USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=30 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+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 71 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 62 HIS : no HD1:sc= 0.0447 K(o=1.2,f=-0.01) USER MOD Set 2.2: A 66 ASN : amide:sc= 1.17 K(o=1.2,f=-0.0051) USER MOD Set 3.1: A 48 THR OG1 : rot 180:sc= -0.047 USER MOD Set 3.2: A 49 THR OG1 : rot 100:sc= 1.26 USER MOD Set 4.1: A 26 MET CE :methyl -112:sc= -5.21! (180deg=-3.6!) USER MOD Set 4.2: A 80 CYS SG : rot -120:sc= -1.53 USER MOD Set 4.3: A 88 THR OG1 : rot 76:sc= -0.444 USER MOD Single : A 17 LYS NZ :NH3+ -171:sc=-0.00672 (180deg=-0.0999) 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+ 133:sc= -0.0366 (180deg=-0.396) USER MOD Single : A 27 SER OG : rot -95:sc= 0.888 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.805 F(o=-2.9!,f=-0.8) USER MOD Single : A 32 GLN : amide:sc= 0.227 X(o=0.23,f=-0.029) USER MOD Single : A 33 CYS SG : rot 72:sc= -0.162 USER MOD Single : A 35 ASN : amide:sc= 1.4 K(o=1.4,f=-4.1!) USER MOD Single : A 37 TYR OH : rot -70:sc= -0.333 USER MOD Single : A 39 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.112) USER MOD Single : A 42 CYS SG : rot -87:sc= -3.58! USER MOD Single : A 43 LYS NZ :NH3+ -117:sc= 1.2 (180deg=-0.00202) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -0.165 K(o=-0.16,f=-0.76) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot 100:sc= 0.317 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -162:sc= -0.0811 (180deg=-0.368) USER MOD Single : A 72 CYS SG : rot 180:sc= -0.116 USER MOD Single : A 73 LYS NZ :NH3+ 165:sc= -0.0466 (180deg=-0.24) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 ASN : amide:sc= -4.97! C(o=-5!,f=-17!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 85 LYS NZ :NH3+ 179:sc= 1.29 (180deg=1.27) USER MOD Single : A 86 HIS : no HD1:sc= -0.0468 X(o=-0.047,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -165:sc= -0.0142 (180deg=-0.206) USER MOD Single : A 89 LYS NZ :NH3+ -177:sc= 1.17 (180deg=1.09) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 163:sc= -0.0374 (180deg=-0.272) USER MOD Single : A 95 TYR OH : rot 100:sc= -0.243 USER MOD Single : A 96 MET CE :methyl -160:sc= -0.203 (180deg=-1.37) USER MOD Single : A 97 GLN : amide:sc= -0.0147 K(o=-0.015,f=-4.3!) USER MOD Single : A 98 LYS NZ :NH3+ 151:sc= -3.03! (180deg=-4.67!) USER MOD Single : A 103 TYR OH : rot 180:sc= -0.245 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N LYS A 17 2.814 -13.793 7.174 1.00 0.00 N ATOM 104 CA LYS A 17 4.069 -13.347 6.630 1.00 0.00 C ATOM 105 C LYS A 17 3.790 -12.452 5.422 1.00 0.00 C ATOM 106 O LYS A 17 4.339 -11.363 5.309 1.00 0.00 O ATOM 107 CB LYS A 17 4.998 -14.520 6.213 1.00 0.00 C ATOM 108 CG LYS A 17 5.428 -15.492 7.325 1.00 0.00 C ATOM 109 CD LYS A 17 4.268 -16.334 7.835 1.00 0.00 C ATOM 110 CE LYS A 17 4.683 -17.308 8.911 1.00 0.00 C ATOM 111 NZ LYS A 17 5.625 -18.322 8.414 1.00 0.00 N ATOM 0 HA LYS A 17 4.593 -12.796 7.411 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.493 -15.094 5.436 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.897 -14.098 5.764 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.212 -16.148 6.948 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.856 -14.927 8.153 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.492 -15.676 8.226 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.830 -16.884 7.002 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.142 -16.762 9.735 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.798 -17.803 9.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.763 -19.054 9.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.242 -18.758 7.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.538 -17.872 8.199 1.00 0.00 H new ATOM 125 N SER A 18 2.893 -12.900 4.548 1.00 0.00 N ATOM 126 CA SER A 18 2.612 -12.201 3.305 1.00 0.00 C ATOM 127 C SER A 18 2.045 -10.792 3.507 1.00 0.00 C ATOM 128 O SER A 18 2.319 -9.938 2.720 1.00 0.00 O ATOM 129 CB SER A 18 1.713 -13.023 2.415 1.00 0.00 C ATOM 130 OG SER A 18 2.222 -14.334 2.288 1.00 0.00 O ATOM 0 H SER A 18 2.346 -13.751 4.683 1.00 0.00 H new ATOM 0 HA SER A 18 3.574 -12.069 2.810 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.706 -13.054 2.832 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.637 -12.557 1.432 1.00 0.00 H new ATOM 0 HG SER A 18 1.631 -14.860 1.710 1.00 0.00 H new ATOM 136 N LYS A 19 1.272 -10.550 4.575 1.00 0.00 N ATOM 137 CA LYS A 19 0.737 -9.207 4.834 1.00 0.00 C ATOM 138 C LYS A 19 1.859 -8.282 5.162 1.00 0.00 C ATOM 139 O LYS A 19 1.823 -7.144 4.795 1.00 0.00 O ATOM 140 CB LYS A 19 -0.311 -9.159 5.969 1.00 0.00 C ATOM 141 CG LYS A 19 -1.482 -10.129 5.830 1.00 0.00 C ATOM 142 CD LYS A 19 -2.711 -9.679 6.628 1.00 0.00 C ATOM 143 CE LYS A 19 -2.416 -9.427 8.099 1.00 0.00 C ATOM 144 NZ LYS A 19 -2.004 -10.644 8.825 1.00 0.00 N ATOM 0 H LYS A 19 1.007 -11.254 5.263 1.00 0.00 H new ATOM 0 HA LYS A 19 0.223 -8.899 3.923 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.194 -9.361 6.914 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.708 -8.146 6.030 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.750 -10.223 4.778 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.174 -11.118 6.170 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.110 -8.767 6.184 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.487 -10.440 6.546 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.629 -8.678 8.182 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.304 -9.011 8.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.817 -10.408 9.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.763 -11.353 8.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.140 -11.030 8.393 1.00 0.00 H new ATOM 158 N GLU A 20 2.883 -8.812 5.796 1.00 0.00 N ATOM 159 CA GLU A 20 4.048 -8.037 6.179 1.00 0.00 C ATOM 160 C GLU A 20 4.867 -7.750 4.984 1.00 0.00 C ATOM 161 O GLU A 20 5.238 -6.615 4.753 1.00 0.00 O ATOM 162 CB GLU A 20 4.849 -8.784 7.198 1.00 0.00 C ATOM 163 CG GLU A 20 4.039 -9.050 8.400 1.00 0.00 C ATOM 164 CD GLU A 20 3.742 -7.787 9.172 1.00 0.00 C ATOM 165 OE1 GLU A 20 2.744 -7.104 8.872 1.00 0.00 O ATOM 166 OE2 GLU A 20 4.505 -7.443 10.098 1.00 0.00 O ATOM 0 H GLU A 20 2.933 -9.795 6.062 1.00 0.00 H new ATOM 0 HA GLU A 20 3.725 -7.094 6.620 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.201 -9.725 6.774 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.733 -8.206 7.469 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.103 -9.525 8.108 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.566 -9.753 9.044 1.00 0.00 H new ATOM 173 N VAL A 21 5.088 -8.773 4.190 1.00 0.00 N ATOM 174 CA VAL A 21 5.818 -8.633 2.961 1.00 0.00 C ATOM 175 C VAL A 21 5.070 -7.651 2.081 1.00 0.00 C ATOM 176 O VAL A 21 5.648 -6.705 1.583 1.00 0.00 O ATOM 177 CB VAL A 21 5.983 -9.995 2.233 1.00 0.00 C ATOM 178 CG1 VAL A 21 6.711 -9.828 0.909 1.00 0.00 C ATOM 179 CG2 VAL A 21 6.727 -10.983 3.117 1.00 0.00 C ATOM 0 H VAL A 21 4.766 -9.722 4.382 1.00 0.00 H new ATOM 0 HA VAL A 21 6.822 -8.267 3.178 1.00 0.00 H new ATOM 0 HB VAL A 21 4.986 -10.385 2.026 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.811 -10.799 0.424 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.144 -9.157 0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.701 -9.409 1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.834 -11.932 2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.714 -10.587 3.355 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.167 -11.140 4.039 1.00 0.00 H new ATOM 189 N PHE A 22 3.761 -7.801 2.049 1.00 0.00 N ATOM 190 CA PHE A 22 2.901 -6.964 1.222 1.00 0.00 C ATOM 191 C PHE A 22 2.959 -5.530 1.676 1.00 0.00 C ATOM 192 O PHE A 22 3.260 -4.629 0.880 1.00 0.00 O ATOM 193 CB PHE A 22 1.443 -7.475 1.249 1.00 0.00 C ATOM 194 CG PHE A 22 0.420 -6.429 0.889 1.00 0.00 C ATOM 195 CD1 PHE A 22 0.384 -5.866 -0.366 1.00 0.00 C ATOM 196 CD2 PHE A 22 -0.480 -5.990 1.831 1.00 0.00 C ATOM 197 CE1 PHE A 22 -0.536 -4.880 -0.672 1.00 0.00 C ATOM 198 CE2 PHE A 22 -1.392 -5.024 1.531 1.00 0.00 C ATOM 199 CZ PHE A 22 -1.430 -4.461 0.290 1.00 0.00 C ATOM 0 H PHE A 22 3.260 -8.504 2.593 1.00 0.00 H new ATOM 0 HA PHE A 22 3.265 -7.019 0.196 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.350 -8.313 0.558 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.221 -7.857 2.245 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.082 -6.198 -1.120 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.464 -6.417 2.823 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.554 -4.441 -1.659 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.094 -4.700 2.285 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.155 -3.693 0.062 1.00 0.00 H new ATOM 209 N ARG A 23 2.692 -5.318 2.951 1.00 0.00 N ATOM 210 CA ARG A 23 2.718 -3.986 3.490 1.00 0.00 C ATOM 211 C ARG A 23 4.092 -3.349 3.358 1.00 0.00 C ATOM 212 O ARG A 23 4.182 -2.161 3.231 1.00 0.00 O ATOM 213 CB ARG A 23 2.177 -3.898 4.919 1.00 0.00 C ATOM 214 CG ARG A 23 2.969 -4.649 5.970 1.00 0.00 C ATOM 215 CD ARG A 23 3.363 -3.760 7.120 1.00 0.00 C ATOM 216 NE ARG A 23 3.931 -4.538 8.235 1.00 0.00 N ATOM 217 CZ ARG A 23 4.860 -4.094 9.087 1.00 0.00 C ATOM 218 NH1 ARG A 23 5.395 -2.888 8.923 1.00 0.00 N ATOM 219 NH2 ARG A 23 5.273 -4.875 10.084 1.00 0.00 N ATOM 0 H ARG A 23 2.457 -6.049 3.622 1.00 0.00 H new ATOM 0 HA ARG A 23 2.029 -3.403 2.879 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.132 -2.848 5.207 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.154 -4.274 4.924 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.376 -5.484 6.343 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.865 -5.073 5.515 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.092 -3.025 6.780 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.491 -3.206 7.468 1.00 0.00 H new ATOM 0 HE ARG A 23 3.588 -5.490 8.367 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.097 -2.299 8.145 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.104 -2.552 9.575 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.880 -5.810 10.196 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.982 -4.538 10.735 1.00 0.00 H new ATOM 233 N LYS A 24 5.154 -4.149 3.329 1.00 0.00 N ATOM 234 CA LYS A 24 6.493 -3.613 3.148 1.00 0.00 C ATOM 235 C LYS A 24 6.698 -3.131 1.723 1.00 0.00 C ATOM 236 O LYS A 24 7.183 -2.024 1.508 1.00 0.00 O ATOM 237 CB LYS A 24 7.582 -4.629 3.509 1.00 0.00 C ATOM 238 CG LYS A 24 7.730 -4.922 4.994 1.00 0.00 C ATOM 239 CD LYS A 24 8.170 -3.695 5.776 1.00 0.00 C ATOM 240 CE LYS A 24 8.432 -4.033 7.230 1.00 0.00 C ATOM 241 NZ LYS A 24 9.517 -5.029 7.380 1.00 0.00 N ATOM 0 H LYS A 24 5.111 -5.163 3.428 1.00 0.00 H new ATOM 0 HA LYS A 24 6.582 -2.769 3.832 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.370 -5.564 2.990 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.537 -4.264 3.130 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.780 -5.282 5.389 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.457 -5.722 5.135 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.073 -3.281 5.328 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.401 -2.925 5.712 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.696 -3.125 7.772 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.519 -4.420 7.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.180 -4.712 8.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 9.111 -5.947 7.