USER MOD reduce.3.24.130724 H: found=0, std=0, add=784, rem=0, adj=24 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 79 ASN : amide:sc= 0.604 K(o=1.3,f=-1.9) USER MOD Set 1.2: A 80 LYS NZ :NH3+ 169:sc= 0.666 (180deg=0) USER MOD Set 2.1: A 78 SER OG : rot -99:sc= 0.64 USER MOD Set 2.2: A 81 SER OG : rot -45:sc= 1.31 USER MOD Set 3.1: A 35 MET CE :methyl -160:sc= -0.578 (180deg=-1.75) USER MOD Set 3.2: A 38 LYS NZ :NH3+ -169:sc= 1.72 (180deg=1.6) 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 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 37:sc= 0.492 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 166:sc= 1.03 (180deg=0.901) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 71:sc= 0.0122 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 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= 0.00349 USER MOD Single : A 91 SER OG : rot 74:sc= 0.353 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0.096) USER MOD Single : A 98 LYS NZ :NH3+ -168:sc= 1.11 (180deg=0.974) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 107:sc= 1.1 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 -3.080 13.701 0.344 1.00 0.00 N ATOM 106 CA GLY A 19 -4.319 13.186 0.947 1.00 0.00 C ATOM 107 C GLY A 19 -4.170 11.730 1.381 1.00 0.00 C ATOM 108 O GLY A 19 -3.148 11.100 1.107 1.00 0.00 O ATOM 0 HA2 GLY A 19 -4.586 13.798 1.809 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.136 13.271 0.230 1.00 0.00 H new ATOM 112 N ASP A 20 -5.185 11.156 2.025 1.00 0.00 N ATOM 113 CA ASP A 20 -5.117 9.798 2.567 1.00 0.00 C ATOM 114 C ASP A 20 -6.482 9.140 2.835 1.00 0.00 C ATOM 115 O ASP A 20 -7.515 9.812 2.903 1.00 0.00 O ATOM 116 CB ASP A 20 -4.265 9.806 3.847 1.00 0.00 C ATOM 117 CG ASP A 20 -4.901 10.587 5.011 1.00 0.00 C ATOM 118 OD1 ASP A 20 -5.689 9.985 5.780 1.00 0.00 O ATOM 119 OD2 ASP A 20 -4.575 11.785 5.189 1.00 0.00 O ATOM 0 H ASP A 20 -6.079 11.619 2.186 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.656 9.184 1.794 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.092 8.777 4.163 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.290 10.239 3.621 1.00 0.00 H new ATOM 124 N ALA A 21 -6.454 7.815 3.021 1.00 0.00 N ATOM 125 CA ALA A 21 -7.587 6.985 3.426 1.00 0.00 C ATOM 126 C ALA A 21 -7.104 5.706 4.139 1.00 0.00 C ATOM 127 O ALA A 21 -6.409 4.874 3.555 1.00 0.00 O ATOM 128 CB ALA A 21 -8.441 6.659 2.189 1.00 0.00 C ATOM 0 H ALA A 21 -5.602 7.271 2.886 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.202 7.532 4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.288 6.040 2.485 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.806 7.585 1.744 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.835 6.121 1.460 1.00 0.00 H new ATOM 134 N ASN A 22 -7.503 5.535 5.404 1.00 0.00 N ATOM 135 CA ASN A 22 -7.298 4.332 6.223 1.00 0.00 C ATOM 136 C ASN A 22 -5.831 3.829 6.252 1.00 0.00 C ATOM 137 O ASN A 22 -5.030 4.306 7.058 1.00 0.00 O ATOM 138 CB ASN A 22 -8.324 3.248 5.823 1.00 0.00 C ATOM 139 CG ASN A 22 -9.762 3.696 6.071 1.00 0.00 C ATOM 140 OD1 ASN A 22 -10.225 3.764 7.204 1.00 0.00 O ATOM 141 ND2 ASN A 22 -10.508 4.026 5.029 1.00 0.00 N ATOM 0 H ASN A 22 -8.002 6.266 5.910 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.484 4.602 7.263 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.198 3.003 4.768 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.126 2.337 6.388 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.469 4.337 5.168 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.122 3.969 4.087 1.00 0.00 H new ATOM 148 N ILE A 23 -5.484 2.843 5.411 1.00 0.00 N ATOM 149 CA ILE A 23 -4.183 2.131 5.402 1.00 0.00 C ATOM 150 C ILE A 23 -3.167 2.774 4.424 1.00 0.00 C ATOM 151 O ILE A 23 -1.982 2.438 4.455 1.00 0.00 O ATOM 152 CB ILE A 23 -4.472 0.621 5.138 1.00 0.00 C ATOM 153 CG1 ILE A 23 -5.304 0.028 6.308 1.00 0.00 C ATOM 154 CG2 ILE A 23 -3.199 -0.230 4.945 1.00 0.00 C ATOM 155 CD1 ILE A 23 -5.862 -1.379 6.048 1.00 0.00 C ATOM 0 H ILE A 23 -6.120 2.502 4.690 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.688 2.220 6.369 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.029 0.580 4.202 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.680 -0.002 7.201 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.135 0.700 6.523 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.479 -1.268 4.766 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.636 0.146 4.091 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.582 -0.170 5.841 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.428 -1.712 6.918 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.516 -1.356 5.176 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.038 -2.069 5.865 1.00 0.00 H new ATOM 167 N PHE A 24 -3.598 3.711 3.569 1.00 0.00 N ATOM 168 CA PHE A 24 -2.813 4.239 2.453 1.00 0.00 C ATOM 169 C PHE A 24 -2.977 5.760 2.274 1.00 0.00 C ATOM 170 O PHE A 24 -3.943 6.368 2.737 1.00 0.00 O ATOM 171 CB PHE A 24 -3.178 3.435 1.192 1.00 0.00 C ATOM 172 CG PHE A 24 -4.654 3.422 0.826 1.00 0.00 C ATOM 173 CD1 PHE A 24 -5.552 2.573 1.502 1.00 0.00 C ATOM 174 CD2 PHE A 24 -5.136 4.271 -0.184 1.00 0.00 C ATOM 175 CE1 PHE A 24 -6.925 2.596 1.201 1.00 0.00 C ATOM 176 CE2 PHE A 24 -6.514 4.318 -0.464 1.00 0.00 C ATOM 177 CZ PHE A 24 -7.408 3.483 0.225 1.00 0.00 C ATOM 0 H PHE A 24 -4.525 4.131 3.639 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.751 4.113 2.661 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.617 3.839 0.350 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -2.847 2.406 1.331 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.182 1.898 2.259 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.449 4.887 -0.745 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.605 1.935 1.718 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -6.886 5.001 -1.214 1.00 0.00 H new ATOM 0 HZ PHE A 24 -8.465 3.523 0.005 1.00 0.00 H new ATOM 187 N ARG A 25 -2.002 6.384 1.603 1.00 0.00 N ATOM 188 CA ARG A 25 -1.891 7.835 1.395 1.00 0.00 C ATOM 189 C ARG A 25 -1.562 8.126 -0.070 1.00 0.00 C ATOM 190 O ARG A 25 -0.830 7.349 -0.671 1.00 0.00 O ATOM 191 CB ARG A 25 -0.772 8.436 2.271 1.00 0.00 C ATOM 192 CG ARG A 25 -0.856 8.085 3.769 1.00 0.00 C ATOM 193 CD ARG A 25 0.252 8.759 4.595 1.00 0.00 C ATOM 194 NE ARG A 25 0.222 10.233 4.495 1.00 0.00 N ATOM 195 CZ ARG A 25 -0.616 11.069 5.102 1.00 0.00 C ATOM 196 NH1 ARG A 25 -1.537 10.653 5.946 1.00 0.00 N ATOM 197 NH2 ARG A 25 -0.536 12.359 4.859 1.00 0.00 N ATOM 0 H ARG A 25 -1.234 5.870 1.171 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.845 8.284 1.669 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.190 8.097 1.888 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.793 9.521 2.166 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.829 8.389 4.156 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.788 7.004 3.890 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.148 8.468 5.640 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.223 8.396 4.258 1.00 0.00 H new ATOM 0 HE ARG A 25 0.925 10.659 3.891 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.626 9.658 6.154 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.161 11.325 6.392 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.165 12.713 4.209 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.175 13.006 5.321 1.00 0.00 H new ATOM 211 N VAL A 26 -2.038 9.241 -0.621 1.00 0.00 N ATOM 212 CA VAL A 26 -1.626 9.763 -1.941 1.00 0.00 C ATOM 213 C VAL A 26 -0.745 11.009 -1.785 1.00 0.00 C ATOM 214 O VAL A 26 -1.091 11.926 -1.043 1.00 0.00 O ATOM 215 CB VAL A 26 -2.836 10.037 -2.867 1.00 0.00 C ATOM 216 CG1 VAL A 26 -3.861 11.042 -2.311 1.00 0.00 C ATOM 217 CG2 VAL A 26 -2.387 10.501 -4.265 1.00 0.00 C ATOM 0 H VAL A 26 -2.736 9.825 -0.160 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.033 8.987 -2.425 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.341 9.073 -2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.672 11.170 -3.028 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.265 10.667 -1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.374 12.002 -2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.264 10.684 -4.887 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.808 11.420 -4.175 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.771 9.728 -4.724 1.00 0.00 H new ATOM 227 N ASP A 27 0.372 11.054 -2.514 1.00 0.00 N ATOM 228 CA ASP A 27 1.211 12.245 -2.677 1.00 0.00 C ATOM 229 C ASP A 27 1.036 12.830 -4.089 1.00 0.00 C ATOM 230 O ASP A 27 1.346 12.174 -5.085 1.00 0.00 O ATOM 231 CB ASP A 27 2.679 11.901 -2.398 1.00 0.00 C ATOM 232 CG ASP A 27 3.551 13.166 -2.459 1.00 0.00 C ATOM 233 OD1 ASP A 27 4.005 13.530 -3.570 1.00 0.00 O ATOM 234 OD2 ASP A 27 3.745 13.810 -1.400 1.00 0.00 O ATOM 0 H ASP A 27 0.728 10.243 -3.020 1.00 0.00 H new ATOM 0 HA ASP A 27 0.898 13.001 -1.957 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.769 11.437 -1.416 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.033 11.173 -3.128 1.00 0.00 H new ATOM 239 N LYS A 28 0.533 14.067 -4.176 1.00 0.00 N ATOM 240 CA LYS A 28 0.194 14.712 -5.456 1.00 0.00 C ATOM 241 C LYS A 28 1.397 15.370 -6.163 1.00 0.00 C ATOM 242 O LYS A 28 1.373 15.535 -7.385 1.00 0.00 O ATOM 243 CB LYS A 28 -0.905 15.765 -5.223 1.00 0.00 C ATOM 244 CG LYS A 28 -2.210 15.192 -4.645 1.00 0.00 C ATOM 245 CD LYS A 28 -3.305 16.270 -4.688 1.00 0.00 C ATOM 246 CE LYS A 28 -4.619 15.854 -4.006 1.00 0.00 C ATOM 247 NZ LYS A 28 -4.493 15.756 -2.524 1.00 0.00 N ATOM 0 H LYS A 28 0.348 14.652 -3.361 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.155 13.920 -6.118 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.524 16.528 -4.545 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.125 16.260 -6.169 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -2.522 14.319 -5.218 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.051 14.860 -3.619 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.929 17.174 -4.209 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.511 16.522 -5.728 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.396 16.577 -4.253 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.941 14.891 -4.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.407 15.473 -2.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.771 15.047 -2.