USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 785 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 92 LYS NZ :NH3+ -161:sc= 1.12 (180deg=0.643) USER MOD Set 1.2: A 96 ASN : amide:sc= 0.113 K(o=1.2,f=-1.8) USER MOD Set 2.1: A 38 LYS NZ :NH3+ -155:sc= 1.03 (180deg=0.544) USER MOD Set 2.2: A 101 GLN : amide:sc= 0 K(o=1,f=0.13) USER MOD Set 3.1: A 35 MET CE :methyl 168:sc= -0.192 (180deg=-0.495) USER MOD Set 3.2: A 98 LYS NZ :NH3+ -154:sc= 1.35 (180deg=0.565) USER MOD Set 3.3: A 102 TYR OH : rot -100:sc= 0.308 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -135:sc= 0.806 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -81:sc= 1.18 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 168:sc= 1.21 (180deg=1.14) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 70:sc= 0.0558 USER MOD Single : A 65 SER OG : rot 180:sc= 0.00433 USER MOD Single : A 70 SER OG : rot 180:sc= 0.241 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0123 USER MOD Single : A 79 ASN : amide:sc= 0.136 X(o=0.14,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -135:sc= 1.22 (180deg=0.0119) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= -0.42 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 105 N GLY A 19 -2.851 14.009 0.328 1.00 0.00 N ATOM 106 CA GLY A 19 -4.121 13.455 0.804 1.00 0.00 C ATOM 107 C GLY A 19 -3.953 12.084 1.466 1.00 0.00 C ATOM 108 O GLY A 19 -2.944 11.397 1.290 1.00 0.00 O ATOM 0 HA2 GLY A 19 -4.570 14.146 1.517 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.812 13.368 -0.034 1.00 0.00 H new ATOM 112 N ASP A 20 -4.973 11.652 2.202 1.00 0.00 N ATOM 113 CA ASP A 20 -4.977 10.392 2.952 1.00 0.00 C ATOM 114 C ASP A 20 -6.189 9.514 2.577 1.00 0.00 C ATOM 115 O ASP A 20 -7.215 10.016 2.110 1.00 0.00 O ATOM 116 CB ASP A 20 -5.055 10.681 4.468 1.00 0.00 C ATOM 117 CG ASP A 20 -3.917 11.542 5.047 1.00 0.00 C ATOM 118 OD1 ASP A 20 -3.916 12.781 4.849 1.00 0.00 O ATOM 119 OD2 ASP A 20 -3.064 10.979 5.775 1.00 0.00 O ATOM 0 H ASP A 20 -5.842 12.178 2.298 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.056 9.865 2.702 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.003 11.178 4.675 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.071 9.729 4.999 1.00 0.00 H new ATOM 124 N ALA A 21 -6.087 8.206 2.840 1.00 0.00 N ATOM 125 CA ALA A 21 -7.123 7.207 2.571 1.00 0.00 C ATOM 126 C ALA A 21 -6.951 5.964 3.473 1.00 0.00 C ATOM 127 O ALA A 21 -6.556 4.884 3.034 1.00 0.00 O ATOM 128 CB ALA A 21 -7.115 6.893 1.068 1.00 0.00 C ATOM 0 H ALA A 21 -5.250 7.802 3.261 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.109 7.598 2.824 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.881 6.150 0.848 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.320 7.804 0.505 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.138 6.503 0.783 1.00 0.00 H new ATOM 134 N ASN A 22 -7.248 6.135 4.767 1.00 0.00 N ATOM 135 CA ASN A 22 -7.340 5.074 5.783 1.00 0.00 C ATOM 136 C ASN A 22 -6.024 4.278 5.960 1.00 0.00 C ATOM 137 O ASN A 22 -5.160 4.678 6.741 1.00 0.00 O ATOM 138 CB ASN A 22 -8.573 4.181 5.518 1.00 0.00 C ATOM 139 CG ASN A 22 -9.879 4.970 5.577 1.00 0.00 C ATOM 140 OD1 ASN A 22 -10.329 5.383 6.639 1.00 0.00 O ATOM 141 ND2 ASN A 22 -10.519 5.213 4.444 1.00 0.00 N ATOM 0 H ASN A 22 -7.440 7.059 5.154 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.488 5.554 6.750 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.477 3.713 4.538 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.602 3.377 6.254 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.389 5.745 4.454 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.142 4.868 3.561 1.00 0.00 H new ATOM 148 N ILE A 23 -5.870 3.143 5.259 1.00 0.00 N ATOM 149 CA ILE A 23 -4.692 2.249 5.338 1.00 0.00 C ATOM 150 C ILE A 23 -3.524 2.777 4.472 1.00 0.00 C ATOM 151 O ILE A 23 -2.383 2.345 4.635 1.00 0.00 O ATOM 152 CB ILE A 23 -5.135 0.804 4.968 1.00 0.00 C ATOM 153 CG1 ILE A 23 -6.262 0.283 5.900 1.00 0.00 C ATOM 154 CG2 ILE A 23 -3.966 -0.203 4.998 1.00 0.00 C ATOM 155 CD1 ILE A 23 -7.092 -0.840 5.262 1.00 0.00 C ATOM 0 H ILE A 23 -6.576 2.809 4.604 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.303 2.229 6.356 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.511 0.875 3.947 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.820 -0.080 6.828 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.921 1.111 6.163 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.333 -1.194 4.732 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.202 0.105 4.284 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.536 -0.232 5.999 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.864 -1.164 5.960 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.560 -0.473 4.349 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.442 -1.682 5.024 1.00 0.00 H new ATOM 167 N PHE A 24 -3.781 3.726 3.565 1.00 0.00 N ATOM 168 CA PHE A 24 -2.819 4.260 2.606 1.00 0.00 C ATOM 169 C PHE A 24 -2.923 5.794 2.486 1.00 0.00 C ATOM 170 O PHE A 24 -3.856 6.420 2.990 1.00 0.00 O ATOM 171 CB PHE A 24 -2.992 3.497 1.274 1.00 0.00 C ATOM 172 CG PHE A 24 -4.419 3.363 0.768 1.00 0.00 C ATOM 173 CD1 PHE A 24 -5.272 2.385 1.310 1.00 0.00 C ATOM 174 CD2 PHE A 24 -4.908 4.231 -0.219 1.00 0.00 C ATOM 175 CE1 PHE A 24 -6.622 2.314 0.924 1.00 0.00 C ATOM 176 CE2 PHE A 24 -6.266 4.185 -0.583 1.00 0.00 C ATOM 177 CZ PHE A 24 -7.124 3.234 -0.009 1.00 0.00 C ATOM 0 H PHE A 24 -4.701 4.157 3.479 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.798 4.096 2.951 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.401 4.001 0.509 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -2.573 2.498 1.393 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.885 1.680 2.031 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.243 4.934 -0.699 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.268 1.557 1.343 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -6.651 4.886 -1.309 1.00 0.00 H new ATOM 0 HZ PHE A 24 -8.168 3.210 -0.285 1.00 0.00 H new ATOM 187 N ARG A 25 -1.918 6.411 1.861 1.00 0.00 N ATOM 188 CA ARG A 25 -1.757 7.863 1.687 1.00 0.00 C ATOM 189 C ARG A 25 -1.430 8.154 0.226 1.00 0.00 C ATOM 190 O ARG A 25 -0.795 7.320 -0.413 1.00 0.00 O ATOM 191 CB ARG A 25 -0.593 8.390 2.556 1.00 0.00 C ATOM 192 CG ARG A 25 -1.018 8.959 3.913 1.00 0.00 C ATOM 193 CD ARG A 25 -1.322 7.907 4.982 1.00 0.00 C ATOM 194 NE ARG A 25 -1.659 8.585 6.243 1.00 0.00 N ATOM 195 CZ ARG A 25 -1.324 8.245 7.482 1.00 0.00 C ATOM 196 NH1 ARG A 25 -0.647 7.149 7.764 1.00 0.00 N ATOM 197 NH2 ARG A 25 -1.676 9.037 8.470 1.00 0.00 N ATOM 0 H ARG A 25 -1.152 5.887 1.439 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.683 8.354 1.986 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.115 7.578 2.723 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.065 9.165 2.001 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.227 9.613 4.281 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.903 9.579 3.770 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.150 7.275 4.662 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.460 7.255 5.124 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.225 9.429 6.154 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.358 6.521 7.014 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.412 6.929 8.732 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.196 9.893 8.277 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.429 8.796 9.430 1.00 0.00 H new ATOM 211 N VAL A 26 -1.798 9.335 -0.269 1.00 0.00 N ATOM 212 CA VAL A 26 -1.403 9.810 -1.612 1.00 0.00 C ATOM 213 C VAL A 26 -0.647 11.142 -1.555 1.00 0.00 C ATOM 214 O VAL A 26 -1.113 12.092 -0.936 1.00 0.00 O ATOM 215 CB VAL A 26 -2.621 9.886 -2.564 1.00 0.00 C ATOM 216 CG1 VAL A 26 -3.732 10.856 -2.121 1.00 0.00 C ATOM 217 CG2 VAL A 26 -2.188 10.229 -4.002 1.00 0.00 C ATOM 0 H VAL A 26 -2.380 9.997 0.244 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.711 9.073 -2.020 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.052 8.886 -2.526 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.541 10.840 -2.851 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.115 10.550 -1.147 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.327 11.866 -2.051 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.067 10.275 -4.645 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.682 11.195 -4.009 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.508 9.461 -4.370 1.00 0.00 H new ATOM 227 N ASP A 27 0.493 11.237 -2.241 1.00 0.00 N ATOM 228 CA ASP A 27 1.111 12.524 -2.585 1.00 0.00 C ATOM 229 C ASP A 27 0.854 12.847 -4.063 1.00 0.00 C ATOM 230 O ASP A 27 1.201 12.075 -4.961 1.00 0.00 O ATOM 231 CB ASP A 27 2.606 12.542 -2.250 1.00 0.00 C ATOM 232 CG ASP A 27 3.217 13.938 -2.472 1.00 0.00 C ATOM 233 OD1 ASP A 27 3.369 14.350 -3.649 1.00 0.00 O ATOM 234 OD2 ASP A 27 3.523 14.623 -1.468 1.00 0.00 O ATOM 0 H ASP A 27 1.015 10.427 -2.575 1.00 0.00 H new ATOM 0 HA ASP A 27 0.650 13.303 -1.978 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.751 12.241 -1.213 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.128 11.813 -2.870 1.00 0.00 H new ATOM 239 N LYS A 28 0.220 14.003 -4.289 1.00 0.00 N ATOM 240 CA LYS A 28 -0.288 14.448 -5.592 1.00 0.00 C ATOM 241 C LYS A 28 0.755 15.136 -6.498 1.00 0.00 C ATOM 242 O LYS A 28 0.518 15.265 -7.702 1.00 0.00 O ATOM 243 CB LYS A 28 -1.505 15.365 -5.338 1.00 0.00 C ATOM 244 CG LYS A 28 -1.162 16.652 -4.557 1.00 0.00 C ATOM 245 CD LYS A 28 -2.322 17.653 -4.429 1.00 0.00 C ATOM 246 CE LYS A 28 -3.522 17.138 -3.611 1.00 0.00 C ATOM 247 NZ LYS A 28 -4.607 16.566 -4.459 1.00 0.00 N ATOM 0 H LYS A 28 0.040 14.677 -3.545 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.571 13.558 -6.154 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.948 15.639 -6.295 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.260 14.806 -4.786 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.826 16.376 -3.557 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.325 17.147 -5.049 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.948 18.566 -3.966 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.667 17.920 -5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.177 16.377 -2.911 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.927 17.957 -3.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.385 16.237 -3.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.960 17.296 -5.