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.024 -5.129 6.477 1.00 0.00 H new ATOM 255 N GLU A 25 6.283 -3.945 0.748 1.00 0.00 N ATOM 256 CA GLU A 25 6.474 -3.613 -0.675 1.00 0.00 C ATOM 257 C GLU A 25 5.675 -2.402 -0.987 1.00 0.00 C ATOM 258 O GLU A 25 6.114 -1.503 -1.696 1.00 0.00 O ATOM 259 CB GLU A 25 5.915 -4.664 -1.565 1.00 0.00 C ATOM 260 CG GLU A 25 6.181 -6.051 -1.164 1.00 0.00 C ATOM 261 CD GLU A 25 7.193 -6.735 -2.021 1.00 0.00 C ATOM 262 OE1 GLU A 25 8.401 -6.638 -1.737 1.00 0.00 O ATOM 263 OE2 GLU A 25 6.809 -7.388 -3.004 1.00 0.00 O ATOM 0 H GLU A 25 5.814 -4.836 0.912 1.00 0.00 H new ATOM 0 HA GLU A 25 7.545 -3.494 -0.836 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.836 -4.525 -1.627 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.314 -4.513 -2.568 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.525 -6.062 -0.130 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.249 -6.615 -1.196 1.00 0.00 H new ATOM 270 N MET A 26 4.488 -2.415 -0.487 1.00 0.00 N ATOM 271 CA MET A 26 3.563 -1.358 -0.736 1.00 0.00 C ATOM 272 C MET A 26 3.917 -0.079 -0.009 1.00 0.00 C ATOM 273 O MET A 26 3.800 0.967 -0.568 1.00 0.00 O ATOM 274 CB MET A 26 2.167 -1.812 -0.440 1.00 0.00 C ATOM 275 CG MET A 26 1.103 -0.772 -0.766 1.00 0.00 C ATOM 276 SD MET A 26 1.390 0.088 -2.340 1.00 0.00 S ATOM 277 CE MET A 26 0.905 -1.054 -3.606 1.00 0.00 C ATOM 0 H MET A 26 4.128 -3.161 0.109 1.00 0.00 H new ATOM 0 HA MET A 26 3.625 -1.111 -1.796 1.00 0.00 H new ATOM 0 HB2 MET A 26 1.961 -2.719 -1.008 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.096 -2.073 0.616 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.128 -1.259 -0.799 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.065 -0.038 0.039 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.785 -1.376 -4.162 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.427 -1.921 -3.150 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.204 -0.568 -4.285 1.00 0.00 H new ATOM 287 N SER A 27 4.382 -0.172 1.217 1.00 0.00 N ATOM 288 CA SER A 27 4.785 1.006 1.922 1.00 0.00 C ATOM 289 C SER A 27 5.916 1.648 1.209 1.00 0.00 C ATOM 290 O SER A 27 5.928 2.838 1.031 1.00 0.00 O ATOM 291 CB SER A 27 5.136 0.750 3.379 1.00 0.00 C ATOM 292 OG SER A 27 6.013 -0.346 3.538 1.00 0.00 O ATOM 0 H SER A 27 4.487 -1.045 1.735 1.00 0.00 H new ATOM 0 HA SER A 27 3.928 1.679 1.940 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.596 1.644 3.801 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.222 0.565 3.943 1.00 0.00 H new ATOM 0 HG SER A 27 5.494 -1.155 3.728 1.00 0.00 H new ATOM 298 N GLN A 28 6.835 0.840 0.728 1.00 0.00 N ATOM 299 CA GLN A 28 7.972 1.389 0.008 1.00 0.00 C ATOM 300 C GLN A 28 7.581 1.984 -1.320 1.00 0.00 C ATOM 301 O GLN A 28 8.027 3.079 -1.693 1.00 0.00 O ATOM 302 CB GLN A 28 9.122 0.411 -0.140 1.00 0.00 C ATOM 303 CG GLN A 28 8.853 -0.921 -0.764 1.00 0.00 C ATOM 304 CD GLN A 28 10.116 -1.768 -0.901 1.00 0.00 C ATOM 305 OE1 GLN A 28 9.990 -3.064 -0.762 1.00 0.00 O flip ATOM 306 NE2 GLN A 28 11.219 -1.241 -1.085 1.00 0.00 N flip ATOM 0 H GLN A 28 6.824 -0.176 0.817 1.00 0.00 H new ATOM 0 HA GLN A 28 8.339 2.202 0.634 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.899 0.900 -0.727 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.536 0.234 0.853 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.122 -1.460 -0.162 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.409 -0.774 -1.749 1.00 0.00 H new ATOM 0 HE21 GLN A 28 11.289 -0.229 -1.190 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.059 -1.818 -1.132 1.00 0.00 H new ATOM 315 N PHE A 29 6.769 1.250 -2.020 1.00 0.00 N ATOM 316 CA PHE A 29 6.163 1.683 -3.289 1.00 0.00 C ATOM 317 C PHE A 29 5.381 3.005 -3.103 1.00 0.00 C ATOM 318 O PHE A 29 5.552 3.946 -3.875 1.00 0.00 O ATOM 319 CB PHE A 29 5.253 0.569 -3.869 1.00 0.00 C ATOM 320 CG PHE A 29 4.487 0.950 -5.094 1.00 0.00 C ATOM 321 CD1 PHE A 29 5.070 0.881 -6.347 1.00 0.00 C ATOM 322 CD2 PHE A 29 3.169 1.367 -4.996 1.00 0.00 C ATOM 323 CE1 PHE A 29 4.353 1.221 -7.463 1.00 0.00 C ATOM 324 CE2 PHE A 29 2.463 1.699 -6.105 1.00 0.00 C ATOM 325 CZ PHE A 29 3.050 1.630 -7.331 1.00 0.00 C ATOM 0 H PHE A 29 6.490 0.310 -1.738 1.00 0.00 H new ATOM 0 HA PHE A 29 6.963 1.869 -4.005 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.870 -0.299 -4.101 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.546 0.261 -3.099 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.096 0.557 -6.445 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.699 1.428 -4.026 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.810 1.168 -8.440 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.435 2.018 -6.015 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.484 1.900 -8.210 1.00 0.00 H new ATOM 335 N ILE A 30 4.538 3.062 -2.086 1.00 0.00 N ATOM 336 CA ILE A 30 3.784 4.264 -1.750 1.00 0.00 C ATOM 337 C ILE A 30 4.708 5.374 -1.364 1.00 0.00 C ATOM 338 O ILE A 30 4.536 6.495 -1.811 1.00 0.00 O ATOM 339 CB ILE A 30 2.744 4.024 -0.636 1.00 0.00 C ATOM 340 CG1 ILE A 30 1.618 3.182 -1.192 1.00 0.00 C ATOM 341 CG2 ILE A 30 2.211 5.351 -0.071 1.00 0.00 C ATOM 342 CD1 ILE A 30 0.664 2.679 -0.161 1.00 0.00 C ATOM 0 H ILE A 30 4.354 2.274 -1.465 1.00 0.00 H new ATOM 0 HA ILE A 30 3.233 4.548 -2.646 1.00 0.00 H new ATOM 0 HB ILE A 30 3.221 3.496 0.190 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.066 3.771 -1.925 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.044 2.331 -1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.481 5.146 0.712 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.037 5.927 0.346 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.737 5.922 -0.869 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.112 2.085 -0.643 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.200 2.061 0.559 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.207 3.524 0.355 1.00 0.00 H new ATOM 354 N VAL A 31 5.688 5.071 -0.535 1.00 0.00 N ATOM 355 CA VAL A 31 6.715 6.049 -0.188 1.00 0.00 C ATOM 356 C VAL A 31 7.345 6.630 -1.459 1.00 0.00 C ATOM 357 O VAL A 31 7.473 7.844 -1.595 1.00 0.00 O ATOM 358 CB VAL A 31 7.790 5.430 0.758 1.00 0.00 C ATOM 359 CG1 VAL A 31 9.049 6.285 0.843 1.00 0.00 C ATOM 360 CG2 VAL A 31 7.209 5.272 2.158 1.00 0.00 C ATOM 0 H VAL A 31 5.800 4.161 -0.088 1.00 0.00 H new ATOM 0 HA VAL A 31 6.244 6.866 0.359 1.00 0.00 H new ATOM 0 HB VAL A 31 8.067 4.462 0.341 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.766 5.811 1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.490 6.383 -0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.793 7.273 1.225 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.961 4.839 2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.910 6.248 2.540 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.340 4.615 2.119 1.00 0.00 H new ATOM 370 N GLN A 32 7.667 5.763 -2.403 1.00 0.00 N ATOM 371 CA GLN A 32 8.220 6.155 -3.683 1.00 0.00 C ATOM 372 C GLN A 32 7.248 7.066 -4.431 1.00 0.00 C ATOM 373 O GLN A 32 7.643 8.065 -5.021 1.00 0.00 O ATOM 374 CB GLN A 32 8.479 4.902 -4.506 1.00 0.00 C ATOM 375 CG GLN A 32 9.053 5.145 -5.875 1.00 0.00 C ATOM 376 CD GLN A 32 10.399 5.834 -5.840 1.00 0.00 C ATOM 377 OE1 GLN A 32 11.436 5.182 -5.778 1.00 0.00 O ATOM 378 NE2 GLN A 32 10.397 7.144 -5.887 1.00 0.00 N ATOM 0 H GLN A 32 7.549 4.755 -2.299 1.00 0.00 H new ATOM 0 HA GLN A 32 9.150 6.701 -3.522 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.161 4.257 -3.952 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.541 4.357 -4.614 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.153 4.192 -6.395 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.356 5.752 -6.452 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.513 7.651 -5.938 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.279 7.656 -5.873 1.00 0.00 H new ATOM 387 N CYS A 33 5.993 6.694 -4.385 1.00 0.00 N ATOM 388 CA CYS A 33 4.926 7.429 -5.013 1.00 0.00 C ATOM 389 C CYS A 33 4.698 8.785 -4.363 1.00 0.00 C ATOM 390 O CYS A 33 4.344 9.728 -5.034 1.00 0.00 O ATOM 391 CB CYS A 33 3.651 6.606 -4.965 1.00 0.00 C ATOM 392 SG CYS A 33 3.726 5.079 -5.923 1.00 0.00 S ATOM 0 H CYS A 33 5.679 5.854 -3.899 1.00 0.00 H new ATOM 0 HA CYS A 33 5.213 7.615 -6.048 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.428 6.361 -3.927 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.825 7.214 -5.333 1.00 0.00 H new ATOM 0 HG CYS A 33 4.501 4.226 -5.321 1.00 0.00 H new ATOM 398 N LEU A 34 4.870 8.857 -3.058 1.00 0.00 N ATOM 399 CA LEU A 34 4.729 10.103 -2.312 1.00 0.00 C ATOM 400 C LEU A 34 5.968 10.992 -2.416 1.00 0.00 C ATOM 401 O LEU A 34 5.888 12.188 -2.154 1.00 0.00 O ATOM 402 CB LEU A 34 4.384 9.862 -0.846 1.00 0.00 C ATOM 403 CG LEU A 34 3.013 9.265 -0.540 1.00 0.00 C ATOM 404 CD1 LEU A 34 2.840 9.140 0.959 1.00 0.00 C ATOM 405 CD2 LEU A 34 1.898 10.123 -1.129 1.00 0.00 C ATOM 0 H LEU A 34 5.112 8.053 -2.478 1.00 0.00 H new ATOM 0 HA LEU A 34 3.896 10.629 -2.779 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.142 9.201 -0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.463 10.813 -0.320 1.00 0.00 H new ATOM 0 HG LEU A 34 2.953 8.277 -0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.861 8.714 1.178 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.617 8.490 1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.917 10.126 1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.932 9.675 -0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.945 11.125 -0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.018 10.184 -2.211 1.00 0.00 H new ATOM 417 N ASN A 35 7.118 10.400 -2.735 1.00 0.00 N ATOM 418 CA ASN A 35 8.349 11.160 -3.007 1.00 0.00 C ATOM 419 C ASN A 35 8.194 12.452 -3.825 1.00 0.00 C ATOM 420 O ASN A 35 8.677 13.489 -3.394 1.00 0.00 O ATOM 421 CB ASN A 35 9.432 10.289 -3.579 1.00 0.00 C ATOM 422 CG ASN A 35 10.307 9.952 -2.475 1.00 0.00 C ATOM 423 OD1 ASN A 35 11.358 10.562 -2.278 1.00 0.00 O ATOM 424 ND2 ASN A 35 9.842 9.098 -1.666 1.00 0.00 N ATOM 0 H ASN A 35 7.228 9.389 -2.813 1.00 0.00 H new ATOM 0 HA ASN A 35 8.643 11.507 -2.017 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.011 9.390 -4.030 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.979 10.813 -4.363 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.343 8.887 -0.803 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.966 8.620 -1.877 1.00 0.00 H new ATOM 431 N PRO A 36 7.511 12.445 -5.000 1.00 0.00 N ATOM 432 CA PRO A 36 7.322 13.674 -5.787 1.00 0.00 C ATOM 433 C PRO A 36 6.405 14.692 -5.093 1.00 0.00 C ATOM 434 O PRO A 36 6.390 15.870 -5.447 1.00 0.00 O ATOM 435 CB PRO A 36 6.695 13.186 -7.100 1.00 0.00 C ATOM 436 CG PRO A 36 6.075 11.877 -6.764 1.00 0.00 C ATOM 437 CD PRO A 36 6.932 11.272 -5.691 1.00 0.00 C ATOM 0 HA PRO A 36 8.265 14.201 -5.928 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.951 13.892 -7.469 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.448 13.078 -7.881 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.051 12.009 -6.416 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.033 11.230 -7.640 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.345 10.656 -5.010 1.00 0.00 H new ATOM 0 HD3 PRO A 36 7.708 10.632 -6.112 1.00 0.00 H new ATOM 445 N TYR A 37 5.679 14.240 -4.097 1.00 0.00 N ATOM 446 CA TYR A 37 4.749 15.088 -3.382 1.00 0.00 C ATOM 447 C TYR A 37 5.433 15.798 -2.260 1.00 0.00 C ATOM 448 O TYR A 37 5.035 16.874 -1.866 1.00 0.00 O ATOM 449 CB TYR A 37 3.571 14.289 -2.840 1.00 0.00 C ATOM 450 CG TYR A 37 2.716 13.679 -3.904 1.00 0.00 C ATOM 451 CD1 TYR A 37 3.059 12.483 -4.480 1.00 0.00 C ATOM 452 CD2 TYR A 37 1.566 14.301 -4.326 1.00 0.00 C ATOM 453 CE1 TYR A 37 2.289 11.914 -5.454 1.00 0.00 C ATOM 454 CE2 TYR A 37 0.778 13.747 -5.303 1.00 0.00 C ATOM 455 CZ TYR A 37 1.145 12.547 -5.868 1.00 0.00 C ATOM 456 OH TYR A 37 0.362 11.979 -6.852 1.00 0.00 O ATOM 0 H TYR A 37 5.715 13.278 -3.759 1.00 0.00 H new ATOM 0 HA TYR A 37 4.370 15.823 -4.092 