GLU A 66 -4.406 -13.202 -12.206 1.00 0.00 C ATOM 1059 O GLU A 66 -3.491 -13.446 -12.993 1.00 0.00 O ATOM 1060 CB GLU A 66 -5.604 -11.005 -12.206 1.00 0.00 C ATOM 1061 CG GLU A 66 -6.814 -10.188 -12.625 1.00 0.00 C ATOM 1062 CD GLU A 66 -6.528 -8.700 -12.666 1.00 0.00 C ATOM 1063 OE1 GLU A 66 -5.813 -8.208 -11.768 1.00 0.00 O ATOM 1064 OE2 GLU A 66 -7.019 -8.026 -13.596 1.00 0.00 O ATOM 0 H GLU A 66 -7.623 -12.471 -11.933 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.696 -12.491 -13.756 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.517 -10.979 -11.120 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.705 -10.539 -12.609 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.147 -10.517 -13.609 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.633 -10.378 -11.932 1.00 0.00 H new ATOM 1071 N CYS A 67 -4.373 -13.555 -10.926 1.00 0.00 N ATOM 1072 CA CYS A 67 -3.232 -14.264 -10.358 1.00 0.00 C ATOM 1073 C CYS A 67 -3.224 -15.724 -10.800 1.00 0.00 C ATOM 1074 O CYS A 67 -4.229 -16.424 -10.679 1.00 0.00 O ATOM 1075 CB CYS A 67 -3.262 -14.182 -8.831 1.00 0.00 C ATOM 1076 SG CYS A 67 -1.661 -14.474 -8.044 1.00 0.00 S ATOM 0 H CYS A 67 -5.123 -13.362 -10.262 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.322 -13.787 -10.723 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -3.624 -13.197 -8.538 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -3.979 -14.911 -8.453 1.00 0.00 H new ATOM 0 HG CYS A 67 -1.824 -14.592 -6.760 1.00 0.00 H new ATOM 1144 N PRO A 72 -5.738 -21.070 -3.631 1.00 0.00 N ATOM 1145 CA PRO A 72 -6.301 -20.487 -2.410 1.00 0.00 C ATOM 1146 C PRO A 72 -6.350 -21.487 -1.260 1.00 0.00 C ATOM 1147 O PRO A 72 -6.537 -22.688 -1.457 1.00 0.00 O ATOM 1148 CB PRO A 72 -7.717 -20.084 -2.829 1.00 0.00 C ATOM 1149 CG PRO A 72 -8.048 -20.990 -3.964 1.00 0.00 C ATOM 1150 CD PRO A 72 -6.753 -21.243 -4.684 1.00 0.00 C ATOM 0 HA PRO A 72 -5.699 -19.657 -2.040 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.423 -20.205 -2.007 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.757 -19.038 -3.133 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -8.483 -21.923 -3.605 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.781 -20.532 -4.628 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.721 -22.245 -5.113 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.605 -20.540 -5.504 1.00 0.00 H new ATOM 1158 N PRO A 73 -6.180 -20.983 -0.028 1.00 0.00 N ATOM 1159 CA PRO A 73 -6.202 -21.816 1.178 1.00 0.00 C ATOM 1160 C PRO A 73 -7.595 -22.354 1.485 1.00 0.00 C ATOM 1161 O PRO A 73 -8.551 -22.076 0.761 1.00 0.00 O ATOM 1162 CB PRO A 73 -5.745 -20.856 2.280 1.00 0.00 C ATOM 1163 CG PRO A 73 -6.105 -19.501 1.776 1.00 0.00 C ATOM 1164 CD PRO A 73 -5.953 -19.561 0.281 1.00 0.00 C ATOM 0 HA PRO A 73 -5.572 -22.700 1.075 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.243 -21.072 3.225 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.673 -20.940 2.459 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.126 -19.240 2.054 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.453 -18.740 2.204 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.677 -18.920 -0.223 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.963 -19.234 -0.036 1.00 0.00 H new ATOM 1172 N GLU A 74 -7.702 -23.125 2.563 1.00 0.00 N ATOM 1173 CA GLU A 74 -8.980 -23.702 2.964 1.00 0.00 C ATOM 1174 C GLU A 74 -9.925 -22.623 3.484 1.00 0.00 C ATOM 1175 O GLU A 74 -9.533 -21.770 4.279 1.00 0.00 O ATOM 1176 CB GLU A 74 -8.767 -24.770 4.039 1.00 0.00 C ATOM 1177 CG GLU A 74 -9.985 -25.648 4.275 1.00 0.00 C ATOM 1178 CD GLU A 74 -9.717 -26.763 5.266 1.00 0.00 C ATOM 1179 OE1 GLU A 74 -8.963 -27.697 4.921 1.00 0.00 O ATOM 1180 OE2 GLU A 74 -10.262 -26.702 6.388 1.00 0.00 O ATOM 0 H GLU A 74 -6.920 -23.364 3.173 1.00 0.00 H new ATOM 0 HA GLU A 74 -9.432 -24.164 2.087 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.926 -25.400 3.751 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.494 -24.282 4.975 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.807 -25.032 4.640 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.307 -26.079 3.327 1.00 0.00 H new ATOM 1187 N GLY A 75 -11.174 -22.668 3.028 1.00 0.00 N ATOM 1188 CA GLY A 75 -12.155 -21.689 3.456 1.00 0.00 C ATOM 1189 C GLY A 75 -12.248 -20.508 2.510 1.00 0.00 C ATOM 1190 O GLY A 75 -13.283 -20.289 1.880 1.00 0.00 O ATOM 0 H GLY A 75 -11.523 -23.365 2.370 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.132 -22.167 3.532 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.896 -21.332 4.453 1.00 0.00 H new ATOM 1194 N ARG A 76 -11.165 -19.745 2.411 1.00 0.00 N ATOM 1195 CA ARG A 76 -11.130 -18.578 1.537 1.00 0.00 C ATOM 1196 C ARG A 76 -11.423 -18.972 0.093 1.00 0.00 C ATOM 1197 O ARG A 76 -11.508 -20.156 -0.233 1.00 0.00 O ATOM 1198 CB ARG A 76 -9.765 -17.892 1.623 1.00 0.00 C ATOM 1199 CG ARG A 76 -9.679 -16.843 2.719 1.00 0.00 C ATOM 1200 CD ARG A 76 -10.002 -17.434 4.083 1.00 0.00 C ATOM 1201 NE ARG A 76 -9.702 -16.504 5.168 1.00 0.00 N ATOM 1202 CZ ARG A 76 -10.055 -16.711 6.432 1.00 0.00 C ATOM 1203 NH1 ARG A 76 -10.715 -17.811 6.768 1.00 0.00 N ATOM 1204 NH2 ARG A 76 -9.746 -15.817 7.363 1.00 0.00 N ATOM 0 H ARG A 76 -10.300 -19.913 2.925 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.901 -17.882 1.869 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.998 -18.648 1.794 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.542 -17.423 0.665 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.677 -16.414 2.735 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.371 -16.030 2.501 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -11.057 -17.705 4.120 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -9.432 -18.352 4.224 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.194 -15.649 4.943 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.953 -18.501 6.055 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -10.985 -17.967 7.739 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -9.237 -14.970 7.108 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.017 -15.976 8.333 1.00 0.00 H new ATOM 1218 N SER A 77 -11.579 -17.971 -0.768 1.00 0.00 N ATOM 1219 CA SER A 77 -11.868 -18.213 -2.177 1.00 0.00 C ATOM 1220 C SER A 77 -10.772 -17.630 -3.064 1.00 0.00 C ATOM 1221 O SER A 77 -9.960 -16.821 -2.615 1.00 0.00 O ATOM 1222 CB SER A 77 -13.221 -17.606 -2.553 1.00 0.00 C ATOM 1223 OG SER A 77 -14.288 -18.351 -1.992 1.00 0.00 O ATOM 0 H SER A 77 -11.510 -16.985 -0.515 1.00 0.00 H new ATOM 0 HA SER A 77 -11.905 -19.291 -2.335 1.00 0.00 H new ATOM 0 HB2 SER A 77 -13.270 -16.575 -2.203 1.00 0.00 H new ATOM 0 HB3 SER A 77 -13.323 -17.580 -3.638 1.00 0.00 H new ATOM 0 HG SER A 77 -15.142 -17.942 -2.246 1.00 0.00 H new ATOM 1229 N ARG A 78 -10.756 -18.047 -4.325 1.00 0.00 N ATOM 1230 CA ARG A 78 -9.760 -17.568 -5.276 1.00 0.00 C ATOM 1231 C ARG A 78 -9.802 -16.047 -5.388 1.00 0.00 C ATOM 1232 O ARG A 78 -8.769 -15.380 -5.316 1.00 0.00 O ATOM 1233 CB ARG A 78 -9.991 -18.198 -6.651 1.00 0.00 C ATOM 1234 CG ARG A 78 -9.243 -19.505 -6.856 1.00 0.00 C ATOM 1235 CD ARG A 78 -8.900 -19.726 -8.320 1.00 0.00 C ATOM 1236 NE ARG A 78 -7.727 -18.957 -8.730 1.00 0.00 N ATOM 1237 CZ ARG A 78 -7.484 -18.601 -9.986 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -8.328 -18.941 -10.950 1.00 0.00 N ATOM 1239 NH2 ARG A 78 -6.396 -17.901 -10.279 1.00 0.00 N ATOM 0 H ARG A 78 -11.422 -18.716 -4.712 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.776 -17.861 -4.911 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.058 -18.375 -6.785 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.686 -17.490 -7.421 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.328 -19.499 -6.264 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.851 -20.334 -6.494 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -8.717 -20.786 -8.493 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.752 -19.444 -8.938 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.058 -18.678 -8.012 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.167 -19.477 -10.728 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.139 -18.666 -11.914 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.746 -17.636 -9.539 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.210 -17.628 -11.244 1.00 0.00 H new ATOM 1253 N ASP A 79 -11.002 -15.505 -5.563 1.00 0.00 N ATOM 1254 CA ASP A 79 -11.179 -14.063 -5.684 1.00 0.00 C ATOM 1255 C ASP A 79 -10.391 -13.326 -4.606 1.00 0.00 C ATOM 1256 O ASP A 79 -9.930 -12.205 -4.817 1.00 0.00 O ATOM 1257 CB ASP A 79 -12.662 -13.700 -5.587 1.00 0.00 C ATOM 1258 CG ASP A 79 -13.406 -14.565 -4.589 1.00 0.00 C ATOM 1259 OD1 ASP A 79 -13.343 -14.263 -3.379 1.00 0.00 O ATOM 1260 OD2 ASP A 79 -14.051 -15.544 -5.018 1.00 0.00 O ATOM 0 H ASP A 79 -11.867 -16.043 -5.624 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.800 -13.756 -6.659 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -12.759 -12.653 -5.299 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.124 -13.804 -6.569 1.00 0.00 H new ATOM 1265 N GLY A 80 -10.241 -13.964 -3.450 1.00 0.00 N ATOM 1266 CA GLY A 80 -9.509 -13.353 -2.355 1.00 0.00 C ATOM 1267 C GLY A 80 -8.051 -13.114 -2.695 1.00 0.00 C ATOM 1268 O GLY A 80 -7.465 -12.114 -2.277 1.00 0.00 O ATOM 0 H GLY A 80 -10.613 -14.893 -3.251 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.978 -12.405 -2.093 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.574 -13.994 -1.476 1.00 0.00 H new ATOM 1272 N LEU A 81 -7.463 -14.032 -3.454 1.00 0.00 N ATOM 1273 CA LEU A 81 -6.064 -13.917 -3.849 1.00 0.00 C ATOM 1274 C LEU A 81 -5.707 -12.470 -4.174 1.00 0.00 C ATOM 1275 O LEU A 81 -6.536 -11.714 -4.684 1.00 0.00 O ATOM 1276 CB LEU A 81 -5.780 -14.808 -5.059 1.00 0.00 C ATOM 1277 CG LEU A 81 -5.384 -16.253 -4.750 1.00 0.00 C ATOM 1278 CD1 LEU A 81 -6.262 -16.822 -3.646 1.00 0.00 C ATOM 1279 CD2 LEU A 81 -5.476 -17.111 -6.003 1.00 0.00 C ATOM 0 H LEU A 81 -7.934 -14.865 -3.808 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.448 -14.245 -3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.668 -14.823 -5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.981 -14.350 -5.643 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.350 -16.261 -4.404 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.966 -17.851 -3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.145 -16.223 -2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.305 -16.801 -3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.191 -18.136 -5.764 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.499 -17.097 -6.379 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.804 -16.716 -6.765 1.00 0.00 H new ATOM 1291 N LEU A 82 -4.469 -12.090 -3.878 1.00 0.00 N ATOM 1292 CA LEU A 82 -4.001 -10.734 -4.141 1.00 0.00 C ATOM 1293 C LEU A 82 -2.477 -10.667 -4.107 1.00 0.00 C ATOM 1294 O LEU A 82 -1.863 -10.799 -3.048 1.00 0.00 O ATOM 1295 CB LEU A 82 -4.589 -9.763 -3.116 1.00 0.00 C ATOM 1296 CG LEU A 82 -3.782 -8.489 -2.858 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -3.890 -7.540 -4.042 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -4.253 -7.809 -1.582 1.00 0.00 C ATOM 0 H LEU A 82 -3.771 -12.702 -3.456 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.336 -10.447 -5.138 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.587 -9.476 -3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.707 -10.292 -2.170 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.735 -8.764 -2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.310 -6.639 -3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.503 -8.029 -4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.935 -7.271 -4.199 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.668 -6.905 -1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.307 -7.547 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.122 -8.487 -0.739 1.00 0.00 H new ATOM 1310 N THR A 83 -1.873 -10.459 -5.273 1.00 0.00 N ATOM 1311 CA THR A 83 -0.422 -10.374 -5.376 1.00 0.00 C ATOM 1312 C THR A 83 0.014 -9.004 -5.884 1.00 0.00 C ATOM 1313 O THR A 83 -0.586 -8.453 -6.808 1.00 0.00 O ATOM 1314 CB THR A 83 0.139 -11.458 -6.315 1.00 0.00 C ATOM 1315 OG1 THR A 83 -0.228 -12.757 -5.838 1.00 0.00 O ATOM 1316 CG2 THR A 83 1.654 -11.358 -6.414 1.00 0.00 C ATOM 0 H THR A 83 -2.366 -10.346 -6.159 1.00 0.00 H new ATOM 0 HA THR A 83 -0.025 -10.531 -4.373 1.00 0.00 H new ATOM 0 HB THR A 83 -0.285 -11.302 -7.307 1.00 0.00 H new ATOM 0 HG1 THR A 83 -0.540 -13.305 -6.588 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.027 -12.134 -7.083 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.929 -10.379 -6.805 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.093 -11.490 -5.425 1.00 0.00 H new ATOM 1324 N VAL A 84 1.061 -8.458 -5.275 1.00 0.00 N ATOM 1325 CA VAL A 84 1.578 -7.152 -5.667 1.00 0.00 C ATOM 1326 C VAL A 84 3.001 -7.263 -6.205 1.00 0.00 C ATOM 1327 O VAL A 84 3.852 -7.917 -5.605 1.00 0.00 O ATOM 1328 CB VAL A 84 1.564 -6.165 -4.485 1.00 0.00 C ATOM 1329 CG1 VAL A 84 2.098 -4.807 -4.916 1.00 0.00 C ATOM 1330 CG2 VAL A 84 0.159 -6.037 -3.915 1.00 0.00 C ATOM 0 H VAL A 84 1.568 -8.900 -4.508 1.00 0.00 H new ATOM 0 HA VAL A 84 0.923 -6.776 -6.453 1.00 0.00 H new ATOM 0 HB VAL A 84 2.216 -6.553 -3.703 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.080 -4.123 -4.067 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.122 -4.915 -5.273 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.475 -4.408 -5.716 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.167 -5.336 -3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.516 -5.672 -4.689 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.182 -7.012 -3.566 1.00 0.00 H new ATOM 1340 N ASN A 85 3.250 -6.617 -7.340 1.00 0.00 N ATOM 1341 CA ASN A 85 4.570 -6.643 -7.959 1.00 0.00 C ATOM 1342 C ASN A 85 5.351 -5.375 -7.629 1.00 0.00 C ATOM 1343 O ASN A 85 4.806 -4.271 -7.658 1.00 0.00 O ATOM 1344 CB ASN A 85 4.441 -6.796 -9.476 1.00 0.00 C ATOM 1345 CG ASN A 85 4.340 -8.247 -9.905 1.00 0.00 C ATOM 1346 OD1 ASN A 85 5.313 -8.835 -10.377 1.00 0.00 O ATOM 1347 ND2 ASN A 85 3.159 -8.831 -9.743 1.00 0.00 N ATOM 0 H ASN A 85 2.556 -6.070 -7.849 1.00 0.00 H new ATOM 0 HA ASN A 85 5.115 -7.498 -7.559 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.558 -6.256 -9.819 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.303 -6.336 -9.959 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.031 -9.806 -10.014 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.380 -8.305 -9.347 1.00 0.00 H new ATOM 1354 N LEU A 86 6.631 -5.541 -7.314 1.00 0.00 N ATOM 1355 CA LEU A 86 7.489 -4.410 -6.978 1.00 0.00 C ATOM 1356 C LEU A 86 8.516 -4.160 -8.078 1.00 0.00 C ATOM 1357 O LEU A 86 8.995 -5.096 -8.718 1.00 0.00 O ATOM 1358 CB LEU A 86 8.201 -4.661 -5.648 1.00 0.00 C ATOM 1359 CG LEU A 86 7.299 -4.807 -4.421 1.00 0.00 C ATOM 1360 CD1 LEU A 86 8.108 -5.253 -3.214 1.00 0.00 C ATOM 1361 CD2 LEU A 86 6.579 -3.498 -4.130 1.00 0.00 C ATOM 0 H LEU A 86 7.097 -6.448 -7.284 1.00 0.00 H new ATOM 0 HA LEU A 86 6.860 -3.525 -6.885 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.799 -5.567 -5.744 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.894 -3.839 -5.469 1.00 0.00 H new ATOM 0 HG LEU A 86 6.551 -5.571 -4.632 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.450 -5.351 -2.351 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.576 -6.215 -3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.879 -4.513 -2.999 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.942 -3.620 -3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.312 -2.714 -3.939 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.967 -3.221 -4.988 1.00 0.00 H new ATOM 1373 N ARG A 87 8.851 -2.891 -8.290 1.00 0.00 N ATOM 1374 CA ARG A 87 9.823 -2.518 -9.311 1.00 0.00 C ATOM 1375 C ARG A 87 11.161 -3.210 -9.067 1.00 0.00 C ATOM 1376 O ARG A 87 11.726 -3.824 -9.971 1.00 0.00 O ATOM 1377 CB ARG A 87 10.017 -1.001 -9.331 1.00 0.00 C ATOM 1378 CG ARG A 87 8.727 -0.225 -9.544 1.00 0.00 C ATOM 1379 CD ARG A 87 8.271 -0.289 -10.993 1.00 0.00 C ATOM 1380 NE ARG A 87 9.242 0.317 -11.900 1.00 0.00 N ATOM 1381 CZ ARG A 87 8.926 0.808 -13.093 1.00 0.00 C ATOM 1382 NH1 ARG A 87 7.671 0.766 -13.520 