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.233 15.765 -5.007 1.00 0.00 H new ATOM 261 N ASP A 29 1.886 15.580 -5.944 1.00 0.00 N ATOM 262 CA ASP A 29 2.936 16.325 -6.655 1.00 0.00 C ATOM 263 C ASP A 29 4.037 15.382 -7.159 1.00 0.00 C ATOM 264 O ASP A 29 4.429 15.432 -8.324 1.00 0.00 O ATOM 265 CB ASP A 29 3.530 17.376 -5.707 1.00 0.00 C ATOM 266 CG ASP A 29 4.553 18.274 -6.422 1.00 0.00 C ATOM 267 OD1 ASP A 29 4.155 19.032 -7.341 1.00 0.00 O ATOM 268 OD2 ASP A 29 5.754 18.234 -6.059 1.00 0.00 O ATOM 0 H ASP A 29 2.106 15.428 -4.960 1.00 0.00 H new ATOM 0 HA ASP A 29 2.497 16.816 -7.524 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.729 17.991 -5.298 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.010 16.877 -4.865 1.00 0.00 H new ATOM 273 N SER A 30 4.478 14.474 -6.291 1.00 0.00 N ATOM 274 CA SER A 30 5.365 13.353 -6.634 1.00 0.00 C ATOM 275 C SER A 30 4.605 12.157 -7.247 1.00 0.00 C ATOM 276 O SER A 30 5.238 11.234 -7.764 1.00 0.00 O ATOM 277 CB SER A 30 6.135 12.902 -5.383 1.00 0.00 C ATOM 278 OG SER A 30 7.058 13.900 -4.953 1.00 0.00 O ATOM 0 H SER A 30 4.225 14.494 -5.303 1.00 0.00 H new ATOM 0 HA SER A 30 6.060 13.710 -7.394 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.431 12.684 -4.579 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.670 11.977 -5.597 1.00 0.00 H new ATOM 0 HG SER A 30 7.532 13.585 -4.155 1.00 0.00 H new ATOM 284 N ARG A 31 3.259 12.170 -7.211 1.00 0.00 N ATOM 285 CA ARG A 31 2.353 11.194 -7.831 1.00 0.00 C ATOM 286 C ARG A 31 2.617 9.764 -7.316 1.00 0.00 C ATOM 287 O ARG A 31 2.838 8.831 -8.093 1.00 0.00 O ATOM 288 CB ARG A 31 2.396 11.326 -9.363 1.00 0.00 C ATOM 289 CG ARG A 31 2.010 12.736 -9.846 1.00 0.00 C ATOM 290 CD ARG A 31 2.006 12.860 -11.376 1.00 0.00 C ATOM 291 NE ARG A 31 3.345 12.654 -11.964 1.00 0.00 N ATOM 292 CZ ARG A 31 4.347 13.528 -12.015 1.00 0.00 C ATOM 293 NH1 ARG A 31 4.269 14.724 -11.470 1.00 0.00 N ATOM 294 NH2 ARG A 31 5.464 13.200 -12.629 1.00 0.00 N ATOM 0 H ARG A 31 2.750 12.905 -6.720 1.00 0.00 H new ATOM 0 HA ARG A 31 1.329 11.416 -7.530 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.399 11.086 -9.717 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.719 10.596 -9.806 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.021 12.988 -9.463 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.708 13.462 -9.429 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.313 12.130 -11.795 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.638 13.847 -11.656 1.00 0.00 H new ATOM 0 HE ARG A 31 3.522 11.739 -12.378 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.417 15.010 -10.986 1.00 0.00 H new ATOM 0 HH12 ARG A 31 5.060 15.365 -11.531 1.00 0.00 H new ATOM 0 HH21 ARG A 31 5.557 12.281 -13.062 1.00 0.00 H new ATOM 0 HH22 ARG A 31 6.236 13.865 -12.672 1.00 0.00 H new ATOM 308 N GLU A 32 2.615 9.606 -5.991 1.00 0.00 N ATOM 309 CA GLU A 32 3.059 8.394 -5.279 1.00 0.00 C ATOM 310 C GLU A 32 2.055 7.966 -4.193 1.00 0.00 C ATOM 311 O GLU A 32 1.239 8.782 -3.757 1.00 0.00 O ATOM 312 CB GLU A 32 4.486 8.598 -4.726 1.00 0.00 C ATOM 313 CG GLU A 32 4.640 9.770 -3.751 1.00 0.00 C ATOM 314 CD GLU A 32 6.081 9.989 -3.244 1.00 0.00 C ATOM 315 OE1 GLU A 32 7.006 9.200 -3.556 1.00 0.00 O ATOM 316 OE2 GLU A 32 6.302 10.984 -2.514 1.00 0.00 O ATOM 0 H GLU A 32 2.295 10.339 -5.358 1.00 0.00 H new ATOM 0 HA GLU A 32 3.094 7.567 -5.989 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.799 7.683 -4.223 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.166 8.750 -5.564 1.00 0.00 H new ATOM 0 HG2 GLU A 32 4.297 10.682 -4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.987 9.603 -2.894 1.00 0.00 H new ATOM 323 N VAL A 33 2.097 6.691 -3.773 1.00 0.00 N ATOM 324 CA VAL A 33 1.100 6.076 -2.860 1.00 0.00 C ATOM 325 C VAL A 33 1.784 5.220 -1.794 1.00 0.00 C ATOM 326 O VAL A 33 2.561 4.320 -2.097 1.00 0.00 O ATOM 327 CB VAL A 33 -0.010 5.293 -3.616 1.00 0.00 C ATOM 328 CG1 VAL A 33 0.518 4.125 -4.471 1.00 0.00 C ATOM 329 CG2 VAL A 33 -1.117 4.769 -2.681 1.00 0.00 C ATOM 0 H VAL A 33 2.832 6.043 -4.058 1.00 0.00 H new ATOM 0 HA VAL A 33 0.590 6.894 -2.351 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.434 6.037 -4.290 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.317 3.630 -4.966 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.210 4.507 -5.222 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.036 3.411 -3.831 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.863 4.231 -3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.681 4.096 -1.942 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.591 5.608 -2.172 1.00 0.00 H new ATOM 339 N TYR A 34 1.535 5.528 -0.521 1.00 0.00 N ATOM 340 CA TYR A 34 2.234 4.937 0.625 1.00 0.00 C ATOM 341 C TYR A 34 1.252 4.090 1.442 1.00 0.00 C ATOM 342 O TYR A 34 0.304 4.634 2.005 1.00 0.00 O ATOM 343 CB TYR A 34 2.826 6.059 1.503 1.00 0.00 C ATOM 344 CG TYR A 34 4.068 6.813 1.036 1.00 0.00 C ATOM 345 CD1 TYR A 34 4.536 6.783 -0.297 1.00 0.00 C ATOM 346 CD2 TYR A 34 4.770 7.580 1.988 1.00 0.00 C ATOM 347 CE1 TYR A 34 5.690 7.496 -0.668 1.00 0.00 C ATOM 348 CE2 TYR A 34 5.923 8.301 1.624 1.00 0.00 C ATOM 349 CZ TYR A 34 6.388 8.262 0.292 1.00 0.00 C ATOM 350 OH TYR A 34 7.509 8.955 -0.055 1.00 0.00 O ATOM 0 H TYR A 34 0.827 6.210 -0.250 1.00 0.00 H new ATOM 0 HA TYR A 34 3.044 4.299 0.271 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.039 6.796 1.663 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.057 5.623 2.475 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.002 6.207 -1.038 1.00 0.00 H new ATOM 0 HD2 TYR A 34 4.419 7.615 3.009 1.00 0.00 H new ATOM 0 HE1 TYR A 34 6.043 7.458 -1.688 1.00 0.00 H new ATOM 0 HE2 TYR A 34 6.452 8.884 2.364 1.00 0.00 H new ATOM 0 HH TYR A 34 7.858 9.426 0.730 1.00 0.00 H new ATOM 360 N MET A 35 1.462 2.773 1.528 1.00 0.00 N ATOM 361 CA MET A 35 0.707 1.902 2.437 1.00 0.00 C ATOM 362 C MET A 35 1.257 1.980 3.865 1.00 0.00 C ATOM 363 O MET A 35 2.449 2.205 4.064 1.00 0.00 O ATOM 364 CB MET A 35 0.772 0.459 1.914 1.00 0.00 C ATOM 365 CG MET A 35 -0.101 0.314 0.665 1.00 0.00 C ATOM 366 SD MET A 35 0.370 -1.066 -0.395 1.00 0.00 S ATOM 367 CE MET A 35 1.711 -0.250 -1.291 1.00 0.00 C ATOM 0 H MET A 35 2.159 2.280 0.970 1.00 0.00 H new ATOM 0 HA MET A 35 -0.330 2.236 2.468 1.00 0.00 H new ATOM 0 HB2 MET A 35 1.803 0.195 1.679 1.00 0.00 H new ATOM 0 HB3 MET A 35 0.434 -0.232 2.686 1.00 0.00 H new ATOM 0 HG2 MET A 35 -1.139 0.187 0.971 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.050 1.237 0.088 1.00 0.00 H new ATOM 0 HE1 MET A 35 2.280 -0.993 -1.850 1.00 0.00 H new ATOM 0 HE2 MET A 35 1.294 0.483 -1.982 1.00 0.00 H new ATOM 0 HE3 MET A 35 2.369 0.253 -0.582 1.00 0.00 H new ATOM 377 N HIS A 36 0.420 1.665 4.856 1.00 0.00 N ATOM 378 CA HIS A 36 0.832 1.475 6.257 1.00 0.00 C ATOM 379 C HIS A 36 1.992 0.460 6.427 1.00 0.00 C ATOM 380 O HIS A 36 2.770 0.555 7.381 1.00 0.00 O ATOM 381 CB HIS A 36 -0.413 1.040 7.045 1.00 0.00 C ATOM 382 CG HIS A 36 -0.163 0.834 8.515 1.00 0.00 C ATOM 383 ND1 HIS A 36 0.044 1.850 9.452 1.00 0.00 N ATOM 384 CD2 HIS A 36 -0.087 -0.373 9.145 1.00 0.00 C ATOM 385 CE1 HIS A 36 0.237 1.225 10.626 1.00 0.00 C ATOM 386 NE2 HIS A 36 0.162 -0.110 10.474 1.00 0.00 N ATOM 0 H HIS A 36 -0.581 1.532 4.710 1.00 0.00 H new ATOM 0 HA HIS A 36 1.230 2.415 6.639 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -1.191 1.793 6.921 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.796 0.113 6.618 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -0.200 -1.346 8.690 1.00 0.00 H new ATOM 0 HE1 HIS A 36 0.427 1.726 11.564 1.00 0.00 H new ATOM 0 HE2 HIS A 36 0.270 -0.805 11.213 1.00 0.00 H new ATOM 394 N GLU A 37 2.138 -0.477 5.478 1.00 0.00 N ATOM 395 CA GLU A 37 3.275 -1.398 5.411 1.00 0.00 C ATOM 396 C GLU A 37 4.549 -0.717 4.881 1.00 0.00 C ATOM 397 O GLU A 37 5.623 -0.992 5.411 1.00 0.00 O ATOM 398 CB GLU A 37 2.940 -2.619 4.525 1.00 0.00 C ATOM 399 CG GLU A 37 1.798 -3.484 5.075 1.00 0.00 C ATOM 400 CD GLU A 37 2.112 -4.032 6.478 1.00 0.00 C ATOM 401 OE1 GLU A 37 3.070 -4.828 6.626 1.00 0.00 O ATOM 402 OE2 GLU A 37 1.400 -3.671 7.445 1.00 0.00 O ATOM 0 H GLU A 37 1.460 -0.615 4.728 1.00 0.00 H new ATOM 0 HA GLU A 37 3.468 -1.727 6.432 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.672 -2.271 3.527 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.832 -3.236 4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.883 -2.894 5.113 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.613 -4.315 4.395 1.00 0.00 H new ATOM 409 N LYS A 38 4.459 0.125 3.835 1.00 0.00 N ATOM 410 CA LYS A 38 5.587 0.506 2.952 1.00 0.00 C ATOM 411 C LYS A 38 5.201 1.436 1.775 1.00 0.00 C ATOM 412 O LYS A 38 4.044 1.525 1.368 1.00 0.00 O ATOM 413 CB LYS A 38 6.281 -0.786 2.441 1.00 0.00 C ATOM 414 CG LYS A 38 7.686 -1.009 3.038 1.00 0.00 C ATOM 415 CD LYS A 38 8.107 -2.487 3.102 1.00 0.00 C ATOM 416 CE LYS A 38 7.311 -3.365 4.086 1.00 0.00 C ATOM 417 NZ LYS A 38 7.563 -3.006 5.511 1.00 0.00 N ATOM 0 H LYS A 38 3.581 0.572 3.571 1.00 0.00 H new ATOM 0 HA LYS A 38 6.274 1.102 3.553 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.653 -1.645 2.680 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.360 -0.741 1.355 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.415 -0.459 2.443 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.714 -0.589 4.044 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.015 -2.916 2.104 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.162 -2.534 3.373 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.246 -3.268 3.874 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.573 -4.411 3.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.375 -3.831 6.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.554 -2.712 5.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.936 -2.224 5.788 1.00 0.00 H new ATOM 431 N LYS A 39 6.196 2.097 1.166 1.00 0.00 N ATOM 432 CA LYS A 39 6.044 3.078 0.079 1.00 0.00 C ATOM 433 C LYS A 39 5.847 2.445 -1.321 1.00 0.00 C ATOM 434 O LYS A 39 6.382 1.363 -1.573 1.00 0.00 O ATOM 435 CB LYS A 39 7.317 3.947 0.106 1.00 0.00 C ATOM 436 CG LYS A 39 7.458 4.790 1.389 1.00 0.00 C ATOM 437 CD LYS A 39 8.639 5.774 1.319 1.00 0.00 C ATOM 438 CE LYS A 39 10.030 5.120 1.402 1.00 0.00 C ATOM 439 NZ LYS A 39 10.382 4.691 2.786 1.00 0.00 N ATOM 0 H LYS A 39 7.172 1.957 1.428 1.00 0.00 H new ATOM 0 HA LYS A 39 5.136 3.657 0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.190 3.302 0.007 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.312 4.612 -0.758 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.536 5.346 1.558 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.592 4.126 2.243 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.572 6.335 0.387 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.542 6.494 2.132 1.00 0.00 H new ATOM 0 HE2 LYS A 39 10.061 4.255 0.739 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.780 5.824 1.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.327 4.258 2.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.381 5.518 3.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.684 3.998 3.123 1.00 0.00 H new ATOM 453 N LEU A 40 5.152 3.134 -2.243 1.00 0.00 N ATOM 454 CA LEU A 40 5.188 2.931 -3.708 1.00 0.00 C ATOM 455 C LEU A 40 5.050 4.254 -4.474 1.00 0.00 C ATOM 456 O LEU A 40 4.541 5.248 -3.963 1.00 0.00 O ATOM 457 CB LEU A 40 4.074 1.967 -4.177 1.00 0.00 C ATOM 458 CG LEU A 40 4.331 0.484 -3.890 1.00 0.00 C ATOM 459 CD1 LEU A 40 3.174 -0.343 -4.453 1.00 0.00 C ATOM 460 CD2 LEU A 40 5.629 -0.032 -4.538 1.00 0.00 C ATOM 0 H LEU A 40 4.517 3.886 -1.976 1.00 0.00 H new ATOM 0 HA LEU A 40 6.162 2.493 -3.927 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.139 2.257 -3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.934 2.094 -5.250 1.00 0.00 H new ATOM 0 HG LEU A 40 4.421 0.382 -2.809 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.351 -1.400 -4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.242 -0.034 -3.979 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.104 -0.185 -5.529 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.759 -1.088 -4.301 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.570 0.093 -5.619 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.478 0.534 -4.153 1.00 0.00 H new ATOM 472 N ASP A 41 5.472 4.238 -5.738 1.00 0.00 N ATOM 473 CA ASP A 41 5.749 5.440 -6.545 1.00 0.00 C ATOM 474 C ASP A 41 5.655 5.127 -8.062 1.00 0.00 C ATOM 475 O ASP A 41 6.575 5.377 -8.841 1.00 0.00 O ATOM 476 CB ASP A 41 7.110 6.007 -6.074 1.00 0.00 C ATOM 477 CG ASP A 41 7.708 7.150 -6.925 1.00 0.00 C ATOM 478 OD1 ASP A 41 6.967 8.076 -7.330 1.00 0.00 O ATOM 479 OD2 ASP A 41 8.944 7.124 -7.165 1.00 0.00 O ATOM 0 H ASP A 41 5.637 3.370 -6.248 1.00 0.00 H new ATOM 0 HA ASP A 41 4.998 6.215 -6.395 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.995 6.366 -5.051 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.830 5.189 -6.046 1.00 0.00 H new ATOM 484 N LEU A 42 4.545 4.498 -8.476 1.00 0.00 N ATOM 485 CA LEU A 42 4.286 4.109 -9.877 1.00 0.00 C ATOM 486 C LEU A 42 3.590 5.264 -10.643 1.00 0.00 C ATOM 487 O LEU A 42 3.965 6.425 -10.456 1.00 0.00 O ATOM 488 CB