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.948 13.498 -2.192 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.955 14.942 -2.221 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.958 11.980 -4.156 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.277 15.242 -3.881 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.579 10.972 -5.895 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.122 14.248 -5.626 1.00 0.00 H new ATOM 0 HH TYR A 37 0.831 12.026 -7.711 1.00 0.00 H new ATOM 466 N ARG A 38 6.484 15.216 -1.751 1.00 0.00 N ATOM 467 CA ARG A 38 7.184 15.820 -0.625 1.00 0.00 C ATOM 468 C ARG A 38 8.187 16.849 -1.098 1.00 0.00 C ATOM 469 O ARG A 38 8.870 17.493 -0.301 1.00 0.00 O ATOM 470 CB ARG A 38 7.860 14.780 0.237 1.00 0.00 C ATOM 471 CG ARG A 38 8.982 14.033 -0.443 1.00 0.00 C ATOM 472 CD ARG A 38 9.637 13.112 0.549 1.00 0.00 C ATOM 473 NE ARG A 38 10.810 12.388 0.040 1.00 0.00 N ATOM 474 CZ ARG A 38 11.781 11.885 0.837 1.00 0.00 C ATOM 475 NH1 ARG A 38 11.735 12.086 2.150 1.00 0.00 N ATOM 476 NH2 ARG A 38 12.790 11.199 0.322 1.00 0.00 N ATOM 0 H ARG A 38 6.879 14.337 -2.084 1.00 0.00 H new ATOM 0 HA ARG A 38 6.435 16.323 -0.013 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.254 15.267 1.129 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.112 14.061 0.570 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.595 13.462 -1.287 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.713 14.736 -0.842 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.937 13.694 1.420 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.900 12.385 0.890 1.00 0.00 H new ATOM 0 HE ARG A 38 10.897 12.258 -0.968 1.00 0.00 H new ATOM 0 HH11 ARG A 38 10.967 12.620 2.558 1.00 0.00 H new ATOM 0 HH12 ARG A 38 12.467 11.706 2.750 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.841 11.045 -0.685 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.516 10.825 0.932 1.00 0.00 H new ATOM 490 N LYS A 39 8.274 16.987 -2.384 1.00 0.00 N ATOM 491 CA LYS A 39 9.128 17.974 -2.990 1.00 0.00 C ATOM 492 C LYS A 39 8.490 19.343 -2.763 1.00 0.00 C ATOM 493 O LYS A 39 7.295 19.494 -2.960 1.00 0.00 O ATOM 494 CB LYS A 39 9.277 17.697 -4.490 1.00 0.00 C ATOM 495 CG LYS A 39 9.766 16.292 -4.808 1.00 0.00 C ATOM 496 CD LYS A 39 11.120 16.002 -4.185 1.00 0.00 C ATOM 497 CE LYS A 39 11.537 14.560 -4.413 1.00 0.00 C ATOM 498 NZ LYS A 39 11.658 14.222 -5.842 1.00 0.00 N ATOM 0 H LYS A 39 7.754 16.417 -3.051 1.00 0.00 H new ATOM 0 HA LYS A 39 10.123 17.942 -2.545 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.315 17.856 -4.977 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.973 18.419 -4.916 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.038 15.565 -4.447 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.831 16.168 -5.889 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.869 16.670 -4.610 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.081 16.206 -3.115 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.492 14.380 -3.919 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.807 13.897 -3.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.073 13.274 -5.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.716 14.235 -6.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.270 14.919 -6.313 1.00 0.00 H new ATOM 512 N PRO A 40 9.272 20.348 -2.358 1.00 0.00 N ATOM 513 CA PRO A 40 8.756 21.693 -2.009 1.00 0.00 C ATOM 514 C PRO A 40 8.064 22.424 -3.174 1.00 0.00 C ATOM 515 O PRO A 40 7.392 23.434 -2.974 1.00 0.00 O ATOM 516 CB PRO A 40 10.010 22.458 -1.563 1.00 0.00 C ATOM 517 CG PRO A 40 11.151 21.709 -2.163 1.00 0.00 C ATOM 518 CD PRO A 40 10.731 20.272 -2.195 1.00 0.00 C ATOM 0 HA PRO A 40 7.979 21.622 -1.247 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.988 23.490 -1.912 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.087 22.491 -0.476 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.372 22.073 -3.166 1.00 0.00 H new ATOM 0 HG3 PRO A 40 12.057 21.838 -1.570 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.200 19.734 -3.019 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.006 19.752 -1.277 1.00 0.00 H new ATOM 526 N ASP A 41 8.227 21.924 -4.375 1.00 0.00 N ATOM 527 CA ASP A 41 7.613 22.556 -5.535 1.00 0.00 C ATOM 528 C ASP A 41 6.463 21.684 -6.075 1.00 0.00 C ATOM 529 O ASP A 41 5.997 21.858 -7.207 1.00 0.00 O ATOM 530 CB ASP A 41 8.683 22.821 -6.611 1.00 0.00 C ATOM 531 CG ASP A 41 8.200 23.689 -7.754 1.00 0.00 C ATOM 532 OD1 ASP A 41 8.104 24.922 -7.583 1.00 0.00 O ATOM 533 OD2 ASP A 41 7.928 23.166 -8.856 1.00 0.00 O ATOM 0 H ASP A 41 8.774 21.088 -4.582 1.00 0.00 H new ATOM 0 HA ASP A 41 7.185 23.515 -5.242 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.544 23.298 -6.144 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.026 21.867 -7.012 1.00 0.00 H new ATOM 538 N CYS A 42 6.027 20.718 -5.269 1.00 0.00 N ATOM 539 CA CYS A 42 4.904 19.893 -5.658 1.00 0.00 C ATOM 540 C CYS A 42 3.643 20.759 -5.751 1.00 0.00 C ATOM 541 O CYS A 42 3.336 21.534 -4.836 1.00 0.00 O ATOM 542 CB CYS A 42 4.702 18.737 -4.706 1.00 0.00 C ATOM 543 SG CYS A 42 3.436 17.561 -5.234 1.00 0.00 S ATOM 0 H CYS A 42 6.431 20.496 -4.359 1.00 0.00 H new ATOM 0 HA CYS A 42 5.114 19.461 -6.636 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.648 18.208 -4.588 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.432 19.130 -3.726 1.00 0.00 H new ATOM 0 HG CYS A 42 2.273 17.956 -4.809 1.00 0.00 H new ATOM 549 N LYS A 43 2.944 20.636 -6.856 1.00 0.00 N ATOM 550 CA LYS A 43 1.794 21.483 -7.144 1.00 0.00 C ATOM 551 C LYS A 43 0.530 20.943 -6.513 1.00 0.00 C ATOM 552 O LYS A 43 -0.431 21.680 -6.299 1.00 0.00 O ATOM 553 CB LYS A 43 1.556 21.618 -8.659 1.00 0.00 C ATOM 554 CG LYS A 43 2.679 22.268 -9.485 1.00 0.00 C ATOM 555 CD LYS A 43 3.897 21.366 -9.643 1.00 0.00 C ATOM 556 CE LYS A 43 4.956 21.990 -10.525 1.00 0.00 C ATOM 557 NZ LYS A 43 5.494 23.252 -9.975 1.00 0.00 N ATOM 0 H LYS A 43 3.150 19.950 -7.583 1.00 0.00 H new ATOM 0 HA LYS A 43 2.025 22.460 -6.720 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.370 20.623 -9.063 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.645 22.198 -8.809 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.294 22.527 -10.472 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.982 23.199 -9.007 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.321 21.155 -8.661 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.588 20.411 -10.068 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.773 21.281 -10.660 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.534 22.181 -11.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.272 24.035 -10.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.063 23.438 -9.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.525 23.172 -9.869 1.00 0.00 H new ATOM 571 N VAL A 44 0.508 19.668 -6.263 1.00 0.00 N ATOM 572 CA VAL A 44 -0.658 19.046 -5.699 1.00 0.00 C ATOM 573 C VAL A 44 -0.275 18.021 -4.639 1.00 0.00 C ATOM 574 O VAL A 44 0.537 17.138 -4.884 1.00 0.00 O ATOM 575 CB VAL A 44 -1.569 18.414 -6.806 1.00 0.00 C ATOM 576 CG1 VAL A 44 -0.842 17.362 -7.624 1.00 0.00 C ATOM 577 CG2 VAL A 44 -2.854 17.860 -6.220 1.00 0.00 C ATOM 0 H VAL A 44 1.287 19.034 -6.441 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.242 19.826 -5.210 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.832 19.222 -7.489 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.517 16.956 -8.377 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.019 17.814 -8.116 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.505 16.560 -6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.461 17.430 -7.016 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.617 17.089 -5.487 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.409 18.663 -5.735 1.00 0.00 H new ATOM 587 N GLY A 45 -0.828 18.188 -3.459 1.00 0.00 N ATOM 588 CA GLY A 45 -0.589 17.283 -2.362 1.00 0.00 C ATOM 589 C GLY A 45 0.842 17.361 -1.857 1.00 0.00 C ATOM 590 O GLY A 45 1.443 16.337 -1.557 1.00 0.00 O ATOM 0 H GLY A 45 -1.458 18.958 -3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.274 17.514 -1.546 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.805 16.263 -2.680 1.00 0.00 H new ATOM 594 N ARG A 46 1.393 18.574 -1.753 1.00 0.00 N ATOM 595 CA ARG A 46 2.767 18.755 -1.317 1.00 0.00 C ATOM 596 C ARG A 46 2.880 18.397 0.155 1.00 0.00 C ATOM 597 O ARG A 46 2.237 19.012 1.007 1.00 0.00 O ATOM 598 CB ARG A 46 3.226 20.213 -1.580 1.00 0.00 C ATOM 599 CG ARG A 46 4.749 20.447 -1.538 1.00 0.00 C ATOM 600 CD ARG A 46 5.360 20.545 -0.149 1.00 0.00 C ATOM 601 NE ARG A 46 4.989 21.793 0.535 1.00 0.00 N ATOM 602 CZ ARG A 46 5.597 22.302 1.629 1.00 0.00 C ATOM 603 NH1 ARG A 46 6.577 21.641 2.235 1.00 0.00 N ATOM 604 NH2 ARG A 46 5.225 23.486 2.093 1.00 0.00 N ATOM 0 H ARG A 46 0.902 19.442 -1.967 1.00 0.00 H new ATOM 0 HA ARG A 46 3.422 18.095 -1.885 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.855 20.521 -2.558 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.756 20.862 -0.842 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.238 19.634 -2.074 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.973 21.366 -2.080 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.035 19.694 0.450 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.446 20.484 -0.226 1.00 0.00 H new ATOM 0 HE ARG A 46 4.205 22.320 0.150 1.00 0.00 H new ATOM 0 HH11 ARG A 46 6.880 20.736 1.875 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.026 22.038 3.060 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.484 24.007 1.625 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.680 23.876 2.918 1.00 0.00 H new ATOM 618 N ILE A 47 3.672 17.413 0.441 1.00 0.00 N ATOM 619 CA ILE A 47 3.840 16.950 1.789 1.00 0.00 C ATOM 620 C ILE A 47 4.736 17.869 2.582 1.00 0.00 C ATOM 621 O ILE A 47 5.933 18.025 2.293 1.00 0.00 O ATOM 622 CB ILE A 47 4.311 15.485 1.873 1.00 0.00 C ATOM 623 CG1 ILE A 47 3.327 14.598 1.094 1.00 0.00 C ATOM 624 CG2 ILE A 47 4.407 15.065 3.326 1.00 0.00 C ATOM 625 CD1 ILE A 47 3.692 13.140 1.038 1.00 0.00 C ATOM 0 H ILE A 47 4.223 16.905 -0.251 1.00 0.00 H new ATOM 0 HA ILE A 47 2.850 16.974 2.244 1.00 0.00 H new ATOM 0 HB ILE A 47 5.300 15.377 1.428 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.340 14.693 1.546 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.248 14.977 0.075 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.740 14.029 3.384 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.121 15.705 3.843 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.429 15.158 3.797 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.938 12.598 0.468 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.663 13.026 0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.740 12.738 2.050 1.00 0.00 H new ATOM 637 N THR A 48 4.125 18.463 3.555 1.00 0.00 N ATOM 638 CA THR A 48 4.694 19.431 4.445 1.00 0.00 C ATOM 639 C THR A 48 5.930 18.935 5.182 1.00 0.00 C ATOM 640 O THR A 48 7.008 19.527 5.091 1.00 0.00 O ATOM 641 CB THR A 48 3.623 19.773 5.472 1.00 0.00 C ATOM 642 OG1 THR A 48 3.043 18.543 5.937 1.00 0.00 O ATOM 643 CG2 THR A 48 2.549 20.573 4.845 1.00 0.00 C ATOM 0 H THR A 48 3.145 18.273 3.766 1.00 0.00 H new ATOM 0 HA THR A 48 5.012 20.288 3.852 1.00 0.00 H new ATOM 0 HB THR A 48 4.072 20.341 6.287 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.350 18.739 6.602 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.790 20.811 5.590 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.969 21.497 4.447 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.096 20.002 4.035 1.00 0.00 H new ATOM 651 N THR A 49 5.773 17.859 5.894 1.00 0.00 N ATOM 652 CA THR A 49 6.815 17.393 6.754 1.00 0.00 C ATOM 653 C THR