USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 652 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: T 45 HIS : no HE2:sc= -8.97! C(o=-7.6!,f=-10!) USER MOD Set 1.2: T 47 CYS SG : rot -53:sc= 1.33 USER MOD Single : T 3 TYR OH : rot 86:sc= 0.13 USER MOD Single : T 4 HIS : no HE2:sc= -6.28! C(o=-6.3!,f=-11!) USER MOD Single : T 9 SER OG : rot 180:sc= 0 USER MOD Single : T 11 LYS NZ :NH3+ -155:sc= -0.0498 (180deg=-0.298) USER MOD Single : T 12 TYR OH : rot 180:sc= -0.319 USER MOD Single : T 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 15 THR OG1 : rot 180:sc= -1.38! USER MOD Single : T 16 TYR OH : rot 180:sc= 0 USER MOD Single : T 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 29 HIS : no HD1:sc= -3.38! C(o=-3.4!,f=-6!) USER MOD Single : T 32 THR OG1 : rot 180:sc= -0.243 USER MOD Single : T 33 TYR OH : rot 180:sc= 0 USER MOD Single : T 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 35 GLN : amide:sc= 0.0443 K(o=0.044,f=-2.8!) USER MOD Single : T 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 52 MET CE :methyl -169:sc= -0.556 (180deg=-0.876) USER MOD Single : T 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : T 59 TYR OH : rot 180:sc= 0 USER MOD Single : T 73 THR OG1 : rot -10:sc= 0.659 USER MOD Single : T 78 TYR OH : rot 180:sc= 0 USER MOD Single : T 83 ASN :FLIP amide:sc= -0.088 F(o=-1.9!,f=-0.088) USER MOD Single : T 85 SER OG : rot 180:sc= 0 USER MOD Single : T 91 TYR OH : rot 130:sc= -1.66 USER MOD Single : T 93 TYR OH : rot 180:sc= 0 USER MOD Single : T 94 ASN : amide:sc= -2.97! C(o=-3!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 10 N VAL T 2 -9.211 2.211 6.767 1.00 0.00 N ATOM 11 CA VAL T 2 -8.173 2.085 5.752 1.00 0.00 C ATOM 12 C VAL T 2 -8.476 0.942 4.790 1.00 0.00 C ATOM 13 O VAL T 2 -8.973 -0.109 5.196 1.00 0.00 O ATOM 14 CB VAL T 2 -6.790 1.852 6.389 1.00 0.00 C ATOM 15 CG1 VAL T 2 -6.882 0.830 7.512 1.00 0.00 C ATOM 16 CG2 VAL T 2 -5.781 1.413 5.341 1.00 0.00 C ATOM 0 HA VAL T 2 -8.158 3.025 5.200 1.00 0.00 H new ATOM 0 HB VAL T 2 -6.447 2.795 6.814 1.00 0.00 H new ATOM 0 HG11 VAL T 2 -5.895 0.680 7.949 1.00 0.00 H new ATOM 0 HG12 VAL T 2 -7.567 1.193 8.279 1.00 0.00 H new ATOM 0 HG13 VAL T 2 -7.251 -0.116 7.114 1.00 0.00 H new ATOM 0 HG21 VAL T 2 -4.812 1.254 5.813 1.00 0.00 H new ATOM 0 HG22 VAL T 2 -6.116 0.484 4.880 1.00 0.00 H new ATOM 0 HG23 VAL T 2 -5.690 2.185 4.577 1.00 0.00 H new ATOM 26 N TYR T 3 -8.172 1.153 3.514 1.00 0.00 N ATOM 27 CA TYR T 3 -8.410 0.140 2.493 1.00 0.00 C ATOM 28 C TYR T 3 -7.328 0.185 1.419 1.00 0.00 C ATOM 29 O TYR T 3 -6.377 0.963 1.515 1.00 0.00 O ATOM 30 CB TYR T 3 -9.787 0.336 1.857 1.00 0.00 C ATOM 31 CG TYR T 3 -9.987 1.705 1.242 1.00 0.00 C ATOM 32 CD1 TYR T 3 -10.272 2.809 2.035 1.00 0.00 C ATOM 33 CD2 TYR T 3 -9.889 1.890 -0.131 1.00 0.00 C ATOM 34 CE1 TYR T 3 -10.456 4.060 1.477 1.00 0.00 C ATOM 35 CE2 TYR T 3 -10.072 3.139 -0.696 1.00 0.00 C ATOM 36 CZ TYR T 3 -10.355 4.219 0.111 1.00 0.00 C ATOM 37 OH TYR T 3 -10.537 5.463 -0.449 1.00 0.00 O ATOM 0 H TYR T 3 -7.760 2.017 3.162 1.00 0.00 H new ATOM 0 HA TYR T 3 -8.378 -0.838 2.974 1.00 0.00 H new ATOM 0 HB2 TYR T 3 -9.933 -0.422 1.088 1.00 0.00 H new ATOM 0 HB3 TYR T 3 -10.553 0.173 2.615 1.00 0.00 H new ATOM 0 HD1 TYR T 3 -10.351 2.688 3.105 1.00 0.00 H new ATOM 0 HD2 TYR T 3 -9.667 1.046 -0.767 1.00 0.00 H new ATOM 0 HE1 TYR T 3 -10.678 4.908 2.107 1.00 0.00 H new ATOM 0 HE2 TYR T 3 -9.993 3.267 -1.765 1.00 0.00 H new ATOM 0 HH TYR T 3 -9.689 5.954 -0.439 1.00 0.00 H new ATOM 47 N HIS T 4 -7.477 -0.654 0.400 1.00 0.00 N ATOM 48 CA HIS T 4 -6.510 -0.711 -0.689 1.00 0.00 C ATOM 49 C HIS T 4 -7.130 -0.233 -1.997 1.00 0.00 C ATOM 50 O HIS T 4 -8.346 -0.290 -2.180 1.00 0.00 O ATOM 51 CB HIS T 4 -5.977 -2.135 -0.855 1.00 0.00 C ATOM 52 CG HIS T 4 -5.217 -2.347 -2.127 1.00 0.00 C ATOM 53 ND1 HIS T 4 -5.823 -2.684 -3.319 1.00 0.00 N ATOM 54 CD2 HIS T 4 -3.891 -2.267 -2.392 1.00 0.00 C ATOM 55 CE1 HIS T 4 -4.903 -2.804 -4.260 1.00 0.00 C ATOM 56 NE2 HIS T 4 -3.723 -2.555 -3.724 1.00 0.00 N ATOM 0 H HIS T 4 -8.258 -1.304 0.306 1.00 0.00 H new ATOM 0 HA HIS T 4 -5.682 -0.048 -0.437 1.00 0.00 H new ATOM 0 HB2 HIS T 4 -5.329 -2.372 -0.011 1.00 0.00 H new ATOM 0 HB3 HIS T 4 -6.813 -2.833 -0.821 1.00 0.00 H new ATOM 0 HD1 HIS T 4 -6.825 -2.819 -3.453 1.00 0.00 H new ATOM 0 HD2 HIS T 4 -3.111 -2.022 -1.687 1.00 0.00 H new ATOM 0 HE1 HIS T 4 -5.086 -3.062 -5.293 1.00 0.00 H new ATOM 65 N ARG T 5 -6.282 0.241 -2.904 1.00 0.00 N ATOM 66 CA ARG T 5 -6.739 0.732 -4.197 1.00 0.00 C ATOM 67 C ARG T 5 -5.629 0.634 -5.239 1.00 0.00 C ATOM 68 O ARG T 5 -4.457 0.466 -4.899 1.00 0.00 O ATOM 69 CB ARG T 5 -7.203 2.180 -4.067 1.00 0.00 C ATOM 70 CG ARG T 5 -8.081 2.649 -5.216 1.00 0.00 C ATOM 71 CD ARG T 5 -9.469 2.032 -5.145 1.00 0.00 C ATOM 72 NE ARG T 5 -10.446 2.947 -4.561 1.00 0.00 N ATOM 73 CZ ARG T 5 -11.632 3.203 -5.104 1.00 0.00 C ATOM 74 NH1 ARG T 5 -11.984 2.615 -6.239 1.00 0.00 N ATOM 75 NH2 ARG T 5 -12.466 4.048 -4.514 1.00 0.00 N ATOM 0 H ARG T 5 -5.273 0.295 -2.766 1.00 0.00 H new ATOM 0 HA ARG T 5 -7.574 0.112 -4.525 1.00 0.00 H new ATOM 0 HB2 ARG T 5 -7.753 2.293 -3.133 1.00 0.00 H new ATOM 0 HB3 ARG T 5 -6.329 2.827 -4.003 1.00 0.00 H new ATOM 0 HG2 ARG T 5 -8.163 3.736 -5.192 1.00 0.00 H new ATOM 0 HG3 ARG T 5 -7.613 2.385 -6.164 1.00 0.00 H new ATOM 0 HD2 ARG T 5 -9.791 1.749 -6.147 1.00 0.00 H new ATOM 0 HD3 ARG T 5 -9.429 1.118 -4.553 1.00 0.00 H new ATOM 0 HE ARG T 5 -10.205 3.416 -3.688 1.00 0.00 H new ATOM 0 HH11 ARG T 5 -11.344 1.965 -6.697 1.00 0.00 H new ATOM 0 HH12 ARG T 5 -12.894 2.812 -6.655 1.00 0.00 H new ATOM 0 HH21 ARG T 5 -12.198 4.503 -3.641 1.00 0.00 H new ATOM 0 HH22 ARG T 5 -13.375 4.243 -4.933 1.00 0.00 H new ATOM 89 N GLU T 6 -6.003 0.744 -6.510 1.00 0.00 N ATOM 90 CA GLU T 6 -5.038 0.673 -7.601 1.00 0.00 C ATOM 91 C GLU T 6 -5.097 1.931 -8.460 1.00 0.00 C ATOM 92 O GLU T 6 -5.746 2.912 -8.098 1.00 0.00 O ATOM 93 CB GLU T 6 -5.298 -0.561 -8.468 1.00 0.00 C ATOM 94 CG GLU T 6 -6.593 -0.487 -9.262 1.00 0.00 C ATOM 95 CD GLU T 6 -7.821 -0.507 -8.374 1.00 0.00 C ATOM 96 OE1 GLU T 6 -8.075 -1.550 -7.735 1.00 0.00 O ATOM 97 OE2 GLU T 6 -8.529 0.521 -8.317 1.00 0.00 O ATOM 0 H GLU T 6 -6.968 0.883 -6.810 1.00 0.00 H new ATOM 0 HA GLU T 6 -4.042 0.596 -7.164 1.00 0.00 H new ATOM 0 HB2 GLU T 6 -4.465 -0.691 -9.159 1.00 0.00 H new ATOM 0 HB3 GLU T 6 -5.323 -1.444 -7.830 1.00 0.00 H new ATOM 0 HG2 GLU T 6 -6.597 0.424 -9.861 1.00 0.00 H new ATOM 0 HG3 GLU T 6 -6.638 -1.326 -9.957 1.00 0.00 H new ATOM 104 N ALA T 7 -4.414 1.895 -9.598 1.00 0.00 N ATOM 105 CA ALA T 7 -4.387 3.033 -10.509 1.00 0.00 C ATOM 106 C ALA T 7 -5.512 2.942 -11.534 1.00 0.00 C ATOM 107 O ALA T 7 -5.932 1.849 -11.915 1.00 0.00 O ATOM 108 CB ALA T 7 -3.039 3.116 -11.209 1.00 0.00 C ATOM 0 H ALA T 7 -3.872 1.090 -9.912 1.00 0.00 H new ATOM 0 HA ALA T 7 -4.537 3.940 -9.923 1.00 0.00 H new ATOM 0 HB1 ALA T 7 -3.033 3.970 -11.886 1.00 0.00 H new ATOM 0 HB2 ALA T 7 -2.250 3.236 -10.466 1.00 0.00 H new ATOM 0 HB3 ALA T 7 -2.867 2.202 -11.777 1.00 0.00 H new ATOM 114 N ARG T 8 -5.996 4.098 -11.978 1.00 0.00 N ATOM 115 CA ARG T 8 -7.072 4.149 -12.960 1.00 0.00 C ATOM 116 C ARG T 8 -6.657 3.456 -14.254 1.00 0.00 C ATOM 117 O ARG T 8 -7.497 3.122 -15.089 1.00 0.00 O ATOM 118 CB ARG T 8 -7.460 5.600 -13.249 1.00 0.00 C ATOM 119 CG ARG T 8 -8.420 6.190 -12.228 1.00 0.00 C ATOM 120 CD ARG T 8 -9.867 5.877 -12.570 1.00 0.00 C ATOM 121 NE ARG T 8 -10.784 6.322 -11.524 1.00 0.00 N ATOM 122 CZ ARG T 8 -12.030 5.877 -11.399 1.00 0.00 C ATOM 123 NH1 ARG T 8 -12.505 4.979 -12.252 1.00 0.00 N ATOM 124 NH2 ARG T 8 -12.803 6.330 -10.422 1.00 0.00 N ATOM 0 H ARG T 8 -5.660 5.011 -11.673 1.00 0.00 H new ATOM 0 HA ARG T 8 -7.934 3.626 -12.546 1.00 0.00 H new ATOM 0 HB2 ARG T 8 -6.557 6.209 -13.280 1.00 0.00 H new ATOM 0 HB3 ARG T 8 -7.916 5.655 -14.238 1.00 0.00 H new ATOM 0 HG2 ARG T 8 -8.187 5.796 -11.239 1.00 0.00 H new ATOM 0 HG3 ARG T 8 -8.283 7.270 -12.181 1.00 0.00 H new ATOM 0 HD2 ARG T 8 -10.130 6.359 -13.512 1.00 0.00 H new ATOM 0 HD3 ARG T 8 -9.980 4.803 -12.719 1.00 0.00 H new ATOM 0 HE ARG T 8 -10.450 7.013 -10.852 1.00 0.00 H new ATOM 0 HH11 ARG T 8 -11.914 4.629 -13.006 1.00 0.00 H new ATOM 0 HH12 ARG T 8 -13.462 4.639 -12.154 1.00 0.00 H new ATOM 0 HH21 ARG T 8 -12.442 7.021 -9.765 1.00 0.00 H new ATOM 0 HH22 ARG T 8 -13.759 5.987 -10.328 1.00 0.00 H new ATOM 138 N SER T 9 -5.354 3.243 -14.412 1.00 0.00 N ATOM 139 CA SER T 9 -4.825 2.589 -15.602 1.00 0.00 C ATOM 140 C SER T 9 -4.554 1.112 -15.337 1.00 0.00 C ATOM 141 O SER T 9 -4.559 0.295 -16.257 1.00 0.00 O ATOM 142 CB SER T 9 -3.540 3.282 -16.060 1.00 0.00 C ATOM 143 OG SER T 9 -3.799 4.196 -17.111 1.00 0.00 O ATOM 0 H SER T 9 -4.646 3.514 -13.730 1.00 0.00 H new ATOM 0 HA SER T 9 -5.573 2.665 -16.391 1.00 0.00 H new ATOM 0 HB2 SER T 9 -3.088 3.809 -15.219 1.00 0.00 H new ATOM 0 HB3 SER T 9 -2.819 2.535 -16.393 1.00 0.00 H new ATOM 0 HG SER T 9 -2.962 4.626 -17.384 1.00 0.00 H new ATOM 149 N GLY T 10 -4.320 0.775 -14.072 1.00 0.00 N ATOM 150 CA GLY T 10 -4.054 -0.605 -13.710 1.00 0.00 C ATOM 151 C GLY T 10 -3.131 -0.723 -12.514 1.00 0.00 C ATOM 152 O GLY