LEU A 42 3.581 2.724 -9.861 1.00 0.00 C ATOM 489 CG LEU A 42 3.863 1.732 -11.026 1.00 0.00 C ATOM 490 CD1 LEU A 42 5.346 1.650 -11.392 1.00 0.00 C ATOM 491 CD2 LEU A 42 3.454 0.324 -10.554 1.00 0.00 C ATOM 0 H LEU A 42 3.790 4.240 -7.841 1.00 0.00 H new ATOM 0 HA LEU A 42 5.196 3.963 -10.459 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.850 2.226 -8.930 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.506 2.900 -9.829 1.00 0.00 H new ATOM 0 HG LEU A 42 3.306 2.084 -11.895 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.480 0.943 -12.210 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.699 2.634 -11.701 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.917 1.315 -10.526 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.640 -0.395 -11.351 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.038 0.051 -9.675 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.394 0.319 -10.301 1.00 0.00 H new ATOM 503 N THR A 43 2.612 4.987 -11.520 1.00 0.00 N ATOM 504 CA THR A 43 1.857 6.018 -12.274 1.00 0.00 C ATOM 505 C THR A 43 0.564 6.395 -11.560 1.00 0.00 C ATOM 506 O THR A 43 0.140 5.698 -10.644 1.00 0.00 O ATOM 507 CB THR A 43 1.547 5.575 -13.712 1.00 0.00 C ATOM 508 OG1 THR A 43 0.533 4.606 -13.662 1.00 0.00 O ATOM 509 CG2 THR A 43 2.767 5.040 -14.462 1.00 0.00 C ATOM 0 H THR A 43 2.315 4.034 -11.732 1.00 0.00 H new ATOM 0 HA THR A 43 2.502 6.895 -12.322 1.00 0.00 H new ATOM 0 HB THR A 43 1.224 6.452 -14.273 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.762 3.862 -14.257 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.474 4.746 -15.470 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.529 5.817 -14.518 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.168 4.175 -13.934 1.00 0.00 H new ATOM 517 N ARG A 44 -0.119 7.439 -12.047 1.00 0.00 N ATOM 518 CA ARG A 44 -1.470 7.823 -11.604 1.00 0.00 C ATOM 519 C ARG A 44 -2.480 6.665 -11.744 1.00 0.00 C ATOM 520 O ARG A 44 -3.298 6.442 -10.850 1.00 0.00 O ATOM 521 CB ARG A 44 -1.926 9.037 -12.437 1.00 0.00 C ATOM 522 CG ARG A 44 -3.173 9.751 -11.880 1.00 0.00 C ATOM 523 CD ARG A 44 -2.868 10.710 -10.720 1.00 0.00 C ATOM 524 NE ARG A 44 -2.220 11.948 -11.201 1.00 0.00 N ATOM 525 CZ ARG A 44 -1.868 12.998 -10.468 1.00 0.00 C ATOM 526 NH1 ARG A 44 -1.997 13.018 -9.159 1.00 0.00 N ATOM 527 NH2 ARG A 44 -1.369 14.065 -11.056 1.00 0.00 N ATOM 0 H ARG A 44 0.256 8.052 -12.771 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.432 8.077 -10.545 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.106 9.753 -12.494 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.134 8.708 -13.455 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.651 10.309 -12.685 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.889 9.002 -11.542 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.793 10.960 -10.200 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.219 10.215 -9.997 1.00 0.00 H new ATOM 0 HE ARG A 44 -2.022 12.002 -12.200 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.379 12.207 -8.672 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -1.715 13.844 -8.631 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.255 14.082 -12.069 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.097 14.874 -10.498 1.00 0.00 H new ATOM 541 N ALA A 45 -2.415 5.903 -12.843 1.00 0.00 N ATOM 542 CA ALA A 45 -3.335 4.797 -13.102 1.00 0.00 C ATOM 543 C ALA A 45 -3.023 3.612 -12.179 1.00 0.00 C ATOM 544 O ALA A 45 -3.938 3.073 -11.553 1.00 0.00 O ATOM 545 CB ALA A 45 -3.244 4.435 -14.589 1.00 0.00 C ATOM 0 H ALA A 45 -1.720 6.039 -13.577 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.362 5.087 -12.882 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.923 3.610 -14.805 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.520 5.300 -15.192 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.223 4.137 -14.829 1.00 0.00 H new ATOM 551 N GLU A 46 -1.739 3.277 -12.013 1.00 0.00 N ATOM 552 CA GLU A 46 -1.303 2.213 -11.109 1.00 0.00 C ATOM 553 C GLU A 46 -1.643 2.533 -9.652 1.00 0.00 C ATOM 554 O GLU A 46 -2.117 1.677 -8.906 1.00 0.00 O ATOM 555 CB GLU A 46 0.192 1.973 -11.271 1.00 0.00 C ATOM 556 CG GLU A 46 0.451 1.013 -12.427 1.00 0.00 C ATOM 557 CD GLU A 46 0.223 1.623 -13.821 1.00 0.00 C ATOM 558 OE1 GLU A 46 1.196 2.180 -14.382 1.00 0.00 O ATOM 559 OE2 GLU A 46 -0.904 1.546 -14.362 1.00 0.00 O ATOM 0 H GLU A 46 -0.973 3.738 -12.504 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.842 1.304 -11.375 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.702 2.919 -11.454 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.603 1.562 -10.349 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.479 0.656 -12.364 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.196 0.143 -12.314 1.00 0.00 H new ATOM 566 N TYR A 47 -1.481 3.797 -9.280 1.00 0.00 N ATOM 567 CA TYR A 47 -2.002 4.341 -8.019 1.00 0.00 C ATOM 568 C TYR A 47 -3.513 4.113 -7.870 1.00 0.00 C ATOM 569 O TYR A 47 -3.928 3.605 -6.826 1.00 0.00 O ATOM 570 CB TYR A 47 -1.624 5.829 -7.865 1.00 0.00 C ATOM 571 CG TYR A 47 -2.589 6.661 -7.025 1.00 0.00 C ATOM 572 CD1 TYR A 47 -2.897 6.286 -5.703 1.00 0.00 C ATOM 573 CD2 TYR A 47 -3.247 7.766 -7.600 1.00 0.00 C ATOM 574 CE1 TYR A 47 -3.854 7.002 -4.959 1.00 0.00 C ATOM 575 CE2 TYR A 47 -4.216 8.481 -6.870 1.00 0.00 C ATOM 576 CZ TYR A 47 -4.529 8.095 -5.546 1.00 0.00 C ATOM 577 OH TYR A 47 -5.478 8.767 -4.834 1.00 0.00 O ATOM 0 H TYR A 47 -0.981 4.484 -9.845 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.529 3.793 -7.205 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.632 5.891 -7.418 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.555 6.274 -8.857 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.394 5.441 -5.256 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.006 8.067 -8.609 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.072 6.716 -3.941 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.720 9.323 -7.321 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.845 9.492 -5.382 1.00 0.00 H new ATOM 587 N GLU A 48 -4.328 4.443 -8.879 1.00 0.00 N ATOM 588 CA GLU A 48 -5.779 4.210 -8.838 1.00 0.00 C ATOM 589 C GLU A 48 -6.098 2.745 -8.505 1.00 0.00 C ATOM 590 O GLU A 48 -6.860 2.468 -7.574 1.00 0.00 O ATOM 591 CB GLU A 48 -6.442 4.609 -10.171 1.00 0.00 C ATOM 592 CG GLU A 48 -7.956 4.782 -9.996 1.00 0.00 C ATOM 593 CD GLU A 48 -8.670 5.337 -11.245 1.00 0.00 C ATOM 594 OE1 GLU A 48 -8.016 5.735 -12.240 1.00 0.00 O ATOM 595 OE2 GLU A 48 -9.921 5.420 -11.218 1.00 0.00 O ATOM 0 H GLU A 48 -4.004 4.877 -9.743 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.188 4.838 -8.047 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.005 5.539 -10.536 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.243 3.846 -10.924 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.394 3.818 -9.737 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.141 5.452 -9.156 1.00 0.00 H new ATOM 602 N ILE A 49 -5.454 1.803 -9.205 1.00 0.00 N ATOM 603 CA ILE A 49 -5.685 0.365 -8.955 1.00 0.00 C ATOM 604 C ILE A 49 -5.267 -0.030 -7.547 1.00 0.00 C ATOM 605 O ILE A 49 -6.039 -0.692 -6.868 1.00 0.00 O ATOM 606 CB ILE A 49 -4.986 -0.605 -9.945 1.00 0.00 C ATOM 607 CG1 ILE A 49 -4.314 0.097 -11.116 1.00 0.00 C ATOM 608 CG2 ILE A 49 -5.962 -1.679 -10.441 1.00 0.00 C ATOM 609 CD1 ILE A 49 -3.463 -0.802 -12.008 1.00 0.00 C ATOM 0 H ILE A 49 -4.776 2.001 -9.941 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.760 0.257 -9.100 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.186 -1.084 -9.380 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.084 0.566 -11.729 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.684 0.897 -10.727 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.448 -2.346 -11.133 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.333 -2.253 -9.592 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.799 -1.202 -10.951 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.028 -0.209 -12.812 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.666 -1.252 -11.416 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.087 -1.588 -12.433 1.00 0.00 H new ATOM 621 N LEU A 50 -4.050 0.327 -7.125 1.00 0.00 N ATOM 622 CA LEU A 50 -3.448 -0.185 -5.893 1.00 0.00 C ATOM 623 C LEU A 50 -4.100 0.452 -4.653 1.00 0.00 C ATOM 624 O LEU A 50 -4.407 -0.244 -3.691 1.00 0.00 O ATOM 625 CB LEU A 50 -1.923 0.010 -5.998 1.00 0.00 C ATOM 626 CG LEU A 50 -1.092 -1.088 -5.308 1.00 0.00 C ATOM 627 CD1 LEU A 50 0.307 -1.096 -5.935 1.00 0.00 C ATOM 628 CD2 LEU A 50 -0.985 -0.886 -3.791 1.00 0.00 C ATOM 0 H LEU A 50 -3.454 0.982 -7.631 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.633 -1.252 -5.768 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.646 0.050 -7.051 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.661 0.974 -5.562 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.596 -2.043 -5.458 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.914 -1.867 -5.461 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.226 -1.303 -7.002 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.777 -0.123 -5.789 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.389 -1.689 -3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.508 0.072 -3.584 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.982 -0.897 -3.351 1.00 0.00 H new ATOM 640 N SER A 51 -4.426 1.742 -4.692 1.00 0.00 N ATOM 641 CA SER A 51 -5.318 2.349 -3.690 1.00 0.00 C ATOM 642 C SER A 51 -6.683 1.636 -3.600 1.00 0.00 C ATOM 643 O SER A 51 -7.084 1.242 -2.497 1.00 0.00 O ATOM 644 CB SER A 51 -5.476 3.858 -3.939 1.00 0.00 C ATOM 645 OG SER A 51 -6.048 4.181 -5.192 1.00 0.00 O ATOM 0 H SER A 51 -4.090 2.391 -5.403 1.00 0.00 H new ATOM 0 HA SER A 51 -4.844 2.216 -2.717 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.095 4.283 -3.149 1.00 0.00 H new ATOM 0 HB3 SER A 51 -4.497 4.332 -3.866 1.00 0.00 H new ATOM 0 HG SER A 51 -5.357 4.147 -5.886 1.00 0.00 H new ATOM 651 N LEU A 52 -7.370 1.366 -4.725 1.00 0.00 N ATOM 652 CA LEU A 52 -8.620 0.597 -4.665 1.00 0.00 C ATOM 653 C LEU A 52 -8.395 -0.852 -4.211 1.00 0.00 C ATOM 654 O LEU A 52 -9.257 -1.411 -3.546 1.00 0.00 O ATOM 655 CB LEU A 52 -9.349 0.658 -6.018 1.00 0.00 C ATOM 656 CG LEU A 52 -10.836 1.062 -5.854 1.00 0.00 C ATOM 657 CD1 LEU A 52 -11.422 1.654 -7.142 1.00 0.00 C ATOM 658 CD2 LEU A 52 -11.726 -0.102 -5.398 1.00 0.00 C ATOM 0 H LEU A 52 -7.089 1.660 -5.660 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.254 1.058 -3.908 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.848 1.374 -6.669 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.288 -0.314 -6.507 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.833 1.824 -5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.466 1.922 -6.977 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.859 2.544 -7.422 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.358 0.917 -7.943 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.755 0.243 -5.301 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.680 -0.905 -6.134 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.375 -0.472 -4.435 1.00 0.00 H new ATOM 670 N LEU A 53 -7.242 -1.451 -4.511 1.00 0.00 N ATOM 671 CA LEU A 53 -6.865 -2.802 -4.095 1.00 0.00 C ATOM 672 C LEU A 53 -6.801 -2.909 -2.568 1.00 0.00 C ATOM 673 O LEU A 53 -7.416 -3.795 -1.983 1.00 0.00 O ATOM 674 CB LEU A 53 -5.514 -3.137 -4.743 1.00 0.00 C ATOM 675 CG LEU A 53 -5.109 -4.610 -4.682 1.00 0.00 C ATOM 676 CD1 LEU A 53 -5.911 -5.454 -5.684 1.00 0.00 C ATOM 677 CD2 LEU A 53 -3.605 -4.689 -4.953 1.00 0.00 C ATOM 0 H LEU A 53 -6.521 -0.994 -5.069 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.616 -3.521 -4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.544 -2.828 -5.788 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.739 -2.544 -4.257 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.331 -5.021 -3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.598 -6.496 -5.615 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.974 -5.378 -5.455 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.731 -5.088 -6.695 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.283 -5.730 -4.917 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.391 -4.277 -5.939 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.068 -4.116 -4.196 1.00 0.00 H new ATOM 689 N ILE A 54 -6.102 -1.985 -1.905 1.00 0.00 N ATOM 690 CA ILE A 54 -6.068 -1.950 -0.432 1.00 0.00 C ATOM 691 C ILE A 54 -7.457 -1.619 0.140 1.00 0.00 C ATOM 692 O ILE A 54 -7.864 -2.224 1.132 1.00 0.00 O ATOM 693 CB ILE A 54 -4.990 -0.966 0.075 1.00 0.00 C ATOM 694 CG1 ILE A 54 -3.586 -1.203 -0.523 1.00 0.00 C ATOM 695 CG2 ILE A 54 -4.905 -1.020 1.612 1.00 0.00 C ATOM 696 CD1 ILE A 54 -2.913 -2.518 -0.129 1.00 0.00 C ATOM 0 H ILE A 54 -5.553 -1.253 -2.357 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.794 -2.942 -0.073 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.309 0.020 -0.263 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.663 -1.166 -1.610 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.939 -0.380 -0.221 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.142 -0.323 1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.869 -0.745 2.040 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.643 -2.030 1.927 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.934 -2.582 -0.603 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.795 -2.556 0.954 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.530 -3.355 -0.456 1.00 0.00 H new ATOM 708 N SER A 55 -8.214 -0.721 -0.499 1.00 0.00 N ATOM 709 CA SER A 55 -9.594 -0.410 -0.086 1.00 0.00 C ATOM 710 C SER A 55 -10.546 -1.632 -0.148 1.00 0.00 C ATOM 711 O SER A 55 -11.293 -1.892 0.802 1.00 0.00 O ATOM 712 CB SER A 55 -10.146 0.728 -0.956 1.00 0.00 C ATOM 713 OG SER A 55 -11.329 1.276 -0.388 1.00 0.00 O ATOM 0 H SER A 55 -7.895 -0.191 -1.310 1.00 0.00 H new ATOM 0 HA SER A 55 -9.550 -0.106 0.960 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.393 1.509 -1.060 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.359 0.354 -1.958 1.00 0.00 H new ATOM 0 HG SER A 55 -11.661 2.000 -0.959 1.00 0.00 H new ATOM 719 N LYS A 56 -10.519 -2.405 -1.247 1.00 0.00 N ATOM 720 CA LYS A 56 -11.401 -3.562 -1.495 1.00 0.00 C ATOM 721 C LYS A 56 -10.893 -4.888 -0.889 1.00 0.00 C ATOM 722 O LYS A 56 -11.665 -5.846 -0.805 1.00 0.00 O ATOM 723 CB LYS A 56 -11.684 -3.666 -3.014 1.00 0.00 C ATOM 724 CG LYS A 56 -10.589 -4.348 -3.860 1.00 0.00 C ATOM 725 CD LYS A 56 -10.776 -4.043 -5.361 1.00 0.00 C ATOM 726 CE LYS A 56 -9.819 -4.803 -6.305 1.00 0.00 C ATOM 727 NZ LYS A 56 -10.125 -6.264 -6.364 1.00 0.00 N ATOM 0 H LYS A 56 -9.864 -2.238 -2.011 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.337 -3.383 -0.966 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.616 -4.213 -3.153 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.843 -2.661 -3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.607 -4.004 -3.535 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.618 -5.426 -3.698 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.802 -4.281 -5.640 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.643 -2.973 -5.518 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.887 -4.379 -7.307 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.792 -4.662 -5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.458 -6.733 -7.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.035 -6.676 -5.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.096 -6.402 -6.710 1.00 0.00 H new ATOM 741 N LYS A 57 -9.611 -4.915 -0.495 1.00 0.00 N ATOM 742 CA LYS A 57 -8.780 -5.972 0.120 1.00 0.00 C ATOM 743 C LYS A 57 -7.801 -6.586 -0.900 1.00 0.00 C ATOM 744 O LYS A 57 -8.118 -6.718 -2.086 1.00 0.00 O ATOM 745 CB LYS A 57 -9.547 -7.093 0.854 1.00 0.00 C ATOM 746 CG LYS A 57 -10.355 -6.680 2.097 1.00 0.00 C ATOM 747 CD LYS A 57 -9.502 -5.971 3.165 1.00 0.00 C ATOM 748 CE LYS A 57 -10.148 -6.049 4.558 1.00 0.00 C ATOM 749 NZ LYS A 57 -9.910 -7.367 5.211 1.00 0.00 N ATOM 0 H LYS A 57 -9.048 -4.073 -0.617 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.232 -5.442 0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.230 -7.559 0.144 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.829 -7.856 1.153 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.167 -6.020 1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.813 -7.566 2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.511 -6.424 3.198 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.365 -4.926 2.886 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.748 -5.255 5.188 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.221 -5.876 4.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.180 -7.311 6.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -10.481 -8.097 4.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -8.903 -7.614 5.137 1.00 0.00 H new ATOM 763 N GLY A 58 -6.622 -6.988 -0.398 1.00 0.00 N ATOM 764 CA GLY A 58 -5.420 -7.327 -1.171 1.00 0.00 C ATOM 765 C GLY A 58 -5.664 -8.266 -2.354 1.00 0.00 C ATOM 766 O GLY A 58 -5.536 -7.831 -3.497 1.00 0.00 O ATOM 0 H GLY A 58 -6.476 -7.090 0.606 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.972 -6.406 -1.543 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.693 -7.788 -0.503 1.00 0.00 H new ATOM 770 N TYR A 59 -6.023 -9.531 -2.086 1.00 0.00 N ATOM 771 CA TYR A 59 -6.392 -10.543 -3.077 1.00 0.00 C ATOM 772 C TYR A 59 -5.211 -10.832 -4.030 1.00 0.00 C ATOM 773 O TYR A 59 -4.072 -10.449 -3.753 1.00 0.00 O ATOM 774 CB TYR A 59 -7.721 -10.102 -3.733 1.00 0.00 C ATOM 775 CG TYR A 59 -8.388 -11.101 -4.660 1.00 0.00 C ATOM 776 CD1 TYR A 59 -8.838 -12.338 -4.160 1.00 0.00 C ATOM 777 CD2 TYR A 59 -8.517 -10.815 -6.034 1.00 0.00 C ATOM 778 CE1 TYR A 59 -9.412 -13.289 -5.026 1.00 0.00 C ATOM 779 CE2 TYR A 59 -9.086 -11.762 -6.906 1.00 0.00 C ATOM 780 CZ TYR A 59 -9.537 -13.003 -6.406 1.00 0.00 C ATOM 781 OH TYR A 59 -10.086 -13.918 -7.255 1.00 0.00 O ATOM 0 H TYR A 59 -6.065 -9.888 -1.131 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.586 -11.517 -2.628 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.425 -9.851 -2.940 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.536 -9.187 -4.296 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.743 -12.559 -3.107 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.178 -9.865 -6.420 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.756 -14.236 -4.637 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.178 -11.539 -7.959 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.095 -13.556 -8.165 1.00 0.00 H new ATOM 791 N VAL A 60 -5.451 -11.534 -5.135 1.00 0.00 N ATOM 792 CA VAL A 60 -4.482 -11.652 -6.232 1.00 0.00 C ATOM 793 C VAL A 60 -4.772 -10.558 -7.269 1.00 0.00 C ATOM 794 O VAL A 60 -5.843 -10.501 -7.869 1.00 0.00 O ATOM 795 CB VAL A 60 -4.466 -13.061 -6.844 1.00 0.00 C ATOM 796 CG1 VAL A 60 -3.376 -13.170 -7.922 1.00 0.00 C ATOM 797 CG2 VAL A 60 -4.187 -14.132 -5.774 1.00 0.00 C ATOM 0 H VAL A 60 -6.322 -12.039 -5.299 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.476 -11.503 -5.840 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.450 -13.229 -7.282 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.380 -14.175 -8.344 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.571 -12.444 -8.712 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.402 -12.968 -7.476 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.182 -15.118 -6.239 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.217 -13.943 -5.314 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.964 -14.095 -5.010 1.00 0.00 H new ATOM 807 N PHE A 61 -3.799 -9.663 -7.418 1.00 0.00 N ATOM 808 CA PHE A 61 -3.810 -8.452 -8.230 1.00 0.00 C ATOM 809 C PHE A 61 -3.425 -8.815 -9.674 1.00 0.00 C ATOM 810 O PHE A 61 -2.253 -9.050 -9.966 1.00 0.00 O ATOM 811 CB PHE A 61 -2.810 -7.507 -7.538 1.00 0.00 C ATOM 812 CG PHE A 61 -2.720 -6.051 -7.934 1.00 0.00 C ATOM 813 CD1 PHE A 61 -3.802 -5.351 -8.495 1.00 0.00 C ATOM 814 CD2 PHE A 61 -1.556 -5.347 -7.575 1.00 0.00 C ATOM 815 CE1 PHE A 61 -3.702 -3.964 -8.696 1.00 0.00 C ATOM 816 CE2 PHE A 61 -1.427 -3.977 -7.850 1.00 0.00 C ATOM 817 CZ PHE A 61 -2.507 -3.278 -8.408 1.00 0.00 C ATOM 0 H PHE A 61 -2.909 -9.777 -6.933 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.783 -7.966 -8.302 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.028 -7.536 -6.470 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.818 -7.937 -7.672 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.705 -5.876 -8.770 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.750 -5.869 -7.081 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.552 -3.417 -9.076 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.502 -3.464 -7.633 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.423 -2.221 -8.615 1.00 0.00 H new ATOM 827 N SER A 62 -4.429 -8.944 -10.543 1.00 0.00 N ATOM 828 CA SER A 62 -4.352 -9.666 -11.831 1.00 0.00 C ATOM 829 C SER A 62 -4.577 -8.773 -13.053 1.00 0.00 C ATOM 830 O SER A 62 -5.327 -7.806 -12.962 1.00 0.00 O ATOM 831 CB SER A 62 -5.502 -10.678 -11.874 1.00 0.00 C ATOM 832 OG SER A 62 -5.372 -11.665 -10.858 1.00 0.00 O ATOM 0 H SER A 62 -5.350 -8.540 -10.372 1.00 0.00 H new ATOM 0 HA SER A 62 -3.353 -10.099 -11.878 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.451 -10.156 -11.755 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.525 -11.162 -12.851 1.00 0.00 H new ATOM 0 HG SER A 62 -5.539 -11.257 -9.983 1.00 0.00 H new ATOM 838 N ARG A 63 -4.065 -9.150 -14.235 1.00 0.00 N ATOM 839 CA ARG A 63 -4.245 -8.394 -15.497 1.00 0.00 C ATOM 840 C ARG A 63 -5.703 -7.986 -15.828 1.00 0.00 C ATOM 841 O ARG A 63 -5.927 -6.850 -16.238 1.00 0.00 O ATOM 842 CB ARG A 63 -3.541 -9.118 -16.665 1.00 0.00 C ATOM 843 CG ARG A 63 -4.034 -10.545 -16.957 1.00 0.00 C ATOM 844 CD ARG A 63 -3.144 -11.229 -18.008 1.00 0.00 C ATOM 845 NE ARG A 63 -3.598 -12.605 -18.284 1.00 0.00 N ATOM 846 CZ ARG A 63 -4.607 -12.965 -19.071 1.00 0.00 C ATOM 847 NH1 ARG A 63 -5.333 -12.078 -19.717 1.00 0.00 N ATOM 848 NH2 ARG A 63 -4.900 -14.239 -19.217 1.00 0.00 N ATOM 0 H ARG A 63 -3.507 -9.997 -14.349 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.757 -7.433 -15.338 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -3.664 -8.519 -17.567 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.473 -9.158 -16.453 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -4.032 -11.130 -16.037 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -5.064 -10.513 -17.312 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.156 -10.648 -18.930 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.112 -11.248 -17.657 1.00 0.00 H new ATOM 0 HE ARG A 63 -3.085 -13.357 -17.824 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.128 -11.084 -19.621 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -6.101 -12.385 -20.314 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.354 -14.947 -18.727 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -5.674 -14.519 -19.820 1.00 0.00 H new ATOM 862 N GLU A 64 -6.696 -8.847 -15.570 1.00 0.00 N ATOM 863 CA GLU A 64 -8.124 -8.504 -15.703 1.00 0.00 C ATOM 864 C GLU A 64 -8.565 -7.428 -14.692 1.00 0.00 C ATOM 865 O GLU A 64 -9.061 -6.371 -15.071 1.00 0.00 O ATOM 866 CB GLU A 64 -8.970 -9.777 -15.535 1.00 0.00 C ATOM 867 CG GLU A 64 -10.412 -9.584 -16.017 1.00 0.00 C ATOM 868 CD GLU A 64 -11.210 -10.888 -15.878 1.00 0.00 C ATOM 869 OE1 GLU A 64 -11.155 -11.740 -16.797 1.00 0.00 O ATOM 870 OE2 GLU A 64 -11.897 -11.078 -14.846 1.00 0.00 O ATOM 0 H GLU A 64 -6.534 -9.806 -15.262 