USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 780 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 100 TYR OH : rot 164:sc= -0.657 USER MOD Set 1.2: A 104 ASN : amide:sc= 0.924 K(o=0.27,f=-1.3!) USER MOD Set 2.1: A 21 SER OG : rot 9:sc= -0.299 USER MOD Set 2.2: A 30 MET CE :methyl 171:sc= -0.0199 (180deg=-0.0579) USER MOD Set 2.3: A 32 LYS NZ :NH3+ -122:sc= -0.935 (180deg=-2.74!) USER MOD Single : A 5 GLN : amide:sc= -0.791 K(o=-0.79,f=-1.8!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -30:sc= -1.58! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -113:sc= 1.15 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc=0.000206 USER MOD Single : A 43 LYS NZ :NH3+ -142:sc= -0.0796 (180deg=-1.04) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0205 USER MOD Single : A 46 THR OG1 : rot 147:sc= 0.122 USER MOD Single : A 50 THR OG1 : rot -65:sc= 1.08 USER MOD Single : A 52 MET CE :methyl -166:sc= -0.0616 (180deg=-0.834) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -164:sc= -0.0126 (180deg=-0.268) USER MOD Single : A 69 LYS NZ :NH3+ -161:sc= -0.0353 (180deg=-0.358) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.402! C(o=-1.7!,f=-0.4!) USER MOD Single : A 76 THR OG1 : rot -140:sc= -0.179 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN :FLIP amide:sc= -2.93! C(o=-3.7!,f=-2.9!) USER MOD Single : A 86 SER OG : rot 180:sc= -0.628 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl 153:sc= -0.267 (180deg=-1.43!) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 9.589 3.154 7.680 1.00 0.00 N ATOM 21 CA ALA A 2 8.471 2.232 7.302 1.00 0.00 C ATOM 22 C ALA A 2 7.452 2.963 6.432 1.00 0.00 C ATOM 23 O ALA A 2 6.671 3.767 6.901 1.00 0.00 O ATOM 24 CB ALA A 2 7.789 1.697 8.564 1.00 0.00 C ATOM 0 HA ALA A 2 8.882 1.397 6.734 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.977 1.027 8.282 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.516 1.153 9.167 1.00 0.00 H new ATOM 0 HB3 ALA A 2 7.388 2.530 9.142 1.00 0.00 H new ATOM 30 N GLU A 3 7.457 2.688 5.155 1.00 0.00 N ATOM 31 CA GLU A 3 6.493 3.371 4.245 1.00 0.00 C ATOM 32 C GLU A 3 6.236 2.533 2.989 1.00 0.00 C ATOM 33 O GLU A 3 6.962 1.605 2.675 1.00 0.00 O ATOM 34 CB GLU A 3 7.056 4.739 3.847 1.00 0.00 C ATOM 35 CG GLU A 3 8.381 4.560 3.095 1.00 0.00 C ATOM 36 CD GLU A 3 8.967 5.935 2.762 1.00 0.00 C ATOM 37 OE1 GLU A 3 8.191 6.835 2.484 1.00 0.00 O ATOM 38 OE2 GLU A 3 10.179 6.064 2.787 1.00 0.00 O ATOM 0 H GLU A 3 8.085 2.022 4.704 1.00 0.00 H new ATOM 0 HA GLU A 3 5.546 3.496 4.770 1.00 0.00 H new ATOM 0 HB2 GLU A 3 6.340 5.268 3.218 1.00 0.00 H new ATOM 0 HB3 GLU A 3 7.212 5.350 4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 3 9.083 3.991 3.704 1.00 0.00 H new ATOM 0 HG3 GLU A 3 8.218 3.991 2.180 1.00 0.00 H new ATOM 45 N ILE A 4 5.201 2.874 2.269 1.00 0.00 N ATOM 46 CA ILE A 4 4.848 2.136 1.018 1.00 0.00 C ATOM 47 C ILE A 4 5.191 2.992 -0.195 1.00 0.00 C ATOM 48 O ILE A 4 4.800 4.141 -0.295 1.00 0.00 O ATOM 49 CB ILE A 4 3.343 1.827 1.012 1.00 0.00 C ATOM 50 CG1 ILE A 4 2.982 0.950 2.240 1.00 0.00 C ATOM 51 CG2 ILE A 4 2.976 1.093 -0.291 1.00 0.00 C ATOM 52 CD1 ILE A 4 2.504 1.833 3.395 1.00 0.00 C ATOM 0 H ILE A 4 4.574 3.645 2.498 1.00 0.00 H new ATOM 0 HA ILE A 4 5.413 1.205 0.978 1.00 0.00 H new ATOM 0 HB ILE A 4 2.780 2.758 1.068 1.00 0.00 H new ATOM 0 HG12 ILE A 4 2.203 0.237 1.971 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.851 0.370 2.551 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.908 0.873 -0.296 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.221 1.724 -1.145 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.539 0.162 -0.355 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.253 1.207 4.252 1.00 0.00 H new ATOM 0 HD12 ILE A 4 3.296 2.529 3.673 1.00 0.00 H new ATOM 0 HD13 ILE A 4 1.622 2.393 3.084 1.00 0.00 H new ATOM 64 N GLN A 5 5.920 2.437 -1.122 1.00 0.00 N ATOM 65 CA GLN A 5 6.295 3.207 -2.344 1.00 0.00 C ATOM 66 C GLN A 5 6.452 2.249 -3.523 1.00 0.00 C ATOM 67 O GLN A 5 7.116 1.233 -3.438 1.00 0.00 O ATOM 68 CB GLN A 5 7.611 3.958 -2.102 1.00 0.00 C ATOM 69 CG GLN A 5 8.615 3.045 -1.396 1.00 0.00 C ATOM 70 CD GLN A 5 9.924 3.807 -1.172 1.00 0.00 C ATOM 71 OE1 GLN A 5 10.014 4.980 -1.471 1.00 0.00 O ATOM 72 NE2 GLN A 5 10.948 3.186 -0.655 1.00 0.00 N ATOM 0 H GLN A 5 6.274 1.481 -1.087 1.00 0.00 H new ATOM 0 HA GLN A 5 5.511 3.930 -2.570 1.00 0.00 H new ATOM 0 HB2 GLN A 5 8.024 4.300 -3.051 1.00 0.00 H new ATOM 0 HB3 GLN A 5 7.426 4.845 -1.497 1.00 0.00 H new ATOM 0 HG2 GLN A 5 8.209 2.709 -0.442 1.00 0.00 H new ATOM 0 HG3 GLN A 5 8.798 2.154 -1.997 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.873 2.200 -0.404 1.00 0.00 H new ATOM 0 HE22 GLN A 5 11.824 3.686 -0.502 1.00 0.00 H new ATOM 81 N PHE A 6 5.843 2.578 -4.628 1.00 0.00 N ATOM 82 CA PHE A 6 5.942 1.712 -5.835 1.00 0.00 C ATOM 83 C PHE A 6 7.398 1.671 -6.294 1.00 0.00 C ATOM 84 O PHE A 6 7.931 0.632 -6.628 1.00 0.00 O ATOM 85 CB PHE A 6 5.079 2.311 -6.948 1.00 0.00 C ATOM 86 CG PHE A 6 3.632 2.310 -6.514 1.00 0.00 C ATOM 87 CD1 PHE A 6 2.874 1.138 -6.614 1.00 0.00 C ATOM 88 CD2 PHE A 6 3.052 3.479 -6.006 1.00 0.00 C ATOM 89 CE1 PHE A 6 1.535 1.134 -6.207 1.00 0.00 C ATOM 90 CE2 PHE A 6 1.713 3.476 -5.599 1.00 0.00 C ATOM 91 CZ PHE A 6 0.954 2.302 -5.700 1.00 0.00 C ATOM 0 H PHE A 6 5.276 3.417 -4.747 1.00 0.00 H new ATOM 0 HA PHE A 6 5.598 0.704 -5.604 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.404 3.328 -7.168 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.196 1.734 -7.865 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.322 0.237 -7.005 1.00 0.00 H new ATOM 0 HD2 PHE A 6 3.638 4.383 -5.928 1.00 0.00 H new ATOM 0 HE1 PHE A 6 0.950 0.229 -6.284 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.265 4.377 -5.208 1.00 0.00 H new ATOM 0 HZ PHE A 6 -0.079 2.299 -5.386 1.00 0.00 H new ATOM 101 N SER A 7 8.044 2.810 -6.307 1.00 0.00 N ATOM 102 CA SER A 7 9.478 2.882 -6.735 1.00 0.00 C ATOM 103 C SER A 7 10.326 3.408 -5.575 1.00 0.00 C ATOM 104 O SER A 7 10.116 4.493 -5.068 1.00 0.00 O ATOM 105 CB SER A 7 9.605 3.807 -7.941 1.00 0.00 C ATOM 106 OG SER A 7 9.007 3.182 -9.069 1.00 0.00 O ATOM 0 H SER A 7 7.635 3.704 -6.036 1.00 0.00 H new ATOM 0 HA SER A 7 9.830 1.889 -7.014 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.118 4.761 -7.737 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.655 4.022 -8.142 1.00 0.00 H new ATOM 0 HG SER A 7 9.083 3.771 -9.848 1.00 0.00 H new ATOM 112 N LYS A 8 11.276 2.624 -5.150 1.00 0.00 N ATOM 113 CA LYS A 8 12.153 3.025 -4.014 1.00 0.00 C ATOM 114 C LYS A 8 13.027 4.219 -4.391 1.00 0.00 C ATOM 115 O LYS A 8 13.580 4.294 -5.472 1.00 0.00 O ATOM 116 CB LYS A 8 13.041 1.840 -3.627 1.00 0.00 C ATOM 117 CG LYS A 8 14.047 1.547 -4.749 1.00 0.00 C ATOM 118 CD LYS A 8 14.767 0.219 -4.462 1.00 0.00 C ATOM 119 CE LYS A 8 15.674 0.368 -3.236 1.00 0.00 C ATOM 120 NZ LYS A 8 16.633 -0.771 -3.184 1.00 0.00 N ATOM 0 H LYS A 8 11.486 1.708 -5.547 1.00 0.00 H new ATOM 0 HA LYS A 8 11.525 3.316 -3.172 1.00 0.00 H new ATOM 0 HB2 LYS A 8 13.571 2.060 -2.701 1.00 0.00 H new ATOM 0 HB3 LYS A 8 12.426 0.960 -3.441 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.532 1.493 -5.708 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.772 2.357 -4.822 1.00 0.00 H new ATOM 0 HD2 LYS A 8 14.036 -0.571 -4.290 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.358 -0.078 -5.328 1.00 0.00 H new ATOM 0 HE2 LYS A 8 16.217 1.312 -3.285 1.00 0.00 H new ATOM 0 HE3 LYS A 8 15.073 0.393 -2.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.248 -0.669 -2.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.106 -1.665 -3.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.215 -0.775 -4.046 1.00 0.00 H new ATOM 134 N GLY A 9 13.152 5.155 -3.489 1.00 0.00 N ATOM 135 CA GLY A 9 13.985 6.369 -3.744 1.00 0.00 C ATOM 136 C GLY A 9 13.065 7.549 -4.046 1.00 0.00 C ATOM 137 O GLY A 9 13.478 8.693 -4.041 1.00 0.00 O ATOM 0 H GLY A 9 12.706 5.131 -2.572 1.00 0.00 H new ATOM 0 HA2 GLY A 9 14.606 6.589 -2.876 1.00 0.00 H new ATOM 0 HA3 GLY A 9 14.660 6.193 -4.582 1.00 0.00 H new ATOM 141 N VAL A 10 11.814 7.276 -4.310 1.00 0.00 N ATOM 142 CA VAL A 10 10.840 8.370 -4.618 1.00 0.00 C ATOM 143 C VAL A 10 9.551 8.174 -3.824 1.00 0.00 C ATOM 144 O VAL A 10 9.294 7.120 -3.275 1.00 0.00 O ATOM 145 CB VAL A 10 10.520 8.366 -6.113 1.00 0.00 C ATOM 146 CG1 VAL A 10 11.756 8.807 -6.895 1.00 0.00 C ATOM 147 CG2 VAL A 10 10.119 6.956 -6.552 1.00 0.00 C ATOM 0 H VAL A 10 11.420 6.335 -4.326 1.00 0.00 H new ATOM 0 HA VAL A 10 11.286 9.325 -4.339 1.00 0.00 H new ATOM 0 HB VAL A 10 9.696 9.052 -6.308 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.531 8.805 -7.962 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.042 9.812 -6.586 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.577 8.118 -6.696 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.892 6.958 -7.618 1.00 0.00 H new ATOM 0 HG22 VAL A 10 10.941 6.267 -6.357 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.238 6.638 -5.994 1.00 0.00 H new ATOM 157 N ALA A 11 8.749 9.202 -3.760 1.00 0.00 N ATOM 158 CA ALA A 11 7.461 9.131 -3.008 1.00 0.00 C ATOM 159 C ALA A 11 7.734 8.728 -1.557 1.00 0.00 C ATOM 160 O ALA A 11 7.152 7.799 -1.034 1.00 0.00 O ATOM 161 CB ALA A 11 6.525 8.119 -3.675 1.00 0.00 C ATOM 0 H ALA A 11 8.934 10.102 -4.203 1.00 0.00 H new ATOM 0 HA ALA A 11 6.981 10.110 -3.018 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.587 8.072 -3.122 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.326 8.429 -4.701 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.995 7.135 -3.677 1.00 0.00 H new ATOM 167 N GLU A 12 8.622 9.431 -0.907 1.00 0.00 N ATOM 168 CA GLU A 12 8.950 9.106 0.509 1.00 0.00 C ATOM 169 C GLU A 12 7.840 9.601 1.435 1.00 0.00 C ATOM 170 O GLU A 12 6.909 10.257 1.014 1.00 0.00 O ATOM 171 CB GLU A 12 10.279 9.767 0.900 1.00 0.00 C ATOM 172 CG GLU A 12 10.175 11.292 0.770 1.00 0.00 C ATOM 173 CD GLU A 12 11.522 11.931 1.129 1.00 0.00 C ATOM 174 OE1 GLU A 12 12.539 11.389 0.726 1.00 0.00 O ATOM 175 OE2 GLU A 12 11.513 12.947 1.804 1.00 0.00 O ATOM 0 H GLU A 12 9.136 10.220 -1.299 1.00 0.00 H new ATOM 0 HA GLU A 12 9.040 8.024 0.609 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.538 9.500 1.924 1.00 0.00 H new ATOM 0 HB3 GLU A 12 11.080 9.395 0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 12 9.892 11.562 -0.247 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.394 11.671 1.429 1.00 0.00 H new ATOM 182 N THR A 13 7.950 9.276 2.695 1.00 0.00 N ATOM 183 CA THR A 13 6.925 9.703 3.699 1.00 0.00 C ATOM 184 C THR A 13 5.532 9.242 3.257 1.00 0.00 C ATOM 185 O THR A 13 5.083 8.162 3.589 1.00 0.00 O ATOM 186 CB THR A 13 6.930 11.234 3.846 1.00 0.00 C ATOM 187 OG1 THR A 13 6.546 11.841 2.621 1.00 0.00 O ATOM 188 CG2 THR A 13 8.329 11.718 4.239 1.00 0.00 C ATOM 0 H THR A 13 8.717 8.725 3.079 1.00 0.00 H new ATOM 0 HA THR A 13 7.171 9.248 4.659 1.00 0.00 H new ATOM 0 HB THR A 13 6.220 11.514 4.625 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.812 11.266 1.873 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.323 12.803 4.341 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.617 11.266 5.188 1.00 0.00 H new ATOM 0 HG23 THR A 13 9.044 11.430 3.468 1.00 0.00 H new ATOM 196 N VAL A 14 4.853 10.068 2.515 1.00 0.00 N ATOM 197 CA VAL A 14 3.487 9.735 2.031 1.00 0.00 C ATOM 198 C VAL A 14 2.564 9.416 3.208 1.00 0.00 C ATOM 199 O VAL A 14 2.996 9.018 4.272 1.00 0.00 O ATOM 200 CB VAL A 14 3.539 8.532 1.081 1.00 0.00 C ATOM 201 CG1 VAL A 14 2.288 8.525 0.190 1.00 0.00 C ATOM 202 CG2 VAL A 14 4.788 8.629 0.203 1.00 0.00 C ATOM 0 H VAL A 14 5.196 10.981 2.217 1.00 0.00 H new ATOM 0 HA VAL A 14 3.094 10.600 1.496 1.00 0.00 H new ATOM 0 HB VAL A 14 3.574 7.612 1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.326 