T 10 -2.511 0.255 -12.097 1.00 0.00 O ATOM 0 H GLY T 10 -4.310 1.433 -13.292 1.00 0.00 H new ATOM 0 HA2 GLY T 10 -4.996 -1.107 -13.489 1.00 0.00 H new ATOM 0 HA3 GLY T 10 -3.609 -1.121 -14.561 1.00 0.00 H new ATOM 156 N LYS T 11 -3.039 -1.929 -11.962 1.00 0.00 N ATOM 157 CA LYS T 11 -2.188 -2.184 -10.806 1.00 0.00 C ATOM 158 C LYS T 11 -0.723 -1.924 -11.141 1.00 0.00 C ATOM 159 O LYS T 11 -0.313 -2.022 -12.299 1.00 0.00 O ATOM 160 CB LYS T 11 -2.369 -3.627 -10.329 1.00 0.00 C ATOM 161 CG LYS T 11 -1.302 -4.081 -9.344 1.00 0.00 C ATOM 162 CD LYS T 11 -1.751 -5.304 -8.563 1.00 0.00 C ATOM 163 CE LYS T 11 -0.688 -6.391 -8.567 1.00 0.00 C ATOM 164 NZ LYS T 11 -0.437 -6.918 -9.936 1.00 0.00 N ATOM 0 H LYS T 11 -3.546 -2.748 -12.299 1.00 0.00 H new ATOM 0 HA LYS T 11 -2.483 -1.503 -10.007 1.00 0.00 H new ATOM 0 HB2 LYS T 11 -3.349 -3.726 -9.862 1.00 0.00 H new ATOM 0 HB3 LYS T 11 -2.359 -4.291 -11.194 1.00 0.00 H new ATOM 0 HG2 LYS T 11 -0.382 -4.309 -9.882 1.00 0.00 H new ATOM 0 HG3 LYS T 11 -1.074 -3.270 -8.653 1.00 0.00 H new ATOM 0 HD2 LYS T 11 -1.976 -5.018 -7.536 1.00 0.00 H new ATOM 0 HD3 LYS T 11 -2.673 -5.694 -8.995 1.00 0.00 H new ATOM 0 HE2 LYS T 11 0.240 -5.993 -8.156 1.00 0.00 H new ATOM 0 HE3 LYS T 11 -1.001 -7.207 -7.916 1.00 0.00 H new ATOM 0 HZ1 LYS T 11 -0.063 -7.886 -9.872 1.00 0.00 H new ATOM 0 HZ2 LYS T 11 -1.327 -6.926 -10.474 1.00 0.00 H new ATOM 0 HZ3 LYS T 11 0.254 -6.311 -10.420 1.00 0.00 H new ATOM 178 N TYR T 12 0.063 -1.593 -10.121 1.00 0.00 N ATOM 179 CA TYR T 12 1.483 -1.318 -10.306 1.00 0.00 C ATOM 180 C TYR T 12 1.692 -0.198 -11.317 1.00 0.00 C ATOM 181 O TYR T 12 2.448 -0.347 -12.278 1.00 0.00 O ATOM 182 CB TYR T 12 2.215 -2.582 -10.763 1.00 0.00 C ATOM 183 CG TYR T 12 2.404 -3.608 -9.667 1.00 0.00 C ATOM 184 CD1 TYR T 12 1.815 -3.437 -8.420 1.00 0.00 C ATOM 185 CD2 TYR T 12 3.170 -4.747 -9.880 1.00 0.00 C ATOM 186 CE1 TYR T 12 1.985 -4.371 -7.416 1.00 0.00 C ATOM 187 CE2 TYR T 12 3.343 -5.686 -8.880 1.00 0.00 C ATOM 188 CZ TYR T 12 2.749 -5.495 -7.651 1.00 0.00 C ATOM 189 OH TYR T 12 2.921 -6.427 -6.655 1.00 0.00 O ATOM 0 H TYR T 12 -0.260 -1.509 -9.157 1.00 0.00 H new ATOM 0 HA TYR T 12 1.894 -0.998 -9.348 1.00 0.00 H new ATOM 0 HB2 TYR T 12 1.658 -3.037 -11.582 1.00 0.00 H new ATOM 0 HB3 TYR T 12 3.191 -2.302 -11.158 1.00 0.00 H new ATOM 0 HD1 TYR T 12 1.214 -2.559 -8.232 1.00 0.00 H new ATOM 0 HD2 TYR T 12 3.637 -4.901 -10.841 1.00 0.00 H new ATOM 0 HE1 TYR T 12 1.522 -4.222 -6.452 1.00 0.00 H new ATOM 0 HE2 TYR T 12 3.942 -6.566 -9.061 1.00 0.00 H new ATOM 0 HH TYR T 12 3.485 -7.158 -6.985 1.00 0.00 H new ATOM 199 N LYS T 13 1.012 0.922 -11.098 1.00 0.00 N ATOM 200 CA LYS T 13 1.115 2.068 -11.986 1.00 0.00 C ATOM 201 C LYS T 13 1.076 3.370 -11.191 1.00 0.00 C ATOM 202 O LYS T 13 1.126 4.459 -11.761 1.00 0.00 O ATOM 203 CB LYS T 13 -0.026 2.040 -12.998 1.00 0.00 C ATOM 204 CG LYS T 13 0.362 1.434 -14.337 1.00 0.00 C ATOM 205 CD LYS T 13 -0.336 2.133 -15.491 1.00 0.00 C ATOM 206 CE LYS T 13 -0.904 1.133 -16.486 1.00 0.00 C ATOM 207 NZ LYS T 13 0.109 0.716 -17.495 1.00 0.00 N ATOM 0 H LYS T 13 0.381 1.058 -10.308 1.00 0.00 H new ATOM 0 HA LYS T 13 2.067 2.016 -12.514 1.00 0.00 H new ATOM 0 HB2 LYS T 13 -0.858 1.473 -12.580 1.00 0.00 H new ATOM 0 HB3 LYS T 13 -0.383 3.057 -13.159 1.00 0.00 H new ATOM 0 HG2 LYS T 13 1.442 1.503 -14.469 1.00 0.00 H new ATOM 0 HG3 LYS T 13 0.107 0.374 -14.345 1.00 0.00 H new ATOM 0 HD2 LYS T 13 -1.139 2.761 -15.105 1.00 0.00 H new ATOM 0 HD3 LYS T 13 0.368 2.793 -15.998 1.00 0.00 H new ATOM 0 HE2 LYS T 13 -1.266 0.255 -15.951 1.00 0.00 H new ATOM 0 HE3 LYS T 13 -1.762 1.574 -16.994 1.00 0.00 H new ATOM 0 HZ1 LYS T 13 -0.318 0.034 -18.154 1.00 0.00 H new ATOM 0 HZ2 LYS T 13 0.437 1.550 -18.023 1.00 0.00 H new ATOM 0 HZ3 LYS T 13 0.917 0.272 -17.013 1.00 0.00 H new ATOM 221 N LEU T 14 0.981 3.244 -9.872 1.00 0.00 N ATOM 222 CA LEU T 14 0.928 4.402 -8.990 1.00 0.00 C ATOM 223 C LEU T 14 2.259 4.615 -8.280 1.00 0.00 C ATOM 224 O LEU T 14 2.964 3.661 -7.954 1.00 0.00 O ATOM 225 CB LEU T 14 -0.182 4.220 -7.954 1.00 0.00 C ATOM 226 CG LEU T 14 -1.583 4.616 -8.421 1.00 0.00 C ATOM 227 CD1 LEU T 14 -2.636 3.807 -7.679 1.00 0.00 C ATOM 228 CD2 LEU T 14 -1.812 6.105 -8.222 1.00 0.00 C ATOM 0 H LEU T 14 0.939 2.347 -9.389 1.00 0.00 H new ATOM 0 HA LEU T 14 0.719 5.281 -9.600 1.00 0.00 H new ATOM 0 HB2 LEU T 14 -0.201 3.174 -7.646 1.00 0.00 H new ATOM 0 HB3 LEU T 14 0.068 4.807 -7.071 1.00 0.00 H new ATOM 0 HG LEU T 14 -1.668 4.398 -9.486 1.00 0.00 H new ATOM 0 HD11 LEU T 14 -3.628 4.100 -8.022 1.00 0.00 H new ATOM 0 HD12 LEU T 14 -2.483 2.745 -7.874 1.00 0.00 H new ATOM 0 HD13 LEU T 14 -2.552 3.995 -6.609 1.00 0.00 H new ATOM 0 HD21 LEU T 14 -2.814 6.367 -8.560 1.00 0.00 H new ATOM 0 HD22 LEU T 14 -1.710 6.351 -7.165 1.00 0.00 H new ATOM 0 HD23 LEU T 14 -1.076 6.666 -8.798 1.00 0.00 H new ATOM 240 N THR T 15 2.586 5.877 -8.034 1.00 0.00 N ATOM 241 CA THR T 15 3.822 6.230 -7.349 1.00 0.00 C ATOM 242 C THR T 15 3.508 6.864 -6.002 1.00 0.00 C ATOM 243 O THR T 15 2.441 7.446 -5.823 1.00 0.00 O ATOM 244 CB THR T 15 4.672 7.209 -8.182 1.00 0.00 C ATOM 245 OG1 THR T 15 4.068 8.508 -8.178 1.00 0.00 O ATOM 246 CG2 THR T 15 4.815 6.716 -9.615 1.00 0.00 C ATOM 0 H THR T 15 2.010 6.676 -8.300 1.00 0.00 H new ATOM 0 HA THR T 15 4.393 5.312 -7.207 1.00 0.00 H new ATOM 0 HB THR T 15 5.664 7.268 -7.733 1.00 0.00 H new ATOM 0 HG1 THR T 15 4.615 9.125 -8.708 1.00 0.00 H new ATOM 0 HG21 THR T 15 5.419 7.423 -10.184 1.00 0.00 H new ATOM 0 HG22 THR T 15 5.300 5.740 -9.617 1.00 0.00 H new ATOM 0 HG23 THR T 15 3.829 6.632 -10.071 1.00 0.00 H new ATOM 254 N TYR T 16 4.429 6.746 -5.055 1.00 0.00 N ATOM 255 CA TYR T 16 4.219 7.313 -3.728 1.00 0.00 C ATOM 256 C TYR T 16 3.495 8.653 -3.821 1.00 0.00 C ATOM 257 O TYR T 16 2.613 8.951 -3.016 1.00 0.00 O ATOM 258 CB TYR T 16 5.549 7.491 -3.000 1.00 0.00 C ATOM 259 CG TYR T 16 5.422 8.244 -1.697 1.00 0.00 C ATOM 260 CD1 TYR T 16 4.833 7.653 -0.585 1.00 0.00 C ATOM 261 CD2 TYR T 16 5.884 9.548 -1.581 1.00 0.00 C ATOM 262 CE1 TYR T 16 4.711 8.341 0.606 1.00 0.00 C ATOM 263 CE2 TYR T 16 5.767 10.243 -0.392 1.00 0.00 C ATOM 264 CZ TYR T 16 5.179 9.635 0.698 1.00 0.00 C ATOM 265 OH TYR T 16 5.059 10.324 1.883 1.00 0.00 O ATOM 0 H TYR T 16 5.321 6.267 -5.178 1.00 0.00 H new ATOM 0 HA TYR T 16 3.599 6.618 -3.161 1.00 0.00 H new ATOM 0 HB2 TYR T 16 5.982 6.510 -2.804 1.00 0.00 H new ATOM 0 HB3 TYR T 16 6.244 8.021 -3.652 1.00 0.00 H new ATOM 0 HD1 TYR T 16 4.465 6.640 -0.654 1.00 0.00 H new ATOM 0 HD2 TYR T 16 6.342 10.027 -2.434 1.00 0.00 H new ATOM 0 HE1 TYR T 16 4.251 7.868 1.461 1.00 0.00 H new ATOM 0 HE2 TYR T 16 6.134 11.256 -0.317 1.00 0.00 H new ATOM 0 HH TYR T 16 5.439 11.221 1.780 1.00 0.00 H new ATOM 275 N ALA T 17 3.875 9.457 -4.810 1.00 0.00 N ATOM 276 CA ALA T 17 3.263 10.765 -5.009 1.00 0.00 C ATOM 277 C ALA T 17 1.863 10.639 -5.605 1.00 0.00 C ATOM 278 O ALA T 17 0.952 11.374 -5.223 1.00 0.00 O ATOM 279 CB ALA T 17 4.143 11.627 -5.902 1.00 0.00 C ATOM 0 H ALA T 17 4.603 9.225 -5.485 1.00 0.00 H new ATOM 0 HA ALA T 17 3.169 11.244 -4.034 1.00 0.00 H new ATOM 0 HB1 ALA T 17 3.675 12.601 -6.043 1.00 0.00 H new ATOM 0 HB2 ALA T 17 5.119 11.758 -5.434 1.00 0.00 H new ATOM 0 HB3 ALA T 17 4.267 11.141 -6.870 1.00 0.00 H new ATOM 285 N GLU T 18 1.691 9.700 -6.533 1.00 0.00 N ATOM 286 CA GLU T 18 0.397 9.482 -7.161 1.00 0.00 C ATOM 287 C GLU T 18 -0.569 8.870 -6.159 1.00 0.00 C ATOM 288 O GLU T 18 -1.721 9.292 -6.044 1.00 0.00 O ATOM 289 CB GLU T 18 0.553 8.563 -8.369 1.00 0.00 C ATOM 290 CG GLU T 18 1.362 9.179 -9.499 1.00 0.00 C ATOM 291 CD GLU T 18 1.445 8.281 -10.717 1.00 0.00 C ATOM 292 OE1 GLU T 18 1.636 7.059 -10.540 1.00 0.00 O ATOM 293 OE2 GLU T 18 1.319 8.798 -11.846 1.00 0.00 O ATOM 0 H GLU T 18 2.431 9.081 -6.864 1.00 0.00 H new ATOM 0 HA GLU T 18 -0.002 10.439 -7.496 1.00 0.00 H new ATOM 0 HB2 GLU T 18 1.033 7.637 -8.052 1.00 0.00 H new ATOM 0 HB3 GLU T 18 -0.436 8.297 -8.743 1.00 0.00 H new ATOM 0 HG2 GLU T 18 0.914 10.131 -9.784 1.00 0.00 H new ATOM 0 HG3 GLU T 18 2.369 9.395 -9.143 1.00 0.00 H new ATOM 300 N ALA T 19 -0.079 7.879 -5.426 1.00 0.00 N ATOM 301 CA ALA T 19 -0.873 7.201 -4.415 1.00 0.00 C ATOM 302 C ALA T 19 -1.378 8.195 -3.376 1.00 0.00 C ATOM 303 O ALA T 19 -2.554 8.187 -3.006 1.00 0.00 O ATOM 304 CB ALA T 19 -0.038 6.119 -3.750 1.00 0.00 C ATOM 0 H ALA T 19 0.874 7.526 -5.516 1.00 0.00 H new ATOM 0 HA ALA T 19 -1.737 6.741 -4.894 1.00 0.00 H new ATOM 0 HB1 ALA T 19 -0.636 5.612 -2.992 1.00 0.00 H new ATOM 0 HB2 ALA T 19 0.286 5.397 -4.500 1.00 0.00 H new ATOM 0 HB3 ALA T 19 0.836 6.571 -3.280 1.00 0.00 H new ATOM 310 N LYS T 20 -0.475 9.055 -2.916 1.00 0.00 N ATOM 311 CA LYS T 20 -0.811 10.066 -1.925 1.00 0.00 C ATOM 312 C LYS T 20 -1.756 11.101 -2.519 1.00 0.00 C ATOM 313 O LYS T 20 -2.533 11.732 -1.804 1.00 0.00 O ATOM 314 CB LYS T 20 0.461 10.747 -1.423 1.00 0.00 C ATOM 315 CG LYS T 20 0.307 11.397 -0.057 1.00 0.00 C ATOM 316 CD LYS T 20 0.999 12.749 0.000 1.00 0.00 C ATOM 317 CE LYS T 20 1.046 13.293 1.419 1.00 0.00 C ATOM 318 NZ LYS T 20 2.080 14.353 1.576 1.00 0.00 N ATOM 0 H LYS T 20 0.500 9.070 -3.217 1.00 0.00 H new ATOM 0 HA