1.00 0.00 N ATOM 1383 NH2 ARG A 87 9.866 1.344 -13.861 1.00 0.00 N ATOM 0 H ARG A 87 8.464 -2.104 -7.769 1.00 0.00 H new ATOM 0 HA ARG A 87 9.438 -2.841 -10.278 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.468 -0.688 -8.389 1.00 0.00 H new ATOM 0 HB3 ARG A 87 10.721 -0.744 -10.122 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.947 -0.629 -8.898 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.875 0.815 -9.254 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.110 -1.329 -11.277 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.313 0.221 -11.094 1.00 0.00 H new ATOM 0 HE ARG A 87 10.216 0.366 -11.601 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.946 0.356 -12.932 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.431 1.144 -14.437 1.00 0.00 H new ATOM 0 HH21 ARG A 87 10.832 1.379 -13.535 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.623 1.721 -14.777 1.00 0.00 H new ATOM 1397 N GLU A 88 11.661 -3.104 -7.840 1.00 0.00 N ATOM 1398 CA GLU A 88 12.933 -3.718 -7.479 1.00 0.00 C ATOM 1399 C GLU A 88 13.106 -5.063 -8.179 1.00 0.00 C ATOM 1400 O GLU A 88 14.165 -5.354 -8.734 1.00 0.00 O ATOM 1401 CB GLU A 88 13.022 -3.905 -5.963 1.00 0.00 C ATOM 1402 CG GLU A 88 11.881 -4.724 -5.382 1.00 0.00 C ATOM 1403 CD GLU A 88 11.800 -4.622 -3.872 1.00 0.00 C ATOM 1404 OE1 GLU A 88 11.805 -3.487 -3.352 1.00 0.00 O ATOM 1405 OE2 GLU A 88 11.730 -5.678 -3.209 1.00 0.00 O ATOM 0 H GLU A 88 11.205 -2.599 -7.080 1.00 0.00 H new ATOM 0 HA GLU A 88 13.733 -3.053 -7.804 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.967 -4.391 -5.720 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.035 -2.926 -5.485 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.939 -4.388 -5.816 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.008 -5.769 -5.666 1.00 0.00 H new ATOM 1412 N GLY A 89 12.057 -5.880 -8.147 1.00 0.00 N ATOM 1413 CA GLY A 89 12.113 -7.184 -8.781 1.00 0.00 C ATOM 1414 C GLY A 89 11.654 -8.297 -7.860 1.00 0.00 C ATOM 1415 O GLY A 89 12.353 -9.294 -7.684 1.00 0.00 O ATOM 0 H GLY A 89 11.170 -5.662 -7.693 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.490 -7.177 -9.675 1.00 0.00 H new ATOM 0 HA3 GLY A 89 13.134 -7.383 -9.106 1.00 0.00 H new ATOM 1419 N SER A 90 10.475 -8.125 -7.270 1.00 0.00 N ATOM 1420 CA SER A 90 9.926 -9.121 -6.357 1.00 0.00 C ATOM 1421 C SER A 90 8.414 -8.960 -6.225 1.00 0.00 C ATOM 1422 O SER A 90 7.889 -7.849 -6.290 1.00 0.00 O ATOM 1423 CB SER A 90 10.585 -9.002 -4.982 1.00 0.00 C ATOM 1424 OG SER A 90 9.978 -9.878 -4.048 1.00 0.00 O ATOM 0 H SER A 90 9.882 -7.306 -7.408 1.00 0.00 H new ATOM 0 HA SER A 90 10.135 -10.109 -6.767 1.00 0.00 H new ATOM 0 HB2 SER A 90 11.647 -9.232 -5.063 1.00 0.00 H new ATOM 0 HB3 SER A 90 10.507 -7.975 -4.626 1.00 0.00 H new ATOM 0 HG SER A 90 10.418 -9.784 -3.178 1.00 0.00 H new ATOM 1430 N ARG A 91 7.721 -10.079 -6.038 1.00 0.00 N ATOM 1431 CA ARG A 91 6.270 -10.063 -5.897 1.00 0.00 C ATOM 1432 C ARG A 91 5.859 -10.388 -4.464 1.00 0.00 C ATOM 1433 O ARG A 91 6.614 -11.012 -3.716 1.00 0.00 O ATOM 1434 CB ARG A 91 5.632 -11.065 -6.861 1.00 0.00 C ATOM 1435 CG ARG A 91 6.120 -12.492 -6.667 1.00 0.00 C ATOM 1436 CD ARG A 91 5.701 -13.386 -7.824 1.00 0.00 C ATOM 1437 NE ARG A 91 6.557 -14.563 -7.944 1.00 0.00 N ATOM 1438 CZ ARG A 91 7.738 -14.553 -8.552 1.00 0.00 C ATOM 1439 NH1 ARG A 91 8.201 -13.434 -9.091 1.00 0.00 N ATOM 1440 NH2 ARG A 91 8.459 -15.665 -8.620 1.00 0.00 N ATOM 0 H ARG A 91 8.141 -11.007 -5.981 1.00 0.00 H new ATOM 0 HA ARG A 91 5.918 -9.060 -6.139 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.550 -11.040 -6.734 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.840 -10.755 -7.885 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.206 -12.497 -6.577 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.721 -12.891 -5.734 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.668 -13.702 -7.682 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.735 -12.817 -8.753 1.00 0.00 H new ATOM 0 HE ARG A 91 6.230 -15.440 -7.539 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.650 -12.577 -9.040 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.108 -13.430 -9.557 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.106 -16.528 -8.205 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.366 -15.657 -9.087 1.00 0.00 H new ATOM 1454 N LEU A 92 4.659 -9.961 -4.087 1.00 0.00 N ATOM 1455 CA LEU A 92 4.147 -10.206 -2.743 1.00 0.00 C ATOM 1456 C LEU A 92 2.891 -11.070 -2.787 1.00 0.00 C ATOM 1457 O LEU A 92 1.815 -10.600 -3.161 1.00 0.00 O ATOM 1458 CB LEU A 92 3.845 -8.881 -2.041 1.00 0.00 C ATOM 1459 CG LEU A 92 4.999 -8.259 -1.254 1.00 0.00 C ATOM 1460 CD1 LEU A 92 4.761 -6.772 -1.043 1.00 0.00 C ATOM 1461 CD2 LEU A 92 5.175 -8.967 0.081 1.00 0.00 C ATOM 0 H LEU A 92 4.022 -9.443 -4.693 1.00 0.00 H new ATOM 0 HA LEU A 92 4.913 -10.741 -2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.515 -8.163 -2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.009 -9.037 -1.359 1.00 0.00 H new ATOM 0 HG LEU A 92 5.915 -8.381 -1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.593 -6.347 -0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 92 4.684 -6.275 -2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.835 -6.627 -0.486 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.000 -8.512 0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.259 -8.876 0.665 