7.670 -0.484 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.397 8.455 0.814 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.251 9.445 -0.393 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.825 7.774 -0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.753 9.550 -0.379 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.677 8.632 0.834 1.00 0.00 H new ATOM 212 N VAL A 15 1.284 9.587 3.007 1.00 0.00 N ATOM 213 CA VAL A 15 0.295 9.299 4.085 1.00 0.00 C ATOM 214 C VAL A 15 -0.868 8.480 3.505 1.00 0.00 C ATOM 215 O VAL A 15 -1.988 8.945 3.436 1.00 0.00 O ATOM 216 CB VAL A 15 -0.235 10.617 4.652 1.00 0.00 C ATOM 217 CG1 VAL A 15 -1.004 10.334 5.941 1.00 0.00 C ATOM 218 CG2 VAL A 15 0.943 11.551 4.959 1.00 0.00 C ATOM 0 H VAL A 15 0.878 9.918 2.132 1.00 0.00 H new ATOM 0 HA VAL A 15 0.775 8.730 4.881 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.895 11.090 3.925 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.385 11.270 6.351 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.838 9.665 5.728 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.339 9.865 6.666 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.567 12.491 5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.601 11.079 5.689 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.500 11.747 4.043 1.00 0.00 H new ATOM 228 N PRO A 16 -0.596 7.265 3.091 1.00 0.00 N ATOM 229 CA PRO A 16 -1.621 6.353 2.511 1.00 0.00 C ATOM 230 C PRO A 16 -2.477 5.689 3.592 1.00 0.00 C ATOM 231 O PRO A 16 -2.015 5.384 4.674 1.00 0.00 O ATOM 232 CB PRO A 16 -0.785 5.321 1.752 1.00 0.00 C ATOM 233 CG PRO A 16 0.498 5.234 2.520 1.00 0.00 C ATOM 234 CD PRO A 16 0.731 6.626 3.133 1.00 0.00 C ATOM 0 HA PRO A 16 -2.335 6.878 1.877 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.289 4.355 1.712 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.610 5.633 0.722 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.435 4.473 3.297 1.00 0.00 H new ATOM 0 HG3 PRO A 16 1.324 4.954 1.866 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.106 6.554 4.154 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.465 7.195 2.563 1.00 0.00 H new ATOM 242 N GLU A 17 -3.728 5.465 3.304 1.00 0.00 N ATOM 243 CA GLU A 17 -4.626 4.826 4.311 1.00 0.00 C ATOM 244 C GLU A 17 -4.563 3.309 4.166 1.00 0.00 C ATOM 245 O GLU A 17 -4.380 2.782 3.085 1.00 0.00 O ATOM 246 CB GLU A 17 -6.060 5.305 4.088 1.00 0.00 C ATOM 247 CG GLU A 17 -6.961 4.794 5.218 1.00 0.00 C ATOM 248 CD GLU A 17 -6.582 5.486 6.531 1.00 0.00 C ATOM 249 OE1 GLU A 17 -5.804 6.425 6.482 1.00 0.00 O ATOM 250 OE2 GLU A 17 -7.083 5.069 7.561 1.00 0.00 O ATOM 0 H GLU A 17 -4.170 5.696 2.414 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.302 5.103 5.314 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.088 6.394 4.053 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.428 4.946 3.127 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.006 4.991 4.980 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.855 3.714 5.321 1.00 0.00 H new ATOM 257 N VAL A 18 -4.711 2.608 5.257 1.00 0.00 N ATOM 258 CA VAL A 18 -4.658 1.115 5.223 1.00 0.00 C ATOM 259 C VAL A 18 -6.007 0.550 5.662 1.00 0.00 C ATOM 260 O VAL A 18 -6.562 0.936 6.673 1.00 0.00 O ATOM 261 CB VAL A 18 -3.566 0.630 6.180 1.00 0.00 C ATOM 262 CG1 VAL A 18 -3.633 -0.893 6.311 1.00 0.00 C ATOM 263 CG2 VAL A 18 -2.197 1.042 5.636 1.00 0.00 C ATOM 0 H VAL A 18 -4.868 3.009 6.182 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.436 0.777 4.211 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.717 1.079 7.162 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.854 -1.234 6.993 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.609 -1.182 6.701 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.484 -1.349 5.332 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.417 0.698 6.315 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.046 0.594 4.654 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.151 2.128 5.551 1.00 0.00 H new ATOM 273 N ARG A 19 -6.531 -0.366 4.898 1.00 0.00 N ATOM 274 CA ARG A 19 -7.847 -0.987 5.233 1.00 0.00 C ATOM 275 C ARG A 19 -7.728 -2.503 5.092 1.00 0.00 C ATOM 276 O ARG A 19 -7.015 -3.009 4.245 1.00 0.00 O ATOM 277 CB ARG A 19 -8.919 -0.463 4.273 1.00 0.00 C ATOM 278 CG ARG A 19 -9.095 1.043 4.487 1.00 0.00 C ATOM 279 CD ARG A 19 -10.135 1.597 3.503 1.00 0.00 C ATOM 280 NE ARG A 19 -9.601 1.536 2.111 1.00 0.00 N ATOM 281 CZ ARG A 19 -10.345 1.903 1.096 1.00 0.00 C ATOM 282 NH1 ARG A 19 -11.563 2.338 1.287 1.00 0.00 N ATOM 283 NH2 ARG A 19 -9.867 1.837 -0.116 1.00 0.00 N ATOM 0 H ARG A 19 -6.099 -0.717 4.043 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.128 -0.733 6.255 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.630 -0.664 3.241 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.863 -0.980 4.446 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.412 1.238 5.511 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.142 1.552 4.346 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.058 1.021 3.573 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.381 2.627 3.762 1.00 0.00 H new ATOM 0 HE ARG A 19 -8.650 1.206 1.948 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.942 2.394 2.232 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.134 2.621 0.491 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.917 1.501 -0.272 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.443 2.122 -0.908 1.00 0.00 H new ATOM 297 N LEU A 20 -8.418 -3.231 5.928 1.00 0.00 N ATOM 298 CA LEU A 20 -8.358 -4.725 5.876 1.00 0.00 C ATOM 299 C LEU A 20 -9.642 -5.272 5.261 1.00 0.00 C ATOM 300 O LEU A 20 -10.724 -4.758 5.475 1.00 0.00 O ATOM 301 CB LEU A 20 -8.196 -5.274 7.295 1.00 0.00 C ATOM 302 CG LEU A 20 -6.928 -4.695 7.934 1.00 0.00 C ATOM 303 CD1 LEU A 20 -6.790 -5.224 9.366 1.00 0.00 C ATOM 304 CD2 LEU A 20 -5.693 -5.101 7.113 1.00 0.00 C ATOM 0 H LEU A 20 -9.028 -2.853 6.653 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.509 -5.032 5.265 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.068 -5.016 7.896 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.137 -6.362 7.269 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.001 -3.608 7.952 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.889 -4.813 9.821 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.660 -4.924 9.950 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.723 -6.312 9.347 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.797 -4.685 7.574 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.616 -6.188 7.085 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.789 -4.718 6.097 1.00 0.00 H new ATOM 316 N SER A 21 -9.520 -6.312 4.491 1.00 0.00 N ATOM 317 CA SER A 21 -10.713 -6.919 3.838 1.00 0.00 C ATOM 318 C SER A 21 -10.466 -8.409 3.608 1.00 0.00 C ATOM 319 O SER A 21 -9.345 -8.879 3.654 1.00 0.00 O ATOM 320 CB SER A 21 -10.971 -6.235 2.496 1.00 0.00 C ATOM 321 OG SER A 21 -9.758 -6.164 1.760 1.00 0.00 O ATOM 0 H SER A 21 -8.635 -6.775 4.282 1.00 0.00 H new ATOM 0 HA SER A 21 -11.581 -6.788 4.484 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.720 -6.790 1.931 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.370 -5.234 2.657 1.00 0.00 H new ATOM 0 HG SER A 21 -9.069 -6.693 2.214 1.00 0.00 H new ATOM 327 N LYS A 22 -11.517 -9.150 3.369 1.00 0.00 N ATOM 328 CA LYS A 22 -11.386 -10.623 3.138 1.00 0.00 C ATOM 329 C LYS A 22 -11.836 -10.965 1.718 1.00 0.00 C ATOM 330 O LYS A 22 -12.851 -10.496 1.237 1.00 0.00 O ATOM 331 CB LYS A 22 -12.247 -11.372 4.156 1.00 0.00 C ATOM 332 CG LYS A 22 -12.069 -12.880 3.965 1.00 0.00 C ATOM 333 CD LYS A 22 -12.887 -13.630 5.019 1.00 0.00 C ATOM 334 CE LYS A 22 -12.694 -15.138 4.836 1.00 0.00 C ATOM 335 NZ LYS A 22 -13.461 -15.867 5.885 1.00 0.00 N ATOM 0 H LYS A 22 -12.472 -8.795 3.323 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.345 -10.921 3.258 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.962 -11.087 5.169 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.295 -11.100 4.031 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.391 -13.171 2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.015 -13.146 4.050 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.573 -13.331 6.019 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.942 -13.374 4.926 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.033 -15.441 3.845 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.636 -15.391 4.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.331 -16.891 5.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.117 -15.585 6.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.471 -15.634 5.801 1.00 0.00 H new ATOM 349 N SER A 23 -11.073 -11.781 1.047 1.00 0.00 N ATOM 350 CA SER A 23 -11.414 -12.172 -0.348 1.00 0.00 C ATOM 351 C SER A 23 -12.722 -12.963 -0.371 1.00 0.00 C ATOM 352 O SER A 23 -12.947 -13.847 0.434 1.00 0.00 O ATOM 353 CB SER A 23 -10.283 -13.034 -0.907 1.00 0.00 C ATOM 354 OG SER A 23 -10.570 -13.376 -2.255 1.00 0.00 O ATOM 0 H SER A 23 -10.217 -12.199 1.411 1.00 0.00 H new ATOM 0 HA SER A 23 -11.538 -11.276 -0.957 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.338 -12.494 -0.851 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.170 -13.937 -0.308 1.00 0.00 H new ATOM 0 HG SER A 23 -9.844 -13.927 -2.614 1.00 0.00 H new ATOM 420 N SER A 28 -7.972 -16.117 0.737 1.00 0.00 N ATOM 421 CA SER A 28 -7.411 -15.730 2.063 1.00 0.00 C ATOM 422 C SER A 28 -7.678 -14.255 2.358 1.00 0.00 C ATOM 423 O SER A 28 -8.294 -13.545 1.586 1.00 0.00 O ATOM 424 CB SER A 28 -5.903 -15.982 2.076 1.00 0.00 C ATOM 425 OG SER A 28 -5.419 -15.861 3.407 1.00 0.00 O ATOM 0 HA SER A 28 -7.896 -16.333 2.830 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.685 -16.976 1.686 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.397 -15.267 1.426 1.00 0.00 H new ATOM 0 HG SER A 28 -4.830 -15.081 3.471 1.00 0.00 H new ATOM 431 N GLY A 29 -7.215 -13.803 3.488 1.00 0.00 N ATOM 432 CA GLY A 29 -7.426 -12.385 3.882 1.00 0.00 C ATOM 433 C GLY A 29 -6.621 -11.463 2.973 1.00 0.00 C ATOM 434 O GLY A 29 -5.640 -11.859 2.376 1.00 0.00 O ATOM 0 H GLY A 29 -6.693 -14.363 4.163 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.485 -12.136 3.819 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.125 -12.239 4.919 1.00 0.00 H new ATOM 438 N MET A 30 -7.028 -10.228 2.865 1.00 0.00 N ATOM 439 CA MET A 30 -6.285 -9.270 1.994 1.00 0.00 C ATOM 440 C MET A 30 -6.356 -7.857 2.576 1.00 0.00 C ATOM 441 O MET A 30 -7.253 -7.521 3.327 1.00 0.00 O ATOM 442 CB MET A 30 -6.882 -9.287 0.578 1.00 0.00 C ATOM 443 CG MET A 30 -8.154 -8.426 0.509 1.00 0.00 C ATOM 444 SD MET A 30 -9.108 -8.888 -0.958 1.00 0.00 S ATOM 445 CE MET A 30 -10.214 -7.456 -0.978 1.00 0.00 C ATOM 0 H MET A 30 -7.842 -9.840 3.341 1.00 0.00 H new ATOM 0 HA MET A 30 -5.239 -9.574 1.946 1.00 0.00 H new ATOM 0 HB2 MET A 30 -6.147 -8.915 -0.136 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.116 -10.312 0.290 1.00 0.00 H new ATOM 0 HG2 MET A 30 -8.754 -8.570 1.408 1.00 0.00 H new ATOM 0 HG3 MET A 30 -7.890 -7.369 0.468 1.00 0.00 H new ATOM 0 HE1 MET A 30 -10.791 -7.455 -1.903 1.00 0.00 H new ATOM 0 HE2 MET A 30 -10.893 -7.509 -0.127 1.00 0.00 H new ATOM 0 HE3 MET A 30 -9.625 -6.541 -0.916 1.00 0.00 H new ATOM 455 N ALA A 31 -5.412 -7.032 2.216 1.00 0.00 N ATOM 456 CA ALA A 31 -5.384 -5.624 2.719 1.00 0.00 C ATOM 457 C ALA A 31 -5.481 -4.672 1.535 1.00 0.00 C ATOM 458 O ALA A 31 -4.925 -4.913 0.480 1.00 0.00 O ATOM 459 CB ALA A 31 -4.070 -5.377 3.455 1.00 0.00 C ATOM 0 H ALA A 31 -4.647 -7.275 1.586 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.220 -5.458 3.398 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.046 -4.351 3.823 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.989 -6.066 4.296 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.235 -5.537 2.773 1.00 0.00 H new ATOM 465 N LYS A 32 -6.197 -3.592 1.704 1.00 0.00 N ATOM 466 CA LYS A 32 -6.366 -2.601 0.597 1.00 0.00 C ATOM 467 C LYS A 32 -5.647 -1.301 0.948 1.00 0.00 C ATOM 468 O LYS A 32 -5.759 -0.790 2.047 1.00 0.00 O ATOM 469 CB LYS A 32 -7.861 -2.324 0.399 1.00 0.00 C ATOM 470 CG LYS A 32 -8.111 -1.859 -1.038 1.00 0.00 C ATOM 471 CD LYS A 32 -9.614 -1.710 -1.275 1.00 0.00 C ATOM 472 CE LYS A 32 -10.309 -3.081 -1.178 1.00 0.00 C ATOM 473 NZ LYS A 32 -10.784 -3.291 0.218 1.00 0.00 N ATOM 0 H LYS A 32 -6.678 -3.350 2.571 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.939 -3.004 -0.321 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.439 -3.225 0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.196 -1.562 1.102 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.609 -0.908 -1.216 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.691 -2.578 -1.742 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.039 -1.026 -0.540 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.793 -1.273 -2.257 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.149 -3.126 -1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.617 -3.874 -1.