LYS T 20 -1.311 9.580 -1.087 1.00 0.00 H new ATOM 0 HB2 LYS T 20 1.263 10.010 -1.377 1.00 0.00 H new ATOM 0 HB3 LYS T 20 0.766 11.505 -2.144 1.00 0.00 H new ATOM 0 HG2 LYS T 20 -0.752 11.520 0.171 1.00 0.00 H new ATOM 0 HG3 LYS T 20 0.724 10.742 0.708 1.00 0.00 H new ATOM 0 HD2 LYS T 20 2.013 12.656 -0.389 1.00 0.00 H new ATOM 0 HD3 LYS T 20 0.474 13.455 -0.644 1.00 0.00 H new ATOM 0 HE2 LYS T 20 0.069 13.697 1.685 1.00 0.00 H new ATOM 0 HE3 LYS T 20 1.254 12.478 2.113 1.00 0.00 H new ATOM 0 HZ1 LYS T 20 2.079 14.697 2.558 1.00 0.00 H new ATOM 0 HZ2 LYS T 20 3.016 13.962 1.347 1.00 0.00 H new ATOM 0 HZ3 LYS T 20 1.868 15.142 0.933 1.00 0.00 H new ATOM 332 N ALA T 21 -1.684 11.267 -3.834 1.00 0.00 N ATOM 333 CA ALA T 21 -2.534 12.224 -4.529 1.00 0.00 C ATOM 334 C ALA T 21 -3.985 11.766 -4.523 1.00 0.00 C ATOM 335 O ALA T 21 -4.898 12.567 -4.331 1.00 0.00 O ATOM 336 CB ALA T 21 -2.050 12.429 -5.956 1.00 0.00 C ATOM 0 H ALA T 21 -1.046 10.751 -4.440 1.00 0.00 H new ATOM 0 HA ALA T 21 -2.474 13.175 -4.001 1.00 0.00 H new ATOM 0 HB1 ALA T 21 -2.697 13.147 -6.460 1.00 0.00 H new ATOM 0 HB2 ALA T 21 -1.028 12.808 -5.943 1.00 0.00 H new ATOM 0 HB3 ALA T 21 -2.078 11.479 -6.490 1.00 0.00 H new ATOM 342 N VAL T 22 -4.191 10.470 -4.731 1.00 0.00 N ATOM 343 CA VAL T 22 -5.534 9.902 -4.748 1.00 0.00 C ATOM 344 C VAL T 22 -6.192 10.022 -3.382 1.00 0.00 C ATOM 345 O VAL T 22 -7.319 10.503 -3.266 1.00 0.00 O ATOM 346 CB VAL T 22 -5.516 8.421 -5.177 1.00 0.00 C ATOM 347 CG1 VAL T 22 -6.723 7.684 -4.618 1.00 0.00 C ATOM 348 CG2 VAL T 22 -5.464 8.305 -6.692 1.00 0.00 C ATOM 0 H VAL T 22 -3.445 9.793 -4.890 1.00 0.00 H new ATOM 0 HA VAL T 22 -6.111 10.470 -5.477 1.00 0.00 H new ATOM 0 HB VAL T 22 -4.619 7.956 -4.769 1.00 0.00 H new ATOM 0 HG11 VAL T 22 -6.690 6.641 -4.933 1.00 0.00 H new ATOM 0 HG12 VAL T 22 -6.708 7.735 -3.529 1.00 0.00 H new ATOM 0 HG13 VAL T 22 -7.637 8.147 -4.991 1.00 0.00 H new ATOM 0 HG21 VAL T 22 -5.452 7.253 -6.976 1.00 0.00 H new ATOM 0 HG22 VAL T 22 -6.341 8.788 -7.124 1.00 0.00 H new ATOM 0 HG23 VAL T 22 -4.562 8.791 -7.063 1.00 0.00 H new ATOM 358 N CYS T 23 -5.482 9.591 -2.350 1.00 0.00 N ATOM 359 CA CYS T 23 -6.007 9.666 -0.993 1.00 0.00 C ATOM 360 C CYS T 23 -6.160 11.122 -0.569 1.00 0.00 C ATOM 361 O CYS T 23 -7.229 11.543 -0.130 1.00 0.00 O ATOM 362 CB CYS T 23 -5.096 8.926 -0.014 1.00 0.00 C ATOM 363 SG CYS T 23 -5.979 7.777 1.092 1.00 0.00 S ATOM 0 H CYS T 23 -4.548 9.188 -2.424 1.00 0.00 H new ATOM 0 HA CYS T 23 -6.986 9.186 -0.979 1.00 0.00 H new ATOM 0 HB2 CYS T 23 -4.348 8.369 -0.579 1.00 0.00 H new ATOM 0 HB3 CYS T 23 -4.559 9.657 0.591 1.00 0.00 H new ATOM 368 N GLU T 24 -5.084 11.889 -0.716 1.00 0.00 N ATOM 369 CA GLU T 24 -5.102 13.302 -0.359 1.00 0.00 C ATOM 370 C GLU T 24 -5.933 14.098 -1.358 1.00 0.00 C ATOM 371 O GLU T 24 -6.124 15.305 -1.202 1.00 0.00 O ATOM 372 CB GLU T 24 -3.678 13.858 -0.304 1.00 0.00 C ATOM 373 CG GLU T 24 -3.535 15.084 0.582 1.00 0.00 C ATOM 374 CD GLU T 24 -2.164 15.187 1.220 1.00 0.00 C ATOM 375 OE1 GLU T 24 -1.203 15.547 0.507 1.00 0.00 O ATOM 376 OE2 GLU T 24 -2.051 14.911 2.432 1.00 0.00 O ATOM 0 H GLU T 24 -4.191 11.556 -1.079 1.00 0.00 H new ATOM 0 HA GLU T 24 -5.556 13.397 0.627 1.00 0.00 H new ATOM 0 HB2 GLU T 24 -3.007 13.079 0.058 1.00 0.00 H new ATOM 0 HB3 GLU T 24 -3.357 14.111 -1.314 1.00 0.00 H new ATOM 0 HG2 GLU T 24 -3.724 15.979 -0.010 1.00 0.00 H new ATOM 0 HG3 GLU T 24 -4.294 15.053 1.364 1.00 0.00 H new ATOM 383 N PHE T 25 -6.430 13.413 -2.384 1.00 0.00 N ATOM 384 CA PHE T 25 -7.246 14.050 -3.408 1.00 0.00 C ATOM 385 C PHE T 25 -8.558 14.538 -2.818 1.00 0.00 C ATOM 386 O PHE T 25 -8.999 15.656 -3.084 1.00 0.00 O ATOM 387 CB PHE T 25 -7.530 13.063 -4.542 1.00 0.00 C ATOM 388 CG PHE T 25 -7.529 13.696 -5.902 1.00 0.00 C ATOM 389 CD1 PHE T 25 -6.339 14.047 -6.516 1.00 0.00 C ATOM 390 CD2 PHE T 25 -8.720 13.935 -6.566 1.00 0.00 C ATOM 391 CE1 PHE T 25 -6.335 14.628 -7.769 1.00 0.00 C ATOM 392 CE2 PHE T 25 -8.724 14.516 -7.821 1.00 0.00 C ATOM 393 CZ PHE T 25 -7.529 14.864 -8.423 1.00 0.00 C ATOM 0 H PHE T 25 -6.280 12.414 -2.527 1.00 0.00 H new ATOM 0 HA PHE T 25 -6.697 14.905 -3.802 1.00 0.00 H new ATOM 0 HB2 PHE T 25 -6.782 12.270 -4.519 1.00 0.00 H new ATOM 0 HB3 PHE T 25 -8.498 12.593 -4.370 1.00 0.00 H new ATOM 0 HD1 PHE T 25 -5.403 13.864 -6.009 1.00 0.00 H new ATOM 0 HD2 PHE T 25 -9.656 13.665 -6.099 1.00 0.00 H new ATOM 0 HE1 PHE T 25 -5.400 14.898 -8.237 1.00 0.00 H new ATOM 0 HE2 PHE T 25 -9.659 14.698 -8.330 1.00 0.00 H new ATOM 0 HZ PHE T 25 -7.529 15.319 -9.402 1.00 0.00 H new ATOM 403 N GLU T 26 -9.178 13.682 -2.018 1.00 0.00 N ATOM 404 CA GLU T 26 -10.447 14.008 -1.386 1.00 0.00 C ATOM 405 C GLU T 26 -10.329 13.965 0.133 1.00 0.00 C ATOM 406 O GLU T 26 -11.028 13.201 0.801 1.00 0.00 O ATOM 407 CB GLU T 26 -11.520 13.034 -1.861 1.00 0.00 C ATOM 408 CG GLU T 26 -11.220 12.433 -3.222 1.00 0.00 C ATOM 409 CD GLU T 26 -12.367 11.602 -3.761 1.00 0.00 C ATOM 410 OE1 GLU T 26 -13.501 12.121 -3.816 1.00 0.00 O ATOM 411 OE2 GLU T 26 -12.131 10.431 -4.126 1.00 0.00 O ATOM 0 H GLU T 26 -8.821 12.754 -1.791 1.00 0.00 H new ATOM 0 HA GLU T 26 -10.727 15.022 -1.671 1.00 0.00 H new ATOM 0 HB2 GLU T 26 -11.622 12.231 -1.131 1.00 0.00 H new ATOM 0 HB3 GLU T 26 -12.479 13.551 -1.902 1.00 0.00 H new ATOM 0 HG2 GLU T 26 -10.995 13.234 -3.926 1.00 0.00 H new ATOM 0 HG3 GLU T 26 -10.328 11.811 -3.151 1.00 0.00 H new ATOM 418 N GLY T 27 -9.442 14.793 0.670 1.00 0.00 N ATOM 419 CA GLY T 27 -9.243 14.844 2.105 1.00 0.00 C ATOM 420 C GLY T 27 -8.964 13.476 2.695 1.00 0.00 C ATOM 421 O GLY T 27 -9.664 13.032 3.606 1.00 0.00 O ATOM 0 H GLY T 27 -8.855 15.432 0.135 1.00 0.00 H new ATOM 0 HA2 GLY T 27 -8.411 15.511 2.331 1.00 0.00 H new ATOM 0 HA3 GLY T 27 -10.129 15.268 2.578 1.00 0.00 H new ATOM 425 N GLY T 28 -7.939 12.807 2.178 1.00 0.00 N ATOM 426 CA GLY T 28 -7.589 11.489 2.674 1.00 0.00 C ATOM 427 C GLY T 28 -6.088 11.313 2.793 1.00 0.00 C ATOM 428 O GLY T 28 -5.317 12.122 2.276 1.00 0.00 O ATOM 0 H GLY T 28 -7.345 13.154 1.425 1.00 0.00 H new ATOM 0 HA2 GLY T 28 -8.052 11.333 3.648 1.00 0.00 H new ATOM 0 HA3 GLY T 28 -7.992 10.730 2.004 1.00 0.00 H new ATOM 432 N HIS T 29 -5.674 10.256 3.482 1.00 0.00 N ATOM 433 CA HIS T 29 -4.263 9.971 3.678 1.00 0.00 C ATOM 434 C HIS T 29 -3.952 8.529 3.305 1.00 0.00 C ATOM 435 O HIS T 29 -4.719 7.621 3.621 1.00 0.00 O ATOM 436 CB HIS T 29 -3.879 10.222 5.132 1.00 0.00 C ATOM 437 CG HIS T 29 -5.052 10.465 6.030 1.00 0.00 C ATOM 438 ND1 HIS T 29 -6.072 11.340 5.719 1.00 0.00 N ATOM 439 CD2 HIS T 29 -5.364 9.942 7.237 1.00 0.00 C ATOM 440 CE1 HIS T 29 -6.960 11.345 6.698 1.00 0.00 C ATOM 441 NE2 HIS T 29 -6.554 10.505 7.631 1.00 0.00 N ATOM 0 H HIS T 29 -6.302 9.580 3.916 1.00 0.00 H new ATOM 0 HA HIS T 29 -3.684 10.631 3.033 1.00 0.00 H new ATOM 0 HB2 HIS T 29 -3.319 9.364 5.504 1.00 0.00 H new ATOM 0 HB3 HIS T 29 -3.212 11.083 5.179 1.00 0.00 H new ATOM 0 HD2 HIS T 29 -4.785 9.216 7.789 1.00 0.00 H new ATOM 0 HE1 HIS T 29 -7.864 11.936 6.729 1.00 0.00 H new ATOM 0 HE2 HIS T 29 -7.044 10.306 8.503 1.00 0.00 H new ATOM 450 N LEU T 30 -2.823 8.318 2.640 1.00 0.00 N ATOM 451 CA LEU T 30 -2.431 6.975 2.241 1.00 0.00 C ATOM 452 C LEU T 30 -1.940 6.187 3.448 1.00 0.00 C ATOM 453 O LEU T 30 -1.039 6.620 4.166 1.00 0.00 O ATOM 454 CB LEU T 30 -1.364 7.020 1.143 1.00 0.00 C ATOM 455 CG LEU T 30 0.019 6.496 1.539 1.00 0.00 C ATOM 456 CD1 LEU T 30 0.224 5.084 1.015 1.00 0.00 C ATOM 457 CD2 LEU T 30 1.110 7.423 1.017 1.00 0.00 C ATOM 0 H LEU T 30 -2.169 9.052 2.368 1.00 0.00 H new ATOM 0 HA LEU T 30 -3.305 6.468 1.833 1.00 0.00 H new ATOM 0 HB2 LEU T 30 -1.721 6.441 0.291 1.00 0.00 H new ATOM 0 HB3 LEU T 30 -1.259 8.051 0.806 1.00 0.00 H new ATOM 0 HG LEU T 30 0.079 6.471 2.627 1.00 0.00 H new ATOM 0 HD11 LEU T 30 1.212 4.728 1.306 1.00 0.00 H new ATOM 0 HD12 LEU T 30 -0.537 4.426 1.435 1.00 0.00 H new ATOM 0 HD13 LEU T 30 0.144 5.084 -0.072 1.00 0.00 H new ATOM 0 HD21 LEU T 30 2.086 7.035 1.308 1.00 0.00 H new ATOM 0 HD22 LEU T 30 1.051 7.479 -0.070 1.00 0.00 H new ATOM 0 HD23 LEU T 30 0.974 8.419 1.440 1.00 0.00 H new ATOM 469 N ALA T 31 -2.557 5.035 3.670 1.00 0.00 N ATOM 470 CA ALA T 31 -2.208 4.181 4.798 1.00 0.00 C ATOM 471 C ALA T 31 -0.704 3.949 4.878 1.00 0.00 C ATOM 472 O ALA T 31 -0.002 4.001 3.868 1.00 0.00 O ATOM 473 CB ALA T 31 -2.944 2.854 4.702 1.00 0.00 C ATOM 0 H ALA T 31 -3.305 4.669 3.081 1.00 0.00 H new ATOM 0 HA ALA T 31 -2.514 4.692 5.711 1.00 0.00 H new ATOM 0 HB1 ALA T 31 -2.674 2.226 5.551 1.00 0.00 H new ATOM 0 HB2 ALA T 31 -4.019 3.033 4.710 1.00 0.00 H new ATOM 0 HB3 ALA T 31 -2.667 2.351 3.776 1.00 0.00 H new ATOM 479 N THR T 32 -0.217 3.689 6.087 1.00 0.00 N ATOM 480 CA THR T 32 1.204 3.444 6.302 1.00 0.00 C ATOM 481 C THR T 32 1.469 1.969 6.562 1.00 0.00 C ATOM 482 O THR T 32 0.617 1.119 6.307 1.00 0.00 O ATOM 483 CB THR T 32 1.741 4.252 7.496 1.00 0.00 C ATOM 484 OG1 THR T 32 1.226 3.714 8.722 1.00 0.00 O ATOM 485 CG2 THR T 32 1.358 5.717 7.375 1.00 0.00 C ATOM 0 H THR T 32 -0.786 3.643 6.933 1.00 0.00 H new ATOM 0 HA THR T 32 1.717 3.758 5.393 1.00 0.00 H new ATOM 0 HB THR T 32 2.829 4.179 7.497 1.00 0.00 H new ATOM 