USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 827 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 80 CYS SG : rot -24:sc= -1.19 USER MOD Set 1.2: A 95 CYS SG : rot -35:sc= -1.05 USER MOD Set 2.1: A 54 MET CE :methyl -145:sc= -3.27! (180deg=-4.69!) USER MOD Set 2.2: A 58 CYS SG : rot 41:sc= -4.03! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 29:sc= 0.0663 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 173:sc= 0.668 (180deg=0.643) USER MOD Single : A 27 ASN : amide:sc= -2.09 K(o=-2.1,f=-6.8!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 15:sc= -1.27 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -2.84! C(o=-2.8!,f=-5.8!) USER MOD Single : A 44 THR OG1 : rot 2:sc= -0.623 USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -6.66! C(o=-6.7!,f=-8.4!) USER MOD Single : A 60 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.32) USER MOD Single : A 63 THR OG1 : rot 160:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -4.12! C(o=-4.1!,f=-6.2!) USER MOD Single : A 86 CYS SG : rot 102:sc= -0.284 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 28:sc= 0.966 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot -68:sc= 0.546 USER MOD Single : A 102 CYS SG : rot -163:sc= 0.311 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 76:sc= 1.05 USER MOD Single : A 110 GLN : amide:sc= -6.11! C(o=-6.1!,f=-11!) USER MOD Single : A 112 SER OG : rot 6:sc= 0.844 USER MOD ----------------------------------------------------------------- ATOM 66 N PHE A 8 -12.879 -2.057 -7.311 1.00 0.00 N ATOM 67 CA PHE A 8 -11.701 -1.468 -6.685 1.00 0.00 C ATOM 68 C PHE A 8 -11.250 -0.221 -7.440 1.00 0.00 C ATOM 69 O PHE A 8 -11.169 -0.221 -8.669 1.00 0.00 O ATOM 70 CB PHE A 8 -10.561 -2.487 -6.634 1.00 0.00 C ATOM 71 CG PHE A 8 -10.986 -3.838 -6.133 1.00 0.00 C ATOM 72 CD1 PHE A 8 -11.562 -3.977 -4.881 1.00 0.00 C ATOM 73 CD2 PHE A 8 -10.811 -4.968 -6.915 1.00 0.00 C ATOM 74 CE1 PHE A 8 -11.954 -5.218 -4.417 1.00 0.00 C ATOM 75 CE2 PHE A 8 -11.201 -6.213 -6.456 1.00 0.00 C ATOM 76 CZ PHE A 8 -11.774 -6.338 -5.206 1.00 0.00 C ATOM 0 HA PHE A 8 -11.967 -1.179 -5.668 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -10.137 -2.596 -7.632 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -9.769 -2.103 -5.991 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -11.706 -3.105 -4.260 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -10.365 -4.876 -7.894 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -12.401 -5.313 -3.438 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -11.058 -7.087 -7.075 1.00 0.00 H new ATOM 0 HZ PHE A 8 -12.081 -7.309 -4.846 1.00 0.00 H new ATOM 86 N VAL A 9 -10.959 0.841 -6.696 1.00 0.00 N ATOM 87 CA VAL A 9 -10.516 2.095 -7.294 1.00 0.00 C ATOM 88 C VAL A 9 -9.288 1.882 -8.172 1.00 0.00 C ATOM 89 O VAL A 9 -9.308 2.175 -9.368 1.00 0.00 O ATOM 90 CB VAL A 9 -10.186 3.145 -6.216 1.00 0.00 C ATOM 91 CG1 VAL A 9 -9.850 4.482 -6.858 1.00 0.00 C ATOM 92 CG2 VAL A 9 -11.345 3.289 -5.241 1.00 0.00 C ATOM 0 H VAL A 9 -11.022 0.858 -5.678 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.339 2.461 -7.908 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.312 2.807 -5.659 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.620 5.211 -6.081 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.987 4.364 -7.513 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.703 4.830 -7.441 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -11.095 4.035 -4.486 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -12.238 3.604 -5.781 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.534 2.331 -4.756 1.00 0.00 H new ATOM 102 N LYS A 10 -8.220 1.368 -7.572 1.00 0.00 N ATOM 103 CA LYS A 10 -6.982 1.113 -8.299 1.00 0.00 C ATOM 104 C LYS A 10 -6.324 -0.176 -7.816 1.00 0.00 C ATOM 105 O LYS A 10 -6.257 -0.438 -6.616 1.00 0.00 O ATOM 106 CB LYS A 10 -6.015 2.286 -8.129 1.00 0.00 C ATOM 107 CG LYS A 10 -4.679 2.079 -8.821 1.00 0.00 C ATOM 108 CD LYS A 10 -3.787 3.302 -8.689 1.00 0.00 C ATOM 109 CE LYS A 10 -2.315 2.928 -8.764 1.00 0.00 C ATOM 110 NZ LYS A 10 -1.814 2.925 -10.167 1.00 0.00 N ATOM 0 H LYS A 10 -8.187 1.120 -6.583 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.227 1.003 -9.355 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.481 3.190 -8.521 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.842 2.452 -7.066 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.176 1.213 -8.391 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.845 1.861 -9.876 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.024 4.013 -9.480 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.989 3.801 -7.741 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.731 3.632 -8.171 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.168 1.942 -8.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.807 2.665 -10.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.354 2.235 -10.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.931 3.873 -10.579 1.00 0.00 H new ATOM 124 N SER A 11 -5.839 -0.977 -8.760 1.00 0.00 N ATOM 125 CA SER A 11 -5.188 -2.239 -8.431 1.00 0.00 C ATOM 126 C SER A 11 -3.833 -2.349 -9.124 1.00 0.00 C ATOM 127 O SER A 11 -3.725 -2.155 -10.334 1.00 0.00 O ATOM 128 CB SER A 11 -6.077 -3.417 -8.835 1.00 0.00 C ATOM 129 OG SER A 11 -6.376 -3.378 -10.219 1.00 0.00 O ATOM 0 H SER A 11 -5.885 -0.774 -9.759 1.00 0.00 H new ATOM 0 HA SER A 11 -5.029 -2.266 -7.353 1.00 0.00 H new ATOM 0 HB2 SER A 11 -5.576 -4.354 -8.594 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.002 -3.393 -8.259 1.00 0.00 H new ATOM 0 HG SER A 11 -5.641 -2.944 -10.700 1.00 0.00 H new ATOM 135 N GLY A 12 -2.801 -2.662 -8.347 1.00 0.00 N ATOM 136 CA GLY A 12 -1.467 -2.793 -8.903 1.00 0.00 C ATOM 137 C GLY A 12 -0.540 -3.588 -8.005 1.00 0.00 C ATOM 138 O GLY A 12 -0.916 -3.970 -6.897 1.00 0.00 O ATOM 0 H GLY A 12 -2.865 -2.827 -7.342 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.529 -3.278 -9.877 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.046 -1.801 -9.067 1.00 0.00 H new ATOM 142 N TRP A 13 0.673 -3.839 -8.484 1.00 0.00 N ATOM 143 CA TRP A 13 1.656 -4.596 -7.717 1.00 0.00 C ATOM 144 C TRP A 13 2.542 -3.664 -6.897 1.00 0.00 C ATOM 145 O TRP A 13 3.072 -2.680 -7.416 1.00 0.00 O ATOM 146 CB TRP A 13 2.517 -5.447 -8.651 1.00 0.00 C ATOM 147 CG TRP A 13 1.859 -6.730 -9.060 1.00 0.00 C ATOM 148 CD1 TRP A 13 1.286 -7.009 -10.269 1.00 0.00 C ATOM 149 CD2 TRP A 13 1.705 -7.908 -8.260 1.00 0.00 C ATOM 150 NE1 TRP A 13 0.785 -8.288 -10.268 1.00 0.00 N ATOM 151 CE2 TRP A 13 1.030 -8.861 -9.048 1.00 0.00 C ATOM 152 CE3 TRP A 13 2.073 -8.250 -6.957 1.00 0.00 C ATOM 153 CZ2 TRP A 13 0.715 -10.131 -8.572 1.00 0.00 C ATOM 154 CZ3 TRP A 13 1.760 -9.511 -6.486 1.00 0.00 C ATOM 155 CH2 TRP A 13 1.088 -10.439 -7.292 1.00 0.00 C ATOM 0 H TRP A 13 1.000 -3.530 -9.399 1.00 0.00 H new ATOM 0 HA TRP A 13 1.118 -5.252 -7.032 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.754 -4.868 -9.543 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.462 -5.673 -8.157 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.235 -6.324 -11.103 1.00 0.00 H new ATOM 0 HE1 TRP A 13 0.308 -8.738 -11.049 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.593 -7.542 -6.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 0.195 -10.847 -9.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.038 -9.786 -5.479 1.00 0.00 H new ATOM 0 HH2 TRP A 13 0.860 -11.417 -6.895 1.00 0.00 H new ATOM 166 N LEU A 14 2.699 -3.979 -5.616 1.00 0.00 N ATOM 167 CA LEU A 14 3.523 -3.169 -4.725 1.00 0.00 C ATOM 168 C LEU A 14 4.173 -4.033 -3.649 1.00 0.00 C ATOM 169 O LEU A 14 3.601 -5.032 -3.210 1.00 0.00 O ATOM 170 CB LEU A 14 2.677 -2.074 -4.073 1.00 0.00 C ATOM 171 CG LEU A 14 1.802 -1.250 -5.018 1.00 0.00 C ATOM 172 CD1 LEU A 14 0.849 -0.365 -4.228 1.00 0.00 C ATOM 173 CD2 LEU A 14 2.665 -0.410 -5.948 1.00 0.00 C ATOM 0 H LEU A 14 2.267 -4.789 -5.171 1.00 0.00 H new ATOM 0 HA LEU A 14 4.311 -2.707 -5.319 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.033 -2.537 -3.325 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.344 -1.395 -3.543 1.00 0.00 H new ATOM 0 HG LEU A 14 1.210 -1.936 -5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.234 0.214 -4.917 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.207 -0.987 -3.604 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.422 0.313 -3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.025 0.170 -6.613 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.283 0.267 -5.358 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.306 -1.064 -6.540 1.00 0.00 H new ATOM 185 N LEU A 15 5.370 -3.642 -3.227 1.00 0.00 N ATOM 186 CA LEU A 15 6.098 -4.380 -2.200 1.00 0.00 C ATOM 187 C LEU A 15 5.635 -3.972 -0.806 1.00 0.00 C ATOM 188 O LEU A 15 5.121 -2.871 -0.609 1.00 0.00 O ATOM 189 CB LEU A 15 7.602 -4.139 -2.341 1.00 0.00 C ATOM 190 CG LEU A 15 8.150 -4.132 -3.769 1.00 0.00 C ATOM 191 CD1 LEU A 15 9.393 -3.262 -3.860 1.00 0.00 C ATOM 192 CD2 LEU A 15 8.454 -5.550 -4.230 1.00 0.00 C ATOM 0 H LEU A 15 5.857 -2.818 -3.580 1.00 0.00 H new ATOM 0 HA LEU A 15 5.892 -5.442 -2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.841 -3.182 -1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 15 8.128 -4.908 -1.775 1.00 0.00 H new ATOM 0 HG LEU A 15 7.390 -3.712 -4.427 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.768 -3.270 -4.883 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.144 -2.241 -3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.159 -3.651 -3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.843 -5.526 -5.248 1.00 0.00 H new ATOM 0 HD22 LEU A 15 9.196 -5.996 -3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.541 -6.145 -4.204 1.00 0.00 H new ATOM 204 N ARG A 16 5.822 -4.866 0.160 1.00 0.00 N ATOM 205 CA ARG A 16 5.425 -4.599 1.537 1.00 0.00 C ATOM 206 C ARG A 16 6.393 -5.252 2.519 1.00 0.00 C ATOM 207 O ARG A 16 6.656 -6.452 2.439 1.00 0.00 O ATOM 208 CB ARG A 16 4.005 -5.109 1.788 1.00 0.00 C ATOM 209 CG ARG A 16 3.515 -4.873 3.207 1.00 0.00 C ATOM 210 CD ARG A 16 2.130 -5.463 3.424 1.00 0.00 C ATOM 211 NE ARG A 16 2.190 -6.867 3.820 1.00 0.00 N ATOM 212 CZ ARG A 16 2.686 -7.284 4.980 1.00 0.00 C ATOM 213 NH1 ARG A 16 3.162 -6.408 5.853 1.00 0.00 N ATOM 214 NH2 ARG A 16 2.705 -8.579 5.268 1.00 0.00 N ATOM 0 H ARG A 16 6.246 -5.782 0.014 1.00 0.00 H new ATOM 0 HA ARG A 16 5.450 -3.521 1.693 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.324 -4.620 1.091 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.968 -6.177 1.573 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.216 -5.318 3.914 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.492 -3.803 3.412 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.609 -4.892 4.192 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.548 -5.369 2.507 1.00 0.00 H new ATOM 0 HE ARG A 16 1.831 -7.567 3.170 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.148 -5.412 5.635 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.542 -6.730 6.743 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.339 -9.256 4.599 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.086 -8.898 6.159 1.00 0.00 H new ATOM 228 N GLN A 17 6.918 -4.455 3.443 1.00 0.00 N ATOM 229 CA GLN A 17 7.858 -4.957 4.439 1.00 0.00 C ATOM 230 C GLN A 17 7.136 -5.774 5.505 1.00 0.00 C ATOM 231 O GLN A 17 6.416 -5.226 6.340 1.00 0.00 O ATOM 232 CB GLN A 17 8.610 -3.795 5.092 1.00 0.00 C ATOM 233 CG GLN A 17 9.984 -4.179 5.616 1.00 0.00 C ATOM 234 CD GLN A 17 10.673 -3.037 6.337 1.00 0.00 C ATOM 235 OE1 GLN A 17 10.234 -2.605 7.403 1.00 0.00 O ATOM 236 NE2 GLN A 17 11.759 -2.540 5.756 1.00 0.00 N ATOM 0 H GLN A 17 6.709 -3.460 3.523 1.00 0.00 H new ATOM 0 HA GLN A 17 8.574 -5.605 3.933 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.719 -2.990 4.366 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.013 -3.403 5.915 1.00 0.00 H new ATOM 0 HG2 GLN A 17 9.886 -5.026 6.295 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.607 -4.507 4.784 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.088 -2.929 4.872 1.00 0.00 H new ATOM 0 HE22 GLN A 17 12.264 -1.770 6.194 1.00 0.00 H new ATOM 245 N SER A 18 7.332 -7.088 5.470 1.00 0.00 N ATOM 246 CA SER A 18 6.696 -7.982 6.431 1.00 0.00 C ATOM 247 C SER A 18 7.379 -7.890 7.793 1.00 0.00 C ATOM 248 O SER A 18 8.409 -7.232 7.942 1.00 0.00 O ATOM 249 CB SER A 18 6.738 -9.424 5.923 1.00 0.00 C ATOM 250 OG SER A 18 5.697 -9.667 4.993 1.00 0.00 O ATOM 0 H SER A 18 7.926 -7.557 4.787 1.00 0.00 H new ATOM 0 HA SER A 