USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=31 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 37 TYR OH : rot -130:sc= -1.59! USER MOD Set 1.2: A 93 LYS NZ :NH3+ -159:sc= -0.174 (180deg=-0.599) USER MOD Set 2.1: A 26 MET CE :methyl -129:sc= -2.54! (180deg=-3.11!) USER MOD Set 2.2: A 80 CYS SG : rot -160:sc= -0.165 USER MOD Set 2.3: A 88 THR OG1 : rot 80:sc= -1.24 USER MOD Set 3.1: A 27 SER OG : rot -19:sc= 1.2 USER MOD Set 3.2: A 61 THR OG1 : rot 69:sc= 1.06 USER MOD Set 4.1: A 59 LYS NZ :NH3+ 176:sc= 0.764 (180deg=-0.107) USER MOD Set 4.2: A 95 TYR OH : rot -30:sc= 0.384 USER MOD Set 5.1: A 48 THR OG1 : rot 180:sc= -0.0498 USER MOD Set 5.2: A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 169:sc= 1.27 (180deg=1.07) USER MOD Single : A 18 SER OG : rot -92:sc= 0.857 USER MOD Single : A 19 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0108) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.32) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 CYS SG : rot 73:sc= 0.456 USER MOD Single : A 35 ASN : amide:sc= 1.97 K(o=2,f=-4.9!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot -88:sc= -4.21! USER MOD Single : A 43 LYS NZ :NH3+ -162:sc= -0.0592 (180deg=-0.399) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 54 LYS NZ :NH3+ -162:sc= -0.0389 (180deg=-0.353) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= 1.24 K(o=1.2,f=-0.011) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 171:sc=-0.000927 (180deg=-0.106) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 CYS SG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -167:sc= -0.0353 (180deg=-0.217) USER MOD Single : A 74 ASN : amide:sc= -0.0219 K(o=-0.022,f=-0.99) USER MOD Single : A 81 ASN : amide:sc= -3.65 K(o=-3.6,f=-16!) USER MOD Single : A 83 ASN : amide:sc= -0.103 K(o=-0.1,f=-1.2!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 HIS : no HD1:sc=-0.00258 X(o=-0.0026,f=-0.071) USER MOD Single : A 87 LYS NZ :NH3+ -162:sc= -0.147 (180deg=-0.701!) USER MOD Single : A 89 LYS NZ :NH3+ 158:sc= -0.101 (180deg=-0.491) USER MOD Single : A 91 TYR OH : rot 165:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0327) USER MOD Single : A 96 MET CE :methyl 166:sc= -2.73 (180deg=-3.05!) USER MOD Single : A 97 GLN : amide:sc= -0.0116 K(o=-0.012,f=-3.8!) USER MOD Single : A 98 LYS NZ :NH3+ -143:sc= -2.5! (180deg=-4.44!) USER MOD Single : A 103 TYR OH : rot 180:sc= -0.292 USER MOD Single : A 104 LYS NZ :NH3+ 149:sc= 1.34 (180deg=-0.346) USER MOD ----------------------------------------------------------------- ATOM 103 N LYS A 17 2.479 -13.548 7.250 1.00 0.00 N ATOM 104 CA LYS A 17 3.688 -13.099 6.669 1.00 0.00 C ATOM 105 C LYS A 17 3.411 -12.249 5.428 1.00 0.00 C ATOM 106 O LYS A 17 4.094 -11.272 5.193 1.00 0.00 O ATOM 107 CB LYS A 17 4.588 -14.292 6.367 1.00 0.00 C ATOM 108 CG LYS A 17 4.772 -15.212 7.583 1.00 0.00 C ATOM 109 CD LYS A 17 5.308 -14.456 8.802 1.00 0.00 C ATOM 110 CE LYS A 17 6.737 -13.963 8.587 1.00 0.00 C ATOM 111 NZ LYS A 17 7.212 -13.139 9.712 1.00 0.00 N ATOM 0 HA LYS A 17 4.214 -12.457 7.376 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.162 -14.865 5.543 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.563 -13.933 6.036 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.818 -15.674 7.835 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.459 -16.018 7.326 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.660 -13.606 9.015 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.277 -15.108 9.675 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.400 -14.819 8.459 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.785 -13.382 7.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.236 -12.981 9.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.718 -12.224 9.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.018 -13.630 10.608 1.00 0.00 H new ATOM 125 N SER A 18 2.362 -12.577 4.685 1.00 0.00 N ATOM 126 CA SER A 18 2.088 -11.876 3.447 1.00 0.00 C ATOM 127 C SER A 18 1.603 -10.446 3.718 1.00 0.00 C ATOM 128 O SER A 18 1.922 -9.569 2.973 1.00 0.00 O ATOM 129 CB SER A 18 1.097 -12.655 2.553 1.00 0.00 C ATOM 130 OG SER A 18 1.090 -12.191 1.201 1.00 0.00 O ATOM 0 H SER A 18 1.697 -13.315 4.917 1.00 0.00 H new ATOM 0 HA SER A 18 3.025 -11.808 2.895 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.356 -13.714 2.568 1.00 0.00 H new ATOM 0 HB3 SER A 18 0.093 -12.567 2.968 1.00 0.00 H new ATOM 0 HG SER A 18 0.399 -11.504 1.095 1.00 0.00 H new ATOM 136 N LYS A 19 0.863 -10.214 4.813 1.00 0.00 N ATOM 137 CA LYS A 19 0.359 -8.871 5.099 1.00 0.00 C ATOM 138 C LYS A 19 1.484 -7.973 5.491 1.00 0.00 C ATOM 139 O LYS A 19 1.551 -6.863 5.024 1.00 0.00 O ATOM 140 CB LYS A 19 -0.746 -8.820 6.190 1.00 0.00 C ATOM 141 CG LYS A 19 -1.915 -9.790 5.994 1.00 0.00 C ATOM 142 CD LYS A 19 -3.182 -9.364 6.736 1.00 0.00 C ATOM 143 CE LYS A 19 -2.974 -9.200 8.227 1.00 0.00 C ATOM 144 NZ LYS A 19 -2.556 -10.454 8.887 1.00 0.00 N ATOM 0 H LYS A 19 0.607 -10.924 5.499 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.107 -8.530 4.174 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.286 -9.024 7.157 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.142 -7.806 6.233 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.135 -9.873 4.930 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.617 -10.781 6.336 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.540 -8.422 6.320 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.963 -10.105 6.564 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -2.219 -8.433 8.402 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -3.899 -8.846 8.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.477 -10.297 9.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.262 -11.195 8.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.634 -10.754 8.511 1.00 0.00 H new ATOM 158 N GLU A 20 2.388 -8.467 6.321 1.00 0.00 N ATOM 159 CA GLU A 20 3.517 -7.668 6.748 1.00 0.00 C ATOM 160 C GLU A 20 4.472 -7.391 5.590 1.00 0.00 C ATOM 161 O GLU A 20 4.931 -6.243 5.414 1.00 0.00 O ATOM 162 CB GLU A 20 4.216 -8.257 7.987 1.00 0.00 C ATOM 163 CG GLU A 20 4.578 -9.721 7.888 1.00 0.00 C ATOM 164 CD GLU A 20 5.173 -10.264 9.161 1.00 0.00 C ATOM 165 OE1 GLU A 20 4.454 -10.357 10.184 1.00 0.00 O ATOM 166 OE2 GLU A 20 6.366 -10.656 9.155 1.00 0.00 O ATOM 0 H GLU A 20 2.360 -9.410 6.708 1.00 0.00 H new ATOM 0 HA GLU A 20 3.132 -6.700 7.068 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.125 -7.687 8.177 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.566 -8.118 8.851 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.686 -10.295 7.636 1.00 0.00 H new ATOM 0 HG3 GLU A 20 5.288 -9.860 7.073 1.00 0.00 H new ATOM 173 N VAL A 21 4.717 -8.407 4.762 1.00 0.00 N ATOM 174 CA VAL A 21 5.546 -8.233 3.590 1.00 0.00 C ATOM 175 C VAL A 21 4.862 -7.271 2.641 1.00 0.00 C ATOM 176 O VAL A 21 5.456 -6.289 2.255 1.00 0.00 O ATOM 177 CB VAL A 21 5.893 -9.576 2.875 1.00 0.00 C ATOM 178 CG1 VAL A 21 6.674 -9.329 1.589 1.00 0.00 C ATOM 179 CG2 VAL A 21 6.710 -10.469 3.791 1.00 0.00 C ATOM 0 H VAL A 21 4.351 -9.351 4.888 1.00 0.00 H new ATOM 0 HA VAL A 21 6.501 -7.822 3.916 1.00 0.00 H new ATOM 0 HB VAL A 21 4.953 -10.069 2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.902 -10.283 1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.076 -8.719 0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.603 -8.809 1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.943 -11.401 3.277 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.636 -9.962 4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.138 -10.686 4.693 1.00 0.00 H new ATOM 189 N PHE A 22 3.579 -7.495 2.387 1.00 0.00 N ATOM 190 CA PHE A 22 2.787 -6.661 1.490 1.00 0.00 C ATOM 191 C PHE A 22 2.792 -5.241 1.943 1.00 0.00 C ATOM 192 O PHE A 22 3.142 -4.345 1.177 1.00 0.00 O ATOM 193 CB PHE A 22 1.329 -7.184 1.410 1.00 0.00 C ATOM 194 CG PHE A 22 0.300 -6.155 1.005 1.00 0.00 C ATOM 195 CD1 PHE A 22 0.391 -5.482 -0.190 1.00 0.00 C ATOM 196 CD2 PHE A 22 -0.745 -5.858 1.847 1.00 0.00 C ATOM 197 CE1 PHE A 22 -0.542 -4.526 -0.536 1.00 0.00 C ATOM 198 CE2 PHE A 22 -1.674 -4.916 1.507 1.00 0.00 C ATOM 199 CZ PHE A 22 -1.581 -4.248 0.322 1.00 0.00 C ATOM 0 H PHE A 22 3.054 -8.266 2.800 1.00 0.00 H new ATOM 0 HA PHE A 22 3.237 -6.711 0.498 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.294 -8.009 0.699 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.051 -7.590 2.383 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.203 -5.704 -0.867 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.833 -6.376 2.790 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.457 -3.999 -1.475 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -2.489 -4.699 2.182 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.319 -3.505 0.058 1.00 0.00 H new ATOM 209 N ARG A 23 2.427 -5.040 3.189 1.00 0.00 N ATOM 210 CA ARG A 23 2.357 -3.705 3.724 1.00 0.00 C ATOM 211 C ARG A 23 3.733 -3.028 3.686 1.00 0.00 C ATOM 212 O ARG A 23 3.821 -1.845 3.515 1.00 0.00 O ATOM 213 CB ARG A 23 1.698 -3.681 5.124 1.00 0.00 C ATOM 214 CG ARG A 23 2.542 -4.185 6.288 1.00 0.00 C ATOM 215 CD ARG A 23 3.336 -3.046 6.923 1.00 0.00 C ATOM 216 NE ARG A 23 4.068 -3.454 8.122 1.00 0.00 N ATOM 217 CZ ARG A 23 5.246 -2.946 8.503 1.00 0.00 C ATOM 218 NH1 ARG A 23 5.954 -2.175 7.661 1.00 0.00 N ATOM 219 NH2 ARG A 23 5.733 -3.236 9.706 1.00 0.00 N ATOM 0 H ARG A 23 2.176 -5.780 3.845 1.00 0.00 H new ATOM 0 HA ARG A 23 1.703 -3.113 3.084 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.398 -2.656 5.341 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.787 -4.278 5.081 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.897 -4.645 7.037 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.226 -4.958 5.938 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.041 -2.651 6.191 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.654 -2.235 7.179 1.00 0.00 H new ATOM 0 HE ARG A 23 3.651 -4.177 8.709 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.594 -1.975 6.728 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.851 -1.790 7.955 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.209 -3.844 10.335 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.631 -2.850 9.999 1.00 0.00 H new ATOM 233 N LYS A 24 4.793 -3.810 3.796 1.00 0.00 N ATOM 234 CA LYS A 24 6.139 -3.284 3.730 1.00 0.00 C ATOM 235 C LYS A 24 6.482 -2.862 2.300 1.00 0.00 C ATOM 236 O LYS A 24 6.949 -1.740 2.071 1.00 0.00 O ATOM 237 CB LYS A 24 7.122 -4.338 4.192 1.00 0.00 C ATOM 238 CG LYS A 24 8.560 -3.868 4.249 1.00 0.00 C ATOM 239 CD LYS A 24 9.478 -4.973 4.712 1.00 0.00 C ATOM 240 CE LYS A 24 9.447 -6.161 3.760 1.00 0.00 C ATOM 241 NZ LYS A 24 10.421 -7.206 4.124 1.00 0.00 N ATOM 0 H LYS A 24 4.743 -4.820 3.933 1.00 0.00 H new ATOM 0 HA LYS A 24 6.202 -2.411 4.380 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.826 -4.685 5.182 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.059 -5.195 3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.871 -3.522 3.263 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.641 -3.017 4.926 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.497 -4.593 4.788 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.184 -5.298 5.710 1.00 0.00 H new ATOM 0 HE2 LYS A 24 8.445 -6.590 3.753 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.652 -5.815 2.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.358 -7.991 3.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.381 -6.807 4.