USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 684 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 13 SER OG : rot 180:sc= -0.439 USER MOD Set 1.2: A 83 HIS : no HD1:sc= -0.342 K(o=-0.78,f=-1.9) USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.111 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0635 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 36:sc= 0.325 USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 150:sc= -0.224 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -130:sc= -0.36 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.356 USER MOD Single : A 35 LYS NZ :NH3+ 145:sc= 0.0944 (180deg=0) USER MOD Single : A 36 CYS SG : rot 26:sc= 1.21 USER MOD Single : A 37 LYS NZ :NH3+ -116:sc= -2.33 (180deg=-5.11!) USER MOD Single : A 44 SER OG : rot 180:sc= -0.354 USER MOD Single : A 47 SER OG : rot 44:sc= 0.856 USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -139:sc= -3.73 (180deg=-7.17!) USER MOD Single : A 54 TYR OH : rot -35:sc= 1.28 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.129 K(o=-0.13,f=-1.6!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 30:sc= -0.205 USER MOD Single : A 80 CYS SG : rot -78:sc= 0.405 USER MOD Single : A 87 HIS : no HD1:sc= -0.421 X(o=-0.42,f=-0.29) USER MOD Single : A 88 SER OG : rot 59:sc= -0.315 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= -0.0256 USER MOD Single : A 94 SER OG : rot 180:sc= 0.554 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.447 -10.141 10.368 1.00 0.00 N ATOM 2 CA GLY A 1 10.283 -11.583 10.296 1.00 0.00 C ATOM 3 C GLY A 1 8.818 -11.978 10.494 1.00 0.00 C ATOM 4 O GLY A 1 7.985 -11.138 10.831 1.00 0.00 O ATOM 0 H1 GLY A 1 10.932 -9.804 9.512 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.513 -9.688 10.438 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.013 -9.897 11.206 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.634 -11.945 9.329 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.899 -12.061 11.058 1.00 0.00 H new ATOM 8 N SER A 2 8.549 -13.257 10.277 1.00 0.00 N ATOM 9 CA SER A 2 7.199 -13.774 10.427 1.00 0.00 C ATOM 10 C SER A 2 7.215 -15.303 10.372 1.00 0.00 C ATOM 11 O SER A 2 7.814 -15.889 9.472 1.00 0.00 O ATOM 12 CB SER A 2 6.271 -13.213 9.348 1.00 0.00 C ATOM 13 OG SER A 2 4.935 -13.687 9.493 1.00 0.00 O ATOM 0 H SER A 2 9.243 -13.951 9.998 1.00 0.00 H new ATOM 0 HA SER A 2 6.817 -13.456 11.397 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.276 -12.124 9.396 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.649 -13.491 8.364 1.00 0.00 H new ATOM 0 HG SER A 2 4.374 -13.305 8.786 1.00 0.00 H new ATOM 19 N SER A 3 6.550 -15.905 11.347 1.00 0.00 N ATOM 20 CA SER A 3 6.480 -17.354 11.421 1.00 0.00 C ATOM 21 C SER A 3 5.240 -17.857 10.679 1.00 0.00 C ATOM 22 O SER A 3 5.354 -18.608 9.711 1.00 0.00 O ATOM 23 CB SER A 3 6.458 -17.831 12.875 1.00 0.00 C ATOM 24 OG SER A 3 7.252 -18.999 13.065 1.00 0.00 O ATOM 0 H SER A 3 6.055 -15.415 12.092 1.00 0.00 H new ATOM 0 HA SER A 3 7.371 -17.764 10.946 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.823 -17.035 13.523 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.430 -18.039 13.173 1.00 0.00 H new ATOM 0 HG SER A 3 7.214 -19.271 14.006 1.00 0.00 H new ATOM 30 N GLY A 4 4.085 -17.422 11.160 1.00 0.00 N ATOM 31 CA GLY A 4 2.825 -17.819 10.554 1.00 0.00 C ATOM 32 C GLY A 4 2.220 -16.670 9.745 1.00 0.00 C ATOM 33 O GLY A 4 2.084 -16.768 8.526 1.00 0.00 O ATOM 0 H GLY A 4 3.995 -16.799 11.962 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.985 -18.680 9.906 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.126 -18.130 11.330 1.00 0.00 H new ATOM 37 N SER A 5 1.873 -15.607 10.455 1.00 0.00 N ATOM 38 CA SER A 5 1.286 -14.440 9.818 1.00 0.00 C ATOM 39 C SER A 5 1.599 -13.185 10.635 1.00 0.00 C ATOM 40 O SER A 5 1.559 -13.214 11.864 1.00 0.00 O ATOM 41 CB SER A 5 -0.227 -14.604 9.656 1.00 0.00 C ATOM 42 OG SER A 5 -0.701 -14.011 8.450 1.00 0.00 O ATOM 0 H SER A 5 1.987 -15.529 11.466 1.00 0.00 H new ATOM 0 HA SER A 5 1.722 -14.337 8.824 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.480 -15.664 9.663 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.734 -14.150 10.507 1.00 0.00 H new ATOM 0 HG SER A 5 -1.670 -14.138 8.382 1.00 0.00 H new ATOM 48 N SER A 6 1.903 -12.112 9.919 1.00 0.00 N ATOM 49 CA SER A 6 2.223 -10.849 10.562 1.00 0.00 C ATOM 50 C SER A 6 2.005 -9.694 9.583 1.00 0.00 C ATOM 51 O SER A 6 2.852 -9.429 8.731 1.00 0.00 O ATOM 52 CB SER A 6 3.663 -10.843 11.078 1.00 0.00 C ATOM 53 OG SER A 6 3.747 -11.283 12.431 1.00 0.00 O ATOM 0 H SER A 6 1.934 -12.092 8.900 1.00 0.00 H new ATOM 0 HA SER A 6 1.559 -10.722 11.417 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.276 -11.488 10.448 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.073 -9.836 10.998 1.00 0.00 H new ATOM 0 HG SER A 6 3.086 -11.990 12.587 1.00 0.00 H new ATOM 59 N GLY A 7 0.865 -9.036 9.738 1.00 0.00 N ATOM 60 CA GLY A 7 0.525 -7.915 8.878 1.00 0.00 C ATOM 61 C GLY A 7 0.907 -6.586 9.533 1.00 0.00 C ATOM 62 O GLY A 7 1.177 -6.536 10.732 1.00 0.00 O ATOM 0 H GLY A 7 0.165 -9.258 10.446 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.041 -8.015 7.923 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.544 -7.926 8.666 1.00 0.00 H new ATOM 66 N VAL A 8 0.918 -5.542 8.717 1.00 0.00 N ATOM 67 CA VAL A 8 1.262 -4.217 9.202 1.00 0.00 C ATOM 68 C VAL A 8 0.179 -3.225 8.775 1.00 0.00 C ATOM 69 O VAL A 8 -0.172 -3.152 7.598 1.00 0.00 O ATOM 70 CB VAL A 8 2.658 -3.826 8.712 1.00 0.00 C ATOM 71 CG1 VAL A 8 3.717 -4.128 9.774 1.00 0.00 C ATOM 72 CG2 VAL A 8 2.990 -4.524 7.392 1.00 0.00 C ATOM 0 H VAL A 8 0.694 -5.587 7.723 1.00 0.00 H new ATOM 0 HA VAL A 8 1.300 -4.207 10.291 1.00 0.00 H new ATOM 0 HB VAL A 8 2.662 -2.751 8.533 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.700 -3.841 9.400 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.495 -3.564 10.680 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.712 -5.194 10.000 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.987 -4.229 7.065 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.959 -5.604 7.534 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.260 -4.236 6.635 1.00 0.00 H new ATOM 82 N MET A 9 -0.321 -2.485 9.754 1.00 0.00 N ATOM 83 CA MET A 9 -1.358 -1.501 9.493 1.00 0.00 C ATOM 84 C MET A 9 -0.761 -0.218 8.911 1.00 0.00 C ATOM 85 O MET A 9 0.074 0.426 9.544 1.00 0.00 O ATOM 86 CB MET A 9 -2.093 -1.177 10.795 1.00 0.00 C ATOM 87 CG MET A 9 -3.218 -2.181 11.055 1.00 0.00 C ATOM 88 SD MET A 9 -3.329 -2.536 12.800 1.00 0.00 S ATOM 89 CE MET A 9 -2.998 -4.290 12.782 1.00 0.00 C ATOM 0 H MET A 9 -0.027 -2.547 10.729 1.00 0.00 H new ATOM 0 HA MET A 9 -2.055 -1.918 8.766 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.389 -1.191 11.627 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.505 -0.169 10.743 1.00 0.00 H new ATOM 0 HG2 MET A 9 -4.165 -1.779 10.697 1.00 0.00 H new ATOM 0 HG3 MET A 9 -3.032 -3.100 10.500 1.00 0.00 H new ATOM 0 HE1 MET A 9 -3.029 -4.677 13.801 1.00 0.00 H new ATOM 0 HE2 MET A 9 -3.751 -4.796 12.179 1.00 0.00 H new ATOM 0 HE3 MET A 9 -2.011 -4.470 12.356 1.00 0.00 H new ATOM 99 N VAL A 10 -1.214 0.115 7.711 1.00 0.00 N ATOM 100 CA VAL A 10 -0.735 1.310 7.036 1.00 0.00 C ATOM 101 C VAL A 10 -1.932 2.144 6.575 1.00 0.00 C ATOM 102 O VAL A 10 -2.996 1.601 6.281 1.00 0.00 O ATOM 103 CB VAL A 10 0.201 0.923 5.889 1.00 0.00 C ATOM 104 CG1 VAL A 10 1.349 0.045 6.390 1.00 0.00 C ATOM 105 CG2 VAL A 10 -0.569 0.230 4.763 1.00 0.00 C ATOM 0 H VAL A 10 -1.907 -0.421 7.189 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.152 1.927 7.719 1.00 0.00 H new ATOM 0 HB VAL A 10 0.632 1.839 5.485 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.999 -0.216 5.555 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.923 0.589 7.140 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.944 -0.865 6.833 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.120 -0.034 3.961 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.042 -0.674 5.148 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.334 0.904 4.377 1.00 0.00 H new ATOM 115 N PHE A 11 -1.718 3.451 6.527 1.00 0.00 N ATOM 116 CA PHE A 11 -2.766 4.366 6.108 1.00 0.00 C ATOM 117 C PHE A 11 -2.696 4.627 4.602 1.00 0.00 C ATOM 118 O PHE A 11 -1.838 5.376 4.137 1.00 0.00 O ATOM 119 CB PHE A 11 -2.536 5.682 6.852 1.00 0.00 C ATOM 120 CG PHE A 11 -3.032 5.673 8.300 1.00 0.00 C ATOM 121 CD1 PHE A 11 -4.320 6.008 8.580 1.00 0.00 C ATOM 122 CD2 PHE A 11 -2.184 5.330 9.307 1.00 0.00 C ATOM 123 CE1 PHE A 11 -4.780 5.999 9.923 1.00 0.00 C ATOM 124 CE2 PHE A 11 -2.644 5.322 10.650 1.00 0.00 C ATOM 125 CZ PHE A 11 -3.932 5.657 10.930 1.00 0.00 C ATOM 0 H PHE A 11 -0.834 3.898 6.771 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.743 3.938 6.331 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.470 5.910 6.845 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.037 6.485 6.312 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -4.993 6.281 7.781 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.161 5.064 9.085 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.803 6.264 10.145 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.971 5.050 11.450 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.281 5.651 11.952 1.00 0.00 H new ATOM 135 N ILE A 12 -3.609 3.994 3.880 1.00 0.00 N ATOM 136 CA ILE A 12 -3.661 4.148 2.436 1.00 0.00 C ATOM 137 C ILE A 12 -4.451 5.412 2.091 1.00 0.00 C ATOM 138 O ILE A 12 -5.510 5.663 2.666 1.00 0.00 O ATOM 139 CB ILE A 12 -4.213 2.880 1.782 1.00 0.00 C ATOM 140 CG1 ILE A 12 -3.545 1.630 2.358 1.00 0.00 C ATOM 141 CG2 ILE A 12 -4.084 2.948 0.259 1.00 0.00 C ATOM 142 CD1 ILE A 12 -2.141 1.443 1.780 1.00 0.00 C ATOM 0 H ILE A 12 -4.319 3.373 4.268 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.658 4.278 2.030 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.276 2.812 2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.487 1.712 3.443 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.153 0.753 2.136 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.484 2.034 -0.181 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.643 3.806 -0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.034 3.052 -0.013 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.688 0.548 2.206 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.204 1.337 0.697 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.528 2.311 2.025 1.00 0.00 H new ATOM 154 N SER A 13 -3.907 6.174 