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.277 -8.083 -16.697 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.509 -10.593 -16.092 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.976 -10.071 -14.485 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.892 -8.795 -15.438 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -10.413 -9.261 -17.058 1.00 0.00 H new ATOM 877 N SER A 65 -8.352 -7.663 -13.395 1.00 0.00 N ATOM 878 CA SER A 65 -8.678 -6.704 -12.318 1.00 0.00 C ATOM 879 C SER A 65 -7.986 -5.345 -12.535 1.00 0.00 C ATOM 880 O SER A 65 -8.580 -4.280 -12.375 1.00 0.00 O ATOM 881 CB SER A 65 -8.236 -7.284 -10.961 1.00 0.00 C ATOM 882 OG SER A 65 -8.622 -8.645 -10.799 1.00 0.00 O ATOM 0 H SER A 65 -7.944 -8.532 -13.051 1.00 0.00 H new ATOM 0 HA SER A 65 -9.756 -6.543 -12.331 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.153 -7.203 -10.870 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.668 -6.689 -10.157 1.00 0.00 H new ATOM 0 HG SER A 65 -8.319 -8.969 -9.925 1.00 0.00 H new ATOM 888 N ILE A 66 -6.729 -5.393 -12.975 1.00 0.00 N ATOM 889 CA ILE A 66 -5.923 -4.241 -13.431 1.00 0.00 C ATOM 890 C ILE A 66 -6.600 -3.460 -14.563 1.00 0.00 C ATOM 891 O ILE A 66 -6.748 -2.241 -14.470 1.00 0.00 O ATOM 892 CB ILE A 66 -4.535 -4.775 -13.843 1.00 0.00 C ATOM 893 CG1 ILE A 66 -3.753 -5.270 -12.608 1.00 0.00 C ATOM 894 CG2 ILE A 66 -3.733 -3.806 -14.716 1.00 0.00 C ATOM 895 CD1 ILE A 66 -2.895 -4.233 -11.891 1.00 0.00 C ATOM 0 H ILE A 66 -6.214 -6.272 -13.029 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.821 -3.522 -12.618 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.706 -5.634 -14.492 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.467 -5.678 -11.892 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.108 -6.092 -12.918 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.770 -4.252 -14.964 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.285 -3.600 -15.633 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.572 -2.875 -14.173 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.395 -4.699 -11.042 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.148 -3.839 -12.580 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.528 -3.419 -11.538 1.00 0.00 H new ATOM 907 N ALA A 67 -7.038 -4.149 -15.614 1.00 0.00 N ATOM 908 CA ALA A 67 -7.769 -3.571 -16.740 1.00 0.00 C ATOM 909 C ALA A 67 -9.131 -3.005 -16.320 1.00 0.00 C ATOM 910 O ALA A 67 -9.636 -2.084 -16.959 1.00 0.00 O ATOM 911 CB ALA A 67 -7.966 -4.653 -17.804 1.00 0.00 C ATOM 0 H ALA A 67 -6.890 -5.154 -15.709 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.184 -2.741 -17.135 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.511 -4.236 -18.651 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.994 -5.014 -18.140 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.534 -5.481 -17.380 1.00 0.00 H new ATOM 917 N ILE A 68 -9.721 -3.537 -15.246 1.00 0.00 N ATOM 918 CA ILE A 68 -10.973 -3.014 -14.685 1.00 0.00 C ATOM 919 C ILE A 68 -10.724 -1.720 -13.884 1.00 0.00 C ATOM 920 O ILE A 68 -11.495 -0.772 -14.056 1.00 0.00 O ATOM 921 CB ILE A 68 -11.717 -4.124 -13.899 1.00 0.00 C ATOM 922 CG1 ILE A 68 -12.214 -5.223 -14.874 1.00 0.00 C ATOM 923 CG2 ILE A 68 -12.919 -3.555 -13.122 1.00 0.00 C ATOM 924 CD1 ILE A 68 -12.647 -6.523 -14.183 1.00 0.00 C ATOM 0 H ILE A 68 -9.347 -4.340 -14.741 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.643 -2.722 -15.493 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.014 -4.551 -13.184 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.054 -4.832 -15.448 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.420 -5.449 -15.585 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -13.418 -4.360 -12.582 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.571 -2.804 -12.413 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -13.620 -3.098 -13.820 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -12.981 -7.240 -14.933 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.804 -6.940 -13.632 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -13.464 -6.313 -13.493 1.00 0.00 H new ATOM 936 N GLU A 69 -9.662 -1.634 -13.062 1.00 0.00 N ATOM 937 CA GLU A 69 -9.468 -0.481 -12.160 1.00 0.00 C ATOM 938 C GLU A 69 -8.426 0.581 -12.601 1.00 0.00 C ATOM 939 O GLU A 69 -8.583 1.738 -12.209 1.00 0.00 O ATOM 940 CB GLU A 69 -9.188 -0.955 -10.723 1.00 0.00 C ATOM 941 CG GLU A 69 -10.314 -0.632 -9.745 1.00 0.00 C ATOM 942 CD GLU A 69 -11.583 -1.468 -9.970 1.00 0.00 C ATOM 943 OE1 GLU A 69 -11.562 -2.689 -9.687 1.00 0.00 O ATOM 944 OE2 GLU A 69 -12.623 -0.894 -10.374 1.00 0.00 O ATOM 0 H GLU A 69 -8.930 -2.342 -13.003 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.418 0.051 -12.211 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.022 -2.032 -10.730 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.267 -0.492 -10.369 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.958 -0.794 -8.728 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.566 0.425 -9.830 1.00 0.00 H new ATOM 951 N SER A 70 -7.399 0.272 -13.409 1.00 0.00 N ATOM 952 CA SER A 70 -6.619 1.329 -14.106 1.00 0.00 C ATOM 953 C SER A 70 -7.275 1.659 -15.452 1.00 0.00 C ATOM 954 O SER A 70 -7.576 2.827 -15.720 1.00 0.00 O ATOM 955 CB SER A 70 -5.127 0.962 -14.288 1.00 0.00 C ATOM 956 OG SER A 70 -4.627 1.175 -15.607 1.00 0.00 O ATOM 0 H SER A 70 -7.087 -0.680 -13.599 1.00 0.00 H new ATOM 0 HA SER A 70 -6.633 2.214 -13.470 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.533 1.549 -13.588 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.988 -0.086 -14.024 1.00 0.00 H new ATOM 0 HG SER A 70 -3.681 0.923 -15.643 1.00 0.00 H new ATOM 962 N GLU A 71 -7.490 0.630 -16.290 1.00 0.00 N ATOM 963 CA GLU A 71 -8.135 0.734 -17.607 1.00 0.00 C ATOM 964 C GLU A 71 -7.329 1.613 -18.602 1.00 0.00 C ATOM 965 O GLU A 71 -7.837 2.044 -19.637 1.00 0.00 O ATOM 966 CB GLU A 71 -9.603 1.162 -17.398 1.00 0.00 C ATOM 967 CG GLU A 71 -10.545 0.833 -18.567 1.00 0.00 C ATOM 968 CD GLU A 71 -12.004 1.157 -18.211 1.00 0.00 C ATOM 969 OE1 GLU A 71 -12.348 2.357 -18.073 1.00 0.00 O ATOM 970 OE2 GLU A 71 -12.835 0.224 -18.099 1.00 0.00 O ATOM 0 H GLU A 71 -7.211 -0.324 -16.061 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.143 -0.239 -18.099 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.982 0.679 -16.498 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -9.631 2.237 -17.219 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.248 1.401 -19.448 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.456 -0.223 -18.824 1.00 0.00 H new ATOM 977 N SER A 72 -6.047 1.885 -18.312 1.00 0.00 N ATOM 978 CA SER A 72 -5.169 2.701 -19.169 1.00 0.00 C ATOM 979 C SER A 72 -4.811 2.004 -20.502 1.00 0.00 C ATOM 980 O SER A 72 -4.586 2.665 -21.522 1.00 0.00 O ATOM 981 CB SER A 72 -3.899 3.058 -18.378 1.00 0.00 C ATOM 982 OG SER A 72 -3.139 4.068 -19.030 1.00 0.00 O ATOM 0 H SER A 72 -5.586 1.542 -17.469 1.00 0.00 H new ATOM 0 HA SER A 72 -5.710 3.607 -19.443 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.176 3.398 -17.380 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.286 2.166 -18.252 1.00 0.00 H new ATOM 0 HG SER A 72 -2.341 4.271 -18.499 1.00 0.00 H new ATOM 988 N ILE A 73 -4.810 0.663 -20.521 1.00 0.00 N ATOM 989 CA ILE A 73 -4.656 -0.178 -21.723 1.00 0.00 C ATOM 990 C ILE A 73 -6.036 -0.692 -22.175 1.00 0.00 C ATOM 991 O ILE A 73 -6.832 -1.167 -21.363 1.00 0.00 O ATOM 992 CB ILE A 73 -3.648 -1.320 -21.435 1.00 0.00 C ATOM 993 CG1 ILE A 73 -2.232 -0.792 -21.086 1.00 0.00 C ATOM 994 CG2 ILE A 73 -3.563 -2.329 -22.595 1.00 0.00 C ATOM 995 CD1 ILE A 73 -1.563 0.097 -22.144 1.00 0.00 C ATOM 0 H ILE A 73 -4.920 0.112 -19.670 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.248 0.406 -22.548 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.038 -1.838 -20.559 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.296 -0.229 -20.155 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.584 -1.648 -20.897 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.844 -3.110 -22.346 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.543 -2.777 -22.760 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.242 -1.815 -23.501 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -0.579 0.406 -21.790 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.456 -0.462 -23.074 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.179 0.979 -22.320 1.00 0.00 H new ATOM 1007 N ASN A 74 -6.327 -0.579 -23.478 1.00 0.00 N ATOM 1008 CA ASN A 74 -7.670 -0.787 -24.040 1.00 0.00 C ATOM 1009 C ASN A 74 -8.208 -2.240 -23.958 1.00 0.00 C ATOM 1010 O ASN A 74 -9.334 -2.401 -23.469 1.00 0.00 O ATOM 1011 CB ASN A 74 -7.718 -0.236 -25.477 1.00 0.00 C ATOM 1012 CG ASN A 74 -7.512 1.277 -25.524 1.00 0.00 C ATOM 1013 OD1 ASN A 74 -6.410 1.764 -25.751 1.00 0.00 O ATOM 1014 ND2 ASN A 74 -8.553 2.060 -25.297 1.00 0.00 N ATOM 0 H ASN A 74 -5.628 -0.338 -24.181 1.00 0.00 H new ATOM 0 HA ASN A 74 -8.355 -0.228 -23.403 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -6.950 -0.724 -26.077 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.679 -0.484 -25.927 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.441 3.074 -25.310 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -9.468 1.650 -25.109 1.00 0.00 H new ATOM 1021 N PRO A 75 -7.487 -3.291 -24.418 1.00 0.00 N ATOM 1022 CA PRO A 75 -7.969 -4.673 -24.337 1.00 0.00 C ATOM 1023 C PRO A 75 -7.990 -5.168 -22.885 1.00 0.00 C ATOM 1024 O PRO A 75 -7.042 -4.945 -22.133 1.00 0.00 O ATOM 1025 CB PRO A 75 -7.027 -5.506 -25.214 1.00 0.00 C ATOM 1026 CG PRO A 75 -5.728 -4.702 -25.199 1.00 0.00 C ATOM 1027 CD PRO A 75 -6.233 -3.261 -25.166 1.00 0.00 C ATOM 0 HA PRO A 75 -8.997 -4.758 -24.690 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -6.884 -6.509 -24.811 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -7.417 -5.622 -26.225 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -5.115 -4.937 -24.329 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.119 -4.899 -26.081 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -5.508 -2.604 -24.686 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -6.389 -2.879 -26.175 1.00 0.00 H new ATOM 1035 N GLU A 76 -9.067 -5.866 -22.501 1.00 0.00 N ATOM 1036 CA GLU A 76 -9.312 -6.298 -21.115 1.00 0.00 C ATOM 1037 C GLU A 76 -8.360 -7.424 -20.654 1.00 0.00 C ATOM 1038 O GLU A 76 -8.133 -7.601 -19.458 1.00 0.00 O ATOM 1039 CB GLU A 76 -10.788 -6.712 -20.983 1.00 0.00 C ATOM 1040 CG GLU A 76 -11.258 -6.866 -19.532 1.00 0.00 C ATOM 1041 CD GLU A 76 -12.770 -7.131 -19.479 1.00 0.00 C ATOM 1042 OE1 GLU A 76 -13.187 -8.312 -19.562 1.00 0.00 O ATOM 1043 OE2 GLU A 76 -13.558 -6.163 -19.360 1.00 0.00 O ATOM 0 H GLU A 76 -9.801 -6.150 -23.149 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.102 -5.459 -20.452 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.411 -5.968 -21.480 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.940 -7.656 -21.507 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.722 -7.687 -19.056 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -11.022 -5.963 -18.970 1.00 0.00 H new ATOM 1050 N SER A 77 -7.761 -8.171 -21.587 1.00 0.00 N ATOM 1051 CA SER A 77 -6.760 -9.202 -21.268 1.00 0.00 C ATOM 1052 C SER A 77 -5.446 -8.601 -20.740 1.00 0.00 C ATOM 1053 O SER A 77 -4.849 -9.172 -19.831 1.00 0.00 O ATOM 1054 CB SER A 77 -6.480 -10.066 -22.509 1.00 0.00 C ATOM 1055 OG SER A 77 -7.652 -10.766 -22.916 1.00 0.00 O ATOM 0 H SER A 77 -7.954 -8.080 -22.584 1.00 0.00 H new ATOM 0 HA SER A 77 -7.176 -9.820 -20.473 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.127 -9.435 -23.324 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.684 -10.778 -22.290 1.00 0.00 H new ATOM 0 HG SER A 77 -7.451 -11.308 -23.708 1.00 0.00 H new ATOM 1061 N SER A 78 -5.018 -7.451 -21.276 