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.359 -4.159 0.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.506 -2.479 0.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.820 -3.382 0.222 1.00 0.00 H new ATOM 487 N PHE A 33 -4.911 -0.767 0.013 1.00 0.00 N ATOM 488 CA PHE A 33 -4.163 0.503 0.255 1.00 0.00 C ATOM 489 C PHE A 33 -4.748 1.618 -0.609 1.00 0.00 C ATOM 490 O PHE A 33 -5.172 1.400 -1.728 1.00 0.00 O ATOM 491 CB PHE A 33 -2.695 0.292 -0.111 1.00 0.00 C ATOM 492 CG PHE A 33 -2.046 -0.567 0.941 1.00 0.00 C ATOM 493 CD1 PHE A 33 -2.114 -1.962 0.849 1.00 0.00 C ATOM 494 CD2 PHE A 33 -1.382 0.032 2.018 1.00 0.00 C ATOM 495 CE1 PHE A 33 -1.517 -2.758 1.834 1.00 0.00 C ATOM 496 CE2 PHE A 33 -0.784 -0.763 3.000 1.00 0.00 C ATOM 497 CZ PHE A 33 -0.851 -2.157 2.910 1.00 0.00 C ATOM 0 H PHE A 33 -4.793 -1.160 -0.921 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.247 0.783 1.305 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.615 -0.185 -1.088 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.183 1.252 -0.182 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.627 -2.424 0.018 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.332 1.108 2.090 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.570 -3.834 1.764 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.270 -0.300 3.829 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.389 -2.770 3.670 1.00 0.00 H new ATOM 507 N TYR A 34 -4.773 2.811 -0.083 1.00 0.00 N ATOM 508 CA TYR A 34 -5.329 3.975 -0.841 1.00 0.00 C ATOM 509 C TYR A 34 -4.344 5.144 -0.771 1.00 0.00 C ATOM 510 O TYR A 34 -3.941 5.571 0.295 1.00 0.00 O ATOM 511 CB TYR A 34 -6.662 4.389 -0.221 1.00 0.00 C ATOM 512 CG TYR A 34 -7.228 5.556 -0.990 1.00 0.00 C ATOM 513 CD1 TYR A 34 -7.825 5.345 -2.238 1.00 0.00 C ATOM 514 CD2 TYR A 34 -7.156 6.850 -0.458 1.00 0.00 C ATOM 515 CE1 TYR A 34 -8.350 6.425 -2.955 1.00 0.00 C ATOM 516 CE2 TYR A 34 -7.681 7.931 -1.177 1.00 0.00 C ATOM 517 CZ TYR A 34 -8.279 7.719 -2.425 1.00 0.00 C ATOM 518 OH TYR A 34 -8.796 8.783 -3.132 1.00 0.00 O ATOM 0 H TYR A 34 -4.429 3.035 0.851 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.484 3.696 -1.883 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.361 3.553 -0.241 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.521 4.662 0.825 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.880 4.347 -2.648 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.696 7.014 0.505 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.810 6.261 -3.918 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.625 8.929 -0.768 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.665 9.609 -2.622 1.00 0.00 H new ATOM 528 N PHE A 35 -3.951 5.655 -1.906 1.00 0.00 N ATOM 529 CA PHE A 35 -2.980 6.795 -1.948 1.00 0.00 C ATOM 530 C PHE A 35 -3.696 8.051 -2.439 1.00 0.00 C ATOM 531 O PHE A 35 -4.239 8.093 -3.530 1.00 0.00 O ATOM 532 CB PHE A 35 -1.838 6.435 -2.896 1.00 0.00 C ATOM 533 CG PHE A 35 -1.202 5.154 -2.413 1.00 0.00 C ATOM 534 CD1 PHE A 35 -1.828 3.927 -2.662 1.00 0.00 C ATOM 535 CD2 PHE A 35 0.010 5.191 -1.714 1.00 0.00 C ATOM 536 CE1 PHE A 35 -1.249 2.740 -2.205 1.00 0.00 C ATOM 537 CE2 PHE A 35 0.592 4.002 -1.259 1.00 0.00 C ATOM 538 CZ PHE A 35 -0.037 2.777 -1.504 1.00 0.00 C ATOM 0 H PHE A 35 -4.264 5.329 -2.820 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.578 6.985 -0.953 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -2.213 6.312 -3.912 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.101 7.237 -2.923 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.759 3.898 -3.208 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.496 6.137 -1.526 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.736 1.794 -2.392 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.527 4.031 -0.719 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.412 1.860 -1.153 1.00 0.00 H new ATOM 548 N LEU A 36 -3.714 9.071 -1.622 1.00 0.00 N ATOM 549 CA LEU A 36 -4.407 10.337 -1.995 1.00 0.00 C ATOM 550 C LEU A 36 -3.420 11.322 -2.633 1.00 0.00 C ATOM 551 O LEU A 36 -2.456 11.752 -2.025 1.00 0.00 O ATOM 552 CB LEU A 36 -5.017 10.959 -0.734 1.00 0.00 C ATOM 553 CG LEU A 36 -5.672 12.310 -1.065 1.00 0.00 C ATOM 554 CD1 LEU A 36 -6.712 12.132 -2.183 1.00 0.00 C ATOM 555 CD2 LEU A 36 -6.359 12.856 0.192 1.00 0.00 C ATOM 0 H LEU A 36 -3.273 9.080 -0.702 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.191 10.118 -2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.759 10.282 -0.310 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.243 11.098 0.021 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.907 13.009 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.170 13.095 -2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.223 11.743 -3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.481 11.432 -1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.826 13.814 -0.036 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -7.121 12.151 0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.619 12.991 0.981 1.00 0.00 H new ATOM 567 N GLU A 37 -3.686 11.685 -3.856 1.00 0.00 N ATOM 568 CA GLU A 37 -2.818 12.649 -4.594 1.00 0.00 C ATOM 569 C GLU A 37 -1.339 12.399 -4.292 1.00 0.00 C ATOM 570 O GLU A 37 -0.629 13.283 -3.859 1.00 0.00 O ATOM 571 CB GLU A 37 -3.195 14.084 -4.203 1.00 0.00 C ATOM 572 CG GLU A 37 -4.536 14.447 -4.854 1.00 0.00 C ATOM 573 CD GLU A 37 -5.050 15.769 -4.282 1.00 0.00 C ATOM 574 OE1 GLU A 37 -5.193 15.854 -3.073 1.00 0.00 O ATOM 575 OE2 GLU A 37 -5.293 16.675 -5.063 1.00 0.00 O ATOM 0 H GLU A 37 -4.487 11.347 -4.389 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.975 12.507 -5.663 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.268 14.171 -3.119 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.420 14.778 -4.527 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.415 14.530 -5.934 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.264 13.655 -4.675 1.00 0.00 H new ATOM 582 N PRO A 38 -0.874 11.200 -4.538 1.00 0.00 N ATOM 583 CA PRO A 38 0.549 10.837 -4.305 1.00 0.00 C ATOM 584 C PRO A 38 1.492 11.544 -5.291 1.00 0.00 C ATOM 585 O PRO A 38 1.133 11.850 -6.412 1.00 0.00 O ATOM 586 CB PRO A 38 0.577 9.309 -4.479 1.00 0.00 C ATOM 587 CG PRO A 38 -0.595 8.995 -5.358 1.00 0.00 C ATOM 588 CD PRO A 38 -1.655 10.065 -5.066 1.00 0.00 C ATOM 0 HA PRO A 38 0.900 11.149 -3.321 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.511 8.981 -4.935 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.496 8.801 -3.518 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -0.307 9.010 -6.409 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.982 7.998 -5.148 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.203 10.341 -5.967 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.389 9.713 -4.341 1.00 0.00 H new ATOM 596 N THR A 39 2.692 11.814 -4.862 1.00 0.00 N ATOM 597 CA THR A 39 3.678 12.513 -5.738 1.00 0.00 C ATOM 598 C THR A 39 4.154 11.577 -6.856 1.00 0.00 C ATOM 599 O THR A 39 4.717 12.008 -7.843 1.00 0.00 O ATOM 600 CB THR A 39 4.882 12.946 -4.892 1.00 0.00 C ATOM 601 OG1 THR A 39 5.395 11.822 -4.186 1.00 0.00 O ATOM 602 CG2 THR A 39 4.451 14.024 -3.896 1.00 0.00 C ATOM 0 H THR A 39 3.038 11.578 -3.932 1.00 0.00 H new ATOM 0 HA THR A 39 3.202 13.385 -6.186 1.00 0.00 H new ATOM 0 HB THR A 39 5.656 13.349 -5.545 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.165 12.098 -3.647 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.309 14.329 -3.297 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.062 14.886 -4.438 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.675 13.626 -3.242 1.00 0.00 H new ATOM 610 N ILE A 40 3.944 10.301 -6.704 1.00 0.00 N ATOM 611 CA ILE A 40 4.400 9.340 -7.752 1.00 0.00 C ATOM 612 C ILE A 40 3.655 9.612 -9.066 1.00 0.00 C ATOM 613 O ILE A 40 3.837 8.926 -10.053 1.00 0.00 O ATOM 614 CB ILE A 40 4.125 7.898 -7.271 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.025 6.905 -8.037 1.00 0.00 C ATOM 616 CG2 ILE A 40 2.645 7.533 -7.491 1.00 0.00 C ATOM 617 CD1 ILE A 40 6.386 6.787 -7.338 1.00 0.00 C ATOM 0 H ILE A 40 3.477 9.879 -5.901 1.00 0.00 H new ATOM 0 HA ILE A 40 5.469 9.464 -7.925 1.00 0.00 H new ATOM 0 HB ILE A 40 4.349 7.838 -6.206 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.545 5.928 -8.084 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.162 7.243 -9.064 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.467 6.514 -7.147 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.013 8.221 -6.930 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.406 7.605 -8.552 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.016 6.085 -7.884 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.869 7.764 -7.314 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.242 6.428 -6.319 1.00 0.00 H new ATOM 629 N LEU A 41 2.824 10.615 -9.086 1.00 0.00 N ATOM 630 CA LEU A 41 2.067 10.946 -10.331 1.00 0.00 C ATOM 631 C LEU A 41 2.825 12.030 -11.097 1.00 0.00 C ATOM 632 O LEU A 41 2.618 12.238 -12.275 1.00 0.00 O ATOM 633 CB LEU A 41 0.680 11.472 -9.949 1.00 0.00 C ATOM 634 CG LEU A 41 -0.075 10.405 -9.147 1.00 0.00 C ATOM 635 CD1 LEU A 41 -1.435 10.961 -8.709 1.00 0.00 C ATOM 636 CD2 LEU A 41 -0.284 9.145 -10.009 1.00 0.00 C ATOM 0 H LEU A 41 2.633 11.225 -8.291 1.00 0.00 H new ATOM 0 HA LEU A 41 1.963 10.057 -10.953 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.776 12.384 -9.359 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.119 11.731 -10.847 1.00 0.00 H new ATOM 0 HG LEU A 41 0.511 10.139 -8.267 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.972 10.203 -8.139 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.284 11.843 -8.087 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.017 11.233 -9.589 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.821 8.393 -9.430 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.863 9.403 -10.896 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.684 8.746 -10.312 1.00 0.00 H new ATOM 648 N ALA A 42 3.711 12.720 -10.431 1.00 0.00 N ATOM 649 CA ALA A 42 4.502 13.795 -11.104 1.00 0.00 C ATOM 650 C ALA A 42 5.857 13.229 -11.535 1.00 0.00 C ATOM 651 O ALA A 42 6.525 13.764 -12.396 1.00 0.00 O ATOM 652 CB ALA A 42 4.725 14.943 -10.119 1.00 0.00 C ATOM 0 H ALA A 42 3.924 12.585 -9.443 1.00 0.00 H new ATOM 0 HA ALA A 42 3.962 14.159 -11.978 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.302 15.731 -10.603 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.762 15.342 -9.801 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.271 14.576 -9.250 1.00 0.00 H new ATOM 658 N LYS A 43 6.264 12.141 -10.938 1.00 0.00 N ATOM 659 CA LYS A 43 7.574 11.518 -11.303 1.00 0.00 C ATOM 660 C LYS A 43 7.348 10.415 -12.336 1.00 0.00 C ATOM 661 O LYS A 43 7.637 10.572 -13.507 1.00 0.00 O ATOM 662 CB LYS A 43 8.213 10.907 -10.053 1.00 0.00 C ATOM 663 CG LYS A 43 8.670 12.023 -9.113 1.00 0.00 C ATOM 664 CD LYS A 43 9.299 11.412 -7.858 1.00 0.00 C ATOM 665 CE LYS A 43 9.752 12.534 -6.920 1.00 0.00 C ATOM 666 NZ LYS A 43 10.363 11.943 -5.695 1.00 0.00 N ATOM 0 H LYS A 43 5.744 11.653 -10.209 1.00 0.00 H new ATOM 0 HA LYS A 43 8.231 12.281 -11.720 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.497 10.260 -9.545 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.062 10.284 -10.334 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.392 12.665 -9.618 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.822 12.651 -8.838 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.578 10.769 -7.353 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.148 10.786 -8.131 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.474 13.176 -7.426 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.903 13.161 -6.