18 5.656 -7.674 6.544 1.00 0.00 H new ATOM 0 HB2 SER A 18 7.702 -9.620 5.454 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.647 -10.112 6.764 1.00 0.00 H new ATOM 0 HG SER A 18 5.746 -10.595 4.682 1.00 0.00 H new ATOM 256 N THR A 19 6.798 -8.556 8.785 1.00 0.00 N ATOM 257 CA THR A 19 7.348 -8.551 10.135 1.00 0.00 C ATOM 258 C THR A 19 7.934 -9.911 10.496 1.00 0.00 C ATOM 259 O THR A 19 8.432 -10.108 11.605 1.00 0.00 O ATOM 260 CB THR A 19 6.277 -8.173 11.176 1.00 0.00 C ATOM 261 OG1 THR A 19 5.055 -8.864 10.894 1.00 0.00 O ATOM 262 CG2 THR A 19 6.029 -6.672 11.178 1.00 0.00 C ATOM 0 H THR A 19 5.946 -9.106 8.679 1.00 0.00 H new ATOM 0 HA THR A 19 8.140 -7.802 10.151 1.00 0.00 H new ATOM 0 HB THR A 19 6.640 -8.465 12.161 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.380 -8.620 11.561 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.269 -6.430 11.921 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.955 -6.151 11.422 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.685 -6.359 10.192 1.00 0.00 H new ATOM 270 N ILE A 20 7.873 -10.845 9.553 1.00 0.00 N ATOM 271 CA ILE A 20 8.400 -12.186 9.772 1.00 0.00 C ATOM 272 C ILE A 20 9.619 -12.448 8.894 1.00 0.00 C ATOM 273 O ILE A 20 10.588 -13.073 9.328 1.00 0.00 O ATOM 274 CB ILE A 20 7.336 -13.263 9.487 1.00 0.00 C ATOM 275 CG1 ILE A 20 6.132 -13.078 10.413 1.00 0.00 C ATOM 276 CG2 ILE A 20 7.931 -14.653 9.654 1.00 0.00 C ATOM 277 CD1 ILE A 20 6.445 -13.336 11.871 1.00 0.00 C ATOM 0 H ILE A 20 7.464 -10.698 8.630 1.00 0.00 H new ATOM 0 HA ILE A 20 8.691 -12.243 10.821 1.00 0.00 H new ATOM 0 HB ILE A 20 6.998 -13.156 8.456 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.754 -12.061 10.305 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.334 -13.750 10.097 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.167 -15.403 9.449 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.760 -14.780 8.958 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.293 -14.773 10.675 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.546 -13.186 12.468 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.794 -14.361 11.992 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.221 -12.647 12.204 1.00 0.00 H new ATOM 289 N LEU A 21 9.566 -11.964 7.658 1.00 0.00 N ATOM 290 CA LEU A 21 10.667 -12.144 6.718 1.00 0.00 C ATOM 291 C LEU A 21 11.527 -10.887 6.641 1.00 0.00 C ATOM 292 O LEU A 21 12.583 -10.881 6.008 1.00 0.00 O ATOM 293 CB LEU A 21 10.127 -12.492 5.330 1.00 0.00 C ATOM 294 CG LEU A 21 9.419 -13.842 5.204 1.00 0.00 C ATOM 295 CD1 LEU A 21 8.636 -13.915 3.903 1.00 0.00 C ATOM 296 CD2 LEU A 21 10.424 -14.981 5.289 1.00 0.00 C ATOM 0 H LEU A 21 8.773 -11.444 7.283 1.00 0.00 H new ATOM 0 HA LEU A 21 11.287 -12.966 7.076 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.431 -11.710 5.026 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.957 -12.472 4.624 1.00 0.00 H new ATOM 0 HG LEU A 21 8.717 -13.941 6.032 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.139 -14.883 3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.889 -13.121 3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.317 -13.794 3.061 1.00 0.00 H new ATOM 0 HD21 LEU A 21 9.903 -15.934 5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 21 11.151 -14.886 4.482 1.00 0.00 H new ATOM 0 HD23 LEU A 21 10.940 -14.940 6.248 1.00 0.00 H new ATOM 308 N LYS A 22 11.070 -9.822 7.291 1.00 0.00 N ATOM 309 CA LYS A 22 11.798 -8.559 7.300 1.00 0.00 C ATOM 310 C LYS A 22 12.408 -8.273 5.932 1.00 0.00 C ATOM 311 O LYS A 22 13.587 -7.934 5.825 1.00 0.00 O ATOM 312 CB LYS A 22 12.898 -8.588 8.364 1.00 0.00 C ATOM 313 CG LYS A 22 12.374 -8.786 9.776 1.00 0.00 C ATOM 314 CD LYS A 22 11.654 -7.547 10.282 1.00 0.00 C ATOM 315 CE LYS A 22 11.210 -7.712 11.727 1.00 0.00 C ATOM 316 NZ LYS A 22 10.703 -6.434 12.301 1.00 0.00 N ATOM 0 H LYS A 22 10.197 -9.809 7.819 1.00 0.00 H new ATOM 0 HA LYS A 22 11.092 -7.763 7.537 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.598 -9.390 8.129 1.00 0.00 H new ATOM 0 HB3 LYS A 22 13.458 -7.654 8.321 1.00 0.00 H new ATOM 0 HG2 LYS A 22 11.694 -9.637 9.797 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.203 -9.024 10.443 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.313 -6.683 10.199 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.786 -7.347 9.654 1.00 0.00 H new ATOM 0 HE2 LYS A 22 10.429 -8.470 11.783 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.047 -8.072 12.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.410 -6.588 13.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.456 -5.717 12.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.888 -6.103 11.746 1.00 0.00 H new ATOM 330 N ARG A 23 11.597 -8.409 4.888 1.00 0.00 N ATOM 331 CA ARG A 23 12.056 -8.165 3.526 1.00 0.00 C ATOM 332 C ARG A 23 10.901 -7.722 2.633 1.00 0.00 C ATOM 333 O ARG A 23 9.756 -8.126 2.838 1.00 0.00 O ATOM 334 CB ARG A 23 12.706 -9.425 2.950 1.00 0.00 C ATOM 335 CG ARG A 23 11.709 -10.512 2.585 1.00 0.00 C ATOM 336 CD ARG A 23 12.400 -11.846 2.350 1.00 0.00 C ATOM 337 NE ARG A 23 13.408 -11.762 1.297 1.00 0.00 N ATOM 338 CZ ARG A 23 14.284 -12.727 1.040 1.00 0.00 C ATOM 339 NH1 ARG A 23 14.275 -13.843 1.756 1.00 0.00 N ATOM 340 NH2 ARG A 23 15.172 -12.576 0.065 1.00 0.00 N ATOM 0 H ARG A 23 10.618 -8.687 4.959 1.00 0.00 H new ATOM 0 HA ARG A 23 12.795 -7.365 3.557 1.00 0.00 H new ATOM 0 HB2 ARG A 23 13.278 -9.155 2.062 1.00 0.00 H new ATOM 0 HB3 ARG A 23 13.414 -9.823 3.677 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.975 -10.617 3.384 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.164 -10.220 1.687 1.00 0.00 H new ATOM 0 HD2 ARG A 23 12.870 -12.179 3.276 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.657 -12.597 2.081 1.00 0.00 H new ATOM 0 HE ARG A 23 13.441 -10.916 0.728 1.00 0.00 H new ATOM 0 HH11 ARG A 23 13.594 -13.962 2.506 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.949 -14.582 1.557 1.00 0.00 H new ATOM 0 HH21 ARG A 23 15.182 -11.719 -0.487 1.00 0.00 H new ATOM 0 HH22 ARG A 23 15.844 -13.317 -0.132 1.00 0.00 H new ATOM 354 N TRP A 24 11.209 -6.891 1.645 1.00 0.00 N ATOM 355 CA TRP A 24 10.196 -6.393 0.721 1.00 0.00 C ATOM 356 C TRP A 24 9.675 -7.514 -0.172 1.00 0.00 C ATOM 357 O TRP A 24 10.399 -8.031 -1.023 1.00 0.00 O ATOM 358 CB TRP A 24 10.770 -5.265 -0.138 1.00 0.00 C ATOM 359 CG TRP A 24 11.169 -4.058 0.656 1.00 0.00 C ATOM 360 CD1 TRP A 24 12.391 -3.810 1.212 1.00 0.00 C ATOM 361 CD2 TRP A 24 10.342 -2.936 0.983 1.00 0.00 C ATOM 362 NE1 TRP A 24 12.373 -2.601 1.866 1.00 0.00 N ATOM 363 CE2 TRP A 24 11.128 -2.044 1.739 1.00 0.00 C ATOM 364 CE3 TRP A 24 9.014 -2.596 0.709 1.00 0.00 C ATOM 365 CZ2 TRP A 24 10.629 -0.839 2.223 1.00 0.00 C ATOM 366 CZ3 TRP A 24 8.520 -1.399 1.190 1.00 0.00 C ATOM 367 CH2 TRP A 24 9.326 -0.531 1.940 1.00 0.00 C ATOM 0 H TRP A 24 12.152 -6.547 1.462 1.00 0.00 H new ATOM 0 HA TRP A 24 9.364 -6.005 1.308 1.00 0.00 H new ATOM 0 HB2 TRP A 24 11.639 -5.637 -0.681 1.00 0.00 H new ATOM 0 HB3 TRP A 24 10.030 -4.973 -0.883 1.00 0.00 H new ATOM 0 HD1 TRP A 24 13.246 -4.467 1.148 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.160 -2.186 2.365 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.385 -3.258 0.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 11.248 -0.170 2.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 7.495 -1.127 0.985 1.00 0.00 H new ATOM 0 HH2 TRP A 24 8.911 0.398 2.301 1.00 0.00 H new ATOM 378 N LYS A 25 8.415 -7.886 0.027 1.00 0.00 N ATOM 379 CA LYS A 25 7.796 -8.945 -0.761 1.00 0.00 C ATOM 380 C LYS A 25 6.665 -8.392 -1.622 1.00 0.00 C ATOM 381 O LYS A 25 5.779 -7.694 -1.128 1.00 0.00 O ATOM 382 CB LYS A 25 7.261 -10.046 0.158 1.00 0.00 C ATOM 383 CG LYS A 25 6.041 -9.628 0.960 1.00 0.00 C ATOM 384 CD LYS A 25 5.535 -10.762 1.837 1.00 0.00 C ATOM 385 CE LYS A 25 5.229 -12.006 1.018 1.00 0.00 C ATOM 386 NZ LYS A 25 4.371 -12.966 1.766 1.00 0.00 N ATOM 0 H LYS A 25 7.802 -7.469 0.728 1.00 0.00 H new ATOM 0 HA LYS A 25 8.556 -9.367 -1.418 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.008 -10.919 -0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.051 -10.350 0.845 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.291 -8.769 1.583 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.249 -9.311 0.281 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.282 -10.999 2.595 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.636 -10.442 2.364 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.730 -11.718 0.093 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.162 -12.495 0.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.185 -13.800 1.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.858 -13.261 2.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.470 -12.508 2.011 1.00 0.00 H new ATOM 400 N LYS A 26 6.700 -8.710 -2.912 1.00 0.00 N ATOM 401 CA LYS A 26 5.677 -8.248 -3.842 1.00 0.00 C ATOM 402 C LYS A 26 4.299 -8.759 -3.433 1.00 0.00 C ATOM 403 O LYS A 26 4.117 -9.950 -3.186 1.00 0.00 O ATOM 404 CB LYS A 26 6.003 -8.712 -5.263 1.00 0.00 C ATOM 405 CG LYS A 26 5.501 -7.768 -6.342 1.00 0.00 C ATOM 406 CD LYS A 26 6.392 -7.803 -7.572 1.00 0.00 C ATOM 407 CE LYS A 26 5.947 -8.876 -8.553 1.00 0.00 C ATOM 408 NZ LYS A 26 4.783 -8.433 -9.369 1.00 0.00 N ATOM 0 H LYS A 26 7.426 -9.286 -3.337 1.00 0.00 H new ATOM 0 HA LYS A 26 5.664 -7.158 -3.816 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.083 -8.821 -5.362 1.00 0.00 H new ATOM 0 HB3 LYS A 26 5.567 -9.698 -5.423 1.00 0.00 H new ATOM 0 HG2 LYS A 26 4.483 -8.041 -6.621 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.462 -6.752 -5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.374 -6.830 -8.063 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.423 -7.989 -7.271 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.776 -9.132 -9.212 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.684 -9.781 -8.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.585 -9.142 -10.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.950 -8.327 -8.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.001 -7.520 -9.818 1.00 0.00 H new ATOM 422 N ASN A 27 3.332 -7.850 -3.365 1.00 0.00 N ATOM 423 CA ASN A 27 1.970 -8.209 -2.987 1.00 0.00 C ATOM 424 C ASN A 27 0.956 -7.552 -3.918 1.00 0.00 C ATOM 425 O ASN A 27 1.309 -6.708 -4.742 1.00 0.00 O ATOM 426 CB ASN A 27 1.694 -7.795 -1.540 1.00 0.00 C ATOM 427 CG ASN A 27 2.619 -8.483 -0.555 1.00 0.00 C ATOM 428 OD1 ASN A 27 3.534 -7.866 -0.010 1.00 0.00 O ATOM 429 ND2 ASN A 27 2.385 -9.770 -0.323 1.00 0.00 N ATOM 0 H ASN A 27 3.466 -6.859 -3.567 1.00 0.00 H new ATOM 0 HA ASN A 27 1.869 -9.291 -3.074 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.807 -6.715 -1.446 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.660 -8.031 -1.289 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.975 -10.286 0.329 1.00 0.00 H new ATOM 0 HD22 ASN A 27 1.615 -10.242 -0.797 1.00 0.00 H new ATOM 436 N TRP A 28 -0.306 -7.945 -3.781 1.00 0.00 N ATOM 437 CA TRP A 28 -1.372 -7.393 -4.609 1.00 0.00 C ATOM 438 C TRP A 28 -2.328 -6.548 -3.775 1.00 0.00 C ATOM 439 O TRP A 28 -3.061 -7.070 -2.934 1.00 0.00 O ATOM 440 CB TRP A 28 -2.140 -8.519 -5.304 1.00 0.00 C ATOM 441 CG TRP A 28 -3.155 -8.025 -6.290 1.00 0.00 C ATOM 442 CD1 TRP A 28 -4.509 -8.198 -6.228 1.00 0.00 C ATOM 443 CD2 TRP A 28 -2.897 -7.281 -7.485 1.00 0.00 C ATOM 444 NE1 TRP A 28 -5.108 -7.605 -7.313 1.00 0.00 N ATOM 445 CE2 TRP A 28 -4.141 -7.035 -8.099 1.00 0.00 C ATOM 446 CE3 TRP A 28 -1.738 -6.796 -8.095 1.00 0.00 C ATOM 447 CZ2 TRP A 28 -4.255 -6.327 -9.292 1.00 0.00 C ATOM 448 CZ3 TRP A 28 -1.852 -6.093 -9.280 1.00 0.00 C ATOM 449 CH2 TRP A 28 -3.103 -5.863 -9.868 1.00 0.00 C ATOM 0 H TRP A 28 -0.615 -8.643 -3.105 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.917 -6.753 -5.364 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.432 -9.169 -5.817 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.642 -9.126 -4.550 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.031 -8.723 -5.442 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -6.110 -7.591 -7.503 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.770 -6.967 -7.649 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -5.218 -6.150 -9.