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 10.211 -7.558 5.080 1.00 0.00 H new ATOM 255 N GLU A 25 6.197 -3.752 1.333 1.00 0.00 N ATOM 256 CA GLU A 25 6.502 -3.518 -0.085 1.00 0.00 C ATOM 257 C GLU A 25 5.782 -2.301 -0.515 1.00 0.00 C ATOM 258 O GLU A 25 6.334 -1.399 -1.151 1.00 0.00 O ATOM 259 CB GLU A 25 5.895 -4.585 -0.921 1.00 0.00 C ATOM 260 CG GLU A 25 6.156 -5.977 -0.531 1.00 0.00 C ATOM 261 CD GLU A 25 7.438 -6.524 -1.060 1.00 0.00 C ATOM 262 OE1 GLU A 25 7.505 -6.843 -2.272 1.00 0.00 O ATOM 263 OE2 GLU A 25 8.423 -6.628 -0.298 1.00 0.00 O ATOM 0 H GLU A 25 5.750 -4.651 1.514 1.00 0.00 H new ATOM 0 HA GLU A 25 7.585 -3.465 -0.194 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.816 -4.434 -0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.244 -4.451 -1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.166 -6.043 0.557 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.334 -6.602 -0.881 1.00 0.00 H new ATOM 270 N MET A 26 4.519 -2.324 -0.191 1.00 0.00 N ATOM 271 CA MET A 26 3.607 -1.281 -0.544 1.00 0.00 C ATOM 272 C MET A 26 3.916 0.031 0.157 1.00 0.00 C ATOM 273 O MET A 26 3.809 1.054 -0.438 1.00 0.00 O ATOM 274 CB MET A 26 2.184 -1.733 -0.305 1.00 0.00 C ATOM 275 CG MET A 26 1.137 -0.715 -0.723 1.00 0.00 C ATOM 276 SD MET A 26 1.506 0.090 -2.313 1.00 0.00 S ATOM 277 CE MET A 26 1.106 -1.109 -3.571 1.00 0.00 C ATOM 0 H MET A 26 4.090 -3.085 0.336 1.00 0.00 H new ATOM 0 HA MET A 26 3.730 -1.079 -1.608 1.00 0.00 H new ATOM 0 HB2 MET A 26 2.012 -2.661 -0.849 1.00 0.00 H new ATOM 0 HB3 MET A 26 2.057 -1.956 0.754 1.00 0.00 H new ATOM 0 HG2 MET A 26 0.168 -1.209 -0.790 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.053 0.048 0.051 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.949 -1.214 -4.254 1.00 0.00 H new ATOM 0 HE2 MET A 26 0.896 -2.071 -3.103 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.229 -0.776 -4.125 1.00 0.00 H new ATOM 287 N SER A 27 4.334 -0.010 1.410 1.00 0.00 N ATOM 288 CA SER A 27 4.754 1.196 2.065 1.00 0.00 C ATOM 289 C SER A 27 5.942 1.769 1.333 1.00 0.00 C ATOM 290 O SER A 27 6.026 2.954 1.148 1.00 0.00 O ATOM 291 CB SER A 27 5.042 1.021 3.569 1.00 0.00 C ATOM 292 OG SER A 27 3.836 0.815 4.311 1.00 0.00 O ATOM 0 H SER A 27 4.388 -0.855 1.979 1.00 0.00 H new ATOM 0 HA SER A 27 3.921 1.897 2.023 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.711 0.173 3.717 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.558 1.904 3.947 1.00 0.00 H new ATOM 0 HG SER A 27 3.071 1.129 3.785 1.00 0.00 H new ATOM 298 N GLN A 28 6.808 0.906 0.832 1.00 0.00 N ATOM 299 CA GLN A 28 7.976 1.360 0.081 1.00 0.00 C ATOM 300 C GLN A 28 7.570 1.913 -1.282 1.00 0.00 C ATOM 301 O GLN A 28 8.102 2.940 -1.734 1.00 0.00 O ATOM 302 CB GLN A 28 8.988 0.235 -0.066 1.00 0.00 C ATOM 303 CG GLN A 28 9.620 -0.175 1.243 1.00 0.00 C ATOM 304 CD GLN A 28 10.521 0.903 1.798 1.00 0.00 C ATOM 305 OE1 GLN A 28 10.091 1.781 2.549 1.00 0.00 O ATOM 306 NE2 GLN A 28 11.769 0.849 1.440 1.00 0.00 N ATOM 0 H GLN A 28 6.730 -0.107 0.928 1.00 0.00 H new ATOM 0 HA GLN A 28 8.446 2.169 0.640 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.497 -0.630 -0.511 1.00 0.00 H new ATOM 0 HB3 GLN A 28 9.771 0.548 -0.757 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.838 -0.403 1.968 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.196 -1.089 1.097 1.00 0.00 H new ATOM 0 HE21 GLN A 28 12.089 0.108 0.817 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.428 1.548 1.782 1.00 0.00 H new ATOM 315 N PHE A 29 6.661 1.223 -1.927 1.00 0.00 N ATOM 316 CA PHE A 29 6.101 1.636 -3.202 1.00 0.00 C ATOM 317 C PHE A 29 5.372 2.977 -3.059 1.00 0.00 C ATOM 318 O PHE A 29 5.577 3.893 -3.852 1.00 0.00 O ATOM 319 CB PHE A 29 5.159 0.547 -3.719 1.00 0.00 C ATOM 320 CG PHE A 29 4.473 0.864 -5.013 1.00 0.00 C ATOM 321 CD1 PHE A 29 5.097 0.637 -6.221 1.00 0.00 C ATOM 322 CD2 PHE A 29 3.188 1.369 -5.013 1.00 0.00 C ATOM 323 CE1 PHE A 29 4.448 0.912 -7.402 1.00 0.00 C ATOM 324 CE2 PHE A 29 2.542 1.647 -6.182 1.00 0.00 C ATOM 325 CZ PHE A 29 3.166 1.420 -7.374 1.00 0.00 C ATOM 0 H PHE A 29 6.280 0.343 -1.579 1.00 0.00 H new ATOM 0 HA PHE A 29 6.906 1.774 -3.924 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.727 -0.375 -3.843 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.400 0.354 -2.961 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.102 0.241 -6.240 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.687 1.547 -4.073 1.00 0.00 H new ATOM 0 HE1 PHE A 29 4.940 0.731 -8.346 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.539 2.046 -6.164 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.654 1.639 -8.299 1.00 0.00 H new ATOM 335 N ILE A 30 4.539 3.076 -2.049 1.00 0.00 N ATOM 336 CA ILE A 30 3.812 4.288 -1.741 1.00 0.00 C ATOM 337 C ILE A 30 4.776 5.392 -1.396 1.00 0.00 C ATOM 338 O ILE A 30 4.625 6.499 -1.878 1.00 0.00 O ATOM 339 CB ILE A 30 2.772 4.090 -0.608 1.00 0.00 C ATOM 340 CG1 ILE A 30 1.649 3.181 -1.104 1.00 0.00 C ATOM 341 CG2 ILE A 30 2.217 5.433 -0.151 1.00 0.00 C ATOM 342 CD1 ILE A 30 0.680 2.728 -0.038 1.00 0.00 C ATOM 0 H ILE A 30 4.344 2.307 -1.409 1.00 0.00 H new ATOM 0 HA ILE A 30 3.249 4.565 -2.632 1.00 0.00 H new ATOM 0 HB ILE A 30 3.258 3.621 0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.093 3.706 -1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.093 2.301 -1.569 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.489 5.274 0.644 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.031 6.055 0.221 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.734 5.932 -0.991 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.080 2.088 -0.486 1.00 0.00 H new ATOM 0 HD12 ILE A 30 1.218 2.171 0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.202 3.598 0.413 1.00 0.00 H new ATOM 354 N VAL A 31 5.778 5.085 -0.576 1.00 0.00 N ATOM 355 CA VAL A 31 6.852 6.050 -0.294 1.00 0.00 C ATOM 356 C VAL A 31 7.428 6.604 -1.604 1.00 0.00 C ATOM 357 O VAL A 31 7.517 7.812 -1.791 1.00 0.00 O ATOM 358 CB VAL A 31 7.981 5.410 0.595 1.00 0.00 C ATOM 359 CG1 VAL A 31 9.296 6.188 0.524 1.00 0.00 C ATOM 360 CG2 VAL A 31 7.521 5.358 2.045 1.00 0.00 C ATOM 0 H VAL A 31 5.874 4.189 -0.098 1.00 0.00 H new ATOM 0 HA VAL A 31 6.424 6.877 0.272 1.00 0.00 H new ATOM 0 HB VAL A 31 8.163 4.408 0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.040 5.703 1.156 1.00 0.00 H new ATOM 0 HG12 VAL A 31 9.652 6.208 -0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.134 7.208 0.872 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.304 4.914 2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.312 6.368 2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.617 4.754 2.118 1.00 0.00 H new ATOM 370 N GLN A 32 7.736 5.713 -2.520 1.00 0.00 N ATOM 371 CA GLN A 32 8.285 6.054 -3.826 1.00 0.00 C ATOM 372 C GLN A 32 7.319 6.969 -4.593 1.00 0.00 C ATOM 373 O GLN A 32 7.721 7.952 -5.218 1.00 0.00 O ATOM 374 CB GLN A 32 8.474 4.760 -4.599 1.00 0.00 C ATOM 375 CG GLN A 32 9.196 4.881 -5.909 1.00 0.00 C ATOM 376 CD GLN A 32 9.235 3.556 -6.637 1.00 0.00 C ATOM 377 OE1 GLN A 32 10.153 2.750 -6.446 1.00 0.00 O ATOM 378 NE2 GLN A 32 8.248 3.313 -7.463 1.00 0.00 N ATOM 0 H GLN A 32 7.612 4.710 -2.381 1.00 0.00 H new ATOM 0 HA GLN A 32 9.232 6.580 -3.706 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.020 4.059 -3.968 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.493 4.324 -4.786 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.702 5.627 -6.532 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.213 5.234 -5.736 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.509 4.004 -7.593 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.218 2.432 -7.977 1.00 0.00 H new ATOM 387 N CYS A 33 6.059 6.615 -4.534 1.00 0.00 N ATOM 388 CA CYS A 33 4.989 7.351 -5.168 1.00 0.00 C ATOM 389 C CYS A 33 4.793 8.730 -4.556 1.00 0.00 C ATOM 390 O CYS A 33 4.503 9.676 -5.266 1.00 0.00 O ATOM 391 CB CYS A 33 3.703 6.548 -5.069 1.00 0.00 C ATOM 392 SG CYS A 33 3.753 4.979 -5.955 1.00 0.00 S ATOM 0 H CYS A 33 5.739 5.787 -4.032 1.00 0.00 H new ATOM 0 HA CYS A 33 5.260 7.503 -6.213 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.487 6.354 -4.018 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.880 7.148 -5.458 1.00 0.00 H new ATOM 0 HG CYS A 33 4.515 4.143 -5.315 1.00 0.00 H new ATOM 398 N LEU A 34 4.948 8.821 -3.249 1.00 0.00 N ATOM 399 CA LEU A 34 4.794 10.074 -2.510 1.00 0.00 C ATOM 400 C LEU A 34 6.015 10.973 -2.614 1.00 0.00 C ATOM 401 O LEU A 34 5.916 12.173 -2.380 1.00 0.00 O ATOM 402 CB LEU A 34 4.483 9.824 -1.046 1.00 0.00 C ATOM 403 CG LEU A 34 3.194 9.101 -0.724 1.00 0.00 C ATOM 404 CD1 LEU A 34 3.053 8.963 0.772 1.00 0.00 C ATOM 405 CD2 LEU A 34 2.001 9.835 -1.293 1.00 0.00 C ATOM 0 H LEU A 34 5.187 8.024 -2.659 1.00 0.00 H new ATOM 0 HA LEU A 34 3.954 10.587 -2.977 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.307 9.251 -0.619 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.466 10.787 -0.536 1.00 0.00 H new ATOM 0 HG LEU A 34 3.228 8.112 -1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.124 8.442 1.003 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.896 8.395 1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.037 9.953 1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.088 9.293 -1.046 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.954 10.837 -0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.100 9.905 -2.376 1.00 0.00 H new ATOM 417 N ASN A 35 7.181 10.388 -2.894 1.00 0.00 N ATOM 418 CA ASN A 35 8.419 11.162 -3.131 1.00 0.00 C ATOM 419 C ASN A 35 8.282 12.479 -3.916 1.00 0.00 C ATOM 420 O ASN A 35 8.794 13.492 -3.469 1.00 0.00 O ATOM 421 CB ASN A 35 9.529 10.314 -3.688 1.00 0.00 C ATOM 422 CG ASN A 35 10.364 9.951 -2.553 1.00 0.00 C ATOM 423 OD1 ASN A 35 11.394 10.570 -2.284 1.00 0.00 O ATOM 424 ND2 ASN A 35 9.879 9.058 -1.802 1.00 0.00 N ATOM 0 H ASN A 35 7.302 9.378 -2.964 1.00 0.00 H new ATOM 0 HA ASN A 35 8.682 11.486 -2.124 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.132 9.426 -4.180 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.103 10.863 -4.435 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.344 8.820 -0.926 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.022 8.575 -2.072 1.00 0.00 H new ATOM 431 N PRO A 36 7.589 12.516 -5.082 1.00 0.00 N ATOM 432 CA PRO A 36 7.403 13.769 -5.831 1.00 0.00 C ATOM 433 C PRO A 36 6.470 14.769 -5.119 1.00 0.00 C ATOM 434 O PRO A 36 6.496 15.974 -5.406 1.00 0.00 O ATOM 435 CB PRO A 36 6.789 13.311 -7.158 1.00 0.00 C ATOM 436 CG PRO A 36 6.142 12.009 -6.847 1.00 0.00 C ATOM 437 CD PRO A 36 6.990 11.368 -5.797 1.00 0.00 C ATOM 0 HA PRO A 36 8.345 14.306 -5.943 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.063 14.035 -7.529 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.551 13.200 -7.929 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.123 12.155 -6.490 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.081 11.381 -7.736 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.396 10.745 -5.128 1.00 0.00 H new ATOM 0 HD3 PRO A 36 7.754 10.726 -6.236 1.00 0.00 H new ATOM 445 N TYR A 37 5.696 14.280 -4.171 1.00 0.00 N ATOM 446 CA TYR A 37 4.723 15.100 -3.476 1.00 0.00 C ATOM 447 C TYR A 37 5.362 15.861 -2.341 1.00 0.00 C ATOM 448 O TYR A 37 4.908 16.918 -1.968 1.00 0.00 O ATOM 449 CB TYR A 37 3.548 14.260 -2.952 1.00 0.00 C ATOM 450 CG TYR A 37 2.706 13.619 -4.033 1.00 0.00 C ATOM 451 CD1 TYR A 37 3.099 12.445 -4.629 1.00 0.00 C ATOM 452 CD2 TYR A 37 1.517 14.193 -4.448 1.00 0.00 C ATOM 453 CE1 TYR A 37 2.352 11.853 -5.613 1.00 0.00 C ATOM 454 CE2 TYR A 37 0.747 13.617 -5.428 1.00 0.00 C ATOM 455 CZ TYR A 37 1.170 12.441 -6.019 1.00 0.00 C ATOM 456 OH TYR A 37 0.417 11.858 -7.023 1.00 0.00 O ATOM 0 H TYR A 37 5.723 13.308 -3.862 1.00 0.00 H new ATOM 0 HA TYR A 37 4.334 15.816 -4.200 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.938 