0 HG1 THR T 32 1.573 4.232 9.478 1.00 0.00 H new ATOM 0 HG21 THR T 32 1.749 6.267 8.231 1.00 0.00 H new ATOM 0 HG22 THR T 32 1.778 6.128 6.457 1.00 0.00 H new ATOM 0 HG23 THR T 32 0.272 5.808 7.350 1.00 0.00 H new ATOM 493 N TYR T 33 2.650 1.677 7.089 1.00 0.00 N ATOM 494 CA TYR T 33 3.022 0.305 7.402 1.00 0.00 C ATOM 495 C TYR T 33 2.310 -0.152 8.664 1.00 0.00 C ATOM 496 O TYR T 33 1.414 -0.995 8.619 1.00 0.00 O ATOM 497 CB TYR T 33 4.533 0.186 7.598 1.00 0.00 C ATOM 498 CG TYR T 33 4.984 -1.173 8.086 1.00 0.00 C ATOM 499 CD1 TYR T 33 4.818 -2.304 7.297 1.00 0.00 C ATOM 500 CD2 TYR T 33 5.568 -1.325 9.337 1.00 0.00 C ATOM 501 CE1 TYR T 33 5.223 -3.548 7.740 1.00 0.00 C ATOM 502 CE2 TYR T 33 5.977 -2.566 9.787 1.00 0.00 C ATOM 503 CZ TYR T 33 5.802 -3.674 8.985 1.00 0.00 C ATOM 504 OH TYR T 33 6.206 -4.912 9.429 1.00 0.00 O ATOM 0 H TYR T 33 3.365 2.370 7.308 1.00 0.00 H new ATOM 0 HA TYR T 33 2.725 -0.329 6.566 1.00 0.00 H new ATOM 0 HB2 TYR T 33 5.030 0.405 6.653 1.00 0.00 H new ATOM 0 HB3 TYR T 33 4.857 0.943 8.312 1.00 0.00 H new ATOM 0 HD1 TYR T 33 4.365 -2.209 6.321 1.00 0.00 H new ATOM 0 HD2 TYR T 33 5.705 -0.459 9.968 1.00 0.00 H new ATOM 0 HE1 TYR T 33 5.087 -4.418 7.114 1.00 0.00 H new ATOM 0 HE2 TYR T 33 6.431 -2.667 10.762 1.00 0.00 H new ATOM 0 HH TYR T 33 6.595 -4.827 10.325 1.00 0.00 H new ATOM 514 N LYS T 34 2.717 0.419 9.789 1.00 0.00 N ATOM 515 CA LYS T 34 2.124 0.088 11.076 1.00 0.00 C ATOM 516 C LYS T 34 0.603 0.086 10.980 1.00 0.00 C ATOM 517 O LYS T 34 -0.059 -0.803 11.516 1.00 0.00 O ATOM 518 CB LYS T 34 2.579 1.084 12.144 1.00 0.00 C ATOM 519 CG LYS T 34 4.063 1.019 12.466 1.00 0.00 C ATOM 520 CD LYS T 34 4.314 1.118 13.962 1.00 0.00 C ATOM 521 CE LYS T 34 5.778 1.396 14.266 1.00 0.00 C ATOM 522 NZ LYS T 34 6.043 2.852 14.429 1.00 0.00 N ATOM 0 H LYS T 34 3.459 1.117 9.836 1.00 0.00 H new ATOM 0 HA LYS T 34 2.457 -0.910 11.360 1.00 0.00 H new ATOM 0 HB2 LYS T 34 2.335 2.093 11.811 1.00 0.00 H new ATOM 0 HB3 LYS T 34 2.012 0.904 13.058 1.00 0.00 H new ATOM 0 HG2 LYS T 34 4.478 0.085 12.088 1.00 0.00 H new ATOM 0 HG3 LYS T 34 4.583 1.829 11.954 1.00 0.00 H new ATOM 0 HD2 LYS T 34 3.697 1.912 14.383 1.00 0.00 H new ATOM 0 HD3 LYS T 34 4.011 0.189 14.445 1.00 0.00 H new ATOM 0 HE2 LYS T 34 6.066 0.870 15.176 1.00 0.00 H new ATOM 0 HE3 LYS T 34 6.398 1.002 13.460 1.00 0.00 H new ATOM 0 HZ1 LYS T 34 7.052 3.000 14.635 1.00 0.00 H new ATOM 0 HZ2 LYS T 34 5.792 3.351 13.552 1.00 0.00 H new ATOM 0 HZ3 LYS T 34 5.471 3.223 15.214 1.00 0.00 H new ATOM 536 N GLN T 35 0.054 1.082 10.290 1.00 0.00 N ATOM 537 CA GLN T 35 -1.386 1.188 10.122 1.00 0.00 C ATOM 538 C GLN T 35 -1.922 0.007 9.322 1.00 0.00 C ATOM 539 O GLN T 35 -2.916 -0.614 9.701 1.00 0.00 O ATOM 540 CB GLN T 35 -1.736 2.500 9.424 1.00 0.00 C ATOM 541 CG GLN T 35 -1.419 3.733 10.253 1.00 0.00 C ATOM 542 CD GLN T 35 -1.738 5.025 9.529 1.00 0.00 C ATOM 543 OE1 GLN T 35 -1.958 5.033 8.316 1.00 0.00 O ATOM 544 NE2 GLN T 35 -1.763 6.128 10.268 1.00 0.00 N ATOM 0 H GLN T 35 0.587 1.826 9.839 1.00 0.00 H new ATOM 0 HA GLN T 35 -1.852 1.175 11.107 1.00 0.00 H new ATOM 0 HB2 GLN T 35 -1.192 2.557 8.481 1.00 0.00 H new ATOM 0 HB3 GLN T 35 -2.798 2.500 9.180 1.00 0.00 H new ATOM 0 HG2 GLN T 35 -1.984 3.694 11.184 1.00 0.00 H new ATOM 0 HG3 GLN T 35 -0.363 3.723 10.521 1.00 0.00 H new ATOM 0 HE21 GLN T 35 -1.575 6.076 11.269 1.00 0.00 H new ATOM 0 HE22 GLN T 35 -1.970 7.028 9.835 1.00 0.00 H new ATOM 553 N LEU T 36 -1.247 -0.311 8.223 1.00 0.00 N ATOM 554 CA LEU T 36 -1.645 -1.425 7.386 1.00 0.00 C ATOM 555 C LEU T 36 -1.687 -2.698 8.215 1.00 0.00 C ATOM 556 O LEU T 36 -2.567 -3.540 8.046 1.00 0.00 O ATOM 557 CB LEU T 36 -0.660 -1.579 6.233 1.00 0.00 C ATOM 558 CG LEU T 36 -1.224 -2.234 4.970 1.00 0.00 C ATOM 559 CD1 LEU T 36 -1.538 -3.700 5.221 1.00 0.00 C ATOM 560 CD2 LEU T 36 -2.466 -1.496 4.497 1.00 0.00 C ATOM 0 H LEU T 36 -0.422 0.190 7.895 1.00 0.00 H new ATOM 0 HA LEU T 36 -2.638 -1.236 6.978 1.00 0.00 H new ATOM 0 HB2 LEU T 36 -0.277 -0.593 5.970 1.00 0.00 H new ATOM 0 HB3 LEU T 36 0.189 -2.168 6.579 1.00 0.00 H new ATOM 0 HG LEU T 36 -0.468 -2.175 4.187 1.00 0.00 H new ATOM 0 HD11 LEU T 36 -1.938 -4.147 4.311 1.00 0.00 H new ATOM 0 HD12 LEU T 36 -0.627 -4.223 5.512 1.00 0.00 H new ATOM 0 HD13 LEU T 36 -2.275 -3.783 6.020 1.00 0.00 H new ATOM 0 HD21 LEU T 36 -2.854 -1.975 3.598 1.00 0.00 H new ATOM 0 HD22 LEU T 36 -3.225 -1.523 5.279 1.00 0.00 H new ATOM 0 HD23 LEU T 36 -2.211 -0.460 4.275 1.00 0.00 H new ATOM 572 N GLU T 37 -0.729 -2.815 9.124 1.00 0.00 N ATOM 573 CA GLU T 37 -0.644 -3.970 10.006 1.00 0.00 C ATOM 574 C GLU T 37 -1.935 -4.133 10.793 1.00 0.00 C ATOM 575 O GLU T 37 -2.617 -5.152 10.691 1.00 0.00 O ATOM 576 CB GLU T 37 0.529 -3.811 10.973 1.00 0.00 C ATOM 577 CG GLU T 37 0.767 -5.036 11.837 1.00 0.00 C ATOM 578 CD GLU T 37 1.405 -4.697 13.170 1.00 0.00 C ATOM 579 OE1 GLU T 37 0.960 -3.722 13.811 1.00 0.00 O ATOM 580 OE2 GLU T 37 2.349 -5.408 13.573 1.00 0.00 O ATOM 0 H GLU T 37 0.003 -2.120 9.270 1.00 0.00 H new ATOM 0 HA GLU T 37 -0.487 -4.858 9.394 1.00 0.00 H new ATOM 0 HB2 GLU T 37 1.433 -3.596 10.404 1.00 0.00 H new ATOM 0 HB3 GLU T 37 0.345 -2.951 11.617 1.00 0.00 H new ATOM 0 HG2 GLU T 37 -0.182 -5.542 12.012 1.00 0.00 H new ATOM 0 HG3 GLU T 37 1.407 -5.736 11.300 1.00 0.00 H new ATOM 587 N ALA T 38 -2.258 -3.116 11.580 1.00 0.00 N ATOM 588 CA ALA T 38 -3.466 -3.130 12.393 1.00 0.00 C ATOM 589 C ALA T 38 -4.697 -3.400 11.539 1.00 0.00 C ATOM 590 O ALA T 38 -5.726 -3.852 12.041 1.00 0.00 O ATOM 591 CB ALA T 38 -3.616 -1.816 13.145 1.00 0.00 C ATOM 0 H ALA T 38 -1.698 -2.268 11.673 1.00 0.00 H new ATOM 0 HA ALA T 38 -3.376 -3.938 13.119 1.00 0.00 H new ATOM 0 HB1 ALA T 38 -4.524 -1.843 13.748 1.00 0.00 H new ATOM 0 HB2 ALA T 38 -2.753 -1.668 13.795 1.00 0.00 H new ATOM 0 HB3 ALA T 38 -3.678 -0.994 12.432 1.00 0.00 H new ATOM 597 N ALA T 39 -4.579 -3.137 10.242 1.00 0.00 N ATOM 598 CA ALA T 39 -5.677 -3.370 9.311 1.00 0.00 C ATOM 599 C ALA T 39 -5.574 -4.773 8.742 1.00 0.00 C ATOM 600 O ALA T 39 -6.573 -5.398 8.396 1.00 0.00 O ATOM 601 CB ALA T 39 -5.649 -2.341 8.192 1.00 0.00 C ATOM 0 H ALA T 39 -3.734 -2.762 9.811 1.00 0.00 H new ATOM 0 HA ALA T 39 -6.623 -3.271 9.844 1.00 0.00 H new ATOM 0 HB1 ALA T 39 -6.474 -2.528 7.505 1.00 0.00 H new ATOM 0 HB2 ALA T 39 -5.748 -1.341 8.615 1.00 0.00 H new ATOM 0 HB3 ALA T 39 -4.705 -2.415 7.653 1.00 0.00 H new ATOM 607 N ARG T 40 -4.347 -5.259 8.669 1.00 0.00 N ATOM 608 CA ARG T 40 -4.072 -6.587 8.165 1.00 0.00 C ATOM 609 C ARG T 40 -4.538 -7.630 9.167 1.00 0.00 C ATOM 610 O ARG T 40 -4.990 -8.713 8.794 1.00 0.00 O ATOM 611 CB ARG T 40 -2.573 -6.731 7.922 1.00 0.00 C ATOM 612 CG ARG T 40 -2.122 -8.166 7.701 1.00 0.00 C ATOM 613 CD ARG T 40 -0.609 -8.294 7.748 1.00 0.00 C ATOM 614 NE ARG T 40 -0.078 -8.081 9.092 1.00 0.00 N ATOM 615 CZ ARG T 40 0.440 -9.048 9.842 1.00 0.00 C ATOM 616 NH1 ARG T 40 0.496 -10.290 9.380 1.00 0.00 N ATOM 617 NH2 ARG T 40 0.901 -8.776 11.054 1.00 0.00 N ATOM 0 H ARG T 40 -3.516 -4.742 8.958 1.00 0.00 H new ATOM 0 HA ARG T 40 -4.608 -6.738 7.228 1.00 0.00 H new ATOM 0 HB2 ARG T 40 -2.297 -6.135 7.052 1.00 0.00 H new ATOM 0 HB3 ARG T 40 -2.035 -6.318 8.775 1.00 0.00 H new ATOM 0 HG2 ARG T 40 -2.565 -8.808 8.462 1.00 0.00 H new ATOM 0 HG3 ARG T 40 -2.487 -8.517 6.736 1.00 0.00 H new ATOM 0 HD2 ARG T 40 -0.319 -9.285 7.398 1.00 0.00 H new ATOM 0 HD3 ARG T 40 -0.164 -7.571 7.065 1.00 0.00 H new ATOM 0 HE ARG T 40 -0.106 -7.137 9.477 1.00 0.00 H new ATOM 0 HH11 ARG T 40 0.141 -10.504 8.448 1.00 0.00 H new ATOM 0 HH12 ARG T 40 0.894 -11.031 9.957 1.00 0.00 H new ATOM 0 HH21 ARG T 40 0.859 -7.822 11.414 1.00 0.00 H new ATOM 0 HH22 ARG T 40 1.298 -9.520 11.628 1.00 0.00 H new ATOM 631 N LYS T 41 -4.420 -7.291 10.445 1.00 0.00 N ATOM 632 CA LYS T 41 -4.823 -8.193 11.510 1.00 0.00 C ATOM 633 C LYS T 41 -6.341 -8.284 11.611 1.00 0.00 C ATOM 634 O LYS T 41 -6.877 -9.218 12.206 1.00 0.00 O ATOM 635 CB LYS T 41 -4.235 -7.736 12.845 1.00 0.00 C ATOM 636 CG LYS T 41 -2.758 -7.393 12.767 1.00 0.00 C ATOM 637 CD LYS T 41 -2.059 -7.632 14.095 1.00 0.00 C ATOM 638 CE LYS T 41 -1.611 -6.326 14.733 1.00 0.00 C ATOM 639 NZ LYS T 41 -2.730 -5.637 15.432 1.00 0.00 N ATOM 0 H LYS T 41 -4.048 -6.397 10.766 1.00 0.00 H new ATOM 0 HA LYS T 41 -4.438 -9.185 11.272 1.00 0.00 H new ATOM 0 HB2 LYS T 41 -4.785 -6.863 13.196 1.00 0.00 H new ATOM 0 HB3 LYS T 41 -4.379 -8.523 13.586 1.00 0.00 H new ATOM 0 HG2 LYS T 41 -2.284 -7.995 11.992 1.00 0.00 H new ATOM 0 HG3 LYS T 41 -2.641 -6.349 12.476 1.00 0.00 H new ATOM 0 HD2 LYS T 41 -2.733 -8.157 14.773 1.00 0.00 H new ATOM 0 HD3 LYS T 41 -1.195 -8.278 13.941 1.00 0.00 H new ATOM 0 HE2 LYS T 41 -0.808 -6.525 15.442 1.00 0.00 H new ATOM 0 HE3 LYS T 41 -1.203 -5.668 13.966 1.00 0.00 H new ATOM 0 HZ1 LYS T 41 -2.383 -4.751 15.853 1.00 0.00 H new ATOM 0 HZ2 LYS T 41 -3.486 -5.424 14.751 1.00 0.00 H new ATOM 0 HZ3 LYS T 41 -3.103 -6.254 16.181 1.00 0.00 H new ATOM 653 N ILE T 42 -7.028 -7.308 11.026 1.00 0.00 N ATOM 654 CA ILE T 42 -8.483 -7.284 11.052 1.00 0.00 C ATOM 655 C ILE T 42 -9.061 -8.068 9.881 1.00 0.00 C ATOM 656 O ILE T 42 -10.270 -8.290 9.805 1.00 0.00 O ATOM 