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.962 -5.715 -9.761 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.159 -5.309 -10.793 1.00 0.00 H new ATOM 460 N PHE A 29 -2.316 -5.241 -4.012 1.00 0.00 N ATOM 461 CA PHE A 29 -3.182 -4.323 -3.281 1.00 0.00 C ATOM 462 C PHE A 29 -4.422 -3.977 -4.100 1.00 0.00 C ATOM 463 O PHE A 29 -4.411 -4.060 -5.328 1.00 0.00 O ATOM 464 CB PHE A 29 -2.421 -3.046 -2.922 1.00 0.00 C ATOM 465 CG PHE A 29 -1.414 -3.236 -1.824 1.00 0.00 C ATOM 466 CD1 PHE A 29 -0.163 -3.767 -2.098 1.00 0.00 C ATOM 467 CD2 PHE A 29 -1.718 -2.885 -0.519 1.00 0.00 C ATOM 468 CE1 PHE A 29 0.766 -3.943 -1.090 1.00 0.00 C ATOM 469 CE2 PHE A 29 -0.792 -3.059 0.493 1.00 0.00 C ATOM 470 CZ PHE A 29 0.451 -3.590 0.208 1.00 0.00 C ATOM 0 H PHE A 29 -1.716 -4.793 -4.705 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.501 -4.817 -2.363 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.911 -2.674 -3.811 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.135 -2.280 -2.620 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.088 -4.046 -3.111 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.689 -2.471 -0.289 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.738 -4.356 -1.317 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.041 -2.780 1.506 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.175 -3.729 0.998 1.00 0.00 H new ATOM 480 N ASP A 30 -5.490 -3.589 -3.411 1.00 0.00 N ATOM 481 CA ASP A 30 -6.738 -3.229 -4.073 1.00 0.00 C ATOM 482 C ASP A 30 -7.577 -2.311 -3.190 1.00 0.00 C ATOM 483 O ASP A 30 -8.070 -2.723 -2.139 1.00 0.00 O ATOM 484 CB ASP A 30 -7.535 -4.486 -4.424 1.00 0.00 C ATOM 485 CG ASP A 30 -6.814 -5.367 -5.426 1.00 0.00 C ATOM 486 OD1 ASP A 30 -6.418 -4.851 -6.492 1.00 0.00 O ATOM 487 OD2 ASP A 30 -6.647 -6.573 -5.145 1.00 0.00 O ATOM 0 H ASP A 30 -5.516 -3.516 -2.394 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.492 -2.695 -4.991 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -7.727 -5.056 -3.515 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -8.504 -4.197 -4.830 1.00 0.00 H new ATOM 492 N LEU A 31 -7.734 -1.064 -3.622 1.00 0.00 N ATOM 493 CA LEU A 31 -8.513 -0.086 -2.870 1.00 0.00 C ATOM 494 C LEU A 31 -9.983 -0.135 -3.272 1.00 0.00 C ATOM 495 O LEU A 31 -10.310 -0.279 -4.450 1.00 0.00 O ATOM 496 CB LEU A 31 -7.957 1.321 -3.097 1.00 0.00 C ATOM 497 CG LEU A 31 -8.524 2.420 -2.197 1.00 0.00 C ATOM 498 CD1 LEU A 31 -7.778 2.463 -0.873 1.00 0.00 C ATOM 499 CD2 LEU A 31 -8.454 3.770 -2.896 1.00 0.00 C ATOM 0 H LEU A 31 -7.332 -0.707 -4.489 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.437 -0.334 -1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.876 1.289 -2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.139 1.599 -4.135 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.570 2.193 -1.993 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.195 3.251 -0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.880 1.503 -0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.723 2.666 -1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.862 4.540 -2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.416 4.005 -3.130 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.034 3.733 -3.818 1.00 0.00 H new ATOM 511 N TRP A 32 -10.865 -0.014 -2.286 1.00 0.00 N ATOM 512 CA TRP A 32 -12.301 -0.042 -2.538 1.00 0.00 C ATOM 513 C TRP A 32 -12.850 1.369 -2.718 1.00 0.00 C ATOM 514 O TRP A 32 -12.127 2.352 -2.554 1.00 0.00 O ATOM 515 CB TRP A 32 -13.027 -0.742 -1.388 1.00 0.00 C ATOM 516 CG TRP A 32 -12.722 -2.207 -1.297 1.00 0.00 C ATOM 517 CD1 TRP A 32 -11.490 -2.793 -1.360 1.00 0.00 C ATOM 518 CD2 TRP A 32 -13.667 -3.270 -1.130 1.00 0.00 C ATOM 519 NE1 TRP A 32 -11.612 -4.157 -1.241 1.00 0.00 N ATOM 520 CE2 TRP A 32 -12.937 -4.474 -1.098 1.00 0.00 C ATOM 521 CE3 TRP A 32 -15.057 -3.322 -1.001 1.00 0.00 C ATOM 522 CZ2 TRP A 32 -13.552 -5.714 -0.945 1.00 0.00 C ATOM 523 CZ3 TRP A 32 -15.667 -4.553 -0.850 1.00 0.00 C ATOM 524 CH2 TRP A 32 -14.915 -5.735 -0.821 1.00 0.00 C ATOM 0 H TRP A 32 -10.611 0.104 -1.305 1.00 0.00 H new ATOM 0 HA TRP A 32 -12.472 -0.598 -3.460 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -12.752 -0.262 -0.449 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -14.102 -0.609 -1.512 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -10.557 -2.263 -1.485 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -10.841 -4.825 -1.257 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.645 -2.416 -1.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -12.974 -6.626 -0.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -16.741 -4.605 -0.753 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -15.421 -6.681 -0.698 1.00 0.00 H new ATOM 535 N SER A 33 -14.132 1.462 -3.055 1.00 0.00 N ATOM 536 CA SER A 33 -14.777 2.754 -3.261 1.00 0.00 C ATOM 537 C SER A 33 -15.086 3.425 -1.926 1.00 0.00 C ATOM 538 O SER A 33 -15.120 4.652 -1.829 1.00 0.00 O ATOM 539 CB SER A 33 -16.065 2.582 -4.069 1.00 0.00 C ATOM 540 OG SER A 33 -16.861 3.753 -4.014 1.00 0.00 O ATOM 0 H SER A 33 -14.745 0.658 -3.191 1.00 0.00 H new ATOM 0 HA SER A 33 -14.090 3.391 -3.818 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.820 2.353 -5.106 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.631 1.735 -3.681 1.00 0.00 H new ATOM 0 HG SER A 33 -17.677 3.619 -4.539 1.00 0.00 H new ATOM 546 N ASP A 34 -15.312 2.612 -0.900 1.00 0.00 N ATOM 547 CA ASP A 34 -15.617 3.125 0.430 1.00 0.00 C ATOM 548 C ASP A 34 -14.339 3.489 1.179 1.00 0.00 C ATOM 549 O ASP A 34 -14.386 3.990 2.301 1.00 0.00 O ATOM 550 CB ASP A 34 -16.414 2.093 1.228 1.00 0.00 C ATOM 551 CG ASP A 34 -16.996 2.670 2.503 1.00 0.00 C ATOM 552 OD1 ASP A 34 -17.601 3.761 2.439 1.00 0.00 O ATOM 553 OD2 ASP A 34 -16.848 2.030 3.565 1.00 0.00 O ATOM 0 H ASP A 34 -15.290 1.594 -0.964 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.218 4.027 0.315 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -17.221 1.703 0.608 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.767 1.251 1.476 1.00 0.00 H new ATOM 558 N GLY A 35 -13.196 3.233 0.549 1.00 0.00 N ATOM 559 CA GLY A 35 -11.921 3.539 1.171 1.00 0.00 C ATOM 560 C GLY A 35 -11.217 2.300 1.687 1.00 0.00 C ATOM 561 O GLY A 35 -9.993 2.286 1.826 1.00 0.00 O ATOM 0 H GLY A 35 -13.131 2.819 -0.381 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.279 4.044 0.449 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.080 4.233 1.996 1.00 0.00 H new ATOM 565 N HIS A 36 -11.990 1.258 1.975 1.00 0.00 N ATOM 566 CA HIS A 36 -11.432 0.009 2.481 1.00 0.00 C ATOM 567 C HIS A 36 -10.373 -0.539 1.528 1.00 0.00 C ATOM 568 O HIS A 36 -10.570 -0.563 0.312 1.00 0.00 O ATOM 569 CB HIS A 36 -12.540 -1.026 2.679 1.00 0.00 C ATOM 570 CG HIS A 36 -13.190 -0.956 4.027 1.00 0.00 C ATOM 571 ND1 HIS A 36 -14.469 -0.478 4.221 1.00 0.00 N ATOM 572 CD2 HIS A 36 -12.731 -1.309 5.250 1.00 0.00 C ATOM 573 CE1 HIS A 36 -14.768 -0.538 5.507 1.00 0.00 C ATOM 574 NE2 HIS A 36 -13.730 -1.039 6.153 1.00 0.00 N ATOM 0 H HIS A 36 -13.004 1.254 1.867 1.00 0.00 H new ATOM 0 HA HIS A 36 -10.960 0.214 3.442 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -13.300 -0.885 1.910 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -12.124 -2.023 2.536 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -11.760 -1.725 5.474 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -15.702 -0.230 5.954 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -13.679 -1.199 7.159 1.00 0.00 H new ATOM 583 N LEU A 37 -9.250 -0.976 2.087 1.00 0.00 N ATOM 584 CA LEU A 37 -8.160 -1.523 1.287 1.00 0.00 C ATOM 585 C LEU A 37 -7.896 -2.981 1.650 1.00 0.00 C ATOM 586 O LEU A 37 -7.758 -3.323 2.825 1.00 0.00 O ATOM 587 CB LEU A 37 -6.888 -0.697 1.490 1.00 0.00 C ATOM 588 CG LEU A 37 -5.595 -1.314 0.957 1.00 0.00 C ATOM 589 CD1 LEU A 37 -5.634 -1.407 -0.561 1.00 0.00 C ATOM 590 CD2 LEU A 37 -4.390 -0.503 1.412 1.00 0.00 C ATOM 0 H LEU A 37 -9.070 -0.962 3.091 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.453 -1.476 0.238 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.028 0.273 1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.766 -0.512 2.557 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.503 -2.322 1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.705 -1.849 -0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.475 -2.030 -0.866 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.750 -0.409 -0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.478 -0.957 1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.476 0.517 1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.352 -0.488 2.501 1.00 0.00 H new ATOM 602 N ILE A 38 -7.825 -3.835 0.634 1.00 0.00 N ATOM 603 CA ILE A 38 -7.574 -5.255 0.847 1.00 0.00 C ATOM 604 C ILE A 38 -6.498 -5.771 -0.102 1.00 0.00 C ATOM 605 O ILE A 38 -6.587 -5.589 -1.317 1.00 0.00 O ATOM 606 CB ILE A 38 -8.855 -6.088 0.654 1.00 0.00 C ATOM 607 CG1 ILE A 38 -10.027 -5.440 1.394 1.00 0.00 C ATOM 608 CG2 ILE A 38 -8.638 -7.513 1.139 1.00 0.00 C ATOM 609 CD1 ILE A 38 -11.341 -6.161 1.193 1.00 0.00 C ATOM 0 H ILE A 38 -7.938 -3.568 -0.344 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.231 -5.364 1.876 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.094 -6.119 -0.409 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -9.800 -5.406 2.459 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -10.133 -4.408 1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.552 -8.089 0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.828 -7.971 0.572 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.378 -7.501 2.198 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -12.127 -5.646 1.746 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.592 -6.172 0.132 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.253 -7.185 1.556 1.00 0.00 H new ATOM 621 N TYR A 39 -5.481 -6.416 0.459 1.00 0.00 N ATOM 622 CA TYR A 39 -4.387 -6.958 -0.337 1.00 0.00 C ATOM 623 C TYR A 39 -4.364 -8.482 -0.264 1.00 0.00 C ATOM 624 O TYR A 39 -4.860 -9.077 0.692 1.00 0.00 O ATOM 625 CB TYR A 39 -3.049 -6.393 0.145 1.00 0.00 C ATOM 626 CG TYR A 39 -3.002 -6.136 1.634 1.00 0.00 C ATOM 627 CD1 TYR A 39 -3.836 -5.195 2.224 1.00 0.00 C ATOM 628 CD2 TYR A 39 -2.123 -6.837 2.452 1.00 0.00 C ATOM 629 CE1 TYR A 39 -3.795 -4.957 3.584 1.00 0.00 C ATOM 630 CE2 TYR A 39 -2.076 -6.606 3.813 1.00 0.00 C ATOM 631 CZ TYR A 39 -2.914 -5.665 4.374 1.00 0.00 C ATOM 632 OH TYR A 39 -2.871 -5.431 5.730 1.00 0.00 O ATOM 0 H TYR A 39 -5.392 -6.576 1.462 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.545 -6.664 -1.375 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -2.253 -7.089 -0.120 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -2.846 -5.461 -0.383 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.529 -4.640 1.609 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.466 -7.575 2.016 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -4.449 -4.220 4.026 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.387 -7.159 4.434 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.667 -4.928 6.001 1.00 0.00 H new ATOM 642 N TYR A 40 -3.783 -9.107 -1.282 1.00 0.00 N ATOM 643 CA TYR A 40 -3.696 -10.561 -1.337 1.00 0.00 C ATOM 644 C TYR A 40 -2.246 -11.015 -1.481 1.00 0.00 C ATOM 645 O TYR A 40 -1.346 -10.200 -1.682 1.00 0.00 O ATOM 646 CB TYR A 40 -4.529 -11.100 -2.501 1.00 0.00 C ATOM 647 CG TYR A 40 -5.958 -10.608 -2.501 1.00 0.00 C ATOM 648 CD1 TYR A 40 -6.277 -9.339 -2.969 1.00 0.00 C ATOM 649 CD2 TYR A 40 -6.991 -11.413 -2.034 1.00 0.00 C ATOM 650 CE1 TYR A 40 -7.582 -8.885 -2.970 1.00 0.00 C ATOM 651 CE2 TYR A 40 -8.299 -10.968 -2.033 1.00 0.00 C ATOM 652 CZ TYR A 40 -8.589 -9.703 -2.501 1.00 0.00 C ATOM 653 OH TYR A 40 -9.890 -9.256 -2.502 1.00 0.00 O ATOM 0 H TYR A 40 -3.365 -8.629 -2.080 1.00 0.00 H new ATOM 0 HA TYR A 40 -4.091 -10.958 -0.402 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.055 -10.813 -3.440 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -4.529 -12.189 -2.463 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.491 -8.697 -3.338 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.767 -12.403 -1.666 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.812 -7.895 -3.336 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.090 -11.607 -1.668 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.476 -9.954 -2.141 1.00 0.00 H new ATOM 663 N ASP A 41 -2.029 -12.322 -1.378 1.00 0.00 N ATOM 664 CA ASP A 41 -0.690 -12.886 -1.498 1.00 0.00 C ATOM 665 C ASP A 41 -0.217 -12.859 -2.948 1.00 0.00 C ATOM 666 O ASP A 41 0.911 -12.460 -3.237 1.00 0.00 O ATOM 667 CB ASP A 41 -0.669 -14.321 -0.968 1.00 0.00 C ATOM 668 CG ASP A 41 0.736 -14.807 -0.671 1.00 0.00 C ATOM 669 OD1 ASP A 41 1.661 -14.449 -1.429 1.00 0.00 O ATOM 670 OD2 ASP A 41 0.910 -15.547 0.321 1.00 0.00 O ATOM 0 H ASP A 41 -2.763 -13.010 -1.212 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.011 -12.277 -0.902 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.270 -14.379 -0.061 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.132 -14.983 -1.700 1.00 0.00 H new ATOM 675 N ASP A 42 -1.087 -13.288 -3.857 1.00 0.00 N ATOM 676 CA ASP A 42 -0.759 -13.313 -5.277 1.00 0.00 C ATOM 677 C ASP A 42 -1.950 -12.864 -6.118 1.00 0.00 C ATOM 678 O ASP A 42 -3.012 -12.544 -5.585 1.00 0.00 O ATOM 679 CB ASP A 42 -0.323 -14.717 -5.697 1.00 0.00 C ATOM 680 CG ASP A 42 -1.042 -15.803 -4.921 1.00 0.00 C ATOM 681 OD1 ASP A 42 -2.074 -15.496 -4.290 1.00 0.00 O ATOM 682 OD2 ASP A 42 -0.571 -16.960 -4.943 1.00 0.00 O ATOM 0 H ASP A 42 -2.024 -13.623 -3.635 1.00 0.00 H new ATOM 0 HA ASP A 42 0.065 -12.619 -5.446 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -0.512 -14.850 -6.762 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.752 -14.820 -5.549 1.00 0.00 H new ATOM 687 N GLN A 43 -1.765 -12.843 -7.434 1.00 0.00 N ATOM 688 CA GLN A 43 -2.824 -12.431 -8.348 1.00 0.00 C ATOM 689 C GLN A 43 -4.046 -13.333 -8.206 1.00 0.00 C ATOM 690 O GLN A 43 -5.176 -12.907 -8.445 1.00 0.00 O ATOM 691 CB GLN A 43 -2.320 -12.459 -9.792 1.00 0.00 C ATOM 692 CG GLN A 43 -1.973 -13.853 -10.288 1.00 0.00 C ATOM 693 CD GLN A 43 -3.183 -14.607 -10.804 1.00 0.00 C ATOM 694 OE1 GLN A 43 -4.307 -14.106 -10.759 1.00 0.00 O ATOM 695 NE2 GLN A 43 -2.959 -15.819 -11.299 1.00 0.00 N ATOM 0 H GLN A 43 -0.892 -13.106 -7.891 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.115 -11.412 -8.092 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.082 -12.030 -10.443 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.438 -11.824 -9.873 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.231 -13.777 -11.083 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -1.515 -14.420 -9.477 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.011 -16.195 -11.317 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.735 -16.373 -11.661 1.00 0.00 H new ATOM 704 N THR A 44 -3.812 -14.582 -7.815 1.00 0.00 N ATOM 705 CA THR A 44 -4.893 -15.544 -7.642 1.00 0.00 C ATOM 706 C THR A 44 -5.933 -15.031 -6.654 1.00 0.00 C ATOM 707 O THR A 44 -7.078 -15.482 -6.653 1.00 0.00 O ATOM 708 CB THR A 44 -4.361 -16.904 -7.151 1.00 0.00 C ATOM 709 OG1 THR A 44 -3.559 -16.722 -5.979 1.00 0.00 O ATOM 710 CG2 THR A 44 -3.539 -17.587 -8.234 1.00 0.00 C ATOM 0 H THR A 44 -2.883 -14.951 -7.612 1.00 0.00 H new ATOM 0 HA THR A 44 -5.359 -15.675 -8.619 1.00 0.00 H new ATOM 0 HB THR A 44 -5.215 -17.538 -6.911 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.556 -15.775 -5.728 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.174 -18.545 -7.864 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.161 -17.751 -9.114 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.692 -16.955 -8.501 1.00 0.00 H new ATOM 718 N ARG A 45 -5.528 -14.084 -5.813 1.00 0.00 N ATOM 719 CA ARG A 45 -6.426 -13.510 -4.819 1.00 0.00 C ATOM 720 C ARG A 45 -7.184 -14.605 -4.074 1.00 0.00 C ATOM 721 O ARG A 45 -8.387 -14.491 -3.842 1.00 0.00 O ATOM 722 CB ARG A 45 -7.415 -12.553 -5.486 1.00 0.00 C ATOM 723 CG ARG A 45 -6.800 -11.222 -5.886 1.00 0.00 C ATOM 724 CD ARG A 45 -7.837 -10.288 -6.490 1.00 0.00 C ATOM 725 NE ARG A 45 -7.942 -10.448 -7.938 1.00 0.00 N ATOM 726 CZ ARG A 45 -8.895 -9.885 -8.672 1.00 0.00 C ATOM 727 NH1 ARG A 45 -9.819 -9.127 -8.098 1.00 0.00 N ATOM 728 NH2 ARG A 45 -8.923 -10.078 -9.985 1.00 0.00 N ATOM 0 H ARG A 45 -4.584 -13.699 -5.801 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.824 -12.955 -4.099 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -7.830 -13.033 -6.372 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.246 -12.369 -4.805 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.350 -10.751 -5.012 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.999 -11.392 -6.605 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.808 -10.480 -6.033 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.574 -9.256 -6.258 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.245 -11.023 -8.411 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.799 -8.975 -7.090 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.549 -8.696 -8.665 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.213 -10.659 -10.430 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.655 -9.646 -10.549 1.00 0.00 H new ATOM 742 N GLN A 46 -6.472 -15.664 -3.704 1.00 0.00 N ATOM 743 CA GLN A 46 -7.078 -16.779 -2.987 1.00 0.00 C ATOM 744 C GLN A 46 -6.722 -16.732 -1.505 1.00 0.00 C ATOM 745 O GLN A 46 -7.431 -17.290 -0.668 1.00 0.00 O ATOM 746 CB GLN A 46 -6.623 -18.109 -3.591 1.00 0.00 C ATOM 747 CG GLN A 46 -7.220 -18.392 -4.960 1.00 0.00 C ATOM 748 CD GLN A 46 -6.989 -19.819 -5.414 1.00 0.00 C ATOM 749 OE1 GLN A 46 -6.097 -20.505 -4.914 1.00 0.00 O ATOM 750 NE2 GLN A 46 -7.794 -20.276 -6.366 1.00 0.00 N ATOM 0 H GLN A 46 -5.475 -15.773 -3.889 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.160 -16.695 -3.084 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.536 -18.109 -3.671 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.893 -18.918 -2.912 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.291 -18.192 -4.933 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.786 -17.708 -5.690 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.520 -19.673 -6.753 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -7.686 -21.230 -6.711 1.00 0.00 H new ATOM 759 N SER A 47 -5.619 -16.062 -1.187 1.00 0.00 N ATOM 760 CA SER A 47 -5.166 -15.945 0.194 1.00 0.00 C ATOM 761 C SER A 47 -5.168 -14.488 0.645 1.00 0.00 C ATOM 762 O SER A 47 -4.194 -13.762 0.440 1.00 0.00 O ATOM 763 CB SER A 47 -3.763 -16.535 0.344 1.00 0.00 C ATOM 764 OG SER A 47 -3.563 -17.050 1.650 1.00 0.00 O ATOM 0 H SER A 47 -5.022 -15.592 -1.868 1.00 0.00 H new ATOM 0 HA SER A 47 -5.857 -16.503 0.826 1.00 0.00 H new ATOM 0 HB2 SER A 47 -3.618 -17.328 -0.389 1.00 0.00 H new ATOM 0 HB3 SER A 47 -3.018 -15.768 0.134 1.00 0.00 H new ATOM 0 HG SER A 47 -2.659 -17.423 1.720 1.00 0.00 H new ATOM 770 N ILE A 48 -6.268 -14.067 1.259 1.00 0.00 N ATOM 771 CA ILE A 48 -6.397 -12.697 1.740 1.00 0.00 C ATOM 772 C ILE A 48 -5.316 -12.370 2.765 1.00 0.00 C ATOM 773 O ILE A 48 -5.351 -12.857 3.894 1.00 0.00 O ATOM 774 CB ILE A 48 -7.780 -12.450 2.373 1.00 0.00 C ATOM 775 CG1 ILE A 48 -8.884 -12.655 1.334 1.00 0.00 C ATOM 776 CG2 ILE A 48 -7.851 -11.049 2.960 1.00 0.00 C ATOM 777 CD1 ILE A 48 -10.225 -13.008 1.938 1.00 0.00 C ATOM 0 H ILE A 48 -7.083 -14.655 1.435 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.282 -12.046 0.873 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.928 -13.168 3.179 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.989 -11.745 0.743 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.584 -13.447 0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.834 -10.890 3.403 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.084 -10.936 3.727 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.686 -10.315 2.171 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -10.959 -13.138 1.143 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -10.136 -13.934 2.505 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -10.548 -12.206 2.602 1.00 0.00 H new ATOM 789 N GLU A 49 -4.359 -11.540 2.363 1.00 0.00 N ATOM 790 CA GLU A 49 -3.268 -11.147 3.247 1.00 0.00 C ATOM 791 C GLU A 49 -3.803 -10.444 4.492 1.00 0.00 C ATOM 792 O GLU A 49 -3.596 -10.904 5.615 1.00 0.00 O ATOM 793 CB GLU A 49 -2.290 -10.230 2.511 1.00 0.00 C ATOM 794 CG GLU A 49 -1.176 -10.977 1.796 1.00 0.00 C ATOM 795 CD GLU A 49 -0.060 -11.397 2.732 1.00 0.00 C ATOM 796 OE1 GLU A 49 -0.365 -11.828 3.864 1.00 0.00 O ATOM 797 OE2 GLU A 49 1.119 -11.295 2.333 1.00 0.00 O ATOM 0 H GLU A 49 -4.317 -11.127 1.431 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.743 -12.050 3.558 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.841 -9.634 1.784 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.849 -9.534 3.225 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.590 -11.861 1.311 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.766 -10.344 1.009 1.00 0.00 H new ATOM 804 N ASP A 50 -4.491 -9.327 4.283 1.00 0.00 N ATOM 805 CA ASP A 50 -5.057 -8.560 5.386 1.00 0.00 C ATOM 806 C ASP A 50 -5.963 -7.448 4.867 1.00 0.00 C ATOM 807 O ASP A 50 -5.924 -7.101 3.687 1.00 0.00 O ATOM 808 CB ASP A 50 -3.941 -7.965 6.247 1.00 0.00 C ATOM 809 CG ASP A 50 -3.518 -8.893 7.369 1.00 0.00 C ATOM 810 OD1 ASP A 50 -4.356 -9.179 8.249 1.00 0.00 O ATOM 811 OD2 ASP A 50 -2.349 -9.332 7.367 1.00 0.00 O ATOM 0 H ASP A 50 -4.670 -8.933 3.360 1.00 0.00 H new ATOM 0 HA ASP A 50 -5.656 -9.236 5.996 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.079 -7.744 5.618 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.278 -7.018 6.670 1.00 0.00 H new ATOM 816 N LYS A 51 -6.780 -6.894 5.756 1.00 0.00 N ATOM 817 CA LYS A 51 -7.697 -5.821 5.389 1.00 0.00 C ATOM 818 C LYS A 51 -7.524 -4.619 6.312 1.00 0.00 C ATOM 819 O LYS A 51 -7.427 -4.767 7.530 1.00 0.00 O ATOM 820 CB LYS A 51 -9.144 -6.317 5.446 1.00 0.00 C ATOM 821 CG LYS A 51 -10.172 -5.203 5.363 1.00 0.00 C ATOM 822 CD LYS A 51 -11.537 -5.667 5.842 1.00 0.00 C ATOM 823 CE LYS A 51 -12.363 -6.244 4.702 1.00 0.00 C ATOM 824 NZ LYS A 51 -13.555 -6.985 5.200 1.00 0.00 N ATOM 0 H LYS A 51 -6.826 -7.170 6.737 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.465 -5.511 4.370 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -9.312 -7.017 4.627 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.294 -6.870 6.373 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.842 -4.357 5.966 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.247 -4.852 4.334 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.414 -6.420 6.620 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.070 -4.829 6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -12.686 -5.438 4.043 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.742 -6.913 4.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.091 -7.362 4.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.247 -7.770 5.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.161 -6.341 5.747 1.00 0.00 H new ATOM 838 N VAL A 52 -7.488 -3.428 5.723 1.00 0.00 N ATOM 839 CA VAL A 52 -7.330 -2.199 6.492 1.00 0.00 C ATOM 840 C VAL A 52 -7.998 -1.022 5.790 1.00 0.00 C ATOM 841 O VAL A 52 -7.928 -0.892 4.568 1.00 0.00 O ATOM 842 CB VAL A 52 -5.843 -1.869 6.723 1.00 0.00 C ATOM 843 CG1 VAL A 52 -5.679 -0.421 7.159 1.00 0.00 C ATOM 844 CG2 VAL A 52 -5.241 -2.816 7.750 1.00 0.00 C ATOM 0 H VAL A 52 -7.566 -3.288 4.716 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.812 -2.364 7.456 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.308 -2.002 5.783 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.622 -0.206 7.317 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.071 0.239 6.385 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.226 -0.256 8.087 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.190 -2.569 7.901 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.776 -2.717 8.694 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.324 -3.842 7.392 1.00 0.00 H new ATOM 854 N HIS A 53 -8.646 -0.164 6.572 1.00 0.00 N ATOM 855 CA HIS A 53 -9.326 1.005 6.026 1.00 0.00 C ATOM 856 C HIS A 53 -8.364 2.182 5.897 1.00 0.00 C ATOM 857 O HIS A 53 -7.257 2.153 6.434 1.00 0.00 O ATOM 858 CB HIS A 53 -10.510 1.393 6.913 1.00 0.00 C ATOM 859 CG HIS A 53 -11.675 1.944 6.150 1.00 0.00 C ATOM 860 ND1 HIS A 53 -12.880 2.261 6.741 1.00 0.00 N ATOM 861 CD2 HIS A 53 -11.814 2.235 4.835 1.00 0.00 C ATOM 862 CE1 HIS A 53 -13.710 2.722 5.823 1.00 0.00 C ATOM 863 NE2 HIS A 53 -13.088 2.717 4.658 1.00 0.00 N ATOM 0 H HIS A 53 -8.714 -0.256 7.585 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.695 0.750 5.033 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -10.835 0.517 7.474 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.180 2.134 7.641 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -11.063 2.111 4.068 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -14.725 3.048 5.996 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -13.489 3.022 3.771 1.00 0.00 H new ATOM 872 N MET A 54 -8.795 3.216 5.182 1.00 0.00 N ATOM 873 CA MET A 54 -7.972 4.403 4.983 1.00 0.00 C ATOM 874 C MET A 54 -8.459 5.555 5.856 1.00 0.00 C ATOM 875 O MET A 54 -7.809 5.949 6.825 1.00 0.00 O ATOM 876 CB MET A 54 -7.988 4.821 3.511 1.00 0.00 C ATOM 877 CG MET A 54 -6.814 4.280 2.712 1.00 0.00 C ATOM 878 SD MET A 54 -5.225 4.874 3.324 1.00 0.00 S ATOM 879 CE MET A 54 -5.308 6.602 2.860 1.00 0.00 C ATOM 0 H MET A 54 -9.709 3.256 4.731 1.00 0.00 H new ATOM 0 HA MET A 54 -6.950 4.158 5.272 1.00 0.00 H new ATOM 0 HB2 MET A 54 -8.916 4.478 3.055 1.00 0.00 H new ATOM 0 HB3 MET A 54 -7.987 5.909 3.451 1.00 0.00 H new ATOM 0 HG2 MET A 54 -6.828 3.191 2.746 1.00 0.00 H new ATOM 0 HG3 MET A 54 -6.927 4.568 1.667 1.00 0.00 H new ATOM 0 HE1 MET A 54 -4.314 6.951 2.579 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.986 6.720 2.015 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.674 7.188 3.703 1.00 0.00 H new ATOM 889 N PRO A 55 -9.629 6.109 5.507 1.00 0.00 N ATOM 890 CA PRO A 55 -10.229 7.224 6.247 1.00 0.00 C ATOM 891 C PRO A 55 -10.727 6.803 7.626 1.00 0.00 C ATOM 892 O PRO A 55 -11.311 7.603 8.356 1.00 0.00 O ATOM 893 CB PRO A 55 -11.403 7.647 5.361 1.00 0.00 C ATOM 894 CG PRO A 55 -11.752 6.425 4.585 1.00 0.00 C ATOM 895 CD PRO A 55 -10.458 5.691 4.364 1.00 0.00 C ATOM 0 HA PRO A 55 -9.510 8.022 6.435 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.247 7.990 5.959 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.125 8.469 4.701 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -12.463 5.806 5.131 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.220 6.686 3.636 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.606 4.611 4.349 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.999 5.963 3.414 1.00 0.00 H new ATOM 903 N VAL A 56 -10.491 5.543 7.976 1.00 0.00 N ATOM 904 CA VAL A 56 -10.914 5.017 9.268 1.00 0.00 C ATOM 905 C VAL A 56 -9.727 4.477 10.057 1.00 0.00 C ATOM 906 O VAL A 56 -9.584 4.753 11.249 1.00 0.00 O ATOM 907 CB VAL A 56 -11.959 3.896 9.103 1.00 0.00 C ATOM 908 CG1 VAL A 56 -12.091 3.096 10.389 1.00 0.00 C ATOM 909 CG2 VAL A 56 -13.301 4.477 8.686 1.00 0.00 C ATOM 0 H VAL A 56 -10.009 4.867 7.383 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.364 5.846 9.815 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.622 3.221 8.317 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.833 2.309 10.254 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -11.129 2.648 10.639 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.406 3.756 11.197 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -14.027 3.672 8.574 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -13.648 5.175 9.448 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.191 5.001 7.737 1.00 0.00 H new ATOM 919 N ASP A 57 -8.878 3.707 9.386 1.00 0.00 N ATOM 920 CA ASP A 57 -7.701 3.130 10.024 1.00 0.00 C ATOM 921 C ASP A 57 -6.477 4.016 9.811 1.00 0.00 C ATOM 922 O ASP A 57 -5.687 4.231 10.731 1.00 0.00 O ATOM 923 CB ASP A 57 -7.432 1.728 9.474 1.00 0.00 C ATOM 924 CG ASP A 57 -8.089 0.644 10.306 1.00 0.00 C ATOM 925 OD1 ASP A 57 -9.264 0.821 10.689 1.00 0.00 O ATOM 926 OD2 ASP A 57 -7.428 -0.381 10.575 1.00 0.00 O ATOM 0 H ASP A 57 -8.983 3.468 8.400 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.896 3.061 11.094 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.797 1.667 8.449 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.356 1.554 9.440 1.00 0.00 H new ATOM 931 N CYS A 58 -6.328 4.527 8.594 1.00 0.00 N ATOM 932 CA CYS A 58 -5.199 5.388 8.260 1.00 0.00 C ATOM 933 C CYS A 58 -5.497 6.839 8.623 1.00 0.00 C ATOM 934 O CYS A 58 -6.571 7.359 8.315 1.00 0.00 O ATOM 935 CB CYS A 58 -4.871 5.279 6.770 1.00 0.00 C ATOM 936 SG CYS A 58 -3.630 6.463 6.199 1.00 0.00 S ATOM 0 H CYS A 58 -6.974 4.360 7.823 1.00 0.00 H new ATOM 0 HA CYS A 58 -4.337 5.057 8.839 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.518 4.269 6.559 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -5.786 5.423 6.196 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.683 6.559 7.084 1.00 0.00 H new ATOM 942 N ILE A 59 -4.541 7.488 9.279 1.00 0.00 N ATOM 943 CA ILE A 59 -4.702 8.879 9.684 1.00 0.00 C ATOM 944 C ILE A 59 -3.689 9.777 8.981 1.00 0.00 C ATOM 945 O ILE A 59 -3.921 10.972 8.807 1.00 0.00 O ATOM 946 CB ILE A 59 -4.546 9.043 11.208 1.00 0.00 C ATOM 947 CG1 ILE A 59 -3.340 8.246 11.708 1.00 0.00 C ATOM 948 CG2 ILE A 59 -5.815 8.599 11.920 1.00 0.00 C ATOM 949 CD1 ILE A 59 -2.789 8.747 13.024 1.00 0.00 C ATOM 0 H ILE A 59 -3.647 7.073 9.541 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.710 9.177 9.396 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.378 10.097 11.431 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.626 7.200 11.818 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.552 8.284 10.956 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.690 8.721 12.996 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.654 9.207 11.581 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.012 7.551 11.694 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.936 8.135 13.318 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.472 9.784 12.914 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.562 8.683 13.790 1.00 0.00 H new ATOM 961 N ASN A 60 -2.567 9.191 8.579 1.00 0.00 N ATOM 962 CA ASN A 60 -1.518 9.937 7.893 1.00 0.00 C ATOM 963 C ASN A 60 -0.788 9.052 6.888 1.00 0.00 C ATOM 964 O ASN A 60 -0.797 7.826 7.004 1.00 0.00 O ATOM 965 CB ASN A 60 -0.522 10.506 8.906 1.00 0.00 C ATOM 966 CG ASN A 60 0.357 11.587 8.308 1.00 0.00 C ATOM 967 OD1 ASN A 60 -0.133 12.525 7.679 1.00 0.00 O ATOM 968 ND2 ASN A 60 1.665 11.459 8.501 1.00 0.00 N ATOM 0 H ASN A 60 -2.360 8.202 8.716 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.987 10.759 7.352 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.067 10.914 9.757 1.00 0.00 H new ATOM 0 HB3 ASN A 60 0.106 9.700 9.286 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.307 12.155 8.121 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.027 10.665 9.029 1.00 0.00 H new ATOM 975 N ILE A 61 -0.156 9.681 5.903 1.00 0.00 N ATOM 976 CA ILE A 61 0.580 8.950 4.879 1.00 0.00 C ATOM 977 C ILE A 61 1.988 9.511 4.709 1.00 0.00 C ATOM 978 O ILE A 61 2.168 10.625 4.215 1.00 0.00 O ATOM 979 CB ILE A 61 -0.146 8.997 3.522 1.00 0.00 C ATOM 980 CG1 ILE A 61 -1.594 8.525 3.677 1.00 0.00 C ATOM 981 CG2 ILE A 61 0.588 8.144 2.498 1.00 0.00 C ATOM 982 CD1 ILE A 61 -2.488 8.932 2.527 1.00 0.00 C ATOM 0 H ILE A 61 -0.139 10.695 5.792 1.00 0.00 H new ATOM 0 HA ILE A 61 0.641 7.914 5.213 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.155 10.028 3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.606 7.439 3.769 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.002 8.928 4.604 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.062 8.188 1.544 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.603 8.521 2.371 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.626 7.111 2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.499 8.564 2.704 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.506 10.019 2.447 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.104 8.507 1.600 1.00 0.00 H new ATOM 994 N ARG A 62 2.983 8.731 5.118 1.00 0.00 N ATOM 995 CA ARG A 62 4.375 9.150 5.011 1.00 0.00 C ATOM 996 C ARG A 62 5.009 8.608 3.732 1.00 0.00 C ATOM 997 O ARG A 62 4.958 7.408 3.461 1.00 0.00 O ATOM 998 CB ARG A 62 5.169 8.671 6.228 1.00 0.00 C ATOM 999 CG ARG A 62 4.768 9.355 7.525 1.00 0.00 C ATOM 1000 CD ARG A 62 5.452 8.719 8.725 1.00 0.00 C ATOM 1001 NE ARG A 62 4.880 9.178 9.988 1.00 0.00 N ATOM 1002 CZ ARG A 62 5.137 8.610 11.160 1.00 0.00 C ATOM 1003 NH1 ARG A 62 5.953 7.568 11.231 1.00 0.00 N ATOM 1004 NH2 ARG A 62 4.578 9.086 12.266 1.00 0.00 N ATOM 0 H ARG A 62 2.851 7.806 5.526 1.00 0.00 H new ATOM 0 HA ARG A 62 4.399 10.239 4.975 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.035 7.595 6.338 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.230 8.843 6.049 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.027 10.412 7.475 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.687 9.298 7.649 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.364 7.635 8.660 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.516 8.954 8.702 1.00 0.00 H new ATOM 0 HE ARG A 62 4.249 9.979 9.968 1.00 0.00 H new ATOM 0 HH11 ARG A 62 6.386 7.200 10.384 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.148 7.134 12.133 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.951 9.889 12.216 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.776 8.649 13.166 1.00 0.00 H new ATOM 1018 N THR A 63 5.604 9.502 2.949 1.00 0.00 N ATOM 1019 CA THR A 63 6.246 9.115 1.699 1.00 0.00 C ATOM 1020 C THR A 63 7.543 9.886 1.485 1.00 0.00 C ATOM 1021 O THR A 63 7.683 11.023 1.934 1.00 0.00 O ATOM 1022 CB THR A 63 5.316 9.353 0.493 1.00 0.00 C ATOM 1023 OG1 THR A 63 5.029 10.750 0.365 1.00 0.00 O ATOM 1024 CG2 THR A 63 4.018 8.576 0.650 1.00 0.00 C ATOM 0 H THR A 63 5.655 10.499 3.158 1.00 0.00 H new ATOM 0 HA THR A 63 6.468 8.050 1.774 1.00 0.00 H new ATOM 0 HB THR A 63 5.824 9.003 -0.405 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.723 10.939 -0.547 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.378 8.759 -0.213 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.238 7.511 0.719 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.507 8.900 1.557 1.00 0.00 H new ATOM 1032 N GLY A 64 8.492 9.260 0.795 1.00 0.00 N ATOM 1033 CA GLY A 64 9.766 9.903 0.533 1.00 0.00 C ATOM 1034 C GLY A 64 10.652 9.955 1.761 1.00 0.00 C ATOM 1035 O GLY A 64 11.085 8.919 2.268 1.00 0.00 O ATOM 0 H GLY A 64 8.401 8.319 0.413 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.284 9.366 -0.262 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.591 10.916 0.172 1.00 0.00 H new ATOM 1039 N HIS A 65 10.925 11.164 2.242 1.00 0.00 N ATOM 1040 CA HIS A 65 11.768 11.347 3.418 1.00 0.00 C ATOM 1041 C HIS A 65 10.972 11.109 4.698 1.00 0.00 C ATOM 1042 O HIS A 65 11.538 10.774 5.738 1.00 0.00 O ATOM 1043 CB HIS A 65 12.366 12.754 3.430 1.00 0.00 C ATOM 1044 CG HIS A 65 13.083 13.110 2.164 1.00 0.00 C ATOM 1045 ND1 HIS A 65 14.292 12.553 1.803 1.00 0.00 N ATOM 1046 CD2 HIS A 65 12.755 13.970 1.173 1.00 0.00 C ATOM 1047 CE1 HIS A 65 14.677 13.058 0.644 1.00 0.00 C ATOM 1048 NE2 HIS A 65 13.762 13.920 0.240 1.00 0.00 N ATOM 0 H HIS A 65 10.575 12.031 1.835 1.00 0.00 H new ATOM 0 HA HIS A 65 12.577 10.618 3.372 1.00 0.00 H new ATOM 0 HB2 HIS A 65 11.569 13.477 3.602 1.00 0.00 H new ATOM 0 HB3 HIS A 65 13.059 12.838 4.267 1.00 0.00 H new ATOM 0 HD2 HIS A 65 11.867 14.582 1.124 1.00 0.00 H new ATOM 0 HE1 HIS A 65 15.586 12.808 0.117 1.00 0.00 H new ATOM 0 HE2 HIS A 65 13.797 14.461 -0.624 1.00 0.00 H new ATOM 1057 N GLU A 66 9.657 11.285 4.613 1.00 0.00 N ATOM 1058 CA GLU A 66 8.785 11.091 5.766 1.00 0.00 C ATOM 1059 C GLU A 66 9.112 9.784 6.482 1.00 0.00 C ATOM 1060 O GLU A 66 9.297 9.760 7.699 1.00 0.00 O ATOM 1061 CB GLU A 66 7.318 11.092 5.329 1.00 0.00 C ATOM 1062 CG GLU A 66 6.891 12.374 4.634 1.00 0.00 C ATOM 1063 CD GLU A 66 5.384 12.527 4.565 1.00 0.00 C ATOM 1064 OE1 GLU A 66 4.741 12.557 5.635 1.00 0.00 O ATOM 1065 OE2 GLU A 66 4.848 12.617 3.441 1.00 0.00 O ATOM 0 H GLU A 66 9.173 11.561 3.759 1.00 0.00 H new ATOM 0 HA GLU A 66 8.952 11.916 6.458 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.147 10.250 4.658 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.687 10.935 6.204 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.315 13.228 5.162 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.300 12.389 3.624 1.00 0.00 H new ATOM 1138 N GLN A 71 13.402 1.093 5.235 1.00 0.00 N ATOM 1139 CA GLN A 71 14.506 1.217 4.290 1.00 0.00 C ATOM 1140 C GLN A 71 14.095 0.729 2.905 1.00 0.00 C ATOM 1141 O GLN A 71 13.432 -0.297 2.753 1.00 0.00 O ATOM 1142 CB GLN A 71 15.719 0.426 4.784 1.00 0.00 C ATOM 1143 CG GLN A 71 16.613 -0.078 3.663 1.00 0.00 C ATOM 1144 CD GLN A 71 17.912 -0.670 4.174 1.00 0.00 C ATOM 1145 OE1 GLN A 71 17.924 -1.748 4.769 1.00 0.00 O ATOM 1146 NE2 GLN A 71 19.015 0.033 3.943 1.00 0.00 N ATOM 0 HA GLN A 71 14.773 2.271 4.219 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.307 1.057 5.451 1.00 0.00 H new ATOM 0 HB3 GLN A 71 15.373 -0.424 5.372 1.00 0.00 H new ATOM 0 HG2 GLN A 71 16.077 -0.832 3.087 1.00 0.00 H new ATOM 0 HG3 GLN A 71 16.836 0.744 2.983 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.959 0.922 3.446 1.00 0.00 H new ATOM 0 HE22 GLN A 71 19.919 -0.316 4.263 1.00 0.00 H new ATOM 1155 N PRO A 72 14.496 1.481 1.869 1.00 0.00 N ATOM 1156 CA PRO A 72 14.181 1.144 0.478 1.00 0.00 C ATOM 1157 C PRO A 72 14.931 -0.093 -0.003 1.00 0.00 C ATOM 1158 O PRO A 72 16.050 -0.376 0.425 1.00 0.00 O ATOM 1159 CB PRO A 72 14.637 2.382 -0.299 1.00 0.00 C ATOM 1160 CG PRO A 72 15.691 2.998 0.555 1.00 0.00 C ATOM 1161 CD PRO A 72 15.288 2.718 1.977 1.00 0.00 C ATOM 0 HA PRO A 72 13.126 0.905 0.345 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.030 2.112 -1.279 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.810 3.072 -0.466 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.670 2.571 0.336 1.00 0.00 H new ATOM 0 HG3 PRO A 72 15.763 4.070 0.374 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.156 2.584 2.622 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.702 3.535 2.397 1.00 0.00 H new ATOM 1169 N PRO A 73 14.303 -0.849 -0.916 1.00 0.00 N ATOM 1170 CA PRO A 73 14.894 -2.068 -1.477 1.00 0.00 C ATOM 1171 C PRO A 73 16.076 -1.771 -2.392 1.00 0.00 C ATOM 1172 O PRO A 73 16.628 -0.671 -2.372 1.00 0.00 O ATOM 1173 CB PRO A 73 13.742 -2.686 -2.273 1.00 0.00 C ATOM 1174 CG PRO A 73 12.862 -1.536 -2.621 1.00 0.00 C ATOM 1175 CD PRO A 73 12.968 -0.571 -1.473 1.00 0.00 C ATOM 0 HA PRO A 73 15.293 -2.722 -0.702 1.00 0.00 H new ATOM 0 HB2 PRO A 73 14.105 -3.191 -3.168 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.207 -3.429 -1.682 1.00 0.00 H new ATOM 0 HG2 PRO A 73 13.180 -1.070 -3.553 1.00 0.00 H new ATOM 0 HG3 PRO A 73 11.832 -1.862 -2.763 1.00 0.00 H new ATOM 0 HD2 PRO A 73 12.879 0.463 -1.807 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.183 -0.736 -0.736 1.00 0.00 H new ATOM 1183 N ASP A 74 16.460 -2.758 -3.194 1.00 0.00 N ATOM 1184 CA ASP A 74 17.576 -2.602 -4.119 1.00 0.00 C ATOM 1185 C ASP A 74 17.141 -1.853 -5.375 1.00 0.00 C ATOM 1186 O ASP A 74 16.036 -2.051 -5.877 1.00 0.00 O ATOM 1187 CB ASP A 74 18.148 -3.969 -4.498 1.00 0.00 C ATOM 1188 CG ASP A 74 19.099 -4.510 -3.449 1.00 0.00 C ATOM 1189 OD1 ASP A 74 20.194 -3.932 -3.287 1.00 0.00 O ATOM 1190 OD2 ASP A 74 18.749 -5.511 -2.790 1.00 0.00 O ATOM 0 H ASP A 74 16.014 -3.675 -3.222 1.00 0.00 H new ATOM 0 HA ASP A 74 18.350 -2.019 -3.620 1.00 0.00 H new ATOM 0 HB2 ASP A 74 17.330 -4.675 -4.641 1.00 0.00 H new ATOM 0 HB3 ASP A 74 18.671 -3.889 -5.451 1.00 0.00 H new ATOM 1195 N GLY A 75 18.019 -0.989 -5.877 1.00 0.00 N ATOM 1196 CA GLY A 75 17.707 -0.223 -7.069 1.00 0.00 C ATOM 1197 C GLY A 75 16.378 0.499 -6.963 1.00 0.00 C ATOM 1198 O GLY A 75 15.554 0.437 -7.875 1.00 0.00 O ATOM 0 H GLY A 75 18.940 -0.806 -5.479 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.499 0.504 -7.247 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.687 -0.890 -7.931 1.00 0.00 H new ATOM 1202 N LYS A 76 16.167 1.185 -5.844 1.00 0.00 N ATOM 1203 CA LYS A 76 14.929 1.922 -5.620 1.00 0.00 C ATOM 1204 C LYS A 76 15.173 3.138 -4.732 1.00 0.00 C ATOM 1205 O LYS A 76 15.664 3.027 -3.608 1.00 0.00 O ATOM 1206 CB LYS A 76 13.879 1.012 -4.980 1.00 0.00 C ATOM 1207 CG LYS A 76 13.190 0.087 -5.969 1.00 0.00 C ATOM 1208 CD LYS A 76 12.180 0.836 -6.822 1.00 0.00 C ATOM 1209 CE LYS A 76 11.097 -0.093 -7.349 1.00 0.00 C ATOM 1210 NZ LYS A 76 11.588 -0.935 -8.474 1.00 0.00 N ATOM 0 H LYS A 76 16.838 1.246 -5.078 1.00 0.00 H new ATOM 0 HA LYS A 76 14.561 2.268 -6.586 1.00 0.00 H new ATOM 0 HB2 LYS A 76 14.355 0.411 -4.205 1.00 0.00 H new ATOM 0 HB3 LYS A 76 13.127 1.629 -4.488 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.936 -0.380 -6.612 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.688 -0.715 -5.429 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.723 1.631 -6.233 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.691 1.312 -7.659 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.745 -0.735 -6.542 1.00 0.00 H new ATOM 0 HE3 LYS A 76 10.243 0.497 -7.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.821 -1.554 -8.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.901 -0.323 -9.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.386 -1.517 -8.149 1.00 0.00 H new ATOM 1224 N PRO A 77 14.821 4.326 -5.245 1.00 0.00 N ATOM 1225 CA PRO A 77 14.991 5.585 -4.513 1.00 0.00 C ATOM 1226 C PRO A 77 14.035 5.702 -3.331 1.00 0.00 C ATOM 1227 O PRO A 77 13.448 4.712 -2.895 1.00 0.00 O ATOM 1228 CB PRO A 77 14.674 6.652 -5.565 1.00 0.00 C ATOM 1229 CG PRO A 77 13.782 5.967 -6.542 1.00 0.00 C ATOM 1230 CD PRO A 77 14.230 4.532 -6.578 1.00 0.00 C ATOM 0 HA PRO A 77 15.988 5.674 -4.082 1.00 0.00 H new ATOM 0 HB2 PRO A 77 14.182 7.515 -5.117 1.00 0.00 H new ATOM 0 HB3 PRO A 77 15.582 7.016 -6.046 1.00 0.00 H new ATOM 0 HG2 PRO A 77 12.738 6.042 -6.237 1.00 0.00 H new ATOM 0 HG3 PRO A 77 13.859 6.425 -7.528 1.00 0.00 H new ATOM 0 HD2 PRO A 77 13.395 3.855 -6.756 1.00 0.00 H new ATOM 0 HD3 PRO A 77 14.957 4.358 -7.371 1.00 0.00 H new ATOM 1238 N ARG A 78 13.883 6.919 -2.817 1.00 0.00 N ATOM 1239 CA ARG A 78 12.998 7.164 -1.685 1.00 0.00 C ATOM 1240 C ARG A 78 11.645 7.689 -2.156 1.00 0.00 C ATOM 1241 O ARG A 78 10.630 7.512 -1.481 1.00 0.00 O ATOM 1242 CB ARG A 78 13.637 8.164 -0.719 1.00 0.00 C ATOM 1243 CG ARG A 78 14.485 7.512 0.360 1.00 0.00 C ATOM 1244 CD ARG A 78 15.125 8.549 1.269 1.00 0.00 C ATOM 1245 NE ARG A 78 16.396 8.085 1.820 1.00 0.00 N ATOM 1246 CZ ARG A 78 17.517 8.004 1.113 1.00 0.00 C ATOM 1247 NH1 ARG A 78 17.526 8.354 -0.165 1.00 0.00 N ATOM 1248 NH2 ARG A 78 18.634 7.572 1.686 1.00 0.00 N ATOM 0 H ARG A 78 14.361 7.749 -3.167 1.00 0.00 H new ATOM 0 HA ARG A 78 12.841 6.218 -1.167 1.00 0.00 H new ATOM 0 HB2 ARG A 78 14.257 8.859 -1.286 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.851 8.752 -0.245 1.00 0.00 H new ATOM 0 HG2 ARG A 78 13.866 6.839 0.953 1.00 0.00 H new ATOM 0 HG3 ARG A 78 15.262 6.904 -0.104 1.00 0.00 H new ATOM 0 HD2 ARG A 78 15.287 9.470 0.710 1.00 0.00 H new ATOM 0 HD3 ARG A 78 14.442 8.787 2.084 1.00 0.00 H new ATOM 0 HE ARG A 78 16.424 7.808 2.801 1.00 0.00 H new ATOM 0 HH11 ARG A 78 16.670 8.687 -0.609 1.00 0.00 H new ATOM 0 HH12 ARG A 78 18.389 8.291 -0.705 1.00 0.00 H new ATOM 0 HH21 ARG A 78 18.631 7.302 2.670 1.00 0.00 H new ATOM 0 HH22 ARG A 78 19.495 7.510 1.143 1.00 0.00 H new ATOM 1262 N ASP A 79 11.638 8.335 -3.317 1.00 0.00 N ATOM 1263 CA ASP A 79 10.410 8.885 -3.879 1.00 0.00 C ATOM 1264 C ASP A 79 9.407 7.777 -4.180 1.00 0.00 C ATOM 1265 O ASP A 79 8.211 8.032 -4.326 1.00 0.00 O ATOM 1266 CB ASP A 79 10.716 9.675 -5.153 1.00 0.00 C ATOM 1267 CG ASP A 79 11.922 9.133 -5.894 1.00 0.00 C ATOM 1268 OD1 ASP A 79 11.783 8.095 -6.574 1.00 0.00 O ATOM 1269 OD2 ASP A 79 13.006 9.746 -5.794 1.00 0.00 O ATOM 0 H ASP A 79 12.469 8.491 -3.887 1.00 0.00 H new ATOM 0 HA ASP A 79 9.971 9.557 -3.142 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.847 9.649 -5.811 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.890 10.720 -4.896 1.00 0.00 H new ATOM 1274 N CYS A 80 9.901 6.548 -4.274 1.00 0.00 N ATOM 1275 CA CYS A 80 9.047 5.400 -4.560 1.00 0.00 C ATOM 1276 C CYS A 80 8.639 4.692 -3.273 1.00 0.00 C ATOM 1277 O CYS A 80 8.168 3.554 -3.300 1.00 0.00 O ATOM 1278 CB CYS A 80 9.768 4.422 -5.489 1.00 0.00 C ATOM 1279 SG CYS A 80 11.303 3.751 -4.807 1.00 0.00 S ATOM 0 H CYS A 80 10.888 6.320 -4.156 1.00 0.00 H new ATOM 0 HA CYS A 80 8.146 5.762 -5.054 1.00 0.00 H new ATOM 0 HB2 CYS A 80 9.095 3.597 -5.723 1.00 0.00 H new ATOM 0 HB3 CYS A 80 9.991 4.927 -6.429 1.00 0.00 H new ATOM 0 HG CYS A 80 11.776 4.570 -3.915 1.00 0.00 H new ATOM 1285 N LEU A 81 8.823 5.371 -2.146 1.00 0.00 N ATOM 1286 CA LEU A 81 8.475 4.806 -0.847 1.00 0.00 C ATOM 1287 C LEU A 81 7.116 5.315 -0.378 1.00 0.00 C ATOM 1288 O LEU A 81 6.840 6.515 -0.426 1.00 0.00 O ATOM 1289 CB LEU A 81 9.547 5.154 0.187 1.00 0.00 C ATOM 1290 CG LEU A 81 10.873 4.403 0.058 1.00 0.00 C ATOM 1291 CD1 LEU A 81 11.773 4.700 1.247 1.00 0.00 C ATOM 1292 CD2 LEU A 81 10.628 2.907 -0.068 1.00 0.00 C ATOM 0 H LEU A 81 9.211 6.313 -2.106 1.00 0.00 H new ATOM 0 HA LEU A 81 8.420 3.723 -0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.750 6.223 0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.140 4.965 1.180 1.00 0.00 H new ATOM 0 HG LEU A 81 11.376 4.746 -0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.712 4.157 1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.976 5.770 1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.277 4.386 2.166 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.582 2.388 -0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.103 2.548 0.817 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.023 2.711 -0.953 1.00 0.00 H new ATOM 1304 N LEU A 82 6.270 4.397 0.076 1.00 0.00 N ATOM 1305 CA LEU A 82 4.940 4.753 0.557 1.00 0.00 C ATOM 1306 C LEU A 82 4.662 4.115 1.914 1.00 0.00 C ATOM 1307 O LEU A 82 4.988 2.951 2.141 1.00 0.00 O ATOM 1308 CB LEU A 82 3.877 4.315 -0.452 1.00 0.00 C ATOM 1309 CG LEU A 82 2.460 4.830 -0.201 1.00 0.00 C ATOM 1310 CD1 LEU A 82 2.250 6.171 -0.888 1.00 0.00 C ATOM 1311 CD2 LEU A 82 1.431 3.816 -0.681 1.00 0.00 C ATOM 0 H LEU A 82 6.482 3.400 0.121 1.00 0.00 H new ATOM 0 HA LEU A 82 4.900 5.836 0.671 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.190 4.641 -1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.848 3.226 -0.469 1.00 0.00 H new ATOM 0 HG LEU A 82 2.330 4.970 0.872 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.236 6.522 -0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.964 6.896 -0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.400 6.057 -1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.428 4.199 -0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.561 3.644 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.567 2.878 -0.143 1.00 0.00 H new ATOM 1323 N GLN A 83 4.056 4.886 2.812 1.00 0.00 N ATOM 1324 CA GLN A 83 3.734 4.395 4.146 1.00 0.00 C ATOM 1325 C GLN A 83 2.314 4.787 4.542 1.00 0.00 C ATOM 1326 O GLN A 83 1.708 5.664 3.927 1.00 0.00 O ATOM 1327 CB GLN A 83 4.730 4.943 5.169 1.00 0.00 C ATOM 1328 CG GLN A 83 4.929 4.034 6.372 1.00 0.00 C ATOM 1329 CD GLN A 83 6.137 4.421 7.202 1.00 0.00 C ATOM 1330 OE1 GLN A 83 6.002 4.915 8.322 1.00 0.00 O ATOM 1331 NE2 GLN A 83 7.327 4.199 6.656 1.00 0.00 N ATOM 0 H GLN A 83 3.779 5.852 2.639 1.00 0.00 H new ATOM 0 HA GLN A 83 3.801 3.307 4.131 1.00 0.00 H new ATOM 0 HB2 GLN A 83 5.691 5.100 4.680 1.00 0.00 H new ATOM 0 HB3 GLN A 83 4.385 5.918 5.514 1.00 0.00 H new ATOM 0 HG2 GLN A 83 4.037 4.066 6.998 1.00 0.00 H new ATOM 0 HG3 GLN A 83 5.042 3.005 6.030 1.00 0.00 H new ATOM 0 HE21 GLN A 83 7.392 3.788 5.725 1.00 0.00 H new ATOM 0 HE22 GLN A 83 8.176 4.440 7.168 1.00 0.00 H new ATOM 1340 N ILE A 84 1.789 4.130 5.571 1.00 0.00 N ATOM 1341 CA ILE A 84 0.441 4.411 6.049 1.00 0.00 C ATOM 1342 C ILE A 84 0.374 4.353 7.571 1.00 0.00 C ATOM 1343 O ILE A 84 0.513 3.286 8.169 1.00 0.00 O ATOM 1344 CB ILE A 84 -0.582 3.420 5.462 1.00 0.00 C ATOM 1345 CG1 ILE A 84 -0.314 3.199 3.972 1.00 0.00 C ATOM 1346 CG2 ILE A 84 -1.998 3.928 5.682 1.00 0.00 C ATOM 1347 CD1 ILE A 84 -0.712 4.374 3.106 1.00 0.00 C ATOM 0 H ILE A 84 2.277 3.400 6.090 1.00 0.00 H new ATOM 0 HA ILE A 84 0.191 5.418 5.716 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.476 2.465 5.976 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.747 2.995 3.828 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.857 2.314 3.641 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.709 3.217 5.262 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.183 4.038 6.751 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.118 4.894 5.192 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.494 4.147 2.062 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.779 4.565 3.220 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -0.150 5.257 3.411 1.00 0.00 H new ATOM 1359 N VAL A 85 0.157 5.507 8.193 1.00 0.00 N ATOM 1360 CA VAL A 85 0.068 5.588 9.646 1.00 0.00 C ATOM 1361 C VAL A 85 -1.344 5.273 10.128 1.00 0.00 C ATOM 1362 O VAL A 85 -2.312 5.904 9.701 1.00 0.00 O ATOM 1363 CB VAL A 85 0.473 6.984 10.156 1.00 0.00 C ATOM 1364 CG1 VAL A 85 0.403 7.038 11.675 1.00 0.00 C ATOM 1365 CG2 VAL A 85 1.867 7.346 9.665 1.00 0.00 C ATOM 0 H VAL A 85 0.039 6.399 7.713 1.00 0.00 H new ATOM 0 HA VAL A 85 0.760 4.848 10.048 1.00 0.00 H new ATOM 0 HB VAL A 85 -0.229 7.716 9.757 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.692 8.031 12.017 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.615 6.824 12.000 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.082 6.297 12.097 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.137 8.335 10.034 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.584 6.613 10.033 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.879 7.350 8.575 1.00 0.00 H new ATOM 1375 N CYS A 86 -1.453 4.294 11.020 1.00 0.00 N ATOM 1376 CA CYS A 86 -2.748 3.894 11.561 1.00 0.00 C ATOM 