A 49 6.966 15.884 6.683 1.00 0.00 C ATOM 654 O THR A 49 6.068 15.188 6.212 1.00 0.00 O ATOM 655 CB THR A 49 6.555 17.866 8.209 1.00 0.00 C ATOM 656 OG1 THR A 49 5.275 18.553 8.295 1.00 0.00 O ATOM 657 CG2 THR A 49 7.651 18.815 8.663 1.00 0.00 C ATOM 0 H THR A 49 4.929 17.287 5.895 1.00 0.00 H new ATOM 0 HA THR A 49 7.757 17.822 6.412 1.00 0.00 H new ATOM 0 HB THR A 49 6.545 16.986 8.853 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.597 17.939 8.648 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.453 19.137 9.685 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.613 18.305 8.623 1.00 0.00 H new ATOM 0 HG23 THR A 49 7.674 19.685 8.007 1.00 0.00 H new ATOM 665 N THR A 50 8.088 15.398 7.144 1.00 0.00 N ATOM 666 CA THR A 50 8.428 13.998 7.108 1.00 0.00 C ATOM 667 C THR A 50 7.448 13.141 7.892 1.00 0.00 C ATOM 668 O THR A 50 7.045 12.083 7.425 1.00 0.00 O ATOM 669 CB THR A 50 9.864 13.794 7.625 1.00 0.00 C ATOM 670 OG1 THR A 50 10.273 12.420 7.526 1.00 0.00 O ATOM 671 CG2 THR A 50 10.027 14.277 9.043 1.00 0.00 C ATOM 0 H THR A 50 8.811 15.980 7.567 1.00 0.00 H new ATOM 0 HA THR A 50 8.367 13.672 6.070 1.00 0.00 H new ATOM 0 HB THR A 50 10.509 14.395 6.984 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.189 12.326 7.861 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.055 14.114 9.367 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.795 15.341 9.094 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.349 13.726 9.695 1.00 0.00 H new ATOM 679 N GLU A 51 7.055 13.606 9.058 1.00 0.00 N ATOM 680 CA GLU A 51 6.102 12.899 9.868 1.00 0.00 C ATOM 681 C GLU A 51 4.764 12.823 9.179 1.00 0.00 C ATOM 682 O GLU A 51 4.043 11.834 9.326 1.00 0.00 O ATOM 683 CB GLU A 51 5.966 13.476 11.286 1.00 0.00 C ATOM 684 CG GLU A 51 5.729 14.976 11.370 1.00 0.00 C ATOM 685 CD GLU A 51 7.013 15.763 11.348 1.00 0.00 C ATOM 686 OE1 GLU A 51 7.596 15.949 10.268 1.00 0.00 O ATOM 687 OE2 GLU A 51 7.462 16.191 12.426 1.00 0.00 O ATOM 0 H GLU A 51 7.388 14.480 9.465 1.00 0.00 H new ATOM 0 HA GLU A 51 6.490 11.888 9.990 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.142 12.968 11.787 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.872 13.239 11.843 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.100 15.289 10.536 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.182 15.204 12.285 1.00 0.00 H new ATOM 694 N ASP A 52 4.450 13.838 8.382 1.00 0.00 N ATOM 695 CA ASP A 52 3.216 13.863 7.610 1.00 0.00 C ATOM 696 C ASP A 52 3.321 12.887 6.484 1.00 0.00 C ATOM 697 O ASP A 52 2.394 12.124 6.224 1.00 0.00 O ATOM 698 CB ASP A 52 2.933 15.270 7.044 1.00 0.00 C ATOM 699 CG ASP A 52 2.359 16.251 8.047 1.00 0.00 C ATOM 700 OD1 ASP A 52 3.138 16.965 8.716 1.00 0.00 O ATOM 701 OD2 ASP A 52 1.108 16.351 8.177 1.00 0.00 O ATOM 0 H ASP A 52 5.040 14.660 8.254 1.00 0.00 H new ATOM 0 HA ASP A 52 2.393 13.592 8.271 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.861 15.680 6.645 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.240 15.178 6.208 1.00 0.00 H new ATOM 706 N PHE A 53 4.483 12.887 5.853 1.00 0.00 N ATOM 707 CA PHE A 53 4.813 11.975 4.787 1.00 0.00 C ATOM 708 C PHE A 53 4.639 10.519 5.284 1.00 0.00 C ATOM 709 O PHE A 53 3.959 9.712 4.657 1.00 0.00 O ATOM 710 CB PHE A 53 6.260 12.234 4.326 1.00 0.00 C ATOM 711 CG PHE A 53 6.769 11.280 3.302 1.00 0.00 C ATOM 712 CD1 PHE A 53 7.355 10.094 3.686 1.00 0.00 C ATOM 713 CD2 PHE A 53 6.645 11.557 1.964 1.00 0.00 C ATOM 714 CE1 PHE A 53 7.804 9.206 2.754 1.00 0.00 C ATOM 715 CE2 PHE A 53 7.093 10.674 1.017 1.00 0.00 C ATOM 716 CZ PHE A 53 7.671 9.496 1.407 1.00 0.00 C ATOM 0 H PHE A 53 5.235 13.538 6.078 1.00 0.00 H new ATOM 0 HA PHE A 53 4.147 12.130 3.938 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.323 13.245 3.923 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.916 12.196 5.196 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.460 9.865 4.736 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.188 12.485 1.653 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.262 8.279 3.066 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.991 10.906 -0.033 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.023 8.794 0.665 1.00 0.00 H new ATOM 726 N LYS A 54 5.234 10.242 6.426 1.00 0.00 N ATOM 727 CA LYS A 54 5.189 8.940 7.067 1.00 0.00 C ATOM 728 C LYS A 54 3.774 8.556 7.446 1.00 0.00 C ATOM 729 O LYS A 54 3.344 7.433 7.191 1.00 0.00 O ATOM 730 CB LYS A 54 6.092 8.958 8.306 1.00 0.00 C ATOM 731 CG LYS A 54 7.581 9.009 7.954 1.00 0.00 C ATOM 732 CD LYS A 54 8.460 9.336 9.157 1.00 0.00 C ATOM 733 CE LYS A 54 8.323 8.331 10.293 1.00 0.00 C ATOM 734 NZ LYS A 54 8.799 6.980 9.933 1.00 0.00 N ATOM 0 H LYS A 54 5.776 10.931 6.948 1.00 0.00 H new ATOM 0 HA LYS A 54 5.549 8.191 6.361 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.839 9.821 8.922 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.895 8.070 8.906 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.885 8.048 7.538 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.741 9.758 7.178 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.502 9.374 8.838 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.204 10.329 9.526 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.884 8.689 11.156 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.277 8.273 10.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.680 6.342 10.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.248 6.621 9.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.805 7.024 9.672 1.00 0.00 H new ATOM 748 N HIS A 55 3.031 9.518 7.979 1.00 0.00 N ATOM 749 CA HIS A 55 1.651 9.312 8.422 1.00 0.00 C ATOM 750 C HIS A 55 0.800 8.912 7.239 1.00 0.00 C ATOM 751 O HIS A 55 0.082 7.905 7.280 1.00 0.00 O ATOM 752 CB HIS A 55 1.114 10.612 9.053 1.00 0.00 C ATOM 753 CG HIS A 55 -0.318 10.584 9.534 1.00 0.00 C ATOM 754 ND1 HIS A 55 -0.680 10.118 10.772 1.00 0.00 N ATOM 755 CD2 HIS A 55 -1.472 11.014 8.945 1.00 0.00 C ATOM 756 CE1 HIS A 55 -1.970 10.252 10.942 1.00 0.00 C ATOM 757 NE2 HIS A 55 -2.489 10.794 9.848 1.00 0.00 N ATOM 0 H HIS A 55 3.368 10.471 8.118 1.00 0.00 H new ATOM 0 HA HIS A 55 1.617 8.518 9.168 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.753 10.871 9.897 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.213 11.413 8.321 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.569 11.444 7.959 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -2.521 9.968 11.826 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.475 11.011 9.700 1.00 0.00 H new ATOM 765 N LEU A 56 0.911 9.671 6.195 1.00 0.00 N ATOM 766 CA LEU A 56 0.139 9.442 5.023 1.00 0.00 C ATOM 767 C LEU A 56 0.545 8.134 4.354 1.00 0.00 C ATOM 768 O LEU A 56 -0.329 7.345 3.987 1.00 0.00 O ATOM 769 CB LEU A 56 0.286 10.584 4.038 1.00 0.00 C ATOM 770 CG LEU A 56 -0.989 11.102 3.375 1.00 0.00 C ATOM 771 CD1 LEU A 56 -0.687 11.681 2.018 1.00 0.00 C ATOM 772 CD2 LEU A 56 -2.129 10.090 3.355 1.00 0.00 C ATOM 0 H LEU A 56 1.543 10.469 6.135 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.905 9.377 5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.760 11.418 4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.971 10.266 3.252 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.365 11.910 4.003 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.609 12.044 1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.015 12.508 2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.248 10.911 1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.999 10.531 2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.817 9.202 2.805 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.387 9.812 4.377 1.00 0.00 H new ATOM 784 N ALA A 57 1.865 7.881 4.226 1.00 0.00 N ATOM 785 CA ALA A 57 2.351 6.642 3.607 1.00 0.00 C ATOM 786 C ALA A 57 1.756 5.438 4.320 1.00 0.00 C ATOM 787 O ALA A 57 1.297 4.479 3.673 1.00 0.00 O ATOM 788 CB ALA A 57 3.869 6.576 3.577 1.00 0.00 C ATOM 0 H ALA A 57 2.601 8.513 4.541 1.00 0.00 H new ATOM 0 HA ALA A 57 2.021 6.631 2.568 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.183 5.642 3.111 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.259 7.417 3.004 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.255 6.621 4.595 1.00 0.00 H new ATOM 794 N ARG A 58 1.678 5.540 5.638 1.00 0.00 N ATOM 795 CA ARG A 58 1.096 4.473 6.455 1.00 0.00 C ATOM 796 C ARG A 58 -0.359 4.288 6.123 1.00 0.00 C ATOM 797 O ARG A 58 -0.794 3.170 5.830 1.00 0.00 O ATOM 798 CB ARG A 58 1.208 4.777 7.932 1.00 0.00 C ATOM 799 CG ARG A 58 2.602 4.771 8.472 1.00 0.00 C ATOM 800 CD ARG A 58 2.595 5.247 9.894 1.00 0.00 C ATOM 801 NE ARG A 58 3.940 5.313 10.450 1.00 0.00 N ATOM 802 CZ ARG A 58 4.348 6.197 11.358 1.00 0.00 C ATOM 803 NH1 ARG A 58 3.513 7.136 11.800 1.00 0.00 N ATOM 804 NH2 ARG A 58 5.592 6.142 11.818 1.00 0.00 N ATOM 0 H ARG A 58 2.008 6.346 6.169 1.00 0.00 H new ATOM 0 HA ARG A 58 1.655 3.564 6.232 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.765 5.755 8.121 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.617 4.047 8.484 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.019 3.766 8.417 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.240 5.414 7.866 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.132 6.232 9.945 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.984 4.576 10.499 1.00 0.00 H new ATOM 0 HE ARG A 58 4.621 4.630 10.118 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.559 7.179 11.443 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.828 7.812 12.496 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.231 5.424 11.476 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.909 6.817 12.514 1.00 0.00 H new ATOM 818 N LYS A 59 -1.104 5.395 6.137 1.00 0.00 N ATOM 819 CA LYS A 59 -2.536 5.355 5.886 1.00 0.00 C ATOM 820 C LYS A 59 -2.856 4.727 4.541 1.00 0.00 C ATOM 821 O LYS A 59 -3.727 3.876 4.436 1.00 0.00 O ATOM 822 CB LYS A 59 -3.179 6.748 5.926 1.00 0.00 C ATOM 823 CG LYS A 59 -3.017 7.503 7.232 1.00 0.00 C ATOM 824 CD LYS A 59 -3.993 8.676 7.336 1.00 0.00 C ATOM 825 CE LYS A 59 -5.419 8.154 7.335 1.00 0.00 C ATOM 826 NZ LYS A 59 -6.429 9.152 7.710 1.00 0.00 N ATOM 0 H LYS A 59 -0.734 6.328 6.320 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.951 4.746 6.689 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.753 7.349 5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.243 6.644 5.716 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.177 6.822 8.068 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.995 7.873 7.314 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.802 9.241 8.249 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.845 9.360 6.501 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.653 7.773 6.341 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.485 7.311 8.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.373 8.717 7.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.234 9.500 8.