1.154 1.00 0.00 N ATOM 155 CA SER A 13 -4.548 7.405 0.725 1.00 0.00 C ATOM 156 C SER A 13 -4.647 7.440 -0.801 1.00 0.00 C ATOM 157 O SER A 13 -4.065 6.598 -1.484 1.00 0.00 O ATOM 158 CB SER A 13 -3.785 8.630 1.235 1.00 0.00 C ATOM 159 OG SER A 13 -2.499 8.284 1.743 1.00 0.00 O ATOM 0 H SER A 13 -3.029 5.963 0.680 1.00 0.00 H new ATOM 0 HA SER A 13 -5.552 7.433 1.149 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.673 9.351 0.425 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.365 9.118 2.018 1.00 0.00 H new ATOM 0 HG SER A 13 -2.043 9.093 2.057 1.00 0.00 H new ATOM 165 N SER A 14 -5.388 8.422 -1.292 1.00 0.00 N ATOM 166 CA SER A 14 -5.571 8.578 -2.725 1.00 0.00 C ATOM 167 C SER A 14 -6.201 9.939 -3.028 1.00 0.00 C ATOM 168 O SER A 14 -7.212 10.305 -2.432 1.00 0.00 O ATOM 169 CB SER A 14 -6.437 7.453 -3.295 1.00 0.00 C ATOM 170 OG SER A 14 -7.683 7.341 -2.613 1.00 0.00 O ATOM 0 H SER A 14 -5.869 9.118 -0.723 1.00 0.00 H new ATOM 0 HA SER A 14 -4.593 8.524 -3.202 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.619 7.636 -4.354 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.898 6.508 -3.223 1.00 0.00 H new ATOM 0 HG SER A 14 -8.365 7.005 -3.231 1.00 0.00 H new ATOM 176 N SER A 15 -5.576 10.651 -3.954 1.00 0.00 N ATOM 177 CA SER A 15 -6.063 11.964 -4.343 1.00 0.00 C ATOM 178 C SER A 15 -7.548 11.886 -4.703 1.00 0.00 C ATOM 179 O SER A 15 -8.257 12.890 -4.651 1.00 0.00 O ATOM 180 CB SER A 15 -5.261 12.522 -5.521 1.00 0.00 C ATOM 181 OG SER A 15 -4.791 13.843 -5.267 1.00 0.00 O ATOM 0 H SER A 15 -4.737 10.344 -4.446 1.00 0.00 H new ATOM 0 HA SER A 15 -5.935 12.640 -3.498 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.413 11.868 -5.725 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.884 12.524 -6.415 1.00 0.00 H new ATOM 0 HG SER A 15 -4.282 14.164 -6.041 1.00 0.00 H new ATOM 187 N LEU A 16 -7.975 10.683 -5.060 1.00 0.00 N ATOM 188 CA LEU A 16 -9.363 10.461 -5.428 1.00 0.00 C ATOM 189 C LEU A 16 -10.250 10.651 -4.195 1.00 0.00 C ATOM 190 O LEU A 16 -11.145 11.494 -4.194 1.00 0.00 O ATOM 191 CB LEU A 16 -9.528 9.096 -6.099 1.00 0.00 C ATOM 192 CG LEU A 16 -8.508 8.757 -7.188 1.00 0.00 C ATOM 193 CD1 LEU A 16 -8.086 7.289 -7.106 1.00 0.00 C ATOM 194 CD2 LEU A 16 -9.044 9.123 -8.574 1.00 0.00 C ATOM 0 H LEU A 16 -7.384 9.853 -5.102 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.683 11.195 -6.168 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.477 8.326 -5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.526 9.046 -6.535 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.615 9.358 -7.019 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.361 7.075 -7.891 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.636 7.094 -6.133 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.960 6.651 -7.236 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.300 8.872 -9.330 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.961 8.566 -8.768 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.254 10.192 -8.612 1.00 0.00 H new ATOM 206 N ASN A 17 -9.970 9.853 -3.176 1.00 0.00 N ATOM 207 CA ASN A 17 -10.730 9.922 -1.940 1.00 0.00 C ATOM 208 C ASN A 17 -10.363 11.205 -1.191 1.00 0.00 C ATOM 209 O ASN A 17 -9.269 11.739 -1.368 1.00 0.00 O ATOM 210 CB ASN A 17 -10.411 8.735 -1.028 1.00 0.00 C ATOM 211 CG ASN A 17 -11.463 7.634 -1.174 1.00 0.00 C ATOM 212 OD1 ASN A 17 -12.026 7.147 -0.207 1.00 0.00 O ATOM 213 ND2 ASN A 17 -11.695 7.270 -2.432 1.00 0.00 N ATOM 0 H ASN A 17 -9.227 9.155 -3.181 1.00 0.00 H new ATOM 0 HA ASN A 17 -11.789 9.905 -2.196 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.426 8.337 -1.274 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.370 9.069 0.009 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.380 6.542 -2.634 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -11.188 7.719 -3.195 1.00 0.00 H new ATOM 220 N SER A 18 -11.298 11.662 -0.371 1.00 0.00 N ATOM 221 CA SER A 18 -11.086 12.872 0.405 1.00 0.00 C ATOM 222 C SER A 18 -10.226 12.564 1.632 1.00 0.00 C ATOM 223 O SER A 18 -9.181 13.180 1.832 1.00 0.00 O ATOM 224 CB SER A 18 -12.418 13.493 0.832 1.00 0.00 C ATOM 225 OG SER A 18 -12.432 14.906 0.650 1.00 0.00 O ATOM 0 H SER A 18 -12.204 11.216 -0.227 1.00 0.00 H new ATOM 0 HA SER A 18 -10.564 13.594 -0.223 1.00 0.00 H new ATOM 0 HB2 SER A 18 -13.228 13.045 0.256 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.607 13.261 1.880 1.00 0.00 H new ATOM 0 HG SER A 18 -13.300 15.264 0.932 1.00 0.00 H new ATOM 231 N PHE A 19 -10.699 11.610 2.421 1.00 0.00 N ATOM 232 CA PHE A 19 -9.986 11.212 3.623 1.00 0.00 C ATOM 233 C PHE A 19 -9.117 9.979 3.362 1.00 0.00 C ATOM 234 O PHE A 19 -9.041 9.497 2.234 1.00 0.00 O ATOM 235 CB PHE A 19 -11.042 10.864 4.674 1.00 0.00 C ATOM 236 CG PHE A 19 -11.105 11.850 5.842 1.00 0.00 C ATOM 237 CD1 PHE A 19 -11.814 13.005 5.719 1.00 0.00 C ATOM 238 CD2 PHE A 19 -10.454 11.573 7.003 1.00 0.00 C ATOM 239 CE1 PHE A 19 -11.873 13.921 6.803 1.00 0.00 C ATOM 240 CE2 PHE A 19 -10.513 12.489 8.087 1.00 0.00 C ATOM 241 CZ PHE A 19 -11.221 13.643 7.964 1.00 0.00 C ATOM 0 H PHE A 19 -11.567 11.101 2.251 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.333 12.020 3.954 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -12.019 10.823 4.193 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.837 9.867 5.064 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -12.332 13.225 4.797 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -9.892 10.656 7.101 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -12.435 14.838 6.705 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -9.995 12.269 9.009 1.00 0.00 H new ATOM 0 HZ PHE A 19 -11.266 14.339 8.788 1.00 0.00 H new ATOM 251 N ARG A 20 -8.484 9.506 4.426 1.00 0.00 N ATOM 252 CA ARG A 20 -7.624 8.339 4.326 1.00 0.00 C ATOM 253 C ARG A 20 -8.395 7.077 4.718 1.00 0.00 C ATOM 254 O ARG A 20 -9.467 7.160 5.315 1.00 0.00 O ATOM 255 CB ARG A 20 -6.398 8.481 5.230 1.00 0.00 C ATOM 256 CG ARG A 20 -5.334 9.366 4.576 1.00 0.00 C ATOM 257 CD ARG A 20 -5.224 10.712 5.295 1.00 0.00 C ATOM 258 NE ARG A 20 -3.953 11.377 4.931 1.00 0.00 N ATOM 259 CZ ARG A 20 -3.738 11.999 3.764 1.00 0.00 C ATOM 260 NH1 ARG A 20 -4.708 12.045 2.841 1.00 0.00 N ATOM 261 NH2 ARG A 20 -2.553 12.576 3.520 1.00 0.00 N ATOM 0 H ARG A 20 -8.549 9.909 5.361 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.291 8.259 3.291 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.695 8.910 6.187 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.979 7.496 5.438 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.370 8.858 4.598 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.585 9.529 3.528 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.067 11.348 5.025 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.270 10.562 6.374 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.193 11.361 5.611 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.610 11.607 3.027 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.544 12.519 1.952 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.815 12.542 4.223 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.390 13.049 2.631 1.00 0.00 H new ATOM 275 N SER A 21 -7.818 5.937 4.366 1.00 0.00 N ATOM 276 CA SER A 21 -8.437 4.659 4.673 1.00 0.00 C ATOM 277 C SER A 21 -7.548 3.864 5.632 1.00 0.00 C ATOM 278 O SER A 21 -6.385 4.207 5.834 1.00 0.00 O ATOM 279 CB SER A 21 -8.698 3.853 3.399 1.00 0.00 C ATOM 280 OG SER A 21 -9.969 4.151 2.829 1.00 0.00 O ATOM 0 H SER A 21 -6.928 5.872 3.871 1.00 0.00 H new ATOM 0 HA SER A 21 -9.397 4.850 5.152 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.916 4.064 2.670 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.643 2.788 3.626 1.00 0.00 H new ATOM 0 HG SER A 21 -10.097 3.617 2.017 1.00 0.00 H new ATOM 286 N GLU A 22 -8.130 2.816 6.196 1.00 0.00 N ATOM 287 CA GLU A 22 -7.406 1.969 7.129 1.00 0.00 C ATOM 288 C GLU A 22 -7.415 0.518 6.645 1.00 0.00 C ATOM 289 O GLU A 22 -8.390 -0.203 6.854 1.00 0.00 O ATOM 290 CB GLU A 22 -7.989 2.082 8.539 1.00 0.00 C ATOM 291 CG GLU A 22 -7.299 1.108 9.496 1.00 0.00 C ATOM 292 CD GLU A 22 -8.109 0.939 10.784 1.00 0.00 C ATOM 293 OE1 GLU A 22 -8.201 1.937 11.531 1.00 0.00 O ATOM 294 OE2 GLU A 22 -8.618 -0.184 10.990 1.00 0.00 O ATOM 0 H GLU A 22 -9.095 2.534 6.025 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.372 2.310 7.172 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.871 3.102 8.905 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.059 1.875 8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.176 0.140 9.010 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.300 1.474 9.735 1.00 0.00 H new ATOM 301 N LYS A 23 -6.319 0.132 6.009 1.00 0.00 N ATOM 302 CA LYS A 23 -6.189 -1.220 5.494 1.00 0.00 C ATOM 303 C LYS A 23 -4.978 -1.894 6.142 1.00 0.00 C ATOM 304 O LYS A 23 -4.238 -1.259 6.893 1.00 0.00 O ATOM 305 CB LYS A 23 -6.142 -1.210 3.965 1.00 0.00 C ATOM 306 CG LYS A 23 -7.549 -1.093 3.374 1.00 0.00 C ATOM 307 CD LYS A 23 -7.990 -2.415 2.743 1.00 0.00 C ATOM 308 CE LYS A 23 -8.963 -2.174 1.588 1.00 0.00 C ATOM 309 NZ LYS A 23 -10.212 -2.941 1.794 1.00 0.00 N ATOM 0 H LYS A 23 -5.512 0.732 5.839 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.064 -1.813 5.758 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.529 -0.377 3.622 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.668 -2.123 3.606 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.253 -0.806 4.155 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.567 -0.303 2.623 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.117 -2.958 2.380 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.464 -3.042 3.498 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.191 -1.111 1.512 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.499 -2.469 0.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.862 -2.766 1.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.992 -3.956 1.