USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 657 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 Single : A 1 SER N :NH3+ 165:sc= -0.0078 (180deg=-0.289) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot -53:sc= 0.00959 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -57:sc= -0.0586 USER MOD Single : A 17 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00897) USER MOD Single : A 21 ASN : amide:sc= -4.34! K(o=-4.3!,f=-3.7) USER MOD Single : A 22 ASN : amide:sc=-0.00629 K(o=-0.0063,f=-1.2) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.00263 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -124:sc= -1.93 (180deg=-4.41!) USER MOD Single : A 35 MET CE :methyl 143:sc= -0.271 (180deg=-0.383) USER MOD Single : A 37 SER OG : rot -45:sc= 0.236 USER MOD Single : A 38 LYS NZ :NH3+ -161:sc= -0.0271 (180deg=-0.406) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -23:sc= 0.71 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.183 X(o=-0.18,f=0) USER MOD Single : A 53 THR OG1 : rot 90:sc= 0.625 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.057 USER MOD Single : A 57 SER OG : rot 180:sc= -0.114 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -1.18 USER MOD Single : A 73 SER OG : rot 85:sc= 0.369 USER MOD Single : A 74 MET CE :methyl -161:sc= -0.291 (180deg=-1.42!) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot -33:sc= -0.616 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.979 17.194 -0.899 1.00 0.00 N ATOM 2 CA SER A 1 4.955 16.885 0.137 1.00 0.00 C ATOM 3 C SER A 1 3.904 15.940 -0.449 1.00 0.00 C ATOM 4 O SER A 1 2.729 16.019 -0.150 1.00 0.00 O ATOM 5 CB SER A 1 4.278 18.180 0.586 1.00 0.00 C ATOM 6 OG SER A 1 3.606 18.767 -0.521 1.00 0.00 O ATOM 0 H1 SER A 1 6.540 18.016 -0.598 1.00 0.00 H new ATOM 0 H2 SER A 1 6.606 16.374 -1.023 1.00 0.00 H new ATOM 0 H3 SER A 1 5.507 17.408 -1.801 1.00 0.00 H new ATOM 0 HA SER A 1 5.436 16.409 0.992 1.00 0.00 H new ATOM 0 HB2 SER A 1 3.570 17.974 1.389 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.020 18.872 0.985 1.00 0.00 H new ATOM 0 HG SER A 1 3.169 19.597 -0.236 1.00 0.00 H new ATOM 14 N ASP A 2 4.340 15.064 -1.316 1.00 0.00 N ATOM 15 CA ASP A 2 3.415 14.109 -1.987 1.00 0.00 C ATOM 16 C ASP A 2 2.755 13.171 -0.966 1.00 0.00 C ATOM 17 O ASP A 2 3.371 12.274 -0.425 1.00 0.00 O ATOM 18 CB ASP A 2 4.224 13.296 -3.007 1.00 0.00 C ATOM 19 CG ASP A 2 5.219 12.393 -2.275 1.00 0.00 C ATOM 20 OD1 ASP A 2 5.575 12.720 -1.155 1.00 0.00 O ATOM 21 OD2 ASP A 2 5.611 11.391 -2.849 1.00 0.00 O ATOM 0 H ASP A 2 5.318 14.970 -1.591 1.00 0.00 H new ATOM 0 HA ASP A 2 2.619 14.662 -2.486 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.554 12.693 -3.620 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.756 13.967 -3.682 1.00 0.00 H new ATOM 26 N VAL A 3 1.496 13.407 -0.688 1.00 0.00 N ATOM 27 CA VAL A 3 0.751 12.583 0.311 1.00 0.00 C ATOM 28 C VAL A 3 0.395 11.198 -0.259 1.00 0.00 C ATOM 29 O VAL A 3 0.023 10.306 0.482 1.00 0.00 O ATOM 30 CB VAL A 3 -0.554 13.336 0.706 1.00 0.00 C ATOM 31 CG1 VAL A 3 -0.312 14.844 0.642 1.00 0.00 C ATOM 32 CG2 VAL A 3 -1.727 12.987 -0.227 1.00 0.00 C ATOM 0 H VAL A 3 0.945 14.149 -1.120 1.00 0.00 H new ATOM 0 HA VAL A 3 1.385 12.433 1.184 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.816 13.026 1.718 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.225 15.371 0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.486 15.114 1.333 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.024 15.124 -0.371 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.616 13.535 0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.472 13.263 -1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.925 11.916 -0.178 1.00 0.00 H new ATOM 42 N TYR A 4 0.445 