13.478 -2.301 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.908 14.895 -2.339 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.020 11.977 -4.314 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.188 15.114 -3.991 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.685 10.932 -6.068 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.180 14.078 -5.734 1.00 0.00 H new ATOM 0 HH TYR A 37 0.191 12.533 -7.697 1.00 0.00 H new ATOM 466 N ARG A 38 6.442 15.340 -1.810 1.00 0.00 N ATOM 467 CA ARG A 38 7.104 15.992 -0.665 1.00 0.00 C ATOM 468 C ARG A 38 8.079 17.067 -1.124 1.00 0.00 C ATOM 469 O ARG A 38 8.721 17.744 -0.316 1.00 0.00 O ATOM 470 CB ARG A 38 7.826 14.973 0.197 1.00 0.00 C ATOM 471 CG ARG A 38 8.943 14.261 -0.522 1.00 0.00 C ATOM 472 CD ARG A 38 9.673 13.340 0.413 1.00 0.00 C ATOM 473 NE ARG A 38 10.813 12.668 -0.220 1.00 0.00 N ATOM 474 CZ ARG A 38 12.053 12.644 0.291 1.00 0.00 C ATOM 475 NH1 ARG A 38 12.372 13.421 1.322 1.00 0.00 N ATOM 476 NH2 ARG A 38 12.975 11.877 -0.260 1.00 0.00 N ATOM 0 H ARG A 38 6.888 14.482 -2.133 1.00 0.00 H new ATOM 0 HA ARG A 38 6.325 16.468 -0.070 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.232 15.474 1.076 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.107 14.236 0.554 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.539 13.692 -1.359 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.638 14.991 -0.938 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.025 13.909 1.273 1.00 0.00 H new ATOM 0 HD3 ARG A 38 8.979 12.589 0.790 1.00 0.00 H new ATOM 0 HE ARG A 38 10.652 12.188 -1.106 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.672 14.041 1.730 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.317 13.397 1.705 1.00 0.00 H new ATOM 0 HH21 ARG A 38 12.744 11.305 -1.072 1.00 0.00 H new ATOM 0 HH22 ARG A 38 13.919 11.857 0.126 1.00 0.00 H new ATOM 490 N LYS A 39 8.181 17.207 -2.411 1.00 0.00 N ATOM 491 CA LYS A 39 9.051 18.187 -3.014 1.00 0.00 C ATOM 492 C LYS A 39 8.405 19.568 -2.889 1.00 0.00 C ATOM 493 O LYS A 39 7.197 19.698 -3.065 1.00 0.00 O ATOM 494 CB LYS A 39 9.283 17.848 -4.489 1.00 0.00 C ATOM 495 CG LYS A 39 9.816 16.448 -4.726 1.00 0.00 C ATOM 496 CD LYS A 39 11.130 16.211 -4.008 1.00 0.00 C ATOM 497 CE LYS A 39 11.596 14.783 -4.204 1.00 0.00 C ATOM 498 NZ LYS A 39 12.872 14.509 -3.511 1.00 0.00 N ATOM 0 H LYS A 39 7.661 16.643 -3.083 1.00 0.00 H new ATOM 0 HA LYS A 39 10.014 18.185 -2.503 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.344 17.964 -5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.984 18.568 -4.910 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.081 15.718 -4.387 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.953 16.289 -5.795 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.886 16.900 -4.385 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.012 16.418 -2.944 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.831 14.100 -3.835 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.714 14.585 -5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.150 13.520 -3.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.610 15.142 -3.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.755 14.672 -2.491 1.00 0.00 H new ATOM 512 N PRO A 40 9.196 20.618 -2.619 1.00 0.00 N ATOM 513 CA PRO A 40 8.681 21.988 -2.403 1.00 0.00 C ATOM 514 C PRO A 40 7.968 22.587 -3.625 1.00 0.00 C ATOM 515 O PRO A 40 7.265 23.590 -3.516 1.00 0.00 O ATOM 516 CB PRO A 40 9.936 22.803 -2.076 1.00 0.00 C ATOM 517 CG PRO A 40 11.062 22.011 -2.636 1.00 0.00 C ATOM 518 CD PRO A 40 10.664 20.571 -2.491 1.00 0.00 C ATOM 0 HA PRO A 40 7.924 21.992 -1.619 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.890 23.796 -2.523 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.047 22.943 -1.001 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.236 22.265 -3.682 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.989 22.216 -2.100 1.00 0.00 H new ATOM 0 HD2 PRO A 40 11.117 19.948 -3.262 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.972 20.162 -1.529 1.00 0.00 H new ATOM 526 N ASP A 41 8.126 21.967 -4.767 1.00 0.00 N ATOM 527 CA ASP A 41 7.506 22.462 -5.992 1.00 0.00 C ATOM 528 C ASP A 41 6.344 21.544 -6.424 1.00 0.00 C ATOM 529 O ASP A 41 5.825 21.631 -7.538 1.00 0.00 O ATOM 530 CB ASP A 41 8.578 22.615 -7.087 1.00 0.00 C ATOM 531 CG ASP A 41 8.070 23.139 -8.415 1.00 0.00 C ATOM 532 OD1 ASP A 41 7.449 24.225 -8.459 1.00 0.00 O ATOM 533 OD2 ASP A 41 8.294 22.463 -9.449 1.00 0.00 O ATOM 0 H ASP A 41 8.677 21.117 -4.885 1.00 0.00 H new ATOM 0 HA ASP A 41 7.073 23.446 -5.813 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.355 23.287 -6.722 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.047 21.645 -7.252 1.00 0.00 H new ATOM 538 N CYS A 42 5.934 20.659 -5.531 1.00 0.00 N ATOM 539 CA CYS A 42 4.788 19.827 -5.812 1.00 0.00 C ATOM 540 C CYS A 42 3.543 20.699 -5.868 1.00 0.00 C ATOM 541 O CYS A 42 3.269 21.477 -4.938 1.00 0.00 O ATOM 542 CB CYS A 42 4.611 18.729 -4.787 1.00 0.00 C ATOM 543 SG CYS A 42 3.318 17.545 -5.208 1.00 0.00 S ATOM 0 H CYS A 42 6.371 20.503 -4.623 1.00 0.00 H new ATOM 0 HA CYS A 42 4.951 19.340 -6.773 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.555 18.197 -4.671 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.379 19.179 -3.822 1.00 0.00 H new ATOM 0 HG CYS A 42 2.177 17.967 -4.749 1.00 0.00 H new ATOM 549 N LYS A 43 2.831 20.600 -6.963 1.00 0.00 N ATOM 550 CA LYS A 43 1.664 21.396 -7.183 1.00 0.00 C ATOM 551 C LYS A 43 0.459 20.831 -6.442 1.00 0.00 C ATOM 552 O LYS A 43 -0.356 21.584 -5.904 1.00 0.00 O ATOM 553 CB LYS A 43 1.365 21.470 -8.677 1.00 0.00 C ATOM 554 CG LYS A 43 0.131 22.275 -9.006 1.00 0.00 C ATOM 555 CD LYS A 43 -0.186 22.224 -10.473 1.00 0.00 C ATOM 556 CE LYS A 43 -1.481 22.956 -10.773 1.00 0.00 C ATOM 557 NZ LYS A 43 -2.643 22.378 -10.048 1.00 0.00 N ATOM 0 H LYS A 43 3.051 19.960 -7.726 1.00 0.00 H new ATOM 0 HA LYS A 43 1.858 22.397 -6.797 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.222 21.908 -9.189 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.244 20.459 -9.066 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.716 21.893 -8.436 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.279 23.311 -8.701 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.629 22.672 -11.041 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.267 21.186 -10.796 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.373 24.006 -10.501 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.673 22.923 -11.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.525 22.693 -10.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.590 21.340 -10.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.628 22.696 -9.058 1.00 0.00 H new ATOM 571 N VAL A 44 0.360 19.527 -6.384 1.00 0.00 N ATOM 572 CA VAL A 44 -0.811 18.913 -5.814 1.00 0.00 C ATOM 573 C VAL A 44 -0.445 17.906 -4.748 1.00 0.00 C ATOM 574 O VAL A 44 0.352 17.010 -4.979 1.00 0.00 O ATOM 575 CB VAL A 44 -1.732 18.273 -6.903 1.00 0.00 C ATOM 576 CG1 VAL A 44 -1.016 17.201 -7.720 1.00 0.00 C ATOM 577 CG2 VAL A 44 -3.013 17.734 -6.287 1.00 0.00 C ATOM 0 H VAL A 44 1.069 18.876 -6.721 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.383 19.710 -5.339 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.997 19.069 -7.599 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.701 16.790 -8.461 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.157 17.642 -8.225 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.678 16.404 -7.058 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.635 17.295 -7.067 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.768 16.973 -5.546 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.556 18.548 -5.806 1.00 0.00 H new ATOM 587 N GLY A 45 -0.995 18.101 -3.577 1.00 0.00 N ATOM 588 CA GLY A 45 -0.756 17.210 -2.483 1.00 0.00 C ATOM 589 C GLY A 45 0.678 17.298 -2.004 1.00 0.00 C ATOM 590 O GLY A 45 1.313 16.294 -1.761 1.00 0.00 O ATOM 0 H GLY A 45 -1.617 18.880 -3.361 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.431 17.450 -1.662 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.977 16.188 -2.789 1.00 0.00 H new ATOM 594 N ARG A 46 1.202 18.497 -1.891 1.00 0.00 N ATOM 595 CA ARG A 46 2.551 18.676 -1.448 1.00 0.00 C ATOM 596 C ARG A 46 2.654 18.344 0.023 1.00 0.00 C ATOM 597 O ARG A 46 1.962 18.941 0.868 1.00 0.00 O ATOM 598 CB ARG A 46 3.001 20.101 -1.701 1.00 0.00 C ATOM 599 CG ARG A 46 4.467 20.354 -1.433 1.00 0.00 C ATOM 600 CD ARG A 46 4.852 21.743 -1.891 1.00 0.00 C ATOM 601 NE ARG A 46 4.128 22.782 -1.169 1.00 0.00 N ATOM 602 CZ ARG A 46 3.411 23.771 -1.734 1.00 0.00 C ATOM 603 NH1 ARG A 46 3.165 23.762 -3.050 1.00 0.00 N ATOM 604 NH2 ARG A 46 2.904 24.731 -0.964 1.00 0.00 N ATOM 0 H ARG A 46 0.705 19.362 -2.103 1.00 0.00 H new ATOM 0 HA ARG A 46 3.202 18.005 -2.008 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.785 20.358 -2.738 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.410 20.771 -1.077 1.00 0.00 H new ATOM 0 HG2 ARG A 46 4.673 20.245 -0.368 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.072 19.611 -1.953 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.924 21.886 -1.751 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.654 21.840 -2.958 1.00 0.00 H new ATOM 0 HE ARG A 46 4.168 22.757 -0.150 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.522 23.003 -3.630 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.621 24.514 -3.472 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.060 24.712 0.044 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.359 25.485 -1.382 1.00 0.00 H new ATOM 618 N ILE A 47 3.475 17.390 0.316 1.00 0.00 N ATOM 619 CA ILE A 47 3.671 16.948 1.654 1.00 0.00 C ATOM 620 C ILE A 47 4.508 17.944 2.427 1.00 0.00 C ATOM 621 O ILE A 47 5.605 18.344 2.006 1.00 0.00 O ATOM 622 CB ILE A 47 4.256 15.517 1.717 1.00 0.00 C ATOM 623 CG1 ILE A 47 3.329 14.567 0.931 1.00 0.00 C ATOM 624 CG2 ILE A 47 4.401 15.077 3.161 1.00 0.00 C ATOM 625 CD1 ILE A 47 3.823 13.151 0.800 1.00 0.00 C ATOM 0 H ILE A 47 4.034 16.891 -0.376 1.00 0.00 H new ATOM 0 HA ILE A 47 2.693 16.894 2.133 1.00 0.00 H new ATOM 0 HB ILE A 47 5.248 15.496 1.266 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.354 14.551 1.419 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.179 14.976 -0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.813 14.069 3.194 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.070 15.760 3.684 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.424 15.085 3.644 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.101 12.565 0.232 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.782 13.147 0.282 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.944 12.715 1.792 1.00 0.00 H new ATOM 637 N THR A 48 3.944 18.365 3.509 1.00 0.00 N ATOM 638 CA THR A 48 4.495 19.331 4.395 1.00 0.00 C ATOM 639 C THR A 48 5.771 18.854 5.081 1.00 0.00 C ATOM 640 O THR A 48 6.835 19.465 4.936 1.00 0.00 O ATOM 641 CB THR A 48 3.431 19.649 5.438 1.00 0.00 C ATOM 642 OG1 THR A 48 2.946 18.408 5.976 1.00 0.00 O ATOM 643 CG2 THR A 48 2.283 20.336 4.782 1.00 0.00 C ATOM 0 H THR A 48 3.033 18.023 3.815 1.00 0.00 H new ATOM 0 HA THR A 48 4.776 20.213 3.819 1.00 0.00 H new ATOM 0 HB THR A 48 3.856 20.283 6.216 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.260 18.590 6.652 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.521 20.564 5.527 1.00 0.00 H new ATOM 0 HG22 THR A 48 2.628 21.262 4.321 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.859 19.686 4.017 1.00 0.00 H new ATOM 651 N THR A 49 5.680 17.762 5.779 1.00 0.00 N ATOM 652 CA THR A 49 6.788 17.321 6.580 1.00 0.00 C ATOM 653 C THR A 49 