USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 770 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 70 LYS NZ :NH3+ -144:sc= 1.84 (180deg=-0.0692) USER MOD Set 1.2: A 71 TYR OH : rot 180:sc= 0.736 USER MOD Set 2.1: A 62 HIS : no HD1:sc= 0.138 X(o=-0.22,f=-0.0031) USER MOD Set 2.2: A 66 ASN : amide:sc= -0.353 X(o=-0.22,f=0) USER MOD Set 3.1: A 55 HIS :FLIP no HE2:sc= 0.0454 F(o=-1.3,f=-0.77) USER MOD Set 3.2: A 103 TYR OH : rot 180:sc= -0.819 USER MOD Set 4.1: A 48 THR OG1 : rot 102:sc= 0.713 USER MOD Set 4.2: A 49 THR OG1 : rot 93:sc= 1.24 USER MOD Set 5.1: A 26 MET CE :methyl -154:sc= -5.95! (180deg=-7.36!) USER MOD Set 5.2: A 88 THR OG1 : rot 81:sc= -1.07 USER MOD Single : A 17 LYS NZ :NH3+ -168:sc= -0.0161 (180deg=-0.15) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 164:sc= -0.0593 (180deg=-0.332) USER MOD Single : A 27 SER OG : rot -70:sc= 1.26 USER MOD Single : A 28 GLN : amide:sc= -0.465 X(o=-0.46,f=-0.66) USER MOD Single : A 32 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.13) USER MOD Single : A 33 CYS SG : rot 70:sc= 0.907 USER MOD Single : A 35 ASN :FLIP amide:sc= -0.12 F(o=-1.8!,f=-0.12) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.124 USER MOD Single : A 39 LYS NZ :NH3+ 163:sc= -0.0566 (180deg=-0.327) USER MOD Single : A 42 CYS SG : rot -94:sc= -3.28! USER MOD Single : A 43 LYS NZ :NH3+ 136:sc= 1.26 (180deg=0.698) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 166:sc= -0.0319 (180deg=-0.223) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 99:sc= 0.868 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 CYS SG : rot -113:sc= 1.22 USER MOD Single : A 73 LYS NZ :NH3+ 168:sc= -0.0307 (180deg=-0.218) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 CYS SG : rot 72:sc= 0.482 USER MOD Single : A 81 ASN : amide:sc= -4.93! C(o=-4.9!,f=-17!) USER MOD Single : A 83 ASN : amide:sc= -0.124 K(o=-0.12,f=-0.87) USER MOD Single : A 85 LYS NZ :NH3+ 166:sc= 1.22 (180deg=1.11) USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -154:sc= -0.162 (180deg=-0.761) USER MOD Single : A 89 LYS NZ :NH3+ -157:sc= 1.19 (180deg=1.05) USER MOD Single : A 91 TYR OH : rot 165:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 161:sc= -0.0737 (180deg=-0.397) USER MOD Single : A 95 TYR OH : rot 15:sc= -1.13 USER MOD Single : A 96 MET CE :methyl -159:sc= -0.273 (180deg=-1.63) USER MOD Single : A 97 GLN : amide:sc= -0.0592 K(o=-0.059,f=-2.2) USER MOD Single : A 98 LYS NZ :NH3+ 162:sc= -0.0848 (180deg=-0.416) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N LYS A 17 2.775 -13.802 7.119 1.00 0.00 N ATOM 104 CA LYS A 17 4.024 -13.315 6.606 1.00 0.00 C ATOM 105 C LYS A 17 3.768 -12.466 5.376 1.00 0.00 C ATOM 106 O LYS A 17 4.326 -11.384 5.242 1.00 0.00 O ATOM 107 CB LYS A 17 4.990 -14.472 6.251 1.00 0.00 C ATOM 108 CG LYS A 17 5.657 -15.184 7.435 1.00 0.00 C ATOM 109 CD LYS A 17 4.666 -15.868 8.364 1.00 0.00 C ATOM 110 CE LYS A 17 5.370 -16.538 9.529 1.00 0.00 C ATOM 111 NZ LYS A 17 6.253 -17.636 9.092 1.00 0.00 N ATOM 0 HA LYS A 17 4.497 -12.715 7.384 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.439 -15.213 5.672 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.773 -14.078 5.603 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.359 -15.926 7.055 1.00 0.00 H new ATOM 0 HG3 LYS A 17 6.238 -14.459 8.005 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.953 -15.135 8.741 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.095 -16.610 7.806 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.957 -15.797 10.071 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.627 -16.927 10.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.552 -18.191 9.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.740 -18.251 8.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.091 -17.241 8.620 1.00 0.00 H new ATOM 125 N SER A 18 2.887 -12.945 4.499 1.00 0.00 N ATOM 126 CA SER A 18 2.586 -12.267 3.240 1.00 0.00 C ATOM 127 C SER A 18 2.056 -10.838 3.447 1.00 0.00 C ATOM 128 O SER A 18 2.386 -9.964 2.687 1.00 0.00 O ATOM 129 CB SER A 18 1.620 -13.088 2.407 1.00 0.00 C ATOM 130 OG SER A 18 2.063 -14.434 2.328 1.00 0.00 O ATOM 0 H SER A 18 2.364 -13.809 4.640 1.00 0.00 H new ATOM 0 HA SER A 18 3.527 -12.175 2.698 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.624 -13.050 2.849 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.540 -12.664 1.406 1.00 0.00 H new ATOM 0 HG SER A 18 1.431 -14.955 1.790 1.00 0.00 H new ATOM 136 N LYS A 19 1.273 -10.600 4.506 1.00 0.00 N ATOM 137 CA LYS A 19 0.745 -9.259 4.782 1.00 0.00 C ATOM 138 C LYS A 19 1.864 -8.331 5.150 1.00 0.00 C ATOM 139 O LYS A 19 1.804 -7.161 4.858 1.00 0.00 O ATOM 140 CB LYS A 19 -0.322 -9.257 5.897 1.00 0.00 C ATOM 141 CG LYS A 19 -1.505 -10.219 5.677 1.00 0.00 C ATOM 142 CD LYS A 19 -2.692 -9.910 6.593 1.00 0.00 C ATOM 143 CE LYS A 19 -2.282 -9.896 8.041 1.00 0.00 C ATOM 144 NZ LYS A 19 -3.417 -9.650 8.953 1.00 0.00 N ATOM 0 H LYS A 19 0.993 -11.312 5.181 1.00 0.00 H new ATOM 0 HA LYS A 19 0.259 -8.915 3.869 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.161 -9.511 6.840 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.713 -8.245 6.002 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.828 -10.160 4.638 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.173 -11.243 5.851 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.118 -8.943 6.325 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.473 -10.655 6.442 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.820 -10.850 8.293 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.526 -9.126 8.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.079 -9.651 9.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.844 -8.727 8.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.129 -10.399 8.831 1.00 0.00 H new ATOM 158 N GLU A 20 2.893 -8.871 5.747 1.00 0.00 N ATOM 159 CA GLU A 20 4.049 -8.094 6.139 1.00 0.00 C ATOM 160 C GLU A 20 4.915 -7.847 4.964 1.00 0.00 C ATOM 161 O GLU A 20 5.349 -6.733 4.747 1.00 0.00 O ATOM 162 CB GLU A 20 4.810 -8.802 7.204 1.00 0.00 C ATOM 163 CG GLU A 20 3.952 -9.034 8.374 1.00 0.00 C ATOM 164 CD GLU A 20 3.527 -7.738 9.035 1.00 0.00 C ATOM 165 OE1 GLU A 20 4.400 -6.958 9.458 1.00 0.00 O ATOM 166 OE2 GLU A 20 2.319 -7.468 9.117 1.00 0.00 O ATOM 0 H GLU A 20 2.958 -9.862 5.977 1.00 0.00 H new ATOM 0 HA GLU A 20 3.712 -7.136 6.534 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.183 -9.753 6.823 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.679 -8.212 7.493 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.067 -9.592 8.069 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.485 -9.652 9.097 1.00 0.00 H new ATOM 173 N VAL A 21 5.122 -8.887 4.178 1.00 0.00 N ATOM 174 CA VAL A 21 5.887 -8.796 2.959 1.00 0.00 C ATOM 175 C VAL A 21 5.221 -7.767 2.073 1.00 0.00 C ATOM 176 O VAL A 21 5.871 -6.828 1.601 1.00 0.00 O ATOM 177 CB VAL A 21 5.957 -10.170 2.232 1.00 0.00 C ATOM 178 CG1 VAL A 21 6.743 -10.078 0.940 1.00 0.00 C ATOM 179 CG2 VAL A 21 6.578 -11.220 3.128 1.00 0.00 C ATOM 0 H VAL A 21 4.760 -9.821 4.372 1.00 0.00 H new ATOM 0 HA VAL A 21 6.911 -8.502 3.189 1.00 0.00 H new ATOM 0 HB VAL A 21 4.934 -10.459 1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.770 -11.056 0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.265 -9.360 0.273 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.760 -9.751 1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.617 -12.172 2.599 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.588 -10.915 3.400 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.977 -11.330 4.030 1.00 0.00 H new ATOM 189 N PHE A 22 3.905 -7.857 2.005 1.00 0.00 N ATOM 190 CA PHE A 22 3.104 -6.966 1.181 1.00 0.00 C ATOM 191 C PHE A 22 3.165 -5.575 1.714 1.00 0.00 C ATOM 192 O PHE A 22 3.510 -4.667 0.983 1.00 0.00 O ATOM 193 CB PHE A 22 1.631 -7.452 1.083 1.00 0.00 C ATOM 194 CG PHE A 22 0.616 -6.354 0.763 1.00 0.00 C ATOM 195 CD1 PHE A 22 0.585 -5.718 -0.471 1.00 0.00 C ATOM 196 CD2 PHE A 22 -0.284 -5.945 1.727 1.00 0.00 C ATOM 197 CE1 PHE A 22 -0.326 -4.701 -0.724 1.00 0.00 C ATOM 198 CE2 PHE A 22 -1.185 -4.944 1.473 1.00 0.00 C ATOM 199 CZ PHE A 22 -1.212 -4.321 0.256 1.00 0.00 C ATOM 0 H PHE A 22 3.360 -8.549 2.519 1.00 0.00 H new ATOM 0 HA PHE A 22 3.520 -6.975 0.174 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.567 -8.222 0.314 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.354 -7.920 2.027 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.278 -6.018 -1.243 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.278 -6.421 2.696 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.338 -4.211 -1.686 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -1.881 -4.644 2.242 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.926 -3.534 0.066 1.00 0.00 H new ATOM 209 N ARG A 23 2.860 -5.402 2.996 1.00 0.00 N ATOM 210 CA ARG A 23 2.885 -4.060 3.565 1.00 0.00 C ATOM 211 C ARG A 23 4.269 -3.428 3.459 1.00 0.00 C ATOM 212 O ARG A 23 4.376 -2.234 3.304 1.00 0.00 O ATOM 213 CB ARG A 23 2.295 -4.001 4.988 1.00 0.00 C ATOM 214 CG ARG A 23 3.099 -4.678 6.089 1.00 0.00 C ATOM 215 CD ARG A 23 4.003 -3.732 6.861 1.00 0.00 C ATOM 216 NE ARG A 23 4.588 -4.427 8.013 1.00 0.00 N ATOM 217 CZ ARG A 23 5.432 -3.919 8.905 1.00 0.00 C ATOM 218 NH1 ARG A 23 5.883 -2.672 8.795 1.00 0.00 N ATOM 219 NH2 ARG A 23 5.822 -4.684 9.911 1.00 0.00 N ATOM 0 H ARG A 23 2.601 -6.147 3.642 1.00 0.00 H new ATOM 0 HA ARG A 23 2.220 -3.447 2.958 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.162 -2.953 5.258 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.303 -4.452 4.964 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.411 -5.157 6.786 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.707 -5.468 5.648 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.794 -3.359 6.210 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.434 -2.866 7.199 1.00 0.00 H new ATOM 0 HE ARG A 23 4.319 -5.402 8.143 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.581 -2.087 8.015 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.530 -2.301 9.490 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.475 -5.640 9.989 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.469 -4.318 10.609 1.00 0.00 H new ATOM 233 N LYS A 24 5.322 -4.242 3.464 1.00 0.00 N ATOM 234 CA LYS A 24 6.666 -3.719 3.312 1.00 0.00 C ATOM 235 C LYS A 24 6.886 -3.197 1.902 1.00 0.00 C ATOM 236 O LYS A 24 7.303 -2.048 1.713 1.00 0.00 O ATOM 237 CB LYS A 24 7.752 -4.749 3.655 1.00 0.00 C ATOM 238 CG LYS A 24 7.903 -5.076 5.131 1.00 0.00 C ATOM 239 CD LYS A 24 8.397 -3.882 5.934 1.00 0.00 C ATOM 240 CE LYS A 24 8.648 -4.256 7.387 1.00 0.00 C ATOM 241 NZ LYS A 24 9.719 -5.267 7.526 1.00 0.00 N ATOM 0 H LYS A 24 5.266 -5.255 3.571 1.00 0.00 H new ATOM 0 HA LYS A 24 6.755 -2.900 4.026 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.535 -5.672 3.117 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.708 -4.380 3.283 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.944 -5.408 5.528 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.601 -5.905 5.249 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.316 -3.499 5.491 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.661 -3.079 5.885 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.919 -3.362 7.949 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.728 -4.641 7.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.044 -5.295 8.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.351 -6.202 7.