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.661 -2.640 2.682 1.00 0.00 H new ATOM 323 N ARG A 24 -4.812 -3.170 5.828 1.00 0.00 N ATOM 324 CA ARG A 24 -3.703 -3.936 6.370 1.00 0.00 C ATOM 325 C ARG A 24 -3.095 -4.830 5.287 1.00 0.00 C ATOM 326 O ARG A 24 -3.811 -5.346 4.430 1.00 0.00 O ATOM 327 CB ARG A 24 -4.156 -4.806 7.544 1.00 0.00 C ATOM 328 CG ARG A 24 -3.037 -5.749 7.992 1.00 0.00 C ATOM 329 CD ARG A 24 -3.555 -6.773 9.004 1.00 0.00 C ATOM 330 NE ARG A 24 -3.294 -8.145 8.516 1.00 0.00 N ATOM 331 CZ ARG A 24 -3.837 -9.248 9.049 1.00 0.00 C ATOM 332 NH1 ARG A 24 -4.675 -9.147 10.090 1.00 0.00 N ATOM 333 NH2 ARG A 24 -3.543 -10.453 8.540 1.00 0.00 N ATOM 0 H ARG A 24 -5.427 -3.693 5.205 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.954 -3.228 6.725 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.456 -4.171 8.377 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.032 -5.387 7.254 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.623 -6.266 7.126 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.226 -5.172 8.436 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.068 -6.622 9.968 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.624 -6.632 9.162 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.661 -8.258 7.724 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.900 -8.230 10.477 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.088 -9.987 10.495 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.906 -10.530 7.747 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.956 -11.293 8.946 1.00 0.00 H new ATOM 347 N TYR A 25 -1.782 -4.986 5.361 1.00 0.00 N ATOM 348 CA TYR A 25 -1.070 -5.808 4.397 1.00 0.00 C ATOM 349 C TYR A 25 0.133 -6.496 5.046 1.00 0.00 C ATOM 350 O TYR A 25 0.639 -6.036 6.068 1.00 0.00 O ATOM 351 CB TYR A 25 -0.571 -4.851 3.313 1.00 0.00 C ATOM 352 CG TYR A 25 -1.653 -3.922 2.758 1.00 0.00 C ATOM 353 CD1 TYR A 25 -1.998 -2.776 3.445 1.00 0.00 C ATOM 354 CD2 TYR A 25 -2.283 -4.230 1.569 1.00 0.00 C ATOM 355 CE1 TYR A 25 -3.016 -1.902 2.923 1.00 0.00 C ATOM 356 CE2 TYR A 25 -3.301 -3.355 1.046 1.00 0.00 C ATOM 357 CZ TYR A 25 -3.617 -2.234 1.749 1.00 0.00 C ATOM 358 OH TYR A 25 -4.578 -1.408 1.255 1.00 0.00 O ATOM 0 H TYR A 25 -1.192 -4.557 6.074 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.723 -6.586 4.000 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.239 -4.246 3.721 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.151 -5.434 2.493 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.504 -2.535 4.375 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.013 -5.127 1.031 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.296 -1.003 3.452 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.802 -3.584 0.117 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.373 -1.932 1.024 1.00 0.00 H new ATOM 368 N SER A 26 0.555 -7.588 4.425 1.00 0.00 N ATOM 369 CA SER A 26 1.689 -8.344 4.930 1.00 0.00 C ATOM 370 C SER A 26 2.996 -7.706 4.455 1.00 0.00 C ATOM 371 O SER A 26 3.057 -7.146 3.362 1.00 0.00 O ATOM 372 CB SER A 26 1.619 -9.806 4.482 1.00 0.00 C ATOM 373 OG SER A 26 2.623 -10.603 5.104 1.00 0.00 O ATOM 0 H SER A 26 0.132 -7.967 3.578 1.00 0.00 H new ATOM 0 HA SER A 26 1.657 -8.323 6.019 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.635 -10.211 4.720 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.733 -9.859 3.399 1.00 0.00 H new ATOM 0 HG SER A 26 2.544 -11.529 4.794 1.00 0.00 H new ATOM 379 N ARG A 27 4.010 -7.812 5.302 1.00 0.00 N ATOM 380 CA ARG A 27 5.312 -7.252 4.983 1.00 0.00 C ATOM 381 C ARG A 27 5.998 -8.086 3.899 1.00 0.00 C ATOM 382 O ARG A 27 7.084 -7.740 3.438 1.00 0.00 O ATOM 383 CB ARG A 27 6.209 -7.202 6.222 1.00 0.00 C ATOM 384 CG ARG A 27 5.632 -6.257 7.278 1.00 0.00 C ATOM 385 CD ARG A 27 6.727 -5.758 8.223 1.00 0.00 C ATOM 386 NE ARG A 27 6.354 -6.045 9.626 1.00 0.00 N ATOM 387 CZ ARG A 27 7.180 -5.889 10.670 1.00 0.00 C ATOM 388 NH1 ARG A 27 8.430 -5.448 10.475 1.00 0.00 N ATOM 389 NH2 ARG A 27 6.757 -6.175 11.908 1.00 0.00 N ATOM 0 H ARG A 27 3.956 -8.277 6.208 1.00 0.00 H new ATOM 0 HA ARG A 27 5.156 -6.236 4.620 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.312 -8.203 6.642 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.208 -6.871 5.939 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.154 -5.408 6.789 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.860 -6.772 7.850 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.674 -6.242 7.983 1.00 0.00 H new ATOM 0 HD3 ARG A 27 6.874 -4.686 8.089 1.00 0.00 H new ATOM 0 HE ARG A 27 5.409 -6.383 9.810 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.753 -5.231 9.532 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.059 -5.329 11.269 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.806 -6.512 12.057 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.386 -6.056 12.702 1.00 0.00 H new ATOM 403 N SER A 28 5.334 -9.170 3.523 1.00 0.00 N ATOM 404 CA SER A 28 5.866 -10.056 2.502 1.00 0.00 C ATOM 405 C SER A 28 5.213 -9.751 1.152 1.00 0.00 C ATOM 406 O SER A 28 5.649 -10.257 0.120 1.00 0.00 O ATOM 407 CB SER A 28 5.647 -11.523 2.878 1.00 0.00 C ATOM 408 OG SER A 28 6.838 -12.132 3.368 1.00 0.00 O ATOM 0 H SER A 28 4.433 -9.454 3.907 1.00 0.00 H new ATOM 0 HA SER A 28 6.940 -9.884 2.426 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.867 -11.590 3.636 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.292 -12.072 2.006 1.00 0.00 H new ATOM 0 HG SER A 28 6.656 -13.067 3.599 1.00 0.00 H new ATOM 414 N LEU A 29 4.179 -8.924 1.205 1.00 0.00 N ATOM 415 CA LEU A 29 3.462 -8.546 -0.001 1.00 0.00 C ATOM 416 C LEU A 29 4.373 -7.689 -0.883 1.00 0.00 C ATOM 417 O LEU A 29 4.694 -6.554 -0.532 1.00 0.00 O ATOM 418 CB LEU A 29 2.136 -7.869 0.354 1.00 0.00 C ATOM 419 CG LEU A 29 0.895 -8.762 0.310 1.00 0.00 C ATOM 420 CD1 LEU A 29 -0.378 -7.942 0.528 1.00 0.00 C ATOM 421 CD2 LEU A 29 0.844 -9.566 -0.991 1.00 0.00 C ATOM 0 H LEU A 29 3.821 -8.505 2.063 1.00 0.00 H new ATOM 0 HA LEU A 29 3.197 -9.431 -0.580 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.222 -7.449 1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.983 -7.034 -0.329 1.00 0.00 H new ATOM 0 HG LEU A 29 0.960 -9.479 1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.246 -8.601 0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.334 -7.453 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.463 -7.187 -0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.048 -10.193 -0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.813 -8.883 -1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.730 -10.196 -1.064 1.00 0.00 H new ATOM 433 N THR A 30 4.763 -8.265 -2.010 1.00 0.00 N ATOM 434 CA THR A 30 5.631 -7.568 -2.945 1.00 0.00 C ATOM 435 C THR A 30 4.972 -6.270 -3.418 1.00 0.00 C ATOM 436 O THR A 30 3.795 -6.261 -3.774 1.00 0.00 O ATOM 437 CB THR A 30 5.966 -8.530 -4.086 1.00 0.00 C ATOM 438 OG1 THR A 30 4.707 -8.790 -4.702 1.00 0.00 O ATOM 439 CG2 THR A 30 6.424 -9.900 -3.582 1.00 0.00 C ATOM 0 H THR A 30 4.494 -9.206 -2.297 1.00 0.00 H new ATOM 0 HA THR A 30 6.565 -7.267 -2.469 1.00 0.00 H new ATOM 0 HB THR A 30 6.746 -8.094 -4.711 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.832 -9.405 -5.455 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.649 -10.544 -4.432 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.318 -9.782 -2.970 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.632 -10.351 -2.985 1.00 0.00 H new ATOM 447 N ILE A 31 5.761 -5.205 -3.405 1.00 0.00 N ATOM 448 CA ILE A 31 5.269 -3.905 -3.828 1.00 0.00 C ATOM 449 C ILE A 31 4.293 -4.088 -4.993 1.00 0.00 C ATOM 450 O ILE A 31 3.217 -3.493 -5.004 1.00 0.00 O ATOM 451 CB ILE A 31 6.437 -2.968 -4.145 1.00 0.00 C ATOM 452 CG1 ILE A 31 7.349 -2.798 -2.929 1.00 0.00 C ATOM 453 CG2 ILE A 31 5.933 -1.625 -4.677 1.00 0.00 C ATOM 454 CD1 ILE A 31 6.548 -2.364 -1.699 1.00 0.00 C ATOM 0 H ILE A 31 6.737 -5.216 -3.108 1.00 0.00 H new ATOM 0 HA ILE A 31 4.716 -3.425 -3.021 1.00 0.00 H new ATOM 0 HB ILE A 31 7.036 -3.423 -4.934 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.862 -3.737 -2.721 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.118 -2.056 -3.147 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.783 -0.978 -4.894 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.358 -1.787 -5.589 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.299 -1.152 -3.927 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.220 -2.250 -0.849 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.056 -1.413 -1.902 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.797 -3.119 -1.469 1.00 0.00 H new ATOM 466 N ALA A 32 4.705 -4.913 -5.944 1.00 0.00 N ATOM 467 CA ALA A 32 3.881 -5.181 -7.110 1.00 0.00 C ATOM 468 C ALA A 32 2.513 -5.693 -6.655 1.00 0.00 C ATOM 469 O ALA A 32 1.481 -5.139 -7.032 1.00 0.00 O ATOM 470 CB ALA A 32 4.599 -6.173 -8.026 1.00 0.00 C ATOM 0 H ALA A 32 5.599 -5.405 -5.931 1.00 0.00 H new ATOM 0 HA ALA A 32 3.718 -4.268 -7.683 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.980 -6.374 -8.901 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.552 -5.750 -8.345 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.777 -7.103 -7.486 1.00 0.00 H new ATOM 476 N GLU A 33 2.548 -6.746 -5.851 1.00 0.00 N ATOM 477 CA GLU A 33 1.323 -7.339 -5.341 1.00 0.00 C ATOM 478 C GLU A 33 0.524 -6.305 -4.545 1.00 0.00 C ATOM 479 O GLU A 33 -0.656 -6.086 -4.813 1.00 0.00 O ATOM 480 CB GLU A 33 1.625 -8.573 -4.488 1.00 0.00 C ATOM 481 CG GLU A 33 1.796 -9.816 -5.364 1.00 0.00 C ATOM 482 CD GLU A 33 0.527 -10.669 -5.358 1.00 0.00 C ATOM 483 OE1 GLU A 33 -0.388 -10.332 -6.140 1.00 0.00 O ATOM 484 OE2 GLU A 33 0.499 -11.640 -4.570 1.00 0.00 O ATOM 0 H GLU A 33 3.405 -7.204 -5.540 1.00 0.00 H new ATOM 0 HA GLU A 33 0.719 -7.662 -6.189 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.532 -8.405 -3.907 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.816 -8.734 -3.776 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.032 -9.516 -6.385 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.638 -10.407 -5.003 1.00 0.00 H new ATOM 491 N PHE A 34 1.200 -5.696 -3.581 1.00 0.00 N ATOM 492 CA PHE A 34 0.568 -4.691 -2.744 1.00 0.00 C ATOM 493 C PHE A 34 -0.321 -3.764 -3.576 1.00 0.00 C ATOM 494 O PHE A 34 -1.468 -3.507 -3.213 1.00 0.00 O ATOM 495 CB PHE A 34 1.690 -3.867 -2.110 1.00 0.00 C ATOM 496 CG PHE A 34 1.200 -2.791 -1.139 1.00 0.00 C ATOM 497 CD1 PHE A 34 -0.084 -2.813 -0.691 1.00 0.00 C ATOM 498 CD2 PHE A 34 2.048 -1.812 -0.724 1.00 0.00 C ATOM 499 CE1 PHE A 34 -0.539 -1.814 0.210 1.00 0.00 C ATOM 500 CE2 PHE A 34 1.593 -0.813 0.177 1.00 0.00 C ATOM 501 CZ PHE A 34 0.309 -0.835 0.625 1.00 0.00 C ATOM 0 H PHE A 34 2.179 -5.880 -3.361 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.058 -5.173 -1.993 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.366 -4.539 -1.581 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.269 -3.391 -2.901 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.758 -3.590 -1.020 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.068 -1.794 -1.080 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.559 -1.832 0.566 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.267 -0.036 0.506 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.037 -0.075 1.310 1.00 0.00 H new ATOM 511 N LYS A 35 0.242 -3.289 -4.677 1.00 0.00 N ATOM 512 CA LYS A 35 -0.485 -2.397 -5.564 1.00 0.00 C ATOM 513 C LYS A 35 -1.757 -3.094 -6.052 1.00 0.00 C ATOM 514 O LYS A 35 -2.813 -2.471 -6.147 1.00 0.00 O ATOM 515 CB LYS A 35 0.422 -1.910 -6.696 1.00 0.00 C ATOM 516 CG LYS A 35 1.688 -1.255 -6.140 1.00 0.00 C ATOM 517 CD LYS A 35 2.864 -1.431 -7.104 1.00 0.00 C ATOM 518 CE LYS A 35 3.598 -0.106 -7.320 1.00 0.00 C ATOM 519 NZ LYS A 35 3.243 0.475 -8.635 1.00 0.00 N ATOM 0 H LYS A 35 1.193 -3.505 -4.975 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.798 -1.500 -5.029 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.693 -2.749 -7.336 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.118 -1.196 -7.318 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.508 -0.194 -5.970 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.936 -1.695 -5.174 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.556 -2.174 -6.707 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.502 -1.811 -8.060 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.340 0.594 -6.525 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.675 -0.267 -7.