10.998 -1.556 1.00 0.00 N ATOM 43 CA TYR A 4 0.025 9.665 -2.093 1.00 0.00 C ATOM 44 C TYR A 4 1.075 8.590 -1.761 1.00 0.00 C ATOM 45 O TYR A 4 0.756 7.535 -1.250 1.00 0.00 O ATOM 46 CB TYR A 4 -0.229 9.779 -3.600 1.00 0.00 C ATOM 47 CG TYR A 4 -1.649 10.224 -3.870 1.00 0.00 C ATOM 48 CD1 TYR A 4 -2.700 9.310 -3.744 1.00 0.00 C ATOM 49 CD2 TYR A 4 -1.911 11.542 -4.267 1.00 0.00 C ATOM 50 CE1 TYR A 4 -4.012 9.709 -4.014 1.00 0.00 C ATOM 51 CE2 TYR A 4 -3.225 11.944 -4.533 1.00 0.00 C ATOM 52 CZ TYR A 4 -4.276 11.027 -4.408 1.00 0.00 C ATOM 53 OH TYR A 4 -5.571 11.422 -4.673 1.00 0.00 O ATOM 0 H TYR A 4 0.750 11.681 -2.250 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.905 9.355 -1.616 1.00 0.00 H new ATOM 0 HB2 TYR A 4 0.470 10.491 -4.039 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.047 8.817 -4.078 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.498 8.294 -3.438 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.099 12.247 -4.368 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.822 9.001 -3.919 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -3.428 12.961 -4.835 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.974 10.808 -5.321 1.00 0.00 H new ATOM 63 N CYS A 5 2.325 8.854 -2.047 1.00 0.00 N ATOM 64 CA CYS A 5 3.390 7.849 -1.744 1.00 0.00 C ATOM 65 C CYS A 5 3.319 7.499 -0.251 1.00 0.00 C ATOM 66 O CYS A 5 3.395 6.343 0.116 1.00 0.00 O ATOM 67 CB CYS A 5 4.770 8.438 -2.058 1.00 0.00 C ATOM 68 SG CYS A 5 5.073 8.333 -3.826 1.00 0.00 S ATOM 0 H CYS A 5 2.654 9.719 -2.476 1.00 0.00 H new ATOM 0 HA CYS A 5 3.237 6.957 -2.352 1.00 0.00 H new ATOM 0 HB2 CYS A 5 4.818 9.476 -1.730 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.542 7.896 -1.512 1.00 0.00 H new ATOM 73 N GLU A 6 3.191 8.462 0.617 1.00 0.00 N ATOM 74 CA GLU A 6 3.140 8.130 2.070 1.00 0.00 C ATOM 75 C GLU A 6 2.070 7.068 2.307 1.00 0.00 C ATOM 76 O GLU A 6 2.240 6.162 3.099 1.00 0.00 O ATOM 77 CB GLU A 6 2.802 9.384 2.878 1.00 0.00 C ATOM 78 CG GLU A 6 3.745 10.513 2.470 1.00 0.00 C ATOM 79 CD GLU A 6 3.358 11.798 3.205 1.00 0.00 C ATOM 80 OE1 GLU A 6 2.976 11.703 4.360 1.00 0.00 O ATOM 81 OE2 GLU A 6 3.450 12.854 2.601 1.00 0.00 O ATOM 0 H GLU A 6 3.120 9.454 0.389 1.00 0.00 H new ATOM 0 HA GLU A 6 4.111 7.751 2.388 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.767 9.677 2.702 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.898 9.181 3.945 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.774 10.243 2.706 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.696 10.670 1.392 1.00 0.00 H new ATOM 88 N VAL A 7 0.965 7.177 1.629 1.00 0.00 N ATOM 89 CA VAL A 7 -0.127 6.180 1.815 1.00 0.00 C ATOM 90 C VAL A 7 0.259 4.811 1.224 1.00 0.00 C ATOM 91 O VAL A 7 0.040 3.794 1.850 1.00 0.00 O ATOM 92 CB VAL A 7 -1.403 6.705 1.149 1.00 0.00 C ATOM 93 CG1 VAL A 7 -2.465 5.600 1.123 1.00 0.00 C ATOM 94 CG2 VAL A 7 -1.939 7.931 1.913 1.00 0.00 C ATOM 0 H VAL A 7 0.768 7.914 0.952 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.297 6.041 2.883 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.170 7.005 0.127 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.371 5.977 0.649 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.088 4.747 0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.692 5.289 2.143 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.846 8.294 1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.165 7.649 2.941 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.186 8.719 1.910 1.00 0.00 H new ATOM 104 N CYS A 8 0.812 4.749 0.039 1.00 0.00 N ATOM 105 CA CYS A 8 1.171 3.413 -0.531 1.00 0.00 C ATOM 106 C CYS A 8 2.139 2.700 0.404 1.00 0.00 C ATOM 107 O CYS A 8 2.005 1.519 0.653 1.00 0.00 O ATOM 108 CB CYS A 8 1.808 3.606 -1.907 1.00 0.00 C ATOM 