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.516 -5.016 6.906 1.00 0.00 H new ATOM 255 N GLU A 25 6.548 -4.000 0.902 1.00 0.00 N ATOM 256 CA GLU A 25 6.794 -3.583 -0.432 1.00 0.00 C ATOM 257 C GLU A 25 5.819 -2.567 -0.902 1.00 0.00 C ATOM 258 O GLU A 25 6.132 -1.736 -1.742 1.00 0.00 O ATOM 259 CB GLU A 25 6.958 -4.732 -1.398 1.00 0.00 C ATOM 260 CG GLU A 25 6.109 -5.923 -1.183 1.00 0.00 C ATOM 261 CD GLU A 25 6.569 -7.050 -2.062 1.00 0.00 C ATOM 262 OE1 GLU A 25 6.327 -7.023 -3.294 1.00 0.00 O ATOM 263 OE2 GLU A 25 7.234 -7.962 -1.542 1.00 0.00 O ATOM 0 H GLU A 25 6.114 -4.918 1.004 1.00 0.00 H new ATOM 0 HA GLU A 25 7.764 -3.085 -0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.766 -4.358 -2.404 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.000 -5.051 -1.370 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.153 -6.226 -0.137 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.069 -5.682 -1.402 1.00 0.00 H new ATOM 270 N MET A 26 4.663 -2.595 -0.347 1.00 0.00 N ATOM 271 CA MET A 26 3.686 -1.648 -0.716 1.00 0.00 C ATOM 272 C MET A 26 3.968 -0.305 -0.080 1.00 0.00 C ATOM 273 O MET A 26 3.782 0.712 -0.703 1.00 0.00 O ATOM 274 CB MET A 26 2.310 -2.113 -0.374 1.00 0.00 C ATOM 275 CG MET A 26 1.317 -1.455 -1.229 1.00 0.00 C ATOM 276 SD MET A 26 1.725 -1.906 -2.911 1.00 0.00 S ATOM 277 CE MET A 26 0.637 -0.922 -3.792 1.00 0.00 C ATOM 0 H MET A 26 4.373 -3.266 0.365 1.00 0.00 H new ATOM 0 HA MET A 26 3.737 -1.535 -1.799 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.244 -3.194 -0.496 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.097 -1.897 0.673 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.308 -1.779 -0.973 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.347 -0.373 -1.098 1.00 0.00 H new ATOM 0 HE1 MET A 26 0.429 -1.384 -4.757 1.00 0.00 H new ATOM 0 HE2 MET A 26 -0.292 -0.816 -3.232 1.00 0.00 H new ATOM 0 HE3 MET A 26 1.081 0.061 -3.948 1.00 0.00 H new ATOM 287 N SER A 27 4.438 -0.318 1.156 1.00 0.00 N ATOM 288 CA SER A 27 4.797 0.897 1.814 1.00 0.00 C ATOM 289 C SER A 27 5.934 1.528 1.109 1.00 0.00 C ATOM 290 O SER A 27 5.937 2.698 0.904 1.00 0.00 O ATOM 291 CB SER A 27 5.128 0.725 3.293 1.00 0.00 C ATOM 292 OG SER A 27 6.120 -0.261 3.528 1.00 0.00 O ATOM 0 H SER A 27 4.575 -1.162 1.712 1.00 0.00 H new ATOM 0 HA SER A 27 3.918 1.540 1.776 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.469 1.679 3.697 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.221 0.456 3.834 1.00 0.00 H new ATOM 0 HG SER A 27 5.749 -1.149 3.342 1.00 0.00 H new ATOM 298 N GLN A 28 6.877 0.721 0.686 1.00 0.00 N ATOM 299 CA GLN A 28 8.058 1.237 0.007 1.00 0.00 C ATOM 300 C GLN A 28 7.652 1.820 -1.338 1.00 0.00 C ATOM 301 O GLN A 28 8.165 2.851 -1.784 1.00 0.00 O ATOM 302 CB GLN A 28 9.105 0.139 -0.154 1.00 0.00 C ATOM 303 CG GLN A 28 8.923 -0.791 -1.329 1.00 0.00 C ATOM 304 CD GLN A 28 9.994 -1.850 -1.455 1.00 0.00 C ATOM 305 OE1 GLN A 28 11.131 -1.659 -1.041 1.00 0.00 O ATOM 306 NE2 GLN A 28 9.666 -2.940 -2.082 1.00 0.00 N ATOM 0 H GLN A 28 6.857 -0.293 0.796 1.00 0.00 H new ATOM 0 HA GLN A 28 8.507 2.029 0.607 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.084 0.610 -0.239 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.117 -0.459 0.757 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.953 -1.280 -1.243 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.902 -0.201 -2.245 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.710 -3.069 -2.415 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.364 -3.666 -2.242 1.00 0.00 H new ATOM 315 N PHE A 29 6.745 1.127 -1.967 1.00 0.00 N ATOM 316 CA PHE A 29 6.136 1.557 -3.226 1.00 0.00 C ATOM 317 C PHE A 29 5.419 2.897 -3.047 1.00 0.00 C ATOM 318 O PHE A 29 5.685 3.852 -3.769 1.00 0.00 O ATOM 319 CB PHE A 29 5.158 0.487 -3.749 1.00 0.00 C ATOM 320 CG PHE A 29 4.427 0.859 -5.010 1.00 0.00 C ATOM 321 CD1 PHE A 29 5.022 0.682 -6.241 1.00 0.00 C ATOM 322 CD2 PHE A 29 3.136 1.383 -4.962 1.00 0.00 C ATOM 323 CE1 PHE A 29 4.355 1.020 -7.394 1.00 0.00 C ATOM 324 CE2 PHE A 29 2.473 1.716 -6.114 1.00 0.00 C ATOM 325 CZ PHE A 29 3.079 1.534 -7.321 1.00 0.00 C ATOM 0 H PHE A 29 6.392 0.232 -1.627 1.00 0.00 H new ATOM 0 HA PHE A 29 6.929 1.687 -3.963 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.712 -0.435 -3.926 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.425 0.274 -2.971 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.020 0.274 -6.300 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.653 1.528 -4.007 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.830 0.883 -8.354 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.473 2.121 -6.066 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.554 1.795 -8.228 1.00 0.00 H new ATOM 335 N ILE A 30 4.532 2.953 -2.078 1.00 0.00 N ATOM 336 CA ILE A 30 3.753 4.144 -1.781 1.00 0.00 C ATOM 337 C ILE A 30 4.635 5.280 -1.346 1.00 0.00 C ATOM 338 O ILE A 30 4.451 6.410 -1.786 1.00 0.00 O ATOM 339 CB ILE A 30 2.673 3.859 -0.730 1.00 0.00 C ATOM 340 CG1 ILE A 30 1.645 2.909 -1.346 1.00 0.00 C ATOM 341 CG2 ILE A 30 2.025 5.167 -0.259 1.00 0.00 C ATOM 342 CD1 ILE A 30 0.662 2.331 -0.379 1.00 0.00 C ATOM 0 H ILE A 30 4.326 2.165 -1.464 1.00 0.00 H new ATOM 0 HA ILE A 30 3.252 4.442 -2.702 1.00 0.00 H new ATOM 0 HB ILE A 30 3.113 3.389 0.150 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.097 3.444 -2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.175 2.092 -1.835 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.261 4.947 0.487 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.786 5.812 0.181 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.567 5.673 -1.109 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.025 1.671 -0.909 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.194 1.763 0.385 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.100 3.136 0.093 1.00 0.00 H new ATOM 354 N VAL A 31 5.580 4.985 -0.488 1.00 0.00 N ATOM 355 CA VAL A 31 6.580 5.953 -0.088 1.00 0.00 C ATOM 356 C VAL A 31 7.245 6.562 -1.314 1.00 0.00 C ATOM 357 O VAL A 31 7.314 7.779 -1.437 1.00 0.00 O ATOM 358 CB VAL A 31 7.626 5.303 0.867 1.00 0.00 C ATOM 359 CG1 VAL A 31 8.901 6.117 0.973 1.00 0.00 C ATOM 360 CG2 VAL A 31 7.018 5.147 2.255 1.00 0.00 C ATOM 0 H VAL A 31 5.681 4.071 -0.046 1.00 0.00 H new ATOM 0 HA VAL A 31 6.090 6.757 0.462 1.00 0.00 H new ATOM 0 HB VAL A 31 7.888 4.332 0.447 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.595 5.619 1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.358 6.208 -0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.668 7.110 1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.749 4.692 2.923 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.734 6.126 2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.135 4.510 2.196 1.00 0.00 H new ATOM 370 N GLN A 32 7.651 5.712 -2.247 1.00 0.00 N ATOM 371 CA GLN A 32 8.280 6.140 -3.476 1.00 0.00 C ATOM 372 C GLN A 32 7.332 7.027 -4.283 1.00 0.00 C ATOM 373 O GLN A 32 7.741 8.017 -4.876 1.00 0.00 O ATOM 374 CB GLN A 32 8.636 4.912 -4.292 1.00 0.00 C ATOM 375 CG GLN A 32 9.471 5.188 -5.509 1.00 0.00 C ATOM 376 CD GLN A 32 10.814 5.804 -5.166 1.00 0.00 C ATOM 377 OE1 GLN A 32 11.786 5.099 -4.932 1.00 0.00 O ATOM 378 NE2 GLN A 32 10.879 7.111 -5.147 1.00 0.00 N ATOM 0 H GLN A 32 7.550 4.700 -2.166 1.00 0.00 H new ATOM 0 HA GLN A 32 9.176 6.714 -3.240 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.171 4.210 -3.652 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.715 4.420 -4.604 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.630 4.258 -6.054 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.927 5.858 -6.174 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.047 7.666 -5.347 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.762 7.575 -4.932 1.00 0.00 H new ATOM 387 N CYS A 33 6.073 6.645 -4.282 1.00 0.00 N ATOM 388 CA CYS A 33 5.021 7.365 -4.960 1.00 0.00 C ATOM 389 C CYS A 33 4.781 8.730 -4.339 1.00 0.00 C ATOM 390 O CYS A 33 4.484 9.677 -5.040 1.00 0.00 O ATOM 391 CB CYS A 33 3.738 6.548 -4.920 1.00 0.00 C ATOM 392 SG CYS A 33 3.832 4.987 -5.815 1.00 0.00 S ATOM 0 H CYS A 33 5.747 5.808 -3.799 1.00 0.00 H new ATOM 0 HA CYS A 33 5.332 7.521 -5.993 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.482 6.344 -3.880 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.927 7.145 -5.336 1.00 0.00 H new ATOM 0 HG CYS A 33 4.616 4.168 -5.179 1.00 0.00 H new ATOM 398 N LEU A 34 4.895 8.808 -3.025 1.00 0.00 N ATOM 399 CA LEU A 34 4.737 10.059 -2.291 1.00 0.00 C ATOM 400 C LEU A 34 5.993 10.919 -2.337 1.00 0.00 C ATOM 401 O LEU A 34 5.931 12.111 -2.049 1.00 0.00 O ATOM 402 CB LEU A 34 4.324 9.832 -0.843 1.00 0.00 C ATOM 403 CG LEU A 34 2.928 9.287 -0.585 1.00 0.00 C ATOM 404 CD1 LEU A 34 2.705 9.185 0.909 1.00 0.00 C ATOM 405 CD2 LEU A 34 1.864 10.180 -1.218 1.00 0.00 C ATOM 0 H LEU A 34 5.101 8.004 -2.431 1.00 0.00 H new ATOM 0 HA LEU A 34 3.934 10.595 -2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.041 9.145 -0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.417 10.781 -0.315 1.00 0.00 H new ATOM 0 HG LEU A 34 2.845 8.299 -1.039 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.706 8.795 1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.447 8.514 1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.802 10.173 1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.876 9.766 -1.018 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.931 11.182 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.025 10.230 -2.295 1.00 0.00 H new ATOM 417 N ASN A 35 7.141 10.300 -2.634 1.00 0.00 N ATOM 418 CA ASN A 35 8.420 11.045 -2.841 1.00 0.00 C ATOM 419 C ASN A 35 8.291 12.367 -3.618 1.00 0.00 C ATOM 420 O ASN A 35 8.765 13.389 -3.140 1.00 0.00 O ATOM 421 CB ASN A 35 9.527 10.184 -3.459 1.00 0.00 C ATOM 422 CG ASN A 35 10.309 9.506 -2.428 1.00 0.00 C ATOM 423 OD1 ASN A 35 9.651 9.169 -1.391 1.00 0.00 O flip ATOM 424 ND2 ASN A 35 11.504 9.258 -2.575 1.00 0.00 N flip ATOM 0 H ASN A 35 7.226 9.289 -2.739 1.00 0.00 H new ATOM 0 HA ASN A 35 8.707 11.311 -1.824 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.086 9.446 -4.128 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.183 10.810 -4.063 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.985 9.550 -3.426 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.015 8.760 -1.846 1.00 0.00 H new ATOM 431 N PRO A 36 7.642 12.394 -4.816 1.00 0.00 N ATOM 432 CA PRO A 36 7.476 13.636 -5.573 1.00 0.00 C ATOM 433 C PRO A 36 6.534 14.639 -4.896 1.00 0.00 C ATOM 434 O PRO A 36 6.554 15.830 -5.208 1.00 0.00 O ATOM 435 CB PRO A 36 6.904 13.185 -6.921 1.00 0.00 C ATOM 436 CG PRO A 36 6.287 11.862 -6.656 1.00 0.00 C ATOM 437 CD PRO A 36 7.088 11.236 -5.558 1.00 0.00 C ATOM 0 HA PRO A 36 8.425 14.166 -5.658 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.167 13.896 -7.294 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.686 13.111 -7.676 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.243 11.972 -6.361 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.302 11.240 -7.551 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.467 10.611 -4.917 1.00 0.00 H new ATOM 0 HD3 PRO A 36 7.879 10.599 -5.954 1.00 0.00 H new ATOM 445 N TYR A 37 5.763 14.173 -3.951 1.00 0.00 N ATOM 446 CA TYR A 37 4.788 15.013 -3.288 1.00 0.00 C ATOM 447 C TYR A 37 5.409 15.769 -2.155 1.00 0.00 C ATOM 448 O TYR A 37 4.993 16.860 -1.833 1.00 0.00 O ATOM 449 CB TYR A 37 3.596 14.198 -2.795 1.00 0.00 C ATOM 450 CG TYR A 37 2.777 13.596 -3.903 1.00 0.00 C ATOM 451 CD1 TYR A 37 3.159 12.421 -4.516 1.00 0.00 C ATOM 452 CD2 TYR A 37 1.619 14.207 -4.330 1.00 0.00 C ATOM 453 CE1 TYR A 37 2.418 11.865 -5.526 1.00 0.00 C ATOM 454 CE2 TYR A 37 0.863 13.668 -5.340 1.00 0.00 C ATOM 455 CZ TYR A 37 1.266 12.493 -5.938 1.00 0.00 C ATOM 456 OH TYR A 37 0.508 11.949 -6.952 1.00 0.00 O ATOM 0 H TYR A 37 5.788 13.210 -3.617 1.00 0.00 H new ATOM 0 HA TYR A 37 4.425 15.732 -4.022 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.956 13.400 -2.146 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.956 14.838 -2.188 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.063 11.927 -4.192 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.300 15.127 -3.862 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.735 10.944 -5.993 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.042 14.161 -5.664 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.273 12.518 -7.118 1.00 0.00 H new ATOM 466 N ARG A 38 6.444 15.212 -1.575 1.00 0.00 N ATOM 467 CA ARG A 38 7.099 15.858 -0.434 1.00 0.00 C ATOM 468 C ARG A 38 8.120 16.872 -0.908 1.00 0.00 C ATOM 469 O ARG A 38 8.793 17.527 -0.106 1.00 0.00 O ATOM 470 CB ARG A 38 7.758 14.845 0.478 1.00 0.00 C ATOM 471 CG ARG A 38 8.895 14.104 -0.170 1.00 0.00 C ATOM 472 CD ARG A 38 9.565 13.187 0.816 1.00 0.00 C ATOM 473 NE ARG A 38 10.694 12.462 0.233 1.00 0.00 N ATOM 474 CZ ARG A 38 11.256 11.369 0.773 1.00 0.00 C ATOM 475 NH1 ARG A 38 10.908 10.966 1.982 1.00 0.00 N ATOM 476 NH2 ARG A 38 12.206 10.720 0.129 1.00 0.00 N ATOM 0 H ARG A 38 6.857 14.324 -1.860 1.00 0.00 H new ATOM 0 HA ARG A 38 6.326 16.372 0.137 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.127 15.355 1.368 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.009 14.126 0.811 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.523 13.526 -1.016 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.621 14.815 -0.564 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.913 13.769 1.669 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.835 12.471 1.195 1.00 0.00 H new ATOM 0 HE ARG A 38 11.081 12.811 -0.644 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.208 11.486 2.511 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.339 10.135 2.386 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.518 11.048 -0.785 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.629 9.890 0.545 1.00 0.00 H new ATOM 490 N LYS A 39 8.242 16.978 -2.204 1.00 0.00 N ATOM 491 CA LYS A 39 9.099 17.963 -2.802 1.00 0.00 C ATOM 492 C LYS A 39 8.382 19.283 -2.689 1.00 0.00 C ATOM 493 O LYS A 39 7.209 19.356 -3.006 1.00 0.00 O ATOM 494 CB LYS A 39 9.331 17.671 -4.286 1.00 0.00 C ATOM 495 CG LYS A 39 9.830 16.283 -4.586 1.00 0.00 C ATOM 496 CD LYS A 39 11.079 15.954 -3.816 1.00 0.00 C ATOM 497 CE LYS A 39 11.604 14.599 -4.209 1.00 0.00 C ATOM 498 NZ LYS A 39 12.091 14.573 -5.609 1.00 0.00 N ATOM 0 H LYS A 39 7.751 16.385 -2.873 1.00 0.00 H new ATOM 0 HA LYS A 39 10.066 17.964 -2.300 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.396 17.830 -4.824 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.049 18.392 -4.676 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.053 15.558 -4.343 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.028 16.192 -5.654 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.839 16.713 -4.004 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.868 15.972 -2.747 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.416 14.317 -3.538 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.816 13.856 -4.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.694 13.738 -5.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.280 14.529 -6.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.641 15.434 -5.801 1.00 0.00 H new ATOM 512 N PRO A 40 9.063 20.346 -2.283 1.00 0.00 N ATOM 513 CA PRO A 40 8.442 21.671 -2.069 1.00 0.00 C ATOM 514 C PRO A 40 7.830 22.273 -3.349 1.00 0.00 C ATOM 515 O PRO A 40 7.015 23.198 -3.293 1.00 0.00 O ATOM 516 CB PRO A 40 9.611 22.533 -1.575 1.00 0.00 C ATOM 517 CG PRO A 40 10.834 21.822 -2.034 1.00 0.00 C ATOM 518 CD PRO A 40 10.502 20.367 -1.991 1.00 0.00 C ATOM 0 HA PRO A 40 7.606 21.611 -1.373 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.561 23.540 -1.989 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.597 22.633 -0.490 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.110 22.130 -3.043 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.683 22.048 -1.389 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.071 19.801 -2.729 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.722 19.932 -1.016 1.00 0.00 H new ATOM 526 N ASP A 41 8.152 21.686 -4.477 1.00 0.00 N ATOM 527 CA ASP A 41 7.729 22.199 -5.761 1.00 0.00 C ATOM 528 C ASP A 41 6.504 21.408 -6.275 1.00 0.00 C ATOM 529 O ASP A 41 5.997 21.658 -7.373 1.00 0.00 O ATOM 530 CB ASP A 41 8.912 22.123 -6.748 1.00 0.00 C ATOM 531 CG ASP A 41 8.668 22.834 -8.063 1.00 0.00 C ATOM 532 OD1 ASP A 41 8.911 24.066 -8.150 1.00 0.00 O ATOM 533 OD2 ASP A 41 8.273 22.190 -9.036 1.00 0.00 O ATOM 0 H ASP A 41 8.716 20.838 -4.532 1.00 0.00 H new ATOM 0 HA ASP A 41 7.425 23.241 -5.665 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.795 22.552 -6.274 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.136 21.076 -6.950 1.00 0.00 H new ATOM 538 N CYS A 42 6.032 20.456 -5.450 1.00 0.00 N ATOM 539 CA CYS A 42 4.875 19.647 -5.806 1.00 0.00 C ATOM 540 C CYS A 42 3.657 20.550 -5.978 1.00 0.00 C ATOM 541 O CYS A 42 3.404 21.439 -5.148 1.00 0.00 O ATOM 542 CB CYS A 42 4.607 18.582 -4.759 1.00 0.00 C ATOM 543 SG CYS A 42 3.295 17.414 -5.184 1.00 0.00 S ATOM 0 H CYS A 42 6.438 20.236 -4.540 1.00 0.00 H new ATOM 0 HA CYS A 42 5.081 19.137 -6.747 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.527 18.025 -4.584 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.348 19.072 -3.821 1.00 0.00 H new ATOM 0 HG CYS A 42 2.168 17.826 -4.683 1.00 0.00 H new ATOM 549 N LYS A 43 2.927 20.334 -7.042 1.00 0.00 N ATOM 550 CA LYS A 43 1.819 21.185 -7.393 1.00 0.00 C ATOM 551 C LYS A 43 0.547 20.734 -6.702 1.00 0.00 C ATOM 552 O LYS A 43 -0.313 21.555 -6.371 1.00 0.00 O ATOM 553 CB LYS A 43 1.594 21.236 -8.929 1.00 0.00 C ATOM 554 CG LYS A 43 2.766 21.786 -9.772 1.00 0.00 C ATOM 555 CD LYS A 43 3.933 20.802 -9.891 1.00 0.00 C ATOM 556 CE LYS A 43 5.089 21.380 -10.706 1.00 0.00 C ATOM 557 NZ LYS A 43 5.700 22.562 -10.064 1.00 0.00 N ATOM 0 H LYS A 43 3.084 19.562 -7.690 1.00 0.00 H new ATOM 0 HA LYS A 43 2.071 22.189 -7.053 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.366 20.228 -9.276 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.714 21.848 -9.126 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.404 22.033 -10.770 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.124 22.713 -9.324 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.288 20.539 -8.895 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.584 19.881 -10.359 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.850 20.612 -10.845 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.728 21.655 -11.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.736 22.489 -10.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.388 23.424 -10.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.406 22.606 -9.067 1.00 0.00 H new ATOM 571 N VAL A 44 0.427 19.445 -6.476 1.00 0.00 N ATOM 572 CA VAL A 44 -0.771 18.912 -5.875 1.00 0.00 C ATOM 573 C VAL A 44 -0.442 17.931 -4.753 1.00 0.00 C ATOM 574 O VAL A 44 0.284 16.965 -4.953 1.00 0.00 O ATOM 575 CB VAL A 44 -1.726 18.271 -6.938 1.00 0.00 C ATOM 576 CG1 VAL A 44 -1.080 17.112 -7.682 1.00 0.00 C ATOM 577 CG2 VAL A 44 -3.053 17.861 -6.323 1.00 0.00 C ATOM 0 H VAL A 44 1.141 18.751 -6.698 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.307 19.751 -5.432 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.926 19.046 -7.678 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.786 16.706 -8.406 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.190 17.465 -8.202 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.801 16.334 -6.971 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.689 17.420 -7.091 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.878 17.130 -5.533 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.546 18.738 -5.903 1.00 0.00 H new ATOM 587 N GLY A 45 -0.956 18.215 -3.580 1.00 0.00 N ATOM 588 CA GLY A 45 -0.733 17.372 -2.432 1.00 0.00 C ATOM 589 C GLY A 45 0.712 17.417 -1.968 1.00 0.00 C ATOM 590 O GLY A 45 1.320 16.380 -1.745 1.00 0.00 O ATOM 0 H GLY A 45 -1.537 19.033 -3.396 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.386 17.687 -1.618 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.003 16.345 -2.678 1.00 0.00 H new ATOM 594 N ARG A 46 1.274 18.615 -1.835 1.00 0.00 N ATOM 595 CA ARG A 46 2.651 18.755 -1.402 1.00 0.00 C ATOM 596 C ARG A 46 2.748 18.398 0.069 1.00 0.00 C ATOM 597 O ARG A 46 2.113 19.027 0.914 1.00 0.00 O ATOM 598 CB ARG A 46 3.154 20.198 -1.653 1.00 0.00 C ATOM 599 CG ARG A 46 4.682 20.369 -1.650 1.00 0.00 C ATOM 600 CD ARG A 46 5.347 20.318 -0.289 1.00 0.00 C ATOM 601 NE ARG A 46 5.084 21.514 0.522 1.00 0.00 N ATOM 602 CZ ARG A 46 5.675 21.794 1.704 1.00 0.00 C ATOM 603 NH1 ARG A 46 6.496 20.920 2.273 1.00 0.00 N ATOM 604 NH2 ARG A 46 5.412 22.933 2.315 1.00 0.00 N ATOM 0 H ARG A 46 0.795 19.496 -2.021 1.00 0.00 H new ATOM 0 HA ARG A 46 3.284 18.078 -1.976 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.768 20.538 -2.614 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.730 20.851 -0.890 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.117 19.590 -2.276 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.923 21.324 -2.116 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.996 19.437 0.248 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.423 20.204 -0.420 1.00 0.00 H new ATOM 0 HE ARG A 46 4.403 22.184 0.165 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.686 20.027 1.818 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.937 21.141 3.166 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.764 23.599 1.895 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.857 23.147 3.208 1.00 0.00 H new ATOM 618 N ILE A 47 3.523 17.404 0.365 1.00 0.00 N ATOM 619 CA ILE A 47 3.686 16.957 1.720 1.00 0.00 C ATOM 620 C ILE A 47 4.568 17.903 2.491 1.00 0.00 C ATOM 621 O ILE A 47 5.731 18.140 2.138 1.00 0.00 O ATOM 622 CB ILE A 47 4.185 15.497 1.825 1.00 0.00 C ATOM 623 CG1 ILE A 47 3.217 14.580 1.064 1.00 0.00 C ATOM 624 CG2 ILE A 47 4.297 15.094 3.282 1.00 0.00 C ATOM 625 CD1 ILE A 47 3.626 13.133 1.005 1.00 0.00 C ATOM 0 H ILE A 47 4.062 16.877 -0.322 1.00 0.00 H new ATOM 0 HA ILE A 47 2.695 16.963 2.173 1.00 0.00 H new ATOM 0 HB ILE A 47 5.175 15.406 1.377 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.235 14.646 1.532 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.111 14.954 0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.649 14.065 3.349 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.003 15.752 3.788 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.320 15.175 3.758 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.880 12.566 0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.592 13.048 0.508 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.702 12.735 2.017 1.00 0.00 H new ATOM 637 N THR A 48 3.978 18.458 3.501 1.00 0.00 N ATOM 638 CA THR A 48 4.567 19.428 4.362 1.00 0.00 C ATOM 639 C THR A 48 5.823 18.943 5.053 1.00 0.00 C ATOM 640 O THR A 48 6.908 19.509 4.880 1.00 0.00 O ATOM 641 CB THR A 48 3.530 19.804 5.404 1.00 0.00 C ATOM 642 OG1 THR A 48 2.882 18.598 5.842 1.00 0.00 O ATOM 643 CG2 THR A 48 2.508 20.671 4.792 1.00 0.00 C ATOM 0 H THR A 48 3.018 18.232 3.760 1.00 0.00 H new ATOM 0 HA THR A 48 4.869 20.280 3.753 1.00 0.00 H new ATOM 0 HB THR A 48 4.010 20.323 6.234 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.248 18.327 6.710 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.764 20.941 5.541 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.980 21.575 4.408 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.023 20.140 3.973 1.00 0.00 H new ATOM 651 N THR A 49 5.692 17.898 5.789 1.00 0.00 N ATOM 652 CA THR A 49 6.772 17.471 6.606 1.00 0.00 C