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.213 16.680 -2.138 1.00 0.00 H new ATOM 261 N ASP A 29 2.436 15.757 -5.415 1.00 0.00 N ATOM 262 CA ASP A 29 3.608 16.480 -5.932 1.00 0.00 C ATOM 263 C ASP A 29 4.532 15.553 -6.733 1.00 0.00 C ATOM 264 O ASP A 29 4.869 15.833 -7.884 1.00 0.00 O ATOM 265 CB ASP A 29 4.370 17.112 -4.758 1.00 0.00 C ATOM 266 CG ASP A 29 5.581 17.940 -5.227 1.00 0.00 C ATOM 267 OD1 ASP A 29 5.415 18.833 -6.091 1.00 0.00 O ATOM 268 OD2 ASP A 29 6.703 17.708 -4.714 1.00 0.00 O ATOM 0 H ASP A 29 2.489 15.574 -4.413 1.00 0.00 H new ATOM 0 HA ASP A 29 3.264 17.261 -6.610 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.694 17.751 -4.190 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.709 16.327 -4.082 1.00 0.00 H new ATOM 273 N SER A 30 4.905 14.422 -6.137 1.00 0.00 N ATOM 274 CA SER A 30 5.704 13.373 -6.782 1.00 0.00 C ATOM 275 C SER A 30 4.843 12.346 -7.545 1.00 0.00 C ATOM 276 O SER A 30 5.377 11.614 -8.384 1.00 0.00 O ATOM 277 CB SER A 30 6.575 12.662 -5.736 1.00 0.00 C ATOM 278 OG SER A 30 7.517 13.554 -5.143 1.00 0.00 O ATOM 0 H SER A 30 4.657 14.201 -5.173 1.00 0.00 H new ATOM 0 HA SER A 30 6.337 13.863 -7.522 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.938 12.236 -4.960 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.104 11.833 -6.205 1.00 0.00 H new ATOM 0 HG SER A 30 8.054 13.070 -4.481 1.00 0.00 H new ATOM 284 N ARG A 31 3.524 12.289 -7.272 1.00 0.00 N ATOM 285 CA ARG A 31 2.505 11.493 -7.988 1.00 0.00 C ATOM 286 C ARG A 31 2.576 10.000 -7.588 1.00 0.00 C ATOM 287 O ARG A 31 2.712 9.111 -8.433 1.00 0.00 O ATOM 288 CB ARG A 31 2.598 11.777 -9.506 1.00 0.00 C ATOM 289 CG ARG A 31 1.252 11.711 -10.246 1.00 0.00 C ATOM 290 CD ARG A 31 1.447 12.230 -11.682 1.00 0.00 C ATOM 291 NE ARG A 31 0.176 12.544 -12.365 1.00 0.00 N ATOM 292 CZ ARG A 31 -0.547 13.653 -12.225 1.00 0.00 C ATOM 293 NH1 ARG A 31 -0.288 14.553 -11.299 1.00 0.00 N ATOM 294 NH2 ARG A 31 -1.555 13.881 -13.040 1.00 0.00 N ATOM 0 H ARG A 31 3.119 12.826 -6.505 1.00 0.00 H new ATOM 0 HA ARG A 31 1.503 11.799 -7.688 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.032 12.766 -9.653 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.283 11.059 -9.957 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.881 10.686 -10.263 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.506 12.312 -9.726 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.069 13.125 -11.657 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.988 11.482 -12.261 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.184 11.840 -13.009 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.491 14.413 -10.656 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.867 15.390 -11.225 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.779 13.210 -13.774 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.112 14.729 -12.937 1.00 0.00 H new ATOM 308 N GLU A 32 2.552 9.735 -6.276 1.00 0.00 N ATOM 309 CA GLU A 32 2.923 8.456 -5.636 1.00 0.00 C ATOM 310 C GLU A 32 1.857 7.984 -4.622 1.00 0.00 C ATOM 311 O GLU A 32 0.966 8.759 -4.269 1.00 0.00 O ATOM 312 CB GLU A 32 4.285 8.612 -4.923 1.00 0.00 C ATOM 313 CG GLU A 32 5.384 9.156 -5.849 1.00 0.00 C ATOM 314 CD GLU A 32 6.805 9.132 -5.251 1.00 0.00 C ATOM 315 OE1 GLU A 32 6.970 9.037 -4.014 1.00 0.00 O ATOM 316 OE2 GLU A 32 7.779 9.270 -6.030 1.00 0.00 O ATOM 0 H GLU A 32 2.260 10.436 -5.595 1.00 0.00 H new ATOM 0 HA GLU A 32 2.991 7.700 -6.419 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.169 9.282 -4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.596 7.645 -4.527 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.383 8.574 -6.771 1.00 0.00 H new ATOM 0 HG3 GLU A 32 5.136 10.182 -6.119 1.00 0.00 H new ATOM 323 N VAL A 33 1.953 6.735 -4.136 1.00 0.00 N ATOM 324 CA VAL A 33 1.035 6.157 -3.122 1.00 0.00 C ATOM 325 C VAL A 33 1.802 5.432 -2.007 1.00 0.00 C ATOM 326 O VAL A 33 2.639 4.575 -2.270 1.00 0.00 O ATOM 327 CB VAL A 33 -0.047 5.250 -3.770 1.00 0.00 C ATOM 328 CG1 VAL A 33 0.513 4.015 -4.501 1.00 0.00 C ATOM 329 CG2 VAL A 33 -1.131 4.787 -2.779 1.00 0.00 C ATOM 0 H VAL A 33 2.678 6.084 -4.436 1.00 0.00 H new ATOM 0 HA VAL A 33 0.509 6.990 -2.655 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.498 5.907 -4.513 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.310 3.438 -4.923 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.179 4.337 -5.302 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.067 3.395 -3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.854 4.158 -3.298 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.668 4.218 -1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.640 5.657 -2.364 1.00 0.00 H new ATOM 339 N TYR A 34 1.546 5.778 -0.743 1.00 0.00 N ATOM 340 CA TYR A 34 2.262 5.222 0.413 1.00 0.00 C ATOM 341 C TYR A 34 1.328 4.293 1.195 1.00 0.00 C ATOM 342 O TYR A 34 0.302 4.736 1.705 1.00 0.00 O ATOM 343 CB TYR A 34 2.806 6.334 1.336 1.00 0.00 C ATOM 344 CG TYR A 34 3.601 7.496 0.744 1.00 0.00 C ATOM 345 CD1 TYR A 34 4.150 7.468 -0.555 1.00 0.00 C ATOM 346 CD2 TYR A 34 3.805 8.636 1.546 1.00 0.00 C ATOM 347 CE1 TYR A 34 4.847 8.581 -1.060 1.00 0.00 C ATOM 348 CE2 TYR A 34 4.510 9.751 1.052 1.00 0.00 C ATOM 349 CZ TYR A 34 5.030 9.730 -0.261 1.00 0.00 C ATOM 350 OH TYR A 34 5.720 10.797 -0.753 1.00 0.00 O ATOM 0 H TYR A 34 0.830 6.458 -0.488 1.00 0.00 H new ATOM 0 HA TYR A 34 3.118 4.657 0.044 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.955 6.760 1.866 1.00 0.00 H new ATOM 0 HB3 TYR A 34 3.439 5.855 2.083 1.00 0.00 H new ATOM 0 HD1 TYR A 34 4.034 6.585 -1.167 1.00 0.00 H new ATOM 0 HD2 TYR A 34 3.416 8.655 2.553 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.244 8.556 -2.064 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.653 10.621 1.676 1.00 0.00 H new ATOM 0 HH TYR A 34 5.754 11.505 -0.076 1.00 0.00 H new ATOM 360 N MET A 35 1.672 3.012 1.302 1.00 0.00 N ATOM 361 CA MET A 35 1.004 2.030 2.155 1.00 0.00 C ATOM 362 C MET A 35 1.636 2.044 3.551 1.00 0.00 C ATOM 363 O MET A 35 2.819 2.349 3.694 1.00 0.00 O ATOM 364 CB MET A 35 1.155 0.663 1.470 1.00 0.00 C ATOM 365 CG MET A 35 0.319 -0.467 2.087 1.00 0.00 C ATOM 366 SD MET A 35 0.594 -2.109 1.371 1.00 0.00 S ATOM 367 CE MET A 35 0.444 -1.743 -0.397 1.00 0.00 C ATOM 0 H MET A 35 2.452 2.614 0.778 1.00 0.00 H new ATOM 0 HA MET A 35 -0.054 2.259 2.284 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.880 0.767 0.420 1.00 0.00 H new ATOM 0 HB3 MET A 35 2.206 0.374 1.497 1.00 0.00 H new ATOM 0 HG2 MET A 35 0.532 -0.514 3.155 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.736 -0.215 1.983 1.00 0.00 H new ATOM 0 HE1 MET A 35 0.233 -2.663 -0.942 1.00 0.00 H new ATOM 0 HE2 MET A 35 -0.369 -1.034 -0.554 1.00 0.00 H new ATOM 0 HE3 MET A 35 1.377 -1.312 -0.760 1.00 0.00 H new ATOM 377 N HIS A 36 0.895 1.607 4.569 1.00 0.00 N ATOM 378 CA HIS A 36 1.393 1.443 5.946 1.00 0.00 C ATOM 379 C HIS A 36 2.699 0.608 6.063 1.00 0.00 C ATOM 380 O HIS A 36 3.485 0.809 6.991 1.00 0.00 O ATOM 381 CB HIS A 36 0.252 0.829 6.770 1.00 0.00 C ATOM 382 CG HIS A 36 0.567 0.695 8.237 1.00 0.00 C ATOM 383 ND1 HIS A 36 0.693 1.755 9.138 1.00 0.00 N ATOM 384 CD2 HIS A 36 0.781 -0.479 8.899 1.00 0.00 C ATOM 385 CE1 HIS A 36 0.981 1.188 10.323 1.00 0.00 C ATOM 386 NE2 HIS A 36 1.039 -0.151 10.211 1.00 0.00 N ATOM 0 H HIS A 36 -0.087 1.351 4.464 1.00 0.00 H new ATOM 0 HA HIS A 36 1.679 2.423 6.329 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -0.640 1.445 6.654 1.00 0.00 H new ATOM 0 HB3 HIS A 36 0.014 -0.156 6.367 1.00 0.00 H new ATOM 0 HD2 HIS A 36 0.753 -1.472 8.476 1.00 0.00 H new ATOM 0 HE1 HIS A 36 1.144 1.734 11.240 1.00 0.00 H new ATOM 0 HE2 HIS A 36 1.239 -0.808 10.965 1.00 0.00 H new ATOM 394 N GLU A 37 2.946 -0.300 5.106 1.00 0.00 N ATOM 395 CA GLU A 37 4.174 -1.104 5.017 1.00 0.00 C ATOM 396 C GLU A 37 5.294 -0.427 4.208 1.00 0.00 C ATOM 397 O GLU A 37 6.465 -0.714 4.459 1.00 0.00 O ATOM 398 CB GLU A 37 3.875 -2.462 4.348 1.00 0.00 C ATOM 399 CG GLU A 37 2.809 -3.296 5.066 1.00 0.00 C ATOM 400 CD GLU A 37 2.679 -4.695 4.442 1.00 0.00 C ATOM 401 OE1 GLU A 37 3.051 -4.875 3.255 1.00 0.00 O ATOM 402 OE2 GLU A 37 2.198 -5.610 5.150 1.00 0.00 O ATOM 0 H GLU A 37 2.283 -0.500 4.357 1.00 0.00 H new ATOM 0 HA GLU A 37 4.518 -1.226 6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.552 -2.285 3.322 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.798 -3.040 4.296 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.067 -3.389 6.121 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.849 -2.783 5.016 1.00 0.00 H new ATOM 409 N LYS A 38 4.974 0.407 3.201 1.00 0.00 N ATOM 410 CA LYS A 38 5.900 0.737 2.097 1.00 0.00 C ATOM 411 C LYS A 38 5.460 1.848 1.125 1.00 0.00 C ATOM 412 O LYS A 38 4.281 2.005 0.816 1.00 0.00 O ATOM 413 CB LYS A 38 6.267 -0.558 1.330 1.00 0.00 C ATOM 414 CG LYS A 38 5.103 -1.329 0.682 1.00 0.00 C ATOM 415 CD LYS A 38 5.524 -2.802 0.521 1.00 0.00 C ATOM 416 CE LYS A 38 4.474 -3.695 -0.162 1.00 0.00 C ATOM 417 NZ LYS A 38 3.254 -3.923 0.678 1.00 0.00 N ATOM 0 H LYS A 38 4.069 0.871 3.128 1.00 0.00 H new ATOM 0 HA LYS A 38 6.771 1.173 2.586 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.982 -0.300 0.548 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.778 -1.229 2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.209 -1.256 1.301 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.856 -0.897 -0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.447 -2.842 -0.057 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.746 -3.213 1.506 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.177 -3.238 -1.106 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.926 -4.657 -0.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.673 -4.673 0.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.541 -4.211 1.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.700 -3.044 0.732 1.00 0.00 H new ATOM 431 N LYS A 39 6.437 2.573 0.564 1.00 0.00 N ATOM 432 CA LYS A 39 6.230 3.589 -0.485 1.00 0.00 C ATOM 433 C LYS A 39 6.223 2.955 -1.895 1.00 0.00 C ATOM 434 O LYS A 39 7.090 2.137 -2.208 1.00 0.00 O ATOM 435 CB LYS A 39 7.306 4.678 -0.304 1.00 0.00 C ATOM 436 CG LYS A 39 7.288 5.758 -1.402 1.00 0.00 C ATOM 437 CD LYS A 39 7.969 7.064 -0.965 1.00 0.00 C ATOM 438 CE LYS A 39 9.416 6.857 -0.495 1.00 0.00 C ATOM 439 NZ LYS A 39 10.099 8.153 -0.228 1.00 0.00 N ATOM 0 H LYS A 39 7.416 2.470 0.831 1.00 0.00 H new ATOM 0 HA LYS A 39 5.248 4.051 -0.387 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.166 5.156 0.665 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.288 4.206 -0.288 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.787 5.373 -2.291 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.256 5.968 -1.682 1.00 0.00 H new ATOM 0 HD2 LYS A 39 7.960 7.768 -1.797 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.392 7.516 -0.158 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.421 6.250 0.410 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.969 6.303 -1.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.074 7.973 0.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 10.116 8.722 -1.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.585 8.670 0.514 1.00 0.00 H new ATOM 453 N LEU A 40 5.234 3.320 -2.722 1.00 0.00 N ATOM 454 CA LEU A 40 5.008 2.826 -4.090 1.00 0.00 C ATOM 455 C LEU A 40 4.700 4.006 -5.019 1.00 0.00 C ATOM 456 O LEU A 40 4.092 4.998 -4.620 1.00 0.00 O ATOM 457 CB LEU A 40 3.848 1.807 -4.075 1.00 0.00 C ATOM 458 CG LEU A 40 4.243 0.462 -3.432 1.00 0.00 C ATOM 459 CD1 LEU A 40 3.013 -0.247 -2.856 1.00 0.00 C ATOM 460 CD2 LEU A 40 4.958 -0.451 -4.437 1.00 0.00 C ATOM 0 H LEU A 40 4.532 4.004 -2.441 1.00 0.00 H new ATOM 0 HA LEU A 40 5.902 2.327 -4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.005 2.231 -3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.511 1.631 -5.097 1.00 0.00 H new ATOM 0 HG LEU A 40 4.936 0.679 -2.619 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.315 -1.193 -2.408 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.552 0.384 -2.096 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.295 -0.437 -3.654 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.222 -1.390 -3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.297 -0.652 -5.280 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.863 0.040 -4.795 1.00 0.00 H new ATOM 472 N ASP A 41 5.144 3.924 -6.268 1.00 0.00 N ATOM 473 CA ASP A 41 5.419 5.135 -7.054 1.00 0.00 C ATOM 474 C ASP A 41 5.566 4.869 -8.566 1.00 0.00 C ATOM 475 O ASP A 41 6.615 5.097 -9.171 1.00 0.00 O ATOM 476 CB ASP A 41 6.591 5.933 -6.436 1.00 0.00 C ATOM 477 CG ASP A 41 7.929 5.188 -6.248 1.00 0.00 C ATOM 478 OD1 ASP A 41 7.957 4.134 -5.566 1.00 0.00 O ATOM 479 OD2 ASP A 41 8.971 5.719 -6.699 1.00 0.00 O ATOM 0 H ASP A 41 5.321 3.047 -6.759 1.00 0.00 H new ATOM 0 HA ASP A 41 4.536 5.772 -6.993 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.775 6.804 -7.064 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.271 6.304 -5.462 1.00 0.00 H new ATOM 484 N LEU A 42 4.479 4.377 -9.174 1.00 0.00 N ATOM 485 CA LEU A 42 4.316 4.225 -10.630 1.00 0.00 C ATOM 486 C LEU A 42 3.830 5.562 -11.229 1.00 0.00 C ATOM 487 O LEU A 42 4.603 6.519 -11.334 1.00 0.00 O ATOM 488 CB LEU A 42 