7.009 15.833 6.391 1.00 0.00 C ATOM 654 O THR A 49 6.102 15.118 5.983 1.00 0.00 O ATOM 655 CB THR A 49 6.509 17.614 8.082 1.00 0.00 C ATOM 656 OG1 THR A 49 5.839 18.886 8.206 1.00 0.00 O ATOM 657 CG2 THR A 49 7.815 17.704 8.864 1.00 0.00 C ATOM 0 H THR A 49 4.856 17.161 5.812 1.00 0.00 H new ATOM 0 HA THR A 49 7.681 17.861 6.266 1.00 0.00 H new ATOM 0 HB THR A 49 5.894 16.805 8.477 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.661 19.071 9.152 1.00 0.00 H new ATOM 0 HG21 THR A 49 7.598 17.909 9.912 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.353 16.760 8.783 1.00 0.00 H new ATOM 0 HG23 THR A 49 8.429 18.507 8.456 1.00 0.00 H new ATOM 665 N THR A 50 8.200 15.392 6.684 1.00 0.00 N ATOM 666 CA THR A 50 8.590 14.012 6.628 1.00 0.00 C ATOM 667 C THR A 50 7.672 13.131 7.466 1.00 0.00 C ATOM 668 O THR A 50 7.280 12.056 7.033 1.00 0.00 O ATOM 669 CB THR A 50 10.059 13.884 7.101 1.00 0.00 C ATOM 670 OG1 THR A 50 10.549 12.538 6.988 1.00 0.00 O ATOM 671 CG2 THR A 50 10.262 14.403 8.512 1.00 0.00 C ATOM 0 H THR A 50 8.956 16.010 6.980 1.00 0.00 H new ATOM 0 HA THR A 50 8.504 13.666 5.598 1.00 0.00 H new ATOM 0 HB THR A 50 10.642 14.514 6.429 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.479 12.502 7.295 1.00 0.00 H new ATOM 0 HG21 THR A 50 11.309 14.290 8.794 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.986 15.457 8.555 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.637 13.836 9.202 1.00 0.00 H new ATOM 679 N GLU A 51 7.307 13.611 8.644 1.00 0.00 N ATOM 680 CA GLU A 51 6.403 12.881 9.517 1.00 0.00 C ATOM 681 C GLU A 51 5.043 12.697 8.856 1.00 0.00 C ATOM 682 O GLU A 51 4.412 11.636 8.989 1.00 0.00 O ATOM 683 CB GLU A 51 6.308 13.540 10.893 1.00 0.00 C ATOM 684 CG GLU A 51 5.888 15.003 10.876 1.00 0.00 C ATOM 685 CD GLU A 51 5.922 15.609 12.250 1.00 0.00 C ATOM 686 OE1 GLU A 51 7.015 15.988 12.709 1.00 0.00 O ATOM 687 OE2 GLU A 51 4.862 15.698 12.914 1.00 0.00 O ATOM 0 H GLU A 51 7.624 14.505 9.018 1.00 0.00 H new ATOM 0 HA GLU A 51 6.812 11.884 9.682 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.596 12.980 11.499 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.277 13.461 11.385 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.549 15.563 10.215 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.881 15.088 10.466 1.00 0.00 H new ATOM 694 N ASP A 52 4.645 13.684 8.069 1.00 0.00 N ATOM 695 CA ASP A 52 3.394 13.638 7.325 1.00 0.00 C ATOM 696 C ASP A 52 3.522 12.710 6.175 1.00 0.00 C ATOM 697 O ASP A 52 2.618 11.936 5.894 1.00 0.00 O ATOM 698 CB ASP A 52 3.003 15.034 6.818 1.00 0.00 C ATOM 699 CG ASP A 52 2.249 15.843 7.835 1.00 0.00 C ATOM 700 OD1 ASP A 52 2.879 16.410 8.736 1.00 0.00 O ATOM 701 OD2 ASP A 52 0.997 15.916 7.753 1.00 0.00 O ATOM 0 H ASP A 52 5.180 14.541 7.927 1.00 0.00 H new ATOM 0 HA ASP A 52 2.613 13.282 7.997 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.905 15.574 6.529 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.393 14.930 5.921 1.00 0.00 H new ATOM 706 N PHE A 53 4.673 12.757 5.540 1.00 0.00 N ATOM 707 CA PHE A 53 5.007 11.890 4.432 1.00 0.00 C ATOM 708 C PHE A 53 4.893 10.415 4.873 1.00 0.00 C ATOM 709 O PHE A 53 4.196 9.613 4.253 1.00 0.00 O ATOM 710 CB PHE A 53 6.433 12.211 3.938 1.00 0.00 C ATOM 711 CG PHE A 53 6.982 11.255 2.929 1.00 0.00 C ATOM 712 CD1 PHE A 53 7.671 10.129 3.336 1.00 0.00 C ATOM 713 CD2 PHE A 53 6.809 11.475 1.592 1.00 0.00 C ATOM 714 CE1 PHE A 53 8.167 9.247 2.423 1.00 0.00 C ATOM 715 CE2 PHE A 53 7.305 10.597 0.668 1.00 0.00 C ATOM 716 CZ PHE A 53 7.983 9.482 1.078 1.00 0.00 C ATOM 0 H PHE A 53 5.416 13.411 5.784 1.00 0.00 H new ATOM 0 HA PHE A 53 4.311 12.056 3.610 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.435 13.212 3.507 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.103 12.233 4.798 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.818 9.945 4.390 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.274 12.353 1.261 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.702 8.368 2.752 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.161 10.784 -0.386 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.373 8.787 0.349 1.00 0.00 H new ATOM 726 N LYS A 54 5.562 10.110 5.956 1.00 0.00 N ATOM 727 CA LYS A 54 5.595 8.785 6.525 1.00 0.00 C ATOM 728 C LYS A 54 4.226 8.340 6.987 1.00 0.00 C ATOM 729 O LYS A 54 3.815 7.201 6.730 1.00 0.00 O ATOM 730 CB LYS A 54 6.584 8.776 7.685 1.00 0.00 C ATOM 731 CG LYS A 54 8.012 8.986 7.215 1.00 0.00 C ATOM 732 CD LYS A 54 8.984 9.051 8.363 1.00 0.00 C ATOM 733 CE LYS A 54 10.408 9.212 7.860 1.00 0.00 C ATOM 734 NZ LYS A 54 10.825 8.081 7.007 1.00 0.00 N ATOM 0 H LYS A 54 6.112 10.791 6.479 1.00 0.00 H new ATOM 0 HA LYS A 54 5.914 8.079 5.758 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.317 9.559 8.395 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.513 7.826 8.215 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.296 8.174 6.546 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.071 9.909 6.638 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.728 9.886 9.015 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.906 8.144 8.962 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.490 10.141 7.296 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.086 9.294 8.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.862 8.064 6.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.492 7.189 7.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.415 8.192 6.058 1.00 0.00 H new ATOM 748 N HIS A 55 3.488 9.262 7.594 1.00 0.00 N ATOM 749 CA HIS A 55 2.149 8.979 8.102 1.00 0.00 C ATOM 750 C HIS A 55 1.240 8.650 6.956 1.00 0.00 C ATOM 751 O HIS A 55 0.469 7.691 7.022 1.00 0.00 O ATOM 752 CB HIS A 55 1.597 10.189 8.860 1.00 0.00 C ATOM 753 CG HIS A 55 0.207 10.017 9.427 1.00 0.00 C ATOM 754 ND1 HIS A 55 -0.040 9.427 10.642 1.00 0.00 N ATOM 755 CD2 HIS A 55 -1.014 10.383 8.935 1.00 0.00 C ATOM 756 CE1 HIS A 55 -1.328 9.427 10.889 1.00 0.00 C ATOM 757 NE2 HIS A 55 -1.950 10.002 9.868 1.00 0.00 N ATOM 0 H HIS A 55 3.798 10.222 7.748 1.00 0.00 H new ATOM 0 HA HIS A 55 2.204 8.132 8.786 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.278 10.427 9.677 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.594 11.047 8.188 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -1.207 10.877 7.994 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -1.802 9.027 11.773 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -2.958 10.139 9.788 1.00 0.00 H new ATOM 765 N LEU A 56 1.328 9.435 5.922 1.00 0.00 N ATOM 766 CA LEU A 56 0.514 9.231 4.776 1.00 0.00 C ATOM 767 C LEU A 56 0.876 7.928 4.097 1.00 0.00 C ATOM 768 O LEU A 56 -0.019 7.156 3.776 1.00 0.00 O ATOM 769 CB LEU A 56 0.600 10.382 3.769 1.00 0.00 C ATOM 770 CG LEU A 56 -0.713 10.914 3.187 1.00 0.00 C ATOM 771 CD1 LEU A 56 -0.513 11.483 1.794 1.00 0.00 C ATOM 772 CD2 LEU A 56 -1.883 9.943 3.287 1.00 0.00 C ATOM 0 H LEU A 56 1.965 10.229 5.856 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.516 9.191 5.131 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.115 11.213 4.252 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.228 10.057 2.940 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.014 11.742 3.828 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.465 11.851 1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.203 12.303 1.835 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.134 10.703 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.772 10.399 2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.643 9.027 2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.072 9.707 4.334 1.00 0.00 H new ATOM 784 N ALA A 57 2.183 7.648 3.920 1.00 0.00 N ATOM 785 CA ALA A 57 2.609 6.388 3.300 1.00 0.00 C ATOM 786 C ALA A 57 2.000 5.201 4.051 1.00 0.00 C ATOM 787 O ALA A 57 1.456 4.255 3.436 1.00 0.00 O ATOM 788 CB ALA A 57 4.120 6.278 3.227 1.00 0.00 C ATOM 0 H ALA A 57 2.945 8.268 4.194 1.00 0.00 H new ATOM 0 HA ALA A 57 2.243 6.375 2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.394 5.331 2.762 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.517 7.102 2.634 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.537 6.322 4.233 1.00 0.00 H new ATOM 794 N ARG A 58 2.000 5.316 5.364 1.00 0.00 N ATOM 795 CA ARG A 58 1.443 4.282 6.248 1.00 0.00 C ATOM 796 C ARG A 58 -0.040 4.118 6.013 1.00 0.00 C ATOM 797 O ARG A 58 -0.555 3.009 5.769 1.00 0.00 O ATOM 798 CB ARG A 58 1.656 4.653 7.721 1.00 0.00 C ATOM 799 CG ARG A 58 3.080 4.581 8.194 1.00 0.00 C ATOM 800 CD ARG A 58 3.598 3.203 7.982 1.00 0.00 C ATOM 801 NE ARG A 58 4.903 2.983 8.605 1.00 0.00 N ATOM 802 CZ ARG A 58 5.806 2.085 8.203 1.00 0.00 C ATOM 803 NH1 ARG A 58 5.603 1.382 7.089 1.00 0.00 N ATOM 804 NH2 ARG A 58 6.918 1.902 8.918 1.00 0.00 N ATOM 0 H ARG A 58 2.382 6.122 5.858 1.00 0.00 H new ATOM 0 HA ARG A 58 1.960 3.350 6.021 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.286 5.666 7.882 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.050 3.990 8.338 1.00 0.00 H new ATOM 0 HG2 ARG A 58 3.693 5.300 7.650 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.139 4.846 9.250 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.883 2.486 8.385 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.675 3.010 6.912 1.00 0.00 H new ATOM 0 HE ARG A 58 5.142 3.561 9.410 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.756 1.529 6.540 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.295 0.697 6.785 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.074 2.446 9.766 1.00 0.00 H new ATOM 0 HH22 ARG A 58 7.612 1.218 8.616 1.00 0.00 H new ATOM 818 N LYS A 59 -0.692 5.225 6.073 1.00 0.00 N ATOM 819 CA LYS A 59 -2.121 5.344 5.959 1.00 0.00 C ATOM 820 C LYS A 59 -2.631 4.822 4.609 1.00 0.00 C ATOM 821 O LYS A 59 -3.635 4.113 4.548 1.00 0.00 O ATOM 822 CB LYS A 59 -2.476 6.811 6.162 1.00 0.00 C ATOM 823 CG LYS A 59 -3.933 7.178 6.085 1.00 0.00 C ATOM 824 CD LYS A 59 -4.074 8.655 6.378 1.00 0.00 C ATOM 825 CE LYS A 59 -5.494 9.130 6.291 1.00 0.00 C ATOM 826 NZ LYS A 59 -6.065 8.986 4.932 1.00 0.00 N ATOM 0 H LYS A 59 -0.229 6.123 6.210 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.607 4.730 6.717 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -2.100 7.119 7.138 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.939 7.396 5.415 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.329 6.949 5.096 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.509 6.593 6.802 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.687 8.862 7.376 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.462 9.221 5.675 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.104 8.568 6.998 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.541 10.177 6.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.067 9.265 4.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.544 9.596 4.