1.00 0.00 N ATOM 1062 CA SER A 78 -4.151 -6.449 -20.623 1.00 0.00 C ATOM 1063 C SER A 78 -2.776 -6.925 -20.104 1.00 0.00 C ATOM 1064 O SER A 78 -2.187 -6.307 -19.213 1.00 0.00 O ATOM 1065 CB SER A 78 -4.960 -5.729 -19.537 1.00 0.00 C ATOM 1066 OG SER A 78 -4.574 -4.364 -19.444 1.00 0.00 O ATOM 0 H SER A 78 -5.277 -7.176 -22.223 1.00 0.00 H new ATOM 0 HA SER A 78 -3.854 -5.766 -21.419 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.024 -5.796 -19.764 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.808 -6.221 -18.577 1.00 0.00 H new ATOM 0 HG SER A 78 -5.102 -3.921 -18.747 1.00 0.00 H new ATOM 1072 N ASN A 79 -2.204 -8.008 -20.648 1.00 0.00 N ATOM 1073 CA ASN A 79 -0.934 -8.550 -20.141 1.00 0.00 C ATOM 1074 C ASN A 79 0.216 -7.529 -20.232 1.00 0.00 C ATOM 1075 O ASN A 79 1.026 -7.452 -19.316 1.00 0.00 O ATOM 1076 CB ASN A 79 -0.597 -9.871 -20.854 1.00 0.00 C ATOM 1077 CG ASN A 79 0.376 -10.740 -20.048 1.00 0.00 C ATOM 1078 OD1 ASN A 79 -0.017 -11.750 -19.479 1.00 0.00 O ATOM 1079 ND2 ASN A 79 1.648 -10.391 -19.945 1.00 0.00 N ATOM 0 H ASN A 79 -2.597 -8.524 -21.435 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.059 -8.761 -19.079 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.516 -10.429 -21.032 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.162 -9.653 -21.830 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.291 -10.962 -19.396 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.986 -9.551 -20.415 1.00 0.00 H new ATOM 1086 N LYS A 80 0.255 -6.681 -21.272 1.00 0.00 N ATOM 1087 CA LYS A 80 1.250 -5.595 -21.395 1.00 0.00 C ATOM 1088 C LYS A 80 1.060 -4.489 -20.345 1.00 0.00 C ATOM 1089 O LYS A 80 2.045 -3.893 -19.909 1.00 0.00 O ATOM 1090 CB LYS A 80 1.233 -5.014 -22.824 1.00 0.00 C ATOM 1091 CG LYS A 80 2.210 -5.672 -23.819 1.00 0.00 C ATOM 1092 CD LYS A 80 1.717 -6.942 -24.536 1.00 0.00 C ATOM 1093 CE LYS A 80 1.837 -8.272 -23.770 1.00 0.00 C ATOM 1094 NZ LYS A 80 3.246 -8.650 -23.466 1.00 0.00 N ATOM 0 H LYS A 80 -0.400 -6.726 -22.052 1.00 0.00 H new ATOM 0 HA LYS A 80 2.229 -6.033 -21.201 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.222 -5.103 -23.222 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.461 -3.950 -22.768 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.472 -4.934 -24.577 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.127 -5.918 -23.283 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.669 -6.797 -24.799 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.270 -7.039 -25.470 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.278 -8.198 -22.837 1.00 0.00 H new ATOM 0 HE3 LYS A 80 1.374 -9.065 -24.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.390 -9.657 -23.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.892 -8.076 -24.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.441 -8.481 -22.459 1.00 0.00 H new ATOM 1108 N SER A 81 -0.164 -4.273 -19.856 1.00 0.00 N ATOM 1109 CA SER A 81 -0.372 -3.449 -18.656 1.00 0.00 C ATOM 1110 C SER A 81 0.342 -4.103 -17.472 1.00 0.00 C ATOM 1111 O SER A 81 1.261 -3.513 -16.915 1.00 0.00 O ATOM 1112 CB SER A 81 -1.863 -3.239 -18.370 1.00 0.00 C ATOM 1113 OG SER A 81 -2.037 -2.132 -17.500 1.00 0.00 O ATOM 0 H SER A 81 -1.019 -4.651 -20.265 1.00 0.00 H new ATOM 0 HA SER A 81 0.052 -2.459 -18.824 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.400 -3.067 -19.303 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.286 -4.137 -17.919 1.00 0.00 H new ATOM 0 HG SER A 81 -2.992 -2.002 -17.323 1.00 0.00 H new ATOM 1119 N ILE A 82 0.050 -5.375 -17.165 1.00 0.00 N ATOM 1120 CA ILE A 82 0.765 -6.110 -16.103 1.00 0.00 C ATOM 1121 C ILE A 82 2.296 -6.124 -16.295 1.00 0.00 C ATOM 1122 O ILE A 82 3.010 -5.983 -15.308 1.00 0.00 O ATOM 1123 CB ILE A 82 0.125 -7.508 -15.885 1.00 0.00 C ATOM 1124 CG1 ILE A 82 -0.823 -7.493 -14.660 1.00 0.00 C ATOM 1125 CG2 ILE A 82 1.119 -8.679 -15.797 1.00 0.00 C ATOM 1126 CD1 ILE A 82 -0.181 -7.296 -13.278 1.00 0.00 C ATOM 0 H ILE A 82 -0.675 -5.918 -17.634 1.00 0.00 H new ATOM 0 HA ILE A 82 0.638 -5.563 -15.169 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.447 -7.699 -16.793 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.555 -6.699 -14.809 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.372 -8.434 -14.646 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.572 -9.610 -15.644 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.690 -8.742 -16.723 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.799 -8.517 -14.961 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.956 -7.306 -12.512 1.00 0.00 H new ATOM 0 HD12 ILE A 82 0.527 -8.102 -13.088 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.342 -6.340 -13.253 1.00 0.00 H new ATOM 1138 N ASP A 83 2.808 -6.189 -17.527 1.00 0.00 N ATOM 1139 CA ASP A 83 4.248 -6.107 -17.813 1.00 0.00 C ATOM 1140 C ASP A 83 4.836 -4.727 -17.453 1.00 0.00 C ATOM 1141 O ASP A 83 5.875 -4.678 -16.793 1.00 0.00 O ATOM 1142 CB ASP A 83 4.550 -6.446 -19.283 1.00 0.00 C ATOM 1143 CG ASP A 83 4.229 -7.898 -19.682 1.00 0.00 C ATOM 1144 OD1 ASP A 83 4.679 -8.836 -18.981 1.00 0.00 O ATOM 1145 OD2 ASP A 83 3.584 -8.094 -20.742 1.00 0.00 O ATOM 0 H ASP A 83 2.233 -6.301 -18.362 1.00 0.00 H new ATOM 0 HA ASP A 83 4.731 -6.850 -17.179 1.00 0.00 H new ATOM 0 HB2 ASP A 83 3.980 -5.772 -19.923 1.00 0.00 H new ATOM 0 HB3 ASP A 83 5.605 -6.254 -19.478 1.00 0.00 H new ATOM 1150 N VAL A 84 4.165 -3.618 -17.819 1.00 0.00 N ATOM 1151 CA VAL A 84 4.548 -2.263 -17.333 1.00 0.00 C ATOM 1152 C VAL A 84 4.524 -2.231 -15.813 1.00 0.00 C ATOM 1153 O VAL A 84 5.477 -1.775 -15.188 1.00 0.00 O ATOM 1154 CB VAL A 84 3.629 -1.110 -17.823 1.00 0.00 C ATOM 1155 CG1 VAL A 84 3.914 0.251 -17.157 1.00 0.00 C ATOM 1156 CG2 VAL A 84 3.811 -0.926 -19.340 1.00 0.00 C ATOM 0 H VAL A 84 3.360 -3.625 -18.445 1.00 0.00 H new ATOM 0 HA VAL A 84 5.543 -2.094 -17.745 1.00 0.00 H new ATOM 0 HB VAL A 84 2.615 -1.405 -17.553 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.230 1.001 -17.554 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.773 0.166 -16.080 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.941 0.550 -17.366 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.168 -0.118 -19.688 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.851 -0.680 -19.555 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.543 -1.850 -19.853 1.00 0.00 H new ATOM 1166 N ILE A 85 3.418 -2.686 -15.228 1.00 0.00 N ATOM 1167 CA ILE A 85 3.118 -2.508 -13.809 1.00 0.00 C ATOM 1168 C ILE A 85 4.098 -3.310 -12.968 1.00 0.00 C ATOM 1169 O ILE A 85 4.828 -2.717 -12.185 1.00 0.00 O ATOM 1170 CB ILE A 85 1.628 -2.830 -13.554 1.00 0.00 C ATOM 1171 CG1 ILE A 85 0.798 -1.778 -14.326 1.00 0.00 C ATOM 1172 CG2 ILE A 85 1.297 -2.818 -12.047 1.00 0.00 C ATOM 1173 CD1 ILE A 85 -0.719 -1.911 -14.224 1.00 0.00 C ATOM 0 H ILE A 85 2.694 -3.196 -15.734 1.00 0.00 H new ATOM 0 HA ILE A 85 3.256 -1.471 -13.503 1.00 0.00 H new ATOM 0 HB ILE A 85 1.390 -3.834 -13.904 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.080 -0.788 -13.967 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.076 -1.827 -15.379 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.241 -3.048 -11.905 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.904 -3.565 -11.535 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.512 -1.832 -11.635 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.193 -1.120 -14.805 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.026 -2.881 -14.614 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.022 -1.827 -13.180 1.00 0.00 H new ATOM 1185 N ILE A 86 4.202 -4.619 -13.176 1.00 0.00 N ATOM 1186 CA ILE A 86 5.139 -5.469 -12.430 1.00 0.00 C ATOM 1187 C ILE A 86 6.590 -5.111 -12.757 1.00 0.00 C ATOM 1188 O ILE A 86 7.409 -5.069 -11.840 1.00 0.00 O ATOM 1189 CB ILE A 86 4.807 -6.961 -12.666 1.00 0.00 C ATOM 1190 CG1 ILE A 86 3.372 -7.321 -12.210 1.00 0.00 C ATOM 1191 CG2 ILE A 86 5.828 -7.880 -11.973 1.00 0.00 C ATOM 1192 CD1 ILE A 86 2.983 -6.881 -10.790 1.00 0.00 C ATOM 0 H ILE A 86 3.643 -5.124 -13.863 1.00 0.00 H new ATOM 0 HA ILE A 86 5.022 -5.283 -11.362 1.00 0.00 H new ATOM 0 HB ILE A 86 4.865 -7.123 -13.742 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.667 -6.876 -12.912 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.251 -8.402 -12.279 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.565 -8.921 -12.159 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.824 -7.681 -12.369 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.819 -7.690 -10.900 1.00 0.00 H new ATOM 0 HD11 ILE A 86 1.958 -7.187 -10.582 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.654 -7.347 -10.068 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.061 -5.797 -10.711 1.00 0.00 H new ATOM 1204 N GLY A 87 6.912 -4.759 -14.008 1.00 0.00 N ATOM 1205 CA GLY A 87 8.266 -4.345 -14.391 1.00 0.00 C ATOM 1206 C GLY A 87 8.723 -3.096 -13.638 1.00 0.00 C ATOM 1207 O GLY A 87 9.801 -3.097 -13.045 1.00 0.00 O ATOM 0 H GLY A 87 6.244 -4.753 -14.779 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.962 -5.160 -14.195 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.295 -4.152 -15.463 1.00 0.00 H new ATOM 1211 N ARG A 88 7.901 -2.038 -13.605 1.00 0.00 N ATOM 1212 CA ARG A 88 8.248 -0.769 -12.975 1.00 0.00 C ATOM 1213 C ARG A 88 7.977 -0.746 -11.456 1.00 0.00 C ATOM 1214 O ARG A 88 8.684 -0.031 -10.756 1.00 0.00 O ATOM 1215 CB ARG A 88 7.572 0.383 -13.736 1.00 0.00 C ATOM 1216 CG ARG A 88 8.319 0.842 -15.002 1.00 0.00 C ATOM 1217 CD ARG A 88 8.209 -0.112 -16.203 1.00 0.00 C ATOM 1218 NE ARG A 88 8.992 0.375 -17.355 1.00 0.00 N ATOM 1219 CZ ARG A 88 8.649 1.307 -18.240 1.00 0.00 C ATOM 1220 NH1 ARG A 88 7.515 1.975 -18.165 1.00 0.00 N ATOM 1221 NH2 ARG A 88 9.464 1.585 -19.234 1.00 0.00 N ATOM 0 H ARG A 88 6.969 -2.045 -14.020 1.00 0.00 H new ATOM 0 HA ARG A 88 9.327 -0.635 -13.048 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.565 0.074 -14.016 1.00 0.00 H new ATOM 0 HB3 ARG A 88 7.468 1.234 -13.063 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.937 1.819 -15.297 1.00 0.00 H new ATOM 0 HG3 ARG A 88 9.373 0.973 -14.756 1.00 0.00 H new ATOM 0 HD2 ARG A 88 8.561 -1.103 -15.915 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.163 -0.217 -16.491 1.00 0.00 H new ATOM 0 HE ARG A 88 9.907 -0.055 -17.489 1.00 0.00 H new ATOM 0 HH11 ARG A 88 6.860 1.785 -17.406 1.00 0.00 H new ATOM 0 HH12 ARG A 88 7.292 2.682 -18.866 1.00 0.00 H new ATOM 0 HH21 ARG A 88 10.350 1.088 -19.321 1.00 0.00 H new ATOM 0 HH22 ARG A 88 9.210 2.298 -19.918 1.00 0.00 H new ATOM 1235 N LEU A 89 7.073 -1.571 -10.904 1.00 0.00 N ATOM 1236 CA LEU A 89 6.967 -1.831 -9.456 1.00 0.00 C ATOM 1237 C LEU A 89 8.239 -2.535 -8.956 1.00 0.00 C ATOM 1238 O LEU A 89 8.874 -2.051 -8.021 1.00 0.00 O ATOM 1239 CB LEU A 89 5.666 -2.633 -9.205 1.00 0.00 C ATOM 1240 CG LEU A 89 5.074 -2.576 -7.785 1.00 0.00 C ATOM 1241 CD1 LEU A 89 3.674 -3.210 -7.794 1.00 0.00 C ATOM 1242 CD2 LEU A 89 5.934 -3.287 -6.731 1.00 0.00 C ATOM 0 H LEU A 89 6.386 -2.084 -11.456 1.00 0.00 H new ATOM 0 HA LEU A 89 6.898 -0.906 -8.884 1.00 0.00 H new ATOM 0 HB2 LEU A 89 4.908 -2.277 -9.903 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.859 -3.677 -9.450 1.00 0.00 H new ATOM 0 HG LEU A 89 5.035 -1.523 -7.506 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.251 -3.172 -6.790 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.030 -2.660 -8.480 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.747 -4.248 -8.118 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.455 -3.206 -5.755 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.040 -4.339 -6.997 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.919 -2.822 -6.691 1.00 0.00 H new ATOM 1254 N ARG A 90 8.689 -3.596 -9.641 1.00 0.00 N ATOM 1255 CA ARG A 90 9.991 -4.226 -9.367 1.00 0.00 C ATOM 1256 C ARG A 90 