3.386 3.009 -10.914 1.00 0.00 C ATOM 489 CG LEU A 42 4.059 1.628 -11.003 1.00 0.00 C ATOM 490 CD1 LEU A 42 5.216 1.473 -9.997 1.00 0.00 C ATOM 491 CD2 LEU A 42 3.110 0.456 -10.718 1.00 0.00 C ATOM 0 H LEU A 42 3.661 4.063 -8.651 1.00 0.00 H new ATOM 0 HA LEU A 42 5.262 4.003 -11.123 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.630 2.969 -10.130 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.863 3.193 -11.852 1.00 0.00 H new ATOM 0 HG LEU A 42 4.410 1.590 -12.034 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.657 0.482 -10.100 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.974 2.230 -10.195 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.836 1.597 -8.983 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.657 -0.483 -10.800 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.704 0.553 -9.711 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.294 0.465 -11.441 1.00 0.00 H new ATOM 503 N THR A 43 2.550 5.615 -11.617 1.00 0.00 N ATOM 504 CA THR A 43 1.860 6.732 -12.283 1.00 0.00 C ATOM 505 C THR A 43 0.404 6.697 -11.827 1.00 0.00 C ATOM 506 O THR A 43 -0.037 5.700 -11.260 1.00 0.00 O ATOM 507 CB THR A 43 2.011 6.617 -13.818 1.00 0.00 C ATOM 508 OG1 THR A 43 3.369 6.432 -14.165 1.00 0.00 O ATOM 509 CG2 THR A 43 1.525 7.842 -14.601 1.00 0.00 C ATOM 0 H THR A 43 1.924 4.825 -11.464 1.00 0.00 H new ATOM 0 HA THR A 43 2.296 7.694 -12.012 1.00 0.00 H new ATOM 0 HB THR A 43 1.386 5.766 -14.089 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.451 6.359 -15.139 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.669 7.673 -15.668 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.466 8.006 -14.400 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.093 8.720 -14.293 1.00 0.00 H new ATOM 517 N ARG A 44 -0.348 7.777 -12.055 1.00 0.00 N ATOM 518 CA ARG A 44 -1.679 8.010 -11.471 1.00 0.00 C ATOM 519 C ARG A 44 -2.644 6.823 -11.614 1.00 0.00 C ATOM 520 O ARG A 44 -3.354 6.493 -10.668 1.00 0.00 O ATOM 521 CB ARG A 44 -2.286 9.266 -12.113 1.00 0.00 C ATOM 522 CG ARG A 44 -3.447 9.838 -11.280 1.00 0.00 C ATOM 523 CD ARG A 44 -4.040 11.096 -11.925 1.00 0.00 C ATOM 524 NE ARG A 44 -5.055 11.714 -11.052 1.00 0.00 N ATOM 525 CZ ARG A 44 -5.765 12.807 -11.317 1.00 0.00 C ATOM 526 NH1 ARG A 44 -5.666 13.447 -12.464 1.00 0.00 N ATOM 527 NH2 ARG A 44 -6.597 13.279 -10.413 1.00 0.00 N ATOM 0 H ARG A 44 -0.044 8.535 -12.666 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.538 8.143 -10.398 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.512 10.025 -12.225 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.643 9.025 -13.114 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.225 9.082 -11.173 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.093 10.075 -10.277 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.245 11.814 -12.127 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.489 10.839 -12.884 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.230 11.258 -10.156 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.029 13.107 -13.184 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -6.227 14.282 -12.632 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.695 12.807 -9.514 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.144 14.117 -10.611 1.00 0.00 H new ATOM 541 N ALA A 45 -2.649 6.152 -12.768 1.00 0.00 N ATOM 542 CA ALA A 45 -3.502 4.990 -13.005 1.00 0.00 C ATOM 543 C ALA A 45 -3.094 3.789 -12.131 1.00 0.00 C ATOM 544 O ALA A 45 -3.969 3.163 -11.531 1.00 0.00 O ATOM 545 CB ALA A 45 -3.476 4.675 -14.505 1.00 0.00 C ATOM 0 H ALA A 45 -2.061 6.401 -13.563 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.527 5.215 -12.710 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.107 3.809 -14.706 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.849 5.533 -15.064 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.453 4.458 -14.814 1.00 0.00 H new ATOM 551 N GLU A 46 -1.794 3.508 -11.975 1.00 0.00 N ATOM 552 CA GLU A 46 -1.287 2.393 -11.189 1.00 0.00 C ATOM 553 C GLU A 46 -1.511 2.631 -9.691 1.00 0.00 C ATOM 554 O GLU A 46 -1.966 1.753 -8.956 1.00 0.00 O ATOM 555 CB GLU A 46 0.193 2.278 -11.507 1.00 0.00 C ATOM 556 CG GLU A 46 0.440 1.638 -12.878 1.00 0.00 C ATOM 557 CD GLU A 46 -0.200 2.376 -14.067 1.00 0.00 C ATOM 558 OE1 GLU A 46 0.272 3.489 -14.393 1.00 0.00 O ATOM 559 OE2 GLU A 46 -1.178 1.859 -14.656 1.00 0.00 O ATOM 0 H GLU A 46 -1.055 4.066 -12.404 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.811 1.470 -11.437 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.647 3.269 -11.483 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.684 1.684 -10.736 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.515 1.577 -13.045 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.062 0.616 -12.858 1.00 0.00 H new ATOM 566 N TYR A 47 -1.278 3.876 -9.275 1.00 0.00 N ATOM 567 CA TYR A 47 -1.797 4.413 -8.008 1.00 0.00 C ATOM 568 C TYR A 47 -3.295 4.114 -7.829 1.00 0.00 C ATOM 569 O TYR A 47 -3.653 3.523 -6.810 1.00 0.00 O ATOM 570 CB TYR A 47 -1.484 5.920 -7.861 1.00 0.00 C ATOM 571 CG TYR A 47 -2.511 6.754 -7.088 1.00 0.00 C ATOM 572 CD1 TYR A 47 -2.969 6.352 -5.815 1.00 0.00 C ATOM 573 CD2 TYR A 47 -3.061 7.914 -7.670 1.00 0.00 C ATOM 574 CE1 TYR A 47 -3.963 7.083 -5.140 1.00 0.00 C ATOM 575 CE2 TYR A 47 -4.064 8.647 -7.009 1.00 0.00 C ATOM 576 CZ TYR A 47 -4.527 8.228 -5.742 1.00 0.00 C ATOM 577 OH TYR A 47 -5.515 8.927 -5.113 1.00 0.00 O ATOM 0 H TYR A 47 -0.722 4.546 -9.806 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.277 3.897 -7.201 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.518 6.022 -7.366 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.378 6.346 -8.859 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.550 5.470 -5.353 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -2.708 8.245 -8.636 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -4.294 6.768 -4.162 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.480 9.530 -7.471 1.00 0.00 H new ATOM 0 HH TYR A 47 -5.785 9.686 -5.671 1.00 0.00 H new ATOM 587 N GLU A 48 -4.155 4.482 -8.784 1.00 0.00 N ATOM 588 CA GLU A 48 -5.603 4.270 -8.681 1.00 0.00 C ATOM 589 C GLU A 48 -5.936 2.798 -8.405 1.00 0.00 C ATOM 590 O GLU A 48 -6.739 2.507 -7.518 1.00 0.00 O ATOM 591 CB GLU A 48 -6.325 4.727 -9.962 1.00 0.00 C ATOM 592 CG GLU A 48 -7.801 5.040 -9.700 1.00 0.00 C ATOM 593 CD GLU A 48 -7.986 6.385 -8.981 1.00 0.00 C ATOM 594 OE1 GLU A 48 -7.894 7.446 -9.644 1.00 0.00 O ATOM 595 OE2 GLU A 48 -8.257 6.395 -7.756 1.00 0.00 O ATOM 0 H GLU A 48 -3.867 4.936 -9.651 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.953 4.872 -7.842 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.831 5.612 -10.362 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.247 3.948 -10.721 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.341 5.058 -10.647 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -8.239 4.244 -9.098 1.00 0.00 H new ATOM 602 N ILE A 49 -5.282 1.863 -9.109 1.00 0.00 N ATOM 603 CA ILE A 49 -5.510 0.421 -8.875 1.00 0.00 C ATOM 604 C ILE A 49 -5.081 0.006 -7.474 1.00 0.00 C ATOM 605 O ILE A 49 -5.847 -0.671 -6.795 1.00 0.00 O ATOM 606 CB ILE A 49 -4.814 -0.533 -9.880 1.00 0.00 C ATOM 607 CG1 ILE A 49 -4.200 0.169 -11.085 1.00 0.00 C ATOM 608 CG2 ILE A 49 -5.766 -1.655 -10.317 1.00 0.00 C ATOM 609 CD1 ILE A 49 -3.366 -0.747 -11.974 1.00 0.00 C ATOM 0 H ILE A 49 -4.598 2.070 -9.837 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.586 0.315 -9.013 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.973 -0.969 -9.340 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.998 0.610 -11.682 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.573 0.989 -10.735 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.256 -2.311 -11.022 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.075 -2.230 -9.444 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.644 -1.221 -10.796 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.963 -0.175 -12.810 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.545 -1.169 -11.394 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.993 -1.553 -12.355 1.00 0.00 H new ATOM 621 N LEU A 50 -3.864 0.365 -7.051 1.00 0.00 N ATOM 622 CA LEU A 50 -3.312 -0.109 -5.777 1.00 0.00 C ATOM 623 C LEU A 50 -4.032 0.544 -4.580 1.00 0.00 C ATOM 624 O LEU A 50 -4.344 -0.118 -3.596 1.00 0.00 O ATOM 625 CB LEU A 50 -1.787 0.127 -5.822 1.00 0.00 C ATOM 626 CG LEU A 50 -0.967 -0.951 -5.088 1.00 0.00 C ATOM 627 CD1 LEU A 50 0.456 -0.986 -5.665 1.00 0.00 C ATOM 628 CD2 LEU A 50 -0.900 -0.711 -3.577 1.00 0.00 C ATOM 0 H LEU A 50 -3.242 0.983 -7.573 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.484 -1.176 -5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.466 0.168 -6.863 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.567 1.100 -5.382 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.469 -1.906 -5.242 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.040 -1.748 -5.148 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.412 -1.222 -6.728 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.928 -0.013 -5.529 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.311 -1.500 -3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.434 0.255 -3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.908 -0.717 -3.163 1.00 0.00 H new ATOM 640 N SER A 51 -4.404 1.815 -4.704 1.00 0.00 N ATOM 641 CA SER A 51 -5.357 2.508 -3.822 1.00 0.00 C ATOM 642 C SER A 51 -6.676 1.736 -3.669 1.00 0.00 C ATOM 643 O SER A 51 -7.055 1.389 -2.544 1.00 0.00 O ATOM 644 CB SER A 51 -5.602 3.907 -4.406 1.00 0.00 C ATOM 645 OG SER A 51 -6.590 4.622 -3.684 1.00 0.00 O ATOM 0 H SER A 51 -4.042 2.417 -5.444 1.00 0.00 H new ATOM 0 HA SER A 51 -4.935 2.579 -2.820 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.669 4.471 -4.398 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.910 3.815 -5.447 1.00 0.00 H new ATOM 0 HG SER A 51 -6.507 4.421 -2.729 1.00 0.00 H new ATOM 651 N LEU A 52 -7.342 1.385 -4.780 1.00 0.00 N ATOM 652 CA LEU A 52 -8.548 0.560 -4.726 1.00 0.00 C ATOM 653 C LEU A 52 -8.260 -0.817 -4.118 1.00 0.00 C ATOM 654 O LEU A 52 -9.069 -1.292 -3.332 1.00 0.00 O ATOM 655 CB LEU A 52 -9.167 0.434 -6.132 1.00 0.00 C ATOM 656 CG LEU A 52 -10.696 0.639 -6.211 1.00 0.00 C ATOM 657 CD1 LEU A 52 -11.480 -0.337 -5.323 1.00 0.00 C ATOM 658 CD2 LEU A 52 -11.095 2.086 -5.884 1.00 0.00 C ATOM 0 H LEU A 52 -7.063 1.661 -5.721 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.270 1.051 -4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.687 1.161 -6.787 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.931 -0.554 -6.526 1.00 0.00 H new ATOM 0 HG LEU A 52 -10.965 0.426 -7.246 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -12.548 -0.142 -5.423 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.268 -1.361 -5.632 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -11.182 -0.202 -4.283 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.178 2.189 -5.951 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.768 2.334 -4.874 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.622 2.763 -6.595 1.00 0.00 H new ATOM 670 N LEU A 53 -7.118 -1.441 -4.425 1.00 0.00 N ATOM 671 CA LEU A 53 -6.731 -2.754 -3.905 1.00 0.00 C ATOM 672 C LEU A 53 -6.668 -2.770 -2.378 1.00 0.00 C ATOM 673 O LEU A 53 -7.214 -3.677 -1.760 1.00 0.00 O ATOM 674 CB LEU A 53 -5.376 -3.161 -4.500 1.00 0.00 C ATOM 675 CG LEU A 53 -5.045 -4.648 -4.280 1.00 0.00 C ATOM 676 CD1 LEU A 53 -5.890 -5.535 -5.210 1.00 0.00 C ATOM 677 CD2 LEU A 53 -3.547 -4.847 -4.496 1.00 0.00 C ATOM 0 H LEU A 53 -6.424 -1.038 -5.055 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.495 -3.473 -4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.376 -2.949 -5.569 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.591 -2.550 -4.054 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.294 -4.945 -3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.641 -6.582 -5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.948 -5.375 -5.003 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.680 -5.277 -6.248 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.294 -5.896 -4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.284 -4.554 -5.512 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.992 -4.233 -3.786 1.00 0.00 H new ATOM 689 N ILE A 54 -6.036 -1.778 -1.751 1.00 0.00 N ATOM 690 CA ILE A 54 -6.039 -1.689 -0.280 1.00 0.00 C ATOM 691 C ILE A 54 -7.425 -1.286 0.250 1.00 0.00 C ATOM 692 O ILE A 54 -7.844 -1.782 1.296 1.00 0.00 O ATOM 693 CB ILE A 54 -4.922 -0.744 0.218 1.00 0.00 C ATOM 694 CG1 ILE A 54 -3.528 -1.043 -0.376 1.00 0.00 C ATOM 695 CG2 ILE A 54 -4.821 -0.794 1.751 1.00 0.00 C ATOM 696 CD1 ILE A 54 -3.047 -2.486 -0.217 1.00 0.00 C ATOM 0 H ILE A 54 -5.522 -1.034 -2.223 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.824 -2.679 0.123 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.213 0.248 -0.126 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.543 -0.797 -1.438 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.801 -0.381 0.094 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -4.030 -0.123 2.086 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.770 -0.483 2.188 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.592 -1.812 2.068 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.060 -2.592 -0.666 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.992 -2.737 0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.746 -3.159 -0.713 1.00 0.00 H new ATOM 708 N SER A 55 -8.172 -0.453 -0.478 1.00 0.00 N ATOM 709 CA SER A 55 -9.552 -0.105 -0.105 1.00 0.00 C ATOM 710 C SER A 55 -10.515 -1.322 -0.068 1.00 0.00 C ATOM 711 O SER A 55 -11.274 -1.466 0.898 1.00 0.00 O ATOM 712 CB SER A 55 -10.093 0.973 -1.053 1.00 0.00 C ATOM 713 OG SER A 55 -11.269 1.573 -0.522 1.00 0.00 O ATOM 0 H SER A 55 -7.846 -0.003 -1.333 1.00 0.00 H new ATOM 0 HA SER A 55 -9.510 0.277 0.915 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.332 1.736 -1.214 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.312 0.531 -2.025 1.00 0.00 H new ATOM 0 HG SER A 55 -11.595 2.258 -1.142 1.00 0.00 H new ATOM 719 N LYS A 56 -10.477 -2.232 -1.061 1.00 0.00 N ATOM 720 CA LYS A 56 -11.199 -3.520 -1.019 1.00 0.00 C ATOM 721 C LYS A 56 -10.516 -4.537 -0.083 1.00 0.00 C ATOM 722 O LYS A 56 -11.067 -4.854 0.974 1.00 0.00 O ATOM 723 CB LYS A 56 -11.484 -4.124 -2.425 1.00 0.00 C ATOM 724 CG LYS A 56 -10.400 -4.012 -3.518 1.00 0.00 C ATOM 725 CD LYS A 56 -10.358 -5.196 -4.507 1.00 0.00 C ATOM 726 CE LYS A 56 -9.812 -4.804 -5.903 1.00 0.00 C ATOM 727 NZ LYS A 56 -10.898 -4.279 -6.783 1.00 0.00 N ATOM 0 H LYS A 56 -9.942 -2.094 -1.919 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.177 -3.291 -0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.708 -5.182 -2.290 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.389 -3.653 -2.809 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.563 -3.092 -4.080 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.426 -3.923 -3.037 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.736 -5.988 -4.090 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.362 -5.604 -4.618 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.034 -4.049 -5.792 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.349 -5.672 -6.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.478 -3.809 -7.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.499 -5.066 -7.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.475 -3.595 -6.253 1.00 0.00 H new ATOM 741 N LYS A 57 -9.346 -5.047 -0.491 1.00 0.00 N ATOM 742 CA LYS A 57 -8.527 -6.126 0.100 1.00 0.00 C ATOM 743 C LYS A 57 -7.413 -6.600 -0.857 1.00 0.00 C ATOM 744 O LYS A 57 -7.576 -6.557 -2.079 1.00 0.00 O ATOM 745 CB LYS A 57 -9.370 -7.323 0.591 1.00 0.00 C ATOM 746 CG LYS A 57 -10.265 -7.970 -0.486 1.00 0.00 C ATOM 747 CD LYS A 57 -11.251 -8.999 0.088 1.00 0.00 C ATOM 748 CE LYS A 57 -10.552 -10.207 0.735 1.00 0.00 C ATOM 749 NZ LYS A 57 -11.535 -11.211 1.229 1.00 0.00 N ATOM 0 H LYS A 57 -8.899 -4.679 -1.331 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.054 -5.686 0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.698 -8.083 0.989 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.001 -6.991 1.416 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -10.824 -7.189 -1.003 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.634 -8.456 -1.230 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.884 -8.512 0.830 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.906 -9.350 -0.709 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.887 -10.675 0.009 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.931 -9.867 1.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.028 -12.011 1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.153 -10.771 1.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.111 -11.553 0.434 1.00 0.00 H new ATOM 763 N GLY A 58 -6.307 -7.105 -0.287 1.00 0.00 N ATOM 764 CA GLY A 58 -5.079 -7.473 -1.009 1.00 0.00 C ATOM 765 C GLY A 58 -5.316 -8.451 -2.163 1.00 0.00 C ATOM 766 O GLY A 58 -4.934 -8.146 -3.291 1.00 0.00 O ATOM 0 H GLY A 58 -6.241 -7.273 0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.613 -6.569 -1.400 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.374 -7.917 -0.307 1.00 0.00 H new ATOM 770 N TYR A 59 -5.978 -9.586 -1.895 1.00 0.00 N ATOM 771 CA TYR A 59 -6.506 -10.516 -2.894 1.00 0.00 C ATOM 772 C TYR A 59 -5.376 -11.054 -3.793 1.00 0.00 C ATOM 773 O TYR A 59 -4.212 -11.098 -3.391 1.00 0.00 O ATOM 774 CB TYR A 59 -7.684 -9.804 -3.602 1.00 0.00 C ATOM 775 CG TYR A 59 -8.562 -10.651 -4.505 1.00 0.00 C ATOM 776 CD1 TYR A 59 -9.191 -11.807 -4.002 1.00 0.00 C ATOM 777 CD2 TYR A 59 -8.727 -10.300 -5.859 1.00 0.00 C ATOM 778 CE1 TYR A 59 -9.968 -12.618 -4.851 1.00 0.00 C ATOM 779 CE2 TYR A 59 -9.501 -11.109 -6.714 1.00 0.00 C ATOM 780 CZ TYR A 59 -10.124 -12.274 -6.212 1.00 0.00 C ATOM 781 OH TYR A 59 -10.874 -13.065 -7.030 1.00 0.00 O ATOM 0 H TYR A 59 -6.165 -9.889 -0.939 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.913 -11.428 -2.456 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -8.318 -9.357 -2.837 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.277 -8.986 -4.197 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.077 -12.072 -2.961 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.258 -9.406 -6.244 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.446 -13.505 -4.461 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.618 -10.839 -7.753 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.881 -12.687 -7.934 1.00 0.00 H new ATOM 791 N VAL A 60 -5.708 -11.469 -5.008 1.00 0.00 N ATOM 792 CA VAL A 60 -4.740 -11.635 -6.097 1.00 0.00 C ATOM 793 C VAL A 60 -4.982 -10.529 -7.127 1.00 0.00 C ATOM 794 O VAL A 60 -6.060 -10.419 -7.709 1.00 0.00 O ATOM 795 CB VAL A 60 -4.810 -13.041 -6.710 1.00 0.00 C ATOM 796 CG1 VAL A 60 -3.716 -13.212 -7.782 1.00 0.00 C ATOM 797 CG2 VAL A 60 -4.615 -14.139 -5.649 1.00 0.00 C ATOM 0 H VAL A 60 -6.665 -11.704 -5.273 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.725 -11.541 -5.710 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.801 -13.144 -7.152 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.777 -14.213 -8.208 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.860 -12.473 -8.570 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.736 -13.071 -7.327 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.672 -15.118 -6.124 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.639 -14.020 -5.178 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.396 -14.057 -4.893 1.00 0.00 H new ATOM 807 N PHE A 61 -3.967 -9.683 -7.295 1.00 0.00 N ATOM 808 CA PHE A 61 -3.949 -8.497 -8.145 1.00 0.00 C ATOM 809 C PHE A 61 -3.628 -8.957 -9.580 1.00 0.00 C ATOM 810 O PHE A 61 -2.526 -9.430 -9.856 1.00 0.00 O ATOM 811 CB PHE A 61 -2.892 -7.562 -7.516 1.00 0.00 C ATOM 812 CG PHE A 61 -2.915 -6.062 -7.745 1.00 0.00 C ATOM 813 CD1 PHE A 61 -4.046 -5.350 -8.187 1.00 0.00 C ATOM 814 CD2 PHE A 61 -1.781 -5.342 -7.331 1.00 0.00 C ATOM 815 CE1 PHE A 61 -4.013 -3.944 -8.240 1.00 0.00 C ATOM 816 CE2 PHE A 61 -1.716 -3.946 -7.462 1.00 0.00 C ATOM 817 CZ PHE A 61 -2.839 -3.243 -7.914 1.00 0.00 C ATOM 0 H PHE A 61 -3.080 -9.817 -6.810 1.00 0.00 H new ATOM 0 HA PHE A 61 -4.892 -7.955 -8.207 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -2.935 -7.717 -6.438 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.917 -7.917 -7.851 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.938 -5.882 -8.485 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.943 -5.873 -6.904 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.898 -3.399 -8.534 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.806 -3.418 -7.216 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.804 -2.168 -8.012 1.00 0.00 H new ATOM 827 N SER A 62 -4.621 -8.918 -10.469 1.00 0.00 N ATOM 828 CA SER A 62 -4.639 -9.688 -11.732 1.00 0.00 C ATOM 829 C SER A 62 -4.838 -8.806 -12.963 1.00 0.00 C ATOM 830 O SER A 62 -5.591 -7.843 -12.889 1.00 0.00 O ATOM 831 CB SER A 62 -5.843 -10.640 -11.720 1.00 0.00 C ATOM 832 OG SER A 62 -5.698 -11.681 -10.762 1.00 0.00 O ATOM 0 H SER A 62 -5.454 -8.343 -10.338 1.00 0.00 H new ATOM 0 HA SER A 62 -3.677 -10.197 -11.791 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.749 -10.074 -11.504 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.969 -11.076 -12.711 1.00 0.00 H new ATOM 0 HG SER A 62 -5.787 -11.310 -9.859 1.00 0.00 H new ATOM 838 N ARG A 63 -4.277 -9.188 -14.120 1.00 0.00 N ATOM 839 CA ARG A 63 -4.399 -8.485 -15.419 1.00 0.00 C ATOM 840 C ARG A 63 -5.806 -7.913 -15.724 1.00 0.00 C ATOM 841 O ARG A 63 -5.928 -6.716 -15.954 1.00 0.00 O ATOM 842 CB ARG A 63 -3.884 -9.371 -16.576 1.00 0.00 C ATOM 843 CG ARG A 63 -4.058 -10.893 -16.381 1.00 0.00 C ATOM 844 CD ARG A 63 -4.130 -11.671 -17.702 1.00 0.00 C ATOM 845 NE ARG A 63 -5.415 -11.447 -18.392 1.00 0.00 N ATOM 846 CZ ARG A 63 -6.605 -11.933 -18.040 1.00 0.00 C ATOM 847 NH1 ARG A 63 -6.769 -12.706 -16.988 1.00 0.00 N ATOM 848 NH2 ARG A 63 -7.680 -11.628 -18.732 1.00 0.00 N ATOM 0 H ARG A 63 -3.702 -10.028 -14.186 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.761 -7.606 -15.330 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.400 -9.079 -17.491 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -2.825 -9.161 -16.727 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.226 -11.274 -15.788 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.967 -11.077 -15.809 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.309 -11.365 -18.351 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -4.002 -12.736 -17.506 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.390 -10.859 -19.225 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -5.968 -12.954 -16.407 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.697 -13.057 -16.753 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -7.607 -11.016 -19.544 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -8.587 -12.004 -18.457 1.00 0.00 H new ATOM 862 N GLU A 64 -6.870 -8.722 -15.685 1.00 0.00 N ATOM 863 CA GLU A 64 -8.261 -8.277 -15.846 1.00 0.00 C ATOM 864 C GLU A 64 -8.711 -7.229 -14.816 1.00 0.00 C ATOM 865 O GLU A 64 -9.119 -6.127 -15.167 1.00 0.00 O ATOM 866 CB GLU A 64 -9.169 -9.516 -15.825 1.00 0.00 C ATOM 867 CG GLU A 64 -9.113 -10.472 -14.620 1.00 0.00 C ATOM 868 CD GLU A 64 -9.829 -11.792 -14.955 1.00 0.00 C ATOM 869 OE1 GLU A 64 -9.243 -12.627 -15.686 1.00 0.00 O ATOM 870 OE2 GLU A 64 -10.977 -12.000 -14.496 1.00 0.00 O ATOM 0 H GLU A 64 -6.788 -9.728 -15.537 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.337 -7.761 -16.803 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.198 -9.169 -15.920 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.946 -10.101 -16.717 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.075 -10.671 -14.352 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.582 -10.005 -13.754 1.00 0.00 H new ATOM 877 N SER A 65 -8.612 -7.544 -13.531 1.00 0.00 N ATOM 878 CA SER A 65 -8.956 -6.621 -12.429 1.00 0.00 C ATOM 879 C SER A 65 -8.172 -5.293 -12.510 1.00 0.00 C ATOM 880 O SER A 65 -8.724 -4.201 -12.360 1.00 0.00 O ATOM 881 CB SER A 65 -8.691 -7.302 -11.078 1.00 0.00 C ATOM 882 OG SER A 65 -9.294 -8.592 -11.027 1.00 0.00 O ATOM 0 H SER A 65 -8.288 -8.456 -13.209 1.00 0.00 H new ATOM 0 HA SER A 65 -10.015 -6.380 -12.524 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.617 -7.393 -10.917 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.083 -6.682 -10.272 1.00 0.00 H new ATOM 0 HG SER A 65 -9.109 -9.005 -10.158 1.00 0.00 H new ATOM 888 N ILE A 66 -6.881 -5.387 -12.834 1.00 0.00 N ATOM 889 CA ILE A 66 -5.980 -4.264 -13.163 1.00 0.00 C ATOM 890 C ILE A 66 -6.523 -3.400 -14.311 1.00 0.00 C ATOM 891 O ILE A 66 -6.608 -2.180 -14.171 1.00 0.00 O ATOM 892 CB ILE A 66 -4.582 -4.855 -13.459 1.00 0.00 C ATOM 893 CG1 ILE A 66 -3.919 -5.349 -12.154 1.00 0.00 C ATOM 894 CG2 ILE A 66 -3.673 -3.936 -14.279 1.00 0.00 C ATOM 895 CD1 ILE A 66 -2.935 -4.379 -11.494 1.00 0.00 C ATOM 0 H ILE A 66 -6.406 -6.288 -12.878 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.910 -3.579 -12.318 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.737 -5.716 -14.109 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.705 -5.583 -11.436 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.394 -6.280 -12.366 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.713 -4.425 -14.442 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.141 -3.725 -15.241 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.517 -3.002 -13.739 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.532 -4.830 -10.587 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.120 -4.162 -12.184 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.452 -3.454 -11.240 1.00 0.00 H new ATOM 907 N ALA A 67 -6.938 -4.026 -15.413 1.00 0.00 N ATOM 908 CA ALA A 67 -7.570 -3.385 -16.564 1.00 0.00 C ATOM 909 C ALA A 67 -8.900 -2.726 -16.194 1.00 0.00 C ATOM 910 O ALA A 67 -9.276 -1.734 -16.811 1.00 0.00 O ATOM 911 CB ALA A 67 -7.839 -4.429 -17.655 1.00 0.00 C ATOM 0 H ALA A 67 -6.838 -5.034 -15.532 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.885 -2.615 -16.920 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.310 -3.947 -18.512 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.897 -4.881 -17.966 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.501 -5.202 -17.264 1.00 0.00 H new ATOM 917 N ILE A 68 -9.613 -3.272 -15.207 1.00 0.00 N ATOM 918 CA ILE A 68 -10.892 -2.719 -14.737 1.00 0.00 C ATOM 919 C ILE A 68 -10.662 -1.471 -13.865 1.00 0.00 C ATOM 920 O ILE A 68 -11.430 -0.511 -13.986 1.00 0.00 O ATOM 921 CB ILE A 68 -11.738 -3.825 -14.057 1.00 0.00 C ATOM 922 CG1 ILE A 68 -12.216 -4.853 -15.115 1.00 0.00 C ATOM 923 CG2 ILE A 68 -12.960 -3.249 -13.320 1.00 0.00 C ATOM 924 CD1 ILE A 68 -12.720 -6.175 -14.520 1.00 0.00 C ATOM 0 H ILE A 68 -9.322 -4.112 -14.708 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.479 -2.373 -15.588 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.100 -4.313 -13.320 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.015 -4.405 -15.706 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.393 -5.064 -15.798 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -13.523 -4.061 -12.859 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.626 -2.555 -12.548 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -13.598 -2.722 -14.030 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -13.036 -6.839 -15.325 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.918 -6.648 -13.953 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -13.565 -5.978 -13.860 1.00 0.00 H new ATOM 936 N GLU A 69 -9.608 -1.435 -13.035 1.00 0.00 N ATOM 937 CA GLU A 69 -9.352 -0.293 -12.145 1.00 0.00 C ATOM 938 C GLU A 69 -8.378 0.785 -12.692 1.00 0.00 C ATOM 939 O GLU A 69 -8.612 1.962 -12.412 1.00 0.00 O ATOM 940 CB GLU A 69 -8.883 -0.779 -10.766 1.00 0.00 C ATOM 941 CG GLU A 69 -9.913 -0.640 -9.646 1.00 0.00 C ATOM 942 CD GLU A 69 -10.969 -1.752 -9.650 1.00 0.00 C ATOM 943 OE1 GLU A 69 -10.660 -2.872 -9.178 1.00 0.00 O ATOM 944 OE2 GLU A 69 -12.127 -1.488 -10.047 1.00 0.00 O ATOM 0 H GLU A 69 -8.919 -2.184 -12.962 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.315 0.213 -12.069 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.595 -1.827 -10.846 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.988 -0.223 -10.487 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -9.397 -0.642 -8.686 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.411 0.325 -9.738 1.00 0.00 H new ATOM 951 N SER A 70 -7.308 0.465 -13.444 1.00 0.00 N ATOM 952 CA SER A 70 -6.463 1.519 -14.072 1.00 0.00 C ATOM 953 C SER A 70 -7.110 2.011 -15.380 1.00 0.00 C ATOM 954 O SER A 70 -7.476 3.186 -15.486 1.00 0.00 O ATOM 955 CB SER A 70 -4.986 1.088 -14.247 1.00 0.00 C ATOM 956 OG SER A 70 -4.452 1.320 -15.543 1.00 0.00 O ATOM 0 H SER A 70 -7.006 -0.491 -13.634 1.00 0.00 H new ATOM 0 HA SER A 70 -6.420 2.365 -13.386 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.377 1.621 -13.517 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.902 0.026 -14.018 1.00 0.00 H new ATOM 0 HG SER A 70 -3.518 1.023 -15.570 1.00 0.00 H new ATOM 962 N GLU A 71 -7.297 1.103 -16.349 1.00 0.00 N ATOM 963 CA GLU A 71 -8.221 1.227 -17.484 1.00 0.00 C ATOM 964 C GLU A 71 -7.836 2.293 -18.542 1.00 0.00 C ATOM 965 O GLU A 71 -8.532 2.474 -19.542 1.00 0.00 O ATOM 966 CB GLU A 71 -9.656 1.375 -16.937 1.00 0.00 C ATOM 967 CG GLU A 71 -10.717 0.943 -17.961 1.00 0.00 C ATOM 968 CD GLU A 71 -12.121 0.855 -17.340 1.00 0.00 C ATOM 969 OE1 GLU A 71 -12.643 1.893 -16.862 1.00 0.00 O ATOM 970 OE2 GLU A 71 -12.747 -0.232 -17.383 1.00 0.00 O ATOM 0 H GLU A 71 -6.784 0.222 -16.363 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.152 0.309 -18.068 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.762 0.776 -16.033 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -9.829 2.413 -16.653 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.731 1.653 -18.788 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -10.444 -0.027 -18.377 1.00 0.00 H new ATOM 977 N SER A 72 -6.687 2.958 -18.403 1.00 0.00 N ATOM 978 CA SER A 72 -6.115 3.858 -19.427 1.00 0.00 C ATOM 979 C SER A 72 -5.463 3.099 -20.611 1.00 0.00 C ATOM 980 O SER A 72 -4.921 3.707 -21.539 1.00 0.00 O ATOM 981 CB SER A 72 -5.104 4.802 -18.756 1.00 0.00 C ATOM 982 OG SER A 72 -4.073 4.081 -18.088 1.00 0.00 O ATOM 0 H SER A 72 -6.112 2.890 -17.563 1.00 0.00 H new ATOM 0 HA SER A 72 -6.934 4.432 -19.860 1.00 0.00 H new ATOM 0 HB2 SER A 72 -4.662 5.456 -19.508 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.622 5.442 -18.042 1.00 0.00 H new ATOM 0 HG SER A 72 -3.448 4.712 -17.675 1.00 0.00 H new ATOM 988 N ILE A 73 -5.505 1.762 -20.577 1.00 0.00 N ATOM 989 CA ILE A 73 -4.812 0.825 -21.476 1.00 0.00 C ATOM 990 C ILE A 73 -5.777 0.298 -22.555 1.00 0.00 C ATOM 991 O ILE A 73 -6.922 -0.042 -22.250 1.00 0.00 O ATOM 992 CB ILE A 73 -4.214 -0.341 -20.645 1.00 0.00 C ATOM 993 CG1 ILE A 73 -3.500 0.109 -19.343 1.00 0.00 C ATOM 994 CG2 ILE A 73 -3.291 -1.193 -21.536 1.00 0.00 C ATOM 995 CD1 ILE A 73 -2.284 1.023 -19.522 1.00 0.00 C ATOM 0 H ILE A 73 -6.060 1.271 -19.876 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.001 1.346 -21.984 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.052 -0.948 -20.303 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -4.226 0.624 -18.714 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.183 -0.782 -18.800 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.873 -2.011 -20.949 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.864 -1.600 -22.369 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.482 -0.572 -21.921 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.869 1.271 -18.545 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.529 0.511 -20.118 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.588 1.938 -20.030 1.00 0.00 H new ATOM 1007 N ASN A 74 -5.322 0.199 -23.813 1.00 0.00 N ATOM 1008 CA ASN A 74 -6.177 -0.205 -24.945 1.00 0.00 C ATOM 1009 C ASN A 74 -6.655 -1.681 -24.880 1.00 0.00 C ATOM 1010 O ASN A 74 -7.875 -1.891 -24.880 1.00 0.00 O ATOM 1011 CB ASN A 74 -5.504 0.163 -26.282 1.00 0.00 C ATOM 1012 CG ASN A 74 -5.445 1.676 -26.497 1.00 0.00 C ATOM 1013 OD1 ASN A 74 -6.464 2.339 -26.658 1.00 0.00 O ATOM 1014 ND2 ASN A 74 -4.262 2.267 -26.500 1.00 0.00 N ATOM 0 H ASN A 74 -4.356 0.395 -24.076 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.102 0.367 -24.869 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.494 -0.246 -26.304 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.053 -0.299 -27.103 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.196 3.276 -26.636 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -3.415 1.714 -26.366 1.00 0.00 H new ATOM 1021 N PRO A 75 -5.771 -2.708 -24.812 1.00 0.00 N ATOM 1022 CA PRO A 75 -6.187 -4.106 -24.661 1.00 0.00 C ATOM 1023 C PRO A 75 -6.706 -4.397 -23.244 1.00 0.00 C ATOM 1024 O PRO A 75 -5.965 -4.299 -22.267 1.00 0.00 O ATOM 1025 CB PRO A 75 -4.948 -4.949 -24.998 1.00 0.00 C ATOM 1026 CG PRO A 75 -3.783 -4.020 -24.658 1.00 0.00 C ATOM 1027 CD PRO A 75 -4.335 -2.655 -25.067 1.00 0.00 C ATOM 0 HA PRO A 75 -7.019 -4.344 -25.324 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -4.915 -5.867 -24.411 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.935 -5.242 -26.048 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.528 -4.056 -23.599 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -2.880 -4.278 -25.212 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.866 -1.856 -24.492 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.133 -2.452 -26.119 1.00 0.00 H new ATOM 1035 N GLU A 76 -7.973 -4.818 -23.143 1.00 0.00 N ATOM 1036 CA GLU A 76 -8.640 -5.173 -21.881 1.00 0.00 C ATOM 1037 C GLU A 76 -8.128 -6.485 -21.251 1.00 0.00 C ATOM 1038 O GLU A 76 -8.405 -6.771 -20.085 1.00 0.00 O ATOM 1039 CB GLU A 76 -10.160 -5.225 -22.117 1.00 0.00 C ATOM 1040 CG GLU A 76 -10.619 -6.357 -23.050 1.00 0.00 C ATOM 1041 CD GLU A 76 -12.140 -6.315 -23.253 1.00 0.00 C ATOM 1042 OE1 GLU A 76 -12.612 -5.635 -24.195 1.00 0.00 O ATOM 1043 OE2 GLU A 76 -12.880 -6.969 -22.479 1.00 0.00 O ATOM 0 H GLU A 76 -8.579 -4.924 -23.956 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.396 -4.398 -21.154 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.661 -5.337 -21.156 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -10.483 -4.272 -22.536 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.117 -6.266 -24.013 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.330 -7.320 -22.629 1.00 0.00 H new ATOM 1050 N SER A 77 -7.367 -7.289 -21.998 1.00 0.00 N ATOM 1051 CA SER A 77 -6.656 -8.469 -21.486 1.00 0.00 C ATOM 1052 C SER A 77 -5.375 -8.108 -20.715 1.00 0.00 C ATOM 1053 O SER A 77 -4.893 -8.927 -19.934 1.00 0.00 O ATOM 1054 CB SER A 77 -6.326 -9.400 -22.663 1.00 0.00 C ATOM 1055 OG SER A 77 -5.601 -8.712 -23.680 1.00 0.00 O ATOM 0 H SER A 77 -7.223 -7.137 -22.996 1.00 0.00 H new ATOM 0 HA SER A 77 -7.311 -8.971 -20.774 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.741 -10.247 -22.306 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.249 -9.803 -23.080 1.00 0.00 H new ATOM 0 HG SER A 77 -5.403 -9.329 -24.415 1.00 0.00 H new ATOM 1061 N SER A 78 -4.848 -6.889 -20.893 1.00 0.00 N ATOM 1062 CA SER A 78 -3.872 -6.222 -20.012 1.00 0.00 C ATOM 1063 C SER A 78 -2.494 -6.897 -19.872 1.00 0.00 C ATOM 1064 O SER A 78 -1.718 -6.566 -18.974 1.00 0.00 O ATOM 1065 CB SER A 78 -4.517 -5.916 -18.652 1.00 0.00 C ATOM 1066 OG SER A 78 -4.713 -4.517 -18.533 1.00 0.00 O ATOM 0 H SER A 78 -5.101 -6.310 -21.694 1.00 0.00 H new ATOM 0 HA SER A 78 -3.620 -5.292 -20.521 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.470 -6.438 -18.562 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.879 -6.276 -17.844 1.00 0.00 H new ATOM 0 HG SER A 78 -3.984 -4.128 -18.006 1.00 0.00 H new ATOM 1072 N ASN A 79 -2.138 -7.803 -20.787 1.00 0.00 N ATOM 1073 CA ASN A 79 -0.857 -8.524 -20.780 1.00 0.00 C ATOM 1074 C ASN A 79 0.375 -7.588 -20.783 1.00 0.00 C ATOM 1075 O ASN A 79 1.409 -7.926 -20.210 1.00 0.00 O ATOM 1076 CB ASN A 79 -0.862 -9.470 -21.992 1.00 0.00 C ATOM 1077 CG ASN A 79 0.469 -10.190 -22.200 1.00 0.00 C ATOM 1078 OD1 ASN A 79 1.277 -9.799 -23.036 1.00 0.00 O ATOM 1079 ND2 ASN A 79 0.739 -11.240 -21.445 1.00 0.00 N ATOM 0 H ASN A 79 -2.741 -8.062 -21.568 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.765 -9.086 -19.850 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.652 -10.210 -21.863 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -1.103 -8.899 -22.889 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.625 -11.733 -21.555 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.061 -11.558 -20.752 1.00 0.00 H new ATOM 1086 N LYS A 80 0.266 -6.396 -21.389 1.00 0.00 N ATOM 1087 CA LYS A 80 1.321 -5.368 -21.374 1.00 0.00 C ATOM 1088 C LYS A 80 1.196 -4.394 -20.190 1.00 0.00 C ATOM 1089 O LYS A 80 2.220 -3.923 -19.696 1.00 0.00 O ATOM 1090 CB LYS A 80 1.346 -4.631 -22.731 1.00 0.00 C ATOM 1091 CG LYS A 80 1.956 -5.455 -23.884 1.00 0.00 C ATOM 1092 CD LYS A 80 0.982 -6.449 -24.545 1.00 0.00 C ATOM 1093 CE LYS A 80 1.633 -7.243 -25.690 1.00 0.00 C ATOM 1094 NZ LYS A 80 2.620 -8.251 -25.207 1.00 0.00 N ATOM 0 H LYS A 80 -0.565 -6.115 -21.909 1.00 0.00 H new ATOM 0 HA LYS A 80 2.276 -5.872 -21.228 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.327 -4.350 -22.999 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.913 -3.707 -22.620 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.328 -4.770 -24.646 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.816 -6.007 -23.504 1.00 0.00 H new ATOM 0 HD2 LYS A 80 0.611 -7.144 -23.791 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.119 -5.905 -24.930 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.856 -7.748 -26.263 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.131 -6.551 -26.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 2.888 -8.879 -25.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.466 -7.764 -24.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.195 -8.814 -24.443 1.00 0.00 H new ATOM 1108 N SER A 81 -0.007 -4.136 -19.661 1.00 0.00 N ATOM 1109 CA SER A 81 -0.134 -3.325 -18.442 1.00 0.00 C ATOM 1110 C SER A 81 0.473 -4.076 -17.257 1.00 0.00 C ATOM 1111 O SER A 81 1.329 -3.526 -16.582 1.00 0.00 O ATOM 1112 CB SER A 81 -1.588 -2.899 -18.171 1.00 0.00 C ATOM 1113 OG SER A 81 -2.345 -3.910 -17.536 1.00 0.00 O ATOM 0 H SER A 81 -0.890 -4.469 -20.048 1.00 0.00 H new ATOM 0 HA SER A 81 0.423 -2.400 -18.589 1.00 0.00 H new ATOM 0 HB2 SER A 81 -1.590 -2.005 -17.548 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.065 -2.632 -19.114 1.00 0.00 H new ATOM 0 HG SER A 81 -2.170 -4.771 -17.970 1.00 0.00 H new ATOM 1119 N ILE A 82 0.134 -5.354 -17.042 1.00 0.00 N ATOM 1120 CA ILE A 82 0.688 -6.125 -15.911 1.00 0.00 C ATOM 1121 C ILE A 82 2.211 -6.229 -15.985 1.00 0.00 C ATOM 1122 O ILE A 82 2.893 -6.074 -14.979 1.00 0.00 O ATOM 1123 CB ILE A 82 0.002 -7.501 -15.803 1.00 0.00 C ATOM 1124 CG1 ILE A 82 0.163 -8.021 -14.356 1.00 0.00 C ATOM 1125 CG2 ILE A 82 0.458 -8.531 -16.852 1.00 0.00 C ATOM 1126 CD1 ILE A 82 -0.562 -9.337 -14.067 1.00 0.00 C ATOM 0 H ILE A 82 -0.516 -5.877 -17.629 1.00 0.00 H new ATOM 0 HA ILE A 82 0.470 -5.583 -14.991 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.054 -7.360 -16.033 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.225 -8.153 -14.148 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.205 -7.260 -13.668 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -0.078 -9.468 -16.699 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.246 -8.151 -17.851 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.529 -8.704 -16.750 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.393 -9.625 -13.029 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.631 -9.209 -14.239 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.179 -10.116 -14.726 1.00 0.00 H new ATOM 1138 N ASP A 83 2.725 -6.399 -17.197 1.00 0.00 N ATOM 1139 CA ASP A 83 4.162 -6.408 -17.500 1.00 0.00 C ATOM 1140 C ASP A 83 4.840 -5.066 -17.152 1.00 0.00 C ATOM 1141 O ASP A 83 5.851 -5.072 -16.445 1.00 0.00 O ATOM 1142 CB ASP A 83 4.383 -6.784 -18.970 1.00 0.00 C ATOM 1143 CG ASP A 83 5.878 -6.857 -19.320 1.00 0.00 C ATOM 1144 OD1 ASP A 83 6.541 -7.844 -18.922 1.00 0.00 O ATOM 1145 OD2 ASP A 83 6.381 -5.937 -20.008 1.00 0.00 O ATOM 0 H ASP A 83 2.143 -6.539 -18.023 1.00 0.00 H new ATOM 0 HA ASP A 83 4.634 -7.162 -16.870 1.00 0.00 H new ATOM 0 HB2 ASP A 83 3.914 -7.747 -19.174 1.00 0.00 H new ATOM 0 HB3 ASP A 83 3.895 -6.050 -19.611 1.00 0.00 H new ATOM 1150 N VAL A 84 4.271 -3.926 -17.578 1.00 0.00 N ATOM 1151 CA VAL A 84 4.749 -2.589 -17.145 1.00 0.00 C ATOM 1152 C VAL A 84 4.652 -2.435 -15.629 1.00 0.00 C ATOM 1153 O VAL A 84 5.587 -1.938 -15.014 1.00 0.00 O ATOM 1154 CB VAL A 84 3.988 -1.413 -17.810 1.00 0.00 C ATOM 1155 CG1 VAL A 84 4.277 -0.027 -17.197 1.00 0.00 C ATOM 1156 CG2 VAL A 84 4.368 -1.330 -19.299 1.00 0.00 C ATOM 0 H VAL A 84 3.480 -3.897 -18.221 1.00 0.00 H new ATOM 0 HA VAL A 84 5.789 -2.540 -17.468 1.00 0.00 H new ATOM 0 HB VAL A 84 2.933 -1.634 -17.649 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.701 0.732 -17.726 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.994 -0.029 -16.144 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.340 0.196 -17.287 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.833 -0.503 -19.766 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.442 -1.166 -19.392 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.099 -2.262 -19.796 1.00 0.00 H new ATOM 1166 N ILE A 85 3.532 -2.835 -15.024 1.00 0.00 N ATOM 1167 CA ILE A 85 3.235 -2.591 -13.609 1.00 0.00 C ATOM 1168 C ILE A 85 4.197 -3.408 -12.745 1.00 0.00 C ATOM 1169 O ILE A 85 4.898 -2.819 -11.930 1.00 0.00 O ATOM 1170 CB ILE A 85 1.735 -2.867 -13.326 1.00 0.00 C ATOM 1171 CG1 ILE A 85 0.706 -1.928 -14.028 1.00 0.00 C ATOM 1172 CG2 ILE A 85 1.437 -2.840 -11.818 1.00 0.00 C ATOM 1173 CD1 ILE A 85 1.227 -0.807 -14.946 1.00 0.00 C ATOM 0 H ILE A 85 2.794 -3.345 -15.509 1.00 0.00 H new ATOM 0 HA ILE A 85 3.396 -1.545 -13.350 1.00 0.00 H new ATOM 0 HB ILE A 85 1.594 -3.857 -13.759 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.038 -2.554 -14.619 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.101 -1.462 -13.250 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.378 -3.037 -11.653 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.031 -3.604 -11.316 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.691 -1.860 -11.414 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.384 -0.249 -15.353 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.865 -0.134 -14.373 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.801 -1.243 -15.763 1.00 0.00 H new ATOM 1185 N ILE A 86 4.323 -4.719 -12.978 1.00 0.00 N ATOM 1186 CA ILE A 86 5.307 -5.592 -12.307 1.00 0.00 C ATOM 1187 C ILE A 86 6.733 -5.074 -12.517 1.00 0.00 C ATOM 1188 O ILE A 86 7.489 -4.972 -11.550 1.00 0.00 O ATOM 1189 CB ILE A 86 5.156 -7.052 -12.808 1.00 0.00 C ATOM 1190 CG1 ILE A 86 3.868 -7.723 -12.278 1.00 0.00 C ATOM 1191 CG2 ILE A 86 6.382 -7.931 -12.481 1.00 0.00 C ATOM 1192 CD1 ILE A 86 3.839 -8.000 -10.767 1.00 0.00 C ATOM 0 H ILE A 86 3.737 -5.217 -13.648 1.00 0.00 H new ATOM 0 HA ILE A 86 5.111 -5.578 -11.235 1.00 0.00 H new ATOM 0 HB ILE A 86 5.084 -6.975 -13.893 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.019 -7.088 -12.529 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.728 -8.667 -12.805 1.00 0.00 H new ATOM 0 HG21 ILE A 86 6.216 -8.941 -12.857 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.269 -7.509 -12.954 1.00 0.00 H new ATOM 0 HG23 ILE A 86 6.528 -7.965 -11.401 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.893 -8.471 -10.502 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.662 -8.664 -10.503 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.942 -7.061 -10.223 1.00 0.00 H new ATOM 1204 N GLY A 87 7.090 -4.704 -13.754 1.00 0.00 N ATOM 1205 CA GLY A 87 8.427 -4.214 -14.093 1.00 0.00 C ATOM 1206 C GLY A 87 8.775 -2.947 -13.318 1.00 0.00 C ATOM 1207 O GLY A 87 9.795 -2.908 -12.635 1.00 0.00 O ATOM 0 H GLY A 87 6.453 -4.738 -14.550 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.164 -4.987 -13.877 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.481 -4.013 -15.163 1.00 0.00 H new ATOM 1211 N ARG A 88 7.908 -1.928 -13.356 1.00 0.00 N ATOM 1212 CA ARG A 88 8.127 -0.650 -12.686 1.00 0.00 C ATOM 1213 C ARG A 88 7.996 -0.749 -11.164 1.00 0.00 C ATOM 1214 O ARG A 88 8.763 -0.084 -10.476 1.00 0.00 O ATOM 1215 CB ARG A 88 7.180 0.407 -13.279 1.00 0.00 C ATOM 1216 CG ARG A 88 7.751 1.146 -14.504 1.00 0.00 C ATOM 1217 CD ARG A 88 8.138 0.249 -15.690 1.00 0.00 C ATOM 1218 NE ARG A 88 8.571 1.055 -16.847 1.00 0.00 N ATOM 1219 CZ ARG A 88 9.800 1.492 -17.115 1.00 0.00 C ATOM 1220 NH1 ARG A 88 10.830 1.235 -16.333 1.00 0.00 N ATOM 1221 NH2 ARG A 88 10.009 2.211 -18.196 1.00 0.00 N ATOM 0 H ARG A 88 7.023 -1.973 -13.862 1.00 0.00 H new ATOM 0 HA ARG A 88 9.157 -0.344 -12.867 1.00 0.00 H new ATOM 0 HB2 ARG A 88 6.245 -0.077 -13.563 1.00 0.00 H new ATOM 0 HB3 ARG A 88 6.939 1.138 -12.507 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.014 1.873 -14.845 1.00 0.00 H new ATOM 0 HG3 ARG A 88 8.632 1.707 -14.191 1.00 0.00 H new ATOM 0 HD2 ARG A 88 8.940 -0.426 -15.393 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.288 -0.372 -15.973 1.00 0.00 H new ATOM 0 HE ARG A 88 7.846 1.306 -17.519 1.00 0.00 H new ATOM 0 HH11 ARG A 88 10.702 0.682 -15.486 1.00 0.00 H new ATOM 0 HH12 ARG A 88 11.755 1.589 -16.575 1.00 0.00 H new ATOM 0 HH21 ARG A 88 9.233 2.430 -18.821 1.00 0.00 H new ATOM 0 HH22 ARG A 88 10.947 2.550 -18.409 1.00 0.00 H new ATOM 1235 N LEU A 89 7.119 -1.600 -10.617 1.00 0.00 N ATOM 1236 CA LEU A 89 7.051 -1.881 -9.177 1.00 0.00 C ATOM 1237 C LEU A 89 8.397 -2.444 -8.714 1.00 0.00 C ATOM 1238 O LEU A 89 9.026 -1.846 -7.842 1.00 0.00 O ATOM 1239 CB LEU A 89 5.851 -2.822 -8.920 1.00 0.00 C ATOM 1240 CG LEU A 89 5.325 -2.868 -7.476 1.00 0.00 C ATOM 1241 CD1 LEU A 89 4.047 -3.719 -7.436 1.00 0.00 C ATOM 1242 CD2 LEU A 89 6.326 -3.424 -6.451 1.00 0.00 C ATOM 0 H LEU A 89 6.431 -2.117 -11.165 1.00 0.00 H new ATOM 0 HA LEU A 89 6.879 -0.979 -8.589 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.033 -2.521 -9.574 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.138 -3.832 -9.213 1.00 0.00 H new ATOM 0 HG LEU A 89 5.137 -1.834 -7.189 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.667 -3.757 -6.415 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.294 -3.275 -8.087 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.272 -4.729 -7.777 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.872 -3.420 -5.460 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.596 -4.445 -6.723 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.221 -2.802 -6.442 1.00 0.00 H new ATOM 1254 N ARG A 90 8.881 -3.505 -9.376 1.00 0.00 N ATOM 1255 CA ARG A 90 10.195 -4.112 -9.122 1.00 0.00 C ATOM 1256 C ARG A 90 11.303 -3.064 -9.200 1.00 0.00 C ATOM 1257 O ARG A 90 12.091 -2.931 -8.270 1.00 0.00 O ATOM 1258 CB ARG A 90 10.447 -5.249 -10.126 1.00 0.00 C ATOM 1259 CG ARG A 90 11.673 -6.099 -9.748 1.00 0.00 C ATOM 1260 CD ARG A 90 11.958 -7.202 -10.777 1.00 0.00 C ATOM 1261 NE ARG A 90 10.877 -8.206 -10.841 1.00 0.00 N ATOM 1262 CZ ARG A 90 10.714 -9.260 -10.044 1.00 0.00 C ATOM 1263 NH1 ARG A 90 11.534 -9.518 -9.046 1.00 0.00 N ATOM 1264 NH2 ARG A 90 9.707 -10.081 -10.247 1.00 0.00 N ATOM 0 H ARG A 90 8.360 -3.974 -10.117 1.00 0.00 H new ATOM 0 HA ARG A 90 10.200 -4.526 -8.114 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.566 -5.888 -10.177 1.00 0.00 H new ATOM 0 HB3 ARG A 90 10.592 -4.827 -11.121 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.547 -5.453 -9.660 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.511 -6.551 -8.770 1.00 0.00 H new ATOM 0 HD2 ARG A 90 12.090 -6.752 -11.761 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.896 -7.697 -10.524 1.00 0.00 H new ATOM 0 HE ARG A 90 10.180 -8.078 -11.575 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.325 -8.901 -8.863 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.378 -10.335 -8.456 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.055 -9.909 -11.012 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.578 -10.890 -9.639 1.00 0.00 H new ATOM 1278 N SER A 91 11.333 -2.280 -10.275 1.00 0.00 N ATOM 1279 CA SER A 91 12.345 -1.234 -10.466 1.00 0.00 C ATOM 1280 C SER A 91 12.351 -0.196 -9.343 1.00 0.00 C ATOM 1281 O SER A 91 13.413 0.080 -8.786 1.00 0.00 O ATOM 1282 CB SER A 91 12.191 -0.528 -11.824 1.00 0.00 C ATOM 1283 OG SER A 91 12.399 -1.412 -12.920 1.00 0.00 O ATOM 0 H SER A 91 10.660 -2.348 -11.039 1.00 0.00 H new ATOM 0 HA SER A 91 13.303 -1.753 -10.444 1.00 0.00 H new ATOM 0 HB2 SER A 91 11.193 -0.094 -11.894 1.00 0.00 H new ATOM 0 HB3 SER A 91 12.902 0.296 -11.885 1.00 0.00 H new ATOM 0 HG SER A 91 11.623 -2.004 -13.015 1.00 0.00 H new ATOM 1289 N LYS A 92 11.189 0.333 -8.939 1.00 0.00 N ATOM 1290 CA LYS A 92 11.146 1.258 -7.801 1.00 0.00 C ATOM 1291 C LYS A 92 11.610 0.602 -6.487 1.00 0.00 C ATOM 1292 O LYS A 92 12.445 1.177 -5.787 1.00 0.00 O ATOM 1293 CB LYS A 92 9.742 1.870 -7.678 1.00 0.00 C ATOM 1294 CG LYS A 92 9.352 2.835 -8.813 1.00 0.00 C ATOM 1295 CD LYS A 92 10.390 3.943 -9.073 1.00 0.00 C ATOM 1296 CE LYS A 92 9.812 5.172 -9.797 1.00 0.00 C ATOM 1297 NZ LYS A 92 9.318 4.875 -11.169 1.00 0.00 N ATOM 0 H LYS A 92 10.285 0.142 -9.372 1.00 0.00 H new ATOM 0 HA LYS A 92 11.858 2.061 -7.993 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.012 1.062 -7.641 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.676 2.403 -6.729 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.208 2.263 -9.730 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.395 3.297 -8.571 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.817 4.260 -8.121 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.206 3.532 -9.667 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.993 5.581 -9.205 1.00 0.00 H new ATOM 0 HE3 LYS A 92 10.579 5.944 -9.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.943 5.745 -11.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 10.101 4.512 -11.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 8.564 4.160 -11.119 1.00 0.00 H new ATOM 1311 N ILE A 93 11.151 -0.612 -6.158 1.00 0.00 N ATOM 1312 CA ILE A 93 11.518 -1.275 -4.882 1.00 0.00 C ATOM 1313 C ILE A 93 12.918 -1.926 -4.880 1.00 0.00 C ATOM 1314 O ILE A 93 13.400 -2.331 -3.822 1.00 0.00 O ATOM 1315 CB ILE A 93 10.398 -2.209 -4.367 1.00 0.00 C ATOM 1316 CG1 ILE A 93 10.149 -3.515 -5.147 1.00 0.00 C ATOM 1317 CG2 ILE A 93 9.079 -1.422 -4.237 1.00 0.00 C ATOM 1318 CD1 ILE A 93 11.238 -4.590 -5.043 1.00 0.00 C ATOM 0 H ILE A 93 10.527 -1.160 -6.749 1.00 0.00 H new ATOM 0 HA ILE A 93 11.608 -0.471 -4.152 1.00 0.00 H new ATOM 0 HB ILE A 93 10.773 -2.551 -3.402 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.210 -3.946 -4.801 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.016 -3.264 -6.199 1.00 0.00 H new ATOM 0 HG21 ILE A 93 8.294 -2.085 -3.874 1.00 0.00 H new ATOM 0 HG22 ILE A 93 9.214 -0.600 -3.534 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.796 -1.024 -5.211 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.949 -5.459 -5.633 1.00 0.00 H new ATOM 0 HD12 ILE A 93 12.180 -4.192 -5.421 1.00 0.00 H new ATOM 0 HD13 ILE A 93 11.361 -4.884 -4.001 1.00 0.00 H new ATOM 1330 N GLU A 94 13.575 -2.013 -6.039 1.00 0.00 N ATOM 1331 CA GLU A 94 14.983 -2.399 -6.179 1.00 0.00 C ATOM 1332 C GLU A 94 15.913 -1.175 -6.066 1.00 0.00 C ATOM 1333 O GLU A 94 16.944 -1.242 -5.392 1.00 0.00 O ATOM 1334 CB GLU A 94 15.171 -3.118 -7.527 1.00 0.00 C ATOM 1335 CG GLU A 94 16.590 -3.659 -7.730 1.00 0.00 C ATOM 1336 CD GLU A 94 16.680 -4.465 -9.034 1.00 0.00 C ATOM 1337 OE1 GLU A 94 16.885 -3.860 -10.113 1.00 0.00 O ATOM 1338 OE2 GLU A 94 16.555 -5.712 -8.991 1.00 0.00 O ATOM 0 H GLU A 94 13.129 -1.811 -6.934 1.00 0.00 H new ATOM 0 HA GLU A 94 15.252 -3.076 -5.368 1.00 0.00 H new ATOM 0 HB2 GLU A 94 14.462 -3.943 -7.593 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.933 -2.427 -8.336 1.00 0.00 H new ATOM 0 HG2 GLU A 94 17.300 -2.832 -7.758 1.00 0.00 H new ATOM 0 HG3 GLU A 94 16.869 -4.290 -6.886 1.00 0.00 H new ATOM 1345 N LYS A 95 15.560 -0.045 -6.697 1.00 0.00 N ATOM 1346 CA LYS A 95 16.360 1.187 -6.665 1.00 0.00 C ATOM 1347 C LYS A 95 16.301 1.894 -5.295 1.00 0.00 C ATOM 1348 O LYS A 95 17.339 2.289 -4.756 1.00 0.00 O ATOM 1349 CB LYS A 95 15.901 2.091 -7.827 1.00 0.00 C ATOM 1350 CG LYS A 95 16.794 3.334 -7.977 1.00 0.00 C ATOM 1351 CD LYS A 95 16.480 4.160 -9.235 1.00 0.00 C ATOM 1352 CE LYS A 95 16.864 3.414 -10.524 1.00 0.00 C ATOM 1353 NZ LYS A 95 16.684 4.267 -11.732 1.00 0.00 N ATOM 0 H LYS A 95 14.705 0.039 -7.247 1.00 0.00 H new ATOM 0 HA LYS A 95 17.413 0.941 -6.800 1.00 0.00 H new ATOM 0 HB2 LYS A 95 15.913 1.521 -8.756 1.00 0.00 H new ATOM 0 HB3 LYS A 95 14.870 2.403 -7.658 1.00 0.00 H new ATOM 0 HG2 LYS A 95 16.676 3.966 -7.097 1.00 0.00 H new ATOM 0 HG3 LYS A 95 17.838 3.021 -8.007 1.00 0.00 H new ATOM 0 HD2 LYS A 95 15.416 4.398 -9.257 1.00 0.00 H new ATOM 0 HD3 LYS A 95 17.017 5.107 -9.190 1.00 0.00 H new ATOM 0 HE2 LYS A 95 17.902 3.089 -10.460 1.00 0.00 H new ATOM 0 HE3 LYS A 95 16.254 2.516 -10.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 16.953 3.729 -12.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 15.688 4.557 -11.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 17.285 5.112 -11.653 1.00 0.00 H new ATOM 1367 N ASN A 96 15.108 2.024 -4.707 1.00 0.00 N ATOM 1368 CA ASN A 96 14.916 2.465 -3.317 1.00 0.00 C ATOM 1369 C ASN A 96 15.182 1.304 -2.324 1.00 0.00 C ATOM 1370 O ASN A 96 15.003 0.141 -2.700 1.00 0.00 O ATOM 1371 CB ASN A 96 13.496 3.046 -3.162 1.00 0.00 C ATOM 1372 CG ASN A 96 13.294 4.306 -4.007 1.00 0.00 C ATOM 1373 OD1 ASN A 96 12.750 4.270 -5.103 1.00 0.00 O ATOM 1374 ND2 ASN A 96 13.748 5.455 -3.532 1.00 0.00 N ATOM 0 H ASN A 96 14.232 1.823 -5.189 1.00 0.00 H new ATOM 0 HA ASN A 96 15.637 3.247 -3.079 1.00 0.00 H new ATOM 0 HB2 ASN A 96 12.763 2.293 -3.453 1.00 0.00 H new ATOM 0 HB3 ASN A 96 13.313 3.280 -2.113 1.00 0.00 H new ATOM 0 HD21 ASN A 96 13.644 6.310 -4.079 1.00 0.00 H new ATOM 0 HD22 ASN A 96 14.201 5.486 -2.619 1.00 0.00 H new ATOM 1381 N PRO A 97 15.582 1.585 -1.064 1.00 0.00 N ATOM 1382 CA PRO A 97 15.841 0.550 -0.058 1.00 0.00 C ATOM 1383 C PRO A 97 14.557 -0.136 0.440 1.00 0.00 C ATOM 1384 O PRO A 97 14.612 -1.280 0.891 1.00 0.00 O ATOM 1385 CB PRO A 97 16.575 1.269 1.079 1.00 0.00 C ATOM 1386 CG PRO A 97 16.060 2.705 0.988 1.00 0.00 C ATOM 1387 CD PRO A 97 15.885 2.904 -0.517 1.00 0.00 C ATOM 0 HA PRO A 97 16.433 -0.262 -0.481 1.00 0.00 H new ATOM 0 HB2 PRO A 97 16.349 0.823 2.047 1.00 0.00 H new ATOM 0 HB3 PRO A 97 17.656 1.222 0.951 1.00 0.00 H new ATOM 0 HG2 PRO A 97 15.120 2.833 1.525 1.00 0.00 H new ATOM 0 HG3 PRO A 97 16.769 3.417 1.411 1.00 0.00 H new ATOM 0 HD2 PRO A 97 15.080 3.608 -0.727 1.00 0.00 H new ATOM 0 HD3 PRO A 97 16.791 3.313 -0.964 1.00 0.00 H new ATOM 1395 N LYS A 98 13.397 0.531 0.338 1.00 0.00 N ATOM 1396 CA LYS A 98 12.096 -0.040 0.709 1.00 0.00 C ATOM 1397 C LYS A 98 11.688 -1.186 -0.248 1.00 0.00 C ATOM 1398 O LYS A 98 11.609 -0.986 -1.460 1.00 0.00 O ATOM 1399 CB LYS A 98 11.067 1.103 0.766 1.00 0.00 C ATOM 1400 CG LYS A 98 9.686 0.690 1.298 1.00 0.00 C ATOM 1401 CD LYS A 98 9.665 0.173 2.755 1.00 0.00 C ATOM 1402 CE LYS A 98 9.419 -1.349 2.853 1.00 0.00 C ATOM 1403 NZ LYS A 98 9.091 -1.765 4.250 1.00 0.00 N ATOM 0 H LYS A 98 13.337 1.489 -0.007 1.00 0.00 H new ATOM 0 HA LYS A 98 12.151 -0.502 1.695 1.00 0.00 H new ATOM 0 HB2 LYS A 98 11.462 1.900 1.396 1.00 0.00 H new ATOM 0 HB3 LYS A 98 10.948 1.518 -0.235 1.00 0.00 H new ATOM 0 HG2 LYS A 98 9.016 1.547 1.224 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.283 -0.087 0.649 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.614 0.413 3.233 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.887 0.698 3.309 1.00 0.00 H new ATOM 0 HE2 LYS A 98 8.602 -1.630 2.188 1.00 0.00 H new ATOM 0 HE3 LYS A 98 10.305 -1.884 2.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 9.132 -2.802 4.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.778 -1.344 4.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 8.134 -1.439 4.494 1.00 0.00 H new ATOM 1417 N GLN A 99 11.387 -2.372 0.299 1.00 0.00 N ATOM 1418 CA GLN A 99 11.098 -3.615 -0.433 1.00 0.00 C ATOM 1419 C GLN A 99 9.877 -4.343 0.177 1.00 0.00 C ATOM 1420 O GLN A 99 9.593 -4.135 1.361 1.00 0.00 O ATOM 1421 CB GLN A 99 12.376 -4.485 -0.458 1.00 0.00 C ATOM 1422 CG GLN A 99 12.865 -4.964 0.922 1.00 0.00 C ATOM 1423 CD GLN A 99 14.215 -5.682 0.825 1.00 0.00 C ATOM 1424 OE1 GLN A 99 14.302 -6.904 0.792 1.00 0.00 O ATOM 1425 NE2 GLN A 99 15.317 -4.958 0.760 1.00 0.00 N ATOM 0 H GLN A 99 11.336 -2.498 1.310 1.00 0.00 H new ATOM 0 HA GLN A 99 10.823 -3.393 -1.464 1.00 0.00 H new ATOM 0 HB2 GLN A 99 12.191 -5.358 -1.084 1.00 0.00 H new ATOM 0 HB3 GLN A 99 13.175 -3.916 -0.933 1.00 0.00 H new ATOM 0 HG2 GLN A 99 12.954 -4.110 1.593 1.00 0.00 H new ATOM 0 HG3 GLN A 99 12.125 -5.636 1.357 1.00 0.00 H new ATOM 0 HE21 GLN A 99 15.261 -3.940 0.786 1.00 0.00 H new ATOM 0 HE22 GLN A 99 16.225 -5.417 0.683 1.00 0.00 H new ATOM 1434 N PRO A 100 9.137 -5.165 -0.600 1.00 0.00 N ATOM 1435 CA PRO A 100 7.939 -5.865 -0.138 1.00 0.00 C ATOM 1436 C PRO A 100 8.275 -7.089 0.721 1.00 0.00 C ATOM 1437 O PRO A 100 9.357 -7.668 0.629 1.00 0.00 O ATOM 1438 CB PRO A 100 7.194 -6.271 -1.416 1.00 0.00 C ATOM 1439 CG PRO A 100 8.323 -6.496 -2.417 1.00 0.00 C ATOM 1440 CD PRO A 100 9.330 -5.418 -2.025 1.00 0.00 C ATOM 0 HA PRO A 100 7.335 -5.226 0.506 1.00 0.00 H new ATOM 0 HB2 PRO A 100 6.601 -7.173 -1.268 1.00 0.00 H new ATOM 0 HB3 PRO A 100 6.509 -5.491 -1.749 1.00 0.00 H new ATOM 0 HG2 PRO A 100 8.746 -7.497 -2.333 1.00 0.00 H new ATOM 0 HG3 PRO A 100 7.983 -6.379 -3.446 1.00 0.00 H new ATOM 0 HD2 PRO A 100 10.349 -5.749 -2.225 1.00 0.00 H new ATOM 0 HD3 PRO A 100 9.170 -4.509 -2.605 1.00 0.00 H new ATOM 1448 N GLN A 101 7.286 -7.507 1.517 1.00 0.00 N ATOM 1449 CA GLN A 101 7.297 -8.783 2.242 1.00 0.00 C ATOM 1450 C GLN A 101 5.919 -9.468 2.237 1.00 0.00 C ATOM 1451 O GLN A 101 5.869 -10.697 2.221 1.00 0.00 O ATOM 1452 CB GLN A 101 7.856 -8.586 3.664 1.00 0.00 C ATOM 1453 CG GLN A 101 7.135 -7.524 4.516 1.00 0.00 C ATOM 1454 CD GLN A 101 7.675 -7.476 5.948 1.00 0.00 C ATOM 1455 OE1 GLN A 101 7.037 -7.911 6.899 1.00 0.00 O ATOM 1456 NE2 GLN A 101 8.869 -6.959 6.165 1.00 0.00 N ATOM 0 H GLN A 101 6.441 -6.960 1.679 1.00 0.00 H new ATOM 0 HA GLN A 101 7.964 -9.465 1.716 1.00 0.00 H new ATOM 0 HB2 GLN A 