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.094 12.509 -4.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 10.023 10.968 -5.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.399 11.939 -5.791 1.00 0.00 H new ATOM 680 N GLU A 44 6.838 9.290 -11.904 1.00 0.00 N ATOM 681 CA GLU A 44 6.593 8.152 -12.845 1.00 0.00 C ATOM 682 C GLU A 44 5.108 8.078 -13.204 1.00 0.00 C ATOM 683 O GLU A 44 4.240 8.303 -12.382 1.00 0.00 O ATOM 684 CB GLU A 44 7.019 6.841 -12.183 1.00 0.00 C ATOM 685 CG GLU A 44 8.535 6.847 -11.955 1.00 0.00 C ATOM 686 CD GLU A 44 8.880 7.730 -10.752 1.00 0.00 C ATOM 687 OE1 GLU A 44 7.985 8.027 -9.978 1.00 0.00 O ATOM 688 OE2 GLU A 44 10.037 8.095 -10.625 1.00 0.00 O ATOM 0 H GLU A 44 6.579 9.109 -10.934 1.00 0.00 H new ATOM 0 HA GLU A 44 7.174 8.312 -13.753 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.499 6.716 -11.233 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.739 5.997 -12.813 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.889 5.831 -11.784 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.044 7.216 -12.846 1.00 0.00 H new ATOM 695 N SER A 45 4.820 7.764 -14.433 1.00 0.00 N ATOM 696 CA SER A 45 3.403 7.673 -14.880 1.00 0.00 C ATOM 697 C SER A 45 2.712 6.478 -14.219 1.00 0.00 C ATOM 698 O SER A 45 3.342 5.531 -13.790 1.00 0.00 O ATOM 699 CB SER A 45 3.361 7.511 -16.400 1.00 0.00 C ATOM 700 OG SER A 45 2.012 7.351 -16.822 1.00 0.00 O ATOM 0 H SER A 45 5.512 7.564 -15.155 1.00 0.00 H new ATOM 0 HA SER A 45 2.881 8.585 -14.591 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.803 8.383 -16.882 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.953 6.646 -16.701 1.00 0.00 H new ATOM 0 HG SER A 45 1.984 7.249 -17.796 1.00 0.00 H new ATOM 706 N THR A 46 1.412 6.531 -14.136 1.00 0.00 N ATOM 707 CA THR A 46 0.643 5.420 -13.506 1.00 0.00 C ATOM 708 C THR A 46 0.783 4.146 -14.346 1.00 0.00 C ATOM 709 O THR A 46 0.789 3.045 -13.833 1.00 0.00 O ATOM 710 CB THR A 46 -0.833 5.821 -13.430 1.00 0.00 C ATOM 711 OG1 THR A 46 -1.280 6.217 -14.721 1.00 0.00 O ATOM 712 CG2 THR A 46 -1.002 6.983 -12.449 1.00 0.00 C ATOM 0 H THR A 46 0.843 7.304 -14.481 1.00 0.00 H new ATOM 0 HA THR A 46 1.030 5.229 -12.505 1.00 0.00 H new ATOM 0 HB THR A 46 -1.423 4.972 -13.084 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.224 5.976 -14.829 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.053 7.266 -12.397 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.660 6.677 -11.460 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.414 7.835 -12.789 1.00 0.00 H new ATOM 720 N ASP A 47 0.898 4.295 -15.638 1.00 0.00 N ATOM 721 CA ASP A 47 1.041 3.101 -16.526 1.00 0.00 C ATOM 722 C ASP A 47 2.426 2.481 -16.323 1.00 0.00 C ATOM 723 O ASP A 47 2.677 1.350 -16.691 1.00 0.00 O ATOM 724 CB ASP A 47 0.898 3.540 -17.986 1.00 0.00 C ATOM 725 CG ASP A 47 -0.557 3.904 -18.279 1.00 0.00 C ATOM 726 OD1 ASP A 47 -1.407 3.564 -17.472 1.00 0.00 O ATOM 727 OD2 ASP A 47 -0.800 4.515 -19.308 1.00 0.00 O ATOM 0 H ASP A 47 0.899 5.194 -16.120 1.00 0.00 H new ATOM 0 HA ASP A 47 0.271 2.369 -16.282 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.543 4.397 -18.182 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.222 2.738 -18.649 1.00 0.00 H new ATOM 732 N ASP A 48 3.329 3.221 -15.743 1.00 0.00 N ATOM 733 CA ASP A 48 4.704 2.691 -15.514 1.00 0.00 C ATOM 734 C ASP A 48 4.739 1.907 -14.198 1.00 0.00 C ATOM 735 O ASP A 48 5.721 1.272 -13.863 1.00 0.00 O ATOM 736 CB ASP A 48 5.684 3.866 -15.433 1.00 0.00 C ATOM 737 CG ASP A 48 7.113 3.338 -15.311 1.00 0.00 C ATOM 738 OD1 ASP A 48 7.301 2.149 -15.504 1.00 0.00 O ATOM 739 OD2 ASP A 48 7.994 4.132 -15.028 1.00 0.00 O ATOM 0 H ASP A 48 3.174 4.175 -15.416 1.00 0.00 H new ATOM 0 HA ASP A 48 4.985 2.030 -16.334 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.592 4.491 -16.321 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.444 4.494 -14.575 1.00 0.00 H new ATOM 744 N ILE A 49 3.671 1.944 -13.448 1.00 0.00 N ATOM 745 CA ILE A 49 3.634 1.203 -12.149 1.00 0.00 C ATOM 746 C ILE A 49 3.078 -0.206 -12.373 1.00 0.00 C ATOM 747 O ILE A 49 2.022 -0.392 -12.945 1.00 0.00 O ATOM 748 CB ILE A 49 2.748 1.952 -11.149 1.00 0.00 C ATOM 749 CG1 ILE A 49 3.382 3.311 -10.827 1.00 0.00 C ATOM 750 CG2 ILE A 49 2.626 1.134 -9.862 1.00 0.00 C ATOM 751 CD1 ILE A 49 2.400 4.164 -10.021 1.00 0.00 C ATOM 0 H ILE A 49 2.819 2.456 -13.677 1.00 0.00 H new ATOM 0 HA ILE A 49 4.646 1.132 -11.750 1.00 0.00 H new ATOM 0 HB ILE A 49 1.759 2.101 -11.581 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.303 3.168 -10.261 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.651 3.825 -11.750 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.995 1.667 -9.150 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.180 0.165 -10.087 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.616 0.986 -9.430 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.856 5.128 -9.795 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.491 4.320 -10.602 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.153 3.653 -9.091 1.00 0.00 H new ATOM 763 N THR A 50 3.788 -1.200 -11.917 1.00 0.00 N ATOM 764 CA THR A 50 3.327 -2.608 -12.083 1.00 0.00 C ATOM 765 C THR A 50 3.876 -3.446 -10.925 1.00 0.00 C ATOM 766 O THR A 50 4.171 -4.614 -11.071 1.00 0.00 O ATOM 767 CB THR A 50 3.828 -3.166 -13.421 1.00 0.00 C ATOM 768 OG1 THR A 50 3.667 -4.576 -13.434 1.00 0.00 O ATOM 769 CG2 THR A 50 5.307 -2.818 -13.614 1.00 0.00 C ATOM 0 H THR A 50 4.679 -1.096 -11.431 1.00 0.00 H new ATOM 0 HA THR A 50 2.238 -2.645 -12.078 1.00 0.00 H new ATOM 0 HB THR A 50 3.250 -2.723 -14.232 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.245 -4.978 -12.752 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.654 -3.218 -14.567 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.430 -1.735 -13.609 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.892 -3.253 -12.803 1.00 0.00 H new ATOM 777 N GLY A 51 4.014 -2.851 -9.769 1.00 0.00 N ATOM 778 CA GLY A 51 4.540 -3.612 -8.598 1.00 0.00 C ATOM 779 C GLY A 51 4.577 -2.719 -7.362 1.00 0.00 C ATOM 780 O GLY A 51 4.885 -1.545 -7.438 1.00 0.00 O ATOM 0 H GLY A 51 3.786 -1.874 -9.586 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.911 -4.482 -8.408 1.00 0.00 H new ATOM 0 HA3 GLY A 51 5.541 -3.984 -8.817 1.00 0.00 H new ATOM 784 N MET A 52 4.256 -3.272 -6.219 1.00 0.00 N ATOM 785 CA MET A 52 4.255 -2.477 -4.952 1.00 0.00 C ATOM 786 C MET A 52 5.347 -3.002 -4.021 1.00 0.00 C ATOM 787 O MET A 52 5.483 -4.193 -3.808 1.00 0.00 O ATOM 788 CB MET A 52 2.895 -2.617 -4.267 1.00 0.00 C ATOM 789 CG MET A 52 2.905 -1.817 -2.963 1.00 0.00 C ATOM 790 SD MET A 52 1.247 -1.817 -2.238 1.00 0.00 S ATOM 791 CE MET A 52 0.661 -0.283 -2.996 1.00 0.00 C ATOM 0 H MET A 52 3.992 -4.251 -6.109 1.00 0.00 H new ATOM 0 HA MET A 52 4.444 -1.428 -5.180 1.00 0.00 H new ATOM 0 HB2 MET A 52 2.104 -2.255 -4.924 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.684 -3.667 -4.062 1.00 0.00 H new ATOM 0 HG2 MET A 52 3.619 -2.252 -2.263 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.229 -0.794 -3.155 1.00 0.00 H new ATOM 0 HE1 MET A 52 -0.251 0.044 -2.497 1.00 0.00 H new ATOM 0 HE2 MET A 52 1.426 0.487 -2.897 1.00 0.00 H new ATOM 0 HE3 MET A 52 0.454 -0.455 -4.052 1.00 0.00 H new ATOM 801 N TYR A 53 6.118 -2.110 -3.459 1.00 0.00 N ATOM 802 CA TYR A 53 7.211 -2.517 -2.524 1.00 0.00 C ATOM 803 C TYR A 53 6.866 -2.045 -1.114 1.00 0.00 C ATOM 804 O TYR A 53 6.682 -0.862 -0.859 1.00 0.00 O ATOM 805 CB TYR A 53 8.524 -1.874 -2.971 1.00 0.00 C ATOM 806 CG TYR A 53 8.984 -2.522 -4.254 1.00 0.00 C ATOM 807 CD1 TYR A 53 8.384 -2.173 -5.469 1.00 0.00 C ATOM 808 CD2 TYR A 53 10.013 -3.471 -4.228 1.00 0.00 C ATOM 809 CE1 TYR A 53 8.812 -2.774 -6.659 1.00 0.00 C ATOM 810 CE2 TYR A 53 10.441 -4.073 -5.418 1.00 0.00 C ATOM 811 CZ TYR A 53 9.842 -3.724 -6.633 1.00 0.00 C ATOM 812 OH TYR A 53 10.266 -4.316 -7.806 1.00 0.00 O ATOM 0 H TYR A 53 6.037 -1.104 -3.609 1.00 0.00 H new ATOM 0 HA TYR A 53 7.317 -3.602 -2.530 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.386 -0.803 -3.120 1.00 0.00 H new ATOM 0 HB3 TYR A 53 9.283 -1.993 -2.197 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.591 -1.440 -5.489 1.00 0.00 H new ATOM 0 HD2 TYR A 53 10.477 -3.739 -3.290 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.348 -2.506 -7.597 1.00 0.00 H new ATOM 0 HE2 TYR A 53 11.233 -4.807 -5.398 1.00 0.00 H new ATOM 0 HH TYR A 53 10.987 -4.950 -7.610 1.00 0.00 H new ATOM 822 N LEU A 54 6.779 -2.968 -0.196 1.00 0.00 N ATOM 823 CA LEU A 54 6.450 -2.615 1.214 1.00 0.00 C ATOM 824 C LEU A 54 7.738 -2.573 2.030 1.00 0.00 C ATOM 825 O LEU A 54 8.500 -3.521 2.056 1.00 0.00 O ATOM 826 CB LEU A 54 5.506 -3.673 1.791 1.00 0.00 C ATOM 827 CG LEU A 54 4.267 -3.790 0.896 1.00 0.00 C ATOM 828 CD1 LEU A 54 3.326 -4.861 1.455 1.00 0.00 C ATOM 829 CD2 LEU A 54 3.537 -2.437 0.836 1.00 0.00 C ATOM 0 H LEU A 54 6.924 -3.963 -0.365 1.00 0.00 H new ATOM 0 HA LEU A 54 5.964 -1.640 1.251 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.015 -4.635 1.854 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.212 -3.400 2.805 1.00 0.00 H new ATOM 0 HG LEU A 54 4.577 -4.073 -0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.446 -4.942 0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.843 -5.820 1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.018 -4.584 2.463 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.657 -2.526 0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.229 -2.145 1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.206 -1.680 0.427 1.00 0.00 H new ATOM 841 N ILE A 55 7.987 -1.476 2.690 1.00 0.00 N ATOM 842 CA ILE A 55 9.229 -1.341 3.508 1.00 0.00 C ATOM 843 C ILE A 55 8.868 -1.412 4.990 1.00 0.00 C ATOM 844 O ILE A 55 8.036 -0.669 5.478 1.00 0.00 O ATOM 845 CB ILE A 55 9.892 0.009 3.213 1.00 0.00 C ATOM 846 CG1 ILE A 55 10.435 0.007 1.778 1.00 0.00 C ATOM 847 CG2 ILE A 55 11.046 0.242 4.192 1.00 0.00 C ATOM 848 CD1 ILE A 55 9.286 -0.034 0.756 1.00 0.00 C ATOM 0 H ILE A 55 7.378 -0.658 2.699 1.00 0.00 H new ATOM 0 HA ILE A 55 9.918 -2.148 3.258 1.00 0.00 H new ATOM 0 HB ILE A 55 9.156 0.805 3.326 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.042 0.897 1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.087 -0.854 1.633 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.515 1.203 3.979 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.663 0.243 5.212 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.783 -0.554 4.082 1.00 0.00 H new ATOM 0 HD11 ILE A 55 9.697 -0.035 -0.254 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.696 -0.938 0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.650 0.841 0.888 1.00 0.00 H new ATOM 860 N ASP A 56 9.501 -2.300 5.707 1.00 0.00 N ATOM 861 CA ASP A 56 9.232 -2.447 7.170 1.00 0.00 C ATOM 862 C ASP A 56 10.566 -2.330 7.913 1.00 0.00 C ATOM 863 O ASP A 56 10.684 -2.705 9.058 1.00 0.00 O ATOM 864 CB ASP A 56 8.589 -3.814 7.433 1.00 0.00 C ATOM 865 CG ASP A 56 8.145 -3.910 8.896 1.00 0.00 C ATOM 866 OD1 ASP A 56 8.420 -2.987 9.641 1.00 0.00 O ATOM 867 OD2 ASP A 56 7.520 -4.902 9.238 1.00 0.00 O ATOM 0 H ASP A 56 10.204 -2.940 5.337 1.00 0.00 H new ATOM 0 HA ASP A 56 8.549 -1.672 7.518 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.732 -3.955 6.774 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.299 -4.609 7.207 1.00 0.00 H new ATOM 872 N ASP A 57 11.567 -1.795 7.254 1.00 0.00 N ATOM 873 CA ASP A 57 12.910 -1.621 7.898 1.00 0.00 C ATOM 874 C ASP A 57 13.519 -2.989 8.234 1.00 0.00 C ATOM 875 O ASP A 57 14.562 -3.358 7.730 1.00 0.00 O ATOM 876 CB ASP A 57 12.748 -0.799 9.184 1.00 0.00 C ATOM 877 CG ASP A 57 14.102 -0.220 9.602 1.00 0.00 C ATOM 878 OD1 ASP A 57 15.106 -0.680 9.084 1.00 0.00 O ATOM 879 OD2 ASP A 57 14.108 0.673 10.433 1.00 0.00 O ATOM 0 H ASP A 57 11.511 -1.469 6.289 1.00 0.00 H new ATOM 0 HA ASP A 57 13.575 -1.102 7.208 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.031 0.006 9.024 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.349 -1.427 9.980 1.00 0.00 H new ATOM 884 N GLU A 58 12.875 -3.743 9.083 1.00 0.00 N ATOM 885 CA GLU A 58 13.407 -5.087 9.458 1.00 0.00 C ATOM 886 C GLU A 58 13.212 -6.052 8.287 1.00 0.00 C ATOM 887 O GLU A 58 13.588 -7.205 8.342 1.00 0.00 O ATOM 888 CB GLU A 58 12.653 -5.605 10.687 1.00 0.00 C ATOM 889 CG GLU A 58 13.041 -4.766 11.908 1.00 0.00 C ATOM 890 CD GLU A 58 12.230 -5.213 13.128 1.00 0.00 C ATOM 891 OE1 GLU A 58 11.451 -6.142 12.991 1.00 0.00 O ATOM 892 OE2 GLU A 58 12.404 -4.617 14.178 1.00 0.00 O ATOM 0 H GLU A 58 11.998 -3.485 9.536 1.00 0.00 H new ATOM 0 HA GLU A 58 14.469 -5.012 9.691 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.578 -5.548 10.519 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.894 -6.654 10.860 1.00 0.00 H new ATOM 0 HG2 GLU A 58 14.107 -4.873 12.110 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.859 -3.710 11.707 1.00 0.00 H new ATOM 899 N GLY A 59 12.632 -5.581 7.221 1.00 0.00 N ATOM 900 CA GLY A 59 12.416 -6.457 6.036 1.00 0.00 C ATOM 901 C GLY A 59 11.486 -5.762 5.046 1.00 0.00 C ATOM 902 O GLY A 59 10.943 -4.709 5.320 1.00 0.00 O ATOM 0 H GLY A 59 12.296 -4.623 7.118 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.370 -6.681 5.558 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.985 -7.408 6.348 1.00 0.00 H new ATOM 906 N GLU A 60 11.298 -6.343 3.894 1.00 0.00 N ATOM 907 CA GLU A 60 10.401 -5.722 2.875 1.00 0.00 C ATOM 908 C GLU A 60 9.665 -6.813 2.102 1.00 0.00 C ATOM 909 O GLU A 60 10.172 -7.899 1.895 1.00 0.00 O ATOM 910 CB GLU A 60 11.222 -4.862 1.906 1.00 0.00 C ATOM 911 CG GLU A 60 12.219 -5.733 1.130 1.00 0.00 C ATOM 912 CD GLU A 60 13.059 -4.844 0.210 1.00 0.00 C ATOM 913 OE1 GLU A 60 12.499 -3.926 -0.369 1.00 0.00 O ATOM 914 OE2 GLU A 60 14.250 -5.092 0.100 1.00 0.00 O ATOM 0 H GLU A 60 11.728 -7.224 3.612 1.00 0.00 H new ATOM 0 HA GLU A 60 9.674 -5.088 3.382 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.557 -4.352 1.210 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.757 -4.090 2.459 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.865 -6.272 1.823 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.686 -6.482 0.544 1.00 0.00 H new ATOM 921 N ILE A 61 8.469 -6.518 1.673 1.00 0.00 N ATOM 922 CA ILE A 61 7.657 -7.506 0.902 1.00 0.00 C ATOM 923 C ILE A 61 7.268 -6.898 -0.442 1.00 0.00 C ATOM 924 O ILE A 61 6.825 -5.767 -0.525 1.00 0.00 O ATOM 925 CB ILE A 61 6.393 -7.861 1.684 1.00 0.00 C ATOM 926 CG1 ILE A 61 6.781 -8.596 2.970 1.00 0.00 C ATOM 927 CG2 ILE A 61 5.504 -8.763 0.828 1.00 0.00 C ATOM 928 CD1 ILE A 61 5.558 -8.725 3.884 1.00 0.00 C ATOM 0 H ILE A 61 8.011 -5.619 1.826 1.00 0.00 H new ATOM 0 HA ILE A 61 8.245 -8.410 0.741 1.00 0.00 H new ATOM 0 HB ILE A 61 5.850 -6.950 1.936 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.173 -9.584 2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.575 -8.054 3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.602 -9.018 1.384 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.230 -8.240 -0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.045 -9.675 0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.840 -9.249 4.797 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.185 -7.732 4.135 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.777 -9.286 3.370 1.00 0.00 H new ATOM 940 N ILE A 62 7.431 -7.648 -1.495 1.00 0.00 N ATOM 941 CA ILE A 62 7.084 -7.148 -2.857 1.00 0.00 C ATOM 942 C ILE A 62 5.824 -7.847 -3.342 1.00 0.00 C ATOM 943 O ILE A 62 5.730 -9.060 -3.355 1.00 0.00 O ATOM 944 CB ILE A 62 8.236 -7.447 -3.822 1.00 0.00 C ATOM 945 CG1 ILE A 62 9.539 -6.790 -3.302 1.00 0.00 C ATOM 946 CG2 ILE A 62 7.886 -6.891 -5.208 1.00 0.00 C ATOM 947 CD1 ILE A 62 10.337 -7.791 -2.459 1.00 0.00 C ATOM 0 H ILE A 62 7.795 -8.600 -1.471 1.00 0.00 H new ATOM 0 HA ILE A 62 6.915 -6.072 -2.818 1.00 0.00 H new ATOM 0 HB ILE A 62 8.388 -8.524 -3.890 1.00 0.00 H new ATOM 0 HG12 ILE A 62 10.143 -6.448 -4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 62 9.298 -5.911 -2.704 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.701 -7.100 -5.900 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.973 -7.364 -5.570 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.735 -5.814 -5.140 1.00 0.00 H new ATOM 0 HD11 ILE A 62 11.250 -7.317 -2.099 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.735 -8.111 -1.608 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.593 -8.657 -3.069 1.00 0.00 H new ATOM 959 N THR A 63 4.849 -7.081 -3.736 1.00 0.00 N ATOM 960 CA THR A 63 3.569 -7.664 -4.224 1.00 0.00 C ATOM 961 C THR A 63 3.109 -6.904 -5.468 1.00 0.00 C ATOM 962 O THR A 63 3.519 -5.790 -5.726 1.00 0.00 O ATOM 963 CB THR A 63 2.507 -7.544 -3.123 1.00 0.00 C ATOM 964 OG1 THR A 63 2.771 -8.504 -2.111 1.00 0.00 O ATOM 965 CG2 THR A 63 1.112 -7.789 -3.710 1.00 0.00 C ATOM 0 H THR A 63 4.884 -6.062 -3.741 1.00 0.00 H new ATOM 0 HA THR A 63 3.714 -8.715 -4.476 1.00 0.00 H new ATOM 0 HB THR A 63 2.542 -6.541 -2.698 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.096 -8.429 -1.405 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.365 -7.702 -2.921 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.909 -7.051 -4.486 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.069 -8.789 -4.141 1.00 0.00 H new ATOM 973 N ARG A 64 2.243 -7.512 -6.228 1.00 0.00 N ATOM 974 CA ARG A 64 1.714 -6.865 -7.461 1.00 0.00 C ATOM 975 C ARG A 64 0.305 -6.342 -7.196 1.00 0.00 C ATOM 976 O ARG A 64 0.102 -5.469 -6.376 1.00 0.00 O ATOM 977 CB ARG A 64 1.654 -7.906 -8.582 1.00 0.00 C ATOM 978 CG ARG A 64 3.041 -8.505 -8.832 1.00 0.00 C ATOM 979 CD ARG A 64 3.893 -7.528 -9.647 1.00 0.00 C ATOM 980 NE ARG A 64 5.177 -8.183 -10.016 1.00 0.00 N ATOM 981 CZ ARG A 64 6.221 -8.093 -9.235 1.00 0.00 C ATOM 982 NH1 ARG A 64 6.152 -7.442 -8.103 1.00 0.00 N ATOM 983 NH2 ARG A 64 7.336 -8.665 -9.589 1.00 0.00 N ATOM 0 H ARG A 64 1.873 -8.445 -6.044 1.00 0.00 H new ATOM 0 HA ARG A 64 2.364 -6.039 -7.749 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.953 -8.697 -8.315 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.281 -7.444 -9.496 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.529 -8.722 -7.882 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.947 -9.451 -9.365 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.357 -7.222 -10.545 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.086 -6.625 -9.068 1.00 0.00 H new ATOM 0 HE ARG A 64 5.243 -8.708 -10.888 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.277 -6.998 -7.822 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.973 -7.378 -7.501 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.389 -9.178 -10.469 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.156 -8.600 -8.986 1.00 0.00 H new ATOM 997 N GLU A 65 -0.659 -6.880 -7.905 1.00 0.00 N ATOM 998 CA GLU A 65 -2.080 -6.447 -7.746 1.00 0.00 C ATOM 999 C GLU A 65 -2.146 -4.947 -7.469 1.00 0.00 C ATOM 1000 O GLU A 65 -2.338 -4.514 -6.350 1.00 0.00 O ATOM 1001 CB GLU A 65 -2.736 -7.228 -6.605 1.00 0.00 C ATOM 1002 CG GLU A 65 -2.823 -8.713 -6.982 1.00 0.00 C ATOM 1003 CD GLU A 65 -3.751 -8.893 -8.189 1.00 0.00 C ATOM 1004 OE1 GLU A 65 -4.549 -8.002 -8.436 1.00 0.00 O ATOM 1005 OE2 GLU A 65 -3.646 -9.915 -8.846 1.00 0.00 O ATOM 0 H GLU A 65 -0.516 -7.614 -8.599 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.620 -6.652 -8.670 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.158 -7.108 -5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.733 -6.834 -6.407 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.830 -9.096 -7.216 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.196 -9.290 -6.136 1.00 0.00 H new ATOM 1012 N VAL A 66 -1.979 -4.154 -8.494 1.00 0.00 N ATOM 1013 CA VAL A 66 -2.019 -2.669 -8.330 1.00 0.00 C ATOM 1014 C VAL A 66 -3.061 -2.094 -9.281 1.00 0.00 C ATOM 1015 O VAL A 66 -3.103 -2.426 -10.450 1.00 0.00 O ATOM 1016 CB VAL A 66 -0.647 -2.079 -8.652 1.00 0.00 C ATOM 1017 CG1 VAL A 66 -0.703 -0.558 -8.496 1.00 0.00 C ATOM 1018 CG2 VAL A 66 0.393 -2.653 -7.687 1.00 0.00 C ATOM 0 H VAL A 66 -1.815 -4.474 -9.448 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.281 -2.419 -7.302 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.370 -2.332 -9.676 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.274 -0.133 -8.725 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.446 -0.149 -9.181 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.977 -0.307 -7.471 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.372 -2.233 -7.916 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.119 -2.398 -6.663 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.429 -3.737 -7.794 1.00 0.00 H new ATOM 1028 N LYS A 67 -3.909 -1.239 -8.779 1.00 0.00 N ATOM 1029 CA LYS A 67 -4.974 -0.624 -9.629 1.00 0.00 C ATOM 1030 C LYS A 67 -4.940 0.892 -9.466 1.00 0.00 C ATOM 1031 O LYS A 67 -4.772 1.412 -8.380 1.00 0.00 O ATOM 1032 CB LYS A 67 -6.338 -1.153 -9.193 1.00 0.00 C ATOM 1033 CG LYS A 67 -6.436 -2.639 -9.536 1.00 0.00 C ATOM 1034 CD LYS A 67 -7.780 -3.185 -9.056 1.00 0.00 C ATOM 1035 CE LYS A 67 -7.851 -4.687 -9.336 1.00 0.00 C ATOM 1036 NZ LYS A 67 -7.912 -4.917 -10.806 1.00 0.00 N ATOM 0 H LYS A 67 -3.911 -0.935 -7.805 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.801 -0.881 -10.674 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.473 -1.006 -8.121 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.133 -0.599 -9.693 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.337 -2.782 -10.612 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.620 -3.187 -9.065 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.900 -2.997 -7.989 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.596 -2.671 -9.564 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.979 -5.188 -8.915 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -8.729 -5.116 -8.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.229 -5.890 -10.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.582 -4.247 -11.