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.392 -10.021 -0.092 1.00 0.00 H new ATOM 1473 N HIS A 93 3.033 -12.334 -2.402 1.00 0.00 N ATOM 1474 CA HIS A 93 1.909 -13.263 -2.395 1.00 0.00 C ATOM 1475 C HIS A 93 1.020 -13.031 -1.177 1.00 0.00 C ATOM 1476 O HIS A 93 1.476 -13.128 -0.036 1.00 0.00 O ATOM 1477 CB HIS A 93 2.412 -14.706 -2.407 1.00 0.00 C ATOM 1478 CG HIS A 93 3.087 -15.095 -3.687 1.00 0.00 C ATOM 1479 ND1 HIS A 93 2.643 -15.827 -4.735 1.00 0.00 N flip ATOM 1480 CD2 HIS A 93 4.378 -14.725 -3.999 1.00 0.00 C flip ATOM 1481 CE1 HIS A 93 3.663 -15.884 -5.653 1.00 0.00 C flip ATOM 1482 NE2 HIS A 93 4.698 -15.211 -5.185 1.00 0.00 N flip ATOM 0 H HIS A 93 3.916 -12.739 -2.091 1.00 0.00 H new ATOM 0 HA HIS A 93 1.318 -13.086 -3.293 1.00 0.00 H new ATOM 0 HB2 HIS A 93 3.109 -14.846 -1.581 1.00 0.00 H new ATOM 0 HB3 HIS A 93 1.571 -15.377 -2.231 1.00 0.00 H new ATOM 0 HD1 HIS A 93 1.722 -16.256 -4.826 1.00 0.00 H new ATOM 0 HD2 HIS A 93 5.026 -14.131 -3.372 1.00 0.00 H new ATOM 0 HE1 HIS A 93 3.625 -16.396 -6.603 1.00 0.00 H new ATOM 1491 N LEU A 94 -0.248 -12.725 -1.425 1.00 0.00 N ATOM 1492 CA LEU A 94 -1.201 -12.479 -0.348 1.00 0.00 C ATOM 1493 C LEU A 94 -2.600 -12.941 -0.743 1.00 0.00 C ATOM 1494 O LEU A 94 -2.901 -13.099 -1.926 1.00 0.00 O ATOM 1495 CB LEU A 94 -1.224 -10.992 0.009 1.00 0.00 C ATOM 1496 CG LEU A 94 0.128 -10.360 0.341 1.00 0.00 C ATOM 1497 CD1 LEU A 94 0.018 -8.843 0.363 1.00 0.00 C ATOM 1498 CD2 LEU A 94 0.646 -10.878 1.675 1.00 0.00 C ATOM 0 H LEU A 94 -0.641 -12.641 -2.363 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.883 -13.051 0.524 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.663 -10.445 -0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.886 -10.854 0.864 1.00 0.00 H new ATOM 0 HG LEU A 94 0.839 -10.641 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.990 -8.411 0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.307 -8.488 -0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.708 -8.542 1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.609 -10.417 1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.064 -10.628 2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.765 -11.960 1.624 1.00 0.00 H new ATOM 1510 N CYS A 95 -3.450 -13.153 0.255 1.00 0.00 N ATOM 1511 CA CYS A 95 -4.819 -13.595 0.012 1.00 0.00 C ATOM 1512 C CYS A 95 -5.765 -13.045 1.075 1.00 0.00 C ATOM 1513 O CYS A 95 -5.550 -13.239 2.271 1.00 0.00 O ATOM 1514 CB CYS A 95 -4.887 -15.123 -0.007 1.00 0.00 C ATOM 1515 SG CYS A 95 -6.564 -15.785 -0.150 1.00 0.00 S ATOM 0 H CYS A 95 -3.216 -13.026 1.240 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.132 -13.212 -0.959 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.290 -15.492 -0.841 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.433 -15.508 0.906 1.00 0.00 H new ATOM 0 HG CYS A 95 -7.402 -14.970 0.418 1.00 0.00 H new ATOM 1521 N ALA A 96 -6.811 -12.357 0.630 1.00 0.00 N ATOM 1522 CA ALA A 96 -7.790 -11.780 1.543 1.00 0.00 C ATOM 1523 C ALA A 96 -8.971 -12.721 1.749 1.00 0.00 C ATOM 1524 O ALA A 96 -9.026 -13.800 1.160 1.00 0.00 O ATOM 1525 CB ALA A 96 -8.270 -10.434 1.019 1.00 0.00 C ATOM 0 H ALA A 96 -7.002 -12.186 -0.357 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.306 -11.631 2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -9.001 -10.014 1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.422 -9.755 0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.731 -10.568 0.041 1.00 0.00 H new ATOM 1531 N GLU A 97 -9.914 -12.306 2.589 1.00 0.00 N ATOM 1532 CA GLU A 97 -11.094 -13.115 2.873 1.00 0.00 C ATOM 1533 C GLU A 97 -12.083 -13.060 1.712 1.00 0.00 C ATOM 1534 O GLU A 97 -12.751 -14.048 1.403 1.00 0.00 O ATOM 1535 CB GLU A 97 -11.771 -12.634 4.158 1.00 0.00 C ATOM 1536 CG GLU A 97 -12.133 -11.159 4.141 1.00 0.00 C ATOM 1537 CD GLU A 97 -12.933 -10.740 5.359 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -12.397 -10.836 6.483 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -14.095 -10.316 5.188 1.00 0.00 O ATOM 0 H GLU A 97 -9.884 -11.415 3.085 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.773 -14.148 3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -12.676 -13.219 4.323 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -11.108 -12.827 5.002 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -11.220 -10.565 4.089 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -12.707 -10.940 3.241 1.00 0.00 H new ATOM 1546 N THR A 98 -12.173 -11.898 1.073 1.00 0.00 N ATOM 1547 CA THR A 98 -13.081 -11.713 -0.052 1.00 0.00 C ATOM 1548 C THR A 98 -12.496 -10.748 -1.078 1.00 0.00 C ATOM 1549 O THR A 98 -11.427 -10.176 -0.866 1.00 0.00 O ATOM 1550 CB THR A 98 -14.450 -11.181 0.413 1.00 0.00 C ATOM 1551 OG1 THR A 98 -14.289 -9.918 1.066 1.00 0.00 O ATOM 1552 CG2 THR A 98 -15.119 -12.166 1.360 1.00 0.00 C ATOM 0 H THR A 98 -11.628 -11.071 1.316 1.00 0.00 H new ATOM 0 HA THR A 98 -13.217 -12.691 -0.513 1.00 0.00 H new ATOM 0 HB THR A 98 -15.084 -11.057 -0.465 1.00 0.00 H new ATOM 0 HG1 THR A 98 -15.164 -9.586 1.357 1.00 0.00 H new ATOM 0 HG21 THR A 98 -16.084 -11.769 1.675 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.267 -13.118 0.850 1.00 0.00 H new ATOM 0 HG23 THR A 98 -14.486 -12.317 2.234 1.00 0.00 H new ATOM 1560 N ARG A 99 -13.204 -10.572 -2.188 1.00 0.00 N ATOM 1561 CA ARG A 99 -12.754 -9.677 -3.247 1.00 0.00 C ATOM 1562 C ARG A 99 -12.796 -8.224 -2.785 1.00 0.00 C ATOM 1563 O