657 CB ILE T 42 -9.018 -5.840 11.012 1.00 0.00 C ATOM 658 CG1 ILE T 42 -8.856 -5.248 9.613 1.00 0.00 C ATOM 659 CG2 ILE T 42 -8.296 -4.983 12.041 1.00 0.00 C ATOM 660 CD1 ILE T 42 -10.089 -4.528 9.112 1.00 0.00 C ATOM 0 H ILE T 42 -6.600 -6.526 10.530 1.00 0.00 H new ATOM 0 HA ILE T 42 -8.797 -7.751 11.986 1.00 0.00 H new ATOM 0 HB ILE T 42 -10.080 -5.855 11.256 1.00 0.00 H new ATOM 0 HG12 ILE T 42 -8.016 -4.553 9.617 1.00 0.00 H new ATOM 0 HG13 ILE T 42 -8.605 -6.048 8.916 1.00 0.00 H new ATOM 0 HG21 ILE T 42 -8.683 -3.965 12.003 1.00 0.00 H new ATOM 0 HG22 ILE T 42 -8.458 -5.396 13.037 1.00 0.00 H new ATOM 0 HG23 ILE T 42 -7.228 -4.974 11.822 1.00 0.00 H new ATOM 0 HD11 ILE T 42 -9.900 -4.134 8.113 1.00 0.00 H new ATOM 0 HD12 ILE T 42 -10.927 -5.224 9.075 1.00 0.00 H new ATOM 0 HD13 ILE T 42 -10.330 -3.706 9.786 1.00 0.00 H new ATOM 672 N GLY T 43 -8.187 -8.491 8.973 1.00 0.00 N ATOM 673 CA GLY T 43 -8.628 -9.251 7.820 1.00 0.00 C ATOM 674 C GLY T 43 -8.227 -8.598 6.512 1.00 0.00 C ATOM 675 O GLY T 43 -8.635 -9.046 5.440 1.00 0.00 O ATOM 0 H GLY T 43 -7.182 -8.321 9.016 1.00 0.00 H new ATOM 0 HA2 GLY T 43 -8.206 -10.255 7.867 1.00 0.00 H new ATOM 0 HA3 GLY T 43 -9.712 -9.359 7.852 1.00 0.00 H new ATOM 679 N PHE T 44 -7.427 -7.538 6.593 1.00 0.00 N ATOM 680 CA PHE T 44 -6.980 -6.837 5.394 1.00 0.00 C ATOM 681 C PHE T 44 -5.850 -7.598 4.708 1.00 0.00 C ATOM 682 O PHE T 44 -4.878 -7.998 5.350 1.00 0.00 O ATOM 683 CB PHE T 44 -6.523 -5.420 5.743 1.00 0.00 C ATOM 684 CG PHE T 44 -6.524 -4.475 4.572 1.00 0.00 C ATOM 685 CD1 PHE T 44 -6.952 -4.898 3.323 1.00 0.00 C ATOM 686 CD2 PHE T 44 -6.099 -3.164 4.721 1.00 0.00 C ATOM 687 CE1 PHE T 44 -6.956 -4.033 2.247 1.00 0.00 C ATOM 688 CE2 PHE T 44 -6.100 -2.294 3.648 1.00 0.00 C ATOM 689 CZ PHE T 44 -6.529 -2.729 2.409 1.00 0.00 C ATOM 0 H PHE T 44 -7.078 -7.149 7.469 1.00 0.00 H new ATOM 0 HA PHE T 44 -7.822 -6.776 4.705 1.00 0.00 H new ATOM 0 HB2 PHE T 44 -7.173 -5.020 6.521 1.00 0.00 H new ATOM 0 HB3 PHE T 44 -5.517 -5.465 6.160 1.00 0.00 H new ATOM 0 HD1 PHE T 44 -7.286 -5.916 3.190 1.00 0.00 H new ATOM 0 HD2 PHE T 44 -5.763 -2.819 5.688 1.00 0.00 H new ATOM 0 HE1 PHE T 44 -7.293 -4.375 1.280 1.00 0.00 H new ATOM 0 HE2 PHE T 44 -5.766 -1.275 3.778 1.00 0.00 H new ATOM 0 HZ PHE T 44 -6.531 -2.051 1.568 1.00 0.00 H new ATOM 699 N HIS T 45 -5.988 -7.799 3.401 1.00 0.00 N ATOM 700 CA HIS T 45 -4.982 -8.517 2.626 1.00 0.00 C ATOM 701 C HIS T 45 -4.999 -8.066 1.167 1.00 0.00 C ATOM 702 O HIS T 45 -6.054 -8.013 0.537 1.00 0.00 O ATOM 703 CB HIS T 45 -5.233 -10.026 2.709 1.00 0.00 C ATOM 704 CG HIS T 45 -4.220 -10.859 1.985 1.00 0.00 C ATOM 705 ND1 HIS T 45 -3.875 -12.135 2.382 1.00 0.00 N ATOM 706 CD2 HIS T 45 -3.479 -10.602 0.879 1.00 0.00 C ATOM 707 CE1 HIS T 45 -2.968 -12.622 1.555 1.00 0.00 C ATOM 708 NE2 HIS T 45 -2.711 -11.713 0.634 1.00 0.00 N ATOM 0 H HIS T 45 -6.787 -7.475 2.856 1.00 0.00 H new ATOM 0 HA HIS T 45 -4.001 -8.293 3.046 1.00 0.00 H new ATOM 0 HB2 HIS T 45 -5.248 -10.323 3.758 1.00 0.00 H new ATOM 0 HB3 HIS T 45 -6.221 -10.241 2.302 1.00 0.00 H new ATOM 0 HD1 HIS T 45 -4.261 -12.626 3.189 1.00 0.00 H new ATOM 0 HD2 HIS T 45 -3.491 -9.692 0.298 1.00 0.00 H new ATOM 0 HE1 HIS T 45 -2.513 -13.599 1.621 1.00 0.00 H new ATOM 717 N VAL T 46 -3.822 -7.748 0.636 1.00 0.00 N ATOM 718 CA VAL T 46 -3.705 -7.310 -0.750 1.00 0.00 C ATOM 719 C VAL T 46 -2.332 -7.648 -1.323 1.00 0.00 C ATOM 720 O VAL T 46 -1.357 -6.935 -1.082 1.00 0.00 O ATOM 721 CB VAL T 46 -3.947 -5.793 -0.901 1.00 0.00 C ATOM 722 CG1 VAL T 46 -4.998 -5.529 -1.968 1.00 0.00 C ATOM 723 CG2 VAL T 46 -4.362 -5.167 0.423 1.00 0.00 C ATOM 0 H VAL T 46 -2.938 -7.785 1.144 1.00 0.00 H new ATOM 0 HA VAL T 46 -4.476 -7.846 -1.304 1.00 0.00 H new ATOM 0 HB VAL T 46 -3.010 -5.331 -1.210 1.00 0.00 H new ATOM 0 HG11 VAL T 46 -5.158 -4.455 -2.063 1.00 0.00 H new ATOM 0 HG12 VAL T 46 -4.657 -5.931 -2.922 1.00 0.00 H new ATOM 0 HG13 VAL T 46 -5.933 -6.011 -1.685 1.00 0.00 H new ATOM 0 HG21 VAL T 46 -4.525 -4.098 0.285 1.00 0.00 H new ATOM 0 HG22 VAL T 46 -5.283 -5.633 0.773 1.00 0.00 H new ATOM 0 HG23 VAL T 46 -3.575 -5.321 1.161 1.00 0.00 H new ATOM 733 N CYS T 47 -2.264 -8.736 -2.084 1.00 0.00 N ATOM 734 CA CYS T 47 -1.011 -9.163 -2.695 1.00 0.00 C ATOM 735 C CYS T 47 -0.581 -8.186 -3.784 1.00 0.00 C ATOM 736 O CYS T 47 -0.811 -8.421 -4.970 1.00 0.00 O ATOM 737 CB CYS T 47 -1.156 -10.568 -3.284 1.00 0.00 C ATOM 738 SG CYS T 47 -2.578 -11.505 -2.634 1.00 0.00 S ATOM 0 H CYS T 47 -3.061 -9.337 -2.292 1.00 0.00 H new ATOM 0 HA CYS T 47 -0.245 -9.181 -1.920 1.00 0.00 H new ATOM 0 HB2 CYS T 47 -1.252 -10.488 -4.367 1.00 0.00 H new ATOM 0 HB3 CYS T 47 -0.243 -11.130 -3.085 1.00 0.00 H new ATOM 0 HG CYS T 47 -2.528 -11.524 -1.335 1.00 0.00 H new ATOM 743 N ALA T 48 0.042 -7.088 -3.369 1.00 0.00 N ATOM 744 CA ALA T 48 0.502 -6.067 -4.303 1.00 0.00 C ATOM 745 C ALA T 48 1.173 -4.917 -3.561 1.00 0.00 C ATOM 746 O ALA T 48 0.565 -4.288 -2.694 1.00 0.00 O ATOM 747 CB ALA T 48 -0.662 -5.554 -5.136 1.00 0.00 C ATOM 0 H ALA T 48 0.240 -6.882 -2.390 1.00 0.00 H new ATOM 0 HA ALA T 48 1.238 -6.517 -4.969 1.00 0.00 H new ATOM 0 HB1 ALA T 48 -0.305 -4.792 -5.829 1.00 0.00 H new ATOM 0 HB2 ALA T 48 -1.099 -6.380 -5.697 1.00 0.00 H new ATOM 0 HB3 ALA T 48 -1.417 -5.122 -4.479 1.00 0.00 H new ATOM 753 N ALA T 49 2.428 -4.648 -3.906 1.00 0.00 N ATOM 754 CA ALA T 49 3.182 -3.574 -3.272 1.00 0.00 C ATOM 755 C ALA T 49 2.314 -2.335 -3.076 1.00 0.00 C ATOM 756 O ALA T 49 1.940 -1.669 -4.041 1.00 0.00 O ATOM 757 CB ALA T 49 4.411 -3.235 -4.100 1.00 0.00 C ATOM 0 H ALA T 49 2.944 -5.160 -4.622 1.00 0.00 H new ATOM 0 HA ALA T 49 3.503 -3.918 -2.289 1.00 0.00 H new ATOM 0 HB1 ALA T 49 4.966 -2.431 -3.616 1.00 0.00 H new ATOM 0 HB2 ALA T 49 5.047 -4.116 -4.184 1.00 0.00 H new ATOM 0 HB3 ALA T 49 4.102 -2.914 -5.095 1.00 0.00 H new ATOM 763 N GLY T 50 1.996 -2.034 -1.822 1.00 0.00 N ATOM 764 CA GLY T 50 1.176 -0.876 -1.525 1.00 0.00 C ATOM 765 C GLY T 50 1.951 0.235 -0.849 1.00 0.00 C ATOM 766 O GLY T 50 2.448 0.065 0.264 1.00 0.00 O ATOM 0 H GLY T 50 2.291 -2.571 -1.007 1.00 0.00 H new ATOM 0 HA2 GLY T 50 0.741 -0.498 -2.450 1.00 0.00 H new ATOM 0 HA3 GLY T 50 0.348 -1.178 -0.883 1.00 0.00 H new ATOM 770 N TRP T 51 2.060 1.373 -1.526 1.00 0.00 N ATOM 771 CA TRP T 51 2.786 2.517 -0.989 1.00 0.00 C ATOM 772 C TRP T 51 2.373 2.812 0.447 1.00 0.00 C ATOM 773 O TRP T 51 1.275 2.455 0.876 1.00 0.00 O ATOM 774 CB TRP T 51 2.549 3.748 -1.863 1.00 0.00 C ATOM 775 CG TRP T 51 3.418 3.775 -3.077 1.00 0.00 C ATOM 776 CD1 TRP T 51 3.031 3.578 -4.370 1.00 0.00 C ATOM 777 CD2 TRP T 51 4.830 4.002 -3.109 1.00 0.00 C ATOM 778 NE1 TRP T 51 4.120 3.668 -5.207 1.00 0.00 N ATOM 779 CE2 TRP T 51 5.236 3.930 -4.454 1.00 0.00 C ATOM 780 CE3 TRP T 51 5.788 4.262 -2.126 1.00 0.00 C ATOM 781 CZ2 TRP T 51 6.563 4.109 -4.840 1.00 0.00 C ATOM 782 CZ3 TRP T 51 7.104 4.439 -2.510 1.00 0.00 C ATOM 783 CH2 TRP T 51 7.480 4.361 -3.856 1.00 0.00 C ATOM 0 H TRP T 51 1.654 1.527 -2.449 1.00 0.00 H new ATOM 0 HA TRP T 51 3.848 2.271 -0.992 1.00 0.00 H new ATOM 0 HB2 TRP T 51 1.503 3.773 -2.170 1.00 0.00 H new ATOM 0 HB3 TRP T 51 2.730 4.646 -1.273 1.00 0.00 H new ATOM 0 HD1 TRP T 51 2.019 3.380 -4.690 1.00 0.00 H new ATOM 0 HE1 TRP T 51 4.100 3.558 -6.221 1.00 0.00 H new ATOM 0 HE3 TRP T 51 5.506 4.324 -1.085 1.00 0.00 H new ATOM 0 HZ2 TRP T 51 6.857 4.051 -5.878 1.00 0.00 H new ATOM 0 HZ3 TRP T 51 7.854 4.641 -1.760 1.00 0.00 H new ATOM 0 HH2 TRP T 51 8.517 4.503 -4.124 1.00 0.00 H new ATOM 794 N MET T 52 3.263 3.467 1.187 1.00 0.00 N ATOM 795 CA MET T 52 3.000 3.814 2.579 1.00 0.00 C ATOM 796 C MET T 52 4.164 4.596 3.178 1.00 0.00 C ATOM 797 O MET T 52 5.185 4.810 2.524 1.00 0.00 O ATOM 798 CB MET T 52 2.747 2.554 3.411 1.00 0.00 C ATOM 799 CG MET T 52 3.440 1.311 2.875 1.00 0.00 C ATOM 800 SD MET T 52 3.290 -0.103 3.981 1.00 0.00 S ATOM 801 CE MET T 52 1.931 -0.985 3.220 1.00 0.00 C ATOM 0 H MET T 52 4.175 3.769 0.844 1.00 0.00 H new ATOM 0 HA MET T 52 2.109 4.441 2.600 1.00 0.00 H new ATOM 0 HB2 MET T 52 3.082 2.732 4.433 1.00 0.00 H new ATOM 0 HB3 MET T 52 1.674 2.369 3.455 1.00 0.00 H new ATOM 0 HG2 MET T 52 3.016 1.054 1.904 1.00 0.00 H new ATOM 0 HG3 MET T 52 4.496 1.530 2.714 1.00 0.00 H new ATOM 0 HE1 MET T 52 1.590 -1.775 3.889 1.00 0.00 H new ATOM 0 HE2 MET T 52 1.111 -0.293 3.027 1.00 0.00 H new ATOM 0 HE3 MET T 52 2.264 -1.425 2.280 1.00 0.00 H new ATOM 811 N ALA T 53 4.004 5.010 4.430 1.00 0.00 N ATOM 812 CA ALA T 53 5.038 5.759 5.132 1.00 0.00 C ATOM 813 C ALA T 53 5.525 6.950 4.316 1.00 0.00 C ATOM 814 O ALA T 53 4.893 7.352 3.340 1.00 0.00 O ATOM 815 CB ALA T 53 6.198 4.842 5.476 1.00 0.00 C ATOM 0 H ALA T 53 3.163 4.838 4.981 1.00 0.00 H new ATOM 0 HA ALA T 53 4.603 6.150 6.052 1.00 0.00 H new ATOM 0 HB1 ALA T 53 6.967 5.409 6.001 1.00 0.00 H new ATOM 0 HB2 ALA T 53 5.845 4.033 6.115 1.00 0.00 H new ATOM 0 HB3 ALA T 53 6.616 4.425 4.560 1.00 0.00 H new ATOM 821 N LYS T 54 6.652 7.514 4.735 1.00 0.00 N ATOM 822 CA LYS T 54 7.237 8.667 4.060 1.00 0.00 C ATOM 823 C LYS T 54 7.560 8.356 2.602 1.00 0.00 C ATOM 824 O LYS T 54 7.818 9.262 1.809 1.00 0.00 O ATOM 825 CB LYS T 54 8.506 9.115 