ATOM 653 C THR A 49 6.913 15.957 6.554 1.00 0.00 C ATOM 654 O THR A 49 5.987 15.259 6.143 1.00 0.00 O ATOM 655 CB THR A 49 6.578 17.989 8.062 1.00 0.00 C ATOM 656 OG1 THR A 49 5.469 18.920 8.103 1.00 0.00 O ATOM 657 CG2 THR A 49 7.822 18.727 8.531 1.00 0.00 C ATOM 0 H THR A 49 4.851 17.324 5.843 1.00 0.00 H new ATOM 0 HA THR A 49 7.701 17.895 6.225 1.00 0.00 H new ATOM 0 HB THR A 49 6.387 17.131 8.707 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.647 18.440 8.337 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.671 19.083 9.550 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.677 18.052 8.505 1.00 0.00 H new ATOM 0 HG23 THR A 49 8.011 19.576 7.874 1.00 0.00 H new ATOM 665 N THR A 50 8.062 15.473 6.934 1.00 0.00 N ATOM 666 CA THR A 50 8.386 14.070 6.906 1.00 0.00 C ATOM 667 C THR A 50 7.429 13.225 7.740 1.00 0.00 C ATOM 668 O THR A 50 6.986 12.174 7.298 1.00 0.00 O ATOM 669 CB THR A 50 9.843 13.867 7.369 1.00 0.00 C ATOM 670 OG1 THR A 50 10.245 12.498 7.252 1.00 0.00 O ATOM 671 CG2 THR A 50 10.073 14.358 8.774 1.00 0.00 C ATOM 0 H THR A 50 8.822 16.058 7.282 1.00 0.00 H new ATOM 0 HA THR A 50 8.277 13.728 5.877 1.00 0.00 H new ATOM 0 HB THR A 50 10.461 14.470 6.703 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.173 12.403 7.552 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.114 14.192 9.052 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.848 15.423 8.829 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.423 13.815 9.460 1.00 0.00 H new ATOM 679 N GLU A 51 7.082 13.701 8.915 1.00 0.00 N ATOM 680 CA GLU A 51 6.145 13.013 9.767 1.00 0.00 C ATOM 681 C GLU A 51 4.780 12.930 9.114 1.00 0.00 C ATOM 682 O GLU A 51 4.063 11.935 9.287 1.00 0.00 O ATOM 683 CB GLU A 51 6.054 13.621 11.179 1.00 0.00 C ATOM 684 CG GLU A 51 5.836 15.128 11.238 1.00 0.00 C ATOM 685 CD GLU A 51 7.127 15.900 11.148 1.00 0.00 C ATOM 686 OE1 GLU A 51 7.704 16.008 10.061 1.00 0.00 O ATOM 687 OE2 GLU A 51 7.602 16.378 12.187 1.00 0.00 O ATOM 0 H GLU A 51 7.441 14.573 9.304 1.00 0.00 H new ATOM 0 HA GLU A 51 6.528 12.001 9.897 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.238 13.133 11.712 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.972 13.384 11.716 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.178 15.429 10.423 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.328 15.383 12.168 1.00 0.00 H new ATOM 694 N ASP A 52 4.444 13.935 8.318 1.00 0.00 N ATOM 695 CA ASP A 52 3.185 13.954 7.577 1.00 0.00 C ATOM 696 C ASP A 52 3.250 12.952 6.475 1.00 0.00 C ATOM 697 O ASP A 52 2.294 12.209 6.231 1.00 0.00 O ATOM 698 CB ASP A 52 2.933 15.325 6.951 1.00 0.00 C ATOM 699 CG ASP A 52 2.572 16.414 7.925 1.00 0.00 C ATOM 700 OD1 ASP A 52 1.428 16.443 8.426 1.00 0.00 O ATOM 701 OD2 ASP A 52 3.416 17.305 8.170 1.00 0.00 O ATOM 0 H ASP A 52 5.030 14.756 8.166 1.00 0.00 H new ATOM 0 HA ASP A 52 2.380 13.723 8.275 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.827 15.628 6.406 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.130 15.232 6.220 1.00 0.00 H new ATOM 706 N PHE A 53 4.399 12.922 5.827 1.00 0.00 N ATOM 707 CA PHE A 53 4.704 11.986 4.773 1.00 0.00 C ATOM 708 C PHE A 53 4.522 10.549 5.300 1.00 0.00 C ATOM 709 O PHE A 53 3.834 9.734 4.695 1.00 0.00 O ATOM 710 CB PHE A 53 6.154 12.218 4.290 1.00 0.00 C ATOM 711 CG PHE A 53 6.671 11.228 3.296 1.00 0.00 C ATOM 712 CD1 PHE A 53 7.275 10.056 3.716 1.00 0.00 C ATOM 713 CD2 PHE A 53 6.557 11.468 1.952 1.00 0.00 C ATOM 714 CE1 PHE A 53 7.747 9.149 2.808 1.00 0.00 C ATOM 715 CE2 PHE A 53 7.031 10.567 1.037 1.00 0.00 C ATOM 716 CZ PHE A 53 7.622 9.408 1.458 1.00 0.00 C ATOM 0 H PHE A 53 5.163 13.567 6.028 1.00 0.00 H new ATOM 0 HA PHE A 53 4.029 12.134 3.930 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.216 13.213 3.850 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.813 12.211 5.159 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.375 9.855 4.773 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.088 12.379 1.610 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.215 8.236 3.145 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.938 10.772 -0.019 1.00 0.00 H new ATOM 0 HZ PHE A 53 7.991 8.696 0.735 1.00 0.00 H new ATOM 726 N LYS A 54 5.123 10.287 6.441 1.00 0.00 N ATOM 727 CA LYS A 54 5.075 8.993 7.086 1.00 0.00 C ATOM 728 C LYS A 54 3.665 8.616 7.480 1.00 0.00 C ATOM 729 O LYS A 54 3.231 7.491 7.234 1.00 0.00 O ATOM 730 CB LYS A 54 5.990 8.992 8.310 1.00 0.00 C ATOM 731 CG LYS A 54 7.455 9.193 7.937 1.00 0.00 C ATOM 732 CD LYS A 54 8.373 9.158 9.142 1.00 0.00 C ATOM 733 CE LYS A 54 8.396 7.781 9.805 1.00 0.00 C ATOM 734 NZ LYS A 54 8.886 6.727 8.890 1.00 0.00 N ATOM 0 H LYS A 54 5.668 10.979 6.955 1.00 0.00 H new ATOM 0 HA LYS A 54 5.423 8.246 6.373 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.680 9.782 8.994 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.879 8.048 8.843 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.756 8.418 7.233 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.568 10.149 7.426 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.383 9.430 8.836 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.048 9.904 9.867 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.032 7.816 10.689 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.392 7.527 10.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.110 5.870 9.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.151 6.508 8.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.742 7.061 8.403 1.00 0.00 H new ATOM 748 N HIS A 55 2.933 9.584 8.011 1.00 0.00 N ATOM 749 CA HIS A 55 1.537 9.418 8.451 1.00 0.00 C ATOM 750 C HIS A 55 0.688 8.987 7.262 1.00 0.00 C ATOM 751 O HIS A 55 -0.055 7.969 7.312 1.00 0.00 O ATOM 752 CB HIS A 55 1.058 10.784 9.006 1.00 0.00 C ATOM 753 CG HIS A 55 -0.397 10.932 9.380 1.00 0.00 C ATOM 754 ND1 HIS A 55 -1.454 11.327 8.633 1.00 0.00 N flip ATOM 755 CD2 HIS A 55 -0.878 10.787 10.662 1.00 0.00 C flip ATOM 756 CE1 HIS A 55 -2.531 11.421 9.462 1.00 0.00 C flip ATOM 757 NE2 HIS A 55 -2.158 11.088 10.686 1.00 0.00 N flip ATOM 0 H HIS A 55 3.290 10.528 8.155 1.00 0.00 H new ATOM 0 HA HIS A 55 1.450 8.655 9.225 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.654 11.011 9.890 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.289 11.545 8.261 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -1.446 11.519 7.631 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.295 10.475 11.515 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -3.527 11.719 9.168 1.00 0.00 H new ATOM 765 N LEU A 56 0.827 9.721 6.199 1.00 0.00 N ATOM 766 CA LEU A 56 0.069 9.484 5.024 1.00 0.00 C ATOM 767 C LEU A 56 0.472 8.171 4.368 1.00 0.00 C ATOM 768 O LEU A 56 -0.400 7.368 4.043 1.00 0.00 O ATOM 769 CB LEU A 56 0.221 10.624 4.021 1.00 0.00 C ATOM 770 CG LEU A 56 -1.037 11.119 3.332 1.00 0.00 C ATOM 771 CD1 LEU A 56 -0.684 11.782 2.017 1.00 0.00 C ATOM 772 CD2 LEU A 56 -2.093 10.051 3.188 1.00 0.00 C ATOM 0 H LEU A 56 1.476 10.505 6.130 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.977 9.424 5.326 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.677 11.469 4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.923 10.304 3.251 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.494 11.871 3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.594 12.134 1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.022 12.628 2.202 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.182 11.063 1.370 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.967 10.468 2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.697 9.225 2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.379 9.687 4.175 1.00 0.00 H new ATOM 784 N ALA A 57 1.786 7.928 4.212 1.00 0.00 N ATOM 785 CA ALA A 57 2.269 6.699 3.571 1.00 0.00 C ATOM 786 C ALA A 57 1.717 5.479 4.285 1.00 0.00 C ATOM 787 O ALA A 57 1.280 4.512 3.643 1.00 0.00 O ATOM 788 CB ALA A 57 3.787 6.653 3.497 1.00 0.00 C ATOM 0 H ALA A 57 2.524 8.562 4.519 1.00 0.00 H new ATOM 0 HA ALA A 57 1.904 6.695 2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.100 5.727 3.016 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.149 7.503 2.918 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.202 6.697 4.504 1.00 0.00 H new ATOM 794 N ARG A 58 1.670 5.567 5.608 1.00 0.00 N ATOM 795 CA ARG A 58 1.116 4.483 6.434 1.00 0.00 C ATOM 796 C ARG A 58 -0.344 4.274 6.098 1.00 0.00 C ATOM 797 O ARG A 58 -0.766 3.154 5.755 1.00 0.00 O ATOM 798 CB ARG A 58 1.230 4.795 7.923 1.00 0.00 C ATOM 799 CG ARG A 58 2.631 4.822 8.472 1.00 0.00 C ATOM 800 CD ARG A 58 2.615 5.321 9.898 1.00 0.00 C ATOM 801 NE ARG A 58 3.965 5.414 10.472 1.00 0.00 N ATOM 802 CZ ARG A 58 4.368 6.339 11.360 1.00 0.00 C ATOM 803 NH1 ARG A 58 3.495 7.206 11.875 1.00 0.00 N ATOM 804 NH2 ARG A 58 5.637 6.361 11.759 1.00 0.00 N ATOM 0 H ARG A 58 2.006 6.371 6.138 1.00 0.00 H new ATOM 0 HA ARG A 58 1.692 3.583 6.218 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.766 5.763 8.110 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.655 4.053 8.477 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.066 3.823 8.432 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.259 5.468 7.858 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.140 6.301 9.932 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.009 4.651 10.508 1.00 0.00 H new ATOM 0 HE ARG A 58 4.651 4.721 10.172 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.515 7.170 11.595 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.808 7.905 12.548 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.299 5.678 11.391 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.948 7.061 12.433 1.00 0.00 H new ATOM 818 N LYS A 59 -1.100 5.366 6.139 1.00 0.00 N ATOM 819 CA LYS A 59 -2.528 5.310 5.890 1.00 0.00 C ATOM 820 C LYS A 59 -2.871 4.738 4.510 1.00 0.00 C ATOM 821 O LYS A 59 -3.792 3.920 4.379 1.00 0.00 O ATOM 822 CB LYS A 59 -3.170 6.690 6.091 1.00 0.00 C ATOM 823 CG LYS A 59 -4.643 6.771 5.692 1.00 0.00 C ATOM 824 CD LYS A 59 -5.302 8.052 6.180 1.00 0.00 C ATOM 825 CE LYS A 59 -4.560 9.303 5.730 1.00 0.00 C ATOM 826 NZ LYS A 59 -5.179 10.525 6.269 1.00 0.00 N ATOM 0 H LYS A 59 -0.743 6.300 6.343 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.947 4.619 6.622 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.075 6.971 7.140 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.610 7.425 5.513 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.727 6.712 4.607 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.176 5.912 6.100 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.327 8.091 5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.354 8.037 7.269 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.521 9.247 6.055 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.551 9.349 4.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.647 11.357 5.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.163 10.591 5.