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.986 7.995 4.625 1.00 0.00 H new ATOM 840 N LEU A 60 -1.943 5.177 3.544 1.00 0.00 N ATOM 841 CA LEU A 60 -2.309 4.744 2.196 1.00 0.00 C ATOM 842 C LEU A 60 -2.118 3.271 2.038 1.00 0.00 C ATOM 843 O LEU A 60 -2.967 2.595 1.451 1.00 0.00 O ATOM 844 CB LEU A 60 -1.502 5.526 1.190 1.00 0.00 C ATOM 845 CG LEU A 60 -1.760 6.998 1.300 1.00 0.00 C ATOM 846 CD1 LEU A 60 -0.667 7.821 0.664 1.00 0.00 C ATOM 847 CD2 LEU A 60 -3.096 7.326 0.713 1.00 0.00 C ATOM 0 H LEU A 60 -1.115 5.772 3.580 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.367 4.943 2.023 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.441 5.330 1.342 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.747 5.187 0.183 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.764 7.258 2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.901 8.880 0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.282 7.608 1.156 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.592 7.570 -0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.277 8.398 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.113 7.036 -0.338 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.873 6.784 1.252 1.00 0.00 H new ATOM 859 N THR A 61 -1.009 2.769 2.598 1.00 0.00 N ATOM 860 CA THR A 61 -0.738 1.342 2.589 1.00 0.00 C ATOM 861 C THR A 61 -1.893 0.636 3.244 1.00 0.00 C ATOM 862 O THR A 61 -2.417 -0.346 2.743 1.00 0.00 O ATOM 863 CB THR A 61 0.544 1.003 3.389 1.00 0.00 C ATOM 864 OG1 THR A 61 1.686 1.685 2.851 1.00 0.00 O ATOM 865 CG2 THR A 61 0.809 -0.489 3.372 1.00 0.00 C ATOM 0 H THR A 61 -0.295 3.333 3.058 1.00 0.00 H new ATOM 0 HA THR A 61 -0.601 1.025 1.555 1.00 0.00 H new ATOM 0 HB THR A 61 0.381 1.333 4.415 1.00 0.00 H new ATOM 0 HG1 THR A 61 1.606 2.646 3.027 1.00 0.00 H new ATOM 0 HG21 THR A 61 1.714 -0.704 3.940 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.034 -1.013 3.821 1.00 0.00 H new ATOM 0 HG23 THR A 61 0.938 -0.824 2.343 1.00 0.00 H new ATOM 873 N HIS A 62 -2.336 1.228 4.318 1.00 0.00 N ATOM 874 CA HIS A 62 -3.373 0.663 5.137 1.00 0.00 C ATOM 875 C HIS A 62 -4.739 0.689 4.413 1.00 0.00 C ATOM 876 O HIS A 62 -5.534 -0.242 4.563 1.00 0.00 O ATOM 877 CB HIS A 62 -3.393 1.377 6.505 1.00 0.00 C ATOM 878 CG HIS A 62 -4.441 0.953 7.508 1.00 0.00 C ATOM 879 ND1 HIS A 62 -4.166 0.130 8.573 1.00 0.00 N ATOM 880 CD2 HIS A 62 -5.735 1.331 7.659 1.00 0.00 C ATOM 881 CE1 HIS A 62 -5.224 0.021 9.339 1.00 0.00 C ATOM 882 NE2 HIS A 62 -6.200 0.741 8.811 1.00 0.00 N ATOM 0 H HIS A 62 -1.984 2.125 4.653 1.00 0.00 H new ATOM 0 HA HIS A 62 -3.162 -0.391 5.320 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.415 1.243 6.967 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -3.516 2.445 6.323 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -6.296 1.975 6.998 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -5.288 -0.559 10.248 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -7.140 0.842 9.194 1.00 0.00 H new ATOM 890 N GLY A 63 -4.991 1.712 3.620 1.00 0.00 N ATOM 891 CA GLY A 63 -6.258 1.800 2.913 1.00 0.00 C ATOM 892 C GLY A 63 -6.321 0.886 1.709 1.00 0.00 C ATOM 893 O GLY A 63 -7.355 0.271 1.459 1.00 0.00 O ATOM 0 H GLY A 63 -4.347 2.485 3.449 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.069 1.549 3.597 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -6.419 2.829 2.591 1.00 0.00 H new ATOM 897 N VAL A 64 -5.202 0.757 0.980 1.00 0.00 N ATOM 898 CA VAL A 64 -5.138 -0.164 -0.177 1.00 0.00 C ATOM 899 C VAL A 64 -5.350 -1.570 0.338 1.00 0.00 C ATOM 900 O VAL A 64 -6.180 -2.315 -0.174 1.00 0.00 O ATOM 901 CB VAL A 64 -3.763 -0.089 -0.933 1.00 0.00 C ATOM 902 CG1 VAL A 64 -3.666 -1.147 -2.050 1.00 0.00 C ATOM 903 CG2 VAL A 64 -3.555 1.296 -1.521 1.00 0.00 C ATOM 0 H VAL A 64 -4.338 1.268 1.163 1.00 0.00 H new ATOM 0 HA VAL A 64 -5.909 0.125 -0.891 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.981 -0.295 -0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.700 -1.062 -2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.765 -2.143 -1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.464 -0.985 -2.775 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.598 1.330 -2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.358 1.517 -2.224 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.560 2.036 -0.720 1.00 0.00 H new ATOM 913 N MET A 65 -4.706 -1.810 1.452 1.00 0.00 N ATOM 914 CA MET A 65 -4.702 -3.084 2.142 1.00 0.00 C ATOM 915 C MET A 65 -6.109 -3.465 2.557 1.00 0.00 C ATOM 916 O MET A 65 -6.580 -4.548 2.256 1.00 0.00 O ATOM 917 CB MET A 65 -3.794 -2.983 3.352 1.00 0.00 C ATOM 918 CG MET A 65 -3.826 -4.134 4.294 1.00 0.00 C ATOM 919 SD MET A 65 -2.740 -3.824 5.682 1.00 0.00 S ATOM 920 CE MET A 65 -3.195 -5.176 6.698 1.00 0.00 C ATOM 0 H MET A 65 -4.148 -1.099 1.925 1.00 0.00 H new ATOM 0 HA MET A 65 -4.330 -3.862 1.475 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.770 -2.855 3.002 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.058 -2.081 3.904 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.844 -4.296 4.648 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.519 -5.044 3.779 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.615 -5.149 7.621 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.257 -5.112 6.935 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.996 -6.110 6.172 1.00 0.00 H new ATOM 930 N ASN A 66 -6.781 -2.548 3.209 1.00 0.00 N ATOM 931 CA ASN A 66 -8.123 -2.770 3.689 1.00 0.00 C ATOM 932 C ASN A 66 -9.107 -2.966 2.560 1.00 0.00 C ATOM 933 O ASN A 66 -9.924 -3.895 2.601 1.00 0.00 O ATOM 934 CB ASN A 66 -8.557 -1.654 4.636 1.00 0.00 C ATOM 935 CG ASN A 66 -8.214 -1.940 6.075 1.00 0.00 C ATOM 936 OD1 ASN A 66 -8.992 -2.538 6.814 1.00 0.00 O ATOM 937 ND2 ASN A 66 -7.057 -1.528 6.484 1.00 0.00 N ATOM 0 H ASN A 66 -6.411 -1.622 3.423 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.116 -3.701 4.256 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.081 -0.721 4.333 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.633 -1.506 4.547 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.767 -1.697 7.447 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.436 -1.034 5.843 1.00 0.00 H new ATOM 944 N LYS A 67 -8.998 -2.156 1.530 1.00 0.00 N ATOM 945 CA LYS A 67 -9.912 -2.246 0.414 1.00 0.00 C ATOM 946 C LYS A 67 -9.751 -3.542 -0.357 1.00 0.00 C ATOM 947 O LYS A 67 -10.754 -4.172 -0.751 1.00 0.00 O ATOM 948 CB LYS A 67 -9.845 -1.009 -0.484 1.00 0.00 C ATOM 949 CG LYS A 67 -10.351 0.239 0.221 1.00 0.00 C ATOM 950 CD LYS A 67 -10.315 1.473 -0.660 1.00 0.00 C ATOM 951 CE LYS A 67 -10.933 2.650 0.075 1.00 0.00 C ATOM 952 NZ LYS A 67 -11.001 3.877 -0.742 1.00 0.00 N ATOM 0 H LYS A 67 -8.287 -1.430 1.442 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.919 -2.267 0.830 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.816 -0.851 -0.806 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.437 -1.182 -1.383 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.374 0.070 0.558 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.747 0.417 1.111 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.286 1.704 -0.935 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.858 1.285 -1.586 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.939 2.380 0.398 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.353 2.853 0.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.432 4.642 -0.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.041 4.156 -1.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.578 3.699 -1.589 1.00 0.00 H new ATOM 966 N GLU A 68 -8.530 -3.999 -0.535 1.00 0.00 N ATOM 967 CA GLU A 68 -8.362 -5.226 -1.212 1.00 0.00 C ATOM 968 C GLU A 68 -8.685 -6.385 -0.322 1.00 0.00 C ATOM 969 O GLU A 68 -9.260 -7.328 -0.765 1.00 0.00 O ATOM 970 CB GLU A 68 -7.044 -5.333 -1.900 1.00 0.00 C ATOM 971 CG GLU A 68 -5.818 -5.205 -1.039 1.00 0.00 C ATOM 972 CD GLU A 68 -4.612 -5.200 -1.905 1.00 0.00 C ATOM 973 OE1 GLU A 68 -4.443 -4.202 -2.654 1.00 0.00 O ATOM 974 OE2 GLU A 68 -3.862 -6.203 -1.906 1.00 0.00 O ATOM 0 H GLU A 68 -7.674 -3.541 -0.223 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.089 -5.257 -2.023 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -7.003 -6.296 -2.408 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.000 -4.564 -2.671 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.864 -4.286 -0.454 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.768 -6.032 -0.331 1.00 0.00 H new ATOM 981 N LEU A 69 -8.364 -6.298 0.955 1.00 0.00 N ATOM 982 CA LEU A 69 -8.807 -7.322 1.897 1.00 0.00 C ATOM 983 C LEU A 69 -10.322 -7.456 1.903 1.00 0.00 C ATOM 984 O LEU A 69 -10.839 -8.540 2.156 1.00 0.00 O ATOM 985 CB LEU A 69 -8.287 -7.070 3.311 1.00 0.00 C ATOM 986 CG LEU A 69 -6.816 -7.385 3.554 1.00 0.00 C ATOM 987 CD1 LEU A 69 -6.383 -6.890 4.922 1.00 0.00 C ATOM 988 CD2 LEU A 69 -6.583 -8.885 3.440 1.00 0.00 C ATOM 0 H LEU A 69 -7.809 -5.546 1.364 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.380 -8.264 1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.458 -6.022 3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.883 -7.662 4.006 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.219 -6.873 2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.330 -7.124 5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.527 -5.811 4.981 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.980 -7.379 5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.530 -9.104 3.615 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.189 -9.405 4.182 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.863 -9.222 2.442 1.00 0.00 H new ATOM 1000 N LYS A 70 -11.035 -6.378 1.603 1.00 0.00 N ATOM 1001 CA LYS A 70 -12.489 -6.445 1.504 1.00 0.00 C ATOM 1002 C LYS A 70 -12.912 -7.160 0.233 1.00 0.00 C ATOM 1003 O LYS A 70 -13.724 -8.071 0.263 1.00 0.00 O ATOM 1004 CB LYS A 70 -13.106 -5.047 1.504 1.00 0.00 C ATOM 1005 CG LYS A 70 -12.929 -4.293 2.783 1.00 0.00 C ATOM 1006 CD LYS A 70 -13.599 -2.915 2.738 1.00 0.00 C ATOM 1007 CE LYS A 70 -15.121 -3.008 2.601 1.00 0.00 C ATOM 1008 NZ LYS A 70 -15.748 -3.675 3.762 1.00 0.00 N ATOM 0 H LYS A 70 -10.637 -5.456 1.426 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.844 -6.999 2.373 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.665 -4.469 0.692 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -14.172 -5.134 1.292 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -13.348 -4.872 3.606 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.865 -4.172 2.988 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.352 -2.365 3.646 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.196 -2.346 1.900 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.536 -2.006 2.492 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.369 -3.556 1.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.782 -3.581 3.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.492 -4.683 3.