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -6.396 9.947 7.041 1.00 0.00 H new ATOM 840 N LEU A 60 -2.141 5.147 3.530 1.00 0.00 N ATOM 841 CA LEU A 60 -2.392 4.705 2.168 1.00 0.00 C ATOM 842 C LEU A 60 -2.072 3.245 1.998 1.00 0.00 C ATOM 843 O LEU A 60 -2.845 2.504 1.379 1.00 0.00 O ATOM 844 CB LEU A 60 -1.610 5.581 1.231 1.00 0.00 C ATOM 845 CG LEU A 60 -1.964 7.041 1.407 1.00 0.00 C ATOM 846 CD1 LEU A 60 -0.906 7.969 0.837 1.00 0.00 C ATOM 847 CD2 LEU A 60 -3.334 7.329 0.825 1.00 0.00 C ATOM 0 H LEU A 60 -1.367 5.805 3.619 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.452 4.803 1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.543 5.441 1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.806 5.280 0.202 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.997 7.242 2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.210 9.005 0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.044 7.791 1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.791 7.778 -0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.572 8.384 0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.335 7.090 -0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.081 6.720 1.334 1.00 0.00 H new ATOM 859 N THR A 61 -0.947 2.823 2.588 1.00 0.00 N ATOM 860 CA THR A 61 -0.548 1.425 2.560 1.00 0.00 C ATOM 861 C THR A 61 -1.635 0.600 3.195 1.00 0.00 C ATOM 862 O THR A 61 -2.063 -0.435 2.676 1.00 0.00 O ATOM 863 CB THR A 61 0.777 1.201 3.365 1.00 0.00 C ATOM 864 OG1 THR A 61 1.824 2.033 2.849 1.00 0.00 O ATOM 865 CG2 THR A 61 1.224 -0.259 3.296 1.00 0.00 C ATOM 0 H THR A 61 -0.302 3.435 3.088 1.00 0.00 H new ATOM 0 HA THR A 61 -0.384 1.132 1.523 1.00 0.00 H new ATOM 0 HB THR A 61 0.577 1.463 4.404 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.919 2.828 3.414 1.00 0.00 H new ATOM 0 HG21 THR A 61 2.146 -0.384 3.864 1.00 0.00 H new ATOM 0 HG22 THR A 61 0.448 -0.897 3.718 1.00 0.00 H new ATOM 0 HG23 THR A 61 1.397 -0.538 2.257 1.00 0.00 H new ATOM 873 N HIS A 62 -2.123 1.113 4.277 1.00 0.00 N ATOM 874 CA HIS A 62 -3.059 0.390 5.089 1.00 0.00 C ATOM 875 C HIS A 62 -4.473 0.395 4.474 1.00 0.00 C ATOM 876 O HIS A 62 -5.243 -0.549 4.679 1.00 0.00 O ATOM 877 CB HIS A 62 -3.017 0.934 6.524 1.00 0.00 C ATOM 878 CG HIS A 62 -3.692 0.096 7.563 1.00 0.00 C ATOM 879 ND1 HIS A 62 -3.131 -1.058 8.083 1.00 0.00 N ATOM 880 CD2 HIS A 62 -4.875 0.251 8.195 1.00 0.00 C ATOM 881 CE1 HIS A 62 -3.936 -1.575 8.979 1.00 0.00 C ATOM 882 NE2 HIS A 62 -5.008 -0.804 9.070 1.00 0.00 N ATOM 0 H HIS A 62 -1.888 2.042 4.626 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.770 -0.660 5.126 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -1.974 1.064 6.812 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.475 1.923 6.530 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -5.584 1.052 8.043 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -3.755 -2.476 9.546 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -5.803 -0.965 9.688 1.00 0.00 H new ATOM 890 N GLY A 63 -4.792 1.414 3.702 1.00 0.00 N ATOM 891 CA GLY A 63 -6.096 1.486 3.061 1.00 0.00 C ATOM 892 C GLY A 63 -6.197 0.586 1.843 1.00 0.00 C ATOM 893 O GLY A 63 -7.234 -0.041 1.623 1.00 0.00 O ATOM 0 H GLY A 63 -4.174 2.200 3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -6.866 1.206 3.780 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.295 2.516 2.765 1.00 0.00 H new ATOM 897 N VAL A 64 -5.105 0.474 1.074 1.00 0.00 N ATOM 898 CA VAL A 64 -5.080 -0.441 -0.086 1.00 0.00 C ATOM 899 C VAL A 64 -5.145 -1.879 0.454 1.00 0.00 C ATOM 900 O VAL A 64 -5.852 -2.755 -0.057 1.00 0.00 O ATOM 901 CB VAL A 64 -3.785 -0.246 -0.949 1.00 0.00 C ATOM 902 CG1 VAL A 64 -3.684 -1.287 -2.075 1.00 0.00 C ATOM 903 CG2 VAL A 64 -3.761 1.154 -1.546 1.00 0.00 C ATOM 0 H VAL A 64 -4.240 0.993 1.226 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.929 -0.229 -0.735 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.929 -0.382 -0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.773 -1.116 -2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.659 -2.288 -1.644 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.549 -1.197 -2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.858 1.279 -2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.637 1.295 -2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.771 1.892 -0.744 1.00 0.00 H new ATOM 913 N MET A 65 -4.497 -2.041 1.559 1.00 0.00 N ATOM 914 CA MET A 65 -4.431 -3.297 2.258 1.00 0.00 C ATOM 915 C MET A 65 -5.821 -3.715 2.722 1.00 0.00 C ATOM 916 O MET A 65 -6.274 -4.818 2.441 1.00 0.00 O ATOM 917 CB MET A 65 -3.487 -3.146 3.425 1.00 0.00 C ATOM 918 CG MET A 65 -3.432 -4.287 4.370 1.00 0.00 C ATOM 919 SD MET A 65 -2.339 -3.893 5.733 1.00 0.00 S ATOM 920 CE MET A 65 -2.616 -5.306 6.729 1.00 0.00 C ATOM 0 H MET A 65 -3.983 -1.289 2.019 1.00 0.00 H new ATOM 0 HA MET A 65 -4.059 -4.079 1.595 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.484 -2.975 3.035 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.770 -2.252 3.982 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.431 -4.509 4.745 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.079 -5.181 3.855 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.012 -5.237 7.634 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.671 -5.359 6.999 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.338 -6.202 6.174 1.00 0.00 H new ATOM 930 N ASN A 66 -6.495 -2.811 3.396 1.00 0.00 N ATOM 931 CA ASN A 66 -7.819 -3.064 3.915 1.00 0.00 C ATOM 932 C ASN A 66 -8.838 -3.283 2.830 1.00 0.00 C ATOM 933 O ASN A 66 -9.678 -4.172 2.957 1.00 0.00 O ATOM 934 CB ASN A 66 -8.257 -1.979 4.886 1.00 0.00 C ATOM 935 CG ASN A 66 -7.851 -2.262 6.307 1.00 0.00 C ATOM 936 OD1 ASN A 66 -8.565 -2.926 7.064 1.00 0.00 O ATOM 937 ND2 ASN A 66 -6.725 -1.764 6.692 1.00 0.00 N ATOM 0 H ASN A 66 -6.139 -1.877 3.600 1.00 0.00 H new ATOM 0 HA ASN A 66 -7.758 -3.999 4.471 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.829 -1.026 4.575 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.341 -1.872 4.838 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.401 -1.914 7.647 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.159 -1.220 6.041 1.00 0.00 H new ATOM 944 N LYS A 67 -8.744 -2.522 1.752 1.00 0.00 N ATOM 945 CA LYS A 67 -9.685 -2.671 0.661 1.00 0.00 C ATOM 946 C LYS A 67 -9.576 -4.048 0.068 1.00 0.00 C ATOM 947 O LYS A 67 -10.581 -4.771 -0.069 1.00 0.00 O ATOM 948 CB LYS A 67 -9.526 -1.610 -0.448 1.00 0.00 C ATOM 949 CG LYS A 67 -8.231 -1.633 -1.224 1.00 0.00 C ATOM 950 CD LYS A 67 -8.195 -0.631 -2.371 1.00 0.00 C ATOM 951 CE LYS A 67 -9.155 -1.017 -3.494 1.00 0.00 C ATOM 952 NZ LYS A 67 -8.822 -2.337 -4.081 1.00 0.00 N ATOM 0 H LYS A 67 -8.034 -1.804 1.612 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.675 -2.520 1.093 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.348 -1.729 -1.154 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.634 -0.625 0.005 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.405 -1.425 -0.544 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.072 -2.635 -1.622 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.454 0.359 -1.996 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.181 -0.567 -2.766 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.174 -1.039 -3.108 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.126 -0.256 -4.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.280 -2.429 -5.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.791 -2.417 -4.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.161 -3.092 -3.452 1.00 0.00 H new ATOM 966 N GLU A 68 -8.374 -4.467 -0.220 1.00 0.00 N ATOM 967 CA GLU A 68 -8.257 -5.711 -0.830 1.00 0.00 C ATOM 968 C GLU A 68 -8.492 -6.835 0.105 1.00 0.00 C ATOM 969 O GLU A 68 -9.074 -7.797 -0.269 1.00 0.00 O ATOM 970 CB GLU A 68 -7.064 -5.839 -1.690 1.00 0.00 C ATOM 971 CG GLU A 68 -5.728 -5.632 -1.054 1.00 0.00 C ATOM 972 CD GLU A 68 -4.691 -5.722 -2.115 1.00 0.00 C ATOM 973 OE1 GLU A 68 -4.634 -4.784 -2.950 1.00 0.00 O ATOM 974 OE2 GLU A 68 -4.002 -6.764 -2.212 1.00 0.00 O ATOM 0 H GLU A 68 -7.504 -3.967 -0.040 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.081 -5.782 -1.540 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -7.075 -6.835 -2.133 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.161 -5.125 -2.508 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.687 -4.659 -0.563 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.552 -6.384 -0.285 1.00 0.00 H new ATOM 981 N LEU A 69 -8.096 -6.708 1.331 1.00 0.00 N ATOM 982 CA LEU A 69 -8.477 -7.715 2.322 1.00 0.00 C ATOM 983 C LEU A 69 -10.000 -7.837 2.449 1.00 0.00 C ATOM 984 O LEU A 69 -10.519 -8.934 2.670 1.00 0.00 O ATOM 985 CB LEU A 69 -7.869 -7.419 3.691 1.00 0.00 C ATOM 986 CG LEU A 69 -6.372 -7.653 3.832 1.00 0.00 C ATOM 987 CD1 LEU A 69 -5.881 -7.134 5.167 1.00 0.00 C ATOM 988 CD2 LEU A 69 -6.067 -9.133 3.706 1.00 0.00 C ATOM 0 H LEU A 69 -7.522 -5.943 1.684 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.081 -8.665 1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.077 -6.378 3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.382 -8.032 4.432 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.856 -7.113 3.038 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.809 -7.309 5.253 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.081 -6.065 5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.399 -7.654 5.973 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -4.994 -9.293 3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.592 -9.681 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.396 -9.491 2.730 1.00 0.00 H new ATOM 1000 N LYS A 70 -10.721 -6.743 2.249 1.00 0.00 N ATOM 1001 CA LYS A 70 -12.155 -6.785 2.403 1.00 0.00 C ATOM 1002 C LYS A 70 -12.875 -7.222 1.124 1.00 0.00 C ATOM 1003 O LYS A 70 -14.059 -7.560 1.149 1.00 0.00 O ATOM 1004 CB LYS A 70 -12.690 -5.470 3.018 1.00 0.00 C ATOM 1005 CG LYS A 70 -12.734 -4.269 2.121 1.00 0.00 C ATOM 1006 CD LYS A 70 -12.936 -2.980 2.915 1.00 0.00 C ATOM 1007 CE LYS A 70 -14.191 -2.998 3.789 1.00 0.00 C ATOM 1008 NZ LYS A 70 -15.448 -3.096 3.010 1.00 0.00 N ATOM 0 H LYS A 70 -10.339 -5.835 1.985 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.390 -7.569 3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -13.699 -5.654 3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.074 -5.225 3.883 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.806 -4.205 1.552 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.543 -4.383 1.399 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.064 -2.810 3.547 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.996 -2.140 2.222 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.133 -3.840 4.479 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.217 -2.092 4.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.260 -3.104 3.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.524 -2.280 2.