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.215 1.512 -8.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.955 0.198 -9.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.309 0.124 -8.929 1.00 0.00 H new ATOM 533 N CYS A 36 -1.613 -4.377 -6.348 1.00 0.00 N ATOM 534 CA CYS A 36 -2.737 -5.166 -6.824 1.00 0.00 C ATOM 535 C CYS A 36 -3.885 -5.019 -5.823 1.00 0.00 C ATOM 536 O CYS A 36 -5.053 -5.019 -6.209 1.00 0.00 O ATOM 537 CB CYS A 36 -2.350 -6.631 -7.036 1.00 0.00 C ATOM 538 SG CYS A 36 -2.753 -7.143 -8.746 1.00 0.00 S ATOM 0 H CYS A 36 -0.735 -4.890 -6.268 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.056 -4.798 -7.799 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.285 -6.765 -6.849 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.881 -7.263 -6.324 1.00 0.00 H new ATOM 0 HG CYS A 36 -2.755 -6.100 -9.522 1.00 0.00 H new ATOM 544 N LYS A 37 -3.512 -4.895 -4.558 1.00 0.00 N ATOM 545 CA LYS A 37 -4.497 -4.747 -3.499 1.00 0.00 C ATOM 546 C LYS A 37 -5.075 -3.331 -3.541 1.00 0.00 C ATOM 547 O LYS A 37 -6.268 -3.137 -3.316 1.00 0.00 O ATOM 548 CB LYS A 37 -3.889 -5.124 -2.146 1.00 0.00 C ATOM 549 CG LYS A 37 -3.751 -6.642 -2.011 1.00 0.00 C ATOM 550 CD LYS A 37 -2.472 -7.138 -2.687 1.00 0.00 C ATOM 551 CE LYS A 37 -2.431 -8.667 -2.727 1.00 0.00 C ATOM 552 NZ LYS A 37 -1.512 -9.133 -3.789 1.00 0.00 N ATOM 0 H LYS A 37 -2.542 -4.894 -4.242 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.328 -5.435 -3.652 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.911 -4.655 -2.040 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.516 -4.739 -1.342 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.740 -6.917 -0.956 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.616 -7.131 -2.459 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.415 -6.742 -3.701 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.602 -6.761 -2.149 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.106 -9.053 -1.761 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.432 -9.059 -2.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.051 -9.653 -4.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.045 -8.314 -4.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.793 -9.760 -3.375 1.00 0.00 H new ATOM 566 N LEU A 38 -4.201 -2.378 -3.830 1.00 0.00 N ATOM 567 CA LEU A 38 -4.610 -0.985 -3.905 1.00 0.00 C ATOM 568 C LEU A 38 -5.513 -0.787 -5.124 1.00 0.00 C ATOM 569 O LEU A 38 -6.413 0.050 -5.104 1.00 0.00 O ATOM 570 CB LEU A 38 -3.386 -0.067 -3.890 1.00 0.00 C ATOM 571 CG LEU A 38 -2.321 -0.385 -2.839 1.00 0.00 C ATOM 572 CD1 LEU A 38 -1.252 0.709 -2.793 1.00 0.00 C ATOM 573 CD2 LEU A 38 -2.957 -0.622 -1.467 1.00 0.00 C ATOM 0 H LEU A 38 -3.212 -2.543 -4.015 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.196 -0.712 -3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.919 -0.102 -4.874 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.726 0.957 -3.735 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.823 -1.311 -3.127 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.507 0.458 -2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.769 0.787 -3.767 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.717 1.662 -2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.178 -0.846 -0.739 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.497 0.273 -1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.650 -1.462 -1.527 1.00 0.00 H new ATOM 585 N GLU A 39 -5.240 -1.572 -6.156 1.00 0.00 N ATOM 586 CA GLU A 39 -6.017 -1.494 -7.381 1.00 0.00 C ATOM 587 C GLU A 39 -7.505 -1.347 -7.058 1.00 0.00 C ATOM 588 O GLU A 39 -8.235 -0.661 -7.772 1.00 0.00 O ATOM 589 CB GLU A 39 -5.766 -2.715 -8.268 1.00 0.00 C ATOM 590 CG GLU A 39 -4.377 -2.653 -8.906 1.00 0.00 C ATOM 591 CD GLU A 39 -4.274 -3.617 -10.090 1.00 0.00 C ATOM 592 OE1 GLU A 39 -5.070 -3.439 -11.038 1.00 0.00 O ATOM 593 OE2 GLU A 39 -3.402 -4.509 -10.022 1.00 0.00 O ATOM 0 H GLU A 39 -4.492 -2.265 -6.169 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.697 -0.612 -7.935 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.857 -3.625 -7.675 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.526 -2.765 -9.048 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.172 -1.636 -9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.620 -2.902 -8.163 1.00 0.00 H new ATOM 600 N LEU A 40 -7.912 -2.004 -5.981 1.00 0.00 N ATOM 601 CA LEU A 40 -9.300 -1.955 -5.554 1.00 0.00 C ATOM 602 C LEU A 40 -9.498 -0.766 -4.612 1.00 0.00 C ATOM 603 O LEU A 40 -10.472 -0.025 -4.737 1.00 0.00 O ATOM 604 CB LEU A 40 -9.722 -3.296 -4.950 1.00 0.00 C ATOM 605 CG LEU A 40 -9.863 -4.460 -5.932 1.00 0.00 C ATOM 606 CD1 LEU A 40 -9.768 -5.804 -5.207 1.00 0.00 C ATOM 607 CD2 LEU A 40 -11.153 -4.337 -6.746 1.00 0.00 C ATOM 0 H LEU A 40 -7.304 -2.573 -5.392 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.957 -1.796 -6.409 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.993 -3.575 -4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.676 -3.158 -4.441 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.032 -4.415 -6.636 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.871 -6.615 -5.928 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.801 -5.882 -4.710 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.564 -5.874 -4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.229 -5.177 -7.437 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -12.010 -4.342 -6.073 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.140 -3.404 -7.310 1.00 0.00 H new ATOM 619 N VAL A 41 -8.558 -0.620 -3.689 1.00 0.00 N ATOM 620 CA VAL A 41 -8.617 0.466 -2.726 1.00 0.00 C ATOM 621 C VAL A 41 -8.948 1.770 -3.455 1.00 0.00 C ATOM 622 O VAL A 41 -9.695 2.601 -2.940 1.00 0.00 O ATOM 623 CB VAL A 41 -7.309 0.538 -1.937 1.00 0.00 C ATOM 624 CG1 VAL A 41 -7.310 1.731 -0.979 1.00 0.00 C ATOM 625 CG2 VAL A 41 -7.050 -0.769 -1.184 1.00 0.00 C ATOM 0 H VAL A 41 -7.751 -1.236 -3.588 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.410 0.289 -1.999 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.497 0.682 -2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.368 1.758 -0.431 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.426 2.654 -1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.137 1.632 -0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.114 -0.691 -0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.868 -0.956 -0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.984 -1.592 -1.896 1.00 0.00 H new ATOM 635 N VAL A 42 -8.375 1.910 -4.641 1.00 0.00 N ATOM 636 CA VAL A 42 -8.600 3.099 -5.446 1.00 0.00 C ATOM 637 C VAL A 42 -9.426 2.727 -6.678 1.00 0.00 C ATOM 638 O VAL A 42 -9.974 3.600 -7.350 1.00 0.00 O ATOM 639 CB VAL A 42 -7.262 3.753 -5.798 1.00 0.00 C ATOM 640 CG1 VAL A 42 -6.800 4.691 -4.681 1.00 0.00 C ATOM 641 CG2 VAL A 42 -6.198 2.696 -6.101 1.00 0.00 C ATOM 0 H VAL A 42 -7.755 1.220 -5.064 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.170 3.839 -4.884 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.407 4.350 -6.698 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.847 5.143 -4.956 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.543 5.474 -4.533 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.680 4.125 -3.757 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.257 3.187 -6.348 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.057 2.061 -5.227 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.521 2.086 -6.944 1.00 0.00 H new ATOM 651 N GLY A 43 -9.490 1.429 -6.939 1.00 0.00 N ATOM 652 CA GLY A 43 -10.241 0.931 -8.079 1.00 0.00 C ATOM 653 C GLY A 43 -9.550 1.300 -9.393 1.00 0.00 C ATOM 654 O GLY A 43 -10.183 1.314 -10.448 1.00 0.00 O ATOM 0 H GLY A 43 -9.034 0.707 -6.380 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.341 -0.152 -8.008 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.249 1.346 -8.065 1.00 0.00 H new ATOM 658 N SER A 44 -8.262 1.589 -9.287 1.00 0.00 N ATOM 659 CA SER A 44 -7.479 1.957 -10.454 1.00 0.00 C ATOM 660 C SER A 44 -6.395 0.907 -10.709 1.00 0.00 C ATOM 661 O SER A 44 -6.214 -0.010 -9.910 1.00 0.00 O ATOM 662 CB SER A 44 -6.848 3.340 -10.281 1.00 0.00 C ATOM 663 OG SER A 44 -7.167 3.918 -9.018 1.00 0.00 O ATOM 0 H SER A 44 -7.741 1.576 -8.410 1.00 0.00 H new ATOM 0 HA SER A 44 -8.147 1.998 -11.315 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.765 3.260 -10.380 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.193 3.998 -11.078 1.00 0.00 H new ATOM 0 HG SER A 44 -6.745 4.799 -8.945 1.00 0.00 H new ATOM 669 N PRO A 45 -5.683 1.083 -11.854 1.00 0.00 N ATOM 670 CA PRO A 45 -4.622 0.162 -12.224 1.00 0.00 C ATOM 671 C PRO A 45 -3.373 0.394 -11.372 1.00 0.00 C ATOM 672 O PRO A 45 -2.918 1.527 -11.226 1.00 0.00 O ATOM 673 CB PRO A 45 -4.384 0.410 -13.705 1.00 0.00 C ATOM 674 CG PRO A 45 -4.989 1.772 -14.002 1.00 0.00 C ATOM 675 CD PRO A 45 -5.869 2.158 -12.824 1.00 0.00 C ATOM 0 HA PRO A 45 -4.889 -0.880 -12.046 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.319 0.397 -13.937 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.852 -0.366 -14.311 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.204 2.514 -14.152 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.574 1.738 -14.921 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.574 3.122 -12.409 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.914 2.246 -13.122 1.00 0.00 H new ATOM 683 N ALA A 46 -2.853 -0.699 -10.831 1.00 0.00 N ATOM 684 CA ALA A 46 -1.665 -0.629 -9.997 1.00 0.00 C ATOM 685 C ALA A 46 -0.435 -0.430 -10.885 1.00 0.00 C ATOM 686 O ALA A 46 0.638 -0.080 -10.395 1.00 0.00 O ATOM 687 CB ALA A 46 -1.568 -1.892 -9.140 1.00 0.00 C ATOM 0 H ALA A 46 -3.233 -1.638 -10.954 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.722 0.222 -9.318 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.677 -1.840 -8.514 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.452 -1.971 -8.507 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.506 -2.767 -9.787 1.00 0.00 H new ATOM 693 N SER A 47 -0.632 -0.662 -12.174 1.00 0.00 N ATOM 694 CA SER A 47 0.449 -0.512 -13.135 1.00 0.00 C ATOM 695 C SER A 47 0.576 0.953 -13.555 1.00 0.00 C ATOM 696 O SER A 47 1.400 1.290 -14.405 1.00 0.00 O ATOM 697 CB SER A 47 0.222 -1.398 -14.361 1.00 0.00 C ATOM 698 OG SER A 47 0.476 -0.701 -15.578 1.00 0.00 O ATOM 0 H SER A 47 -1.523 -0.953 -12.576 1.00 0.00 H new ATOM 0 HA SER A 47 1.377 -0.828 -12.658 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.871 -2.272 -14.302 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.805 -1.763 -14.360 1.00 0.00 H new ATOM 0 HG SER A 47 1.301 -0.179 -15.490 1.00 0.00 H new ATOM 704 N CYS A 48 -0.251 1.786 -12.941 1.00 0.00 N ATOM 705 CA CYS A 48 -0.241 3.208 -13.241 1.00 0.00 C ATOM 706 C CYS A 48 -0.021 3.973 -11.935 1.00 0.00 C ATOM 707 O CYS A 48 0.985 4.664 -11.778 1.00 0.00 O ATOM 708 CB CYS A 48 -1.525 3.645 -13.949 1.00 0.00 C ATOM 709 SG CYS A 48 -1.333 3.467 -15.760 1.00 0.00 S ATOM 0 H CYS A 48 -0.933 1.504 -12.237 1.00 0.00 H new ATOM 0 HA CYS A 48 0.572 3.431 -13.932 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -2.364 3.042 -13.603 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -1.753 4.681 -13.699 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.430 3.839 -16.351 1.00 0.00 H new ATOM 715 N MET A 49 -0.977 3.824 -11.030 1.00 0.00 N ATOM 716 CA MET A 49 -0.900 4.492 -9.742 1.00 0.00 C ATOM 717 C MET A 49 0.488 4.326 -9.120 1.00 0.00 C ATOM 718 O MET A 49 1.154 3.315 -9.341 1.00 0.00 O ATOM 719 CB MET A 49 -1.955 3.909 -8.800 1.00 0.00 C ATOM 720 CG MET A 49 -1.376 2.758 -7.974 1.00 0.00 C ATOM 721 SD MET A 49 -2.611 2.135 -6.846 1.00 0.00 S ATOM 722 CE MET A 49 -3.604 1.172 -7.974 1.00 0.00 C ATOM 0 H MET A 49 -1.810 3.250 -11.163 1.00 0.00 H new ATOM 0 HA MET A 49 -1.084 5.555 -9.894 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.324 4.689 -8.134 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.808 3.553 -9.378 1.00 0.00 H new ATOM 0 HG2 MET A 49 -1.039 1.959 -8.634 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.504 3.101 -7.418 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.660 1.315 -7.742 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.410 1.495 -8.997 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.350 0.117 -7.873 1.00 0.00 H new ATOM 732 N GLU A 50 0.883 5.333 -8.355 1.00 0.00 N ATOM 733 CA GLU A 50 2.180 5.311 -7.700 1.00 0.00 C ATOM 734 C GLU A 50 2.008 5.140 -6.189 1.00 0.00 C ATOM 735 O GLU A 50 0.922 5.358 -5.656 1.00 0.00 O ATOM 736 CB GLU A 50 2.979 6.575 -8.022 1.00 0.00 C ATOM 737 CG GLU A 50 4.451 6.244 -8.276 1.00 0.00 C ATOM 738 CD GLU A 50 4.622 5.480 -9.591 1.00 0.00 C ATOM 739 OE1 GLU A 50 4.037 5.940 -10.595 1.00 0.00 O ATOM 740 OE2 GLU A 50 5.333 4.453 -9.561 1.00 0.00 O ATOM 0 H GLU A 50 0.328 6.169 -8.174 1.00 0.00 H new ATOM 0 HA GLU A 50 2.743 4.459 -8.081 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.556 7.063 -8.900 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.899 7.281 -7.195 1.00 0.00 H new ATOM 0 HG2 GLU A 50 5.034 7.164 -8.307 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.841 5.647 -7.451 1.00 0.00 H new ATOM 747 N LEU A 51 3.098 4.752 -5.542 1.00 0.00 N ATOM 748 CA LEU A 51 3.081 4.550 -4.104 1.00 0.00 C ATOM 749 C LEU A 51 4.039 5.544 -3.442 1.00 0.00 C ATOM 750 O LEU A 51 5.065 5.900 -4.019 1.00 0.00 O ATOM 751 CB LEU A 51 3.381 3.089 -3.764 1.00 0.00 C ATOM 752 CG LEU A 51 2.377 2.059 -4.287 1.00 0.00 C ATOM 753 CD1 LEU A 51 2.643 0.679 -3.683 1.00 0.00 C ATOM 754 CD2 LEU A 51 0.939 2.524 -4.045 1.00 0.00 C ATOM 0 H LEU A 51 3.998 4.572 -5.988 1.00 0.00 H new ATOM 0 HA LEU A 51 2.087 4.749 -3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.366 2.840 -4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.438 2.993 -2.680 1.00 0.00 H new ATOM 0 HG LEU A 51 2.509 1.969 -5.365 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.916 -0.034 -4.071 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.649 0.353 -3.949 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.554 0.734 -2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.245 1.774 -4.426 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.776 2.660 -2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.771 3.469 -4.561 1.00 0.00 H new ATOM 766 N GLU A 52 3.668 5.964 -2.242 1.00 0.00 N ATOM 767 CA GLU A 52 4.481 6.909 -1.496 1.00 0.00 C ATOM 768 C GLU A 52 4.530 6.517 -0.018 1.00 0.00 C ATOM 769 O GLU A 52 3.495 6.262 0.595 1.00 0.00 O ATOM 770 CB GLU A 52 3.959 8.337 -1.667 1.00 0.00 C ATOM 771 CG GLU A 52 4.080 8.794 -3.123 1.00 0.00 C ATOM 772 CD GLU A 52 4.686 10.196 -3.208 1.00 0.00 C ATOM 773 OE1 GLU A 52 3.980 11.145 -2.805 1.00 0.00 O ATOM 774 OE2 GLU A 52 5.842 10.287 -3.675 1.00 0.00 O ATOM 0 H GLU A 52 2.815 5.667 -1.768 1.00 0.00 H new ATOM 0 HA GLU A 52 5.495 6.878 -1.894 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.917 8.387 -1.352 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.520 9.013 -1.022 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.701 8.091 -3.678 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.096 8.790 -3.592 1.00 0.00 H new ATOM 781 N LEU A 53 5.744 6.481 0.512 1.00 0.00 N ATOM 782 CA LEU A 53 5.941 6.125 1.907 1.00 0.00 C ATOM 783 C LEU A 53 6.289 7.382 2.706 1.00 0.00 C ATOM 784 O LEU A 53 7.423 7.856 2.663 1.00 0.00 O ATOM 785 CB LEU A 53 6.981 5.009 2.033 1.00 0.00 C ATOM 786 CG LEU A 53 7.599 4.822 3.420 1.00 0.00 C ATOM 787 CD1 LEU A 53 6.546 4.367 4.433 1.00 0.00 C ATOM 788 CD2 LEU A 53 8.791 3.864 3.364 1.00 0.00 C ATOM 0 H LEU A 53 6.601 6.692 0.001 1.00 0.00 H new ATOM 0 HA LEU A 53 5.021 5.722 2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.515 4.070 1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.784 5.206 1.323 1.00 0.00 H new ATOM 0 HG LEU A 53 7.976 5.787 3.759 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.012 4.242 5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.758 5.117 4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.117 3.418 4.111 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.212 3.748 4.363 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.460 2.893 2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.551 4.267 2.694 1.00 0.00 H new ATOM 800 N TYR A 54 5.291 7.887 3.417 1.00 0.00 N ATOM 801 CA TYR A 54 5.478 9.081 4.225 1.00 0.00 C ATOM 802 C TYR A 54 5.753 8.717 5.685 1.00 0.00 C ATOM 803 O TYR A 54 5.237 7.720 6.189 1.00 0.00 O ATOM 804 CB TYR A 54 4.160 9.854 4.145 1.00 0.00 C ATOM 805 CG TYR A 54 3.963 10.614 2.831 1.00 0.00 C ATOM 806 CD1 TYR A 54 3.516 9.947 1.709 1.00 0.00 C ATOM 807 CD2 TYR A 54 4.234 11.966 2.768 1.00 0.00 C ATOM 808 CE1 TYR A 54 3.331 10.662 0.473 1.00 0.00 C ATOM 809 CE2 TYR A 54 4.049 12.680 1.532 1.00 0.00 C ATOM 810 CZ TYR A 54 3.607 11.993 0.445 1.00 0.00 C ATOM 811 OH TYR A 54 3.432 12.668 -0.722 1.00 0.00 O ATOM 0 H TYR A 54 4.351 7.492 3.450 1.00 0.00 H new ATOM 0 HA TYR A 54 6.326 9.661 3.862 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.333 9.156 4.277 1.00 0.00 H new ATOM 0 HB3 TYR A 54 4.115 10.562 4.973 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.305 8.889 1.758 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.585 12.488 3.646 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.981 10.152 -0.412 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.257 13.738 1.469 1.00 0.00 H new ATOM 0 HH TYR A 54 3.664 12.085 -1.475 1.00 0.00 H new ATOM 821 N GLY A 55 6.566 9.545 6.325 1.00 0.00 N ATOM 822 CA GLY A 55 6.916 9.323 7.718 1.00 0.00 C ATOM 823 C GLY A 55 5.724 9.604 8.634 1.00 0.00 C ATOM 824 O GLY A 55 4.617 9.132 8.382 1.00 0.00 O ATOM 0 H GLY A 55 6.992 10.371 5.905 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.249 8.294 7.854 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.751 9.967 7.994 1.00 0.00 H new ATOM 828 N ALA A 56 5.991 10.373 9.680 1.00 0.00 N ATOM 829 CA ALA A 56 4.954 10.723 10.636 1.00 0.00 C ATOM 830 C ALA A 56 4.300 12.040 10.213 1.00 0.00 C ATOM 831 O ALA A 56 3.159 12.052 9.755 1.00 0.00 O ATOM 832 CB ALA A 56 5.557 10.796 12.040 1.00 0.00 C ATOM 0 H ALA A 56 6.910 10.763 9.886 1.00 0.00 H new ATOM 0 HA ALA A 56 4.176 9.960 10.655 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.779 11.059 12.757 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.982 9.828 12.304 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.340 11.554 12.061 1.00 0.00 H new ATOM 838 N ASP A 57 5.052 13.118 10.381 1.00 0.00 N ATOM 839 CA ASP A 57 4.560 14.437 10.023 1.00 0.00 C ATOM 840 C ASP A 57 4.540 14.573 8.499 1.00 0.00 C ATOM 841 O ASP A 57 5.177 15.466 7.943 1.00 0.00 O ATOM 842 CB ASP A 57 5.468 15.535 10.583 1.00 0.00 C ATOM 843 CG ASP A 57 4.783 16.882 10.820 1.00 0.00 C ATOM 844 OD1 ASP A 57 3.592 16.854 11.199 1.00 0.00 O ATOM 845 OD2 ASP A 57 5.466 17.909 10.618 1.00 0.00 O ATOM 0 H ASP A 57 5.999 13.105 10.760 1.00 0.00 H new ATOM 0 HA ASP A 57 3.559 14.548 10.441 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.892 15.189 11.526 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.300 15.684 9.895 1.00 0.00 H new ATOM 850 N ASP A 58 3.802 13.672 7.867 1.00 0.00 N ATOM 851 CA ASP A 58 3.690 13.680 6.418 1.00 0.00 C ATOM 852 C ASP A 58 5.044 14.050 5.808 1.00 0.00 C ATOM 853 O ASP A 58 5.162 15.058 5.113 1.00 0.00 O ATOM 854 CB ASP A 58 2.663 14.713 5.950 1.00 0.00 C ATOM 855 CG ASP A 58 2.674 16.032 6.726 1.00 0.00 C ATOM 856 OD1 ASP A 58 2.224 16.008 7.892 1.00 0.00 O ATOM 857 OD2 ASP A 58 3.131 17.034 6.135 1.00 0.00 O ATOM 0 H ASP A 58 3.276 12.932 8.332 1.00 0.00 H new ATOM 0 HA ASP A 58 3.373 12.687 6.099 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.840 14.927 4.896 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.668 14.274 6.024 1.00 0.00 H new ATOM 862 N LYS A 59 6.033 13.214 6.091 1.00 0.00 N ATOM 863 CA LYS A 59 7.373 13.440 5.580 1.00 0.00 C ATOM 864 C LYS A 59 7.745 12.310 4.617 1.00 0.00 C ATOM 865 O LYS A 59 7.940 11.170 5.038 1.00 0.00 O ATOM 866 CB LYS A 59 8.364 13.617 6.732 1.00 0.00 C ATOM 867 CG LYS A 59 9.780 13.225 6.304 1.00 0.00 C ATOM 868 CD LYS A 59 10.328 14.202 5.262 1.00 0.00 C ATOM 869 CE LYS A 59 11.429 15.080 5.860 1.00 0.00 C ATOM 870 NZ LYS A 59 11.157 16.509 5.588 1.00 0.00 N ATOM 0 H LYS A 59 5.932 12.379 6.668 1.00 0.00 H new ATOM 0 HA LYS A 59 7.411 14.369 5.012 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.356 14.654 7.067 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.054 13.006 7.580 1.00 0.00 H new ATOM 0 HG2 LYS A 59 10.436 13.210 7.174 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.773 12.215 5.893 1.00 0.00 H new ATOM 0 HD2 LYS A 59 10.722 13.648 4.410 1.00 0.00 H new ATOM 0 HD3 LYS A 59 9.520 14.830 4.887 1.00 0.00 H new ATOM 0 HE2 LYS A 59 11.491 14.914 6.935 1.00 0.00 H new ATOM 0 HE3 LYS A 59 12.394 14.801 5.