109 SG CYS A 8 2.407 2.020 -2.550 1.00 0.00 S ATOM 0 H CYS A 8 1.028 5.552 -0.552 1.00 0.00 H new ATOM 0 HA CYS A 8 0.273 2.804 -0.636 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.080 4.034 -2.596 1.00 0.00 H new ATOM 0 HB3 CYS A 8 2.634 4.313 -1.837 1.00 0.00 H new ATOM 114 N GLU A 9 3.116 3.386 0.930 1.00 0.00 N ATOM 115 CA GLU A 9 4.063 2.701 1.839 1.00 0.00 C ATOM 116 C GLU A 9 3.341 2.380 3.150 1.00 0.00 C ATOM 117 O GLU A 9 3.659 1.411 3.810 1.00 0.00 O ATOM 118 CB GLU A 9 5.271 3.619 2.116 1.00 0.00 C ATOM 119 CG GLU A 9 6.364 3.395 1.062 1.00 0.00 C ATOM 120 CD GLU A 9 7.088 2.079 1.348 1.00 0.00 C ATOM 121 OE1 GLU A 9 6.636 1.353 2.218 1.00 0.00 O ATOM 122 OE2 GLU A 9 8.083 1.818 0.693 1.00 0.00 O ATOM 0 H GLU A 9 3.294 4.377 0.770 1.00 0.00 H new ATOM 0 HA GLU A 9 4.420 1.779 1.380 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.954 4.662 2.105 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.669 3.418 3.111 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.923 3.370 0.065 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.073 4.223 1.077 1.00 0.00 H new ATOM 129 N PHE A 10 2.369 3.168 3.548 1.00 0.00 N ATOM 130 CA PHE A 10 1.667 2.852 4.818 1.00 0.00 C ATOM 131 C PHE A 10 0.826 1.585 4.630 1.00 0.00 C ATOM 132 O PHE A 10 0.870 0.677 5.436 1.00 0.00 O ATOM 133 CB PHE A 10 0.759 4.013 5.227 1.00 0.00 C ATOM 134 CG PHE A 10 0.071 3.654 6.519 1.00 0.00 C ATOM 135 CD1 PHE A 10 -1.148 2.970 6.494 1.00 0.00 C ATOM 136 CD2 PHE A 10 0.665 3.985 7.742 1.00 0.00 C ATOM 137 CE1 PHE A 10 -1.776 2.614 7.695 1.00 0.00 C ATOM 138 CE2 PHE A 10 0.037 3.634 8.942 1.00 0.00 C ATOM 139 CZ PHE A 10 -1.181 2.946 8.919 1.00 0.00 C ATOM 0 H PHE A 10 2.041 3.999 3.055 1.00 0.00 H new ATOM 0 HA PHE A 10 2.407 2.692 5.603 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.343 4.925 5.350 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.022 4.209 4.448 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.606 2.716 5.549 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.608 4.511 7.760 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.717 2.085 7.677 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.492 3.894 9.886 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.663 2.671 9.846 1.00 0.00 H new ATOM 149 N LEU A 11 0.069 1.507 3.567 1.00 0.00 N ATOM 150 CA LEU A 11 -0.755 0.285 3.335 1.00 0.00 C ATOM 151 C LEU A 11 0.174 -0.917 3.177 1.00 0.00 C ATOM 152 O LEU A 11 -0.076 -1.972 3.727 1.00 0.00 O ATOM 153 CB LEU A 11 -1.597 0.442 2.056 1.00 0.00 C ATOM 154 CG LEU A 11 -2.670 1.529 2.260 1.00 0.00 C ATOM 155 CD1 LEU A 11 -3.187 1.996 0.896 1.00 0.00 C ATOM 156 CD2 LEU A 11 -3.851 0.980 3.081 1.00 0.00 C ATOM 0 H LEU A 11 -0.014 2.232 2.854 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.423 0.139 4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.953 0.708 1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.072 -0.506 1.805 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.220 2.363 2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.946 2.765 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.361 2.405 0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.622 1.151 0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.597 1.763 3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.299 0.137 2.555 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.494 0.650 4.057 1.00 0.00 H new ATOM 168 N VAL A 12 1.243 -0.785 2.439 1.00 0.00 N ATOM 169 CA VAL A 12 2.169 -1.937 2.268 1.00 0.00 C ATOM 170 C VAL A 12 2.718 -2.367 3.642 1.00 0.00 C ATOM 171 O VAL A 12 2.706 -3.533 3.980 1.00 0.00 O ATOM 172 CB VAL A 12 3.319 -1.499 1.342 1.00 0.00 C ATOM 173 CG1 VAL A 12 4.522 -2.437 1.490 1.00 0.00 C ATOM 174 CG2 VAL A 12 2.841 -1.533 -0.114 