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.165 10.492 7.308 1.00 0.00 H new ATOM 840 N LEU A 60 -2.132 5.151 3.504 1.00 0.00 N ATOM 841 CA LEU A 60 -2.386 4.720 2.129 1.00 0.00 C ATOM 842 C LEU A 60 -2.073 3.260 1.952 1.00 0.00 C ATOM 843 O LEU A 60 -2.857 2.518 1.346 1.00 0.00 O ATOM 844 CB LEU A 60 -1.586 5.578 1.187 1.00 0.00 C ATOM 845 CG LEU A 60 -1.891 7.042 1.359 1.00 0.00 C ATOM 846 CD1 LEU A 60 -0.817 7.914 0.752 1.00 0.00 C ATOM 847 CD2 LEU A 60 -3.251 7.367 0.791 1.00 0.00 C ATOM 0 H LEU A 60 -1.343 5.789 3.604 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.445 4.843 1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.523 5.407 1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.797 5.282 0.159 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.906 7.258 2.427 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.075 8.963 0.897 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.138 7.705 1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.738 7.704 -0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.456 8.429 0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.269 7.124 -0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.011 6.783 1.310 1.00 0.00 H new ATOM 859 N THR A 61 -0.936 2.839 2.523 1.00 0.00 N ATOM 860 CA THR A 61 -0.528 1.443 2.489 1.00 0.00 C ATOM 861 C THR A 61 -1.618 0.600 3.096 1.00 0.00 C ATOM 862 O THR A 61 -2.010 -0.441 2.562 1.00 0.00 O ATOM 863 CB THR A 61 0.804 1.224 3.286 1.00 0.00 C ATOM 864 OG1 THR A 61 1.832 2.088 2.770 1.00 0.00 O ATOM 865 CG2 THR A 61 1.283 -0.229 3.180 1.00 0.00 C ATOM 0 H THR A 61 -0.286 3.454 3.013 1.00 0.00 H new ATOM 0 HA THR A 61 -0.356 1.155 1.452 1.00 0.00 H new ATOM 0 HB THR A 61 0.606 1.456 4.333 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.909 2.882 3.340 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.209 -0.349 3.743 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.521 -0.894 3.588 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.460 -0.478 2.134 1.00 0.00 H new ATOM 873 N HIS A 62 -2.162 1.100 4.165 1.00 0.00 N ATOM 874 CA HIS A 62 -3.155 0.352 4.894 1.00 0.00 C ATOM 875 C HIS A 62 -4.532 0.415 4.204 1.00 0.00 C ATOM 876 O HIS A 62 -5.315 -0.528 4.306 1.00 0.00 O ATOM 877 CB HIS A 62 -3.217 0.824 6.351 1.00 0.00 C ATOM 878 CG HIS A 62 -4.004 -0.071 7.265 1.00 0.00 C ATOM 879 ND1 HIS A 62 -3.440 -1.126 7.952 1.00 0.00 N ATOM 880 CD2 HIS A 62 -5.311 -0.069 7.601 1.00 0.00 C ATOM 881 CE1 HIS A 62 -4.354 -1.734 8.663 1.00 0.00 C ATOM 882 NE2 HIS A 62 -5.504 -1.118 8.471 1.00 0.00 N ATOM 0 H HIS A 62 -1.940 2.017 4.554 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.859 -0.697 4.898 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.200 0.910 6.735 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.653 1.823 6.377 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.063 0.624 7.253 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -4.194 -2.593 9.298 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -6.393 -1.377 8.898 1.00 0.00 H new ATOM 890 N GLY A 63 -4.802 1.485 3.473 1.00 0.00 N ATOM 891 CA GLY A 63 -6.089 1.636 2.802 1.00 0.00 C ATOM 892 C GLY A 63 -6.229 0.712 1.611 1.00 0.00 C ATOM 893 O GLY A 63 -7.297 0.127 1.389 1.00 0.00 O ATOM 0 H GLY A 63 -4.153 2.259 3.328 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.892 1.435 3.511 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.206 2.669 2.473 1.00 0.00 H new ATOM 897 N VAL A 64 -5.142 0.544 0.871 1.00 0.00 N ATOM 898 CA VAL A 64 -5.124 -0.363 -0.290 1.00 0.00 C ATOM 899 C VAL A 64 -5.206 -1.797 0.221 1.00 0.00 C ATOM 900 O VAL A 64 -5.929 -2.644 -0.326 1.00 0.00 O ATOM 901 CB VAL A 64 -3.831 -0.178 -1.139 1.00 0.00 C ATOM 902 CG1 VAL A 64 -3.790 -1.154 -2.318 1.00 0.00 C ATOM 903 CG2 VAL A 64 -3.730 1.258 -1.635 1.00 0.00 C ATOM 0 H VAL A 64 -4.257 1.019 1.046 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.974 -0.134 -0.933 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.975 -0.395 -0.499 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.875 -0.997 -2.889 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.813 -2.178 -1.944 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.653 -0.983 -2.962 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.822 1.375 -2.227 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.598 1.492 -2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.697 1.936 -0.782 1.00 0.00 H new ATOM 913 N MET A 65 -4.538 -1.995 1.337 1.00 0.00 N ATOM 914 CA MET A 65 -4.478 -3.266 2.034 1.00 0.00 C ATOM 915 C MET A 65 -5.882 -3.673 2.466 1.00 0.00 C ATOM 916 O MET A 65 -6.321 -4.793 2.238 1.00 0.00 O ATOM 917 CB MET A 65 -3.582 -3.109 3.248 1.00 0.00 C ATOM 918 CG MET A 65 -3.512 -4.281 4.162 1.00 0.00 C ATOM 919 SD MET A 65 -2.496 -3.885 5.577 1.00 0.00 S ATOM 920 CE MET A 65 -2.747 -5.341 6.518 1.00 0.00 C ATOM 0 H MET A 65 -4.006 -1.257 1.799 1.00 0.00 H new ATOM 0 HA MET A 65 -4.075 -4.039 1.380 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.573 -2.881 2.904 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.926 -2.247 3.820 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.514 -4.559 4.489 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.098 -5.141 3.635 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.183 -5.274 7.449 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.808 -5.450 6.743 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.406 -6.206 5.948 1.00 0.00 H new ATOM 930 N ASN A 66 -6.580 -2.731 3.075 1.00 0.00 N ATOM 931 CA ASN A 66 -7.947 -2.926 3.527 1.00 0.00 C ATOM 932 C ASN A 66 -8.881 -3.170 2.365 1.00 0.00 C ATOM 933 O ASN A 66 -9.777 -4.016 2.460 1.00 0.00 O ATOM 934 CB ASN A 66 -8.421 -1.738 4.366 1.00 0.00 C ATOM 935 CG ASN A 66 -8.148 -1.835 5.828 1.00 0.00 C ATOM 936 OD1 ASN A 66 -8.904 -1.310 6.651 1.00 0.00 O ATOM 937 ND2 ASN A 66 -7.084 -2.465 6.182 1.00 0.00 N ATOM 0 H ASN A 66 -6.211 -1.801 3.272 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.962 -3.815 4.158 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.946 -0.834 3.985 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.495 -1.619 4.222 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.842 -2.543 7.170 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.482 -2.887 5.475 1.00 0.00 H new ATOM 944 N LYS A 67 -8.649 -2.464 1.267 1.00 0.00 N ATOM 945 CA LYS A 67 -9.465 -2.578 0.062 1.00 0.00 C ATOM 946 C LYS A 67 -9.414 -4.001 -0.472 1.00 0.00 C ATOM 947 O LYS A 67 -10.459 -4.661 -0.681 1.00 0.00 O ATOM 948 CB LYS A 67 -8.955 -1.581 -1.000 1.00 0.00 C ATOM 949 CG LYS A 67 -9.781 -1.487 -2.284 1.00 0.00 C ATOM 950 CD LYS A 67 -9.178 -0.442 -3.224 1.00 0.00 C ATOM 951 CE LYS A 67 -10.014 -0.219 -4.489 1.00 0.00 C ATOM 952 NZ LYS A 67 -10.095 -1.415 -5.358 1.00 0.00 N ATOM 0 H LYS A 67 -7.886 -1.792 1.185 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.501 -2.340 0.302 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.910 -0.590 -0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.935 -1.856 -1.267 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.810 -2.458 -2.778 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.810 -1.220 -2.044 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.078 0.503 -2.691 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.174 -0.755 -3.510 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.022 0.081 -4.202 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.586 0.606 -5.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.673 -1.198 -6.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -9.139 -1.690 -5.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.530 -2.199 -4.830 1.00 0.00 H new ATOM 966 N GLU A 68 -8.233 -4.517 -0.614 1.00 0.00 N ATOM 967 CA GLU A 68 -8.124 -5.806 -1.137 1.00 0.00 C ATOM 968 C GLU A 68 -8.487 -6.857 -0.148 1.00 0.00 C ATOM 969 O GLU A 68 -9.176 -7.762 -0.480 1.00 0.00 O ATOM 970 CB GLU A 68 -6.844 -6.025 -1.866 1.00 0.00 C ATOM 971 CG GLU A 68 -5.559 -5.752 -1.125 1.00 0.00 C ATOM 972 CD GLU A 68 -4.428 -5.812 -2.099 1.00 0.00 C ATOM 973 OE1 GLU A 68 -4.361 -4.906 -2.952 1.00 0.00 O ATOM 974 OE2 GLU A 68 -3.666 -6.810 -2.103 1.00 0.00 O ATOM 0 H GLU A 68 -7.354 -4.059 -0.374 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.883 -5.905 -1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -6.823 -7.061 -2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.855 -5.400 -2.759 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.597 -4.772 -0.649 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.416 -6.486 -0.332 1.00 0.00 H new ATOM 981 N LEU A 69 -8.105 -6.712 1.084 1.00 0.00 N ATOM 982 CA LEU A 69 -8.545 -7.679 2.096 1.00 0.00 C ATOM 983 C LEU A 69 -10.077 -7.711 2.258 1.00 0.00 C ATOM 984 O LEU A 69 -10.639 -8.737 2.651 1.00 0.00 O ATOM 985 CB LEU A 69 -7.854 -7.453 3.439 1.00 0.00 C ATOM 986 CG LEU A 69 -6.351 -7.731 3.468 1.00 0.00 C ATOM 987 CD1 LEU A 69 -5.758 -7.351 4.809 1.00 0.00 C ATOM 988 CD2 LEU A 69 -6.075 -9.197 3.168 1.00 0.00 C ATOM 0 H LEU A 69 -7.506 -5.961 1.427 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.243 -8.660 1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.019 -6.419 3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.336 -8.085 4.185 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.879 -7.120 2.698 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.688 -7.558 4.805 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.922 -6.289 4.991 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.237 -7.932 5.597 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.000 -9.377 3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.565 -9.820 3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.462 -9.445 2.180 1.00 0.00 H new ATOM 1000 N LYS A 70 -10.763 -6.622 1.926 1.00 0.00 N ATOM 1001 CA LYS A 70 -12.213 -6.621 2.032 1.00 0.00 C ATOM 1002 C LYS A 70 -12.849 -7.251 0.800 1.00 0.00 C ATOM 1003 O LYS A 70 -13.882 -7.888 0.894 1.00 0.00 O ATOM 1004 CB LYS A 70 -12.767 -5.210 2.338 1.00 0.00 C ATOM 1005 CG LYS A 70 -12.782 -4.247 1.191 1.00 0.00 C ATOM 1006 CD LYS A 70 -12.958 -2.809 1.639 1.00 0.00 C ATOM 1007 CE LYS A 70 -14.213 -2.576 2.495 1.00 0.00 C ATOM 1008 NZ LYS A 70 -15.477 -2.855 1.780 1.00 0.00 N ATOM 0 H LYS A 70 -10.350 -5.752 1.590 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.489 -7.242 2.884 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.785 -5.315 2.712 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.175 -4.776 3.143 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.850 -4.338 0.633 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.590 -4.513 0.509 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.080 -2.505 2.208 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.005 -2.167 0.759 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.160 -3.207 3.382 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.221 -1.542 2.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.204 -2.176 2.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.324 -2.764 0.