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.914 17.091 6.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.121 16.666 4.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.245 16.776 6.011 1.00 0.00 H new ATOM 884 N PHE A 60 7.832 12.664 3.344 1.00 0.00 N ATOM 885 CA PHE A 60 8.177 11.694 2.319 1.00 0.00 C ATOM 886 C PHE A 60 9.540 11.060 2.600 1.00 0.00 C ATOM 887 O PHE A 60 10.503 11.760 2.910 1.00 0.00 O ATOM 888 CB PHE A 60 8.244 12.451 0.991 1.00 0.00 C ATOM 889 CG PHE A 60 8.647 11.581 -0.202 1.00 0.00 C ATOM 890 CD1 PHE A 60 7.740 10.742 -0.769 1.00 0.00 C ATOM 891 CD2 PHE A 60 9.913 11.647 -0.694 1.00 0.00 C ATOM 892 CE1 PHE A 60 8.114 9.935 -1.876 1.00 0.00 C ATOM 893 CE2 PHE A 60 10.287 10.840 -1.801 1.00 0.00 C ATOM 894 CZ PHE A 60 9.380 10.001 -2.368 1.00 0.00 C ATOM 0 H PHE A 60 7.669 13.610 2.998 1.00 0.00 H new ATOM 0 HA PHE A 60 7.434 10.897 2.296 1.00 0.00 H new ATOM 0 HB2 PHE A 60 7.270 12.897 0.790 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.956 13.270 1.087 1.00 0.00 H new ATOM 0 HD1 PHE A 60 6.735 10.689 -0.377 1.00 0.00 H new ATOM 0 HD2 PHE A 60 10.634 12.313 -0.243 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.393 9.269 -2.327 1.00 0.00 H new ATOM 0 HE2 PHE A 60 11.292 10.893 -2.193 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.665 9.387 -3.209 1.00 0.00 H new ATOM 904 N TYR A 61 9.579 9.741 2.483 1.00 0.00 N ATOM 905 CA TYR A 61 10.809 9.004 2.721 1.00 0.00 C ATOM 906 C TYR A 61 11.337 8.385 1.426 1.00 0.00 C ATOM 907 O TYR A 61 12.340 8.842 0.879 1.00 0.00 O ATOM 908 CB TYR A 61 10.446 7.883 3.697 1.00 0.00 C ATOM 909 CG TYR A 61 10.526 8.290 5.170 1.00 0.00 C ATOM 910 CD1 TYR A 61 10.618 9.623 5.513 1.00 0.00 C ATOM 911 CD2 TYR A 61 10.506 7.323 6.155 1.00 0.00 C ATOM 912 CE1 TYR A 61 10.692 10.006 6.900 1.00 0.00 C ATOM 913 CE2 TYR A 61 10.580 7.706 7.541 1.00 0.00 C ATOM 914 CZ TYR A 61 10.670 9.029 7.845 1.00 0.00 C ATOM 915 OH TYR A 61 10.741 9.391 9.154 1.00 0.00 O ATOM 0 H TYR A 61 8.779 9.163 2.226 1.00 0.00 H new ATOM 0 HA TYR A 61 11.583 9.665 3.112 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.435 7.540 3.480 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.113 7.038 3.528 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.635 10.379 4.742 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.435 6.279 5.886 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.763 11.046 7.183 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.564 6.960 8.322 1.00 0.00 H new ATOM 0 HH TYR A 61 10.714 8.589 9.717 1.00 0.00 H new ATOM 925 N SER A 62 10.639 7.355 0.972 1.00 0.00 N ATOM 926 CA SER A 62 11.025 6.669 -0.249 1.00 0.00 C ATOM 927 C SER A 62 9.780 6.309 -1.063 1.00 0.00 C ATOM 928 O SER A 62 8.658 6.435 -0.576 1.00 0.00 O ATOM 929 CB SER A 62 11.839 5.411 0.060 1.00 0.00 C ATOM 930 OG SER A 62 13.237 5.624 -0.115 1.00 0.00 O ATOM 0 H SER A 62 9.808 6.979 1.428 1.00 0.00 H new ATOM 0 HA SER A 62 11.653 7.340 -0.835 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.646 5.097 1.086 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.512 4.599 -0.589 1.00 0.00 H new ATOM 0 HG SER A 62 13.722 4.799 0.093 1.00 0.00 H new ATOM 936 N LYS A 63 10.021 5.868 -2.289 1.00 0.00 N ATOM 937 CA LYS A 63 8.934 5.488 -3.175 1.00 0.00 C ATOM 938 C LYS A 63 8.870 3.963 -3.274 1.00 0.00 C ATOM 939 O LYS A 63 9.899 3.303 -3.413 1.00 0.00 O ATOM 940 CB LYS A 63 9.077 6.187 -4.529 1.00 0.00 C ATOM 941 CG LYS A 63 8.497 7.602 -4.480 1.00 0.00 C ATOM 942 CD LYS A 63 7.222 7.701 -5.320 1.00 0.00 C ATOM 943 CE LYS A 63 7.131 9.057 -6.021 1.00 0.00 C ATOM 944 NZ LYS A 63 8.005 9.084 -7.215 1.00 0.00 N ATOM 0 H LYS A 63 10.953 5.765 -2.690 1.00 0.00 H new ATOM 0 HA LYS A 63 7.979 5.821 -2.769 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.129 6.231 -4.810 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.566 5.607 -5.297 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.278 7.874 -3.447 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.235 8.315 -4.848 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.208 6.903 -6.062 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.350 7.558 -4.682 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.100 9.253 -6.314 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.423 9.849 -5.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.931 10.012 -7.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.991 8.918 -6.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.709 8.341 -7.879 1.00 0.00 H new ATOM 958 N LEU A 64 7.652 3.447 -3.197 1.00 0.00 N ATOM 959 CA LEU A 64 7.441 2.012 -3.276 1.00 0.00 C ATOM 960 C LEU A 64 7.215 1.613 -4.736 1.00 0.00 C ATOM 961 O LEU A 64 6.135 1.146 -5.096 1.00 0.00 O ATOM 962 CB LEU A 64 6.309 1.584 -2.340 1.00 0.00 C ATOM 963 CG LEU A 64 6.483 1.953 -0.865 1.00 0.00 C ATOM 964 CD1 LEU A 64 7.947 2.264 -0.547 1.00 0.00 C ATOM 965 CD2 LEU A 64 5.554 3.104 -0.474 1.00 0.00 C ATOM 0 H LEU A 64 6.801 3.997 -3.081 1.00 0.00 H new ATOM 0 HA LEU A 64 8.327 1.478 -2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.380 2.028 -2.698 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.194 0.503 -2.412 1.00 0.00 H new ATOM 0 HG LEU A 64 6.198 1.091 -0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.043 2.523 0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.560 1.389 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.282 3.102 -1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.698 3.346 0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.783 3.979 -1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.518 2.808 -0.640 1.00 0.00 H new ATOM 977 N ASP A 65 8.251 1.813 -5.538 1.00 0.00 N ATOM 978 CA ASP A 65 8.179 1.480 -6.950 1.00 0.00 C ATOM 979 C ASP A 65 8.782 0.092 -7.175 1.00 0.00 C ATOM 980 O ASP A 65 8.222 -0.721 -7.909 1.00 0.00 O ATOM 981 CB ASP A 65 8.971 2.482 -7.793 1.00 0.00 C ATOM 982 CG ASP A 65 9.542 1.921 -9.097 1.00 0.00 C ATOM 983 OD1 ASP A 65 8.723 1.491 -9.937 1.00 0.00 O ATOM 984 OD2 ASP A 65 10.786 1.934 -9.223 1.00 0.00 O ATOM 0 H ASP A 65 9.145 2.201 -5.236 1.00 0.00 H new ATOM 0 HA ASP A 65 7.131 1.505 -7.249 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.323 3.326 -8.031 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.793 2.871 -7.192 1.00 0.00 H new ATOM 989 N GLN A 66 9.916 -0.136 -6.528 1.00 0.00 N ATOM 990 CA GLN A 66 10.601 -1.412 -6.648 1.00 0.00 C ATOM 991 C GLN A 66 9.610 -2.565 -6.478 1.00 0.00 C ATOM 992 O GLN A 66 9.051 -2.754 -5.399 1.00 0.00 O ATOM 993 CB GLN A 66 11.744 -1.518 -5.636 1.00 0.00 C ATOM 994 CG GLN A 66 12.460 -2.865 -5.755 1.00 0.00 C ATOM 995 CD GLN A 66 13.704 -2.748 -6.638 1.00 0.00 C ATOM 996 OE1 GLN A 66 13.938 -1.748 -7.297 1.00 0.00 O ATOM 997 NE2 GLN A 66 14.486 -3.823 -6.615 1.00 0.00 N ATOM 0 H GLN A 66 10.377 0.541 -5.920 1.00 0.00 H new ATOM 0 HA GLN A 66 11.035 -1.476 -7.646 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.455 -0.709 -5.800 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.352 -1.399 -4.626 1.00 0.00 H new ATOM 0 HG2 GLN A 66 12.745 -3.218 -4.764 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.780 -3.607 -6.175 1.00 0.00 H new ATOM 0 HE21 GLN A 66 14.231 -4.627 -6.041 1.00 0.00 H new ATOM 0 HE22 GLN A 66 15.341 -3.844 -7.171 1.00 0.00 H new ATOM 1006 N GLU A 67 9.423 -3.306 -7.561 1.00 0.00 N ATOM 1007 CA GLU A 67 8.509 -4.436 -7.545 1.00 0.00 C ATOM 1008 C GLU A 67 9.155 -5.632 -6.844 1.00 0.00 C ATOM 1009 O GLU A 67 8.481 -6.384 -6.142 1.00 0.00 O ATOM 1010 CB GLU A 67 8.068 -4.804 -8.963 1.00 0.00 C ATOM 1011 CG GLU A 67 7.769 -3.550 -9.787 1.00 0.00 C ATOM 1012 CD GLU A 67 8.666 -3.481 -11.025 1.00 0.00 C ATOM 1013 OE1 GLU A 67 9.071 -4.566 -11.494 1.00 0.00 O ATOM 1014 OE2 GLU A 67 8.927 -2.344 -11.474 1.00 0.00 O ATOM 0 H GLU A 67 9.888 -3.146 -8.454 1.00 0.00 H new ATOM 0 HA GLU A 67 7.618 -4.150 -6.985 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.849 -5.386 -9.451 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.180 -5.435 -8.919 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.722 -3.551 -10.091 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.921 -2.662 -9.173 1.00 0.00 H new ATOM 1021 N ASP A 68 10.455 -5.772 -7.059 1.00 0.00 N ATOM 1022 CA ASP A 68 11.200 -6.864 -6.457 1.00 0.00 C ATOM 1023 C ASP A 68 11.342 -6.612 -4.954 1.00 0.00 C ATOM 1024 O ASP A 68 11.806 -7.480 -4.216 1.00 0.00 O ATOM 1025 CB ASP A 68 12.605 -6.968 -7.054 1.00 0.00 C ATOM 1026 CG ASP A 68 12.924 -8.303 -7.729 1.00 0.00 C ATOM 1027 OD1 ASP A 68 12.177 -9.268 -7.460 1.00 0.00 O ATOM 1028 OD2 ASP A 68 13.907 -8.328 -8.501 1.00 0.00 O ATOM 0 H ASP A 68 11.011 -5.147 -7.642 1.00 0.00 H new ATOM 0 HA ASP A 68 10.657 -7.789 -6.650 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.733 -6.169 -7.784 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.334 -6.795 -6.262 1.00 0.00 H new ATOM 1033 N ALA A 69 10.935 -5.419 -4.546 1.00 0.00 N ATOM 1034 CA ALA A 69 11.011 -5.041 -3.145 1.00 0.00 C ATOM 1035 C ALA A 69 9.825 -5.648 -2.393 1.00 0.00 C ATOM 1036 O ALA A 69 8.919 -6.211 -3.005 1.00 0.00 O ATOM 1037 CB ALA A 69 11.056 -3.516 -3.029 1.00 0.00 C ATOM 0 H ALA A 69 10.552 -4.701 -5.161 1.00 0.00 H new ATOM 0 HA ALA A 69 11.923 -5.429 -2.692 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.113 -3.233 -1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.932 -3.137 -3.555 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.155 -3.091 -3.471 1.00 0.00 H new ATOM 1043 N LEU A 70 9.870 -5.513 -1.076 1.00 0.00 N ATOM 1044 CA LEU A 70 8.810 -6.041 -0.233 1.00 0.00 C ATOM 1045 C LEU A 70 8.532 -5.058 0.906 1.00 0.00 C ATOM 1046 O LEU A 70 9.435 -4.355 1.358 1.00 0.00 O ATOM 1047 CB LEU A 70 9.159 -7.453 0.244 1.00 0.00 C ATOM 1048 CG LEU A 70 9.728 -8.398 -0.816 1.00 0.00 C ATOM 1049 CD1 LEU A 70 10.660 -9.433 -0.184 1.00 0.00 C ATOM 1050 CD2 LEU A 70 8.607 -9.053 -1.625 1.00 0.00 C ATOM 0 H LEU A 70 10.623 -5.046 -0.572 1.00 0.00 H new ATOM 0 HA LEU A 70 7.885 -6.140 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.882 -7.372 1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.260 -7.907 0.661 1.00 0.00 H new ATOM 0 HG LEU A 70 10.326 -7.810 -1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.051 -10.092 -0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.487 -8.924 0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.107 -10.022 0.548 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.039 -9.720 -2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.963 -9.625 -0.957 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.020 -8.282 -2.124 1.00 0.00 H new ATOM 1062 N LEU A 71 7.279 -5.040 1.337 1.00 0.00 N ATOM 1063 CA LEU A 71 6.871 -4.155 2.414 1.00 0.00 C ATOM 1064 C LEU A 71 7.686 -4.476 3.669 1.00 0.00 C ATOM 1065 O LEU A 71 7.553 -5.557 4.240 1.00 0.00 O ATOM 1066 CB LEU A 71 5.358 -4.233 2.627 1.00 0.00 C ATOM 1067 CG LEU A 71 4.575 -2.947 2.351 1.00 0.00 C ATOM 1068 CD1 LEU A 71 3.102 -3.110 2.733 1.00 0.00 C ATOM 1069 CD2 LEU A 71 5.221 -1.751 3.052 1.00 0.00 C ATOM 0 H LEU A 71 6.533 -5.624 0.959 1.00 0.00 H new ATOM 0 HA LEU A 71 7.080 -3.117 2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.961 -5.021 1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.171 -4.535 3.658 1.00 0.00 H new ATOM 0 HG LEU A 71 4.609 -2.748 1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.568 -2.182 2.527 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.662 -3.919 2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.025 -3.345 3.795 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.645 -0.850 2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.238 -1.925 4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.241 -1.624 2.689 1.00 0.00 H new ATOM 1081 N GLY A 72 8.512 -3.517 4.060 1.00 0.00 N ATOM 1082 CA GLY A 72 9.348 -3.684 5.237 1.00 0.00 C ATOM 1083 C GLY A 72 10.769 -3.179 4.976 1.00 0.00 C ATOM 1084 O GLY A 72 11.268 -2.317 5.698 1.00 0.00 O ATOM 0 H GLY A 72 8.620 -2.622 3.583 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.914 -3.141 6.076 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.378 -4.736 5.520 1.00 0.00 H new ATOM 1088 N SER A 73 11.380 -3.737 3.941 1.00 0.00 N ATOM 1089 CA SER A 73 12.733 -3.354 3.576 1.00 0.00 C ATOM 1090 C SER A 73 12.874 -1.831 3.613 1.00 0.00 C ATOM 1091 O SER A 73 13.971 -1.310 3.812 1.00 0.00 O ATOM 1092 CB SER A 73 13.101 -3.887 2.190 1.00 0.00 C ATOM 1093 OG SER A 73 13.191 -2.844 1.223 1.00 0.00 O ATOM 0 H SER A 73 10.963 -4.451 3.344 1.00 0.00 H new ATOM 0 HA SER A 73 13.420 -3.794 4.299 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.054 -4.413 2.245 1.00 0.00 H new ATOM 0 HB3 SER A 73 12.354 -4.614 1.871 1.00 0.00 H new ATOM 0 HG SER A 73 13.429 -3.225 0.352 1.00 0.00 H new ATOM 1099 N TYR A 74 11.749 -1.159 3.419 1.00 0.00 N ATOM 1100 CA TYR A 74 11.733 0.294 3.428 1.00 0.00 C ATOM 1101 C TYR A 74 11.517 0.831 4.844 1.00 0.00 C ATOM 1102 O TYR A 74 11.177 0.076 5.753 1.00 0.00 O ATOM 1103 CB TYR A 74 10.548 0.708 2.552 1.00 0.00 C ATOM 1104 CG TYR A 74 10.825 0.623 1.050 1.00 0.00 C ATOM 1105 CD1 TYR A 74 11.737 1.479 0.467 1.00 0.00 C ATOM 1106 CD2 TYR A 74 10.163 -0.310 0.278 1.00 0.00 C ATOM 1107 CE1 TYR A 74 11.997 1.399 -0.947 1.00 0.00 C ATOM 1108 CE2 TYR A 74 10.423 -0.390 -1.136 1.00 0.00 C ATOM 1109 CZ TYR A 74 11.328 0.468 -1.679 1.00 0.00 C ATOM 1110 OH TYR A 74 11.574 0.393 -3.014 1.00 0.00 O ATOM 0 H TYR A 74 10.841 -1.594 3.255 1.00 0.00 H new ATOM 0 HA TYR A 74 12.681 0.691 3.064 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.694 0.074 2.790 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.265 1.731 2.802 1.00 0.00 H new ATOM 0 HD1 TYR A 74 12.256 2.209 1.071 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.450 -0.980 0.735 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.708 2.064 -1.416 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.911 -1.115 -1.751 1.00 0.00 H new ATOM 0 HH TYR A 74 12.497 0.670 -3.193 1.00 0.00 H new ATOM 1120 N PRO A 75 11.730 2.166 4.991 1.00 0.00 N ATOM 1121 CA PRO A 75 11.563 2.813 6.281 1.00 0.00 C ATOM 1122 C PRO A 75 10.081 2.977 6.624 1.00 0.00 C ATOM 1123 O PRO A 75 9.622 4.085 6.894 1.00 0.00 O ATOM 1124 CB PRO A 75 12.293 4.140 6.153 1.00 0.00 C ATOM 1125 CG PRO A 75 12.443 4.392 4.661 1.00 0.00 C ATOM 1126 CD PRO A 75 12.135 3.092 3.936 1.00 0.00 C ATOM 0 HA PRO A 75 11.973 2.226 7.102 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.730 4.943 6.630 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.266 4.099 6.642 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.764 5.180 4.337 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.454 4.728 4.430 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.341 3.227 3.201 1.00 0.00 H new ATOM 0 HD3 PRO A 75 13.008 2.722 3.398 1.00 0.00 H new ATOM 1134 N VAL A 76 9.375 1.856 6.603 1.00 0.00 N ATOM 1135 CA VAL A 76 7.954 1.862 6.909 1.00 0.00 C ATOM 1136 C VAL A 76 7.740 1.330 8.327 1.00 0.00 C ATOM 1137 O VAL A 76 8.692 0.919 8.990 1.00 0.00 O ATOM 1138 CB VAL A 76 7.188 1.065 5.850 1.00 0.00 C ATOM 1139 CG1 VAL A 76 7.386 -0.439 6.046 1.00 0.00 C ATOM 1140 CG2 VAL A 76 5.702 1.429 5.860 1.00 0.00 C ATOM 0 H VAL A 76 9.760 0.938 6.379 1.00 0.00 H new ATOM 0 HA VAL A 76 7.561 2.878 6.880 1.00 0.00 H new ATOM 0 HB VAL A 76 7.592 1.331 4.873 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.831 -0.982 5.281 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.446 -0.680 5.965 1.00 0.00 H new ATOM 0 HG13 VAL A 76 7.022 -0.728 7.032 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.180 0.849 5.099 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.279 1.205 6.839 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.586 2.492 5.649 1.00 0.00 H new ATOM 1150 N ASP A 77 6.485 1.356 8.752 1.00 0.00 N ATOM 1151 CA ASP A 77 6.135 0.882 10.080 1.00 0.00 C ATOM 1152 C ASP A 77 4.622 1.000 10.276 1.00 0.00 C ATOM 1153 O ASP A 77 4.000 1.940 9.782 1.00 0.00 O ATOM 1154 CB ASP A 77 6.819 1.719 11.162 1.00 0.00 C ATOM 1155 CG ASP A 77 6.582 3.227 11.059 1.00 0.00 C ATOM 1156 OD1 ASP A 77 5.398 3.622 11.137 1.00 0.00 O ATOM 1157 OD2 ASP A 77 7.589 3.951 10.905 1.00 0.00 O ATOM 0 H ASP A 77 5.698 1.698 8.200 1.00 0.00 H new ATOM 0 HA ASP A 77 6.463 -0.154 10.166 1.00 0.00 H new ATOM 0 HB2 ASP A 77 6.472 1.378 12.137 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.892 1.531 11.121 1.00 0.00 H new ATOM 1162 N ASP A 78 4.074 0.034 10.998 1.00 0.00 N ATOM 1163 CA ASP A 78 2.646 0.019 11.265 1.00 0.00 C ATOM 1164 C ASP A 78 2.219 1.381 11.814 1.00 0.00 C ATOM 1165 O ASP A 78 2.357 1.645 13.008 1.00 0.00 O ATOM 1166 CB ASP A 78 2.292 -1.043 12.309 1.00 0.00 C ATOM 1167 CG ASP A 78 3.191 -1.057 13.547 1.00 0.00 C ATOM 1168 OD1 ASP A 78 4.051 -0.154 13.634 1.00 0.00 O ATOM 1169 OD2 ASP A 78 2.997 -1.969 14.379 1.00 0.00 O ATOM 0 H ASP A 78 4.593 -0.744 11.406 1.00 0.00 H new ATOM 0 HA ASP A 78 2.131 -0.207 10.331 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.262 -0.888 12.628 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.335 -2.024 11.836 1.00 0.00 H new ATOM 1174 N GLY A 79 1.709 2.212 10.916 1.00 0.00 N ATOM 1175 CA GLY A 79 1.261 3.541 11.296 1.00 0.00 C ATOM 1176 C GLY A 79 1.649 4.574 10.236 1.00 0.00 C ATOM 1177 O GLY A 79 1.149 5.697 10.246 1.00 0.00 O ATOM 0 H GLY A 79 1.596 1.990 9.927 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.179 3.540 11.429 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.700 3.816 12.255 1.00 0.00 H new ATOM 1181 N CYS A 80 2.537 4.156 9.346 1.00 0.00 N ATOM 1182 CA CYS A 80 2.998 5.031 8.281 1.00 0.00 C ATOM 1183 C CYS A 80 1.792 5.424 7.426 1.00 0.00 C ATOM 1184 O CYS A 80 0.649 5.171 7.805 1.00 0.00 O ATOM 1185 CB CYS A 80 4.100 4.374 7.446 1.00 0.00 C ATOM 1186 SG CYS A 80 5.734 5.041 7.931 1.00 0.00 S ATOM 0 H CYS A 80 2.950 3.223 9.340 1.00 0.00 H new ATOM 0 HA CYS A 80 3.445 5.927 8.711 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.082 3.294 7.590 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.923 4.557 6.386 1.00 0.00 H new ATOM 0 HG CYS A 80 5.901 6.213 7.394 1.00 0.00 H new ATOM 1192 N ARG A 81 2.088 6.035 6.288 1.00 0.00 N ATOM 1193 CA ARG A 81 1.041 6.466 5.377 1.00 0.00 C ATOM 1194 C ARG A 81 1.427 6.136 3.933 1.00 0.00 C ATOM 1195 O ARG A 81 2.549 6.407 3.509 1.00 0.00 O ATOM 1196 CB ARG A 81 0.789 7.970 5.499 1.00 0.00 C ATOM 1197 CG ARG A 81 -0.525 8.362 4.819 1.00 0.00 C ATOM 1198 CD ARG A 81 -0.752 9.873 4.896 1.00 0.00 C ATOM 1199 NE ARG A 81 -0.980 10.279 6.301 1.00 0.00 N ATOM 1200 CZ ARG A 81 -0.757 11.514 6.772 1.00 0.00 C ATOM 1201 NH1 ARG A 81 -0.299 12.471 5.953 1.00 0.00 N ATOM 1202 NH2 ARG A 81 -0.992 11.792 8.061 1.00 0.00 N ATOM 0 H ARG A 81 3.037 6.242 5.976 1.00 0.00 H new ATOM 0 HA ARG A 81 0.128 5.934 5.644 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.757 8.253 6.551 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.615 8.519 5.046 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -0.507 8.046 3.776 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.355 7.841 5.296 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.112 10.400 4.492 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.610 10.152 4.284 1.00 0.00 H new ATOM 0 HE ARG A 81 -1.329 9.575 6.952 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.120 12.260 4.971 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.129 13.411 6.311 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.341 11.064 8.684 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.822 12.732 8.419 1.00 0.00 H new ATOM 1216 N ILE A 82 0.474 5.556 3.218 1.00 0.00 N ATOM 1217 CA ILE A 82 0.700 5.187 1.831 1.00 0.00 C ATOM 1218 C ILE A 82 -0.192 6.041 0.928 1.00 0.00 C ATOM 1219 O ILE A 82 -1.389 5.783 0.808 1.00 0.00 O ATOM 1220 CB ILE A 82 0.506 3.681 1.639 1.00 0.00 C ATOM 