11.147 -3.229 -9.525 1.00 0.00 C ATOM 1257 O ARG A 90 12.008 -3.165 -8.657 1.00 0.00 O ATOM 1258 CB ARG A 90 10.199 -5.475 -10.235 1.00 0.00 C ATOM 1259 CG ARG A 90 9.311 -6.637 -9.753 1.00 0.00 C ATOM 1260 CD ARG A 90 9.422 -7.871 -10.657 1.00 0.00 C ATOM 1261 NE ARG A 90 10.760 -8.490 -10.577 1.00 0.00 N ATOM 1262 CZ ARG A 90 11.719 -8.481 -11.498 1.00 0.00 C ATOM 1263 NH1 ARG A 90 11.575 -7.888 -12.666 1.00 0.00 N ATOM 1264 NH2 ARG A 90 12.864 -9.080 -11.247 1.00 0.00 N ATOM 0 H ARG A 90 8.166 -4.040 -10.396 1.00 0.00 H new ATOM 0 HA ARG A 90 9.986 -4.548 -8.326 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.967 -5.242 -11.274 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.246 -5.775 -10.202 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.593 -6.909 -8.736 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.273 -6.307 -9.719 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.666 -8.601 -10.370 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.214 -7.586 -11.688 1.00 0.00 H new ATOM 0 HE ARG A 90 10.975 -8.984 -9.711 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.702 -7.412 -12.892 1.00 0.00 H new ATOM 0 HH12 ARG A 90 12.337 -7.905 -13.344 1.00 0.00 H new ATOM 0 HH21 ARG A 90 13.010 -9.546 -10.352 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.605 -9.078 -11.948 1.00 0.00 H new ATOM 1278 N SER A 91 11.135 -2.387 -10.561 1.00 0.00 N ATOM 1279 CA SER A 91 12.130 -1.313 -10.741 1.00 0.00 C ATOM 1280 C SER A 91 12.167 -0.341 -9.552 1.00 0.00 C ATOM 1281 O SER A 91 13.238 -0.105 -8.986 1.00 0.00 O ATOM 1282 CB SER A 91 11.888 -0.571 -12.063 1.00 0.00 C ATOM 1283 OG SER A 91 13.008 0.226 -12.422 1.00 0.00 O ATOM 0 H SER A 91 10.436 -2.426 -11.303 1.00 0.00 H new ATOM 0 HA SER A 91 13.112 -1.784 -10.783 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.684 -1.292 -12.855 1.00 0.00 H new ATOM 0 HB3 SER A 91 11.004 0.061 -11.971 1.00 0.00 H new ATOM 0 HG SER A 91 12.825 0.685 -13.268 1.00 0.00 H new ATOM 1289 N LYS A 92 11.008 0.146 -9.083 1.00 0.00 N ATOM 1290 CA LYS A 92 10.927 0.937 -7.848 1.00 0.00 C ATOM 1291 C LYS A 92 11.540 0.221 -6.632 1.00 0.00 C ATOM 1292 O LYS A 92 12.421 0.776 -5.982 1.00 0.00 O ATOM 1293 CB LYS A 92 9.459 1.326 -7.599 1.00 0.00 C ATOM 1294 CG LYS A 92 8.991 2.518 -8.449 1.00 0.00 C ATOM 1295 CD LYS A 92 9.557 3.856 -7.948 1.00 0.00 C ATOM 1296 CE LYS A 92 10.746 4.405 -8.747 1.00 0.00 C ATOM 1297 NZ LYS A 92 11.239 5.667 -8.130 1.00 0.00 N ATOM 0 H LYS A 92 10.110 0.004 -9.545 1.00 0.00 H new ATOM 0 HA LYS A 92 11.527 1.837 -7.981 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.822 0.467 -7.810 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.329 1.568 -6.544 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.295 2.363 -9.484 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.902 2.562 -8.440 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.758 4.597 -7.961 1.00 0.00 H new ATOM 0 HD3 LYS A 92 9.863 3.736 -6.909 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.548 3.667 -8.774 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.447 4.588 -9.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 11.806 6.194 -8.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.429 6.247 -7.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 11.827 5.442 -7.302 1.00 0.00 H new ATOM 1311 N ILE A 93 11.119 -1.011 -6.320 1.00 0.00 N ATOM 1312 CA ILE A 93 11.566 -1.712 -5.088 1.00 0.00 C ATOM 1313 C ILE A 93 12.959 -2.372 -5.220 1.00 0.00 C ATOM 1314 O ILE A 93 13.513 -2.852 -4.232 1.00 0.00 O ATOM 1315 CB ILE A 93 10.467 -2.662 -4.546 1.00 0.00 C ATOM 1316 CG1 ILE A 93 10.399 -3.968 -5.364 1.00 0.00 C ATOM 1317 CG2 ILE A 93 9.111 -1.930 -4.509 1.00 0.00 C ATOM 1318 CD1 ILE A 93 9.261 -4.912 -4.967 1.00 0.00 C ATOM 0 H ILE A 93 10.472 -1.550 -6.895 1.00 0.00 H new ATOM 0 HA ILE A 93 11.713 -0.946 -4.326 1.00 0.00 H new ATOM 0 HB ILE A 93 10.723 -2.949 -3.526 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.292 -3.715 -6.419 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.346 -4.497 -5.258 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.344 -2.604 -4.127 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.185 -1.059 -3.858 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.843 -1.609 -5.516 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.291 -5.803 -5.595 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.375 -5.200 -3.922 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.305 -4.406 -5.101 1.00 0.00 H new ATOM 1330 N GLU A 94 13.544 -2.377 -6.421 1.00 0.00 N ATOM 1331 CA GLU A 94 14.954 -2.701 -6.661 1.00 0.00 C ATOM 1332 C GLU A 94 15.858 -1.471 -6.437 1.00 0.00 C ATOM 1333 O GLU A 94 16.877 -1.575 -5.750 1.00 0.00 O ATOM 1334 CB GLU A 94 15.108 -3.253 -8.090 1.00 0.00 C ATOM 1335 CG GLU A 94 16.543 -3.673 -8.420 1.00 0.00 C ATOM 1336 CD GLU A 94 16.613 -4.334 -9.804 1.00 0.00 C ATOM 1337 OE1 GLU A 94 16.723 -3.610 -10.823 1.00 0.00 O ATOM 1338 OE2 GLU A 94 16.568 -5.585 -9.886 1.00 0.00 O ATOM 0 H GLU A 94 13.037 -2.150 -7.276 1.00 0.00 H new ATOM 0 HA GLU A 94 15.271 -3.461 -5.947 1.00 0.00 H new ATOM 0 HB2 GLU A 94 14.447 -4.111 -8.215 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.785 -2.495 -8.803 1.00 0.00 H new ATOM 0 HG2 GLU A 94 17.197 -2.801 -8.395 1.00 0.00 H new ATOM 0 HG3 GLU A 94 16.907 -4.366 -7.662 1.00 0.00 H new ATOM 1345 N LYS A 95 15.507 -0.308 -7.006 1.00 0.00 N ATOM 1346 CA LYS A 95 16.361 0.893 -6.969 1.00 0.00 C ATOM 1347 C LYS A 95 16.239 1.709 -5.667 1.00 0.00 C ATOM 1348 O LYS A 95 17.252 2.179 -5.140 1.00 0.00 O ATOM 1349 CB LYS A 95 16.068 1.763 -8.204 1.00 0.00 C ATOM 1350 CG LYS A 95 16.488 1.053 -9.505 1.00 0.00 C ATOM 1351 CD LYS A 95 16.387 1.953 -10.744 1.00 0.00 C ATOM 1352 CE LYS A 95 14.951 2.444 -10.985 1.00 0.00 C ATOM 1353 NZ LYS A 95 14.832 3.169 -12.278 1.00 0.00 N ATOM 0 H LYS A 95 14.627 -0.172 -7.503 1.00 0.00 H new ATOM 0 HA LYS A 95 17.396 0.552 -6.990 1.00 0.00 H new ATOM 0 HB2 LYS A 95 15.004 1.996 -8.242 1.00 0.00 H new ATOM 0 HB3 LYS A 95 16.599 2.711 -8.117 1.00 0.00 H new ATOM 0 HG2 LYS A 95 17.514 0.699 -9.403 1.00 0.00 H new ATOM 0 HG3 LYS A 95 15.861 0.174 -9.650 1.00 0.00 H new ATOM 0 HD2 LYS A 95 17.048 2.811 -10.623 1.00 0.00 H new ATOM 0 HD3 LYS A 95 16.734 1.404 -11.620 1.00 0.00 H new ATOM 0 HE2 LYS A 95 14.269 1.594 -10.979 1.00 0.00 H new ATOM 0 HE3 LYS A 95 14.648 3.101 -10.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 13.850 3.486 -12.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 15.465 3.994 -12.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 15.097 2.534 -13.058 1.00 0.00 H new ATOM 1367 N ASN A 96 15.027 1.869 -5.122 1.00 0.00 N ATOM 1368 CA ASN A 96 14.801 2.467 -3.796 1.00 0.00 C ATOM 1369 C ASN A 96 15.143 1.459 -2.666 1.00 0.00 C ATOM 1370 O ASN A 96 15.095 0.247 -2.904 1.00 0.00 O ATOM 1371 CB ASN A 96 13.351 2.992 -3.711 1.00 0.00 C ATOM 1372 CG ASN A 96 13.099 4.172 -4.654 1.00 0.00 C ATOM 1373 OD1 ASN A 96 12.493 4.048 -5.713 1.00 0.00 O ATOM 1374 ND2 ASN A 96 13.569 5.356 -4.301 1.00 0.00 N ATOM 0 H ASN A 96 14.167 1.585 -5.591 1.00 0.00 H new ATOM 0 HA ASN A 96 15.471 3.315 -3.656 1.00 0.00 H new ATOM 0 HB2 ASN A 96 12.661 2.184 -3.953 1.00 0.00 H new ATOM 0 HB3 ASN A 96 13.138 3.298 -2.687 1.00 0.00 H new ATOM 0 HD21 ASN A 96 13.427 6.163 -4.909 1.00 0.00 H new ATOM 0 HD22 ASN A 96 14.073 5.463 -3.421 1.00 0.00 H new ATOM 1381 N PRO A 97 15.467 1.927 -1.437 1.00 0.00 N ATOM 1382 CA PRO A 97 15.823 1.055 -0.310 1.00 0.00 C ATOM 1383 C PRO A 97 14.639 0.240 0.240 1.00 0.00 C ATOM 1384 O PRO A 97 14.857 -0.723 0.974 1.00 0.00 O ATOM 1385 CB PRO A 97 16.414 1.986 0.755 1.00 0.00 C ATOM 1386 CG PRO A 97 15.732 3.322 0.479 1.00 0.00 C ATOM 1387 CD PRO A 97 15.615 3.327 -1.044 1.00 0.00 C ATOM 0 HA PRO A 97 16.533 0.294 -0.633 1.00 0.00 H new ATOM 0 HB2 PRO A 97 16.203 1.628 1.763 1.00 0.00 H new ATOM 0 HB3 PRO A 97 17.498 2.062 0.665 1.00 0.00 H new ATOM 0 HG2 PRO A 97 14.756 3.386 0.961 1.00 0.00 H new ATOM 0 HG3 PRO A 97 16.323 4.162 0.843 1.00 0.00 H new ATOM 0 HD2 PRO A 97 14.758 3.917 -1.368 1.00 0.00 H new ATOM 0 HD3 PRO A 97 16.499 3.770 -1.503 1.00 0.00 H new ATOM 1395 N LYS A 98 13.391 0.580 -0.123 1.00 0.00 N ATOM 1396 CA LYS A 98 12.204 -0.225 0.198 1.00 0.00 C ATOM 1397 C LYS A 98 12.295 -1.648 -0.406 1.00 0.00 C ATOM 1398 O LYS A 98 12.447 -1.791 -1.617 1.00 0.00 O ATOM 1399 CB LYS A 98 10.954 0.549 -0.282 1.00 0.00 C ATOM 1400 CG LYS A 98 9.631 -0.190 -0.008 1.00 0.00 C ATOM 1401 CD LYS A 98 9.071 -0.932 -1.233 1.00 0.00 C ATOM 1402 CE LYS A 98 7.928 -1.895 -0.846 1.00 0.00 C ATOM 1403 NZ LYS A 98 6.615 -1.508 -1.449 1.00 0.00 N ATOM 0 H LYS A 98 13.178 1.427 -0.651 1.00 0.00 H new ATOM 0 HA LYS A 98 12.136 -0.377 1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 98 10.927 1.521 0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 98 11.041 0.737 -1.352 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.786 -0.906 0.800 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.889 0.529 0.341 1.00 0.00 H new ATOM 0 HD2 LYS A 98 8.705 -0.208 -1.961 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.871 -1.493 -1.716 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.186 -2.905 -1.166 1.00 0.00 H new ATOM 0 HE3 LYS A 98 7.831 -1.919 0.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 5.841 -1.868 -0.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 6.552 -0.472 -1.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 6.538 -1.915 -2.403 1.00 0.00 H new ATOM 1417 N GLN A 99 12.112 -2.692 0.413 1.00 0.00 N ATOM 1418 CA GLN A 99 12.067 -4.107 -0.010 1.00 0.00 C ATOM 1419 C GLN A 99 10.649 -4.702 0.175 1.00 0.00 C ATOM 1420 O GLN A 99 9.886 -4.170 0.984 1.00 0.00 O ATOM 1421 CB GLN A 99 13.137 -4.904 0.769 1.00 0.00 C ATOM 1422 CG GLN A 99 12.899 -5.022 2.290 1.00 0.00 C ATOM 1423 CD GLN A 99 13.982 -5.826 3.022 1.00 0.00 C ATOM 1424 OE1 GLN A 99 14.945 -6.332 2.454 1.00 0.00 O ATOM 1425 NE2 GLN A 99 13.873 -5.977 4.328 1.00 0.00 N ATOM 0 H GLN A 99 11.987 -2.577 1.419 1.00 0.00 H new ATOM 0 HA GLN A 99 12.292 -4.174 -1.074 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.195 -5.908 0.349 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.107 -4.433 0.606 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.848 -4.022 2.720 1.00 0.00 H new ATOM 0 HG3 GLN A 99 11.931 -5.492 2.462 1.00 0.00 H new ATOM 0 HE21 GLN A 99 13.082 -5.567 4.825 1.00 0.00 H new ATOM 0 HE22 GLN A 99 14.580 -6.504 4.841 1.00 0.00 H new ATOM 1434 N PRO A 100 10.271 -5.784 -0.542 1.00 0.00 N ATOM 1435 CA PRO A 100 8.984 -6.463 -0.368 1.00 0.00 C ATOM 1436 C PRO A 100 8.985 -7.444 0.816 1.00 0.00 C ATOM 1437 O PRO A 100 10.038 -7.864 1.297 1.00 0.00 O ATOM 1438 CB PRO A 100 8.745 -7.202 -1.689 1.00 0.00 C ATOM 1439 CG PRO A 100 10.159 -7.563 -2.141 1.00 0.00 C ATOM 1440 CD PRO A 100 11.003 -6.385 -1.655 1.00 0.00 C ATOM 0 HA PRO A 100 8.195 -5.746 -0.138 1.00 0.00 H new ATOM 0 HB2 PRO A 100 8.127 -8.089 -1.549 1.00 0.00 H new ATOM 0 HB3 PRO A 100 8.237 -6.571 -2.418 1.00 0.00 H new ATOM 0 HG2 PRO A 100 10.492 -8.503 -1.702 1.00 0.00 H new ATOM 0 HG3 PRO A 100 10.217 -7.678 -3.223 1.00 0.00 H new ATOM 0 HD2 PRO A 100 11.990 -6.720 -1.335 1.00 0.00 H new ATOM 0 HD3 PRO A 100 11.156 -5.661 -2.455 1.00 0.00 H new ATOM 1448 N GLN A 101 7.773 -7.848 1.223 1.00 0.00 N ATOM 1449 CA GLN A 101 7.471 -8.936 2.175 1.00 0.00 C ATOM 1450 C GLN A 101 5.957 -9.229 2.237 1.00 0.00 C ATOM 1451 O GLN A 101 5.555 -10.388 2.306 1.00 0.00 O ATOM 1452 CB GLN A 101 8.047 -8.658 3.583 1.00 0.00 C ATOM 1453 CG GLN A 101 7.496 -7.397 4.273 1.00 0.00 C ATOM 1454 CD GLN A 101 8.224 -7.056 5.577 1.00 0.00 C ATOM 1455 OE1 GLN A 101 8.782 -5.978 5.738 1.00 0.00 O ATOM 1456 NE2 GLN A 101 8.244 -7.937 6.559 1.00 0.00 N ATOM 0 H GLN A 101 6.924 -7.400 0.878 1.00 0.00 H new ATOM 0 HA