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.793 -3.822 1.998 1.00 0.00 H new ATOM 1022 N TYR A 71 -12.197 -7.109 -0.352 1.00 0.00 N ATOM 1023 CA TYR A 71 -12.731 -7.661 -1.601 1.00 0.00 C ATOM 1024 C TYR A 71 -12.116 -8.986 -2.038 1.00 0.00 C ATOM 1025 O TYR A 71 -12.687 -9.704 -2.854 1.00 0.00 O ATOM 1026 CB TYR A 71 -12.656 -6.587 -2.696 1.00 0.00 C ATOM 1027 CG TYR A 71 -13.494 -5.391 -2.282 1.00 0.00 C ATOM 1028 CD1 TYR A 71 -14.751 -5.591 -1.724 1.00 0.00 C ATOM 1029 CD2 TYR A 71 -13.023 -4.091 -2.366 1.00 0.00 C ATOM 1030 CE1 TYR A 71 -15.505 -4.556 -1.280 1.00 0.00 C ATOM 1031 CE2 TYR A 71 -13.782 -3.037 -1.912 1.00 0.00 C ATOM 1032 CZ TYR A 71 -15.023 -3.278 -1.369 1.00 0.00 C ATOM 1033 OH TYR A 71 -15.777 -2.236 -0.887 1.00 0.00 O ATOM 0 H TYR A 71 -11.306 -6.622 -0.450 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.772 -7.925 -1.413 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.621 -6.284 -2.854 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -13.018 -6.990 -3.642 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -15.137 -6.596 -1.642 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.049 -3.903 -2.793 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -16.482 -4.739 -0.858 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -13.406 -2.027 -1.981 1.00 0.00 H new ATOM 0 HH TYR A 71 -15.296 -1.393 -1.023 1.00 0.00 H new ATOM 1043 N CYS A 72 -10.993 -9.316 -1.483 1.00 0.00 N ATOM 1044 CA CYS A 72 -10.315 -10.582 -1.743 1.00 0.00 C ATOM 1045 C CYS A 72 -10.619 -11.542 -0.622 1.00 0.00 C ATOM 1046 O CYS A 72 -10.638 -12.756 -0.808 1.00 0.00 O ATOM 1047 CB CYS A 72 -8.805 -10.360 -1.830 1.00 0.00 C ATOM 1048 SG CYS A 72 -8.281 -9.359 -3.241 1.00 0.00 S ATOM 0 H CYS A 72 -10.499 -8.715 -0.823 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.667 -10.993 -2.689 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.467 -9.879 -0.912 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.309 -11.329 -1.883 1.00 0.00 H new ATOM 0 HG CYS A 72 -7.594 -10.095 -4.063 1.00 0.00 H new ATOM 1054 N LYS A 73 -10.859 -10.962 0.559 1.00 0.00 N ATOM 1055 CA LYS A 73 -11.206 -11.655 1.804 1.00 0.00 C ATOM 1056 C LYS A 73 -10.042 -12.444 2.384 1.00 0.00 C ATOM 1057 O LYS A 73 -9.738 -12.332 3.572 1.00 0.00 O ATOM 1058 CB LYS A 73 -12.495 -12.504 1.715 1.00 0.00 C ATOM 1059 CG LYS A 73 -13.781 -11.699 1.443 1.00 0.00 C ATOM 1060 CD LYS A 73 -13.946 -11.272 -0.018 1.00 0.00 C ATOM 1061 CE LYS A 73 -14.107 -12.462 -0.965 1.00 0.00 C ATOM 1062 NZ LYS A 73 -15.252 -13.312 -0.602 1.00 0.00 N ATOM 0 H LYS A 73 -10.814 -9.950 0.678 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.432 -10.855 2.509 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.372 -13.244 0.924 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.617 -13.053 2.649 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.643 -12.299 1.736 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.782 -10.810 2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.816 -10.622 -0.106 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.078 -10.686 -0.321 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.236 -12.098 -1.984 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.195 -13.059 -0.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.447 -13.980 -1.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.030 -13.841 0.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.089 -12.716 -0.440 1.00 0.00 H new ATOM 1076 N ASN A 74 -9.386 -13.199 1.561 1.00 0.00 N ATOM 1077 CA ASN A 74 -8.254 -13.977 1.987 1.00 0.00 C ATOM 1078 C ASN A 74 -6.984 -13.430 1.403 1.00 0.00 C ATOM 1079 O ASN A 74 -6.900 -13.159 0.207 1.00 0.00 O ATOM 1080 CB ASN A 74 -8.414 -15.472 1.688 1.00 0.00 C ATOM 1081 CG ASN A 74 -9.338 -16.164 2.672 1.00 0.00 C ATOM 1082 OD1 ASN A 74 -8.893 -16.669 3.698 1.00 0.00 O ATOM 1083 ND2 ASN A 74 -10.608 -16.209 2.370 1.00 0.00 N ATOM 0 H ASN A 74 -9.616 -13.297 0.572 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.198 -13.891 3.072 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.804 -15.598 0.678 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -7.435 -15.952 1.714 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.265 -16.675 2.996 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.943 -15.778 1.508 1.00 0.00 H new ATOM 1090 N PRO A 75 -5.972 -13.243 2.245 1.00 0.00 N ATOM 1091 CA PRO A 75 -4.674 -12.669 1.848 1.00 0.00 C ATOM 1092 C PRO A 75 -3.793 -13.536 0.978 1.00 0.00 C ATOM 1093 O PRO A 75 -2.648 -13.207 0.723 1.00 0.00 O ATOM 1094 CB PRO A 75 -3.960 -12.471 3.115 1.00 0.00 C ATOM 1095 CG PRO A 75 -4.618 -13.375 4.115 1.00 0.00 C ATOM 1096 CD PRO A 75 -6.029 -13.505 3.698 1.00 0.00 C ATOM 0 HA PRO A 75 -4.876 -11.780 1.250 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.903 -12.714 3.008 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.017 -11.431 3.435 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.129 -14.349 4.138 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.547 -12.959 5.120 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.424 -14.498 3.914 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -6.669 -12.789 4.212 1.00 0.00 H new ATOM 1104 N GLU A 76 -4.326 -14.597 0.508 1.00 0.00 N ATOM 1105 CA GLU A 76 -3.641 -15.487 -0.398 1.00 0.00 C ATOM 1106 C GLU A 76 -3.605 -14.821 -1.792 1.00 0.00 C ATOM 1107 O GLU A 76 -3.021 -15.332 -2.752 1.00 0.00 O ATOM 1108 CB GLU A 76 -4.368 -16.841 -0.434 1.00 0.00 C ATOM 1109 CG GLU A 76 -3.614 -17.958 -1.139 1.00 0.00 C ATOM 1110 CD GLU A 76 -4.374 -19.261 -1.130 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -4.495 -19.880 -0.058 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -4.856 -19.698 -2.202 1.00 0.00 O ATOM 0 H GLU A 76 -5.274 -14.895 0.737 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.618 -15.672 -0.069 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.574 -17.153 0.590 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.331 -16.706 -0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.415 -17.664 -2.170 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -2.647 -18.101 -0.656 1.00 0.00 H new ATOM 1119 N ASP A 77 -4.220 -13.656 -1.849 1.00 0.00 N ATOM 1120 CA ASP A 77 -4.324 -12.862 -3.058 1.00 0.00 C ATOM 1121 C ASP A 77 -3.747 -11.470 -2.783 1.00 0.00 C ATOM 1122 O ASP A 77 -3.636 -10.634 -3.673 1.00 0.00 O ATOM 1123 CB ASP A 77 -5.805 -12.760 -3.475 1.00 0.00 C ATOM 1124 CG ASP A 77 -6.007 -12.134 -4.842 1.00 0.00 C ATOM 1125 OD1 ASP A 77 -5.666 -12.784 -5.857 1.00 0.00 O ATOM 1126 OD2 ASP A 77 -6.541 -11.007 -4.936 1.00 0.00 O ATOM 0 H ASP A 77 -4.670 -13.226 -1.041 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.765 -13.329 -3.869 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.244 -13.757 -3.472 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.344 -12.172 -2.732 1.00 0.00 H new ATOM 1131 N LEU A 78 -3.305 -11.276 -1.548 1.00 0.00 N ATOM 1132 CA LEU A 78 -2.788 -10.041 -1.062 1.00 0.00 C ATOM 1133 C LEU A 78 -1.314 -10.018 -1.356 1.00 0.00 C ATOM 1134 O LEU A 78 -0.520 -10.727 -0.730 1.00 0.00 O ATOM 1135 CB LEU A 78 -2.991 -10.009 0.426 1.00 0.00 C ATOM 1136 CG LEU A 78 -2.441 -8.830 1.167 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -3.368 -7.651 1.125 1.00 0.00 C ATOM 1138 CD2 LEU A 78 -2.102 -9.188 2.566 1.00 0.00 C ATOM 0 H LEU A 78 -3.304 -12.014 -0.844 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.283 -9.189 -1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.062 -10.061 0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.546 -10.910 0.847 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.524 -8.535 0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -2.926 -6.821 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.531 -7.353 0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.321 -7.921 1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.705 -8.312 3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -2.998 -9.535 3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.353 -9.980 2.568 1.00 0.00 H new ATOM 1150 N GLU A 79 -0.973 -9.287 -2.321 1.00 0.00 N ATOM 1151 CA GLU A 79 0.343 -9.186 -2.788 1.00 0.00 C ATOM 1152 C GLU A 79 0.540 -7.802 -3.313 1.00 0.00 C ATOM 1153 O GLU A 79 -0.371 -7.238 -3.872 1.00 0.00 O ATOM 1154 CB GLU A 79 0.455 -10.138 -3.929 1.00 0.00 C ATOM 1155 CG GLU A 79 1.773 -10.182 -4.583 1.00 0.00 C ATOM 1156 CD GLU A 79 2.858 -10.631 -3.636 1.00 0.00 C ATOM 1157 OE1 GLU A 79 2.938 -11.834 -3.328 1.00 0.00 O ATOM 1158 OE2 GLU A 79 3.640 -9.777 -3.182 1.00 0.00 O ATOM 0 H GLU A 79 -1.634 -8.709 -2.840 1.00 0.00 H new ATOM 0 HA GLU A 79 1.073 -9.401 -2.008 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.211 -11.138 -3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.294 -9.875 -4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.732 -10.860 -5.436 1.00 0.00 H new ATOM 0 HG3 GLU A 79 2.018 -9.194 -4.973 1.00 0.00 H new ATOM 1165 N CYS A 80 1.727 -7.284 -3.182 1.00 0.00 N ATOM 1166 CA CYS A 80 2.072 -6.003 -3.743 1.00 0.00 C ATOM 1167 C CYS A 80 2.380 -6.229 -5.190 1.00 0.00 C ATOM 1168 O CYS A 80 3.529 -6.229 -5.626 1.00 0.00 O ATOM 1169 CB CYS A 80 3.269 -5.364 -2.995 1.00 0.00 C ATOM 1170 SG CYS A 80 3.990 -3.884 -3.761 1.00 0.00 S ATOM 0 H CYS A 80 2.490 -7.739 -2.680 1.00 0.00 H new ATOM 0 HA CYS A 80 1.245 -5.300 -3.637 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.945 -5.106 -1.987 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.052 -6.115 -2.896 1.00 0.00 H new ATOM 0 HG CYS A 80 3.172 -2.883 -3.625 1.00 0.00 H new ATOM 1176 N ASN A 81 1.365 -6.520 -5.930 1.00 0.00 N ATOM 1177 CA ASN A 81 1.587 -6.854 -7.292 1.00 0.00 C ATOM 1178 C ASN A 81 1.283 -5.671 -8.137 1.00 0.00 C ATOM 1179 O ASN A 81 0.870 -4.653 -7.648 1.00 0.00 O ATOM 1180 CB ASN A 81 0.769 -8.030 -7.763 1.00 0.00 C ATOM 1181 CG ASN A 81 -0.704 -7.684 -7.855 1.00 0.00 C ATOM 1182 OD1 ASN A 81 -1.136 -7.122 -8.755 1.00 0.00 O ATOM 1183 ND2 ASN A 81 -1.428 -7.998 -6.937 1.00 0.00 N ATOM 0 H ASN A 81 0.393 -6.533 -5.622 1.00 0.00 H new ATOM 0 HA ASN A 81 2.633 -7.146 -7.382 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.128 -8.356 -8.739 1.00 0.00 H new ATOM 0 HB3 ASN A 81 0.905 -8.866 -7.077 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.420 -7.762 -6.966 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.046 -8.498 -6.134 1.00 0.00 H new ATOM 1190 N GLU A 82 1.457 -5.861 -9.386 1.00 0.00 N ATOM 1191 CA GLU A 82 1.208 -4.917 -10.440 1.00 0.00 C ATOM 1192 C GLU A 82 -0.166 -4.265 -10.364 1.00 0.00 C ATOM 1193 O GLU A 82 -0.275 -3.055 -10.403 1.00 0.00 O ATOM 1194 CB GLU A 82 1.351 -5.660 -11.708 1.00 0.00 C ATOM 1195 CG GLU A 82 2.800 -5.846 -12.148 1.00 0.00 C ATOM 1196 CD GLU A 82 3.677 -6.546 -11.127 1.00 0.00 C ATOM 1197 OE1 GLU A 82 3.368 -7.689 -10.736 1.00 0.00 O ATOM 1198 OE2 GLU A 82 4.644 -5.923 -10.641 1.00 0.00 O ATOM 0 H GLU A 82 1.806 -6.750 -9.744 1.00 0.00 H new ATOM 0 HA GLU A 82 1.918 -4.094 -10.356 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.885 -6.639 -11.600 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.807 -5.133 -12.492 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.815 -6.418 -13.076 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.229 -4.869 -12.369 1.00 0.00 H new ATOM 1205 N ASN A 83 -1.181 -5.086 -10.269 1.00 0.00 N ATOM 1206 CA ASN A 83 -2.571 -4.675 -10.084 1.00 0.00 C ATOM 1207 C ASN A 83 -2.654 -3.800 -8.886 1.00 0.00 C ATOM 1208 O ASN A 83 -3.193 -2.686 -8.949 1.00 0.00 O ATOM 1209 CB ASN A 83 -3.469 -5.917 -9.846 1.00 0.00 C ATOM 1210 CG ASN A 83 -4.922 -5.573 -9.529 1.00 0.00 C ATOM 1211 OD1 ASN A 83 -5.731 -5.344 -10.431 1.00 0.00 O ATOM 1212 ND2 ASN A 83 -5.284 -5.589 -8.265 1.00 0.00 N ATOM 0 H ASN A 83 -1.070 -6.099 -10.319 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.910 -4.147 -10.976 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.440 -6.550 -10.733 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.056 -6.501 -9.024 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.255 -5.409 -8.010 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.594 -5.781 -7.539 1.00 0.00 H new ATOM 1219 N VAL A 84 -2.071 -4.284 -7.790 1.00 0.00 N ATOM 1220 CA VAL A 84 -2.099 -3.526 -6.542 1.00 0.00 C ATOM 1221 C VAL A 84 -1.367 -2.185 -6.705 1.00 0.00 C ATOM 1222 O VAL A 84 -1.910 -1.114 -6.368 1.00 0.00 O ATOM 1223 CB VAL A 84 -1.536 -4.374 -5.389 1.00 0.00 C ATOM 1224 CG1 VAL A 84 -1.423 -3.612 -4.086 1.00 0.00 C ATOM 1225 CG2 VAL A 84 -2.421 -5.548 -5.194 1.00 0.00 C ATOM 0 H VAL A 84 -1.583 -5.179 -7.740 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.132 -3.289 -6.289 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.525 -4.674 -5.665 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.019 -4.268 -3.315 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.759 -2.758 -4.220 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.409 -3.260 -3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.037 -6.162 -4.379 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.427 -5.208 -4.949 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.450 -6.138 -6.110 1.00 0.00 H new ATOM 1235 N LYS A 85 -0.176 -2.249 -7.297 1.00 0.00 N ATOM 1236 CA LYS A 85 0.650 -1.060 -7.561 1.00 0.00 C ATOM 1237 C LYS A 85 -0.114 -0.057 -8.360 1.00 0.00 C ATOM 1238 O LYS A 85 -0.245 1.092 -7.960 1.00 0.00 O ATOM 1239 CB LYS A 85 1.898 -1.446 -8.332 1.00 0.00 C ATOM 1240 CG LYS A 85 2.811 -2.349 -7.572 1.00 0.00 C ATOM 1241 CD LYS A 85 3.920 -2.847 -8.446 1.00 0.00 C ATOM 1242 CE LYS A 85 4.651 -3.946 -7.752 1.00 0.00 C ATOM 1243 NZ LYS A 85 5.700 -4.534 -8.599 1.00 0.00 N ATOM 0 H LYS A 85 0.248 -3.123 -7.609 1.00 0.00 H new ATOM 0 HA LYS A 85 0.928 -0.626 -6.601 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.605 -1.936 -9.260 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.440 -0.541 -8.607 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.228 -1.816 -6.717 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.247 -3.194 -7.177 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.517 -3.206 -9.393 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.605 -2.032 -8.680 1.00 0.00 H new ATOM 0 HE2 LYS A 85 5.099 -3.561 -6.836 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.944 -4.723 -7.