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.412 -3.231 4.640 1.00 0.00 H new ATOM 1022 N TYR A 71 -12.330 -6.741 -0.866 1.00 0.00 N ATOM 1023 CA TYR A 71 -12.690 -7.248 -2.217 1.00 0.00 C ATOM 1024 C TYR A 71 -11.909 -8.496 -2.644 1.00 0.00 C ATOM 1025 O TYR A 71 -12.032 -8.963 -3.778 1.00 0.00 O ATOM 1026 CB TYR A 71 -12.521 -6.133 -3.269 1.00 0.00 C ATOM 1027 CG TYR A 71 -13.525 -4.991 -3.140 1.00 0.00 C ATOM 1028 CD1 TYR A 71 -13.658 -4.301 -1.956 1.00 0.00 C ATOM 1029 CD2 TYR A 71 -14.331 -4.615 -4.204 1.00 0.00 C ATOM 1030 CE1 TYR A 71 -14.548 -3.274 -1.811 1.00 0.00 C ATOM 1031 CE2 TYR A 71 -15.236 -3.572 -4.078 1.00 0.00 C ATOM 1032 CZ TYR A 71 -15.338 -2.904 -2.872 1.00 0.00 C ATOM 1033 OH TYR A 71 -16.221 -1.851 -2.730 1.00 0.00 O ATOM 0 H TYR A 71 -11.590 -6.039 -0.874 1.00 0.00 H new ATOM 0 HA TYR A 71 -13.735 -7.551 -2.154 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -11.513 -5.726 -3.191 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -12.612 -6.571 -4.263 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -13.040 -4.580 -1.116 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -14.253 -5.142 -5.144 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.630 -2.756 -0.867 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -15.856 -3.284 -4.914 1.00 0.00 H new ATOM 0 HH TYR A 71 -16.705 -1.714 -3.571 1.00 0.00 H new ATOM 1043 N CYS A 72 -11.134 -9.029 -1.756 1.00 0.00 N ATOM 1044 CA CYS A 72 -10.350 -10.228 -2.021 1.00 0.00 C ATOM 1045 C CYS A 72 -10.667 -11.262 -0.987 1.00 0.00 C ATOM 1046 O CYS A 72 -10.922 -12.431 -1.321 1.00 0.00 O ATOM 1047 CB CYS A 72 -8.842 -9.931 -2.053 1.00 0.00 C ATOM 1048 SG CYS A 72 -8.303 -8.944 -3.467 1.00 0.00 S ATOM 0 H CYS A 72 -11.015 -8.655 -0.815 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.618 -10.605 -3.008 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -8.568 -9.409 -1.136 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -8.298 -10.876 -2.057 1.00 0.00 H new ATOM 0 HG CYS A 72 -7.020 -8.750 -3.397 1.00 0.00 H new ATOM 1054 N LYS A 73 -10.644 -10.833 0.288 1.00 0.00 N ATOM 1055 CA LYS A 73 -11.028 -11.647 1.463 1.00 0.00 C ATOM 1056 C LYS A 73 -10.014 -12.747 1.800 1.00 0.00 C ATOM 1057 O LYS A 73 -9.847 -13.114 2.961 1.00 0.00 O ATOM 1058 CB LYS A 73 -12.444 -12.199 1.286 1.00 0.00 C ATOM 1059 CG LYS A 73 -13.482 -11.094 1.125 1.00 0.00 C ATOM 1060 CD LYS A 73 -14.823 -11.647 0.713 1.00 0.00 C ATOM 1061 CE LYS A 73 -15.856 -10.543 0.564 1.00 0.00 C ATOM 1062 NZ LYS A 73 -16.118 -9.845 1.842 1.00 0.00 N ATOM 0 H LYS A 73 -10.351 -9.889 0.539 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.022 -10.984 2.328 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.471 -12.849 0.412 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.702 -12.813 2.148 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.585 -10.551 2.065 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.139 -10.377 0.379 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.723 -12.183 -0.231 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.164 -12.369 1.455 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.510 -9.822 -0.177 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.786 -10.967 0.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.973 -9.260 1.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.259 -10.546 2.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.307 -9.238 2.079 1.00 0.00 H new ATOM 1076 N ASN A 74 -9.348 -13.257 0.803 1.00 0.00 N ATOM 1077 CA ASN A 74 -8.336 -14.259 0.987 1.00 0.00 C ATOM 1078 C ASN A 74 -6.975 -13.653 0.718 1.00 0.00 C ATOM 1079 O ASN A 74 -6.627 -13.344 -0.417 1.00 0.00 O ATOM 1080 CB ASN A 74 -8.617 -15.481 0.114 1.00 0.00 C ATOM 1081 CG ASN A 74 -9.866 -16.215 0.574 1.00 0.00 C ATOM 1082 OD1 ASN A 74 -10.165 -16.272 1.775 1.00 0.00 O ATOM 1083 ND2 ASN A 74 -10.637 -16.711 -0.350 1.00 0.00 N ATOM 0 H ASN A 74 -9.493 -12.987 -0.170 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.348 -14.610 2.019 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.738 -15.169 -0.923 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -7.763 -16.157 0.146 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.515 -17.162 -0.094 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.363 -16.648 -1.331 1.00 0.00 H new ATOM 1090 N PRO A 75 -6.193 -13.437 1.780 1.00 0.00 N ATOM 1091 CA PRO A 75 -4.894 -12.746 1.706 1.00 0.00 C ATOM 1092 C PRO A 75 -3.752 -13.489 1.059 1.00 0.00 C ATOM 1093 O PRO A 75 -2.612 -13.036 1.074 1.00 0.00 O ATOM 1094 CB PRO A 75 -4.538 -12.466 3.105 1.00 0.00 C ATOM 1095 CG PRO A 75 -5.369 -13.400 3.963 1.00 0.00 C ATOM 1096 CD PRO A 75 -6.546 -13.812 3.164 1.00 0.00 C ATOM 0 HA PRO A 75 -5.026 -11.877 1.061 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.474 -12.630 3.274 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.743 -11.425 3.355 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -4.784 -14.270 4.260 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.684 -12.900 4.879 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.732 -14.882 3.252 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -7.451 -13.303 3.496 1.00 0.00 H new ATOM 1104 N GLU A 76 -4.056 -14.592 0.494 1.00 0.00 N ATOM 1105 CA GLU A 76 -3.137 -15.341 -0.333 1.00 0.00 C ATOM 1106 C GLU A 76 -2.859 -14.507 -1.599 1.00 0.00 C ATOM 1107 O GLU A 76 -1.855 -14.662 -2.281 1.00 0.00 O ATOM 1108 CB GLU A 76 -3.774 -16.726 -0.635 1.00 0.00 C ATOM 1109 CG GLU A 76 -2.869 -17.810 -1.256 1.00 0.00 C ATOM 1110 CD GLU A 76 -2.716 -17.732 -2.756 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -3.659 -18.146 -3.482 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -1.664 -17.283 -3.246 1.00 0.00 O ATOM 0 H GLU A 76 -4.973 -15.029 0.584 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.181 -15.527 0.157 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.178 -17.120 0.297 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -4.618 -16.568 -1.307 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.881 -17.741 -0.801 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.271 -18.790 -0.997 1.00 0.00 H new ATOM 1119 N ASP A 77 -3.722 -13.537 -1.800 1.00 0.00 N ATOM 1120 CA ASP A 77 -3.651 -12.629 -2.939 1.00 0.00 C ATOM 1121 C ASP A 77 -3.360 -11.237 -2.484 1.00 0.00 C ATOM 1122 O ASP A 77 -3.356 -10.290 -3.276 1.00 0.00 O ATOM 1123 CB ASP A 77 -4.923 -12.633 -3.770 1.00 0.00 C ATOM 1124 CG ASP A 77 -5.021 -13.819 -4.682 1.00 0.00 C ATOM 1125 OD1 ASP A 77 -4.102 -14.008 -5.518 1.00 0.00 O ATOM 1126 OD2 ASP A 77 -6.034 -14.549 -4.638 1.00 0.00 O ATOM 0 H ASP A 77 -4.505 -13.348 -1.174 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.840 -12.989 -3.572 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.786 -12.621 -3.104 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -4.966 -11.720 -4.364 1.00 0.00 H new ATOM 1131 N LEU A 78 -3.110 -11.099 -1.211 1.00 0.00 N ATOM 1132 CA LEU A 78 -2.782 -9.854 -0.659 1.00 0.00 C ATOM 1133 C LEU A 78 -1.288 -9.715 -0.797 1.00 0.00 C ATOM 1134 O LEU A 78 -0.502 -10.274 -0.015 1.00 0.00 O ATOM 1135 CB LEU A 78 -3.179 -9.843 0.781 1.00 0.00 C ATOM 1136 CG LEU A 78 -2.954 -8.573 1.505 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -3.994 -7.532 1.178 1.00 0.00 C ATOM 1138 CD2 LEU A 78 -2.824 -8.791 2.962 1.00 0.00 C ATOM 0 H LEU A 78 -3.134 -11.866 -0.539 1.00 0.00 H new ATOM 0 HA LEU A 78 -3.294 -9.031 -1.158 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -4.238 -10.094 0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.631 -10.633 1.295 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.002 -8.175 1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.783 -6.619 1.735 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.971 -7.318 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.981 -7.905 1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.660 -7.835 3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.737 -9.247 3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.979 -9.452 3.157 1.00 0.00 H new ATOM 1150 N GLU A 79 -0.927 -9.053 -1.819 1.00 0.00 N ATOM 1151 CA GLU A 79 0.397 -8.891 -2.234 1.00 0.00 C ATOM 1152 C GLU A 79 0.515 -7.539 -2.844 1.00 0.00 C ATOM 1153 O GLU A 79 -0.425 -7.058 -3.444 1.00 0.00 O ATOM 1154 CB GLU A 79 0.632 -9.920 -3.317 1.00 0.00 C ATOM 1155 CG GLU A 79 1.925 -9.802 -4.057 1.00 0.00 C ATOM 1156 CD GLU A 79 3.138 -9.991 -3.183 1.00 0.00 C ATOM 1157 OE1 GLU A 79 3.519 -9.034 -2.470 1.00 0.00 O ATOM 1158 OE2 GLU A 79 3.741 -11.080 -3.204 1.00 0.00 O ATOM 0 H GLU A 79 -1.595 -8.579 -2.427 1.00 0.00 H new ATOM 0 HA GLU A 79 1.104 -9.002 -1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.582 -10.911 -2.867 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.184 -9.855 -4.037 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.945 -10.542 -4.857 1.00 0.00 H new ATOM 0 HG3 GLU A 79 1.976 -8.821 -4.529 1.00 0.00 H new ATOM 1165 N CYS A 80 1.670 -6.965 -2.750 1.00 0.00 N ATOM 1166 CA CYS A 80 1.944 -5.729 -3.396 1.00 0.00 C ATOM 1167 C CYS A 80 2.362 -6.073 -4.793 1.00 0.00 C ATOM 1168 O CYS A 80 3.536 -6.052 -5.151 1.00 0.00 O ATOM 1169 CB CYS A 80 3.016 -4.922 -2.644 1.00 0.00 C ATOM 1170 SG CYS A 80 3.653 -3.459 -3.505 1.00 0.00 S ATOM 0 H CYS A 80 2.453 -7.345 -2.219 1.00 0.00 H new ATOM 0 HA CYS A 80 1.065 -5.084 -3.408 1.00 0.00 H new ATOM 0 HB2 CYS A 80 2.600 -4.605 -1.688 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.854 -5.584 -2.424 1.00 0.00 H new ATOM 0 HG CYS A 80 4.800 -3.121 -2.995 1.00 0.00 H new ATOM 1176 N ASN A 81 1.402 -6.516 -5.554 1.00 0.00 N ATOM 1177 CA ASN A 81 1.676 -6.963 -6.879 1.00 0.00 C ATOM 1178 C ASN A 81 1.375 -5.861 -7.810 1.00 0.00 C ATOM 1179 O ASN A 81 0.928 -4.817 -7.406 1.00 0.00 O ATOM 1180 CB ASN A 81 0.872 -8.200 -7.265 1.00 0.00 C ATOM 1181 CG ASN A 81 -0.612 -7.888 -7.432 1.00 0.00 C ATOM 1182 OD1 ASN A 81 -1.018 -7.433 -8.405 1.00 0.00 O ATOM 1183 ND2 ASN A 81 -1.389 -8.132 -6.498 1.00 0.00 N ATOM 0 H ASN A 81 0.423 -6.575 -5.274 1.00 0.00 H new ATOM 0 HA ASN A 81 2.727 -7.248 -6.930 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.263 -8.611 -8.196 1.00 0.00 H new ATOM 0 HB3 ASN A 81 0.997 -8.967 -6.501 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.384 -7.929 -6.596 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.034 -8.536 -5.631 1.00 0.00 H new ATOM 1190 N GLU A 82 1.600 -6.141 -9.024 1.00 0.00 N ATOM 1191 CA GLU A 82 1.390 -5.289 -10.147 1.00 0.00 C ATOM 1192 C GLU A 82 -0.011 -4.623 -10.124 1.00 0.00 C ATOM 1193 O GLU A 82 -0.129 -3.403 -10.156 1.00 0.00 O ATOM 1194 CB GLU A 82 1.510 -6.183 -11.314 1.00 0.00 C ATOM 1195 CG GLU A 82 1.542 -5.498 -12.622 1.00 0.00 C ATOM 1196 CD GLU A 82 1.584 -6.476 -13.754 1.00 0.00 C ATOM 1197 OE1 GLU A 82 0.514 -6.958 -14.177 1.00 0.00 O ATOM 1198 OE2 GLU A 82 2.688 -6.826 -14.221 1.00 0.00 O ATOM 0 H GLU A 82 1.970 -7.051 -9.299 1.00 0.00 H new ATOM 0 HA GLU A 82 2.106 -4.467 -10.159 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.419 -6.775 -11.208 1.00 0.00 H new ATOM 0 HB3 GLU A 82 0.673 -6.881 -11.306 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.662 -4.862 -12.722 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.414 -4.846 -12.671 1.00 0.00 H new ATOM 1205 N ASN A 83 -1.030 -5.460 -10.031 1.00 0.00 N ATOM 1206 CA ASN A 83 -2.443 -5.079 -9.935 1.00 0.00 C ATOM 1207 C ASN A 83 -2.597 -4.149 -8.765 1.00 0.00 C ATOM 1208 O ASN A 83 -3.167 -3.047 -8.886 1.00 0.00 O ATOM 1209 CB ASN A 83 -3.307 -6.341 -9.645 1.00 0.00 C ATOM 1210 CG ASN A 83 -4.813 -6.120 -9.771 1.00 0.00 C ATOM 1211 OD1 ASN A 83 -5.326 -5.006 -9.621 1.00 0.00 O ATOM 1212 ND2 ASN A 83 -5.537 -7.182 -10.028 1.00 0.00 N ATOM 0 H ASN A 83 -0.897 -6.471 -10.019 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.760 -4.611 -10.867 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -3.010 -7.134 -10.331 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.087 -6.693 -8.637 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.551 -7.101 -10.109 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.087 -8.089 -10.147 1.00 0.00 H new ATOM 1219 N VAL A 84 -2.057 -4.575 -7.623 1.00 0.00 N ATOM 1220 CA VAL A 84 -2.155 -3.777 -6.421 1.00 0.00 C ATOM 1221 C VAL A 84 -1.440 -2.436 -6.570 1.00 0.00 C ATOM 1222 O VAL A 84 -1.998 -1.400 -6.229 1.00 0.00 O ATOM 1223 CB VAL A 84 -1.679 -4.559 -5.197 1.00 0.00 C ATOM 1224 CG1 VAL A 84 -1.548 -3.679 -3.977 1.00 0.00 C ATOM 1225 CG2 VAL A 84 -2.664 -5.651 -4.919 1.00 0.00 C ATOM 0 H VAL A 84 -1.556 -5.457 -7.514 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.208 -3.547 -6.262 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.692 -4.967 -5.413 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.207 -4.277 -3.132 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.826 -2.887 -4.176 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.516 -3.237 -3.742 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.340 -6.220 -4.048 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.644 -5.216 -4.724 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.726 -6.313 -5.782 1.00 0.00 H new ATOM 1235 N LYS A 85 -0.243 -2.468 -7.118 1.00 0.00 N ATOM 1236 CA LYS A 85 0.555 -1.267 -7.376 1.00 0.00 C ATOM 1237 C LYS A 85 -0.204 -0.317 -8.223 1.00 0.00 C ATOM 1238 O LYS A 85 -0.367 0.822 -7.856 1.00 0.00 O ATOM 1239 CB LYS A 85 1.856 -1.617 -8.061 1.00 0.00 C ATOM 1240 CG LYS A 85 2.771 -2.405 -7.198 1.00 0.00 C ATOM 1241 CD LYS A 85 3.975 -2.871 -7.948 1.00 0.00 C ATOM 1242 CE LYS A 85 4.673 -3.911 -7.145 1.00 0.00 C ATOM 1243 NZ LYS A 85 5.919 -4.383 -7.770 1.00 0.00 N ATOM 0 H LYS A 85 0.216 -3.333 -7.403 1.00 0.00 H new ATOM 0 HA LYS A 85 0.777 -0.802 -6.415 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.642 -2.183 -8.967 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.357 -0.699 -8.369 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.084 -1.797 -6.349 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.238 -3.266 -6.794 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.682 -3.277 -8.916 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.645 -2.033 -8.143 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.899 -3.508 -6.158 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.003 -4.758 -6.