GLN A 101 7.968 -9.830 1.798 1.00 0.00 H new ATOM 0 HB2 GLN A 101 7.844 -9.520 4.219 1.00 0.00 H new ATOM 0 HB3 GLN A 101 9.130 -8.567 3.505 1.00 0.00 H new ATOM 0 HG2 GLN A 101 7.575 -6.552 3.589 1.00 0.00 H new ATOM 0 HG3 GLN A 101 6.436 -7.539 4.483 1.00 0.00 H new ATOM 0 HE21 GLN A 101 7.785 -8.840 6.443 1.00 0.00 H new ATOM 0 HE22 GLN A 101 8.719 -7.715 7.434 1.00 0.00 H new ATOM 1465 N TYR A 102 5.112 -8.187 2.167 1.00 0.00 N ATOM 1466 CA TYR A 102 3.638 -8.285 2.233 1.00 0.00 C ATOM 1467 C TYR A 102 2.954 -8.441 0.862 1.00 0.00 C ATOM 1468 O TYR A 102 1.726 -8.539 0.784 1.00 0.00 O ATOM 1469 CB TYR A 102 3.108 -7.053 2.994 1.00 0.00 C ATOM 1470 CG TYR A 102 3.311 -5.738 2.259 1.00 0.00 C ATOM 1471 CD1 TYR A 102 4.583 -5.134 2.233 1.00 0.00 C ATOM 1472 CD2 TYR A 102 2.251 -5.151 1.545 1.00 0.00 C ATOM 1473 CE1 TYR A 102 4.813 -3.991 1.450 1.00 0.00 C ATOM 1474 CE2 TYR A 102 2.462 -3.976 0.800 1.00 0.00 C ATOM 1475 CZ TYR A 102 3.750 -3.399 0.740 1.00 0.00 C ATOM 1476 OH TYR A 102 3.980 -2.283 -0.004 1.00 0.00 O ATOM 0 H TYR A 102 5.440 -7.227 2.060 1.00 0.00 H new ATOM 0 HA TYR A 102 3.387 -9.203 2.764 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.044 -7.189 3.188 1.00 0.00 H new ATOM 0 HB3 TYR A 102 3.604 -6.996 3.963 1.00 0.00 H new ATOM 0 HD1 TYR A 102 5.387 -5.553 2.819 1.00 0.00 H new ATOM 0 HD2 TYR A 102 1.271 -5.604 1.569 1.00 0.00 H new ATOM 0 HE1 TYR A 102 5.804 -3.566 1.392 1.00 0.00 H new ATOM 0 HE2 TYR A 102 1.639 -3.515 0.274 1.00 0.00 H new ATOM 0 HH TYR A 102 3.688 -1.491 0.495 1.00 0.00 H new ATOM 1486 N ILE A 103 3.738 -8.471 -0.223 1.00 0.00 N ATOM 1487 CA ILE A 103 3.273 -8.757 -1.589 1.00 0.00 C ATOM 1488 C ILE A 103 4.086 -9.941 -2.149 1.00 0.00 C ATOM 1489 O ILE A 103 5.315 -9.875 -2.211 1.00 0.00 O ATOM 1490 CB ILE A 103 3.402 -7.525 -2.528 1.00 0.00 C ATOM 1491 CG1 ILE A 103 3.228 -6.156 -1.825 1.00 0.00 C ATOM 1492 CG2 ILE A 103 2.382 -7.710 -3.666 1.00 0.00 C ATOM 1493 CD1 ILE A 103 3.250 -4.945 -2.769 1.00 0.00 C ATOM 0 H ILE A 103 4.741 -8.292 -0.175 1.00 0.00 H new ATOM 0 HA ILE A 103 2.213 -9.007 -1.545 1.00 0.00 H new ATOM 0 HB ILE A 103 4.423 -7.491 -2.907 1.00 0.00 H new ATOM 0 HG12 ILE A 103 2.283 -6.159 -1.281 1.00 0.00 H new ATOM 0 HG13 ILE A 103 4.021 -6.038 -1.086 1.00 0.00 H new ATOM 0 HG21 ILE A 103 2.441 -6.863 -4.349 1.00 0.00 H new ATOM 0 HG22 ILE A 103 2.604 -8.629 -4.208 1.00 0.00 H new ATOM 0 HG23 ILE A 103 1.377 -7.769 -3.248 1.00 0.00 H new ATOM 0 HD11 ILE A 103 3.121 -4.030 -2.190 1.00 0.00 H new ATOM 0 HD12 ILE A 103 4.204 -4.911 -3.295 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.440 -5.033 -3.493 1.00 0.00 H new ATOM 1505 N ILE A 104 3.410 -11.019 -2.547 1.00 0.00 N ATOM 1506 CA ILE A 104 3.994 -12.251 -3.126 1.00 0.00 C ATOM 1507 C ILE A 104 3.639 -12.369 -4.624 1.00 0.00 C ATOM 1508 O ILE A 104 2.583 -11.916 -5.055 1.00 0.00 O ATOM 1509 CB ILE A 104 3.508 -13.478 -2.308 1.00 0.00 C ATOM 1510 CG1 ILE A 104 3.800 -13.361 -0.790 1.00 0.00 C ATOM 1511 CG2 ILE A 104 4.080 -14.805 -2.843 1.00 0.00 C ATOM 1512 CD1 ILE A 104 5.280 -13.237 -0.403 1.00 0.00 C ATOM 0 H ILE A 104 2.394 -11.070 -2.476 1.00 0.00 H new ATOM 0 HA ILE A 104 5.082 -12.210 -3.065 1.00 0.00 H new ATOM 0 HB ILE A 104 2.426 -13.484 -2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 104 3.268 -12.492 -0.403 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.385 -14.237 -0.291 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.710 -15.632 -2.237 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.767 -14.945 -3.878 1.00 0.00 H new ATOM 0 HG23 ILE A 104 5.169 -14.778 -2.794 1.00 0.00 H new ATOM 0 HD11 ILE A 104 5.368 -13.162 0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 104 5.822 -14.117 -0.750 1.00 0.00 H new ATOM 0 HD13 ILE A 104 5.703 -12.345 -0.864 1.00 0.00 H new ATOM 1524 N SER A 105 4.493 -12.981 -5.444 1.00 0.00 N ATOM 1525 CA SER A 105 4.296 -13.155 -6.886 1.00 0.00 C ATOM 1526 C SER A 105 3.589 -14.487 -7.235 1.00 0.00 C ATOM 1527 O SER A 105 3.866 -15.535 -6.643 1.00 0.00 O ATOM 1528 CB SER A 105 5.663 -13.072 -7.592 1.00 0.00 C ATOM 1529 OG SER A 105 6.602 -14.011 -7.072 1.00 0.00 O ATOM 0 H SER A 105 5.370 -13.383 -5.114 1.00 0.00 H new ATOM 0 HA SER A 105 3.641 -12.357 -7.234 1.00 0.00 H new ATOM 0 HB2 SER A 105 5.529 -13.249 -8.659 1.00 0.00 H new ATOM 0 HB3 SER A 105 6.064 -12.064 -7.484 1.00 0.00 H new ATOM 0 HG SER A 105 7.452 -13.923 -7.551 1.00 0.00 H new ATOM 1535 N VAL A 106 2.692 -14.457 -8.230 1.00 0.00 N ATOM 1536 CA VAL A 106 2.012 -15.635 -8.817 1.00 0.00 C ATOM 1537 C VAL A 106 2.176 -15.607 -10.344 1.00 0.00 C ATOM 1538 O VAL A 106 1.506 -14.841 -11.040 1.00 0.00 O ATOM 1539 CB VAL A 106 0.510 -15.706 -8.421 1.00 0.00 C ATOM 1540 CG1 VAL A 106 -0.122 -17.019 -8.914 1.00 0.00 C ATOM 1541 CG2 VAL A 106 0.295 -15.591 -6.900 1.00 0.00 C ATOM 0 H VAL A 106 2.405 -13.582 -8.669 1.00 0.00 H new ATOM 0 HA VAL A 106 2.480 -16.534 -8.415 1.00 0.00 H new ATOM 0 HB VAL A 106 0.027 -14.854 -8.900 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.173 -17.048 -8.626 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.041 -17.076 -10.000 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.400 -17.865 -8.466 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.771 -15.646 -6.678 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.813 -16.407 -6.397 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.690 -14.638 -6.548 1.00 0.00 H new ATOM 1601 N GLY A 110 -0.409 -12.579 -11.605 1.00 0.00 N ATOM 1602 CA GLY A 110 -1.069 -12.144 -10.378 1.00 0.00 C ATOM 1603 C GLY A 110 -0.032 -11.809 -9.313 1.00 0.00 C ATOM 1604 O GLY A 110 0.982 -12.497 -9.203 1.00 0.00 O ATOM 0 HA2 GLY A 110 -1.689 -11.270 -10.580 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -1.733 -12.929 -10.016 1.00 0.00 H new ATOM 1608 N TYR A 111 -0.279 -10.794 -8.486 1.00 0.00 N ATOM 1609 CA TYR A 111 0.469 -10.610 -7.230 1.00 0.00 C ATOM 1610 C TYR A 111 -0.462 -10.626 -6.022 1.00 0.00 C ATOM 1611 O TYR A 111 -1.415 -9.861 -5.920 1.00 0.00 O ATOM 1612 CB TYR A 111 1.319 -9.338 -7.245 1.00 0.00 C ATOM 1613 CG TYR A 111 2.691 -9.504 -7.880 1.00 0.00 C ATOM 1614 CD1 TYR A 111 2.821 -9.870 -9.234 1.00 0.00 C ATOM 1615 CD2 TYR A 111 3.850 -9.336 -7.096 1.00 0.00 C ATOM 1616 CE1 TYR A 111 4.092 -10.099 -9.793 1.00 0.00 C ATOM 1617 CE2 TYR A 111 5.126 -9.534 -7.655 1.00 0.00 C ATOM 1618 CZ TYR A 111 5.252 -9.928 -9.005 1.00 0.00 C ATOM 1619 OH TYR A 111 6.489 -10.163 -9.528 1.00 0.00 O ATOM 0 H TYR A 111 -0.990 -10.083 -8.658 1.00 0.00 H new ATOM 0 HA TYR A 111 1.152 -11.455 -7.145 1.00 0.00 H new ATOM 0 HB2 TYR A 111 0.776 -8.560 -7.781 1.00 0.00 H new ATOM 0 HB3 TYR A 111 1.447 -8.989 -6.220 1.00 0.00 H new ATOM 0 HD1 TYR A 111 1.939 -9.976 -9.848 1.00 0.00 H new ATOM 0 HD2 TYR A 111 3.758 -9.053 -6.058 1.00 0.00 H new ATOM 0 HE1 TYR A 111 4.181 -10.406 -10.825 1.00 0.00 H new ATOM 0 HE2 TYR A 111 6.009 -9.385 -7.051 1.00 0.00 H new ATOM 0 HH TYR A 111 7.171 -9.994 -8.845 1.00 0.00 H new ATOM 1629 N LYS A 112 -0.162 -11.515 -5.089 1.00 0.00 N ATOM 1630 CA LYS A 112 -0.944 -11.744 -3.878 1.00 0.00 C ATOM 1631 C LYS A 112 -0.553 -10.743 -2.785 1.00 0.00 C ATOM 1632 O LYS A 112 0.600 -10.680 -2.360 1.00 0.00 O ATOM 1633 CB LYS A 112 -0.791 -13.206 -3.439 1.00 0.00 C ATOM 1634 CG LYS A 112 -1.756 -13.570 -2.295 1.00 0.00 C ATOM 1635 CD LYS A 112 -1.761 -15.071 -1.966 1.00 0.00 C ATOM 1636 CE LYS A 112 -0.402 -15.568 -1.444 1.00 0.00 C ATOM 1637 NZ LYS A 112 -0.461 -17.001 -1.037 1.00 0.00 N ATOM 0 H LYS A 112 0.658 -12.118 -5.153 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.002 -11.574 -4.079 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -0.975 -13.861 -4.290 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.235 -13.382 -3.117 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -1.480 -13.009 -1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -2.765 -13.260 -2.566 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -2.529 -15.273 -1.219 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -2.030 -15.634 -2.860 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.355 -15.440 -2.218 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -0.094 -14.960 -0.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 0.472 -17.302 -0.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -1.166 -17.118 -0.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.731 -17.583 -1.855 1.00 0.00 H new ATOM 1651 N LEU A 113 -1.533 -9.976 -2.326 1.00 0.00 N ATOM 1652 CA LEU A 113 -1.435 -8.989 -1.246 1.00 0.00 C ATOM 1653 C LEU A 113 -2.496 -9.351 -0.195 1.00 0.00 C ATOM 1654 O LEU A 113 -3.498 -9.986 -0.523 1.00 0.00 O ATOM 1655 CB LEU A 113 -1.625 -7.586 -1.881 1.00 0.00 C ATOM 1656 CG LEU A 113 -0.854 -6.413 -1.232 1.00 0.00 C ATOM 1657 CD1 LEU A 113 -0.911 -5.190 -2.160 1.00 0.00 C ATOM 1658 CD2 LEU A 113 -1.377 -6.001 0.150 1.00 0.00 C ATOM 0 H LEU A 113 -2.474 -10.025 -2.717 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.470 -8.984 -0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -1.332 -7.646 -2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.688 -7.346 -1.860 1.00 0.00 H new ATOM 0 HG LEU A 113 0.166 -6.769 -1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.368 -4.362 -1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -0.455 -5.439 -3.118 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -1.950 -4.900 -2.317 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.781 -5.173 0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.418 -5.690 0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -1.304 -6.847 0.834 1.00 0.00 H new ATOM 1670 N GLU A 114 -2.304 -8.958 1.061 1.00 0.00 N ATOM 1671 CA GLU A 114 -3.265 -9.229 2.138 1.00 0.00 C ATOM 1672 C GLU A 114 -3.350 -8.113 3.197 1.00 0.00 C ATOM 1673 O GLU A 114 -2.364 -7.426 3.483 1.00 0.00 O ATOM 1674 CB GLU A 114 -2.957 -10.591 2.787 1.00 0.00 C ATOM 1675 CG GLU A 114 -1.564 -10.703 3.428 1.00 0.00 C ATOM 1676 CD GLU A 114 -1.355 -12.098 4.033 1.00 0.00 C ATOM 1677 OE1 GLU A 114 -0.867 -13.008 3.321 1.00 0.00 O ATOM 1678 OE2 GLU A 114 -1.672 -12.298 5.231 1.00 0.00 O ATOM 0 H GLU A 114 -1.479 -8.442 1.366 1.00 0.00 H new ATOM 0 HA GLU A 114 -4.251 -9.259 1.675 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -3.709 -10.792 3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -3.056 -11.369 2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -0.797 -10.508 2.679 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -1.453 -9.945 4.203 1.00 0.00 H new ATOM 1685 N TYR A 115 -4.544 -7.980 3.792 1.00 0.00 N ATOM 1686 CA TYR A 115 -4.860 -7.119 4.944 1.00 0.00 C ATOM 1687 C TYR A 115 -6.021 -7.711 5.773 1.00 0.00 C ATOM 1688 O TYR A 115 -5.798 -8.034 6.963 1.00 0.00 O ATOM 1689 CB TYR A 115 -5.159 -5.682 4.481 1.00 0.00 C ATOM 1690 CG TYR A 115 -5.401 -4.716 5.629 1.00 0.00 C ATOM 1691 CD1 TYR A 115 -4.324 -4.017 6.207 1.00 0.00 C ATOM 1692 CD2 TYR A 115 -6.700 -4.540 6.143 1.00 0.00 C ATOM 1693 CE1 TYR A 115 -4.542 -3.153 7.300 1.00 0.00 C ATOM 1694 CE2 TYR A 115 -6.924 -3.686 7.239 1.00 0.00 C ATOM 1695 CZ TYR A 115 -5.845 -2.990 7.823 1.00 0.00 C ATOM 1696 OH TYR A 115 -6.068 -2.173 8.891 1.00 0.00 O ATOM 1697 OXT TYR A 115 -7.137 -7.891 5.227 1.00 0.00 O ATOM 0 H TYR A 115 -5.360 -8.498 3.466 1.00 0.00 H new ATOM 0 HA TYR A 115 -3.987 -7.078 5.596 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -4.324 -5.320 3.881 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -6.036 -5.692 3.833 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -3.327 -4.143 5.812 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.530 -5.064 5.693 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -3.713 -2.616 7.737 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -7.922 -3.564 7.633 1.00 0.00 H new ATOM 0 HH TYR A 115 -7.022 -2.180 9.115 1.00 0.00 H new