1377 C CYS A 86 -3.089 4.704 12.807 1.00 0.00 C ATOM 1378 O CYS A 86 -2.276 5.492 13.290 1.00 0.00 O ATOM 1379 CB CYS A 86 -2.746 2.401 11.891 1.00 0.00 C ATOM 1380 SG CYS A 86 -2.964 1.326 10.454 1.00 0.00 S ATOM 0 H CYS A 86 -0.662 3.763 11.384 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.508 4.089 10.804 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -1.805 2.149 12.380 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -3.542 2.197 12.607 1.00 0.00 H new ATOM 0 HG CYS A 86 -1.813 0.834 10.102 1.00 0.00 H new ATOM 1386 N ARG A 87 -4.298 4.504 13.323 1.00 0.00 N ATOM 1387 CA ARG A 87 -4.748 5.218 14.512 1.00 0.00 C ATOM 1388 C ARG A 87 -3.823 4.943 15.694 1.00 0.00 C ATOM 1389 O ARG A 87 -3.162 5.849 16.201 1.00 0.00 O ATOM 1390 CB ARG A 87 -6.180 4.811 14.865 1.00 0.00 C ATOM 1391 CG ARG A 87 -7.214 5.280 13.855 1.00 0.00 C ATOM 1392 CD ARG A 87 -8.628 5.123 14.391 1.00 0.00 C ATOM 1393 NE ARG A 87 -8.975 6.178 15.339 1.00 0.00 N ATOM 1394 CZ ARG A 87 -10.107 6.199 16.034 1.00 0.00 C ATOM 1395 NH1 ARG A 87 -10.996 5.226 15.888 1.00 0.00 N ATOM 1396 NH2 ARG A 87 -10.350 7.194 16.878 1.00 0.00 N ATOM 0 H ARG A 87 -4.983 3.854 12.937 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.724 6.286 14.295 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.230 3.725 14.946 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.432 5.216 15.845 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.032 6.325 13.606 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -7.108 4.709 12.932 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -9.334 5.136 13.560 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.725 4.152 14.877 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.312 6.941 15.475 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -10.811 4.459 15.241 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -11.864 5.244 16.423 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.667 7.943 16.993 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.219 7.210 17.411 1.00 0.00 H new ATOM 1410 N ASP A 88 -3.783 3.688 16.128 1.00 0.00 N ATOM 1411 CA ASP A 88 -2.939 3.293 17.250 1.00 0.00 C ATOM 1412 C ASP A 88 -1.467 3.535 16.933 1.00 0.00 C ATOM 1413 O ASP A 88 -0.737 4.118 17.734 1.00 0.00 O ATOM 1414 CB ASP A 88 -3.165 1.820 17.591 1.00 0.00 C ATOM 1415 CG ASP A 88 -2.681 0.890 16.495 1.00 0.00 C ATOM 1416 OD1 ASP A 88 -3.189 0.998 15.359 1.00 0.00 O ATOM 1417 OD2 ASP A 88 -1.795 0.056 16.773 1.00 0.00 O ATOM 0 H ASP A 88 -4.325 2.927 15.720 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.212 3.903 18.111 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -2.647 1.582 18.520 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.227 1.649 17.765 1.00 0.00 H new ATOM 1422 N GLY A 89 -1.036 3.082 15.760 1.00 0.00 N ATOM 1423 CA GLY A 89 0.348 3.257 15.359 1.00 0.00 C ATOM 1424 C GLY A 89 0.749 2.322 14.236 1.00 0.00 C ATOM 1425 O GLY A 89 1.606 2.654 13.416 1.00 0.00 O ATOM 0 H GLY A 89 -1.621 2.597 15.080 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.503 4.288 15.042 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.996 3.087 16.218 1.00 0.00 H new ATOM 1429 N LYS A 90 0.130 1.147 14.197 1.00 0.00 N ATOM 1430 CA LYS A 90 0.427 0.159 13.166 1.00 0.00 C ATOM 1431 C LYS A 90 0.758 0.838 11.841 1.00 0.00 C ATOM 1432 O LYS A 90 -0.132 1.310 11.133 1.00 0.00 O ATOM 1433 CB LYS A 90 -0.760 -0.790 12.983 1.00 0.00 C ATOM 1434 CG LYS A 90 -0.521 -1.869 11.941 1.00 0.00 C ATOM 1435 CD LYS A 90 -1.783 -2.670 11.669 1.00 0.00 C ATOM 1436 CE LYS A 90 -1.585 -3.648 10.520 1.00 0.00 C ATOM 1437 NZ LYS A 90 -2.521 -4.803 10.608 1.00 0.00 N ATOM 0 H LYS A 90 -0.581 0.855 14.868 1.00 0.00 H new ATOM 0 HA LYS A 90 1.297 -0.414 13.487 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.987 -1.263 13.938 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.638 -0.210 12.698 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.173 -1.411 11.015 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.269 -2.538 12.283 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.070 -3.216 12.568 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.603 -1.991 11.433 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -1.735 -3.130 9.572 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.558 -4.012 10.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.355 -5.446 9.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.361 -5.312 11.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.502 -4.458 10.577 1.00 0.00 H new ATOM 1451 N THR A 91 2.045 0.882 11.509 1.00 0.00 N ATOM 1452 CA THR A 91 2.493 1.502 10.269 1.00 0.00 C ATOM 1453 C THR A 91 2.805 0.451 9.210 1.00 0.00 C ATOM 1454 O THR A 91 3.458 -0.554 9.493 1.00 0.00 O ATOM 1455 CB THR A 91 3.744 2.373 10.496 1.00 0.00 C ATOM 1456 OG1 THR A 91 3.459 3.398 11.455 1.00 0.00 O ATOM 1457 CG2 THR A 91 4.207 3.005 9.193 1.00 0.00 C ATOM 0 H THR A 91 2.795 0.495 12.082 1.00 0.00 H new ATOM 0 HA THR A 91 1.677 2.135 9.920 1.00 0.00 H new ATOM 0 HB THR A 91 4.542 1.734 10.874 1.00 0.00 H new ATOM 0 HG1 THR A 91 2.758 3.089 12.066 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.091 3.615 9.378 1.00 0.00 H new ATOM 0 HG22 THR A 91 4.451 2.222 8.475 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.412 3.632 8.790 1.00 0.00 H new ATOM 1465 N ILE A 92 2.336 0.689 7.990 1.00 0.00 N ATOM 1466 CA ILE A 92 2.567 -0.237 6.889 1.00 0.00 C ATOM 1467 C ILE A 92 3.583 0.326 5.901 1.00 0.00 C ATOM 1468 O ILE A 92 3.403 1.419 5.364 1.00 0.00 O ATOM 1469 CB ILE A 92 1.261 -0.556 6.138 1.00 0.00 C ATOM 1470 CG1 ILE A 92 0.231 -1.159 7.095 1.00 0.00 C ATOM 1471 CG2 ILE A 92 1.534 -1.504 4.979 1.00 0.00 C ATOM 1472 CD1 ILE A 92 -1.154 -1.277 6.498 1.00 0.00 C ATOM 0 H ILE A 92 1.794 1.516 7.739 1.00 0.00 H new ATOM 0 HA ILE A 92 2.959 -1.155 7.326 1.00 0.00 H new ATOM 0 HB ILE A 92 0.855 0.372 5.735 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.570 -2.148 7.404 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.179 -0.545 7.994 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.601 -1.720 4.458 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.237 -1.040 4.287 1.00 0.00 H new ATOM 0 HG23 ILE A 92 1.960 -2.432 5.361 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.831 -1.712 7.233 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -1.514 -0.288 6.215 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.117 -1.916 5.616 1.00 0.00 H new ATOM 1484 N SER A 93 4.651 -0.428 5.664 1.00 0.00 N ATOM 1485 CA SER A 93 5.698 -0.004 4.742 1.00 0.00 C ATOM 1486 C SER A 93 5.458 -0.575 3.348 1.00 0.00 C ATOM 1487 O SER A 93 5.360 -1.790 3.170 1.00 0.00 O ATOM 1488 CB SER A 93 7.070 -0.444 5.257 1.00 0.00 C ATOM 1489 OG SER A 93 7.233 -0.108 6.624 1.00 0.00 O ATOM 0 H SER A 93 4.814 -1.336 6.098 1.00 0.00 H new ATOM 0 HA SER A 93 5.674 1.084 4.679 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.182 -1.520 5.128 1.00 0.00 H new ATOM 0 HB3 SER A 93 7.853 0.031 4.666 1.00 0.00 H new ATOM 0 HG SER A 93 8.117 -0.401 6.930 1.00 0.00 H new ATOM 1495 N LEU A 94 5.365 0.309 2.361 1.00 0.00 N ATOM 1496 CA LEU A 94 5.137 -0.105 0.981 1.00 0.00 C ATOM 1497 C LEU A 94 6.122 0.577 0.038 1.00 0.00 C ATOM 1498 O LEU A 94 6.754 1.571 0.397 1.00 0.00 O ATOM 1499 CB LEU A 94 3.702 0.220 0.561 1.00 0.00 C ATOM 1500 CG LEU A 94 2.597 -0.338 1.458 1.00 0.00 C ATOM 1501 CD1 LEU A 94 1.238 0.183 1.018 1.00 0.00 C ATOM 1502 CD2 LEU A 94 2.617 -1.860 1.445 1.00 0.00 C ATOM 0 H LEU A 94 5.444 1.318 2.491 1.00 0.00 H new ATOM 0 HA LEU A 94 5.292 -1.182 0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.594 1.304 0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.547 -0.157 -0.450 1.00 0.00 H new ATOM 0 HG LEU A 94 2.779 -0.001 2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.464 -0.225 1.668 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.228 1.271 1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.046 -0.123 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.824 -2.240 2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 94 2.460 -2.217 0.427 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.581 -2.214 1.810 1.00 0.00 H new ATOM 1514 N CYS A 95 6.246 0.038 -1.170 1.00 0.00 N ATOM 1515 CA CYS A 95 7.154 0.595 -2.167 1.00 0.00 C ATOM 1516 C CYS A 95 6.591 0.419 -3.573 1.00 0.00 C ATOM 1517 O CYS A 95 6.041 -0.630 -3.906 1.00 0.00 O ATOM 1518 CB CYS A 95 8.527 -0.072 -2.066 1.00 0.00 C ATOM 1519 SG CYS A 95 9.637 0.313 -3.441 1.00 0.00 S ATOM 0 H CYS A 95 5.729 -0.784 -1.483 1.00 0.00 H new ATOM 0 HA CYS A 95 7.262 1.662 -1.970 1.00 0.00 H new ATOM 0 HB2 CYS A 95 9.001 0.235 -1.134 1.00 0.00 H new ATOM 0 HB3 CYS A 95 8.391 -1.152 -2.014 1.00 0.00 H new ATOM 0 HG CYS A 95 8.947 0.427 -4.537 1.00 0.00 H new ATOM 1525 N ALA A 96 6.732 1.455 -4.395 1.00 0.00 N ATOM 1526 CA ALA A 96 6.238 1.415 -5.765 1.00 0.00 C ATOM 1527 C ALA A 96 7.361 1.092 -6.745 1.00 0.00 C ATOM 1528 O ALA A 96 8.539 1.160 -6.395 1.00 0.00 O ATOM 1529 CB ALA A 96 5.583 2.739 -6.129 1.00 0.00 C ATOM 0 H ALA A 96 7.184 2.331 -4.135 1.00 0.00 H new ATOM 0 HA ALA A 96 5.493 0.622 -5.833 1.00 0.00 H new ATOM 0 HB1 ALA A 96 5.219 2.695 -7.155 1.00 0.00 H new ATOM 0 HB2 ALA A 96 4.748 2.929 -5.455 1.00 0.00 H new ATOM 0 HB3 ALA A 96 6.313 3.543 -6.038 1.00 0.00 H new ATOM 1535 N GLU A 97 6.989 0.739 -7.971 1.00 0.00 N ATOM 1536 CA GLU A 97 7.966 0.404 -8.999 1.00 0.00 C ATOM 1537 C GLU A 97 8.747 1.642 -9.432 1.00 0.00 C ATOM 1538 O GLU A 97 9.969 1.598 -9.578 1.00 0.00 O ATOM 1539 CB GLU A 97 7.272 -0.223 -10.210 1.00 0.00 C ATOM 1540 CG GLU A 97 8.172 -1.140 -11.021 1.00 0.00 C ATOM 1541 CD GLU A 97 7.409 -1.937 -12.060 1.00 0.00 C ATOM 1542 OE1 GLU A 97 6.302 -1.506 -12.445 1.00 0.00 O ATOM 1543 OE2 GLU A 97 7.919 -2.993 -12.490 1.00 0.00 O ATOM 0 H GLU A 97 6.018 0.678 -8.276 1.00 0.00 H new ATOM 0 HA GLU A 97 8.666 -0.317 -8.577 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.405 -0.788 -9.869 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.900 0.572 -10.857 1.00 0.00 H new ATOM 0 HG2 GLU A 97 8.939 -0.545 -11.517 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.686 -1.826 -10.348 1.00 0.00 H new ATOM 1550 N SER A 98 8.033 2.744 -9.634 1.00 0.00 N ATOM 1551 CA SER A 98 8.657 3.993 -10.054 1.00 0.00 C ATOM 1552 C SER A 98 7.915 5.193 -9.473 1.00 0.00 C ATOM 1553 O SER A 98 6.722 5.118 -9.177 1.00 0.00 O ATOM 1554 CB SER A 98 8.684 4.087 -11.581 1.00 0.00 C ATOM 1555 OG SER A 98 9.444 3.031 -12.143 1.00 0.00 O ATOM 0 H SER A 98 7.022 2.798 -9.514 1.00 0.00 H new ATOM 0 HA SER A 98 9.680 4.003 -9.678 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.666 4.053 -11.969 1.00 0.00 H new ATOM 0 HB3 SER A 98 9.108 5.045 -11.882 1.00 0.00 H new ATOM 0 HG SER A 98 9.445 3.112 -13.120 1.00 0.00 H new ATOM 1561 N THR A 99 8.631 6.302 -9.311 1.00 0.00 N ATOM 1562 CA THR A 99 8.043 7.518 -8.764 1.00 0.00 C ATOM 1563 C THR A 99 6.608 7.699 -9.244 1.00 0.00 C ATOM 1564 O THR A 99 5.736 8.118 -8.482 1.00 0.00 O ATOM 1565 CB THR A 99 8.863 8.762 -9.154 1.00 0.00 C ATOM 1566 OG1 THR A 99 10.262 8.494 -9.007 1.00 0.00 O ATOM 1567 CG2 THR A 99 8.477 9.956 -8.294 1.00 0.00 C ATOM 0 H THR A 99 9.619 6.382 -9.551 1.00 0.00 H new ATOM 0 HA THR A 99 8.050 7.412 -7.679 1.00 0.00 H new ATOM 0 HB THR A 99 8.647 8.999 -10.196 1.00 0.00 H new ATOM 0 HG1 THR A 99 10.478 8.394 -8.056 1.00 0.00 H new ATOM 0 HG21 THR A 99 9.069 10.823 -8.588 1.00 0.00 H new ATOM 0 HG22 THR A 99 7.418 10.176 -8.432 1.00 0.00 H new ATOM 0 HG23 THR A 99 8.666 9.726 -7.246 1.00 0.00 H new ATOM 1575 N ASP A 100 6.367 7.379 -10.511 1.00 0.00 N ATOM 1576 CA ASP A 100 5.036 7.504 -11.092 1.00 0.00 C ATOM 1577 C ASP A 100 4.034 6.627 -10.348 1.00 0.00 C ATOM 1578 O ASP A 100 2.951 7.081 -9.978 1.00 0.00 O ATOM 1579 CB ASP A 100 5.064 7.124 -12.573 1.00 0.00 C ATOM 1580 CG ASP A 100 6.028 7.979 -13.372 1.00 0.00 C ATOM 1581 OD1 ASP A 100 7.249 7.725 -13.297 1.00 0.00 O ATOM 1582 OD2 ASP A 100 5.562 8.901 -14.072 1.00 0.00 O ATOM 0 H ASP A 100 7.077 7.031 -11.155 1.00 0.00 H new ATOM 0 HA ASP A 100 4.722 8.544 -10.998 1.00 0.00 H new ATOM 0 HB2 ASP A 100 5.346 6.076 -12.671 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.062 7.225 -12.990 1.00 0.00 H new ATOM 1587 N ASP A 101 4.402 5.369 -10.133 1.00 0.00 N ATOM 1588 CA ASP A 101 3.535 4.428 -9.433 1.00 0.00 C ATOM 1589 C ASP A 101 3.239 4.911 -8.017 1.00 0.00 C ATOM 1590 O ASP A 101 2.104 4.824 -7.545 1.00 0.00 O ATOM 1591 CB ASP A 101 4.183 3.043 -9.387 1.00 0.00 C ATOM 1592 CG ASP A 101 3.158 1.927 -9.332 1.00 