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.332 -5.118 -8.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.262 -5.126 -9.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.249 -3.774 -9.049 1.00 0.00 H new ATOM 1257 N HIS A 86 -0.671 -0.536 -9.441 1.00 0.00 N ATOM 1258 CA HIS A 86 -1.420 0.265 -10.386 1.00 0.00 C ATOM 1259 C HIS A 86 -2.524 1.024 -9.672 1.00 0.00 C ATOM 1260 O HIS A 86 -2.600 2.259 -9.729 1.00 0.00 O ATOM 1261 CB HIS A 86 -1.996 -0.642 -11.498 1.00 0.00 C ATOM 1262 CG HIS A 86 -2.864 0.050 -12.508 1.00 0.00 C ATOM 1263 ND1 HIS A 86 -2.365 0.782 -13.560 1.00 0.00 N ATOM 1264 CD2 HIS A 86 -4.213 0.109 -12.620 1.00 0.00 C ATOM 1265 CE1 HIS A 86 -3.353 1.263 -14.275 1.00 0.00 C ATOM 1266 NE2 HIS A 86 -4.492 0.869 -13.726 1.00 0.00 N ATOM 0 H HIS A 86 -0.617 -1.521 -9.700 1.00 0.00 H new ATOM 0 HA HIS A 86 -0.755 0.995 -10.847 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -1.167 -1.117 -12.022 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.576 -1.438 -11.030 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -4.933 -0.355 -11.962 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -3.255 1.875 -15.159 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -5.425 1.094 -14.070 1.00 0.00 H new ATOM 1274 N LYS A 87 -3.317 0.293 -8.946 1.00 0.00 N ATOM 1275 CA LYS A 87 -4.468 0.866 -8.262 1.00 0.00 C ATOM 1276 C LYS A 87 -4.046 1.821 -7.192 1.00 0.00 C ATOM 1277 O LYS A 87 -4.729 2.783 -6.919 1.00 0.00 O ATOM 1278 CB LYS A 87 -5.359 -0.209 -7.695 1.00 0.00 C ATOM 1279 CG LYS A 87 -5.981 -1.061 -8.753 1.00 0.00 C ATOM 1280 CD LYS A 87 -6.884 -2.096 -8.166 1.00 0.00 C ATOM 1281 CE LYS A 87 -7.644 -2.799 -9.258 1.00 0.00 C ATOM 1282 NZ LYS A 87 -8.520 -1.862 -9.998 1.00 0.00 N ATOM 0 H LYS A 87 -3.197 -0.710 -8.804 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.041 1.423 -9.003 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.778 -0.839 -7.022 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.145 0.254 -7.098 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.546 -0.433 -9.441 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.199 -1.548 -9.335 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.300 -2.818 -7.596 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.581 -1.629 -7.470 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.942 -3.266 -9.949 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.246 -3.599 -8.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.319 -2.385 -10.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.881 -1.136 -9.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.976 -1.405 -10.758 1.00 0.00 H new ATOM 1296 N THR A 88 -2.908 1.577 -6.661 1.00 0.00 N ATOM 1297 CA THR A 88 -2.396 2.319 -5.610 1.00 0.00 C ATOM 1298 C THR A 88 -1.952 3.654 -6.036 1.00 0.00 C ATOM 1299 O THR A 88 -2.468 4.610 -5.564 1.00 0.00 O ATOM 1300 CB THR A 88 -1.298 1.570 -4.939 1.00 0.00 C ATOM 1301 OG1 THR A 88 -1.881 0.510 -4.209 1.00 0.00 O ATOM 1302 CG2 THR A 88 -0.486 2.471 -4.054 1.00 0.00 C ATOM 0 H THR A 88 -2.296 0.822 -6.970 1.00 0.00 H new ATOM 0 HA THR A 88 -3.200 2.476 -4.891 1.00 0.00 H new ATOM 0 HB THR A 88 -0.608 1.170 -5.682 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.070 -0.238 -4.813 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.308 1.895 -3.578 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.046 3.269 -4.652 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.129 2.904 -3.288 1.00 0.00 H new ATOM 1310 N LYS A 89 -1.028 3.724 -6.942 1.00 0.00 N ATOM 1311 CA LYS A 89 -0.546 4.993 -7.371 1.00 0.00 C ATOM 1312 C LYS A 89 -1.639 5.816 -8.040 1.00 0.00 C ATOM 1313 O LYS A 89 -1.667 7.037 -7.917 1.00 0.00 O ATOM 1314 CB LYS A 89 0.743 4.838 -8.190 1.00 0.00 C ATOM 1315 CG LYS A 89 0.787 3.632 -9.094 1.00 0.00 C ATOM 1316 CD LYS A 89 -0.074 3.750 -10.280 1.00 0.00 C ATOM 1317 CE LYS A 89 0.423 4.857 -11.214 1.00 0.00 C ATOM 1318 NZ LYS A 89 -0.326 4.948 -12.475 1.00 0.00 N ATOM 0 H LYS A 89 -0.596 2.919 -7.396 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.264 5.581 -6.497 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.879 5.733 -8.797 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.588 4.788 -7.503 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.815 3.469 -9.417 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.488 2.752 -8.525 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.094 2.800 -10.815 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.097 3.963 -9.971 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.360 5.813 -10.695 1.00 0.00 H new ATOM 0 HE3 LYS A 89 1.476 4.685 -11.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.263 5.411 -13.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.581 3.993 -12.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.191 5.505 -12.325 1.00 0.00 H new ATOM 1332 N GLU A 90 -2.581 5.118 -8.698 1.00 0.00 N ATOM 1333 CA GLU A 90 -3.783 5.785 -9.234 1.00 0.00 C ATOM 1334 C GLU A 90 -4.633 6.350 -8.088 1.00 0.00 C ATOM 1335 O GLU A 90 -5.100 7.512 -8.138 1.00 0.00 O ATOM 1336 CB GLU A 90 -4.628 4.831 -10.076 1.00 0.00 C ATOM 1337 CG GLU A 90 -3.992 4.425 -11.387 1.00 0.00 C ATOM 1338 CD GLU A 90 -3.752 5.596 -12.286 1.00 0.00 C ATOM 1339 OE1 GLU A 90 -4.669 5.966 -13.049 1.00 0.00 O ATOM 1340 OE2 GLU A 90 -2.640 6.144 -12.272 1.00 0.00 O ATOM 0 H GLU A 90 -2.538 4.113 -8.870 1.00 0.00 H new ATOM 0 HA GLU A 90 -3.447 6.599 -9.876 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.832 3.934 -9.492 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.589 5.302 -10.283 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.046 3.921 -11.189 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.636 3.706 -11.894 1.00 0.00 H new ATOM 1347 N TYR A 91 -4.751 5.569 -7.018 1.00 0.00 N ATOM 1348 CA TYR A 91 -5.529 5.953 -5.857 1.00 0.00 C ATOM 1349 C TYR A 91 -4.858 7.118 -5.197 1.00 0.00 C ATOM 1350 O TYR A 91 -5.499 8.085 -4.883 1.00 0.00 O ATOM 1351 CB TYR A 91 -5.676 4.768 -4.872 1.00 0.00 C ATOM 1352 CG TYR A 91 -5.940 5.159 -3.430 1.00 0.00 C ATOM 1353 CD1 TYR A 91 -7.102 5.807 -3.053 1.00 0.00 C ATOM 1354 CD2 TYR A 91 -4.999 4.875 -2.445 1.00 0.00 C ATOM 1355 CE1 TYR A 91 -7.320 6.164 -1.742 1.00 0.00 C ATOM 1356 CE2 TYR A 91 -5.209 5.225 -1.137 1.00 0.00 C ATOM 1357 CZ TYR A 91 -6.372 5.874 -0.785 1.00 0.00 C ATOM 1358 OH TYR A 91 -6.598 6.232 0.530 1.00 0.00 O ATOM 0 H TYR A 91 -4.308 4.654 -6.937 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.534 6.238 -6.169 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.491 4.130 -5.214 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.766 4.170 -4.909 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.849 6.036 -3.798 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.085 4.369 -2.717 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.232 6.671 -1.464 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.467 4.994 -0.387 1.00 0.00 H new ATOM 0 HH TYR A 91 -5.968 5.757 1.111 1.00 0.00 H new ATOM 1368 N ILE A 92 -3.561 6.994 -5.004 1.00 0.00 N ATOM 1369 CA ILE A 92 -2.717 8.037 -4.435 1.00 0.00 C ATOM 1370 C ILE A 92 -2.919 9.343 -5.138 1.00 0.00 C ATOM 1371 O ILE A 92 -3.202 10.332 -4.490 1.00 0.00 O ATOM 1372 CB ILE A 92 -1.223 7.664 -4.524 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.926 6.390 -3.730 1.00 0.00 C ATOM 1374 CG2 ILE A 92 -0.340 8.835 -4.077 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -0.687 6.581 -2.290 1.00 0.00 C ATOM 0 H ILE A 92 -3.047 6.146 -5.243 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.007 8.134 -3.389 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.984 7.456 -5.567 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.763 5.703 -3.853 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.051 5.908 -4.165 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.709 8.548 -4.149 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.525 9.696 -4.719 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.575 9.095 -3.045 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.487 5.617 -1.823 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.171 7.238 -2.148 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.568 7.030 -1.831 1.00 0.00 H new ATOM 1387 N LYS A 93 -2.771 9.348 -6.452 1.00 0.00 N ATOM 1388 CA LYS A 93 -2.932 10.568 -7.202 1.00 0.00 C ATOM 1389 C LYS A 93 -4.292 11.156 -6.931 1.00 0.00 C ATOM 1390 O LYS A 93 -4.400 12.281 -6.415 1.00 0.00 O ATOM 1391 CB LYS A 93 -2.719 10.351 -8.707 1.00 0.00 C ATOM 1392 CG LYS A 93 -1.307 9.905 -9.068 1.00 0.00 C ATOM 1393 CD LYS A 93 -1.127 9.702 -10.570 1.00 0.00 C ATOM 1394 CE LYS A 93 -1.280 11.004 -11.349 1.00 0.00 C ATOM 1395 NZ LYS A 93 -1.061 10.805 -12.790 1.00 0.00 N ATOM 0 H LYS A 93 -2.542 8.526 -7.011 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.166 11.270 -6.873 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.428 9.603 -9.061 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -2.944 11.278 -9.234 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.593 10.650 -8.717 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.079 8.974 -8.548 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.141 9.279 -10.762 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.859 8.978 -10.928 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.278 11.411 -11.185 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.570 11.740 -10.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -1.173 11.712 -13.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -0.100 10.440 -12.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.755 10.122 -13.155 1.00 0.00 H new ATOM 1409 N LYS A 94 -5.310 10.339 -7.087 1.00 0.00 N ATOM 1410 CA LYS A 94 -6.667 10.829 -6.970 1.00 0.00 C ATOM 1411 C LYS A 94 -6.945 11.280 -5.548 1.00 0.00 C ATOM 1412 O LYS A 94 -7.751 12.187 -5.311 1.00 0.00 O ATOM 1413 CB LYS A 94 -7.688 9.778 -7.412 1.00 0.00 C ATOM 1414 CG LYS A 94 -7.566 9.320 -8.863 1.00 0.00 C ATOM 1415 CD LYS A 94 -7.719 10.466 -9.839 1.00 0.00 C ATOM 1416 CE LYS A 94 -7.790 9.974 -11.281 1.00 0.00 C ATOM 1417 NZ LYS A 94 -8.967 9.107 -11.520 1.00 0.00 N ATOM 0 H LYS A 94 -5.227 9.343 -7.293 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.769 11.685 -7.637 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.592 8.907 -6.764 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.689 10.181 -7.258 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -6.596 8.845 -9.012 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -8.325 8.566 -9.069 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.622 11.028 -9.601 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.879 11.152 -9.730 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.830 10.831 -11.954 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.881 9.423 -11.