1221 CG1 ILE A 82 1.478 2.887 2.515 1.00 0.00 C ATOM 1222 CG2 ILE A 82 0.621 3.297 0.162 1.00 0.00 C ATOM 1223 CD1 ILE A 82 2.882 2.878 1.906 1.00 0.00 C ATOM 0 H ILE A 82 -0.456 5.333 3.573 1.00 0.00 H new ATOM 0 HA ILE A 82 1.732 5.392 1.546 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.503 3.423 1.961 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.513 3.323 3.513 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.120 1.864 2.627 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.479 2.222 0.054 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.142 3.823 -0.411 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.608 3.572 -0.210 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.553 2.307 2.548 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.847 2.419 0.918 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.247 3.901 1.818 1.00 0.00 H new ATOM 1235 N HIS A 83 0.424 7.042 0.317 1.00 0.00 N ATOM 1236 CA HIS A 83 -0.299 7.936 -0.572 1.00 0.00 C ATOM 1237 C HIS A 83 -0.249 7.391 -2.000 1.00 0.00 C ATOM 1238 O HIS A 83 0.809 7.382 -2.628 1.00 0.00 O ATOM 1239 CB HIS A 83 0.240 9.364 -0.462 1.00 0.00 C ATOM 1240 CG HIS A 83 -0.677 10.412 -1.045 1.00 0.00 C ATOM 1241 ND1 HIS A 83 -1.815 10.859 -0.396 1.00 0.00 N ATOM 1242 CD2 HIS A 83 -0.611 11.098 -2.223 1.00 0.00 C ATOM 1243 CE1 HIS A 83 -2.400 11.771 -1.158 1.00 0.00 C ATOM 1244 NE2 HIS A 83 -1.653 11.917 -2.290 1.00 0.00 N ATOM 0 H HIS A 83 1.416 7.254 0.420 1.00 0.00 H new ATOM 0 HA HIS A 83 -1.347 7.982 -0.275 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.417 9.595 0.588 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.204 9.418 -0.967 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.159 10.992 -2.973 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.309 12.305 -0.924 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.861 12.551 -3.061 1.00 0.00 H new ATOM 1252 N VAL A 84 -1.406 6.950 -2.473 1.00 0.00 N ATOM 1253 CA VAL A 84 -1.507 6.405 -3.816 1.00 0.00 C ATOM 1254 C VAL A 84 -1.794 7.540 -4.801 1.00 0.00 C ATOM 1255 O VAL A 84 -2.806 8.230 -4.682 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.563 5.299 -3.853 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -2.690 4.710 -5.260 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.250 4.207 -2.828 1.00 0.00 C ATOM 0 H VAL A 84 -2.281 6.959 -1.950 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.565 5.946 -4.115 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.522 5.743 -3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.447 3.926 -5.259 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.981 5.495 -5.958 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.732 4.289 -5.566 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.016 3.433 -2.875 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.277 3.768 -3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.233 4.641 -1.828 1.00 0.00 H new ATOM 1268 N ILE A 85 -0.886 7.698 -5.753 1.00 0.00 N ATOM 1269 CA ILE A 85 -1.029 8.737 -6.759 1.00 0.00 C ATOM 1270 C ILE A 85 -1.764 8.167 -7.974 1.00 0.00 C ATOM 1271 O ILE A 85 -1.174 7.448 -8.779 1.00 0.00 O ATOM 1272 CB ILE A 85 0.332 9.349 -7.094 1.00 0.00 C ATOM 1273 CG1 ILE A 85 0.995 9.931 -5.844 1.00 0.00 C ATOM 1274 CG2 ILE A 85 0.206 10.387 -8.212 1.00 0.00 C ATOM 1275 CD1 ILE A 85 2.467 10.255 -6.105 1.00 0.00 C ATOM 0 H ILE A 85 -0.048 7.124 -5.849 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.636 9.558 -6.376 1.00 0.00 H new ATOM 0 HB ILE A 85 0.982 8.555 -7.463 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.469 10.835 -5.536 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.916 9.220 -5.021 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.188 10.807 -8.431 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.193 9.911 -9.108 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.467 11.184 -7.895 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.915 10.667 -5.201 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.995 9.345 -6.389 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.542 10.984 -6.912 1.00 0.00 H new ATOM 1287 N ASP A 86 -3.040 8.509 -8.069 1.00 0.00 N ATOM 1288 CA ASP A 86 -3.861 8.040 -9.172 1.00 0.00 C ATOM 1289 C ASP A 86 -3.246 8.506 -10.493 1.00 0.00 C ATOM 1290 O ASP A 86 -3.319 9.685 -10.835 1.00 0.00 O ATOM 1291 CB ASP A 86 -5.279 8.609 -9.084 1.00 0.00 C ATOM 1292 CG ASP A 86 -6.049 8.633 -10.406 1.00 0.00 C ATOM 1293 OD1 ASP A 86 -6.198 7.541 -10.996 1.00 0.00 O ATOM 1294 OD2 ASP A 86 -6.471 9.743 -10.796 1.00 0.00 O ATOM 0 H ASP A 86 -3.526 9.106 -7.400 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.905 6.952 -9.121 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.846 8.022 -8.361 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.223 9.626 -8.695 1.00 0.00 H new ATOM 1299 N HIS A 87 -2.653 7.555 -11.201 1.00 0.00 N ATOM 1300 CA HIS A 87 -2.026 7.853 -12.477 1.00 0.00 C ATOM 1301 C HIS A 87 -2.974 7.473 -13.616 1.00 0.00 C ATOM 1302 O HIS A 87 -2.596 7.523 -14.786 1.00 0.00 O ATOM 1303 CB HIS A 87 -0.663 7.167 -12.586 1.00 0.00 C ATOM 1304 CG HIS A 87 0.501 8.048 -12.198 1.00 0.00 C ATOM 1305 ND1 HIS A 87 0.720 9.292 -12.764 1.00 0.00 N ATOM 1306 CD2 HIS A 87 1.506 7.852 -11.297 1.00 0.00 C ATOM 1307 CE1 HIS A 87 1.811 9.812 -12.220 1.00 0.00 C ATOM 1308 NE2 HIS A 87 2.296 8.918 -11.312 1.00 0.00 N ATOM 0 H HIS A 87 -2.594 6.578 -10.915 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.836 8.924 -12.551 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.662 6.281 -11.951 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -0.521 6.825 -13.611 1.00 0.00 H new ATOM 0 HD2 HIS A 87 1.637 6.978 -10.677 1.00 0.00 H new ATOM 0 HE1 HIS A 87 2.240 10.775 -12.455 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.129 9.047 -10.738 1.00 0.00 H new ATOM 1316 N SER A 88 -4.187 7.100 -13.234 1.00 0.00 N ATOM 1317 CA SER A 88 -5.191 6.711 -14.209 1.00 0.00 C ATOM 1318 C SER A 88 -6.330 7.734 -14.224 1.00 0.00 C ATOM 1319 O SER A 88 -7.402 7.482 -13.677 1.00 0.00 O ATOM 1320 CB SER A 88 -5.737 5.314 -13.910 1.00 0.00 C ATOM 1321 OG SER A 88 -6.527 5.292 -12.724 1.00 0.00 O ATOM 0 H SER A 88 -4.497 7.059 -12.263 1.00 0.00 H new ATOM 0 HA SER A 88 -4.721 6.685 -15.192 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.338 4.972 -14.752 1.00 0.00 H new ATOM 0 HB3 SER A 88 -4.907 4.615 -13.806 1.00 0.00 H new ATOM 0 HG SER A 88 -7.274 5.919 -12.817 1.00 0.00 H new ATOM 1327 N GLY A 89 -6.057 8.866 -14.856 1.00 0.00 N ATOM 1328 CA GLY A 89 -7.045 9.927 -14.949 1.00 0.00 C ATOM 1329 C GLY A 89 -7.136 10.468 -16.377 1.00 0.00 C ATOM 1330 O GLY A 89 -6.530 11.489 -16.698 1.00 0.00 O ATOM 0 H GLY A 89 -5.166 9.071 -15.308 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.019 9.550 -14.636 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.782 10.735 -14.266 1.00 0.00 H new ATOM 1334 N SER A 90 -7.898 9.759 -17.197 1.00 0.00 N ATOM 1335 CA SER A 90 -8.076 10.155 -18.583 1.00 0.00 C ATOM 1336 C SER A 90 -9.004 9.168 -19.294 1.00 0.00 C ATOM 1337 O SER A 90 -9.005 7.977 -18.984 1.00 0.00 O ATOM 1338 CB SER A 90 -6.732 10.237 -19.310 1.00 0.00 C ATOM 1339 OG SER A 90 -6.582 11.465 -20.017 1.00 0.00 O ATOM 0 H SER A 90 -8.399 8.912 -16.928 1.00 0.00 H new ATOM 0 HA SER A 90 -8.528 11.147 -18.600 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.922 10.133 -18.588 1.00 0.00 H new ATOM 0 HB3 SER A 90 -6.646 9.404 -20.008 1.00 0.00 H new ATOM 0 HG SER A 90 -5.711 11.480 -20.466 1.00 0.00 H new ATOM 1345 N GLY A 91 -9.772 9.699 -20.235 1.00 0.00 N ATOM 1346 CA GLY A 91 -10.702 8.879 -20.993 1.00 0.00 C ATOM 1347 C GLY A 91 -10.014 7.622 -21.529 1.00 0.00 C ATOM 1348 O GLY A 91 -8.788 7.528 -21.517 1.00 0.00 O ATOM 0 H GLY A 91 -9.769 10.687 -20.489 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -11.542 8.596 -20.359 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.109 9.457 -21.823 1.00 0.00 H new ATOM 1352 N PRO A 92 -10.855 6.663 -22.000 1.00 0.00 N ATOM 1353 CA PRO A 92 -10.341 5.416 -22.541 1.00 0.00 C ATOM 1354 C PRO A 92 -9.746 5.627 -23.934 1.00 0.00 C ATOM 1355 O PRO A 92 -10.335 6.313 -24.768 1.00 0.00 O ATOM 1356 CB PRO A 92 -11.529 4.468 -22.540 1.00 0.00 C ATOM 1357 CG PRO A 92 -12.765 5.347 -22.438 1.00 0.00 C ATOM 1358 CD PRO A 92 -12.313 6.740 -22.031 1.00 0.00 C ATOM 0 HA PRO A 92 -9.521 5.007 -21.950 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -11.551 3.868 -23.450 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -11.474 3.774 -21.702 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -13.290 5.380 -23.393 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -13.462 4.942 -21.704 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -12.655 7.491 -22.743 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -12.716 7.018 -21.057 1.00 0.00 H new ATOM 1366 N SER A 93 -8.585 5.024 -24.144 1.00 0.00 N ATOM 1367 CA SER A 93 -7.903 5.137 -25.422 1.00 0.00 C ATOM 1368 C SER A 93 -7.379 3.767 -25.858 1.00 0.00 C ATOM 1369 O SER A 93 -7.403 2.813 -25.082 1.00 0.00 O ATOM 1370 CB SER A 93 -6.754 6.145 -25.346 1.00 0.00 C ATOM 1371 OG SER A 93 -6.266 6.496 -26.638 1.00 0.00 O ATOM 0 H SER A 93 -8.099 4.455 -23.450 1.00 0.00 H new ATOM 0 HA SER A 93 -8.619 5.498 -26.161 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.093 7.043 -24.830 1.00 0.00 H new ATOM 0 HB3 SER A 93 -5.941 5.725 -24.753 1.00 0.00 H new ATOM 0 HG SER A 93 -5.535 7.142 -26.547 1.00 0.00 H new ATOM 1377 N SER A 94 -6.918 3.713 -27.099 1.00 0.00 N ATOM 1378 CA SER A 94 -6.389 2.476 -27.648 1.00 0.00 C ATOM 1379 C SER A 94 -5.196 2.775 -28.558 1.00 0.00 C ATOM 1380 O SER A 94 -4.048 2.725 -28.119 1.00 0.00 O ATOM 1381 CB SER A 94 -7.467 1.711 -28.420 1.00 0.00 C ATOM 1382 OG SER A 94 -8.086 2.520 -29.416 1.00 0.00 O ATOM 0 H SER A 94 -6.900 4.506 -27.740 1.00 0.00 H new ATOM 0 HA SER A 94 -6.058 1.848 -26.821 1.00 0.00 H new ATOM 0 HB2 SER A 94 -7.023 0.834 -28.890 1.00 0.00 H new ATOM 0 HB3 SER A 94 -8.224 1.350 -27.724 1.00 0.00 H new ATOM 0 HG SER A 94 -8.766 1.995 -29.887 1.00 0.00 H new ATOM 1388 N GLY A 95 -5.508 3.079 -29.809 1.00 0.00 N ATOM 1389 CA GLY A 95 -4.476 3.386 -30.785 1.00 0.00 C ATOM 1390 C GLY A 95 -4.791 2.743 -32.137 1.00 0.00 C ATOM 1391 O GLY A 95 -3.883 2.419 -32.900 1.00 0.00 O ATOM 0 H GLY A 95 -6.461 3.119 -30.170 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.392 4.466 -30.903 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -3.511 3.029 -30.424 1.00 0.00 H new TER 1395 GLY A 95