ARG A 99 -11.876 -7.450 -3.053 1.00 0.00 O ATOM 1564 CB ARG A 99 -13.622 -9.851 -4.495 1.00 0.00 C ATOM 1565 CG ARG A 99 -15.089 -9.521 -4.267 1.00 0.00 C ATOM 1566 CD ARG A 99 -15.866 -9.509 -5.574 1.00 0.00 C ATOM 1567 NE ARG A 99 -17.307 -9.596 -5.354 1.00 0.00 N ATOM 1568 CZ ARG A 99 -18.212 -9.199 -6.243 1.00 0.00 C ATOM 1569 NH1 ARG A 99 -17.825 -8.692 -7.405 1.00 0.00 N ATOM 1570 NH2 ARG A 99 -19.505 -9.311 -5.970 1.00 0.00 N ATOM 0 H ARG A 99 -14.092 -11.037 -2.378 1.00 0.00 H new ATOM 0 HA ARG A 99 -11.723 -9.934 -3.491 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.234 -9.213 -5.289 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -13.540 -10.880 -4.844 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.527 -10.253 -3.589 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -15.173 -8.548 -3.783 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -15.638 -8.596 -6.123 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -15.543 -10.344 -6.196 1.00 0.00 H new ATOM 0 HE ARG A 99 -17.637 -9.983 -4.470 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -16.831 -8.606 -7.618 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -18.521 -8.388 -8.086 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -19.806 -9.702 -5.077 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -20.199 -9.006 -6.653 1.00 0.00 H new ATOM 1584 N ASP A 100 -13.867 -7.860 -2.089 1.00 0.00 N ATOM 1585 CA ASP A 100 -14.029 -6.500 -1.588 1.00 0.00 C ATOM 1586 C ASP A 100 -12.759 -6.024 -0.890 1.00 0.00 C ATOM 1587 O ASP A 100 -12.158 -5.024 -1.285 1.00 0.00 O ATOM 1588 CB ASP A 100 -15.214 -6.426 -0.625 1.00 0.00 C ATOM 1589 CG ASP A 100 -15.052 -5.329 0.410 1.00 0.00 C ATOM 1590 OD1 ASP A 100 -15.048 -4.142 0.021 1.00 0.00 O ATOM 1591 OD2 ASP A 100 -14.928 -5.658 1.608 1.00 0.00 O ATOM 0 H ASP A 100 -14.637 -8.488 -1.859 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.222 -5.846 -2.438 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -16.129 -6.254 -1.192 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -15.328 -7.385 -0.119 1.00 0.00 H new ATOM 1596 N ASP A 101 -12.356 -6.745 0.151 1.00 0.00 N ATOM 1597 CA ASP A 101 -11.158 -6.397 0.905 1.00 0.00 C ATOM 1598 C ASP A 101 -9.941 -6.321 -0.013 1.00 0.00 C ATOM 1599 O ASP A 101 -9.116 -5.416 0.107 1.00 0.00 O ATOM 1600 CB ASP A 101 -10.912 -7.420 2.015 1.00 0.00 C ATOM 1601 CG ASP A 101 -11.735 -7.136 3.256 1.00 0.00 C ATOM 1602 OD1 ASP A 101 -12.970 -7.315 3.204 1.00 0.00 O ATOM 1603 OD2 ASP A 101 -11.144 -6.735 4.280 1.00 0.00 O ATOM 0 H ASP A 101 -12.842 -7.574 0.492 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.314 -5.416 1.354 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.150 -8.417 1.645 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.854 -7.421 2.277 1.00 0.00 H new ATOM 1608 N ALA A 102 -9.836 -7.280 -0.928 1.00 0.00 N ATOM 1609 CA ALA A 102 -8.721 -7.321 -1.866 1.00 0.00 C ATOM 1610 C ALA A 102 -8.651 -6.042 -2.692 1.00 0.00 C ATOM 1611 O ALA A 102 -7.595 -5.418 -2.800 1.00 0.00 O ATOM 1612 CB ALA A 102 -8.843 -8.534 -2.776 1.00 0.00 C ATOM 0 H ALA A 102 -10.509 -8.038 -1.039 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.798 -7.402 -1.292 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.004 -8.553 -3.472 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.836 -9.443 -2.174 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -9.777 -8.477 -3.335 1.00 0.00 H new ATOM 1618 N ILE A 103 -9.782 -5.657 -3.275 1.00 0.00 N ATOM 1619 CA ILE A 103 -9.848 -4.451 -4.091 1.00 0.00 C ATOM 1620 C ILE A 103 -9.297 -3.246 -3.337 1.00 0.00 C ATOM 1621 O ILE A 103 -8.502 -2.475 -3.875 1.00 0.00 O ATOM 1622 CB ILE A 103 -11.292 -4.149 -4.534 1.00 0.00 C ATOM 1623 CG1 ILE A 103 -11.842 -5.303 -5.375 1.00 0.00 C ATOM 1624 CG2 ILE A 103 -11.344 -2.845 -5.315 1.00 0.00 C ATOM 1625 CD1 ILE A 103 -13.344 -5.264 -5.544 1.00 0.00 C ATOM 0 H ILE A 103 -10.664 -6.163 -3.197 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.236 -4.634 -4.974 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.915 -4.043 -3.646 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.373 -5.281 -6.359 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -11.561 -6.248 -4.909 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -12.371 -2.645 -5.621 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.988 -2.029 -4.686 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.711 -2.925 -6.199 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.664 -6.111 -6.151 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.822 -5.317 -4.566 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.631 -4.335 -6.038 1.00 0.00 H new ATOM 1637 N ALA A 104 -9.723 -3.090 -2.088 1.00 0.00 N ATOM 1638 CA ALA A 104 -9.270 -1.981 -1.258 1.00 0.00 C ATOM 1639 C ALA A 104 -7.754 -1.825 -1.332 1.00 0.00 C ATOM 1640 O ALA A 104 -7.245 -0.726 -1.551 1.00 0.00 O ATOM 1641 CB ALA A 104 -9.712 -2.185 0.183 1.00 0.00 C ATOM 0 H ALA A 104 -10.382 -3.718 -1.628 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.723 -1.065 -1.638 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.367 -1.349 0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.800 -2.240 0.226 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.287 -3.113 0.566 1.00 0.00 H new ATOM 1647 N TRP A 105 -7.041 -2.929 -1.145 1.00 0.00 N ATOM 1648 CA TRP A 105 -5.583 -2.913 -1.190 1.00 0.00 C ATOM 1649 C TRP A 105 -5.085 -2.480 -2.564 1.00 0.00 C ATOM 1650 O TRP A 105 -4.192 -1.640 -2.676 1.00 0.00 O ATOM 1651 CB TRP A 105 -5.027 -4.295 -0.844 1.00 0.00 C ATOM 1652 CG TRP A 105 -4.807 -4.497 0.625 1.00 0.00 C ATOM 1653 CD1 TRP A 105 -5.468 -5.370 1.440 1.00 0.00 C ATOM 1654 CD2 TRP A 105 -3.862 -3.809 1.452 1.00 0.00 C ATOM 1655 NE1 TRP A 105 -4.991 -5.267 2.725 1.00 0.00 N ATOM 1656 CE2 TRP A 105 -4.005 -4.317 2.758 1.00 0.00 C ATOM 1657 CE3 TRP A 105 -2.908 -2.816 1.216 1.00 0.00 C ATOM 1658 CZ2 TRP A 105 -3.229 -3.863 3.822 1.00 0.00 C ATOM 1659 CZ3 TRP A 105 -2.139 -2.366 2.273 1.00 0.00 C ATOM 1660 CH2 TRP A 105 -2.303 -2.890 3.562 1.00 0.00 C ATOM 0 H TRP A 105 -7.448 -3.846 -0.961 1.00 0.00 H new ATOM 0 HA TRP A 105 -5.229 -2.192 -0.453 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -5.715 -5.057 -1.209 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.083 -4.440 -1.369 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.251 -6.043 1.122 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -5.318 -5.810 3.524 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -2.774 -2.407 0.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -3.354 -4.265 4.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -1.399 -1.598 2.102 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -1.686 -2.518 4.367 1.00 0.00 H new ATOM 1671 N LYS A 106 -5.667 -3.059 -3.609 1.00 0.00 N ATOM 1672 CA LYS A 106 -5.284 -2.732 -4.977 1.00 0.00 C ATOM 1673 C LYS A 106 -5.301 -1.223 -5.202 1.00 0.00 C ATOM 1674 O LYS A 106 -4.391 -0.665 -5.816 1.00 0.00 O ATOM 1675 CB LYS A 106 -6.225 -3.417 -5.970 1.00 0.00 C ATOM 1676 CG LYS A 106 -5.994 -3.002 -7.413 1.00 0.00 C ATOM 1677 CD LYS A 106 -6.354 -4.119 -8.379 1.00 0.00 C ATOM 1678 CE LYS A 106 -5.550 -4.022 -9.666 1.00 0.00 C ATOM 1679 NZ LYS A 106 -5.924 -2.822 -10.465 1.00 0.00 N ATOM 0 H LYS A 106 -6.406 -3.758 -3.534 1.00 0.00 H new ATOM 0 HA LYS A 106 -4.269 -3.094 -5.139 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -6.103 -4.497 -5.887 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -7.256 -3.191 -5.696 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -6.591 -2.118 -7.638 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -4.949 -2.724 -7.550 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -6.171 -5.084 -7.906 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -7.418 -4.074 -8.609 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -4.487 -3.983 -9.428 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.710 -4.920 -10.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -5.354 -2.792 -11.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -6.933 -2.871 -10.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -5.747 -1.963 -9.905 1.00 0.00 H new ATOM 1693 N THR A 107 -6.341 -0.567 -4.698 1.00 0.00 N ATOM 1694 CA THR A 107 -6.477 0.877 -4.843 1.00 0.00 C ATOM 1695 C THR A 107 -5.493 1.615 -3.942 1.00 0.00 C ATOM 1696 O THR A 107 -4.893 2.611 -4.346 1.00 0.00 O ATOM 1697 CB THR A 107 -7.907 1.343 -4.512 1.00 0.00 C ATOM 1698 OG1 THR A 107 -8.848 0.679 -5.363 1.00 0.00 O ATOM 1699 CG2 THR A 107 -8.039 2.849 -4.681 1.00 0.00 C ATOM 0 H THR A 107 -7.102 -1.013 -4.185 1.00 0.00 H new ATOM 0 HA THR A 107 -6.258 1.112 -5.885 1.00 0.00 H new ATOM 0 HB THR A 107 -8.116 1.090 -3.472 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.755 0.979 -5.145 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.058 3.154 -4.442 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.342 3.353 -4.011 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.812 3.121 -5.712 1.00 0.00 H new ATOM 1707 N ALA A 108 -5.332 1.120 -2.719 1.00 0.00 N ATOM 1708 CA ALA A 108 -4.419 1.731 -1.761 1.00 0.00 C ATOM 1709 C ALA A 108 -2.982 1.689 -2.270 1.00 0.00 C ATOM 1710 O ALA A 108 -2.184 2.583 -1.983 1.00 0.00 O ATOM 1711 CB ALA A 108 -4.524 1.035 -0.413 1.00 0.00 C ATOM 0 H ALA A 108 -5.822 0.297 -2.368 1.00 0.00 H new ATOM 0 HA ALA A 108 -4.704 2.776 -1.640 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -3.836 1.502 0.292 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.544 1.122 -0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.267 -0.018 -0.526 1.00 0.00 H new ATOM 1717 N LEU A 109 -2.657 0.646 -3.026 1.00 0.00 N ATOM 1718 CA LEU A 109 -1.314 0.487 -3.574 1.00 0.00 C ATOM 1719 C LEU A 109 -1.173 1.240 -4.893 1.00 0.00 C ATOM 1720 O LEU A 109 -0.177 1.925 -5.124 1.00 0.00 O ATOM 1721 CB LEU A 109 -1.000 -0.995 -3.783 1.00 0.00 C ATOM 1722 CG LEU A 109 -0.851 -1.835 -2.514 1.00 0.00 C ATOM 1723 CD1 LEU A 109 -1.025 -3.313 -2.828 1.00 0.00 C ATOM 1724 CD2 LEU A 109 0.501 -1.582 -1.862 1.00 0.00 C ATOM 0 H LEU A 109 -3.305 -0.102 -3.274 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.604 0.905 -2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.792 -1.431 -4.392 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.076 -1.073 -4.357 1.00 0.00 H new ATOM 0 HG LEU A 109 -1.631 -1.539 -1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.916 -3.895 -1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.016 -3.481 -3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.268 -3.624 -3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.589 -2.188 -0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.296 -1.849 -2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.587 -0.527 -1.600 1.00 0.00 H new ATOM 1736 N MET A 110 -2.176 1.108 -5.755 1.00 0.00 N