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.968 -4.775 -11.219 1.00 0.00 H new ATOM 1050 N GLY A 68 -5.096 1.599 -10.550 1.00 0.00 N ATOM 1051 CA GLY A 68 -5.072 3.091 -10.503 1.00 0.00 C ATOM 1052 C GLY A 68 -6.493 3.642 -10.606 1.00 0.00 C ATOM 1053 O GLY A 68 -7.267 3.252 -11.458 1.00 0.00 O ATOM 0 H GLY A 68 -5.241 1.203 -11.479 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.610 3.426 -9.574 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.463 3.479 -11.320 1.00 0.00 H new ATOM 1057 N LYS A 69 -6.830 4.567 -9.752 1.00 0.00 N ATOM 1058 CA LYS A 69 -8.190 5.184 -9.786 1.00 0.00 C ATOM 1059 C LYS A 69 -8.100 6.526 -10.506 1.00 0.00 C ATOM 1060 O LYS A 69 -7.543 7.491 -9.999 1.00 0.00 O ATOM 1061 CB LYS A 69 -8.695 5.385 -8.357 1.00 0.00 C ATOM 1062 CG LYS A 69 -9.126 4.037 -7.778 1.00 0.00 C ATOM 1063 CD LYS A 69 -9.622 4.225 -6.344 1.00 0.00 C ATOM 1064 CE LYS A 69 -10.105 2.882 -5.788 1.00 0.00 C ATOM 1065 NZ LYS A 69 -11.352 2.474 -6.492 1.00 0.00 N ATOM 0 H LYS A 69 -6.215 4.928 -9.022 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.886 4.533 -10.315 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.911 5.824 -7.741 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.534 6.081 -8.350 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -9.915 3.603 -8.392 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.289 3.339 -7.795 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.821 4.621 -5.720 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.433 4.953 -6.321 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.334 2.123 -5.921 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.290 2.965 -4.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.853 1.760 -5.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.964 3.304 -6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -11.111 2.072 -7.420 1.00 0.00 H new ATOM 1079 N PHE A 70 -8.631 6.583 -11.700 1.00 0.00 N ATOM 1080 CA PHE A 70 -8.575 7.839 -12.501 1.00 0.00 C ATOM 1081 C PHE A 70 -9.926 8.549 -12.454 1.00 0.00 C ATOM 1082 O PHE A 70 -10.974 7.929 -12.435 1.00 0.00 O ATOM 1083 CB PHE A 70 -8.254 7.499 -13.958 1.00 0.00 C ATOM 1084 CG PHE A 70 -7.001 6.663 -14.023 1.00 0.00 C ATOM 1085 CD1 PHE A 70 -5.747 7.281 -14.073 1.00 0.00 C ATOM 1086 CD2 PHE A 70 -7.094 5.266 -14.038 1.00 0.00 C ATOM 1087 CE1 PHE A 70 -4.584 6.501 -14.137 1.00 0.00 C ATOM 1088 CE2 PHE A 70 -5.932 4.487 -14.103 1.00 0.00 C ATOM 1089 CZ PHE A 70 -4.678 5.105 -14.153 1.00 0.00 C ATOM 0 H PHE A 70 -9.105 5.804 -12.157 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.804 8.488 -12.085 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -9.087 6.958 -14.407 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.122 8.415 -14.534 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.675 8.359 -14.062 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -8.062 4.789 -13.999 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.616 6.978 -14.174 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.004 3.409 -14.115 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.782 4.504 -14.204 1.00 0.00 H new ATOM 1099 N ILE A 71 -9.893 9.849 -12.452 1.00 0.00 N ATOM 1100 CA ILE A 71 -11.142 10.664 -12.425 1.00 0.00 C ATOM 1101 C ILE A 71 -11.148 11.588 -13.641 1.00 0.00 C ATOM 1102 O ILE A 71 -10.148 12.195 -13.969 1.00 0.00 O ATOM 1103 CB ILE A 71 -11.190 11.496 -11.146 1.00 0.00 C ATOM 1104 CG1 ILE A 71 -11.290 10.559 -9.934 1.00 0.00 C ATOM 1105 CG2 ILE A 71 -12.409 12.421 -11.189 1.00 0.00 C ATOM 1106 CD1 ILE A 71 -11.149 11.359 -8.636 1.00 0.00 C ATOM 0 H ILE A 71 -9.033 10.397 -12.468 1.00 0.00 H new ATOM 0 HA ILE A 71 -12.013 10.009 -12.451 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.285 12.097 -11.063 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.247 10.037 -9.946 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.511 9.798 -9.988 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.446 13.017 -10.277 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -12.333 13.083 -12.052 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.317 11.823 -11.269 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.222 10.684 -7.783 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.181 11.860 -8.621 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.944 12.103 -8.579 1.00 0.00 H new ATOM 1118 N ASN A 72 -12.266 11.678 -14.316 1.00 0.00 N ATOM 1119 CA ASN A 72 -12.361 12.544 -15.534 1.00 0.00 C ATOM 1120 C ASN A 72 -11.560 13.835 -15.345 1.00 0.00 C ATOM 1121 O ASN A 72 -12.031 14.807 -14.789 1.00 0.00 O ATOM 1122 CB ASN A 72 -13.834 12.872 -15.820 1.00 0.00 C ATOM 1123 CG ASN A 72 -14.531 13.387 -14.554 1.00 0.00 C ATOM 1124 OD1 ASN A 72 -15.404 12.626 -13.949 1.00 0.00 O flip ATOM 1125 ND2 ASN A 72 -14.288 14.495 -14.118 1.00 0.00 N flip ATOM 0 H ASN A 72 -13.125 11.185 -14.074 1.00 0.00 H new ATOM 0 HA ASN A 72 -11.940 12.003 -16.382 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.898 13.623 -16.607 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -14.345 11.982 -16.186 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.607 15.090 -14.589 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.765 14.830 -13.281 1.00 0.00 H new ATOM 1132 N GLY A 73 -10.341 13.836 -15.813 1.00 0.00 N ATOM 1133 CA GLY A 73 -9.475 15.041 -15.678 1.00 0.00 C ATOM 1134 C GLY A 73 -8.007 14.608 -15.604 1.00 0.00 C ATOM 1135 O GLY A 73 -7.204 14.946 -16.455 1.00 0.00 O ATOM 0 H GLY A 73 -9.905 13.045 -16.287 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.626 15.708 -16.527 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.747 15.599 -14.782 1.00 0.00 H new ATOM 1139 N ARG A 74 -7.650 13.861 -14.595 1.00 0.00 N ATOM 1140 CA ARG A 74 -6.235 13.403 -14.463 1.00 0.00 C ATOM 1141 C ARG A 74 -6.096 12.511 -13.211 1.00 0.00 C ATOM 1142 O ARG A 74 -6.812 12.687 -12.246 1.00 0.00 O ATOM 1143 CB ARG A 74 -5.313 14.621 -14.317 1.00 0.00 C ATOM 1144 CG ARG A 74 -5.925 15.621 -13.333 1.00 0.00 C ATOM 1145 CD ARG A 74 -4.861 16.635 -12.892 1.00 0.00 C ATOM 1146 NE ARG A 74 -3.903 15.977 -11.956 1.00 0.00 N ATOM 1147 CZ ARG A 74 -2.873 16.635 -11.485 1.00 0.00 C ATOM 1148 NH1 ARG A 74 -2.672 17.881 -11.820 1.00 0.00 N ATOM 1149 NH2 ARG A 74 -2.042 16.040 -10.674 1.00 0.00 N ATOM 0 H ARG A 74 -8.277 13.547 -13.855 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.956 12.836 -15.351 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.331 14.305 -13.965 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.166 15.095 -15.287 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.762 16.139 -13.801 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.321 15.095 -12.464 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.329 17.021 -13.762 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -5.335 17.487 -12.404 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.052 15.006 -11.681 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.320 18.350 -12.453 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -1.867 18.386 -11.448 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.196 15.067 -10.410 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -1.238 16.548 -10.304 1.00 0.00 H new ATOM 1163 N PRO A 75 -5.173 11.574 -13.221 1.00 0.00 N ATOM 1164 CA PRO A 75 -4.939 10.665 -12.065 1.00 0.00 C ATOM 1165 C PRO A 75 -5.103 11.392 -10.729 1.00 0.00 C ATOM 1166 O PRO A 75 -4.399 12.337 -10.433 1.00 0.00 O ATOM 1167 CB PRO A 75 -3.487 10.213 -12.267 1.00 0.00 C ATOM 1168 CG PRO A 75 -3.263 10.255 -13.753 1.00 0.00 C ATOM 1169 CD PRO A 75 -4.262 11.275 -14.333 1.00 0.00 C ATOM 0 HA PRO A 75 -5.650 9.840 -12.029 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -2.793 10.873 -11.746 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.329 9.209 -11.873 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.238 10.548 -13.980 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -3.418 9.270 -14.194 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -3.753 12.174 -14.682 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.800 10.862 -15.186 1.00 0.00 H new ATOM 1177 N THR A 76 -6.039 10.961 -9.927 1.00 0.00 N ATOM 1178 CA THR A 76 -6.278 11.621 -8.608 1.00 0.00 C ATOM 1179 C THR A 76 -5.864 10.690 -7.468 1.00 0.00 C ATOM 1180 O THR A 76 -5.415 11.133 -6.429 1.00 0.00 O ATOM 1181 CB THR A 76 -7.768 11.941 -8.476 1.00 0.00 C ATOM 1182 OG1 THR A 76 -8.182 12.712 -9.595 1.00 0.00 O ATOM 1183 CG2 THR A 76 -8.011 12.730 -7.188 1.00 0.00 C ATOM 0 H THR A 76 -6.654 10.173 -10.130 1.00 0.00 H new ATOM 0 HA THR A 76 -5.687 12.536 -8.553 1.00 0.00 H new ATOM 0 HB THR A 76 -8.340 11.014 -8.441 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.804 13.410 -9.300 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.073 12.957 -7.095 1.00 0.00 H new ATOM 0 HG22 THR A 76 -7.691 12.136 -6.332 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.442 13.659 -7.218 1.00 0.00 H new ATOM 1191 N ALA A 77 -6.026 9.402 -7.632 1.00 0.00 N ATOM 1192 CA ALA A 77 -5.645 8.475 -6.520 1.00 0.00 C ATOM 1193 C ALA A 77 -5.312 7.088 -7.060 1.00 0.00 C ATOM 1194 O ALA A 77 -5.683 6.725 -8.160 1.00 0.00 O ATOM 1195 CB ALA A 77 -6.807 8.359 -5.536 1.00 0.00 C ATOM 0 H ALA A 77 -6.398 8.957 -8.471 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.765 8.879 -6.020 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.531 7.684 -4.725 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.037 9.343 -5.127 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.683 7.967 -6.052 1.00 0.00 H new ATOM 1201 N ILE A 78 -4.613 6.312 -6.275 1.00 0.00 N ATOM 1202 CA ILE A 78 -4.229 4.929 -6.692 1.00 0.00 C ATOM 1203 C ILE A 78 -4.637 3.940 -5.603 1.00 0.00 C ATOM 1204 O ILE A 78 -4.730 4.278 -4.439 1.00 0.00 O ATOM 1205 CB ILE A 78 -2.719 4.862 -6.911 1.00 0.00 C ATOM 1206 CG1 ILE A 78 -2.352 5.752 -8.103 1.00 0.00 C ATOM 1207 CG2 ILE A 78 -2.307 3.414 -7.200 1.00 0.00 C ATOM 1208 CD1 ILE A 78 -0.833 5.918 -8.183 1.00 0.00 C ATOM 0 H ILE A 78 -4.286 6.582 -5.347 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.738 4.673 -7.622 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.198 5.209 -6.019 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.727 5.311 -9.026 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.828 6.727 -8.000 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.229 3.367 -7.356 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.579 2.783 -6.354 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.819 3.062 -8.095 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.581 6.552 -9.033 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.469 6.379 -7.265 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.366 4.941 -8.308 1.00 0.00 H new ATOM 1220 N GLU A 79 -4.897 2.719 -5.983 1.00 0.00 N ATOM 1221 CA GLU A 79 -5.319 1.684 -4.992 1.00 0.00 C ATOM 1222 C GLU A 79 -4.608 0.365 -5.295 1.00 0.00 C ATOM 1223 O GLU A 79 -4.233 0.087 -6.418 1.00 0.00 O ATOM 1224 CB GLU A 79 -6.839 1.497 -5.088 1.00 0.00 C ATOM 1225 CG GLU A 79 -7.304 0.436 -4.083 1.00 0.00 C ATOM 1226 CD GLU A 79 -8.824 0.269 -4.168 1.00 0.00 C ATOM 1227 OE1 GLU A 79 -9.275 -0.402 -5.081 1.00 0.00 O ATOM 1228 OE2 GLU A 79 -9.508 0.812 -3.317 1.00 0.00 O ATOM 0 H GLU A 79 -4.835 2.390 -6.946 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.054 2.002 -3.984 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.343 2.443 -4.889 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -7.113 1.196 -6.099 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.813 -0.515 -4.291 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -7.017 0.729 -3.073 1.00 0.00 H new ATOM 1235 N ALA A 80 -4.420 -0.449 -4.293 1.00 0.00 N ATOM 1236 CA ALA A 80 -3.734 -1.759 -4.503 1.00 0.00 C ATOM 1237 C ALA A 80 -4.243 -2.763 -3.469 1.00 0.00 C ATOM 1238 O ALA A 80 -4.692 -2.397 -2.400 1.00 0.00 O ATOM 1239 CB ALA A 80 -2.224 -1.585 -4.342 1.00 0.00 C ATOM 0 H ALA A 80 -4.712 -0.264 -3.333 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.947 -2.123 -5.508 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.729 -2.544 -4.496 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.860 -0.866 -5.076 