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.359 -5.105 -7.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.706 -4.794 -8.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.574 -3.583 -7.886 1.00 0.00 H new ATOM 1257 N HIS A 86 -0.727 -0.840 -9.305 1.00 0.00 N ATOM 1258 CA HIS A 86 -1.526 -0.101 -10.286 1.00 0.00 C ATOM 1259 C HIS A 86 -2.631 0.677 -9.550 1.00 0.00 C ATOM 1260 O HIS A 86 -2.750 1.920 -9.627 1.00 0.00 O ATOM 1261 CB HIS A 86 -2.139 -1.148 -11.237 1.00 0.00 C ATOM 1262 CG HIS A 86 -2.964 -0.641 -12.372 1.00 0.00 C ATOM 1263 ND1 HIS A 86 -2.534 -0.692 -13.668 1.00 0.00 N ATOM 1264 CD2 HIS A 86 -4.229 -0.180 -12.416 1.00 0.00 C ATOM 1265 CE1 HIS A 86 -3.479 -0.300 -14.463 1.00 0.00 C ATOM 1266 NE2 HIS A 86 -4.536 0.018 -13.735 1.00 0.00 N ATOM 0 H HIS A 86 -0.611 -1.824 -9.547 1.00 0.00 H new ATOM 0 HA HIS A 86 -0.924 0.614 -10.846 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -1.326 -1.745 -11.651 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -2.758 -1.821 -10.644 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -4.878 -0.001 -11.571 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -3.414 -0.243 -15.540 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -5.429 0.354 -14.095 1.00 0.00 H new ATOM 1274 N LYS A 87 -3.358 -0.068 -8.774 1.00 0.00 N ATOM 1275 CA LYS A 87 -4.486 0.415 -8.004 1.00 0.00 C ATOM 1276 C LYS A 87 -4.032 1.453 -6.985 1.00 0.00 C ATOM 1277 O LYS A 87 -4.687 2.468 -6.786 1.00 0.00 O ATOM 1278 CB LYS A 87 -5.184 -0.793 -7.371 1.00 0.00 C ATOM 1279 CG LYS A 87 -6.337 -0.516 -6.443 1.00 0.00 C ATOM 1280 CD LYS A 87 -7.109 -1.812 -6.148 1.00 0.00 C ATOM 1281 CE LYS A 87 -6.276 -2.893 -5.413 1.00 0.00 C ATOM 1282 NZ LYS A 87 -6.020 -2.558 -3.994 1.00 0.00 N ATOM 0 H LYS A 87 -3.184 -1.065 -8.649 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.206 0.926 -8.642 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -5.545 -1.434 -8.175 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -4.437 -1.364 -6.820 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.968 -0.085 -5.512 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -7.005 0.219 -6.892 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.984 -1.571 -5.545 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.474 -2.227 -7.088 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.800 -3.847 -5.467 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.324 -3.023 -5.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.229 -3.132 -3.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.779 -1.549 -3.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.872 -2.757 -3.431 1.00 0.00 H new ATOM 1296 N THR A 88 -2.881 1.240 -6.477 1.00 0.00 N ATOM 1297 CA THR A 88 -2.335 2.013 -5.462 1.00 0.00 C ATOM 1298 C THR A 88 -1.887 3.340 -5.955 1.00 0.00 C ATOM 1299 O THR A 88 -2.399 4.321 -5.521 1.00 0.00 O ATOM 1300 CB THR A 88 -1.193 1.275 -4.840 1.00 0.00 C ATOM 1301 OG1 THR A 88 -1.700 0.169 -4.105 1.00 0.00 O ATOM 1302 CG2 THR A 88 -0.362 2.181 -3.988 1.00 0.00 C ATOM 0 H THR A 88 -2.272 0.480 -6.781 1.00 0.00 H new ATOM 0 HA THR A 88 -3.109 2.194 -4.716 1.00 0.00 H new ATOM 0 HB THR A 88 -0.534 0.900 -5.623 1.00 0.00 H new ATOM 0 HG1 THR A 88 -1.909 -0.565 -4.720 1.00 0.00 H new ATOM 0 HG21 THR A 88 0.460 1.615 -3.550 1.00 0.00 H new ATOM 0 HG22 THR A 88 0.039 2.989 -4.600 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.979 2.600 -3.193 1.00 0.00 H new ATOM 1310 N LYS A 89 -0.973 3.364 -6.887 1.00 0.00 N ATOM 1311 CA LYS A 89 -0.450 4.608 -7.364 1.00 0.00 C ATOM 1312 C LYS A 89 -1.535 5.473 -8.017 1.00 0.00 C ATOM 1313 O LYS A 89 -1.523 6.711 -7.895 1.00 0.00 O ATOM 1314 CB LYS A 89 0.805 4.394 -8.240 1.00 0.00 C ATOM 1315 CG LYS A 89 0.741 3.181 -9.141 1.00 0.00 C ATOM 1316 CD LYS A 89 -0.220 3.334 -10.233 1.00 0.00 C ATOM 1317 CE LYS A 89 0.351 4.113 -11.392 1.00 0.00 C ATOM 1318 NZ LYS A 89 1.418 3.362 -12.089 1.00 0.00 N ATOM 0 H LYS A 89 -0.577 2.534 -7.329 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.110 5.186 -6.505 1.00 0.00 H new ATOM 0 HB2 LYS A 89 0.959 5.280 -8.855 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.675 4.303 -7.590 1.00 0.00 H new ATOM 0 HG2 LYS A 89 1.730 2.992 -9.558 1.00 0.00 H new ATOM 0 HG3 LYS A 89 0.473 2.307 -8.547 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.533 2.349 -10.579 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -1.111 3.840 -9.862 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -0.445 4.351 -12.097 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.751 5.061 -11.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 1.525 3.728 -13.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 2.315 3.475 -11.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.165 2.354 -12.127 1.00 0.00 H new ATOM 1332 N GLU A 90 -2.511 4.809 -8.666 1.00 0.00 N ATOM 1333 CA GLU A 90 -3.652 5.535 -9.223 1.00 0.00 C ATOM 1334 C GLU A 90 -4.538 6.089 -8.108 1.00 0.00 C ATOM 1335 O GLU A 90 -5.002 7.272 -8.169 1.00 0.00 O ATOM 1336 CB GLU A 90 -4.454 4.691 -10.202 1.00 0.00 C ATOM 1337 CG GLU A 90 -3.698 4.401 -11.488 1.00 0.00 C ATOM 1338 CD GLU A 90 -4.557 3.821 -12.577 1.00 0.00 C ATOM 1339 OE1 GLU A 90 -5.704 4.279 -12.758 1.00 0.00 O ATOM 1340 OE2 GLU A 90 -4.066 2.974 -13.339 1.00 0.00 O ATOM 0 H GLU A 90 -2.528 3.800 -8.811 1.00 0.00 H new ATOM 0 HA GLU A 90 -3.253 6.375 -9.792 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.725 3.749 -9.725 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.384 5.206 -10.441 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.244 5.324 -11.848 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.884 3.709 -11.272 1.00 0.00 H new ATOM 1347 N TYR A 91 -4.667 5.302 -7.039 1.00 0.00 N ATOM 1348 CA TYR A 91 -5.441 5.709 -5.891 1.00 0.00 C ATOM 1349 C TYR A 91 -4.752 6.877 -5.239 1.00 0.00 C ATOM 1350 O TYR A 91 -5.376 7.850 -4.941 1.00 0.00 O ATOM 1351 CB TYR A 91 -5.603 4.546 -4.890 1.00 0.00 C ATOM 1352 CG TYR A 91 -5.842 4.969 -3.464 1.00 0.00 C ATOM 1353 CD1 TYR A 91 -6.996 5.629 -3.091 1.00 0.00 C ATOM 1354 CD2 TYR A 91 -4.889 4.707 -2.494 1.00 0.00 C ATOM 1355 CE1 TYR A 91 -7.194 6.021 -1.791 1.00 0.00 C ATOM 1356 CE2 TYR A 91 -5.079 5.091 -1.196 1.00 0.00 C ATOM 1357 CZ TYR A 91 -6.234 5.750 -0.848 1.00 0.00 C ATOM 1358 OH TYR A 91 -6.432 6.142 0.454 1.00 0.00 O ATOM 0 H TYR A 91 -4.240 4.379 -6.955 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.441 6.001 -6.213 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -6.435 3.920 -5.213 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.706 3.927 -4.925 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.753 5.839 -3.832 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -3.981 4.191 -2.768 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.099 6.539 -1.512 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.328 4.878 -0.450 1.00 0.00 H new ATOM 0 HH TYR A 91 -5.794 5.678 1.036 1.00 0.00 H new ATOM 1368 N ILE A 92 -3.447 6.743 -5.043 1.00 0.00 N ATOM 1369 CA ILE A 92 -2.595 7.783 -4.464 1.00 0.00 C ATOM 1370 C ILE A 92 -2.789 9.095 -5.142 1.00 0.00 C ATOM 1371 O ILE A 92 -3.090 10.078 -4.470 1.00 0.00 O ATOM 1372 CB ILE A 92 -1.103 7.409 -4.571 1.00 0.00 C ATOM 1373 CG1 ILE A 92 -0.792 6.146 -3.775 1.00 0.00 C ATOM 1374 CG2 ILE A 92 -0.208 8.582 -4.148 1.00 0.00 C ATOM 1375 CD1 ILE A 92 -0.552 6.359 -2.339 1.00 0.00 C ATOM 0 H ILE A 92 -2.937 5.893 -5.285 1.00 0.00 H new ATOM 0 HA ILE A 92 -2.886 7.865 -3.417 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.885 7.194 -5.617 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.622 5.449 -3.890 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.087 5.669 -4.208 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.839 8.290 -4.233 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.400 9.438 -4.795 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.426 8.852 -3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.340 5.403 -1.860 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.299 7.028 -2.208 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -1.437 6.804 -1.884 1.00 0.00 H new ATOM 1387 N LYS A 93 -2.605 9.121 -6.449 1.00 0.00 N ATOM 1388 CA LYS A 93 -2.763 10.350 -7.175 1.00 0.00 C ATOM 1389 C LYS A 93 -4.117 10.933 -6.919 1.00 0.00 C ATOM 1390 O LYS A 93 -4.228 12.053 -6.382 1.00 0.00 O ATOM 1391 CB LYS A 93 -2.511 10.175 -8.669 1.00 0.00 C ATOM 1392 CG LYS A 93 -1.075 9.838 -8.988 1.00 0.00 C ATOM 1393 CD LYS A 93 -0.809 9.858 -10.475 1.00 0.00 C ATOM 1394 CE LYS A 93 0.675 9.717 -10.755 1.00 0.00 C ATOM 1395 NZ LYS A 93 1.465 10.796 -10.103 1.00 0.00 N ATOM 0 H LYS A 93 -2.350 8.313 -7.016 1.00 0.00 H new ATOM 0 HA LYS A 93 -2.008 11.047 -6.812 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -3.158 9.385 -9.051 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -2.787 11.092 -9.189 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -0.416 10.550 -8.492 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -0.836 8.852 -8.590 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.354 9.047 -10.958 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.178 10.790 -10.903 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.022 8.747 -10.399 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.846 9.741 -11.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.384 10.890 -10.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.946 11.695 -10.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.618 10.558 -9.102 1.00 0.00 H new ATOM 1409 N LYS A 94 -5.134 10.117 -7.106 1.00 0.00 N ATOM 1410 CA LYS A 94 -6.486 10.609 -7.009 1.00 0.00 C ATOM 1411 C LYS A 94 -6.751 11.079 -5.590 1.00 0.00 C ATOM 1412 O LYS A 94 -7.436 12.076 -5.375 1.00 0.00 O ATOM 1413 CB LYS A 94 -7.501 9.540 -7.451 1.00 0.00 C ATOM 1414 CG LYS A 94 -8.972 9.964 -7.431 1.00 0.00 C ATOM 1415 CD LYS A 94 -9.253 11.103 -8.404 1.00 0.00 C ATOM 1416 CE LYS A 94 -10.742 11.428 -8.474 1.00 0.00 C ATOM 1417 NZ LYS A 94 -11.296 11.887 -7.179 1.00 0.00 N ATOM 0 H LYS A 94 -5.049 9.124 -7.323 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.607 11.455 -7.685 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.248 9.223 -8.463 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -7.386 8.669 -6.806 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.599 9.109 -7.684 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.246 10.273 -6.422 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.701 11.990 -8.095 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -8.892 10.832 -9.396 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -10.905 12.200 -9.226 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -11.286 10.543 -8.