4.786 1.00 0.00 C ATOM 826 CG LYS T 54 8.434 10.534 5.329 1.00 0.00 C ATOM 827 CD LYS T 54 9.702 10.917 6.073 1.00 0.00 C ATOM 828 CE LYS T 54 9.400 11.828 7.253 1.00 0.00 C ATOM 829 NZ LYS T 54 10.082 13.146 7.131 1.00 0.00 N ATOM 0 H LYS T 54 7.182 7.189 5.544 1.00 0.00 H new ATOM 0 HA LYS T 54 6.502 9.472 4.081 1.00 0.00 H new ATOM 0 HB2 LYS T 54 8.703 8.430 5.611 1.00 0.00 H new ATOM 0 HB3 LYS T 54 9.351 9.040 4.101 1.00 0.00 H new ATOM 0 HG2 LYS T 54 8.271 11.230 4.506 1.00 0.00 H new ATOM 0 HG3 LYS T 54 7.578 10.624 5.998 1.00 0.00 H new ATOM 0 HD2 LYS T 54 10.204 10.016 6.426 1.00 0.00 H new ATOM 0 HD3 LYS T 54 10.388 11.418 5.391 1.00 0.00 H new ATOM 0 HE2 LYS T 54 8.323 11.983 7.325 1.00 0.00 H new ATOM 0 HE3 LYS T 54 9.715 11.341 8.176 1.00 0.00 H new ATOM 0 HZ1 LYS T 54 9.849 13.735 7.956 1.00 0.00 H new ATOM 0 HZ2 LYS T 54 11.111 13.002 7.088 1.00 0.00 H new ATOM 0 HZ3 LYS T 54 9.763 13.623 6.264 1.00 0.00 H new ATOM 843 N GLY T 55 7.548 7.074 2.251 1.00 0.00 N ATOM 844 CA GLY T 55 7.844 6.681 0.887 1.00 0.00 C ATOM 845 C GLY T 55 8.233 5.220 0.791 1.00 0.00 C ATOM 846 O GLY T 55 8.915 4.816 -0.151 1.00 0.00 O ATOM 0 H GLY T 55 7.339 6.303 2.885 1.00 0.00 H new ATOM 0 HA2 GLY T 55 6.973 6.867 0.259 1.00 0.00 H new ATOM 0 HA3 GLY T 55 8.654 7.298 0.499 1.00 0.00 H new ATOM 850 N ARG T 56 7.798 4.424 1.762 1.00 0.00 N ATOM 851 CA ARG T 56 8.106 3.000 1.770 1.00 0.00 C ATOM 852 C ARG T 56 6.924 2.194 1.242 1.00 0.00 C ATOM 853 O ARG T 56 5.775 2.457 1.594 1.00 0.00 O ATOM 854 CB ARG T 56 8.472 2.541 3.183 1.00 0.00 C ATOM 855 CG ARG T 56 7.282 2.059 3.996 1.00 0.00 C ATOM 856 CD ARG T 56 7.715 1.550 5.360 1.00 0.00 C ATOM 857 NE ARG T 56 8.320 2.603 6.172 1.00 0.00 N ATOM 858 CZ ARG T 56 8.901 2.385 7.347 1.00 0.00 C ATOM 859 NH1 ARG T 56 8.953 1.157 7.846 1.00 0.00 N ATOM 860 NH2 ARG T 56 9.430 3.395 8.025 1.00 0.00 N ATOM 0 H ARG T 56 7.233 4.740 2.550 1.00 0.00 H new ATOM 0 HA ARG T 56 8.961 2.830 1.116 1.00 0.00 H new ATOM 0 HB2 ARG T 56 9.205 1.737 3.116 1.00 0.00 H new ATOM 0 HB3 ARG T 56 8.951 3.366 3.711 1.00 0.00 H new ATOM 0 HG2 ARG T 56 6.569 2.874 4.119 1.00 0.00 H new ATOM 0 HG3 ARG T 56 6.767 1.264 3.456 1.00 0.00 H new ATOM 0 HD2 ARG T 56 6.852 1.139 5.884 1.00 0.00 H new ATOM 0 HD3 ARG T 56 8.428 0.736 5.233 1.00 0.00 H new ATOM 0 HE ARG T 56 8.295 3.559 5.817 1.00 0.00 H new ATOM 0 HH11 ARG T 56 8.547 0.378 7.328 1.00 0.00 H new ATOM 0 HH12 ARG T 56 9.399 0.992 8.748 1.00 0.00 H new ATOM 0 HH21 ARG T 56 9.391 4.341 7.645 1.00 0.00 H new ATOM 0 HH22 ARG T 56 9.876 3.226 8.927 1.00 0.00 H new ATOM 874 N VAL T 57 7.213 1.214 0.393 1.00 0.00 N ATOM 875 CA VAL T 57 6.171 0.376 -0.184 1.00 0.00 C ATOM 876 C VAL T 57 6.482 -1.103 0.015 1.00 0.00 C ATOM 877 O VAL T 57 7.505 -1.602 -0.454 1.00 0.00 O ATOM 878 CB VAL T 57 5.993 0.664 -1.689 1.00 0.00 C ATOM 879 CG1 VAL T 57 7.298 1.151 -2.297 1.00 0.00 C ATOM 880 CG2 VAL T 57 5.481 -0.569 -2.421 1.00 0.00 C ATOM 0 H VAL T 57 8.159 0.981 0.090 1.00 0.00 H new ATOM 0 HA VAL T 57 5.243 0.616 0.334 1.00 0.00 H new ATOM 0 HB VAL T 57 5.249 1.453 -1.800 1.00 0.00 H new ATOM 0 HG11 VAL T 57 7.153 1.349 -3.359 1.00 0.00 H new ATOM 0 HG12 VAL T 57 7.613 2.067 -1.797 1.00 0.00 H new ATOM 0 HG13 VAL T 57 8.065 0.387 -2.172 1.00 0.00 H new ATOM 0 HG21 VAL T 57 5.364 -0.341 -3.480 1.00 0.00 H new ATOM 0 HG22 VAL T 57 6.194 -1.385 -2.302 1.00 0.00 H new ATOM 0 HG23 VAL T 57 4.518 -0.865 -2.005 1.00 0.00 H new ATOM 890 N GLY T 58 5.591 -1.799 0.715 1.00 0.00 N ATOM 891 CA GLY T 58 5.784 -3.215 0.966 1.00 0.00 C ATOM 892 C GLY T 58 4.676 -4.059 0.372 1.00 0.00 C ATOM 893 O GLY T 58 3.812 -3.547 -0.340 1.00 0.00 O ATOM 0 H GLY T 58 4.738 -1.406 1.113 1.00 0.00 H new ATOM 0 HA2 GLY T 58 6.741 -3.529 0.548 1.00 0.00 H new ATOM 0 HA3 GLY T 58 5.833 -3.388 2.041 1.00 0.00 H new ATOM 897 N TYR T 59 4.697 -5.356 0.661 1.00 0.00 N ATOM 898 CA TYR T 59 3.683 -6.268 0.146 1.00 0.00 C ATOM 899 C TYR T 59 2.933 -6.952 1.285 1.00 0.00 C ATOM 900 O TYR T 59 3.247 -8.083 1.658 1.00 0.00 O ATOM 901 CB TYR T 59 4.320 -7.320 -0.765 1.00 0.00 C ATOM 902 CG TYR T 59 5.630 -6.873 -1.374 1.00 0.00 C ATOM 903 CD1 TYR T 59 5.711 -5.701 -2.118 1.00 0.00 C ATOM 904 CD2 TYR T 59 6.787 -7.624 -1.208 1.00 0.00 C ATOM 905 CE1 TYR T 59 6.906 -5.293 -2.677 1.00 0.00 C ATOM 906 CE2 TYR T 59 7.986 -7.221 -1.763 1.00 0.00 C ATOM 907 CZ TYR T 59 8.040 -6.055 -2.497 1.00 0.00 C ATOM 908 OH TYR T 59 9.233 -5.650 -3.052 1.00 0.00 O ATOM 0 H TYR T 59 5.404 -5.798 1.248 1.00 0.00 H new ATOM 0 HA TYR T 59 2.970 -5.682 -0.434 1.00 0.00 H new ATOM 0 HB2 TYR T 59 4.487 -8.233 -0.193 1.00 0.00 H new ATOM 0 HB3 TYR T 59 3.622 -7.568 -1.565 1.00 0.00 H new ATOM 0 HD1 TYR T 59 4.825 -5.100 -2.261 1.00 0.00 H new ATOM 0 HD2 TYR T 59 6.748 -8.539 -0.635 1.00 0.00 H new ATOM 0 HE1 TYR T 59 6.952 -4.380 -3.253 1.00 0.00 H new ATOM 0 HE2 TYR T 59 8.876 -7.816 -1.623 1.00 0.00 H new ATOM 0 HH TYR T 59 9.934 -6.298 -2.830 1.00 0.00 H new ATOM 918 N PRO T 60 1.928 -6.269 1.854 1.00 0.00 N ATOM 919 CA PRO T 60 1.126 -6.811 2.957 1.00 0.00 C ATOM 920 C PRO T 60 0.410 -8.099 2.568 1.00 0.00 C ATOM 921 O PRO T 60 -0.383 -8.120 1.626 1.00 0.00 O ATOM 922 CB PRO T 60 0.107 -5.704 3.249 1.00 0.00 C ATOM 923 CG PRO T 60 0.668 -4.470 2.634 1.00 0.00 C ATOM 924 CD PRO T 60 1.496 -4.916 1.466 1.00 0.00 C ATOM 0 HA PRO T 60 1.745 -7.070 3.816 1.00 0.00 H new ATOM 0 HB2 PRO T 60 -0.867 -5.946 2.824 1.00 0.00 H new ATOM 0 HB3 PRO T 60 -0.037 -5.577 4.322 1.00 0.00 H new ATOM 0 HG2 PRO T 60 -0.129 -3.800 2.311 1.00 0.00 H new ATOM 0 HG3 PRO T 60 1.275 -3.920 3.353 1.00 0.00 H new ATOM 0 HD2 PRO T 60 0.916 -4.928 0.543 1.00 0.00 H new ATOM 0 HD3 PRO T 60 2.346 -4.254 1.300 1.00 0.00 H new ATOM 932 N ILE T 61 0.695 -9.172 3.296 1.00 0.00 N ATOM 933 CA ILE T 61 0.079 -10.465 3.024 1.00 0.00 C ATOM 934 C ILE T 61 -0.309 -11.173 4.319 1.00 0.00 C ATOM 935 O ILE T 61 0.537 -11.770 4.987 1.00 0.00 O ATOM 936 CB ILE T 61 1.024 -11.380 2.220 1.00 0.00 C ATOM 937 CG1 ILE T 61 1.543 -10.653 0.978 1.00 0.00 C ATOM 938 CG2 ILE T 61 0.314 -12.668 1.831 1.00 0.00 C ATOM 939 CD1 ILE T 61 0.521 -10.545 -0.132 1.00 0.00 C ATOM 0 H ILE T 61 1.349 -9.172 4.079 1.00 0.00 H new ATOM 0 HA ILE T 61 -0.817 -10.269 2.435 1.00 0.00 H new ATOM 0 HB ILE T 61 1.877 -11.636 2.849 1.00 0.00 H new ATOM 0 HG12 ILE T 61 1.866 -9.651 1.262 1.00 0.00 H new ATOM 0 HG13 ILE T 61 2.422 -11.176 0.602 1.00 0.00 H new ATOM 0 HG21 ILE T 61 0.996 -13.302 1.264 1.00 0.00 H new ATOM 0 HG22 ILE T 61 -0.006 -13.193 2.731 1.00 0.00 H new ATOM 0 HG23 ILE T 61 -0.557 -12.433 1.219 1.00 0.00 H new ATOM 0 HD11 ILE T 61 0.959 -10.018 -0.980 1.00 0.00 H new ATOM 0 HD12 ILE T 61 0.216 -11.544 -0.444 1.00 0.00 H new ATOM 0 HD13 ILE T 61 -0.349 -9.995 0.227 1.00 0.00 H new ATOM 951 N VAL T 62 -1.589 -11.106 4.668 1.00 0.00 N ATOM 952 CA VAL T 62 -2.084 -11.744 5.882 1.00 0.00 C ATOM 953 C VAL T 62 -2.101 -13.261 5.731 1.00 0.00 C ATOM 954 O VAL T 62 -1.731 -13.993 6.647 1.00 0.00 O ATOM 955 CB VAL T 62 -3.500 -11.251 6.240 1.00 0.00 C ATOM 956 CG1 VAL T 62 -4.562 -12.148 5.621 1.00 0.00 C ATOM 957 CG2 VAL T 62 -3.674 -11.170 7.749 1.00 0.00 C ATOM 0 H VAL T 62 -2.302 -10.617 4.128 1.00 0.00 H new ATOM 0 HA VAL T 62 -1.404 -11.470 6.688 1.00 0.00 H new ATOM 0 HB VAL T 62 -3.624 -10.250 5.827 1.00 0.00 H new ATOM 0 HG11 VAL T 62 -5.552 -11.778 5.889 1.00 0.00 H new ATOM 0 HG12 VAL T 62 -4.454 -12.144 4.536 1.00 0.00 H new ATOM 0 HG13 VAL T 62 -4.442 -13.165 5.994 1.00 0.00 H new ATOM 0 HG21 VAL T 62 -4.680 -10.820 7.981 1.00 0.00 H new ATOM 0 HG22 VAL T 62 -3.523 -12.157 8.186 1.00 0.00 H new ATOM 0 HG23 VAL T 62 -2.944 -10.475 8.163 1.00 0.00 H new ATOM 1104 N THR T 73 5.008 -13.852 5.196 1.00 0.00 N ATOM 1105 CA THR T 73 4.049 -13.461 6.221 1.00 0.00 C ATOM 1106 C THR T 73 4.264 -12.017 6.659 1.00 0.00 C ATOM 1107 O THR T 73 5.377 -11.623 7.005 1.00 0.00 O ATOM 1108 CB THR T 73 4.144 -14.377 7.454 1.00 0.00 C ATOM 1109 OG1 THR T 73 5.424 -15.021 7.488 1.00 0.00 O ATOM 1110 CG2 THR T 73 3.043 -15.427 7.436 1.00 0.00 C ATOM 0 HA THR T 73 3.058 -13.558 5.778 1.00 0.00 H new ATOM 0 HB THR T 73 4.022 -13.762 8.346 1.00 0.00 H new ATOM 0 HG1 THR T 73 5.894 -14.860 6.643 1.00 0.00 H new ATOM 0 HG21 THR T 73 3.131 -16.062 8.317 1.00 0.00 H new ATOM 0 HG22 THR T 73 2.071 -14.935 7.440 1.00 0.00 H new ATOM 0 HG23 THR T 73 3.137 -16.038 6.538 1.00 0.00 H new ATOM 1118 N GLY T 74 3.190 -11.234 6.643 1.00 0.00 N ATOM 1119 CA GLY T 74 3.282 -9.842 7.042 1.00 0.00 C ATOM 1120 C GLY T 74 3.676 -8.943 5.888 1.00 0.00 C ATOM 1121 O GLY T 74 4.080 -9.423 4.828 1.00 0.00 O ATOM 0 H GLY T 74 2.258 -11.539 6.361 1.00 0.00 H new ATOM 0 HA2 GLY T 74 2.322 -9.516 7.443 1.00 0.00 H new ATOM 0 HA3 GLY T 74 4.013 -9.743 7.844 1.00 0.00 H new ATOM 1125 N ILE T 75 3.555 -7.636 6.091 1.00 0.00 N ATOM 1126 CA ILE T 75 3.897 -6.665 5.061 1.00 0.00 C ATOM 1127 C ILE T 75 5.380 -6.725 4.714 1.00 0.00 C ATOM 1128 O ILE T 75 6.212 -6.128 5.399 1.00 0.00 O ATOM 1129 CB ILE T 75 3.551 -5.236 5.509 1.00 0.00 C ATOM 1130 CG1 ILE T 75 2.172 -5.204 6.168 1.00 0.00 C ATOM 1131 CG2 ILE T 75 3.607 -4.281 4.326 1.00 0.00 C ATOM 1132 CD1 ILE T 75 2.201 -5.449 7.660 1.00 0.00 C ATOM 0 H ILE T 75 3.221 -7.224 6.963 1.00 0.00 H new ATOM 0 HA ILE T 75 3.310 -6.921 4.179 1.00 0.00 H new ATOM 0 HB ILE T 75 4.288 -4.912 6.244 1.00 0.00 H new ATOM 0 HG12 ILE T 75 1.711 -4.235 5.978 1.00 0.00 H new ATOM 0 HG13 ILE T 75 1.538 -5.956 5.698 1.00 0.00 H new ATOM 0 HG21 ILE T 75 3.360 -3.273 4.660 1.00 0.00 H new ATOM 0 HG22 ILE T 75 4.611 -4.286 3.901 1.00 0.00 H new ATOM 0 HG23 ILE T 75 2.891 -4.598 3.568 1.00 0.00 H new ATOM 0 HD11 ILE T 75 1.186 -5.411 8.055 1.00 0.00 H new ATOM 0 HD12 ILE T 75 2.631 -6.431 7.859 1.00 0.00 H new ATOM 0 HD13 ILE T 75 2.807 -4.682 8.143 1.00 0.00 H new ATOM 1144 N ILE T 76 5.705 -7.442 3.646 1.00 0.00 N ATOM 1145 CA ILE T 76 7.088 -7.571 3.206 1.00 0.00 C ATOM 1146 C ILE T 76 7.598 -6.259 2.622 1.00 0.00 C ATOM 1147 O ILE T 76 7.636 -6.080 1.405 1.00 0.00 O ATOM 1148 CB ILE T 76 7.243 -8.685 2.153 1.00 0.00 C ATOM 1149 CG1 ILE T 76 6.481 -9.938 2.588 1.00 0.00 C ATOM 1150 CG2 ILE T 76 8.715 -9.002 1.934 1.00 0.00 C ATOM 1151 CD1 ILE T 76 6.823 -10.402 3.987 1.00 0.00 C ATOM 0 H ILE T 76 5.030 -7.943 3.069 1.00 0.00 H new ATOM 0 HA ILE T 76 7.678 -7.831 4.085 1.00 0.00 H new ATOM 0 HB ILE T 76 6.821 -8.337 1.210 1.00 0.00 H new ATOM 0 HG12 ILE T 76 5.411 -9.740 2.532 1.00 0.00 H new ATOM 0 HG13 ILE T 76 6.693 -10.744 1.885 1.00 0.00 H new ATOM 0 HG21 ILE T 76 8.810 -9.791 1.188 1.00 0.00 H new ATOM 0 HG22 ILE T 76 9.232 -8.108 1.585 1.00 0.00 H new ATOM 0 HG23 ILE T 76 9.159 -9.335 2.872 1.00 0.00 H new ATOM 0 HD11 ILE T 76 6.245 -11.294 4.226 1.00 0.00 H new ATOM 0 HD12 ILE T 76 7.887 -10.633 4.044 1.00 0.00 H new ATOM 0 HD13 ILE T 76 6.584 -9.613 4.700 1.00 0.00 H new ATOM 1163 N ASP T 77 7.987 -5.341 3.501 1.00 0.00 N ATOM 1164 CA ASP T 77 8.493 -4.040 3.078 1.00 0.00 C ATOM 1165 C ASP T 77 10.008 -3.966 3.241 1.00 0.00 C ATOM 1166 O ASP T 77 10.536 -4.173 4.333 1.00 0.00 O ATOM 1167 CB ASP T 77 7.826 -2.923 3.883 1.00 0.00 C ATOM 1168 CG ASP T 77 8.608 -1.625 3.837 1.00 0.00 C ATOM 1169 OD1 ASP T 77 8.533 -0.923 2.807 1.00 0.00 O ATOM 1170 OD2 ASP T 77 9.295 -1.310 4.831 1.00 0.00 O ATOM 0 H ASP T 77 7.961 -5.474 4.512 1.00 0.00 H new ATOM 0 HA ASP T 77 8.253 -3.910 2.023 1.00 0.00 H new ATOM 0 HB2 ASP T 77 6.821 -2.752 3.496 1.00 0.00 H new ATOM 0 HB3 ASP T 77 7.719 -3.242 4.920 1.00 0.00 H new ATOM 1175 N TYR T 78 10.700 -3.674 2.145 1.00 0.00 N ATOM 1176 CA TYR T 78 12.151 -3.575 2.158 1.00 0.00 C ATOM 1177 C TYR T 78 12.599 -2.173 2.560 1.00 0.00 C ATOM 1178 O TYR T 78 13.793 -1.905 2.684 1.00 0.00 O ATOM 1179 CB TYR T 78 12.705 -3.926 0.779 1.00 0.00 C ATOM 1180 CG TYR T 78 12.441 -5.357 0.366 1.00 0.00 C ATOM 1181 CD1 TYR T 78 11.143 -5.851 0.292 1.00 0.00 C ATOM 1182 CD2 TYR T 78 13.487 -6.215 0.049 1.00 0.00 C ATOM 1183 CE1 TYR T 78 10.896 -7.156 -0.084 1.00 0.00 C ATOM 1184 CE2 TYR T 78 13.248 -7.523 -0.329 1.00 0.00 C ATOM 1185 CZ TYR T 78 11.951 -7.989 -0.393 1.00 0.00 C ATOM 1186 OH TYR T 78 11.710 -9.290 -0.768 1.00 0.00 O ATOM 0 H TYR T 78 10.275 -3.501 1.234 1.00 0.00 H new ATOM 0 HA TYR T 78 12.538 -4.280 2.894 1.00 0.00 H new ATOM 0 HB2 TYR T 78 12.266 -3.256 0.039 1.00 0.00 H new ATOM 0 HB3 TYR T 78 13.780 -3.747 0.772 1.00 0.00 H new ATOM 0 HD1 TYR T 78 10.314 -5.202 0.533 1.00 0.00 H new ATOM 0 HD2 TYR T 78 14.504 -5.854 0.099 1.00 0.00 H new ATOM 0 HE1 TYR T 78 9.882 -7.523 -0.136 1.00 0.00 H new ATOM 0 HE2 TYR T 78 14.072 -8.177 -0.573 1.00 0.00 H new ATOM 0 HH TYR T 78 12.561 -9.740 -0.952 1.00 0.00 H new ATOM 1196 N GLY T 79 11.631 -1.284 2.760 1.00 0.00 N ATOM 1197 CA GLY T 79 11.945 0.080 3.144 1.00 0.00 C ATOM 1198 C GLY T 79 12.060 0.978 1.928 1.00 0.00 C ATOM 1199 O GLY T 79 12.082 0.498 0.795 1.00 0.00 O ATOM 0 H GLY T 79 10.635 -1.484 2.663 1.00 0.00 H new ATOM 0 HA2 GLY T 79 11.170 0.461 3.809 1.00 0.00 H new ATOM 0 HA3 GLY T 79 12.881 0.097 3.702 1.00 0.00 H new ATOM 1203 N ILE T 80 12.134 2.283 2.163 1.00 0.00 N ATOM 1204 CA ILE T 80 12.248 3.248 1.076 1.00 0.00 C ATOM 1205 C ILE T 80 13.515 3.010 0.262 1.00 0.00 C ATOM 1206 O ILE T 80 14.613 2.929 0.814 1.00 0.00 O ATOM 1207 CB ILE T 80 12.256 4.695 1.607 1.00 0.00 C ATOM 1208 CG1 ILE T 80 11.111 4.904 2.601 1.00 0.00 C ATOM 1209 CG2 ILE T 80 12.151 5.682 0.454 1.00 0.00 C ATOM 1210 CD1 ILE T 80 11.310 6.090 3.518 1.00 0.00 C ATOM 0 H ILE T 80 12.117 2.697 3.095 1.00 0.00 H new ATOM 0 HA ILE T 80 11.376 3.109 0.436 1.00 0.00 H new ATOM 0 HB ILE T 80 13.198 4.871 2.126 1.00 0.00 H new ATOM 0 HG12 ILE T 80 10.181 5.036 2.048 1.00 0.00 H new ATOM 0 HG13 ILE T 80 10.998 4.004 3.205 1.00 0.00 H new ATOM 0 HG21 ILE T 80 12.158 6.700 0.844 1.00 0.00 H new ATOM 0 HG22 ILE T 80 12.997 5.546 -0.220 1.00 0.00 H new ATOM 0 HG23 ILE T 80 11.223 5.508 -0.090 1.00 0.00 H new ATOM 0 HD11 ILE T 80 10.459 6.174 4.194 1.00 0.00 H new ATOM 0 HD12 ILE T 80 12.222 5.952 4.099 1.00 0.00 H new ATOM 0 HD13 ILE T 80 11.393 7.000 2.923 1.00 0.00 H new ATOM 1222 N ARG T 81 13.356 2.898 -1.052 1.00 0.00 N ATOM 1223 CA ARG T 81 14.488 2.666 -1.943 1.00 0.00 C ATOM 1224 C ARG T 81 14.934 3.964 -2.607 1.00 0.00 C ATOM 1225 O ARG T 81 15.652 3.946 -3.608 1.00 0.00 O ATOM 1226 CB ARG T 81 14.121 1.633 -3.009 1.00 0.00 C ATOM 1227 CG ARG T 81 13.542 0.349 -2.436 1.00 0.00 C ATOM 1228 CD ARG T 81 14.532 -0.800 -2.533 1.00 0.00 C ATOM 1229 NE ARG T 81 13.866 -2.075 -2.783 1.00 0.00 N ATOM 1230 CZ ARG T 81 14.513 -3.226 -2.934 1.00 0.00 C ATOM 1231 NH1 ARG T 81 15.837 -3.261 -2.859 1.00 0.00 N ATOM 1232 NH2 ARG T 81 13.837 -4.345 -3.159 1.00 0.00 N ATOM 0 H ARG T 81 12.454 2.964 -1.524 1.00 0.00 H new ATOM 0 HA ARG T 81 15.315 2.283 -1.346 1.00 0.00 H new ATOM 0 HB2 ARG T 81 13.398 2.073 -3.696 1.00 0.00 H new ATOM 0 HB3 ARG T 81 15.010 1.393 -3.592 1.00 0.00 H new ATOM 0 HG2 ARG T 81 13.267 0.506 -1.393 1.00 0.00 H new ATOM 0 HG3 ARG T 81 12.629 0.090 -2.971 1.00 0.00 H new ATOM 0 HD2 ARG T 81 15.243 -0.599 -3.334 1.00 0.00 H new ATOM 0 HD3 ARG T 81 15.104 -0.865 -1.607 1.00 0.00 H new ATOM 0 HE ARG T 81 12.848 -2.083 -2.845 1.00 0.00 H new ATOM 0 HH11 ARG T 81 16.361 -2.403 -2.685 1.00 0.00 H new ATOM 0 HH12 ARG T 81 16.331 -4.146 -2.975 1.00 0.00 H new ATOM 0 HH21 ARG T 81 12.819 -4.323 -3.216 1.00 0.00 H new ATOM 0 HH22 ARG T 81 14.335 -5.227 -3.275 1.00 0.00 H new ATOM 1246 N LEU T 82 14.507 5.091 -2.045 1.00 0.00 N ATOM 1247 CA LEU T 82 14.864 6.399 -2.583 1.00 0.00 C ATOM 1248 C LEU T 82 14.503 6.496 -4.062 1.00 0.00 C ATOM 1249 O LEU T 82 15.300 6.963 -4.877 1.00 0.00 O ATOM 1250 CB LEU T 82 16.359 6.660 -2.393 1.00 0.00 C ATOM 1251 CG LEU T 82 16.732 8.073 -1.937 1.00 0.00 C ATOM 1252 CD1 LEU T 82 16.132 9.113 -2.873 1.00 0.00 C ATOM 1253 CD2 LEU T 82 16.269 8.313 -0.508 1.00 0.00 C ATOM 0 H LEU T 82 13.913 5.124 -1.217 1.00 0.00 H new ATOM 0 HA LEU T 82 14.298 7.155 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU T 82 16.744 5.949 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU T 82 16.868 6.456 -3.335 1.00 0.00 H new ATOM 0 HG LEU T 82 17.817 8.168 -1.968 1.00 0.00 H new ATOM 0 HD11 LEU T 82 16.408 10.111 -2.533 1.00 0.00 H new ATOM 0 HD12 LEU T 82 16.512 8.956 -3.883 1.00 0.00 H new ATOM 0 HD13 LEU T 82 15.046 9.018 -2.875 1.00 0.00 H new ATOM 0 HD21 LEU T 82 16.543 9.322 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU T 82 15.187 8.198 -0.452 1.00 0.00 H new ATOM 0 HD23 LEU T 82 16.745 7.591 0.155 1.00 0.00 H new ATOM 1265 N ASN T 83 13.298 6.052 -4.403 1.00 0.00 N ATOM 1266 CA ASN T 83 12.834 6.088 -5.785 1.00 0.00 C ATOM 1267 C ASN T 83 11.322 5.904 -5.860 1.00 0.00 C ATOM 1268 O ASN T 83 10.833 4.822 -6.185 1.00 0.00 O ATOM 1269 CB ASN T 83 13.533 5.004 -6.608 1.00 0.00 C ATOM 1270 CG ASN T 83 13.262 5.144 -8.093 1.00 0.00 C ATOM 1271 OD1 ASN T 83 12.379 4.299 -8.615 1.00 0.00 O flip ATOM 1272 ND2 ASN T 83 13.838 5.999 -8.764 1.00 0.00 N flip ATOM 0 H ASN T 83 12.625 5.663 -3.742 1.00 0.00 H new ATOM 0 HA ASN T 83 13.082 7.066 -6.198 1.00 0.00 H new ATOM 0 HB2 ASN T 83 14.607 5.053 -6.431 1.00 0.00 H new ATOM 0 HB3 ASN T 83 13.199 4.023 -6.271 1.00 0.00 H new ATOM 0 HD21 ASN T 83 14.509 6.627 -8.322 1.00 0.00 H new ATOM 0 HD22 ASN T 83 13.645 6.080 -9.762 1.00 0.00 H new ATOM 1279 N ARG T 84 10.586 6.969 -5.559 1.00 0.00 N ATOM 1280 CA ARG T 84 9.129 6.925 -5.594 1.00 0.00 C ATOM 1281 C ARG T 84 8.625 6.815 -7.029 1.00 0.00 C ATOM 1282 O ARG T 84 7.426 6.676 -7.268 1.00 0.00 O ATOM 1283 CB ARG T 84 8.544 8.174 -4.932 1.00 0.00 C ATOM 1284 CG ARG T 84 9.459 8.800 -3.895 1.00 0.00 C ATOM 1285 CD ARG T 84 9.903 10.194 -4.307 1.00 0.00 C ATOM 1286 NE ARG T 84 10.918 10.736 -3.410 1.00 0.00 N ATOM 1287 CZ ARG T 84 10.653 11.596 -2.430 1.00 0.00 C ATOM 1288 NH1 ARG T 84 9.410 12.007 -2.225 1.00 0.00 N ATOM 1289 NH2 ARG T 84 11.630 12.044 -1.655 1.00 0.00 N ATOM 0 H ARG T 84 10.975 7.872 -5.288 1.00 0.00 H new ATOM 0 HA ARG T 84 8.803 6.043 -5.043 1.00 0.00 H new ATOM 0 HB2 ARG T 84 8.323 8.913 -5.702 1.00 0.00 H new ATOM 0 HB3 ARG T 84 7.597 7.914 -4.459 1.00 0.00 H new ATOM 0 HG2 ARG T 84 8.942 8.851 -2.937 1.00 0.00 H new ATOM 0 HG3 ARG T 84 10.334 8.166 -3.752 1.00 0.00 H new ATOM 0 HD2 ARG T 84 10.297 10.163 -5.323 1.00 0.00 H new ATOM 0 HD3 ARG T 84 9.040 10.859 -4.321 1.00 