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.005 -1.221 -3.338 1.00 0.00 H new ATOM 1245 N THR A 81 -4.180 -4.026 -3.791 1.00 0.00 N ATOM 1246 CA THR A 81 -4.663 -5.086 -2.851 1.00 0.00 C ATOM 1247 C THR A 81 -3.540 -6.084 -2.580 1.00 0.00 C ATOM 1248 O THR A 81 -2.897 -6.576 -3.487 1.00 0.00 O ATOM 1249 CB THR A 81 -5.852 -5.807 -3.487 1.00 0.00 C ATOM 1250 OG1 THR A 81 -6.861 -4.857 -3.796 1.00 0.00 O ATOM 1251 CG2 THR A 81 -6.408 -6.842 -2.508 1.00 0.00 C ATOM 0 H THR A 81 -3.811 -4.376 -4.675 1.00 0.00 H new ATOM 0 HA THR A 81 -4.968 -4.632 -1.908 1.00 0.00 H new ATOM 0 HB THR A 81 -5.530 -6.311 -4.398 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.625 -5.313 -4.206 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.255 -7.355 -2.963 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.632 -7.568 -2.266 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.734 -6.342 -1.596 1.00 0.00 H new ATOM 1259 N VAL A 82 -3.307 -6.384 -1.330 1.00 0.00 N ATOM 1260 CA VAL A 82 -2.229 -7.352 -0.960 1.00 0.00 C ATOM 1261 C VAL A 82 -2.867 -8.606 -0.372 1.00 0.00 C ATOM 1262 O VAL A 82 -3.731 -8.539 0.482 1.00 0.00 O ATOM 1263 CB VAL A 82 -1.300 -6.711 0.075 1.00 0.00 C ATOM 1264 CG1 VAL A 82 -0.347 -7.772 0.637 1.00 0.00 C ATOM 1265 CG2 VAL A 82 -0.491 -5.603 -0.597 1.00 0.00 C ATOM 0 H VAL A 82 -3.822 -5.996 -0.540 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.650 -7.617 -1.845 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.892 -6.292 0.889 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.314 -7.314 1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.925 -8.565 1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.249 -8.192 -0.173 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.173 -5.142 0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.101 -6.026 -1.409 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.169 -4.849 -0.997 1.00 0.00 H new ATOM 1275 N ILE A 83 -2.452 -9.751 -0.834 1.00 0.00 N ATOM 1276 CA ILE A 83 -3.028 -11.029 -0.326 1.00 0.00 C ATOM 1277 C ILE A 83 -2.134 -11.603 0.772 1.00 0.00 C ATOM 1278 O ILE A 83 -0.958 -11.849 0.575 1.00 0.00 O ATOM 1279 CB ILE A 83 -3.130 -12.032 -1.478 1.00 0.00 C ATOM 1280 CG1 ILE A 83 -3.722 -11.342 -2.715 1.00 0.00 C ATOM 1281 CG2 ILE A 83 -4.030 -13.201 -1.058 1.00 0.00 C ATOM 1282 CD1 ILE A 83 -5.006 -10.597 -2.333 1.00 0.00 C ATOM 0 H ILE A 83 -1.732 -9.859 -1.548 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.020 -10.839 0.085 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.136 -12.408 -1.720 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.997 -10.644 -3.134 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -3.936 -12.081 -3.487 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.104 -13.916 -1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -3.603 -13.693 -0.184 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.024 -12.826 -0.814 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.420 -10.110 -3.216 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.733 -11.305 -1.935 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.779 -9.846 -1.577 1.00 0.00 H new ATOM 1294 N LEU A 84 -2.694 -11.812 1.932 1.00 0.00 N ATOM 1295 CA LEU A 84 -1.912 -12.367 3.079 1.00 0.00 C ATOM 1296 C LEU A 84 -2.375 -13.793 3.369 1.00 0.00 C ATOM 1297 O LEU A 84 -3.457 -14.020 3.875 1.00 0.00 O ATOM 1298 CB LEU A 84 -2.150 -11.485 4.306 1.00 0.00 C ATOM 1299 CG LEU A 84 -1.762 -10.039 3.968 1.00 0.00 C ATOM 1300 CD1 LEU A 84 -2.047 -9.136 5.172 1.00 0.00 C ATOM 1301 CD2 LEU A 84 -0.267 -9.970 3.611 1.00 0.00 C ATOM 0 H LEU A 84 -3.674 -11.620 2.139 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.850 -12.382 2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.197 -11.533 4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.560 -11.846 5.148 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.349 -9.700 3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.771 -8.110 4.930 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.109 -9.179 5.415 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.465 -9.476 6.028 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.003 -8.941 3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.326 -10.313 4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.069 -10.607 2.749 1.00 0.00 H new ATOM 1313 N ASN A 85 -1.552 -14.753 3.046 1.00 0.00 N ATOM 1314 CA ASN A 85 -1.901 -16.190 3.287 1.00 0.00 C ATOM 1315 C ASN A 85 -1.017 -16.751 4.406 1.00 0.00 C ATOM 1316 O ASN A 85 -1.495 -17.297 5.380 1.00 0.00 O ATOM 1317 CB ASN A 85 -1.645 -16.991 2.003 1.00 0.00 C ATOM 1318 CG ASN A 85 -2.792 -16.768 1.017 1.00 0.00 C ATOM 1319 OD1 ASN A 85 -2.878 -15.634 0.384 1.00 0.00 O flip ATOM 1320 ND2 ASN A 85 -3.619 -17.634 0.825 1.00 0.00 N flip ATOM 0 H ASN A 85 -0.638 -14.604 2.619 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.950 -16.266 3.574 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -0.701 -16.683 1.553 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -1.555 -18.052 2.237 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -3.551 -18.523 1.321 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -4.382 -17.474 0.167 1.00 0.00 H new ATOM 1327 N SER A 86 0.277 -16.640 4.256 1.00 0.00 N ATOM 1328 CA SER A 86 1.206 -17.191 5.285 1.00 0.00 C ATOM 1329 C SER A 86 1.045 -16.445 6.615 1.00 0.00 C ATOM 1330 O SER A 86 0.781 -15.257 6.658 1.00 0.00 O ATOM 1331 CB SER A 86 2.653 -17.072 4.783 1.00 0.00 C ATOM 1332 OG SER A 86 3.401 -18.198 5.227 1.00 0.00 O ATOM 0 H SER A 86 0.731 -16.190 3.462 1.00 0.00 H new ATOM 0 HA SER A 86 0.965 -18.241 5.453 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.669 -17.017 3.694 1.00 0.00 H new ATOM 0 HB3 SER A 86 3.104 -16.152 5.155 1.00 0.00 H new ATOM 0 HG SER A 86 4.324 -18.125 4.906 1.00 0.00 H new ATOM 1338 N GLN A 87 1.205 -17.149 7.699 1.00 0.00 N ATOM 1339 CA GLN A 87 1.068 -16.520 9.041 1.00 0.00 C ATOM 1340 C GLN A 87 2.203 -15.507 9.281 1.00 0.00 C ATOM 1341 O GLN A 87 1.970 -14.429 9.791 1.00 0.00 O ATOM 1342 CB GLN A 87 1.106 -17.630 10.120 1.00 0.00 C ATOM 1343 CG GLN A 87 -0.065 -17.457 11.090 1.00 0.00 C ATOM 1344 CD GLN A 87 0.058 -18.451 12.245 1.00 0.00 C ATOM 1345 OE1 GLN A 87 -0.576 -19.486 12.239 1.00 0.00 O ATOM 1346 NE2 GLN A 87 0.849 -18.176 13.244 1.00 0.00 N ATOM 0 H GLN A 87 1.427 -18.144 7.713 1.00 0.00 H new ATOM 0 HA GLN A 87 0.120 -15.985 9.095 1.00 0.00 H new ATOM 0 HB2 GLN A 87 1.055 -18.611 9.647 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.049 -17.587 10.664 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -0.079 -16.438 11.477 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.008 -17.612 10.565 1.00 0.00 H new ATOM 0 HE21 GLN A 87 1.382 -17.306 13.248 1.00 0.00 H new ATOM 0 HE22 GLN A 87 0.935 -18.831 14.021 1.00 0.00 H new ATOM 1355 N PRO A 88 3.417 -15.850 8.929 1.00 0.00 N ATOM 1356 CA PRO A 88 4.587 -14.946 9.134 1.00 0.00 C ATOM 1357 C PRO A 88 4.343 -13.569 8.509 1.00 0.00 C ATOM 1358 O PRO A 88 4.748 -12.549 9.033 1.00 0.00 O ATOM 1359 CB PRO A 88 5.742 -15.674 8.424 1.00 0.00 C ATOM 1360 CG PRO A 88 5.339 -17.113 8.402 1.00 0.00 C ATOM 1361 CD PRO A 88 3.813 -17.119 8.298 1.00 0.00 C ATOM 0 HA PRO A 88 4.789 -14.758 10.189 1.00 0.00 H new ATOM 0 HB2 PRO A 88 5.889 -15.290 7.414 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.682 -15.536 8.957 1.00 0.00 H new ATOM 0 HG2 PRO A 88 5.790 -17.632 7.556 1.00 0.00 H new ATOM 0 HG3 PRO A 88 5.671 -17.626 9.305 1.00 0.00 H new ATOM 0 HD2 PRO A 88 3.482 -17.171 7.261 1.00 0.00 H new ATOM 0 HD3 PRO A 88 3.380 -17.976 8.814 1.00 0.00 H new ATOM 1369 N GLU A 89 3.676 -13.544 7.389 1.00 0.00 N ATOM 1370 CA GLU A 89 3.386 -12.249 6.707 1.00 0.00 C ATOM 1371 C GLU A 89 2.503 -11.380 7.607 1.00 0.00 C ATOM 1372 O GLU A 89 2.704 -10.187 7.733 1.00 0.00 O ATOM 1373 CB GLU A 89 2.645 -12.534 5.397 1.00 0.00 C ATOM 1374 CG GLU A 89 3.598 -13.189 4.396 1.00 0.00 C ATOM 1375 CD GLU A 89 2.824 -13.605 3.139 1.00 0.00 C ATOM 1376 OE1 GLU A 89 1.632 -13.356 3.089 1.00 0.00 O ATOM 1377 OE2 GLU A 89 3.443 -14.164 2.247 1.00 0.00 O ATOM 0 H GLU A 89 3.316 -14.371 6.912 1.00 0.00 H new ATOM 0 HA GLU A 89 4.319 -11.725 6.503 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.794 -13.188 5.585 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.249 -11.607 4.983 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.395 -12.494 4.130 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.072 -14.060 4.848 1.00 0.00 H new ATOM 1384 N TRP A 90 1.526 -11.972 8.236 1.00 0.00 N ATOM 1385 CA TRP A 90 0.620 -11.192 9.135 1.00 0.00 C ATOM 1386 C TRP A 90 1.421 -10.599 10.301 1.00 0.00 C ATOM 1387 O TRP A 90 1.188 -9.484 10.726 1.00 0.00 O ATOM 1388 CB TRP A 90 -0.477 -12.117 9.682 1.00 0.00 C ATOM 1389 CG TRP A 90 -1.568 -12.267 8.669 1.00 0.00 C ATOM 1390 CD1 TRP A 90 -1.750 -13.341 7.868 1.00 0.00 C ATOM 1391 CD2 TRP A 90 -2.630 -11.325 8.342 1.00 0.00 C ATOM 1392 NE1 TRP A 90 -2.857 -13.115 7.066 1.00 0.00 N ATOM 1393 CE2 TRP A 90 -3.432 -11.885 7.323 1.00 0.00 C ATOM 1394 CE3 TRP A 90 -2.968 -10.049 8.829 1.00 0.00 C ATOM 1395 CZ2 TRP A 90 -4.534 -11.203 6.802 1.00 0.00 C ATOM 1396 CZ3 TRP A 90 -4.076 -9.360 8.307 1.00 0.00 C ATOM 1397 CH2 TRP A 90 -4.857 -9.937 7.296 1.00 0.00 C ATOM 0 H TRP A 90 1.313 -12.967 8.168 1.00 0.00 H new ATOM 0 HA TRP A 90 0.165 -10.380 8.568 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -0.055 -13.093 9.923 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -0.882 -11.708 10.608 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -1.134 -14.228 7.855 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -3.205 -13.776 6.371 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -2.373 -9.597 9.608 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -5.132 -11.651 6.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -4.327 -8.381 8.687 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -5.708 -9.403 6.899 1.00 0.00 H new ATOM 1408 N ASP A 91 2.359 -11.338 10.823 1.00 0.00 N ATOM 1409 CA ASP A 91 3.173 -10.818 11.964 1.00 0.00 C ATOM 1410 C ASP A 91 3.910 -9.556 11.514 1.00 0.00 C ATOM 1411 O ASP A 91 3.897 -8.536 12.175 1.00 0.00 O ATOM 1412 CB ASP A 91 4.193 -11.882 12.379 1.00 0.00 C ATOM 1413 CG ASP A 91 4.831 -11.497 13.718 1.00 0.00 C ATOM 1414 OD1 ASP A 91 4.228 -10.718 14.437 1.00 0.00 O ATOM 1415 OD2 ASP A 91 5.909 -11.992 14.000 1.00 0.00 O ATOM 0 H ASP A 91 2.599 -12.279 10.512 1.00 0.00 H new ATOM 0 HA ASP A 91 2.525 -10.585 12.809 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.705 -12.853 12.464 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.963 -11.979 11.614 1.00 0.00 H new ATOM 1420 N ARG A 92 4.549 -9.626 10.382 1.00 0.00 N ATOM 1421 CA ARG A 92 5.290 -8.446 9.853 1.00 0.00 C ATOM 1422 C ARG A 92 4.290 -7.364 9.434 1.00 0.00 C ATOM 1423 O ARG A 92 4.486 -6.187 9.668 1.00 0.00 O ATOM 1424 CB ARG A 92 6.113 -8.878 8.636 1.00 0.00 C ATOM 1425 CG ARG A 92 6.949 -7.697 8.134 1.00 0.00 C ATOM 1426 CD ARG A 92 7.792 -8.135 6.934 1.00 0.00 C ATOM 1427 NE ARG A 92 8.780 -9.168 7.362 1.00 0.00 N ATOM 1428 CZ ARG A 92 9.915 -8.820 7.910 1.00 0.00 C ATOM 1429 NH1 ARG A 92 10.195 -7.560 8.111 1.00 0.00 N ATOM 1430 NH2 ARG A 92 10.772 -9.738 8.259 1.00 0.00 N ATOM 0 H ARG A 92 4.591 -10.458 9.794 1.00 0.00 H new ATOM 0 HA ARG A 92 5.951 -8.049 10.623 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.764 -9.710 8.902 1.00 0.00 H new ATOM 0 HB3 ARG A 92 5.452 -9.231 7.844 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.296 -6.871 7.850 1.00 0.00 H new ATOM 0 HG3 ARG A 92 7.596 -7.332 8.932 1.00 0.00 H new ATOM 0 HD2 ARG A 92 7.147 -8.537 6.152 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.311 -7.276 6.509 1.00 0.00 H new ATOM 0 HE ARG A 92 8.568 -10.156 7.226 1.00 0.00 H new ATOM 0 HH11 ARG A 92 