101 7.811 -9.540 4.189 1.00 0.00 H new ATOM 0 HB3 GLN A 101 8.909 -8.313 3.588 1.00 0.00 H new ATOM 0 HG2 GLN A 101 7.252 -6.545 4.051 1.00 0.00 H new ATOM 0 HG3 GLN A 101 6.067 -7.741 4.538 1.00 0.00 H new ATOM 0 HE21 GLN A 101 9.415 -6.592 5.386 1.00 0.00 H new ATOM 0 HE22 GLN A 101 9.246 -6.926 7.112 1.00 0.00 H new ATOM 1465 N TYR A 102 4.804 -8.713 2.191 1.00 0.00 N ATOM 1466 CA TYR A 102 3.451 -9.309 2.087 1.00 0.00 C ATOM 1467 C TYR A 102 2.904 -9.428 0.650 1.00 0.00 C ATOM 1468 O TYR A 102 1.837 -10.011 0.456 1.00 0.00 O ATOM 1469 CB TYR A 102 2.482 -8.560 3.022 1.00 0.00 C ATOM 1470 CG TYR A 102 2.329 -9.157 4.415 1.00 0.00 C ATOM 1471 CD1 TYR A 102 3.459 -9.517 5.179 1.00 0.00 C ATOM 1472 CD2 TYR A 102 1.041 -9.356 4.953 1.00 0.00 C ATOM 1473 CE1 TYR A 102 3.308 -10.066 6.466 1.00 0.00 C ATOM 1474 CE2 TYR A 102 0.881 -9.905 6.240 1.00 0.00 C ATOM 1475 CZ TYR A 102 2.016 -10.260 7.004 1.00 0.00 C ATOM 1476 OH TYR A 102 1.858 -10.787 8.251 1.00 0.00 O ATOM 0 H TYR A 102 4.810 -7.694 2.224 1.00 0.00 H new ATOM 0 HA TYR A 102 3.541 -10.345 2.413 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.823 -7.530 3.122 1.00 0.00 H new ATOM 0 HB3 TYR A 102 1.500 -8.526 2.549 1.00 0.00 H new ATOM 0 HD1 TYR A 102 4.449 -9.370 4.773 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.171 -9.085 4.374 1.00 0.00 H new ATOM 0 HE1 TYR A 102 4.180 -10.339 7.042 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.110 -10.055 6.643 1.00 0.00 H new ATOM 0 HH TYR A 102 0.903 -10.849 8.461 1.00 0.00 H new ATOM 1486 N ILE A 103 3.619 -8.925 -0.368 1.00 0.00 N ATOM 1487 CA ILE A 103 3.294 -9.204 -1.783 1.00 0.00 C ATOM 1488 C ILE A 103 4.055 -10.467 -2.240 1.00 0.00 C ATOM 1489 O ILE A 103 5.271 -10.554 -2.053 1.00 0.00 O ATOM 1490 CB ILE A 103 3.639 -8.002 -2.705 1.00 0.00 C ATOM 1491 CG1 ILE A 103 2.830 -6.742 -2.318 1.00 0.00 C ATOM 1492 CG2 ILE A 103 3.370 -8.361 -4.179 1.00 0.00 C ATOM 1493 CD1 ILE A 103 3.179 -5.473 -3.110 1.00 0.00 C ATOM 0 H ILE A 103 4.430 -8.320 -0.241 1.00 0.00 H new ATOM 0 HA ILE A 103 2.219 -9.370 -1.861 1.00 0.00 H new ATOM 0 HB ILE A 103 4.698 -7.781 -2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 103 1.770 -6.955 -2.453 1.00 0.00 H new ATOM 0 HG13 ILE A 103 2.983 -6.543 -1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.617 -7.509 -4.812 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.985 -9.214 -4.464 1.00 0.00 H new ATOM 0 HG23 ILE A 103 2.317 -8.614 -4.306 1.00 0.00 H new ATOM 0 HD11 ILE A 103 2.558 -4.646 -2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 103 4.230 -5.226 -2.957 1.00 0.00 H new ATOM 0 HD13 ILE A 103 2.997 -5.645 -4.171 1.00 0.00 H new ATOM 1505 N ILE A 104 3.363 -11.414 -2.883 1.00 0.00 N ATOM 1506 CA ILE A 104 3.927 -12.641 -3.494 1.00 0.00 C ATOM 1507 C ILE A 104 3.529 -12.741 -4.981 1.00 0.00 C ATOM 1508 O ILE A 104 2.366 -12.554 -5.325 1.00 0.00 O ATOM 1509 CB ILE A 104 3.435 -13.883 -2.702 1.00 0.00 C ATOM 1510 CG1 ILE A 104 3.814 -13.856 -1.200 1.00 0.00 C ATOM 1511 CG2 ILE A 104 3.916 -15.200 -3.341 1.00 0.00 C ATOM 1512 CD1 ILE A 104 5.317 -13.926 -0.888 1.00 0.00 C ATOM 0 H ILE A 104 2.352 -11.352 -3.001 1.00 0.00 H new ATOM 0 HA ILE A 104 5.015 -12.599 -3.446 1.00 0.00 H new ATOM 0 HB ILE A 104 2.347 -13.836 -2.758 1.00 0.00 H new ATOM 0 HG12 ILE A 104 3.413 -12.943 -0.760 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.320 -14.692 -0.705 1.00 0.00 H new ATOM 0 HG21 ILE A 104 3.550 -16.043 -2.756 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.533 -15.271 -4.359 1.00 0.00 H new ATOM 0 HG23 ILE A 104 5.006 -15.218 -3.361 1.00 0.00 H new ATOM 0 HD11 ILE A 104 5.466 -13.900 0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 104 5.729 -14.852 -1.289 1.00 0.00 H new ATOM 0 HD13 ILE A 104 5.823 -13.076 -1.345 1.00 0.00 H new ATOM 1524 N SER A 105 4.452 -13.068 -5.882 1.00 0.00 N ATOM 1525 CA SER A 105 4.181 -13.262 -7.312 1.00 0.00 C ATOM 1526 C SER A 105 3.534 -14.635 -7.586 1.00 0.00 C ATOM 1527 O SER A 105 3.983 -15.657 -7.060 1.00 0.00 O ATOM 1528 CB SER A 105 5.487 -13.140 -8.123 1.00 0.00 C ATOM 1529 OG SER A 105 6.174 -11.913 -7.873 1.00 0.00 O ATOM 0 H SER A 105 5.432 -13.210 -5.637 1.00 0.00 H new ATOM 0 HA SER A 105 3.481 -12.486 -7.621 1.00 0.00 H new ATOM 0 HB2 SER A 105 6.142 -13.976 -7.878 1.00 0.00 H new ATOM 0 HB3 SER A 105 5.259 -13.215 -9.186 1.00 0.00 H new ATOM 0 HG SER A 105 6.995 -11.883 -8.407 1.00 0.00 H new ATOM 1535 N VAL A 106 2.494 -14.667 -8.429 1.00 0.00 N ATOM 1536 CA VAL A 106 1.694 -15.870 -8.760 1.00 0.00 C ATOM 1537 C VAL A 106 1.610 -16.051 -10.286 1.00 0.00 C ATOM 1538 O VAL A 106 0.598 -15.740 -10.922 1.00 0.00 O ATOM 1539 CB VAL A 106 0.286 -15.843 -8.101 1.00 0.00 C ATOM 1540 CG1 VAL A 106 -0.430 -17.197 -8.264 1.00 0.00 C ATOM 1541 CG2 VAL A 106 0.352 -15.529 -6.595 1.00 0.00 C ATOM 0 H VAL A 106 2.170 -13.833 -8.919 1.00 0.00 H new ATOM 0 HA VAL A 106 2.206 -16.736 -8.341 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.265 -15.054 -8.612 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.412 -17.148 -7.793 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.546 -17.422 -9.324 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.161 -17.981 -7.790 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.656 -15.521 -6.180 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.946 -16.291 -6.090 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.813 -14.552 -6.447 1.00 0.00 H new ATOM 1601 N GLY A 110 -1.328 -13.466 -11.525 1.00 0.00 N ATOM 1602 CA GLY A 110 -1.112 -12.127 -10.975 1.00 0.00 C ATOM 1603 C GLY A 110 -0.150 -12.119 -9.798 1.00 0.00 C ATOM 1604 O GLY A 110 0.861 -12.822 -9.799 1.00 0.00 O ATOM 0 HA2 GLY A 110 -0.725 -11.476 -11.759 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -2.069 -11.711 -10.659 1.00 0.00 H new ATOM 1608 N TYR A 111 -0.453 -11.311 -8.786 1.00 0.00 N ATOM 1609 CA TYR A 111 0.370 -11.179 -7.582 1.00 0.00 C ATOM 1610 C TYR A 111 -0.477 -10.962 -6.320 1.00 0.00 C ATOM 1611 O TYR A 111 -1.301 -10.055 -6.230 1.00 0.00 O ATOM 1612 CB TYR A 111 1.500 -10.152 -7.787 1.00 0.00 C ATOM 1613 CG TYR A 111 1.150 -8.731 -8.216 1.00 0.00 C ATOM 1614 CD1 TYR A 111 0.545 -8.465 -9.464 1.00 0.00 C ATOM 1615 CD2 TYR A 111 1.571 -7.650 -7.418 1.00 0.00 C ATOM 1616 CE1 TYR A 111 0.339 -7.143 -9.897 1.00 0.00 C ATOM 1617 CE2 TYR A 111 1.397 -6.325 -7.854 1.00 0.00 C ATOM 1618 CZ TYR A 111 0.773 -6.068 -9.092 1.00 0.00 C ATOM 1619 OH TYR A 111 0.576 -4.785 -9.493 1.00 0.00 O ATOM 0 H TYR A 111 -1.286 -10.722 -8.776 1.00 0.00 H new ATOM 0 HA TYR A 111 0.874 -12.129 -7.406 1.00 0.00 H new ATOM 0 HB2 TYR A 111 2.054 -10.084 -6.851 1.00 0.00 H new ATOM 0 HB3 TYR A 111 2.182 -10.560 -8.533 1.00 0.00 H new ATOM 0 HD1 TYR A 111 0.237 -9.287 -10.093 1.00 0.00 H new ATOM 0 HD2 TYR A 111 2.033 -7.841 -6.460 1.00 0.00 H new ATOM 0 HE1 TYR A 111 -0.149 -6.951 -10.841 1.00 0.00 H new ATOM 0 HE2 TYR A 111 1.741 -5.505 -7.241 1.00 0.00 H new ATOM 0 HH TYR A 111 -0.137 -4.380 -8.956 1.00 0.00 H new ATOM 1629 N LYS A 112 -0.306 -11.868 -5.360 1.00 0.00 N ATOM 1630 CA LYS A 112 -1.090 -11.976 -4.132 1.00 0.00 C ATOM 1631 C LYS A 112 -0.625 -10.970 -3.071 1.00 0.00 C ATOM 1632 O LYS A 112 0.573 -10.740 -2.905 1.00 0.00 O ATOM 1633 CB LYS A 112 -1.000 -13.436 -3.647 1.00 0.00 C ATOM 1634 CG LYS A 112 -1.896 -13.748 -2.438 1.00 0.00 C ATOM 1635 CD LYS A 112 -1.815 -15.238 -2.077 1.00 0.00 C ATOM 1636 CE LYS A 112 -2.706 -15.544 -0.865 1.00 0.00 C ATOM 1637 NZ LYS A 112 -2.647 -16.982 -0.483 1.00 0.00 N ATOM 0 H LYS A 112 0.419 -12.582 -5.421 1.00 0.00 H new ATOM 0 HA LYS A 112 -2.133 -11.723 -4.324 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.272 -14.099 -4.469 1.00 0.00 H new ATOM 0 HB3 LYS A 112 0.035 -13.659 -3.387 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -1.588 -13.144 -1.585 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -2.928 -13.478 -2.664 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -2.128 -15.843 -2.928 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -0.783 -15.509 -1.855 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -2.393 -14.931 -0.020 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -3.736 -15.271 -1.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -3.262 -17.148 0.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -2.970 -17.567 -1.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -1.668 -17.237 -0.241 1.00 0.00 H new ATOM 1651 N LEU A 113 -1.573 -10.419 -2.314 1.00 0.00 N ATOM 1652 CA LEU A 113 -1.354 -9.552 -1.154 1.00 0.00 C ATOM 1653 C LEU A 113 -2.417 -9.876 -0.094 1.00 0.00 C ATOM 1654 O LEU A 113 -3.477 -10.412 -0.409 1.00 0.00 O ATOM 1655 CB LEU A 113 -1.390 -8.083 -1.643 1.00 0.00 C ATOM 1656 CG LEU A 113 -1.292 -6.972 -0.572 1.00 0.00 C ATOM 1657 CD1 LEU A 113 -0.016 -7.058 0.276 1.00 0.00 C ATOM 1658 CD2 LEU A 113 -1.345 -5.600 -1.255 1.00 0.00 C ATOM 0 H LEU A 113 -2.564 -10.572 -2.501 1.00 0.00 H new ATOM 0 HA LEU A 113 -0.383 -9.715 -0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -0.571 -7.943 -2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -2.317 -7.935 -2.197 1.00 0.00 H new ATOM 0 HG LEU A 113 -2.137 -7.110 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.010 -6.250 1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 113 0.013 -8.017 0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.857 -6.969 -0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -1.276 -4.816 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.512 -5.508 -1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -2.285 -5.500 -1.798 1.00 0.00 H new ATOM 1670 N GLU A 114 -2.154 -9.523 1.159 1.00 0.00 N ATOM 1671 CA GLU A 114 -3.150 -9.579 2.240 1.00 0.00 C ATOM 1672 C GLU A 114 -3.055 -8.340 3.150 1.00 0.00 C ATOM 1673 O GLU A 114 -1.993 -7.721 3.273 1.00 0.00 O ATOM 1674 CB GLU A 114 -2.986 -10.897 3.017 1.00 0.00 C ATOM 1675 CG GLU A 114 -4.160 -11.214 3.950 1.00 0.00 C ATOM 1676 CD GLU A 114 -4.040 -12.637 4.518 1.00 0.00 C ATOM 1677 OE1 GLU A 114 -3.332 -12.834 5.535 1.00 0.00 O ATOM 1678 OE2 GLU A 114 -4.655 -13.572 3.953 1.00 0.00 O ATOM 0 H GLU A 114 -1.240 -9.187 1.463 1.00 0.00 H new ATOM 0 HA GLU A 114 -4.152 -9.562 1.812 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -2.868 -11.715 2.306 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -2.069 -10.850 3.605 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.185 -10.493 4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -5.099 -11.113 3.406 1.00 0.00 H new ATOM 1685 N TYR A 115 -4.191 -7.967 3.750 1.00 0.00 N ATOM 1686 CA TYR A 115 -4.356 -6.813 4.648 1.00 0.00 C ATOM 1687 C TYR A 115 -3.711 -7.003 6.042 1.00 0.00 C ATOM 1688 O TYR A 115 -3.337 -5.978 6.659 1.00 0.00 O ATOM 1689 CB TYR A 115 -5.852 -6.461 4.753 1.00 0.00 C ATOM 1690 CG TYR A 115 -6.761 -7.587 5.224 1.00 0.00 C ATOM 1691 CD1 TYR A 115 -6.948 -7.816 6.602 1.00 0.00 C ATOM 1692 CD2 TYR A 115 -7.422 -8.406 4.284 1.00 0.00 C ATOM 1693 CE1 TYR A 115 -7.780 -8.864 7.043 1.00 0.00 C ATOM 1694 CE2 TYR A 115 -8.251 -9.458 4.720 1.00 0.00 C ATOM 1695 CZ TYR A 115 -8.432 -9.692 6.101 1.00 0.00 C ATOM 1696 OH TYR A 115 -9.236 -10.712 6.513 1.00 0.00 O ATOM 1697 OXT TYR A 115 -3.580 -8.152 6.531 1.00 0.00 O ATOM 0 H TYR A 115 -5.061 -8.483 3.618 1.00 0.00 H new ATOM 0 HA TYR A 115 -3.812 -5.978 4.207 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -5.962 -5.619 5.437 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -6.197 -6.124 3.775 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -6.451 -7.185 7.324 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.292 -8.226 3.227 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -7.920 -9.035 8.100 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -8.749 -10.087 3.997 1.00 0.00 H new ATOM 0 HH TYR A 115 -9.603 -11.176 5.731 1.00 0.00 H new