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.443 -3.974 2.452 1.00 0.00 H new ATOM 1022 N TYR A 71 -12.160 -7.211 0.004 1.00 0.00 N ATOM 1023 CA TYR A 71 -12.703 -7.689 -1.278 1.00 0.00 C ATOM 1024 C TYR A 71 -12.071 -8.947 -1.817 1.00 0.00 C ATOM 1025 O TYR A 71 -12.637 -9.617 -2.673 1.00 0.00 O ATOM 1026 CB TYR A 71 -12.688 -6.562 -2.293 1.00 0.00 C ATOM 1027 CG TYR A 71 -13.719 -5.575 -1.877 1.00 0.00 C ATOM 1028 CD1 TYR A 71 -15.049 -5.825 -2.116 1.00 0.00 C ATOM 1029 CD2 TYR A 71 -13.386 -4.469 -1.148 1.00 0.00 C ATOM 1030 CE1 TYR A 71 -16.020 -4.977 -1.656 1.00 0.00 C ATOM 1031 CE2 TYR A 71 -14.339 -3.625 -0.667 1.00 0.00 C ATOM 1032 CZ TYR A 71 -15.659 -3.875 -0.925 1.00 0.00 C ATOM 1033 OH TYR A 71 -16.631 -3.031 -0.430 1.00 0.00 O ATOM 0 H TYR A 71 -11.198 -6.876 -0.049 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.731 -7.990 -1.077 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.704 -6.095 -2.333 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -12.902 -6.942 -3.292 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -15.332 -6.704 -2.675 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.345 -4.260 -0.949 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -17.061 -5.174 -1.867 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.054 -2.762 -0.084 1.00 0.00 H new ATOM 0 HH TYR A 71 -16.207 -2.300 0.066 1.00 0.00 H new ATOM 1043 N CYS A 72 -10.922 -9.271 -1.334 1.00 0.00 N ATOM 1044 CA CYS A 72 -10.276 -10.531 -1.648 1.00 0.00 C ATOM 1045 C CYS A 72 -10.719 -11.558 -0.637 1.00 0.00 C ATOM 1046 O CYS A 72 -10.775 -12.752 -0.923 1.00 0.00 O ATOM 1047 CB CYS A 72 -8.744 -10.375 -1.612 1.00 0.00 C ATOM 1048 SG CYS A 72 -8.051 -9.396 -2.967 1.00 0.00 S ATOM 0 H CYS A 72 -10.387 -8.675 -0.703 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.558 -10.849 -2.652 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.462 -9.912 -0.666 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.291 -11.366 -1.630 1.00 0.00 H new ATOM 0 HG CYS A 72 -6.759 -9.328 -2.837 1.00 0.00 H new ATOM 1054 N LYS A 73 -11.046 -11.054 0.561 1.00 0.00 N ATOM 1055 CA LYS A 73 -11.497 -11.822 1.737 1.00 0.00 C ATOM 1056 C LYS A 73 -10.395 -12.703 2.326 1.00 0.00 C ATOM 1057 O LYS A 73 -10.288 -12.848 3.541 1.00 0.00 O ATOM 1058 CB LYS A 73 -12.817 -12.607 1.527 1.00 0.00 C ATOM 1059 CG LYS A 73 -14.033 -11.737 1.150 1.00 0.00 C ATOM 1060 CD LYS A 73 -14.174 -11.543 -0.353 1.00 0.00 C ATOM 1061 CE LYS A 73 -14.561 -12.837 -1.067 1.00 0.00 C ATOM 1062 NZ LYS A 73 -15.873 -13.358 -0.627 1.00 0.00 N ATOM 0 H LYS A 73 -11.002 -10.052 0.749 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.734 -11.060 2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.662 -13.349 0.744 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.048 -13.153 2.442 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -14.940 -12.200 1.539 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.941 -10.763 1.631 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.928 -10.781 -0.550 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.233 -11.173 -0.760 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.586 -12.661 -2.142 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.795 -13.591 -0.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.206 -14.076 -1.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.778 -13.787 0.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.560 -12.578 -0.584 1.00 0.00 H new ATOM 1076 N ASN A 74 -9.587 -13.272 1.489 1.00 0.00 N ATOM 1077 CA ASN A 74 -8.473 -14.056 1.930 1.00 0.00 C ATOM 1078 C ASN A 74 -7.203 -13.416 1.439 1.00 0.00 C ATOM 1079 O ASN A 74 -7.119 -12.998 0.285 1.00 0.00 O ATOM 1080 CB ASN A 74 -8.572 -15.511 1.452 1.00 0.00 C ATOM 1081 CG ASN A 74 -9.787 -16.220 2.017 1.00 0.00 C ATOM 1082 OD1 ASN A 74 -9.732 -16.775 3.109 1.00 0.00 O ATOM 1083 ND2 ASN A 74 -10.873 -16.231 1.278 1.00 0.00 N ATOM 0 H ASN A 74 -9.680 -13.207 0.475 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.475 -14.085 3.020 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.616 -15.531 0.363 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -7.671 -16.050 1.745 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.709 -16.713 1.608 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.880 -15.758 0.375 1.00 0.00 H new ATOM 1090 N PRO A 75 -6.193 -13.287 2.307 1.00 0.00 N ATOM 1091 CA PRO A 75 -4.909 -12.663 1.951 1.00 0.00 C ATOM 1092 C PRO A 75 -4.028 -13.477 1.054 1.00 0.00 C ATOM 1093 O PRO A 75 -2.896 -13.119 0.797 1.00 0.00 O ATOM 1094 CB PRO A 75 -4.203 -12.493 3.227 1.00 0.00 C ATOM 1095 CG PRO A 75 -4.844 -13.451 4.199 1.00 0.00 C ATOM 1096 CD PRO A 75 -6.239 -13.682 3.728 1.00 0.00 C ATOM 0 HA PRO A 75 -5.120 -11.747 1.400 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.140 -12.707 3.114 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.285 -11.466 3.583 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.290 -14.389 4.238 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.841 -13.037 5.207 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.535 -14.725 3.845 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -6.956 -13.082 4.288 1.00 0.00 H new ATOM 1104 N GLU A 76 -4.545 -14.537 0.583 1.00 0.00 N ATOM 1105 CA GLU A 76 -3.892 -15.402 -0.386 1.00 0.00 C ATOM 1106 C GLU A 76 -3.758 -14.638 -1.727 1.00 0.00 C ATOM 1107 O GLU A 76 -3.032 -15.030 -2.637 1.00 0.00 O ATOM 1108 CB GLU A 76 -4.714 -16.683 -0.534 1.00 0.00 C ATOM 1109 CG GLU A 76 -4.123 -17.751 -1.426 1.00 0.00 C ATOM 1110 CD GLU A 76 -5.034 -18.941 -1.542 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -5.037 -19.800 -0.631 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -5.778 -19.044 -2.543 1.00 0.00 O ATOM 0 H GLU A 76 -5.472 -14.865 0.854 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.891 -15.681 -0.057 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.867 -17.109 0.457 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.697 -16.417 -0.922 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.937 -17.336 -2.417 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.159 -18.067 -1.027 1.00 0.00 H new ATOM 1119 N ASP A 77 -4.426 -13.511 -1.780 1.00 0.00 N ATOM 1120 CA ASP A 77 -4.426 -12.645 -2.957 1.00 0.00 C ATOM 1121 C ASP A 77 -3.799 -11.340 -2.614 1.00 0.00 C ATOM 1122 O ASP A 77 -3.648 -10.473 -3.468 1.00 0.00 O ATOM 1123 CB ASP A 77 -5.840 -12.371 -3.481 1.00 0.00 C ATOM 1124 CG ASP A 77 -6.514 -13.573 -4.062 1.00 0.00 C ATOM 1125 OD1 ASP A 77 -7.199 -14.288 -3.325 1.00 0.00 O ATOM 1126 OD2 ASP A 77 -6.404 -13.812 -5.288 1.00 0.00 O ATOM 0 H ASP A 77 -4.992 -13.158 -1.008 1.00 0.00 H new ATOM 0 HA ASP A 77 -3.865 -13.164 -3.734 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -6.450 -11.983 -2.666 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.791 -11.591 -4.241 1.00 0.00 H new ATOM 1131 N LEU A 78 -3.396 -11.208 -1.378 1.00 0.00 N ATOM 1132 CA LEU A 78 -2.862 -10.004 -0.882 1.00 0.00 C ATOM 1133 C LEU A 78 -1.383 -9.982 -1.203 1.00 0.00 C ATOM 1134 O LEU A 78 -0.557 -10.612 -0.526 1.00 0.00 O ATOM 1135 CB LEU A 78 -3.071 -9.985 0.605 1.00 0.00 C ATOM 1136 CG LEU A 78 -2.649 -8.762 1.320 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -3.627 -7.629 1.120 1.00 0.00 C ATOM 1138 CD2 LEU A 78 -2.387 -9.033 2.762 1.00 0.00 C ATOM 0 H LEU A 78 -3.438 -11.959 -0.689 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.344 -9.134 -1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.131 -10.145 0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.536 -10.832 1.035 1.00 0.00 H new ATOM 0 HG LEU A 78 -1.705 -8.439 0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.280 -6.749 1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.701 -7.395 0.058 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.607 -7.924 1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.079 -8.111 3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.295 -9.410 3.232 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.595 -9.776 2.855 1.00 0.00 H new ATOM 1150 N GLU A 79 -1.082 -9.339 -2.249 1.00 0.00 N ATOM 1151 CA GLU A 79 0.216 -9.217 -2.751 1.00 0.00 C ATOM 1152 C GLU A 79 0.343 -7.843 -3.276 1.00 0.00 C ATOM 1153 O GLU A 79 -0.586 -7.338 -3.873 1.00 0.00 O ATOM 1154 CB GLU A 79 0.357 -10.168 -3.905 1.00 0.00 C ATOM 1155 CG GLU A 79 1.658 -10.099 -4.632 1.00 0.00 C ATOM 1156 CD GLU A 79 2.825 -10.519 -3.794 1.00 0.00 C ATOM 1157 OE1 GLU A 79 3.222 -9.768 -2.874 1.00 0.00 O ATOM 1158 OE2 GLU A 79 3.363 -11.614 -4.018 1.00 0.00 O ATOM 0 H GLU A 79 -1.778 -8.853 -2.814 1.00 0.00 H new ATOM 0 HA GLU A 79 0.965 -9.427 -1.987 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.219 -11.184 -3.536 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.448 -9.975 -4.614 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.607 -10.734 -5.516 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.818 -9.079 -4.981 1.00 0.00 H new ATOM 1165 N CYS A 80 1.477 -7.264 -3.113 1.00 0.00 N ATOM 1166 CA CYS A 80 1.729 -5.965 -3.647 1.00 0.00 C ATOM 1167 C CYS A 80 2.179 -6.155 -5.049 1.00 0.00 C ATOM 1168 O CYS A 80 3.365 -6.055 -5.377 1.00 0.00 O ATOM 1169 CB CYS A 80 2.765 -5.200 -2.826 1.00 0.00 C ATOM 1170 SG CYS A 80 3.284 -3.621 -3.530 1.00 0.00 S ATOM 0 H CYS A 80 2.261 -7.674 -2.606 1.00 0.00 H new ATOM 0 HA CYS A 80 0.823 -5.360 -3.610 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.357 -5.020 -1.831 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.645 -5.831 -2.701 1.00 0.00 H new ATOM 0 HG CYS A 80 4.565 -3.643 -3.748 1.00 0.00 H new ATOM 1176 N ASN A 81 1.254 -6.534 -5.869 1.00 0.00 N ATOM 1177 CA ASN A 81 1.597 -6.829 -7.219 1.00 0.00 C ATOM 1178 C ASN A 81 1.339 -5.609 -8.043 1.00 0.00 C ATOM 1179 O ASN A 81 0.953 -4.581 -7.529 1.00 0.00 O ATOM 1180 CB ASN A 81 0.816 -8.007 -7.788 1.00 0.00 C ATOM 1181 CG ASN A 81 -0.657 -7.670 -7.950 1.00 0.00 C ATOM 1182 OD1 ASN A 81 -1.045 -7.104 -8.858 1.00 0.00 O ATOM 1183 ND2 ASN A 81 -1.432 -8.010 -7.083 1.00 0.00 N ATOM 0 H ASN A 81 0.268 -6.645 -5.632 1.00 0.00 H new ATOM 0 HA ASN A 81 2.649 -7.113 -7.246 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.234 -8.290 -8.754 1.00 0.00 H new ATOM 0 HB3 ASN A 81 0.923 -8.869 -7.129 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.424 -7.789 -7.170 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.093 -8.518 -6.266 1.00 0.00 H new ATOM 1190 N GLU A 82 1.531 -5.756 -9.295 1.00 0.00 N ATOM 1191 CA GLU A 82 1.317 -4.748 -10.295 1.00 0.00 C ATOM 1192 C GLU A 82 -0.088 -4.177 -10.278 1.00 0.00 C ATOM 1193 O GLU A 82 -0.240 -2.998 -10.260 1.00 0.00 O ATOM 1194 CB GLU A 82 1.577 -5.360 -11.591 1.00 0.00 C ATOM 1195 CG GLU A 82 3.050 -5.461 -11.952 1.00 0.00 C ATOM 1196 CD GLU A 82 3.868 -6.307 -11.001 1.00 0.00 C ATOM 1197 OE1 GLU A 82 3.597 -7.516 -10.884 1.00 0.00 O ATOM 1198 OE2 GLU A 82 4.766 -5.771 -10.314 1.00 0.00 O ATOM 0 H GLU A 82 1.864 -6.635 -9.691 1.00 0.00 H new ATOM 0 HA GLU A 82 1.987 -3.913 -10.091 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.143 -6.360 -11.601 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.065 -4.783 -12.361 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.138 -5.876 -12.956 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.474 -4.457 -11.983 1.00 0.00 H new ATOM 1205 N ASN A 83 -1.080 -5.043 -10.317 1.00 0.00 N ATOM 1206 CA ASN A 83 -2.501 -4.692 -10.176 1.00 0.00 C ATOM 1207 C ASN A 83 -2.677 -3.854 -8.959 1.00 0.00 C ATOM 1208 O ASN A 83 -3.235 -2.741 -9.028 1.00 0.00 O ATOM 1209 CB ASN A 83 -3.374 -5.976 -10.023 1.00 0.00 C ATOM 1210 CG ASN A 83 -4.839 -5.684 -9.695 1.00 0.00 C ATOM 1211 OD1 ASN A 83 -5.640 -5.416 -10.580 1.00 0.00 O ATOM 1212 ND2 ASN A 83 -5.208 -5.786 -8.437 1.00 0.00 N ATOM 0 H ASN A 83 -0.928 -6.043 -10.451 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.815 -4.150 -11.068 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.325 -6.551 -10.948 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.952 -6.601 -9.236 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.184 -5.640 -8.178 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.518 -6.011 -7.720 1.00 0.00 H new ATOM 1219 N VAL A 84 -2.153 -4.354 -7.838 1.00 0.00 N ATOM 1220 CA VAL A 84 -2.269 -3.619 -6.592 1.00 0.00 C ATOM 1221 C VAL A 84 -1.574 -2.266 -6.699 1.00 0.00 C ATOM 1222 O VAL A 84 -2.172 -1.226 -6.411 1.00 0.00 O ATOM 1223 CB VAL A 84 -1.736 -4.438 -5.413 1.00 0.00 C ATOM 1224 CG1 VAL A 84 -1.662 -3.618 -4.139 1.00 0.00 C ATOM 1225 CG2 VAL A 84 -2.633 -5.610 -5.200 1.00 0.00 C ATOM 0 H VAL A 84 -1.657 -5.243 -7.773 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.326 -3.435 -6.402 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.724 -4.763 -5.652 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.279 -4.238 -3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.997 -2.768 -4.291 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.657 -3.257 -3.880 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.265 -6.203 -4.362 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.642 -5.261 -4.982 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.649 -6.225 -6.100 1.00 0.00 H new ATOM 1235 N LYS A 85 -0.349 -2.289 -7.186 1.00 0.00 N ATOM 1236 CA LYS A 85 0.445 -1.088 -7.355 1.00 0.00 C ATOM 1237 C LYS A 85 -0.221 -0.082 -8.261 1.00 0.00 C ATOM 1238 O LYS A 85 -0.303 1.074 -7.918 1.00 0.00 O ATOM 1239 CB LYS A 85 1.866 -1.419 -7.808 1.00 0.00 C ATOM 1240 CG LYS A 85 2.705 -2.041 -6.696 1.00 0.00 C ATOM 1241 CD LYS A 85 4.135 -2.364 -7.119 1.00 0.00 C ATOM 1242 CE LYS A 85 4.163 -3.314 -8.272 1.00 0.00 C ATOM 1243 NZ LYS A 85 5.522 -3.768 -8.636 1.00 0.00 N ATOM 0 H LYS A 85 0.125 -3.144 -7.477 1.00 0.00 H new ATOM 0 HA LYS A 85 0.519 -0.614 -6.376 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.823 -2.105 -8.654 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.353 -0.509 -8.160 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.731 -1.358 -5.847 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.220 -2.956 -6.355 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.652 -1.444 -7.392 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.676 -2.796 -6.277 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.552 -4.183 -8.030 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.706 -2.834 -9.