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.161 9.059 -12.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.773 8.151 -11.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.794 9.501 -11.028 1.00 0.00 H new ATOM 1431 N TYR A 95 -6.286 10.640 -4.611 1.00 0.00 N ATOM 1432 CA TYR A 95 -6.386 10.999 -3.261 1.00 0.00 C ATOM 1433 C TYR A 95 -5.743 12.356 -3.012 1.00 0.00 C ATOM 1434 O TYR A 95 -6.375 13.231 -2.514 1.00 0.00 O ATOM 1435 CB TYR A 95 -5.751 9.918 -2.433 1.00 0.00 C ATOM 1436 CG TYR A 95 -5.580 10.278 -0.998 1.00 0.00 C ATOM 1437 CD1 TYR A 95 -6.653 10.265 -0.101 1.00 0.00 C ATOM 1438 CD2 TYR A 95 -4.347 10.649 -0.531 1.00 0.00 C ATOM 1439 CE1 TYR A 95 -6.465 10.614 1.204 1.00 0.00 C ATOM 1440 CE2 TYR A 95 -4.167 10.999 0.759 1.00 0.00 C ATOM 1441 CZ TYR A 95 -5.227 10.985 1.630 1.00 0.00 C ATOM 1442 OH TYR A 95 -5.037 11.312 2.951 1.00 0.00 O ATOM 0 H TYR A 95 -5.665 9.851 -4.791 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.434 11.095 -2.976 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.360 9.017 -2.501 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.776 9.676 -2.855 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -7.636 9.977 -0.444 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.505 10.661 -1.207 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.294 10.596 1.896 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.187 11.291 1.107 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.803 11.003 3.478 1.00 0.00 H new ATOM 1452 N MET A 96 -4.504 12.523 -3.411 1.00 0.00 N ATOM 1453 CA MET A 96 -3.776 13.762 -3.177 1.00 0.00 C ATOM 1454 C MET A 96 -4.484 14.956 -3.823 1.00 0.00 C ATOM 1455 O MET A 96 -4.322 16.098 -3.374 1.00 0.00 O ATOM 1456 CB MET A 96 -2.354 13.676 -3.665 1.00 0.00 C ATOM 1457 CG MET A 96 -1.563 12.480 -3.157 1.00 0.00 C ATOM 1458 SD MET A 96 -1.459 12.403 -1.380 1.00 0.00 S ATOM 1459 CE MET A 96 -0.711 13.974 -1.061 1.00 0.00 C ATOM 0 H MET A 96 -3.968 11.810 -3.906 1.00 0.00 H new ATOM 0 HA MET A 96 -3.754 13.915 -2.098 1.00 0.00 H new ATOM 0 HB2 MET A 96 -2.362 13.649 -4.755 1.00 0.00 H new ATOM 0 HB3 MET A 96 -1.831 14.587 -3.373 1.00 0.00 H new ATOM 0 HG2 MET A 96 -2.025 11.565 -3.526 1.00 0.00 H new ATOM 0 HG3 MET A 96 -0.555 12.518 -3.571 1.00 0.00 H new ATOM 0 HE1 MET A 96 -0.235 13.958 -0.081 1.00 0.00 H new ATOM 0 HE2 MET A 96 0.038 14.182 -1.825 1.00 0.00 H new ATOM 0 HE3 MET A 96 -1.475 14.751 -1.081 1.00 0.00 H new ATOM 1469 N GLN A 97 -5.301 14.684 -4.845 1.00 0.00 N ATOM 1470 CA GLN A 97 -6.035 15.754 -5.528 1.00 0.00 C ATOM 1471 C GLN A 97 -7.031 16.455 -4.593 1.00 0.00 C ATOM 1472 O GLN A 97 -7.457 17.582 -4.858 1.00 0.00 O ATOM 1473 CB GLN A 97 -6.767 15.259 -6.782 1.00 0.00 C ATOM 1474 CG GLN A 97 -5.914 14.456 -7.746 1.00 0.00 C ATOM 1475 CD GLN A 97 -4.554 15.066 -7.996 1.00 0.00 C ATOM 1476 OE1 GLN A 97 -4.378 15.886 -8.888 1.00 0.00 O ATOM 1477 NE2 GLN A 97 -3.577 14.610 -7.236 1.00 0.00 N ATOM 0 H GLN A 97 -5.470 13.748 -5.213 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.279 16.475 -5.839 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.614 14.646 -6.472 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -7.174 16.121 -7.311 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.785 13.448 -7.352 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.442 14.362 -8.695 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.776 13.927 -6.505 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -2.623 14.941 -7.379 1.00 0.00 H new ATOM 1486 N LYS A 98 -7.383 15.800 -3.505 1.00 0.00 N ATOM 1487 CA LYS A 98 -8.357 16.346 -2.575 1.00 0.00 C ATOM 1488 C LYS A 98 -7.735 17.377 -1.630 1.00 0.00 C ATOM 1489 O LYS A 98 -8.439 18.181 -1.033 1.00 0.00 O ATOM 1490 CB LYS A 98 -9.040 15.206 -1.797 1.00 0.00 C ATOM 1491 CG LYS A 98 -8.170 14.498 -0.762 1.00 0.00 C ATOM 1492 CD LYS A 98 -8.253 15.123 0.616 1.00 0.00 C ATOM 1493 CE LYS A 98 -9.627 14.965 1.208 1.00 0.00 C ATOM 1494 NZ LYS A 98 -9.970 13.545 1.403 1.00 0.00 N ATOM 0 H LYS A 98 -7.010 14.888 -3.241 1.00 0.00 H new ATOM 0 HA LYS A 98 -9.115 16.876 -3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.917 15.610 -1.292 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.397 14.465 -2.513 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.471 13.452 -0.698 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.133 14.511 -1.098 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.517 14.659 1.273 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.002 16.182 0.553 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.675 15.487 2.164 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.363 15.432 0.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -10.762 13.468 2.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.246 13.126 0.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.145 13.037 1.782 1.00 0.00 H new ATOM 1508 N PHE A 99 -6.422 17.330 -1.470 1.00 0.00 N ATOM 1509 CA PHE A 99 -5.757 18.279 -0.586 1.00 0.00 C ATOM 1510 C PHE A 99 -5.559 19.611 -1.273 1.00 0.00 C ATOM 1511 O PHE A 99 -5.625 20.670 -0.642 1.00 0.00 O ATOM 1512 CB PHE A 99 -4.419 17.746 -0.058 1.00 0.00 C ATOM 1513 CG PHE A 99 -4.538 16.537 0.817 1.00 0.00 C ATOM 1514 CD1 PHE A 99 -5.236 16.608 2.010 1.00 0.00 C ATOM 1515 CD2 PHE A 99 -3.944 15.334 0.460 1.00 0.00 C ATOM 1516 CE1 PHE A 99 -5.356 15.506 2.822 1.00 0.00 C ATOM 1517 CE2 PHE A 99 -4.052 14.227 1.284 1.00 0.00 C ATOM 1518 CZ PHE A 99 -4.766 14.325 2.462 1.00 0.00 C ATOM 0 H PHE A 99 -5.805 16.660 -1.929 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.413 18.420 0.273 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.778 17.504 -0.906 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.922 18.538 0.502 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.692 17.541 2.306 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.394 15.261 -0.467 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.915 15.572 3.743 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.582 13.295 1.008 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.860 13.462 3.105 1.00 0.00 H new ATOM 1528 N GLY A 100 -5.327 19.562 -2.551 1.00 0.00 N ATOM 1529 CA GLY A 100 -5.123 20.743 -3.298 1.00 0.00 C ATOM 1530 C GLY A 100 -3.670 20.924 -3.541 1.00 0.00 C ATOM 1531 O GLY A 100 -3.011 20.017 -4.003 1.00 0.00 O ATOM 0 H GLY A 100 -5.276 18.700 -3.093 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.658 20.684 -4.246 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.523 21.602 -2.759 1.00 0.00 H new ATOM 1535 N ALA A 101 -3.163 22.040 -3.169 1.00 0.00 N ATOM 1536 CA ALA A 101 -1.767 22.344 -3.376 1.00 0.00 C ATOM 1537 C ALA A 101 -0.882 21.685 -2.326 1.00 0.00 C ATOM 1538 O ALA A 101 0.175 21.140 -2.648 1.00 0.00 O ATOM 1539 CB ALA A 101 -1.553 23.838 -3.381 1.00 0.00 C ATOM 0 H ALA A 101 -3.692 22.781 -2.710 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.481 21.938 -4.347 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.496 24.054 -3.538 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.138 24.287 -4.184 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.870 24.254 -2.425 1.00 0.00 H new ATOM 1545 N VAL A 102 -1.309 21.703 -1.083 1.00 0.00 N ATOM 1546 CA VAL A 102 -0.483 21.179 -0.006 1.00 0.00 C ATOM 1547 C VAL A 102 -1.263 20.089 0.700 1.00 0.00 C ATOM 1548 O VAL A 102 -2.494 20.073 0.663 1.00 0.00 O ATOM 1549 CB VAL A 102 -0.088 22.268 1.024 1.00 0.00 C ATOM 1550 CG1 VAL A 102 1.164 21.908 1.783 1.00 0.00 C ATOM 1551 CG2 VAL A 102 0.020 23.636 0.400 1.00 0.00 C ATOM 0 H VAL A 102 -2.214 22.070 -0.789 1.00 0.00 H new ATOM 0 HA VAL A 102 0.440 20.796 -0.441 1.00 0.00 H new ATOM 0 HB VAL A 102 -0.902 22.311 1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.400 22.701 2.492 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.007 20.974 2.322 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.992 21.788 1.084 1.00 0.00 H new ATOM 0 HG21 VAL A 102 0.299 24.363 1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.780 23.621 -0.381 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -0.940 23.915 -0.033 1.00 0.00 H new ATOM 1561 N TYR A 103 -0.557 19.206 1.327 1.00 0.00 N ATOM 1562 CA TYR A 103 -1.121 18.111 2.020 1.00 0.00 C ATOM 1563 C TYR A 103 -1.498 18.518 3.424 1.00 0.00 C ATOM 1564 O TYR A 103 -0.649 18.670 4.310 1.00 0.00 O ATOM 1565 CB TYR A 103 -0.167 16.899 1.983 1.00 0.00 C ATOM 1566 CG TYR A 103 -0.459 15.813 2.994 1.00 0.00 C ATOM 1567 CD1 TYR A 103 -1.731 15.370 3.215 1.00 0.00 C ATOM 1568 CD2 TYR A 103 0.555 15.258 3.735 1.00 0.00 C ATOM 1569 CE1 TYR A 103 -2.007 14.415 4.152 1.00 0.00 C ATOM 1570 CE2 TYR A 103 0.303 14.285 4.669 1.00 0.00 C ATOM 1571 CZ TYR A 103 -0.979 13.872 4.880 1.00 0.00 C ATOM 1572 OH TYR A 103 -1.236 12.926 5.846 1.00 0.00 O ATOM 0 H TYR A 103 0.462 19.234 1.368 1.00 0.00 H new ATOM 0 HA TYR A 103 -2.040 17.801 1.522 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.201 16.462 0.985 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.851 17.255 2.141 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -2.541 15.786 2.634 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.570 15.594 3.580 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -3.024 14.091 4.318 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.114 13.849 5.233 1.00 0.00 H new ATOM 0 HH TYR A 103 -0.394 12.648 6.264 1.00 0.00 H new ATOM 1582 N LYS A 104 -2.755 18.753 3.584 1.00 0.00 N ATOM 1583 CA LYS A 104 -3.343 19.053 4.855 1.00 0.00 C ATOM 1584 C LYS A 104 -4.285 17.909 5.259 1.00 0.00 C ATOM 1585 O LYS A 104 -5.443 17.905 4.875 1.00 0.00 O ATOM 1586 CB LYS A 104 -4.104 20.382 4.774 1.00 0.00 C ATOM 1587 CG LYS A 104 -3.202 21.610 4.605 1.00 0.00 C ATOM 1588 CD LYS A 104 -3.997 22.910 4.439 1.00 0.00 C ATOM 1589 CE LYS A 104 -4.819 22.910 3.155 1.00 0.00 C ATOM 1590 NZ LYS A 104 -5.547 24.183 2.940 1.00 0.00 N ATOM 0 H LYS A 104 -3.426 18.743 2.816 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.563 19.151 5.610 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.801 20.339 3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.699 20.503 5.679 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.548 21.697 5.473 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.561 21.468 3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.659 23.043 5.295 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.311 23.757 4.432 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.160 22.726 2.307 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.534 22.088 3.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.089 24.128 2.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.198 24.349 3.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -4.866 24.967 2.881 1.00 0.00 H new ATOM 1604 N PRO A 105 -3.782 16.891 6.000 1.00 0.00 N ATOM 1605 CA PRO A 105 -4.575 15.695 6.398 1.00 0.00 C ATOM 1606 C PRO A 105 -5.784 16.051 7.255 1.00 0.00 C ATOM 1607 O PRO A 105 -6.734 15.292 7.354 1.00 0.00 O ATOM 1608 CB PRO A 105 -3.599 14.846 7.199 1.00 0.00 C ATOM 1609 CG PRO A 105 -2.498 15.769 7.567 1.00 0.00 C ATOM 1610 CD PRO A 105 -2.411 16.812 6.497 1.00 0.00 C ATOM 0 HA PRO A 105 -4.980 15.186 5.524 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -4.076 14.427 8.085 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -3.230 14.007 6.609 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -2.691 16.229 8.536 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.556 15.228 7.653 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -2.070 17.769 6.893 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.713 16.526 5.710 1.00 0.00 H new