0.00 C ATOM 1593 OD1 ASP A 101 2.490 1.787 -8.286 1.00 0.00 O ATOM 1594 OD2 ASP A 101 3.025 1.193 -10.333 1.00 0.00 O ATOM 0 H ASP A 101 5.295 4.977 -10.433 1.00 0.00 H new ATOM 0 HA ASP A 101 2.594 4.363 -9.979 1.00 0.00 H new ATOM 0 HB2 ASP A 101 4.814 2.910 -10.266 1.00 0.00 H new ATOM 0 HB3 ASP A 101 4.834 2.978 -8.515 1.00 0.00 H new ATOM 1599 N CYS A 102 4.265 5.420 -7.344 1.00 0.00 N ATOM 1600 CA CYS A 102 4.115 5.916 -5.981 1.00 0.00 C ATOM 1601 C CYS A 102 3.171 7.113 -5.938 1.00 0.00 C ATOM 1602 O CYS A 102 2.250 7.162 -5.122 1.00 0.00 O ATOM 1603 CB CYS A 102 5.478 6.305 -5.405 1.00 0.00 C ATOM 1604 SG CYS A 102 5.455 6.660 -3.632 1.00 0.00 S ATOM 0 H CYS A 102 5.210 5.500 -7.720 1.00 0.00 H new ATOM 0 HA CYS A 102 3.687 5.117 -5.375 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.185 5.497 -5.594 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.848 7.182 -5.936 1.00 0.00 H new ATOM 0 HG CYS A 102 6.529 7.316 -3.307 1.00 0.00 H new ATOM 1610 N LEU A 103 3.407 8.077 -6.821 1.00 0.00 N ATOM 1611 CA LEU A 103 2.579 9.276 -6.884 1.00 0.00 C ATOM 1612 C LEU A 103 1.118 8.916 -7.137 1.00 0.00 C ATOM 1613 O LEU A 103 0.218 9.429 -6.471 1.00 0.00 O ATOM 1614 CB LEU A 103 3.083 10.211 -7.984 1.00 0.00 C ATOM 1615 CG LEU A 103 4.133 11.239 -7.562 1.00 0.00 C ATOM 1616 CD1 LEU A 103 4.780 11.874 -8.783 1.00 0.00 C ATOM 1617 CD2 LEU A 103 3.509 12.305 -6.672 1.00 0.00 C ATOM 0 H LEU A 103 4.165 8.052 -7.503 1.00 0.00 H new ATOM 0 HA LEU A 103 2.648 9.786 -5.923 1.00 0.00 H new ATOM 0 HB2 LEU A 103 3.501 9.603 -8.787 1.00 0.00 H new ATOM 0 HB3 LEU A 103 2.228 10.744 -8.400 1.00 0.00 H new ATOM 0 HG LEU A 103 4.907 10.725 -6.992 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.524 12.603 -8.463 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.263 11.102 -9.382 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.017 12.373 -9.381 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.271 13.028 -6.381 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.714 12.815 -7.217 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.094 11.837 -5.779 1.00 0.00 H new ATOM 1629 N ALA A 104 0.891 8.030 -8.101 1.00 0.00 N ATOM 1630 CA ALA A 104 -0.460 7.598 -8.438 1.00 0.00 C ATOM 1631 C ALA A 104 -1.197 7.085 -7.206 1.00 0.00 C ATOM 1632 O ALA A 104 -2.297 7.540 -6.895 1.00 0.00 O ATOM 1633 CB ALA A 104 -0.417 6.524 -9.515 1.00 0.00 C ATOM 0 H ALA A 104 1.625 7.597 -8.662 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.005 8.461 -8.821 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.433 6.211 -9.757 1.00 0.00 H new ATOM 0 HB2 ALA A 104 0.062 6.924 -10.409 1.00 0.00 H new ATOM 0 HB3 ALA A 104 0.150 5.667 -9.152 1.00 0.00 H new ATOM 1639 N TRP A 105 -0.583 6.136 -6.508 1.00 0.00 N ATOM 1640 CA TRP A 105 -1.182 5.561 -5.309 1.00 0.00 C ATOM 1641 C TRP A 105 -1.404 6.630 -4.245 1.00 0.00 C ATOM 1642 O TRP A 105 -2.526 6.836 -3.782 1.00 0.00 O ATOM 1643 CB TRP A 105 -0.292 4.448 -4.753 1.00 0.00 C ATOM 1644 CG TRP A 105 -0.607 3.097 -5.320 1.00 0.00 C ATOM 1645 CD1 TRP A 105 0.192 2.341 -6.129 1.00 0.00 C ATOM 1646 CD2 TRP A 105 -1.808 2.343 -5.122 1.00 0.00 C ATOM 1647 NE1 TRP A 105 -0.440 1.162 -6.446 1.00 0.00 N ATOM 1648 CE2 TRP A 105 -1.668 1.139 -5.840 1.00 0.00 C ATOM 1649 CE3 TRP A 105 -2.988 2.567 -4.407 1.00 0.00 C ATOM 1650 CZ2 TRP A 105 -2.663 0.166 -5.863 1.00 0.00 C ATOM 1651 CZ3 TRP A 105 -3.975 1.600 -4.431 1.00 0.00 C ATOM 1652 CH2 TRP A 105 -3.808 0.412 -5.154 1.00 0.00 C ATOM 0 H TRP A 105 0.329 5.749 -6.752 1.00 0.00 H new ATOM 0 HA TRP A 105 -2.150 5.141 -5.582 1.00 0.00 H new ATOM 0 HB2 TRP A 105 0.751 4.688 -4.962 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -0.400 4.413 -3.669 1.00 0.00 H new ATOM 0 HD1 TRP A 105 1.176 2.627 -6.470 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -0.057 0.424 -7.037 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.126 3.479 -3.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -2.536 -0.750 -6.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -4.891 1.763 -3.883 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -4.598 -0.324 -5.152 1.00 0.00 H new ATOM 1663 N LYS A 106 -0.329 7.309 -3.861 1.00 0.00 N ATOM 1664 CA LYS A 106 -0.406 8.359 -2.852 1.00 0.00 C ATOM 1665 C LYS A 106 -1.616 9.256 -3.092 1.00 0.00 C ATOM 1666 O LYS A 106 -2.374 9.553 -2.168 1.00 0.00 O ATOM 1667 CB LYS A 106 0.874 9.198 -2.861 1.00 0.00 C ATOM 1668 CG LYS A 106 0.737 10.524 -2.133 1.00 0.00 C ATOM 1669 CD LYS A 106 2.094 11.133 -1.823 1.00 0.00 C ATOM 1670 CE LYS A 106 1.981 12.618 -1.515 1.00 0.00 C ATOM 1671 NZ LYS A 106 2.062 13.449 -2.748 1.00 0.00 N ATOM 0 H LYS A 106 0.607 7.151 -4.234 1.00 0.00 H new ATOM 0 HA LYS A 106 -0.515 7.884 -1.877 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.679 8.623 -2.403 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.166 9.388 -3.894 1.00 0.00 H new ATOM 0 HG2 LYS A 106 0.157 11.217 -2.743 1.00 0.00 H new ATOM 0 HG3 LYS A 106 0.183 10.376 -1.206 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.540 10.617 -0.973 1.00 0.00 H new ATOM 0 HD3 LYS A 106 2.762 10.986 -2.671 1.00 0.00 H new ATOM 0 HE2 LYS A 106 1.036 12.813 -1.008 1.00 0.00 H new ATOM 0 HE3 LYS A 106 2.777 12.908 -0.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 1.981 14.454 -2.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 2.974 13.283 -3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 1.288 13.191 -3.392 1.00 0.00 H new ATOM 1685 N PHE A 107 -1.792 9.684 -4.338 1.00 0.00 N ATOM 1686 CA PHE A 107 -2.911 10.547 -4.699 1.00 0.00 C ATOM 1687 C PHE A 107 -4.241 9.834 -4.476 1.00 0.00 C ATOM 1688 O PHE A 107 -5.156 10.381 -3.858 1.00 0.00 O ATOM 1689 CB PHE A 107 -2.793 10.985 -6.160 1.00 0.00 C ATOM 1690 CG PHE A 107 -1.652 11.928 -6.413 1.00 0.00 C ATOM 1691 CD1 PHE A 107 -1.488 13.063 -5.635 1.00 0.00 C ATOM 1692 CD2 PHE A 107 -0.743 11.680 -7.429 1.00 0.00 C ATOM 1693 CE1 PHE A 107 -0.439 13.932 -5.866 1.00 0.00 C ATOM 1694 CE2 PHE A 107 0.309 12.546 -7.664 1.00 0.00 C ATOM 1695 CZ PHE A 107 0.461 13.673 -6.881 1.00 0.00 C ATOM 0 H PHE A 107 -1.174 9.447 -5.114 1.00 0.00 H new ATOM 0 HA PHE A 107 -2.880 11.429 -4.059 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.670 10.102 -6.787 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -3.724 11.464 -6.464 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.188 13.271 -4.839 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.858 10.800 -8.045 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.323 14.814 -5.253 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.011 12.341 -8.459 1.00 0.00 H new ATOM 0 HZ PHE A 107 1.282 14.351 -7.062 1.00 0.00 H new ATOM 1705 N THR A 108 -4.343 8.610 -4.983 1.00 0.00 N ATOM 1706 CA THR A 108 -5.561 7.822 -4.841 1.00 0.00 C ATOM 1707 C THR A 108 -5.918 7.621 -3.373 1.00 0.00 C ATOM 1708 O THR A 108 -7.094 7.617 -3.005 1.00 0.00 O ATOM 1709 CB THR A 108 -5.421 6.444 -5.517 1.00 0.00 C ATOM 1710 OG1 THR A 108 -4.916 6.600 -6.848 1.00 0.00 O ATOM 1711 CG2 THR A 108 -6.759 5.723 -5.558 1.00 0.00 C ATOM 0 H THR A 108 -3.596 8.142 -5.496 1.00 0.00 H new ATOM 0 HA THR A 108 -6.358 8.381 -5.333 1.00 0.00 H new ATOM 0 HB THR A 108 -4.722 5.846 -4.932 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.956 6.794 -6.813 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.635 4.753 -6.040 1.00 0.00 H new ATOM 0 HG22 THR A 108 -7.126 5.579 -4.542 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.476 6.319 -6.122 1.00 0.00 H new ATOM 1719 N LEU A 109 -4.898 7.457 -2.538 1.00 0.00 N ATOM 1720 CA LEU A 109 -5.105 7.257 -1.108 1.00 0.00 C ATOM 1721 C LEU A 109 -5.528 8.557 -0.432 1.00 0.00 C ATOM 1722 O LEU A 109 -6.432 8.567 0.404 1.00 0.00 O ATOM 1723 CB LEU A 109 -3.828 6.722 -0.458 1.00 0.00 C ATOM 1724 CG LEU A 109 -3.294 5.401 -1.013 1.00 0.00 C ATOM 1725 CD1 LEU A 109 -1.808 5.262 -0.722 1.00 0.00 C ATOM 1726 CD2 LEU A 109 -4.066 4.227 -0.430 1.00 0.00 C ATOM 0 H LEU A 109 -3.920 7.459 -2.826 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.904 6.526 -0.980 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.049 7.477 -0.560 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.013 6.596 0.609 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.433 5.400 -2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.445 4.316 -1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.267 6.086 -1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.645 5.285 0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.672 3.295 -0.836 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.959 4.224 0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -5.120 4.320 -0.690 1.00 0.00 H new ATOM 1738 N GLN A 110 -4.870 9.651 -0.801 1.00 0.00 N ATOM 1739 CA GLN A 110 -5.180 10.957 -0.230 1.00 0.00 C ATOM 1740 C GLN A 110 -6.602 11.380 -0.581 1.00 0.00 C ATOM 1741 O GLN A 110 -7.198 12.214 0.102 1.00 0.00 O ATOM 1742 CB GLN A 110 -4.185 12.005 -0.732 1.00 0.00 C ATOM 1743 CG GLN A 110 -2.816 11.906 -0.077 1.00 0.00 C ATOM 1744 CD GLN A 110 -2.820 12.393 1.359 1.00 0.00 C ATOM 1745 OE1 GLN A 110 -2.891 11.597 2.296 1.00 0.00 O ATOM 1746 NE2 GLN A 110 -2.741 13.706 1.539 1.00 0.00 N ATOM 0 H GLN A 110 -4.120 9.660 -1.492 1.00 0.00 H new ATOM 0 HA GLN A 110 -5.100 10.880 0.854 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -4.071 11.899 -1.811 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -4.594 12.999 -0.551 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -2.478 10.870 -0.104 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -2.099 12.491 -0.653 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -2.684 14.329 0.733 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -2.737 14.092 2.483 1.00 0.00 H new ATOM 1755 N ASP A 111 -7.141 10.802 -1.649 1.00 0.00 N ATOM 1756 CA ASP A 111 -8.494 11.119 -2.090 1.00 0.00 C ATOM 1757 C ASP A 111 -9.519 10.258 -1.359 1.00 0.00 C ATOM 1758 O ASP A 111 -10.578 10.741 -0.958 1.00 0.00 O ATOM 1759 CB ASP A 111 -8.622 10.916 -3.600 1.00 0.00 C ATOM 1760 CG ASP A 111 -9.926 11.460 -4.149 1.00 0.00 C ATOM 1761 OD1 ASP A 111 -9.996 12.678 -4.414 1.00 0.00 O ATOM 1762 OD2 ASP A 111 -10.876 10.667 -4.315 1.00 0.00 O ATOM 0 H ASP A 111 -6.661 10.111 -2.226 1.00 0.00 H new ATOM 0 HA ASP A 111 -8.691 12.165 -1.855 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -7.787 11.406 -4.102 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -8.551 9.852 -3.828 1.00 0.00 H new ATOM 1767 N SER A 112 -9.198 8.979 -1.192 1.00 0.00 N ATOM 1768 CA SER A 112 -10.094 8.049 -0.514 1.00 0.00 C ATOM 1769 C SER A 112 -10.388 8.516 0.908 1.00 0.00 C ATOM 1770 O SER A 112 -11.304 8.015 1.561 1.00 0.00 O ATOM 1771 CB SER A 112 -9.481 6.647 -0.485 1.00 0.00 C ATOM 1772 OG SER A 112 -8.131 6.689 -0.059 1.00 0.00 O ATOM 0 H SER A 112 -8.325 8.563 -1.517 1.00 0.00 H new ATOM 0 HA SER A 112 -11.032 8.017 -1.069 1.00 0.00 H new ATOM 0 HB2 SER A 112 -10.057 6.009 0.185 1.00 0.00 H new ATOM 0 HB3 SER A 112 -9.538 6.201 -1.478 1.00 0.00 H new ATOM 0 HG SER A 112 -7.901 7.603 0.211 1.00 0.00 H new ATOM 1778 N ARG A 113 -9.604 9.480 1.382 1.00 0.00 N ATOM 1779 CA ARG A 113 -9.779 10.015 2.726 1.00 0.00 C ATOM 1780 C ARG A 113 -11.145 10.678 2.874 1.00 0.00 C ATOM 1781 O ARG A 113 -11.950 10.286 3.721 1.00 0.00 O ATOM 1782 CB ARG A 113 -8.674 11.024 3.044 1.00 0.00 C ATOM 1783 CG ARG A 113 -7.277 10.425 3.017 1.00 0.00 C ATOM 1784 CD ARG A 113 -6.216 11.474 3.313 1.00 0.00 C ATOM 1785 NE ARG A 113 -6.325 11.994 4.673 1.00 0.00 N ATOM 1786 CZ ARG A 113 -5.547 12.956 5.156 1.00 0.00 C ATOM 1787 NH1 ARG A 113 -4.608 13.500 4.394 1.00 0.00 N ATOM 1788 NH2 ARG A 113 -5.708 13.377 6.404 1.00 0.00 N ATOM 0 H ARG A 113 -8.842 9.906 0.854 1.00 0.00 H new ATOM 0 HA ARG A 113 -9.719 9.186 3.431 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -8.723 11.843 2.326 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -8.857 11.453 4.029 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -7.210 9.621 3.750 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -7.089 9.981 2.039 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -5.227 11.040 3.169 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -6.310 12.295 2.602 1.00 0.00 H new ATOM 0 HE ARG A 113 -7.037 11.597 5.285 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -4.482 13.180 3.434 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -4.012 14.239 4.768 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -6.430 12.962 6.993 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -5.110 14.116 6.774 1.00 0.00 H new