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.464 -4.436 -9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.099 -2.949 -8.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.961 -4.239 -7.819 1.00 0.00 H new ATOM 1257 N HIS A 86 -0.757 -0.557 -9.356 1.00 0.00 N ATOM 1258 CA HIS A 86 -1.454 0.250 -10.339 1.00 0.00 C ATOM 1259 C HIS A 86 -2.582 0.996 -9.659 1.00 0.00 C ATOM 1260 O HIS A 86 -2.671 2.229 -9.722 1.00 0.00 O ATOM 1261 CB HIS A 86 -1.995 -0.653 -11.483 1.00 0.00 C ATOM 1262 CG HIS A 86 -2.743 0.058 -12.596 1.00 0.00 C ATOM 1263 ND1 HIS A 86 -3.544 -0.608 -13.493 1.00 0.00 N ATOM 1264 CD2 HIS A 86 -2.809 1.368 -12.946 1.00 0.00 C ATOM 1265 CE1 HIS A 86 -4.074 0.246 -14.338 1.00 0.00 C ATOM 1266 NE2 HIS A 86 -3.646 1.458 -14.031 1.00 0.00 N ATOM 0 H HIS A 86 -0.722 -1.547 -9.601 1.00 0.00 H new ATOM 0 HA HIS A 86 -0.767 0.973 -10.778 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -1.155 -1.190 -11.923 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.658 -1.400 -11.046 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -2.298 2.187 -12.461 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -4.746 -0.000 -15.147 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -3.896 2.318 -14.519 1.00 0.00 H new ATOM 1274 N LYS A 87 -3.386 0.259 -8.948 1.00 0.00 N ATOM 1275 CA LYS A 87 -4.529 0.830 -8.279 1.00 0.00 C ATOM 1276 C LYS A 87 -4.100 1.742 -7.155 1.00 0.00 C ATOM 1277 O LYS A 87 -4.776 2.705 -6.841 1.00 0.00 O ATOM 1278 CB LYS A 87 -5.455 -0.260 -7.778 1.00 0.00 C ATOM 1279 CG LYS A 87 -6.095 -1.050 -8.899 1.00 0.00 C ATOM 1280 CD LYS A 87 -6.967 -2.145 -8.353 1.00 0.00 C ATOM 1281 CE LYS A 87 -7.748 -2.844 -9.453 1.00 0.00 C ATOM 1282 NZ LYS A 87 -8.765 -1.956 -10.058 1.00 0.00 N ATOM 0 H LYS A 87 -3.273 -0.746 -8.814 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.079 1.434 -9.001 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -4.894 -0.939 -7.136 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -6.236 0.188 -7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -6.689 -0.384 -9.525 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.321 -1.479 -9.535 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.350 -2.873 -7.826 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.661 -1.728 -7.623 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -7.059 -3.186 -10.226 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.236 -3.729 -9.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.437 -2.525 -10.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.276 -1.451 -9.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -8.298 -1.267 -10.682 1.00 0.00 H new ATOM 1296 N THR A 88 -2.949 1.463 -6.620 1.00 0.00 N ATOM 1297 CA THR A 88 -2.430 2.162 -5.530 1.00 0.00 C ATOM 1298 C THR A 88 -1.978 3.507 -5.928 1.00 0.00 C ATOM 1299 O THR A 88 -2.504 4.467 -5.450 1.00 0.00 O ATOM 1300 CB THR A 88 -1.298 1.389 -4.909 1.00 0.00 C ATOM 1301 OG1 THR A 88 -1.824 0.253 -4.237 1.00 0.00 O ATOM 1302 CG2 THR A 88 -0.496 2.258 -3.987 1.00 0.00 C ATOM 0 H THR A 88 -2.342 0.715 -6.956 1.00 0.00 H new ATOM 0 HA THR A 88 -3.224 2.280 -4.792 1.00 0.00 H new ATOM 0 HB THR A 88 -0.618 1.049 -5.690 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.076 -0.428 -4.895 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.316 1.675 -3.552 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.081 3.096 -4.546 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.139 2.635 -3.192 1.00 0.00 H new ATOM 1310 N LYS A 89 -1.043 3.582 -6.835 1.00 0.00 N ATOM 1311 CA LYS A 89 -0.543 4.850 -7.243 1.00 0.00 C ATOM 1312 C LYS A 89 -1.617 5.704 -7.905 1.00 0.00 C ATOM 1313 O LYS A 89 -1.642 6.917 -7.732 1.00 0.00 O ATOM 1314 CB LYS A 89 0.755 4.721 -8.054 1.00 0.00 C ATOM 1315 CG LYS A 89 0.793 3.548 -8.986 1.00 0.00 C ATOM 1316 CD LYS A 89 -0.044 3.704 -10.176 1.00 0.00 C ATOM 1317 CE LYS A 89 0.633 4.606 -11.213 1.00 0.00 C ATOM 1318 NZ LYS A 89 -0.096 4.656 -12.489 1.00 0.00 N ATOM 0 H LYS A 89 -0.618 2.779 -7.299 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.262 5.401 -6.345 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.899 5.633 -8.633 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.594 4.647 -7.363 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.823 3.379 -9.299 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.474 2.657 -8.445 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.243 2.726 -10.615 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.007 4.129 -9.894 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.719 5.615 -10.809 1.00 0.00 H new ATOM 0 HE3 LYS A 89 1.647 4.248 -11.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.433 5.239 -13.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.201 3.693 -12.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -1.037 5.072 -12.335 1.00 0.00 H new ATOM 1332 N GLU A 90 -2.543 5.044 -8.624 1.00 0.00 N ATOM 1333 CA GLU A 90 -3.702 5.761 -9.184 1.00 0.00 C ATOM 1334 C GLU A 90 -4.594 6.308 -8.071 1.00 0.00 C ATOM 1335 O GLU A 90 -5.075 7.471 -8.143 1.00 0.00 O ATOM 1336 CB GLU A 90 -4.519 4.893 -10.133 1.00 0.00 C ATOM 1337 CG GLU A 90 -3.808 4.568 -11.426 1.00 0.00 C ATOM 1338 CD GLU A 90 -3.354 5.805 -12.143 1.00 0.00 C ATOM 1339 OE1 GLU A 90 -4.159 6.436 -12.844 1.00 0.00 O ATOM 1340 OE2 GLU A 90 -2.177 6.158 -12.028 1.00 0.00 O ATOM 0 H GLU A 90 -2.515 4.045 -8.827 1.00 0.00 H new ATOM 0 HA GLU A 90 -3.304 6.594 -9.764 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.778 3.963 -9.628 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.455 5.403 -10.362 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.947 3.933 -11.217 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.475 3.998 -12.073 1.00 0.00 H new ATOM 1347 N TYR A 91 -4.730 5.516 -6.999 1.00 0.00 N ATOM 1348 CA TYR A 91 -5.522 5.903 -5.851 1.00 0.00 C ATOM 1349 C TYR A 91 -4.845 7.062 -5.191 1.00 0.00 C ATOM 1350 O TYR A 91 -5.471 8.053 -4.916 1.00 0.00 O ATOM 1351 CB TYR A 91 -5.664 4.725 -4.857 1.00 0.00 C ATOM 1352 CG TYR A 91 -6.023 5.114 -3.436 1.00 0.00 C ATOM 1353 CD1 TYR A 91 -7.204 5.763 -3.146 1.00 0.00 C ATOM 1354 CD2 TYR A 91 -5.157 4.823 -2.382 1.00 0.00 C ATOM 1355 CE1 TYR A 91 -7.522 6.121 -1.860 1.00 0.00 C ATOM 1356 CE2 TYR A 91 -5.462 5.174 -1.094 1.00 0.00 C ATOM 1357 CZ TYR A 91 -6.654 5.831 -0.832 1.00 0.00 C ATOM 1358 OH TYR A 91 -6.980 6.194 0.462 1.00 0.00 O ATOM 0 H TYR A 91 -4.293 4.598 -6.915 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.525 6.183 -6.172 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.427 4.044 -5.233 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.725 4.172 -4.838 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.892 5.994 -3.946 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.228 4.311 -2.586 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.452 6.630 -1.655 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.780 4.941 -0.290 1.00 0.00 H new ATOM 0 HH TYR A 91 -6.263 5.917 1.070 1.00 0.00 H new ATOM 1368 N ILE A 92 -3.553 6.903 -4.963 1.00 0.00 N ATOM 1369 CA ILE A 92 -2.686 7.924 -4.377 1.00 0.00 C ATOM 1370 C ILE A 92 -2.822 9.239 -5.089 1.00 0.00 C ATOM 1371 O ILE A 92 -3.111 10.236 -4.450 1.00 0.00 O ATOM 1372 CB ILE A 92 -1.205 7.488 -4.426 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.965 6.235 -3.572 1.00 0.00 C ATOM 1374 CG2 ILE A 92 -0.278 8.641 -4.019 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -0.671 6.489 -2.153 1.00 0.00 C ATOM 0 H ILE A 92 -3.059 6.038 -5.185 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.001 8.044 -3.340 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.965 7.225 -5.456 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.847 5.598 -3.635 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.136 5.675 -4.003 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.759 8.307 -4.062 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.418 9.479 -4.702 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.515 8.957 -3.003 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.518 5.541 -1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.230 7.096 -2.071 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.508 7.018 -1.697 1.00 0.00 H new ATOM 1387 N LYS A 93 -2.602 9.242 -6.392 1.00 0.00 N ATOM 1388 CA LYS A 93 -2.701 10.457 -7.161 1.00 0.00 C ATOM 1389 C LYS A 93 -4.048 11.090 -6.939 1.00 0.00 C ATOM 1390 O LYS A 93 -4.134 12.213 -6.434 1.00 0.00 O ATOM 1391 CB LYS A 93 -2.457 10.207 -8.655 1.00 0.00 C ATOM 1392 CG LYS A 93 -1.044 9.731 -8.982 1.00 0.00 C ATOM 1393 CD LYS A 93 -0.844 9.486 -10.476 1.00 0.00 C ATOM 1394 CE LYS A 93 -1.008 10.761 -11.296 1.00 0.00 C ATOM 1395 NZ LYS A 93 -0.771 10.526 -12.731 1.00 0.00 N ATOM 0 H LYS A 93 -2.354 8.414 -6.934 1.00 0.00 H new ATOM 0 HA LYS A 93 -1.923 11.140 -6.820 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.171 9.464 -9.010 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -2.656 11.127 -9.204 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.324 10.474 -8.639 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.838 8.811 -8.435 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.151 9.073 -10.645 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.561 8.740 -10.819 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.014 11.157 -11.154 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -0.313 11.518 -10.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.892 11.417 -13.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.197 10.172 -12.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.450 9.822 -13.084 1.00 0.00 H new ATOM 1409 N LYS A 94 -5.085 10.303 -7.119 1.00 0.00 N ATOM 1410 CA LYS A 94 -6.435 10.827 -7.071 1.00 0.00 C ATOM 1411 C LYS A 94 -6.717 11.330 -5.662 1.00 0.00 C ATOM 1412 O LYS A 94 -7.393 12.354 -5.473 1.00 0.00 O ATOM 1413 CB LYS A 94 -7.445 9.736 -7.541 1.00 0.00 C ATOM 1414 CG LYS A 94 -8.916 10.148 -7.770 1.00 0.00 C ATOM 1415 CD LYS A 94 -9.674 10.433 -6.479 1.00 0.00 C ATOM 1416 CE LYS A 94 -11.144 10.703 -6.730 1.00 0.00 C ATOM 1417 NZ LYS A 94 -11.836 9.513 -7.277 1.00 0.00 N ATOM 0 H LYS A 94 -5.022 9.301 -7.299 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.549 11.670 -7.753 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.069 9.315 -8.473 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.436 8.934 -6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.942 11.036 -8.401 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.427 9.354 -8.315 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -9.572 9.583 -5.804 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.228 11.293 -5.979 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -11.622 11.005 -5.798 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.247 11.535 -7.