9.526 -6.839 7.840 1.00 0.00 H new ATOM 0 HH12 ARG A 92 11.083 -7.297 8.539 1.00 0.00 H new ATOM 0 HH21 ARG A 92 10.556 -10.723 8.104 1.00 0.00 H new ATOM 0 HH22 ARG A 92 11.659 -9.472 8.687 1.00 0.00 H new ATOM 1444 N PHE A 93 3.223 -7.764 8.801 1.00 0.00 N ATOM 1445 CA PHE A 93 2.196 -6.782 8.342 1.00 0.00 C ATOM 1446 C PHE A 93 1.601 -6.037 9.546 1.00 0.00 C ATOM 1447 O PHE A 93 1.441 -4.830 9.532 1.00 0.00 O ATOM 1448 CB PHE A 93 1.080 -7.539 7.619 1.00 0.00 C ATOM 1449 CG PHE A 93 0.169 -6.560 6.926 1.00 0.00 C ATOM 1450 CD1 PHE A 93 -0.893 -5.976 7.623 1.00 0.00 C ATOM 1451 CD2 PHE A 93 0.390 -6.235 5.583 1.00 0.00 C ATOM 1452 CE1 PHE A 93 -1.733 -5.062 6.977 1.00 0.00 C ATOM 1453 CE2 PHE A 93 -0.450 -5.325 4.936 1.00 0.00 C ATOM 1454 CZ PHE A 93 -1.512 -4.738 5.634 1.00 0.00 C ATOM 0 H PHE A 93 3.015 -8.738 8.579 1.00 0.00 H new ATOM 0 HA PHE A 93 2.661 -6.059 7.672 1.00 0.00 H new ATOM 0 HB2 PHE A 93 1.508 -8.230 6.892 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.512 -8.137 8.332 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -1.065 -6.230 8.659 1.00 0.00 H new ATOM 0 HD2 PHE A 93 1.210 -6.688 5.046 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -2.552 -4.607 7.515 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.280 -5.075 3.899 1.00 0.00 H new ATOM 0 HZ PHE A 93 -2.162 -4.034 5.135 1.00 0.00 H new ATOM 1464 N MET A 94 1.267 -6.751 10.584 1.00 0.00 N ATOM 1465 CA MET A 94 0.676 -6.098 11.794 1.00 0.00 C ATOM 1466 C MET A 94 1.704 -5.153 12.421 1.00 0.00 C ATOM 1467 O MET A 94 1.383 -4.076 12.883 1.00 0.00 O ATOM 1468 CB MET A 94 0.288 -7.174 12.815 1.00 0.00 C ATOM 1469 CG MET A 94 -0.997 -7.871 12.366 1.00 0.00 C ATOM 1470 SD MET A 94 -1.440 -9.156 13.565 1.00 0.00 S ATOM 1471 CE MET A 94 -3.069 -9.555 12.882 1.00 0.00 C ATOM 0 H MET A 94 1.377 -7.763 10.650 1.00 0.00 H new ATOM 0 HA MET A 94 -0.209 -5.532 11.504 1.00 0.00 H new ATOM 0 HB2 MET A 94 1.093 -7.902 12.914 1.00 0.00 H new ATOM 0 HB3 MET A 94 0.144 -6.723 13.797 1.00 0.00 H new ATOM 0 HG2 MET A 94 -1.806 -7.145 12.280 1.00 0.00 H new ATOM 0 HG3 MET A 94 -0.858 -8.312 11.379 1.00 0.00 H new ATOM 0 HE1 MET A 94 -3.532 -10.341 13.479 1.00 0.00 H new ATOM 0 HE2 MET A 94 -3.699 -8.666 12.901 1.00 0.00 H new ATOM 0 HE3 MET A 94 -2.958 -9.899 11.854 1.00 0.00 H new ATOM 1481 N ARG A 95 2.939 -5.558 12.447 1.00 0.00 N ATOM 1482 CA ARG A 95 4.001 -4.702 13.051 1.00 0.00 C ATOM 1483 C ARG A 95 4.102 -3.380 12.284 1.00 0.00 C ATOM 1484 O ARG A 95 4.262 -2.321 12.857 1.00 0.00 O ATOM 1485 CB ARG A 95 5.345 -5.429 12.969 1.00 0.00 C ATOM 1486 CG ARG A 95 6.398 -4.702 13.828 1.00 0.00 C ATOM 1487 CD ARG A 95 6.316 -5.197 15.277 1.00 0.00 C ATOM 1488 NE ARG A 95 7.342 -4.502 16.101 1.00 0.00 N ATOM 1489 CZ ARG A 95 8.547 -4.994 16.216 1.00 0.00 C ATOM 1490 NH1 ARG A 95 8.878 -6.098 15.599 1.00 0.00 N ATOM 1491 NH2 ARG A 95 9.425 -4.374 16.949 1.00 0.00 N ATOM 0 H ARG A 95 3.264 -6.450 12.074 1.00 0.00 H new ATOM 0 HA ARG A 95 3.749 -4.500 14.092 1.00 0.00 H new ATOM 0 HB2 ARG A 95 5.232 -6.457 13.313 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.679 -5.474 11.933 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.396 -4.883 13.428 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.231 -3.626 13.791 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.321 -5.008 15.681 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.475 -6.275 15.313 1.00 0.00 H new ATOM 0 HE ARG A 95 7.102 -3.634 16.580 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.193 -6.584 15.021 1.00 0.00 H new ATOM 0 HH12 ARG A 95 9.822 -6.473 15.696 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.171 -3.511 17.429 1.00 0.00 H new ATOM 0 HH22 ARG A 95 10.368 -4.751 17.044 1.00 0.00 H new ATOM 1505 N PHE A 96 4.022 -3.443 10.986 1.00 0.00 N ATOM 1506 CA PHE A 96 4.121 -2.206 10.158 1.00 0.00 C ATOM 1507 C PHE A 96 2.990 -1.242 10.531 1.00 0.00 C ATOM 1508 O PHE A 96 3.191 -0.052 10.675 1.00 0.00 O ATOM 1509 CB PHE A 96 4.004 -2.581 8.679 1.00 0.00 C ATOM 1510 CG PHE A 96 4.034 -1.329 7.835 1.00 0.00 C ATOM 1511 CD1 PHE A 96 2.843 -0.651 7.550 1.00 0.00 C ATOM 1512 CD2 PHE A 96 5.250 -0.845 7.342 1.00 0.00 C ATOM 1513 CE1 PHE A 96 2.869 0.511 6.770 1.00 0.00 C ATOM 1514 CE2 PHE A 96 5.277 0.316 6.562 1.00 0.00 C ATOM 1515 CZ PHE A 96 4.087 0.995 6.278 1.00 0.00 C ATOM 0 H PHE A 96 3.891 -4.305 10.457 1.00 0.00 H new ATOM 0 HA PHE A 96 5.080 -1.721 10.341 1.00 0.00 H new ATOM 0 HB2 PHE A 96 4.822 -3.243 8.395 1.00 0.00 H new ATOM 0 HB3 PHE A 96 3.077 -3.127 8.504 1.00 0.00 H new ATOM 0 HD1 PHE A 96 1.904 -1.024 7.932 1.00 0.00 H new ATOM 0 HD2 PHE A 96 6.169 -1.368 7.564 1.00 0.00 H new ATOM 0 HE1 PHE A 96 1.950 1.034 6.548 1.00 0.00 H new ATOM 0 HE2 PHE A 96 6.216 0.688 6.179 1.00 0.00 H new ATOM 0 HZ PHE A 96 4.108 1.893 5.679 1.00 0.00 H new ATOM 1525 N MET A 97 1.798 -1.750 10.681 1.00 0.00 N ATOM 1526 CA MET A 97 0.646 -0.867 11.039 1.00 0.00 C ATOM 1527 C MET A 97 0.885 -0.247 12.420 1.00 0.00 C ATOM 1528 O MET A 97 0.604 0.914 12.654 1.00 0.00 O ATOM 1529 CB MET A 97 -0.633 -1.704 11.083 1.00 0.00 C ATOM 1530 CG MET A 97 -1.089 -2.025 9.659 1.00 0.00 C ATOM 1531 SD MET A 97 -2.580 -3.051 9.718 1.00 0.00 S ATOM 1532 CE MET A 97 -3.674 -1.826 10.478 1.00 0.00 C ATOM 0 H MET A 97 1.569 -2.738 10.572 1.00 0.00 H new ATOM 0 HA MET A 97 0.549 -0.076 10.295 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.456 -2.627 11.635 1.00 0.00 H new ATOM 0 HB3 MET A 97 -1.416 -1.161 11.612 1.00 0.00 H new ATOM 0 HG2 MET A 97 -1.291 -1.103 9.114 1.00 0.00 H new ATOM 0 HG3 MET A 97 -0.297 -2.546 9.121 1.00 0.00 H new ATOM 0 HE1 MET A 97 -4.705 -2.029 10.188 1.00 0.00 H new ATOM 0 HE2 MET A 97 -3.584 -1.882 11.563 1.00 0.00 H new ATOM 0 HE3 MET A 97 -3.392 -0.828 10.141 1.00 0.00 H new ATOM 1542 N GLU A 98 1.401 -1.015 13.334 1.00 0.00 N ATOM 1543 CA GLU A 98 1.666 -0.487 14.705 1.00 0.00 C ATOM 1544 C GLU A 98 2.787 0.555 14.645 1.00 0.00 C ATOM 1545 O GLU A 98 2.694 1.623 15.216 1.00 0.00 O ATOM 1546 CB GLU A 98 2.104 -1.645 15.608 1.00 0.00 C ATOM 1547 CG GLU A 98 0.947 -2.632 15.791 1.00 0.00 C ATOM 1548 CD GLU A 98 -0.192 -1.956 16.557 1.00 0.00 C ATOM 1549 OE1 GLU A 98 0.073 -0.967 17.220 1.00 0.00 O ATOM 1550 OE2 GLU A 98 -1.307 -2.441 16.468 1.00 0.00 O ATOM 0 H GLU A 98 1.654 -1.993 13.193 1.00 0.00 H new ATOM 0 HA GLU A 98 0.762 -0.025 15.101 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.962 -2.155 15.170 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.422 -1.261 16.577 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.591 -2.974 14.819 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.290 -3.513 16.333 1.00 0.00 H new ATOM 1557 N ARG A 99 3.848 0.245 13.955 1.00 0.00 N ATOM 1558 CA ARG A 99 4.984 1.208 13.851 1.00 0.00 C ATOM 1559 C ARG A 99 4.549 2.443 13.063 1.00 0.00 C ATOM 1560 O ARG A 99 4.846 3.566 13.422 1.00 0.00 O ATOM 1561 CB ARG A 99 6.148 0.527 13.118 1.00 0.00 C ATOM 1562 CG ARG A 99 6.789 -0.549 14.013 1.00 0.00 C ATOM 1563 CD ARG A 99 7.860 0.083 14.916 1.00 0.00 C ATOM 1564 NE ARG A 99 9.006 0.535 14.075 1.00 0.00 N ATOM 1565 CZ ARG A 99 10.022 1.156 14.615 1.00 0.00 C ATOM 1566 NH1 ARG A 99 10.041 1.406 15.896 1.00 0.00 N ATOM 1567 NH2 ARG A 99 11.020 1.535 13.866 1.00 0.00 N ATOM 0 H ARG A 99 3.980 -0.635 13.457 1.00 0.00 H new ATOM 0 HA ARG A 99 5.295 1.512 14.851 1.00 0.00 H new ATOM 0 HB2 ARG A 99 5.789 0.074 12.194 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.895 1.270 12.839 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.024 -1.028 14.624 1.00 0.00 H new ATOM 0 HG3 ARG A 99 7.237 -1.327 13.395 1.00 0.00 H new ATOM 0 HD2 ARG A 99 7.440 0.927 15.463 1.00 0.00 H new ATOM 0 HD3 ARG A 99 8.200 -0.640 15.657 1.00 0.00 H new ATOM 0 HE ARG A 99 8.997 0.358 13.070 1.00 0.00 H new ATOM 0 HH11 ARG A 99 9.259 1.116 16.484 1.00 0.00 H new ATOM 0 HH12 ARG A 99 10.838 1.891 16.309 1.00 0.00 H new ATOM 0 HH21 ARG A 99 11.006 1.347 12.864 1.00 0.00 H new ATOM 0 HH22 ARG A 99 11.815 2.020 14.283 1.00 0.00 H new ATOM 1581 N TYR A 100 3.851 2.237 11.986 1.00 0.00 N ATOM 1582 CA TYR A 100 3.392 3.386 11.154 1.00 0.00 C ATOM 1583 C TYR A 100 2.405 4.243 11.956 1.00 0.00 C ATOM 1584 O TYR A 100 2.444 5.458 11.921 1.00 0.00 O ATOM 1585 CB TYR A 100 2.698 2.857 9.899 1.00 0.00 C ATOM 1586 CG TYR A 100 2.411 4.006 8.965 1.00 0.00 C ATOM 1587 CD1 TYR A 100 1.228 4.740 9.098 1.00 0.00 C ATOM 1588 CD2 TYR A 100 3.334 4.341 7.968 1.00 0.00 C ATOM 1589 CE1 TYR A 100 0.968 5.809 8.232 1.00 0.00 C ATOM 1590 CE2 TYR A 100 3.076 5.409 7.102 1.00 0.00 C ATOM 1591 CZ TYR A 100 1.891 6.143 7.236 1.00 0.00 C ATOM 1592 OH TYR A 100 1.635 7.194 6.385 1.00 0.00 O ATOM 0 H TYR A 100 3.575 1.317 11.641 1.00 0.00 H new ATOM 0 HA TYR A 100 4.252 3.993 10.871 1.00 0.00 H new ATOM 0 HB2 TYR A 100 3.330 2.120 9.404 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.770 2.352 10.168 1.00 0.00 H new ATOM 0 HD1 TYR A 100 0.516 4.482 9.868 1.00 0.00 H new ATOM 0 HD2 TYR A 100 4.248 3.774 7.867 1.00 0.00 H new ATOM 0 HE1 TYR A 100 0.054 6.376 8.333 1.00 0.00 H new ATOM 0 HE2 TYR A 100 3.789 5.667 6.332 1.00 0.00 H new ATOM 0 HH TYR A 100 2.462 7.454 5.929 1.00 0.00 H new ATOM 1602 N GLY A 101 1.516 3.611 12.671 1.00 0.00 N ATOM 1603 CA GLY A 101 0.512 4.373 13.475 1.00 0.00 C ATOM 1604 C GLY A 101 1.233 5.295 14.460 1.00 0.00 C ATOM 1605 O GLY A 101 0.844 6.428 14.674 1.00 0.00 O ATOM 0 H GLY A 101 1.439 2.596 12.735 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -0.128 4.959 12.815 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.135 3.682 14.016 1.00 0.00 H new ATOM 1609 N ALA A 102 2.281 4.810 15.062 1.00 0.00 N ATOM 1610 CA ALA A 102 3.041 5.643 16.039 1.00 0.00 C ATOM 1611 C ALA A 102 3.652 6.849 15.318 1.00 0.00 C ATOM 1612 O ALA A 102 3.671 7.952 15.830 1.00 0.00 O ATOM 1613 CB ALA A 102 4.164 4.796 16.641 1.00 0.00 C ATOM 0 H ALA A 102 2.647 3.869 14.920 1.00 0.00 H new ATOM 0 HA ALA A 102 2.371 5.992 16.825 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.727 5.394 17.357 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.736 3.931 17.148 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.830 4.458 15.847 1.00 0.00 H new ATOM 1619 N GLU A 103 4.146 6.643 14.129 1.00 0.00 N ATOM 1620 CA GLU A 103 4.755 7.770 13.360 1.00 0.00 C ATOM 1621 C GLU A 103 3.658 8.742 12.923 1.00 0.00 C ATOM 1622 O GLU A 103 3.831 9.944 12.946 1.00 0.00 O ATOM 1623 CB GLU A 103 5.460 7.214 12.119 1.00 0.00 C ATOM 1624 CG GLU A 103 6.676 6.395 12.547 1.00 0.00 C ATOM 1625 CD GLU A 103 7.346 5.777 11.316 1.00 0.00 C ATOM 1626 OE1 GLU A 103 6.862 6.011 10.222 1.00 0.00 O ATOM 1627 OE2 GLU A 103 8.333 5.082 11.490 1.00 0.00 O ATOM 0 H GLU A 103 4.155 5.741 13.653 1.00 0.00 H new ATOM 0 HA GLU A 103 5.475 8.292 13.990 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.773 6.592 11.546 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.770 8.031 11.467 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.385 7.030 13.078 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.372 5.610 13.239 1.00 0.00 H new ATOM 1634 N ASN A 104 2.527 8.220 12.520 1.00 0.00 N ATOM 1635 CA ASN A 104 1.392 9.092 12.069 1.00 0.00 C ATOM 1636 C ASN A 104 0.141 8.756 12.881 1.00 0.00 C ATOM 1637 O ASN A 104 -0.073 9.273 13.958 1.00 0.00 O ATOM 1638 CB ASN A 104 1.105 8.820 10.593 1.00 0.00 C ATOM 1639 CG ASN A 104 2.251 9.353 9.737 1.00 0.00 C ATOM 1640 OD1 ASN A 104 3.032 10.169 10.183 1.00 0.00 O ATOM 1641 ND2 ASN A 104 2.386 8.925 8.512 1.00 0.00 N ATOM 0 H ASN A 104 2.337 7.219 12.483 1.00 0.00 H new ATOM 0 HA ASN A 104 1.659 10.139 12.213 1.00 0.00 H new ATOM 0 HB2 ASN A 104 0.983 7.749 10.428 1.00 0.00 H new ATOM 0 HB3 ASN A 104 0.169 9.296 10.301 1.00 0.00 H new ATOM 0 HD21 ASN A 104 3.147 9.276 7.930 1.00 0.00 H new ATOM 0 HD22 ASN A 104 1.731 8.240 8.136 1.00 0.00 H new