ATOM 1737 CA MET A 110 -2.164 1.779 -7.049 1.00 0.00 C ATOM 1738 C MET A 110 -2.155 3.295 -6.877 1.00 0.00 C ATOM 1739 O MET A 110 -1.504 4.010 -7.637 1.00 0.00 O ATOM 1740 CB MET A 110 -3.379 1.356 -7.878 1.00 0.00 C ATOM 1741 CG MET A 110 -3.258 -0.042 -8.463 1.00 0.00 C ATOM 1742 SD MET A 110 -2.474 -0.050 -10.086 1.00 0.00 S ATOM 1743 CE MET A 110 -0.851 -0.686 -9.675 1.00 0.00 C ATOM 0 H MET A 110 -3.007 0.543 -5.581 1.00 0.00 H new ATOM 0 HA MET A 110 -1.254 1.486 -7.573 1.00 0.00 H new ATOM 0 HB2 MET A 110 -4.270 1.403 -7.252 1.00 0.00 H new ATOM 0 HB3 MET A 110 -3.521 2.070 -8.690 1.00 0.00 H new ATOM 0 HG2 MET A 110 -2.681 -0.668 -7.782 1.00 0.00 H new ATOM 0 HG3 MET A 110 -4.250 -0.486 -8.541 1.00 0.00 H new ATOM 0 HE1 MET A 110 -0.115 -0.279 -10.368 1.00 0.00 H new ATOM 0 HE2 MET A 110 -0.592 -0.393 -8.657 1.00 0.00 H new ATOM 0 HE3 MET A 110 -0.857 -1.773 -9.749 1.00 0.00 H new ATOM 1753 N GLU A 111 -2.881 3.776 -5.873 1.00 0.00 N ATOM 1754 CA GLU A 111 -2.956 5.207 -5.602 1.00 0.00 C ATOM 1755 C GLU A 111 -1.593 5.755 -5.191 1.00 0.00 C ATOM 1756 O GLU A 111 -1.006 6.579 -5.892 1.00 0.00 O ATOM 1757 CB GLU A 111 -3.983 5.488 -4.504 1.00 0.00 C ATOM 1758 CG GLU A 111 -5.389 5.722 -5.030 1.00 0.00 C ATOM 1759 CD GLU A 111 -6.361 6.128 -3.939 1.00 0.00 C ATOM 1760 OE1 GLU A 111 -6.017 7.026 -3.142 1.00 0.00 O ATOM 1761 OE2 GLU A 111 -7.466 5.548 -3.883 1.00 0.00 O ATOM 0 H GLU A 111 -3.425 3.196 -5.234 1.00 0.00 H new ATOM 0 HA GLU A 111 -3.269 5.708 -6.518 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.999 4.648 -3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.666 6.363 -3.937 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.362 6.498 -5.795 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.749 4.813 -5.512 1.00 0.00 H new ATOM 1768 N ALA A 112 -1.095 5.291 -4.050 1.00 0.00 N ATOM 1769 CA ALA A 112 0.199 5.733 -3.545 1.00 0.00 C ATOM 1770 C ALA A 112 1.272 5.634 -4.624 1.00 0.00 C ATOM 1771 O ALA A 112 2.159 6.482 -4.710 1.00 0.00 O ATOM 1772 CB ALA A 112 0.597 4.916 -2.325 1.00 0.00 C ATOM 0 H ALA A 112 -1.568 4.609 -3.457 1.00 0.00 H new ATOM 0 HA ALA A 112 0.109 6.779 -3.254 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.565 5.257 -1.959 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.152 5.042 -1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.663 3.863 -2.598 1.00 0.00 H new ATOM 1778 N ASN A 113 1.184 4.592 -5.445 1.00 0.00 N ATOM 1779 CA ASN A 113 2.149 4.382 -6.518 1.00 0.00 C ATOM 1780 C ASN A 113 1.995 5.442 -7.604 1.00 0.00 C ATOM 1781 O ASN A 113 2.981 5.904 -8.180 1.00 0.00 O ATOM 1782 CB ASN A 113 1.974 2.987 -7.123 1.00 0.00 C ATOM 1783 CG ASN A 113 2.355 2.942 -8.590 1.00 0.00 C ATOM 1784 OD1 ASN A 113 3.515 3.148 -8.948 1.00 0.00 O ATOM 1785 ND2 ASN A 113 1.378 2.670 -9.447 1.00 0.00 N ATOM 0 H ASN A 113 0.455 3.881 -5.388 1.00 0.00 H new ATOM 0 HA ASN A 113 3.150 4.465 -6.094 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.585 2.274 -6.569 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.937 2.672 -7.010 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.575 2.625 -10.447 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.431 2.506 -9.105 1.00 0.00 H new ATOM 1792 N SER A 114 0.752 5.825 -7.878 1.00 0.00 N ATOM 1793 CA SER A 114 0.468 6.829 -8.897 1.00 0.00 C ATOM 1794 C SER A 114 -0.065 8.110 -8.263 1.00 0.00 C ATOM 1795 O SER A 114 -0.887 8.814 -8.851 1.00 0.00 O ATOM 1796 CB SER A 114 -0.544 6.288 -9.908 1.00 0.00 C ATOM 1797 OG SER A 114 -1.838 6.196 -9.336 1.00 0.00 O ATOM 0 H SER A 114 -0.075 5.455 -7.409 1.00 0.00 H new ATOM 0 HA SER A 114 1.399 7.060 -9.414 1.00 0.00 H new ATOM 0 HB2 SER A 114 -0.575 6.940 -10.781 1.00 0.00 H new ATOM 0 HB3 SER A 114 -0.226 5.305 -10.255 1.00 0.00 H new ATOM 0 HG SER A 114 -1.859 5.458 -8.691 1.00 0.00 H new ATOM 1803 N THR A 115 0.410 8.409 -7.057 1.00 0.00 N ATOM 1804 CA THR A 115 -0.018 9.604 -6.342 1.00 0.00 C ATOM 1805 C THR A 115 1.073 10.101 -5.400 1.00 0.00 C ATOM 1806 O THR A 115 1.318 9.528 -4.338 1.00 0.00 O ATOM 1807 CB THR A 115 -1.301 9.344 -5.530 1.00 0.00 C ATOM 1808 OG1 THR A 115 -2.368 8.968 -6.408 1.00 0.00 O ATOM 1809 CG2 THR A 115 -1.701 10.580 -4.739 1.00 0.00 C ATOM 0 H THR A 115 1.091 7.839 -6.556 1.00 0.00 H new ATOM 0 HA THR A 115 -0.221 10.366 -7.094 1.00 0.00 H new ATOM 0 HB THR A 115 -1.103 8.532 -4.830 1.00 0.00 H new ATOM 0 HG1 THR A 115 -2.325 8.004 -6.581 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.610 10.372 -4.174 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.899 10.847 -4.051 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.882 11.408 -5.425 1.00 0.00 H new ATOM 1817 N PRO A 116 1.745 11.193 -5.795 1.00 0.00 N ATOM 1818 CA PRO A 116 2.820 11.792 -4.999 1.00 0.00 C ATOM 1819 C PRO A 116 2.301 12.452 -3.726 1.00 0.00 C ATOM 1820 O PRO A 116 1.097 12.469 -3.472 1.00 0.00 O ATOM 1821 CB PRO A 116 3.416 12.841 -5.941 1.00 0.00 C ATOM 1822 CG PRO A 116 2.307 13.187 -6.873 1.00 0.00 C ATOM 1823 CD PRO A 116 1.506 11.927 -7.049 1.00 0.00 C ATOM 0 HA PRO A 116 3.539 11.047 -4.659 1.00 0.00 H new ATOM 0 HB2 PRO A 116 3.759 13.717 -5.391 1.00 0.00 H new ATOM 0 HB3 PRO A 116 4.277 12.446 -6.480 1.00 0.00 H new ATOM 0 HG2 PRO A 116 1.690 13.988 -6.465 1.00 0.00 H new ATOM 0 HG3 PRO A 116 2.696 13.539 -7.829 1.00 0.00 H new ATOM 0 HD2 PRO A 116 0.447 12.141 -7.194 1.00 0.00 H new ATOM 0 HD3 PRO A 116 1.838 11.358 -7.917 1.00 0.00 H new