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.864 9.628 -7.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.604 9.410 -8.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -11.526 8.664 -6.762 1.00 0.00 H new ATOM 1431 N TYR A 95 -6.153 10.638 -4.696 1.00 0.00 N ATOM 1432 CA TYR A 95 -6.290 10.987 -3.345 1.00 0.00 C ATOM 1433 C TYR A 95 -5.634 12.330 -3.055 1.00 0.00 C ATOM 1434 O TYR A 95 -6.259 13.213 -2.535 1.00 0.00 O ATOM 1435 CB TYR A 95 -5.694 9.884 -2.498 1.00 0.00 C ATOM 1436 CG TYR A 95 -5.633 10.236 -1.058 1.00 0.00 C ATOM 1437 CD1 TYR A 95 -6.775 10.196 -0.278 1.00 0.00 C ATOM 1438 CD2 TYR A 95 -4.455 10.657 -0.482 1.00 0.00 C ATOM 1439 CE1 TYR A 95 -6.745 10.570 1.038 1.00 0.00 C ATOM 1440 CE2 TYR A 95 -4.415 11.027 0.828 1.00 0.00 C ATOM 1441 CZ TYR A 95 -5.568 10.989 1.589 1.00 0.00 C ATOM 1442 OH TYR A 95 -5.532 11.356 2.909 1.00 0.00 O ATOM 0 H TYR A 95 -5.582 9.808 -4.856 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.347 11.097 -3.101 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.286 8.977 -2.621 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.689 9.660 -2.856 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -7.705 9.864 -0.715 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.553 10.694 -1.075 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.644 10.534 1.635 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.484 11.349 1.271 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.171 10.618 3.444 1.00 0.00 H new ATOM 1452 N MET A 96 -4.387 12.480 -3.429 1.00 0.00 N ATOM 1453 CA MET A 96 -3.649 13.691 -3.157 1.00 0.00 C ATOM 1454 C MET A 96 -4.291 14.899 -3.834 1.00 0.00 C ATOM 1455 O MET A 96 -4.151 16.031 -3.361 1.00 0.00 O ATOM 1456 CB MET A 96 -2.213 13.563 -3.580 1.00 0.00 C ATOM 1457 CG MET A 96 -1.484 12.345 -3.038 1.00 0.00 C ATOM 1458 SD MET A 96 -1.418 12.301 -1.263 1.00 0.00 S ATOM 1459 CE MET A 96 -0.554 13.820 -0.956 1.00 0.00 C ATOM 0 H MET A 96 -3.855 11.768 -3.930 1.00 0.00 H new ATOM 0 HA MET A 96 -3.677 13.847 -2.079 1.00 0.00 H new ATOM 0 HB2 MET A 96 -2.173 13.536 -4.669 1.00 0.00 H new ATOM 0 HB3 MET A 96 -1.677 14.458 -3.264 1.00 0.00 H new ATOM 0 HG2 MET A 96 -1.978 11.443 -3.399 1.00 0.00 H new ATOM 0 HG3 MET A 96 -0.468 12.332 -3.433 1.00 0.00 H new ATOM 0 HE1 MET A 96 -0.115 13.794 0.041 1.00 0.00 H new ATOM 0 HE2 MET A 96 0.235 13.946 -1.697 1.00 0.00 H new ATOM 0 HE3 MET A 96 -1.251 14.655 -1.023 1.00 0.00 H new ATOM 1469 N GLN A 97 -5.028 14.652 -4.920 1.00 0.00 N ATOM 1470 CA GLN A 97 -5.696 15.743 -5.630 1.00 0.00 C ATOM 1471 C GLN A 97 -6.775 16.401 -4.758 1.00 0.00 C ATOM 1472 O GLN A 97 -7.160 17.545 -4.995 1.00 0.00 O ATOM 1473 CB GLN A 97 -6.307 15.307 -6.966 1.00 0.00 C ATOM 1474 CG GLN A 97 -5.401 14.490 -7.881 1.00 0.00 C ATOM 1475 CD GLN A 97 -3.989 15.017 -8.003 1.00 0.00 C ATOM 1476 OE1 GLN A 97 -3.674 15.856 -8.849 1.00 0.00 O ATOM 1477 NE2 GLN A 97 -3.111 14.469 -7.197 1.00 0.00 N ATOM 0 H GLN A 97 -5.175 13.725 -5.320 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.915 16.471 -5.850 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.203 14.722 -6.759 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.626 16.199 -7.505 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.362 13.466 -7.511 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -5.848 14.453 -8.874 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.411 13.778 -6.510 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -2.128 14.734 -7.258 1.00 0.00 H new ATOM 1486 N LYS A 98 -7.230 15.690 -3.732 1.00 0.00 N ATOM 1487 CA LYS A 98 -8.287 16.198 -2.867 1.00 0.00 C ATOM 1488 C LYS A 98 -7.746 17.228 -1.863 1.00 0.00 C ATOM 1489 O LYS A 98 -8.511 17.986 -1.256 1.00 0.00 O ATOM 1490 CB LYS A 98 -8.993 15.059 -2.101 1.00 0.00 C ATOM 1491 CG LYS A 98 -8.223 14.517 -0.909 1.00 0.00 C ATOM 1492 CD LYS A 98 -9.105 14.298 0.310 1.00 0.00 C ATOM 1493 CE LYS A 98 -9.723 15.602 0.860 1.00 0.00 C ATOM 1494 NZ LYS A 98 -10.798 16.206 0.020 1.00 0.00 N ATOM 0 H LYS A 98 -6.885 14.764 -3.480 1.00 0.00 H new ATOM 0 HA LYS A 98 -9.013 16.685 -3.518 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.962 15.419 -1.756 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.186 14.240 -2.794 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -7.751 13.574 -1.185 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.422 15.211 -0.653 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.906 13.606 0.050 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -8.516 13.824 1.095 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -10.130 15.401 1.851 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.927 16.336 0.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.460 16.730 0.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.374 16.857 -0.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.310 15.453 -0.482 1.00 0.00 H new ATOM 1508 N PHE A 99 -6.437 17.216 -1.652 1.00 0.00 N ATOM 1509 CA PHE A 99 -5.818 18.142 -0.713 1.00 0.00 C ATOM 1510 C PHE A 99 -5.645 19.510 -1.332 1.00 0.00 C ATOM 1511 O PHE A 99 -5.857 20.532 -0.684 1.00 0.00 O ATOM 1512 CB PHE A 99 -4.464 17.632 -0.210 1.00 0.00 C ATOM 1513 CG PHE A 99 -4.523 16.430 0.686 1.00 0.00 C ATOM 1514 CD1 PHE A 99 -5.239 16.473 1.867 1.00 0.00 C ATOM 1515 CD2 PHE A 99 -3.834 15.278 0.370 1.00 0.00 C ATOM 1516 CE1 PHE A 99 -5.279 15.380 2.717 1.00 0.00 C ATOM 1517 CE2 PHE A 99 -3.868 14.190 1.215 1.00 0.00 C ATOM 1518 CZ PHE A 99 -4.597 14.250 2.388 1.00 0.00 C ATOM 0 H PHE A 99 -5.787 16.580 -2.114 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.492 18.217 0.140 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.842 17.391 -1.072 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.967 18.440 0.326 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.775 17.372 2.131 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.264 15.228 -0.546 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.847 15.425 3.634 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.326 13.291 0.961 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.625 13.395 3.047 1.00 0.00 H new ATOM 1528 N GLY A 100 -5.270 19.522 -2.572 1.00 0.00 N ATOM 1529 CA GLY A 100 -5.039 20.733 -3.259 1.00 0.00 C ATOM 1530 C GLY A 100 -3.579 20.881 -3.470 1.00 0.00 C ATOM 1531 O GLY A 100 -2.919 19.926 -3.831 1.00 0.00 O ATOM 0 H GLY A 100 -5.117 18.683 -3.131 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.562 20.732 -4.215 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.426 21.575 -2.685 1.00 0.00 H new ATOM 1535 N ALA A 101 -3.069 22.024 -3.180 1.00 0.00 N ATOM 1536 CA ALA A 101 -1.659 22.294 -3.355 1.00 0.00 C ATOM 1537 C ALA A 101 -0.825 21.597 -2.290 1.00 0.00 C ATOM 1538 O ALA A 101 0.175 20.953 -2.596 1.00 0.00 O ATOM 1539 CB ALA A 101 -1.393 23.785 -3.343 1.00 0.00 C ATOM 0 H ALA A 101 -3.606 22.810 -2.813 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.365 21.896 -4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.326 23.965 -3.476 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -1.945 24.260 -4.154 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.716 24.205 -2.390 1.00 0.00 H new ATOM 1545 N VAL A 102 -1.248 21.677 -1.050 1.00 0.00 N ATOM 1546 CA VAL A 102 -0.451 21.122 0.032 1.00 0.00 C ATOM 1547 C VAL A 102 -1.221 19.971 0.663 1.00 0.00 C ATOM 1548 O VAL A 102 -2.448 19.921 0.595 1.00 0.00 O ATOM 1549 CB VAL A 102 -0.116 22.170 1.121 1.00 0.00 C ATOM 1550 CG1 VAL A 102 1.146 21.834 1.880 1.00 0.00 C ATOM 1551 CG2 VAL A 102 -0.087 23.583 0.580 1.00 0.00 C ATOM 0 H VAL A 102 -2.124 22.113 -0.762 1.00 0.00 H new ATOM 0 HA VAL A 102 0.494 20.781 -0.390 1.00 0.00 H new ATOM 0 HB VAL A 102 -0.936 22.126 1.838 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.334 22.601 2.631 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.029 20.867 2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.986 21.791 1.187 1.00 0.00 H new ATOM 0 HG21 VAL A 102 0.153 24.276 1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.670 23.658 -0.200 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -1.063 23.833 0.164 1.00 0.00 H new ATOM 1561 N TYR A 103 -0.499 19.068 1.264 1.00 0.00 N ATOM 1562 CA TYR A 103 -1.060 17.944 1.928 1.00 0.00 C ATOM 1563 C TYR A 103 -1.521 18.366 3.300 1.00 0.00 C ATOM 1564 O TYR A 103 -0.724 18.543 4.236 1.00 0.00 O ATOM 1565 CB TYR A 103 -0.069 16.752 1.953 1.00 0.00 C ATOM 1566 CG TYR A 103 -0.339 15.693 3.012 1.00 0.00 C ATOM 1567 CD1 TYR A 103 -1.609 15.265 3.298 1.00 0.00 C ATOM 1568 CD2 TYR A 103 0.695 15.156 3.737 1.00 0.00 C ATOM 1569 CE1 TYR A 103 -1.853 14.350 4.282 1.00 0.00 C ATOM 1570 CE2 TYR A 103 0.470 14.221 4.717 1.00 0.00 C ATOM 1571 CZ TYR A 103 -0.803 13.825 4.993 1.00 0.00 C ATOM 1572 OH TYR A 103 -1.033 12.921 6.011 1.00 0.00 O ATOM 0 H TYR A 103 0.520 19.101 1.302 1.00 0.00 H new ATOM 0 HA TYR A 103 -1.930 17.583 1.380 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.081 16.272 0.974 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.937 17.143 2.104 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -2.438 15.661 2.731 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.706 15.475 3.533 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.865 14.042 4.499 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.300 13.801 5.267 1.00 0.00 H new ATOM 0 HH TYR A 103 -0.179 12.651 6.408 1.00 0.00 H new ATOM 1582 N LYS A 104 -2.787 18.582 3.384 1.00 0.00 N ATOM 1583 CA LYS A 104 -3.431 18.975 4.588 1.00 0.00 C ATOM 1584 C LYS A 104 -4.344 17.827 5.056 1.00 0.00 C ATOM 1585 O LYS A 104 -5.479 17.758 4.647 1.00 0.00 O ATOM 1586 CB LYS A 104 -4.252 20.246 4.309 1.00 0.00 C ATOM 1587 CG LYS A 104 -3.419 21.413 3.769 1.00 0.00 C ATOM 1588 CD LYS A 104 -4.280 22.608 3.350 1.00 0.00 C ATOM 1589 CE LYS A 104 -5.240 22.257 2.210 1.00 0.00 C ATOM 1590 NZ LYS A 104 -6.029 23.430 1.762 1.00 0.00 N ATOM 0 H LYS A 104 -3.423 18.487 2.592 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.703 19.187 5.371 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -5.038 20.010 3.591 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -4.745 20.559 5.230 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -2.709 21.731 4.532 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.836 21.073 2.913 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.852 22.961 4.209 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -3.633 23.428 3.039 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -4.672 21.860 1.368 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -5.918 21.469 2.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.665 23.146 0.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.591 23.794 2.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.385 24.173 1.424 1.00 0.00 H new ATOM 1604 N PRO A 105 -3.841 16.889 5.889 1.00 0.00 N ATOM 1605 CA PRO A 105 -4.602 15.692 6.326 1.00 0.00 C ATOM 1606 C PRO A 105 -5.882 16.024 7.089 1.00 0.00 C ATOM 1607 O PRO A 105 -6.758 15.183 7.222 1.00 0.00 O ATOM 1608 CB PRO A 105 -3.636 14.905 7.182 1.00 0.00 C ATOM 1609 CG PRO A 105 -2.591 15.880 7.557 1.00 0.00 C ATOM 1610 CD PRO A 105 -2.505 16.900 6.463 1.00 0.00 C ATOM 0 HA PRO A 105 -4.953 15.128 5.462 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -4.130 14.495 8.063 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -3.214 14.063 6.632 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -2.836 16.357 8.506 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.632 15.380 7.690 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -2.242 17.884 6.851 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.748 16.635 5.725 1.00 0.00 H new