0.00 H new ATOM 0 HE ARG T 84 11.885 10.439 -3.542 1.00 0.00 H new ATOM 0 HH11 ARG T 84 8.655 11.664 -2.819 1.00 0.00 H new ATOM 0 HH12 ARG T 84 9.208 12.666 -1.473 1.00 0.00 H new ATOM 0 HH21 ARG T 84 12.588 11.730 -1.809 1.00 0.00 H new ATOM 0 HH22 ARG T 84 11.424 12.703 -0.904 1.00 0.00 H new ATOM 1303 N SER T 85 9.550 6.881 -7.981 1.00 0.00 N ATOM 1304 CA SER T 85 9.201 6.792 -9.394 1.00 0.00 C ATOM 1305 C SER T 85 8.887 5.354 -9.791 1.00 0.00 C ATOM 1306 O SER T 85 8.876 5.014 -10.974 1.00 0.00 O ATOM 1307 CB SER T 85 10.343 7.332 -10.257 1.00 0.00 C ATOM 1308 OG SER T 85 9.892 8.370 -11.110 1.00 0.00 O ATOM 0 H SER T 85 10.547 6.996 -7.799 1.00 0.00 H new ATOM 0 HA SER T 85 8.310 7.397 -9.559 1.00 0.00 H new ATOM 0 HB2 SER T 85 11.142 7.705 -9.616 1.00 0.00 H new ATOM 0 HB3 SER T 85 10.765 6.524 -10.854 1.00 0.00 H new ATOM 0 HG SER T 85 10.641 8.699 -11.649 1.00 0.00 H new ATOM 1314 N GLU T 86 8.627 4.512 -8.795 1.00 0.00 N ATOM 1315 CA GLU T 86 8.309 3.113 -9.042 1.00 0.00 C ATOM 1316 C GLU T 86 6.848 2.959 -9.451 1.00 0.00 C ATOM 1317 O GLU T 86 6.152 3.948 -9.678 1.00 0.00 O ATOM 1318 CB GLU T 86 8.595 2.281 -7.792 1.00 0.00 C ATOM 1319 CG GLU T 86 10.057 1.897 -7.641 1.00 0.00 C ATOM 1320 CD GLU T 86 10.324 0.454 -8.020 1.00 0.00 C ATOM 1321 OE1 GLU T 86 9.922 0.046 -9.129 1.00 0.00 O ATOM 1322 OE2 GLU T 86 10.938 -0.269 -7.206 1.00 0.00 O ATOM 0 H GLU T 86 8.631 4.776 -7.810 1.00 0.00 H new ATOM 0 HA GLU T 86 8.936 2.755 -9.858 1.00 0.00 H new ATOM 0 HB2 GLU T 86 8.282 2.843 -6.912 1.00 0.00 H new ATOM 0 HB3 GLU T 86 7.991 1.374 -7.823 1.00 0.00 H new ATOM 0 HG2 GLU T 86 10.667 2.551 -8.264 1.00 0.00 H new ATOM 0 HG3 GLU T 86 10.367 2.061 -6.609 1.00 0.00 H new ATOM 1329 N ARG T 87 6.386 1.716 -9.542 1.00 0.00 N ATOM 1330 CA ARG T 87 5.005 1.449 -9.923 1.00 0.00 C ATOM 1331 C ARG T 87 4.398 0.349 -9.064 1.00 0.00 C ATOM 1332 O ARG T 87 4.780 -0.817 -9.161 1.00 0.00 O ATOM 1333 CB ARG T 87 4.917 1.059 -11.394 1.00 0.00 C ATOM 1334 CG ARG T 87 5.958 0.041 -11.825 1.00 0.00 C ATOM 1335 CD ARG T 87 5.319 -1.269 -12.256 1.00 0.00 C ATOM 1336 NE ARG T 87 6.208 -2.056 -13.106 1.00 0.00 N ATOM 1337 CZ ARG T 87 5.994 -3.330 -13.416 1.00 0.00 C ATOM 1338 NH1 ARG T 87 4.923 -3.958 -12.949 1.00 0.00 N ATOM 1339 NH2 ARG T 87 6.850 -3.978 -14.195 1.00 0.00 N ATOM 0 H ARG T 87 6.945 0.883 -9.358 1.00 0.00 H new ATOM 0 HA ARG T 87 4.439 2.366 -9.763 1.00 0.00 H new ATOM 0 HB2 ARG T 87 3.924 0.656 -11.594 1.00 0.00 H new ATOM 0 HB3 ARG T 87 5.026 1.956 -12.004 1.00 0.00 H new ATOM 0 HG2 ARG T 87 6.545 0.448 -12.648 1.00 0.00 H new ATOM 0 HG3 ARG T 87 6.648 -0.144 -11.002 1.00 0.00 H new ATOM 0 HD2 ARG T 87 5.052 -1.850 -11.373 1.00 0.00 H new ATOM 0 HD3 ARG T 87 4.393 -1.062 -12.793 1.00 0.00 H new ATOM 0 HE ARG T 87 7.040 -1.602 -13.483 1.00 0.00 H new ATOM 0 HH11 ARG T 87 4.262 -3.463 -12.351 1.00 0.00 H new ATOM 0 HH12 ARG T 87 4.761 -4.936 -13.188 1.00 0.00 H new ATOM 0 HH21 ARG T 87 7.674 -3.498 -14.557 1.00 0.00 H new ATOM 0 HH22 ARG T 87 6.684 -4.956 -14.432 1.00 0.00 H new ATOM 1353 N TRP T 88 3.440 0.735 -8.234 1.00 0.00 N ATOM 1354 CA TRP T 88 2.749 -0.199 -7.350 1.00 0.00 C ATOM 1355 C TRP T 88 1.354 0.321 -7.023 1.00 0.00 C ATOM 1356 O TRP T 88 0.905 1.316 -7.590 1.00 0.00 O ATOM 1357 CB TRP T 88 3.531 -0.402 -6.047 1.00 0.00 C ATOM 1358 CG TRP T 88 5.017 -0.422 -6.221 1.00 0.00 C ATOM 1359 CD1 TRP T 88 5.888 0.584 -5.920 1.00 0.00 C ATOM 1360 CD2 TRP T 88 5.809 -1.503 -6.729 1.00 0.00 C ATOM 1361 NE1 TRP T 88 7.175 0.198 -6.212 1.00 0.00 N ATOM 1362 CE2 TRP T 88 7.152 -1.079 -6.710 1.00 0.00 C ATOM 1363 CE3 TRP T 88 5.514 -2.786 -7.199 1.00 0.00 C ATOM 1364 CZ2 TRP T 88 8.196 -1.894 -7.143 1.00 0.00 C ATOM 1365 CZ3 TRP T 88 6.552 -3.593 -7.627 1.00 0.00 C ATOM 1366 CH2 TRP T 88 7.877 -3.144 -7.597 1.00 0.00 C ATOM 0 H TRP T 88 3.119 1.700 -8.153 1.00 0.00 H new ATOM 0 HA TRP T 88 2.672 -1.155 -7.867 1.00 0.00 H new ATOM 0 HB2 TRP T 88 3.269 0.395 -5.351 1.00 0.00 H new ATOM 0 HB3 TRP T 88 3.217 -1.341 -5.590 1.00 0.00 H new ATOM 0 HD1 TRP T 88 5.607 1.544 -5.512 1.00 0.00 H new ATOM 0 HE1 TRP T 88 8.010 0.768 -6.080 1.00 0.00 H new ATOM 0 HE3 TRP T 88 4.494 -3.140 -7.227 1.00 0.00 H new ATOM 0 HZ2 TRP T 88 9.220 -1.551 -7.121 1.00 0.00 H new ATOM 0 HZ3 TRP T 88 6.336 -4.587 -7.991 1.00 0.00 H new ATOM 0 HH2 TRP T 88 8.665 -3.799 -7.940 1.00 0.00 H new ATOM 1377 N ASP T 89 0.679 -0.351 -6.100 1.00 0.00 N ATOM 1378 CA ASP T 89 -0.655 0.051 -5.691 1.00 0.00 C ATOM 1379 C ASP T 89 -0.582 1.164 -4.653 1.00 0.00 C ATOM 1380 O ASP T 89 0.486 1.720 -4.399 1.00 0.00 O ATOM 1381 CB ASP T 89 -1.412 -1.147 -5.122 1.00 0.00 C ATOM 1382 CG ASP T 89 -0.965 -2.453 -5.748 1.00 0.00 C ATOM 1383 OD1 ASP T 89 0.194 -2.855 -5.518 1.00 0.00 O ATOM 1384 OD2 ASP T 89 -1.775 -3.074 -6.469 1.00 0.00 O ATOM 0 H ASP T 89 1.036 -1.178 -5.621 1.00 0.00 H new ATOM 0 HA ASP T 89 -1.188 0.425 -6.565 1.00 0.00 H new ATOM 0 HB2 ASP T 89 -1.261 -1.192 -4.043 1.00 0.00 H new ATOM 0 HB3 ASP T 89 -2.481 -1.013 -5.289 1.00 0.00 H new ATOM 1389 N ALA T 90 -1.723 1.487 -4.057 1.00 0.00 N ATOM 1390 CA ALA T 90 -1.782 2.537 -3.050 1.00 0.00 C ATOM 1391 C ALA T 90 -2.788 2.195 -1.956 1.00 0.00 C ATOM 1392 O ALA T 90 -3.885 1.715 -2.240 1.00 0.00 O ATOM 1393 CB ALA T 90 -2.147 3.862 -3.699 1.00 0.00 C ATOM 0 H ALA T 90 -2.617 1.038 -4.253 1.00 0.00 H new ATOM 0 HA ALA T 90 -0.797 2.621 -2.590 1.00 0.00 H new ATOM 0 HB1 ALA T 90 -2.189 4.641 -2.938 1.00 0.00 H new ATOM 0 HB2 ALA T 90 -1.394 4.122 -4.443 1.00 0.00 H new ATOM 0 HB3 ALA T 90 -3.120 3.775 -4.182 1.00 0.00 H new ATOM 1399 N TYR T 91 -2.416 2.454 -0.706 1.00 0.00 N ATOM 1400 CA TYR T 91 -3.296 2.183 0.419 1.00 0.00 C ATOM 1401 C TYR T 91 -3.910 3.483 0.923 1.00 0.00 C ATOM 1402 O TYR T 91 -3.192 4.406 1.304 1.00 0.00 O ATOM 1403 CB TYR T 91 -2.522 1.498 1.545 1.00 0.00 C ATOM 1404 CG TYR T 91 -2.305 0.015 1.337 1.00 0.00 C ATOM 1405 CD1 TYR T 91 -3.370 -0.882 1.362 1.00 0.00 C ATOM 1406 CD2 TYR T 91 -1.030 -0.491 1.116 1.00 0.00 C ATOM 1407 CE1 TYR T 91 -3.167 -2.235 1.174 1.00 0.00 C ATOM 1408 CE2 TYR T 91 -0.821 -1.842 0.926 1.00 0.00 C ATOM 1409 CZ TYR T 91 -1.891 -2.710 0.956 1.00 0.00 C ATOM 1410 OH TYR T 91 -1.685 -4.057 0.767 1.00 0.00 O ATOM 0 H TYR T 91 -1.512 2.851 -0.450 1.00 0.00 H new ATOM 0 HA TYR T 91 -4.093 1.517 0.089 1.00 0.00 H new ATOM 0 HB2 TYR T 91 -1.552 1.984 1.652 1.00 0.00 H new ATOM 0 HB3 TYR T 91 -3.058 1.647 2.482 1.00 0.00 H new ATOM 0 HD1 TYR T 91 -4.371 -0.514 1.531 1.00 0.00 H new ATOM 0 HD2 TYR T 91 -0.188 0.185 1.092 1.00 0.00 H new ATOM 0 HE1 TYR T 91 -4.004 -2.918 1.198 1.00 0.00 H new ATOM 0 HE2 TYR T 91 0.177 -2.217 0.755 1.00 0.00 H new ATOM 0 HH TYR T 91 -1.142 -4.195 -0.037 1.00 0.00 H new ATOM 1420 N CYS T 92 -5.234 3.558 0.912 1.00 0.00 N ATOM 1421 CA CYS T 92 -5.925 4.760 1.361 1.00 0.00 C ATOM 1422 C CYS T 92 -6.361 4.637 2.816 1.00 0.00 C ATOM 1423 O CYS T 92 -6.564 3.536 3.326 1.00 0.00 O ATOM 1424 CB CYS T 92 -7.137 5.043 0.472 1.00 0.00 C ATOM 1425 SG CYS T 92 -7.216 6.753 -0.152 1.00 0.00 S ATOM 0 H CYS T 92 -5.848 2.806 0.599 1.00 0.00 H new ATOM 0 HA CYS T 92 -5.226 5.593 1.285 1.00 0.00 H new ATOM 0 HB2 CYS T 92 -7.120 4.358 -0.376 1.00 0.00 H new ATOM 0 HB3 CYS T 92 -8.045 4.831 1.036 1.00 0.00 H new ATOM 1430 N TYR T 93 -6.500 5.781 3.477 1.00 0.00 N ATOM 1431 CA TYR T 93 -6.911 5.819 4.873 1.00 0.00 C ATOM 1432 C TYR T 93 -7.810 7.018 5.139 1.00 0.00 C ATOM 1433 O TYR T 93 -7.448 8.157 4.844 1.00 0.00 O ATOM 1434 CB TYR T 93 -5.686 5.883 5.787 1.00 0.00 C ATOM 1435 CG TYR T 93 -6.031 5.779 7.255 1.00 0.00 C ATOM 1436 CD1 TYR T 93 -6.534 6.873 7.949 1.00 0.00 C ATOM 1437 CD2 TYR T 93 -5.856 4.587 7.947 1.00 0.00 C ATOM 1438 CE1 TYR T 93 -6.853 6.784 9.289 1.00 0.00 C ATOM 1439 CE2 TYR T 93 -6.173 4.490 9.290 1.00 0.00 C ATOM 1440 CZ TYR T 93 -6.670 5.591 9.956 1.00 0.00 C ATOM 1441 OH TYR T 93 -6.987 5.497 11.291 1.00 0.00 O ATOM 0 H TYR T 93 -6.333 6.699 3.064 1.00 0.00 H new ATOM 0 HA TYR T 93 -7.470 4.907 5.085 1.00 0.00 H new ATOM 0 HB2 TYR T 93 -5.002 5.076 5.523 1.00 0.00 H new ATOM 0 HB3 TYR T 93 -5.158 6.820 5.610 1.00 0.00 H new ATOM 0 HD1 TYR T 93 -6.678 7.809 7.431 1.00 0.00 H new ATOM 0 HD2 TYR T 93 -5.467 3.723 7.429 1.00 0.00 H new ATOM 0 HE1 TYR T 93 -7.244 7.644 9.812 1.00 0.00 H new ATOM 0 HE2 TYR T 93 -6.032 3.557 9.815 1.00 0.00 H new ATOM 0 HH TYR T 93 -6.800 4.589 11.609 1.00 0.00 H new ATOM 1451 N ASN T 94 -8.980 6.756 5.704 1.00 0.00 N ATOM 1452 CA ASN T 94 -9.931 7.813 6.016 1.00 0.00 C ATOM 1453 C ASN T 94 -10.761 7.441 7.237 1.00 0.00 C ATOM 1454 O ASN T 94 -11.258 6.319 7.343 1.00 0.00 O ATOM 1455 CB ASN T 94 -10.847 8.079 4.823 1.00 0.00 C ATOM 1456 CG ASN T 94 -10.301 9.144 3.892 1.00 0.00 C ATOM 1457 OD1 ASN T 94 -9.322 9.819 4.210 1.00 0.00 O ATOM 1458 ND2 ASN T 94 -10.935 9.301 2.736 1.00 0.00 N ATOM 0 H ASN T 94 -9.294 5.819 5.956 1.00 0.00 H new ATOM 0 HA ASN T 94 -9.370 8.721 6.237 1.00 0.00 H new ATOM 0 HB2 ASN T 94 -10.989 7.153 4.266 1.00 0.00 H new ATOM 0 HB3 ASN T 94 -11.828 8.387 5.185 1.00 0.00 H new ATOM 0 HD21 ASN T 94 -10.614 10.004 2.070 1.00 0.00 H new ATOM 0 HD22 ASN T 94 -11.743 8.719 2.514 1.00 0.00 H new