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.288 12.173 -7.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -11.246 11.113 -6.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -10.744 12.698 -6.833 1.00 0.00 H new ATOM 1431 N TYR A 95 -6.159 10.392 -4.651 1.00 0.00 N ATOM 1432 CA TYR A 95 -6.276 10.718 -3.288 1.00 0.00 C ATOM 1433 C TYR A 95 -5.662 12.072 -2.988 1.00 0.00 C ATOM 1434 O TYR A 95 -6.301 12.925 -2.447 1.00 0.00 O ATOM 1435 CB TYR A 95 -5.615 9.635 -2.486 1.00 0.00 C ATOM 1436 CG TYR A 95 -5.487 9.945 -1.038 1.00 0.00 C ATOM 1437 CD1 TYR A 95 -6.588 9.921 -0.201 1.00 0.00 C ATOM 1438 CD2 TYR A 95 -4.270 10.291 -0.507 1.00 0.00 C ATOM 1439 CE1 TYR A 95 -6.460 10.223 1.123 1.00 0.00 C ATOM 1440 CE2 TYR A 95 -4.146 10.586 0.810 1.00 0.00 C ATOM 1441 CZ TYR A 95 -5.239 10.547 1.622 1.00 0.00 C ATOM 1442 OH TYR A 95 -5.113 10.827 2.951 1.00 0.00 O ATOM 0 H TYR A 95 -5.574 9.577 -4.834 1.00 0.00 H new ATOM 0 HA TYR A 95 -7.330 10.787 -3.019 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.186 8.713 -2.600 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -4.622 9.448 -2.896 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -7.558 9.661 -0.599 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.400 10.329 -1.146 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.324 10.205 1.771 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.181 10.852 1.216 1.00 0.00 H new ATOM 0 HH TYR A 95 -5.949 11.214 3.284 1.00 0.00 H new ATOM 1452 N MET A 96 -4.435 12.272 -3.377 1.00 0.00 N ATOM 1453 CA MET A 96 -3.754 13.492 -3.077 1.00 0.00 C ATOM 1454 C MET A 96 -4.381 14.691 -3.762 1.00 0.00 C ATOM 1455 O MET A 96 -4.195 15.830 -3.324 1.00 0.00 O ATOM 1456 CB MET A 96 -2.287 13.379 -3.379 1.00 0.00 C ATOM 1457 CG MET A 96 -1.652 12.176 -2.689 1.00 0.00 C ATOM 1458 SD MET A 96 0.029 12.410 -2.188 1.00 0.00 S ATOM 1459 CE MET A 96 -0.188 13.790 -1.109 1.00 0.00 C ATOM 0 H MET A 96 -3.884 11.597 -3.907 1.00 0.00 H new ATOM 0 HA MET A 96 -3.862 13.664 -2.006 1.00 0.00 H new ATOM 0 HB2 MET A 96 -2.144 13.296 -4.456 1.00 0.00 H new ATOM 0 HB3 MET A 96 -1.780 14.289 -3.059 1.00 0.00 H new ATOM 0 HG2 MET A 96 -2.246 11.923 -1.811 1.00 0.00 H new ATOM 0 HG3 MET A 96 -1.700 11.321 -3.363 1.00 0.00 H new ATOM 0 HE1 MET A 96 0.711 13.927 -0.508 1.00 0.00 H new ATOM 0 HE2 MET A 96 -0.370 14.688 -1.699 1.00 0.00 H new ATOM 0 HE3 MET A 96 -1.039 13.608 -0.452 1.00 0.00 H new ATOM 1469 N GLN A 97 -5.175 14.428 -4.806 1.00 0.00 N ATOM 1470 CA GLN A 97 -5.859 15.512 -5.508 1.00 0.00 C ATOM 1471 C GLN A 97 -6.894 16.201 -4.610 1.00 0.00 C ATOM 1472 O GLN A 97 -7.316 17.333 -4.894 1.00 0.00 O ATOM 1473 CB GLN A 97 -6.525 15.054 -6.812 1.00 0.00 C ATOM 1474 CG GLN A 97 -5.629 14.264 -7.755 1.00 0.00 C ATOM 1475 CD GLN A 97 -4.244 14.855 -7.937 1.00 0.00 C ATOM 1476 OE1 GLN A 97 -4.007 15.692 -8.801 1.00 0.00 O ATOM 1477 NE2 GLN A 97 -3.312 14.378 -7.139 1.00 0.00 N ATOM 0 H GLN A 97 -5.356 13.494 -5.175 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.081 16.229 -5.770 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -7.392 14.442 -6.563 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.896 15.933 -7.340 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -5.531 13.246 -7.377 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.114 14.197 -8.729 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.552 13.682 -6.433 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -2.350 14.704 -7.227 1.00 0.00 H new ATOM 1486 N LYS A 98 -7.293 15.531 -3.530 1.00 0.00 N ATOM 1487 CA LYS A 98 -8.294 16.084 -2.631 1.00 0.00 C ATOM 1488 C LYS A 98 -7.689 17.093 -1.665 1.00 0.00 C ATOM 1489 O LYS A 98 -8.395 17.925 -1.107 1.00 0.00 O ATOM 1490 CB LYS A 98 -9.026 14.945 -1.881 1.00 0.00 C ATOM 1491 CG LYS A 98 -8.226 14.216 -0.812 1.00 0.00 C ATOM 1492 CD LYS A 98 -8.200 14.909 0.568 1.00 0.00 C ATOM 1493 CE LYS A 98 -9.563 15.042 1.280 1.00 0.00 C ATOM 1494 NZ LYS A 98 -10.568 15.911 0.602 1.00 0.00 N ATOM 0 H LYS A 98 -6.940 14.613 -3.261 1.00 0.00 H new ATOM 0 HA LYS A 98 -9.026 16.626 -3.230 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -9.919 15.361 -1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -9.362 14.213 -2.615 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -8.638 13.214 -0.691 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.201 14.099 -1.163 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -7.524 14.354 1.219 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -7.777 15.906 0.445 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -9.990 14.046 1.395 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.391 15.432 2.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -11.113 16.434 1.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.080 16.584 -0.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -11.213 15.321 0.038 1.00 0.00 H new ATOM 1508 N PHE A 99 -6.379 17.001 -1.450 1.00 0.00 N ATOM 1509 CA PHE A 99 -5.709 17.894 -0.514 1.00 0.00 C ATOM 1510 C PHE A 99 -5.522 19.280 -1.092 1.00 0.00 C ATOM 1511 O PHE A 99 -5.535 20.270 -0.361 1.00 0.00 O ATOM 1512 CB PHE A 99 -4.362 17.339 -0.037 1.00 0.00 C ATOM 1513 CG PHE A 99 -4.455 16.118 0.834 1.00 0.00 C ATOM 1514 CD1 PHE A 99 -5.134 16.174 2.040 1.00 0.00 C ATOM 1515 CD2 PHE A 99 -3.840 14.928 0.470 1.00 0.00 C ATOM 1516 CE1 PHE A 99 -5.218 15.066 2.859 1.00 0.00 C ATOM 1517 CE2 PHE A 99 -3.915 13.817 1.295 1.00 0.00 C ATOM 1518 CZ PHE A 99 -4.613 13.898 2.488 1.00 0.00 C ATOM 0 H PHE A 99 -5.768 16.324 -1.907 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.367 17.966 0.352 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.754 17.100 -0.910 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -3.837 18.121 0.512 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.604 17.098 2.344 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -3.299 14.868 -0.463 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.761 15.122 3.791 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -3.432 12.894 1.009 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.680 13.032 3.130 1.00 0.00 H new ATOM 1528 N GLY A 100 -5.328 19.346 -2.380 1.00 0.00 N ATOM 1529 CA GLY A 100 -5.147 20.591 -3.021 1.00 0.00 C ATOM 1530 C GLY A 100 -3.714 20.808 -3.295 1.00 0.00 C ATOM 1531 O GLY A 100 -3.042 19.932 -3.821 1.00 0.00 O ATOM 0 H GLY A 100 -5.293 18.536 -3.000 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -5.713 20.617 -3.952 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.532 21.394 -2.392 1.00 0.00 H new ATOM 1535 N ALA A 101 -3.240 21.922 -2.895 1.00 0.00 N ATOM 1536 CA ALA A 101 -1.863 22.286 -3.057 1.00 0.00 C ATOM 1537 C ALA A 101 -1.018 21.525 -2.056 1.00 0.00 C ATOM 1538 O ALA A 101 -0.052 20.871 -2.419 1.00 0.00 O ATOM 1539 CB ALA A 101 -1.705 23.777 -2.857 1.00 0.00 C ATOM 0 H ALA A 101 -3.802 22.635 -2.431 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.531 22.031 -4.064 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.657 24.052 -2.981 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.309 24.309 -3.592 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -2.035 24.046 -1.854 1.00 0.00 H new ATOM 1545 N VAL A 102 -1.413 21.575 -0.803 1.00 0.00 N ATOM 1546 CA VAL A 102 -0.690 20.925 0.247 1.00 0.00 C ATOM 1547 C VAL A 102 -1.486 19.826 0.895 1.00 0.00 C ATOM 1548 O VAL A 102 -2.725 19.889 0.977 1.00 0.00 O ATOM 1549 CB VAL A 102 -0.197 21.885 1.325 1.00 0.00 C ATOM 1550 CG1 VAL A 102 1.153 22.450 0.984 1.00 0.00 C ATOM 1551 CG2 VAL A 102 -1.196 23.010 1.564 1.00 0.00 C ATOM 0 H VAL A 102 -2.248 22.071 -0.491 1.00 0.00 H new ATOM 0 HA VAL A 102 0.180 20.493 -0.247 1.00 0.00 H new ATOM 0 HB VAL A 102 -0.101 21.310 2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.473 23.130 1.774 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.874 21.638 0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 102 1.093 22.993 0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.815 23.677 2.338 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -1.340 23.571 0.641 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -2.149 22.589 1.885 1.00 0.00 H new ATOM 1561 N TYR A 103 -0.762 18.856 1.384 1.00 0.00 N ATOM 1562 CA TYR A 103 -1.288 17.712 2.042 1.00 0.00 C ATOM 1563 C TYR A 103 -1.705 18.082 3.449 1.00 0.00 C ATOM 1564 O TYR A 103 -0.877 18.410 4.306 1.00 0.00 O ATOM 1565 CB TYR A 103 -0.252 16.563 1.992 1.00 0.00 C ATOM 1566 CG TYR A 103 -0.429 15.455 3.009 1.00 0.00 C ATOM 1567 CD1 TYR A 103 -1.658 14.945 3.310 1.00 0.00 C ATOM 1568 CD2 TYR A 103 0.658 14.942 3.668 1.00 0.00 C ATOM 1569 CE1 TYR A 103 -1.820 13.967 4.252 1.00 0.00 C ATOM 1570 CE2 TYR A 103 0.517 13.949 4.605 1.00 0.00 C ATOM 1571 CZ TYR A 103 -0.721 13.470 4.901 1.00 0.00 C ATOM 1572 OH TYR A 103 -0.865 12.499 5.877 1.00 0.00 O ATOM 0 H TYR A 103 0.256 18.851 1.327 1.00 0.00 H new ATOM 0 HA TYR A 103 -2.182 17.352 1.534 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -0.279 16.121 0.996 1.00 0.00 H new ATOM 0 HB3 TYR A 103 0.741 16.992 2.123 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -2.526 15.324 2.791 1.00 0.00 H new ATOM 0 HD2 TYR A 103 1.643 15.326 3.446 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -2.806 13.590 4.482 1.00 0.00 H new ATOM 0 HE2 TYR A 103 1.386 13.549 5.106 1.00 0.00 H new ATOM 0 HH TYR A 103 0.016 12.260 6.233 1.00 0.00 H new ATOM 1582 N LYS A 104 -2.986 18.051 3.654 1.00 0.00 N ATOM 1583 CA LYS A 104 -3.582 18.371 4.905 1.00 0.00 C ATOM 1584 C LYS A 104 -4.455 17.204 5.422 1.00 0.00 C ATOM 1585 O LYS A 104 -5.644 17.114 5.129 1.00 0.00 O ATOM 1586 CB LYS A 104 -4.354 19.667 4.765 1.00 0.00 C ATOM 1587 CG LYS A 104 -5.332 19.707 3.602 1.00 0.00 C ATOM 1588 CD LYS A 104 -5.974 21.060 3.510 1.00 0.00 C ATOM 1589 CE LYS A 104 -4.988 22.116 3.036 1.00 0.00 C ATOM 1590 NZ LYS A 104 -4.635 21.930 1.628 1.00 0.00 N ATOM 0 H LYS A 104 -3.660 17.795 2.933 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.808 18.518 5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.903 19.847 5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -3.643 20.486 4.652 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.811 19.480 2.672 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -6.097 18.942 3.734 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -6.819 21.016 2.823 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -6.370 21.343 4.485 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.420 23.107 3.176 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.086 22.073 3.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.430 22.854 1.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -3.795 21.321 1.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.429 21.483 1.127 1.00 0.00 H new ATOM 1604 N PRO A 105 -3.838 16.270 6.159 1.00 0.00 N ATOM 1605 CA PRO A 105 -4.498 15.037 6.648 1.00 0.00 C ATOM 1606 C PRO A 105 -5.635 15.315 7.630 1.00 0.00 C ATOM 1607 O PRO A 105 -6.573 14.545 7.745 1.00 0.00 O ATOM 1608 CB PRO A 105 -3.377 14.276 7.334 1.00 0.00 C ATOM 1609 CG PRO A 105 -2.356 15.296 7.638 1.00 0.00 C ATOM 1610 CD PRO A 105 -2.444 16.342 6.584 1.00 0.00 C ATOM 0 HA PRO A 105 -4.968 14.489 5.831 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -3.730 13.787 8.242 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -2.976 13.496 6.687 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -2.528 15.729 8.624 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.361 14.850 7.654 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -2.192 17.328 6.973 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.761 16.141 5.759 1.00 0.00 H new