1.00 0.00 C ATOM 0 H VAL A 12 1.513 0.068 1.949 1.00 0.00 H new ATOM 0 HA VAL A 12 1.646 -2.785 1.827 1.00 0.00 H new ATOM 0 HB VAL A 12 3.620 -0.489 1.619 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.323 -2.109 0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.874 -2.417 2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.226 -3.453 1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.654 -1.223 -0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.532 -2.546 -0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.997 -0.854 -0.236 1.00 0.00 H new ATOM 184 N LYS A 13 3.193 -1.435 4.440 1.00 0.00 N ATOM 185 CA LYS A 13 3.738 -1.806 5.787 1.00 0.00 C ATOM 186 C LYS A 13 2.640 -2.497 6.600 1.00 0.00 C ATOM 187 O LYS A 13 2.864 -3.499 7.249 1.00 0.00 O ATOM 188 CB LYS A 13 4.221 -0.540 6.515 1.00 0.00 C ATOM 189 CG LYS A 13 4.442 -0.829 8.020 1.00 0.00 C ATOM 190 CD LYS A 13 5.594 0.029 8.562 1.00 0.00 C ATOM 191 CE LYS A 13 5.248 1.509 8.404 1.00 0.00 C ATOM 192 NZ LYS A 13 6.298 2.336 9.063 1.00 0.00 N ATOM 0 H LYS A 13 3.226 -0.440 4.217 1.00 0.00 H new ATOM 0 HA LYS A 13 4.581 -2.487 5.670 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.150 -0.188 6.066 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.487 0.257 6.396 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.529 -0.617 8.576 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.666 -1.886 8.166 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.771 -0.203 9.612 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.515 -0.199 8.025 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.177 1.766 7.347 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.274 1.716 8.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.064 3.344 8.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.345 2.097 10.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.219 2.146 8.619 1.00 0.00 H new ATOM 206 N GLU A 14 1.463 -1.943 6.587 1.00 0.00 N ATOM 207 CA GLU A 14 0.348 -2.534 7.379 1.00 0.00 C ATOM 208 C GLU A 14 -0.059 -3.868 6.758 1.00 0.00 C ATOM 209 O GLU A 14 -0.340 -4.819 7.455 1.00 0.00 O ATOM 210 CB GLU A 14 -0.844 -1.549 7.382 1.00 0.00 C ATOM 211 CG GLU A 14 -1.525 -1.540 8.758 1.00 0.00 C ATOM 212 CD GLU A 14 -2.036 -2.943 9.090 1.00 0.00 C ATOM 213 OE1 GLU A 14 -1.217 -3.793 9.397 1.00 0.00 O ATOM 214 OE2 GLU A 14 -3.238 -3.143 9.035 1.00 0.00 O ATOM 0 H GLU A 14 1.222 -1.103 6.061 1.00 0.00 H new ATOM 0 HA GLU A 14 0.665 -2.710 8.407 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.496 -0.546 7.134 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.563 -1.836 6.615 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.820 -1.209 9.521 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.353 -0.831 8.760 1.00 0.00 H new ATOM 221 N VAL A 15 -0.092 -3.956 5.463 1.00 0.00 N ATOM 222 CA VAL A 15 -0.490 -5.242 4.840 1.00 0.00 C ATOM 223 C VAL A 15 0.565 -6.312 5.149 1.00 0.00 C ATOM 224 O VAL A 15 0.234 -7.433 5.461 1.00 0.00 O ATOM 225 CB VAL A 15 -0.650 -5.057 3.317 1.00 0.00 C ATOM 226 CG1 VAL A 15 -0.520 -6.407 2.597 1.00 0.00 C ATOM 227 CG2 VAL A 15 -2.031 -4.462 3.017 1.00 0.00 C ATOM 0 H VAL A 15 0.137 -3.203 4.815 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.446 -5.567 5.251 1.00 0.00 H new ATOM 0 HB VAL A 15 0.132 -4.386 2.962 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.635 -6.259 1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.461 -6.835 2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.294 -7.086 2.955 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.145 -4.331 1.941 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.805 -5.136 3.384 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.126 -3.496 3.512 1.00 0.00 H new ATOM 237 N THR A 16 1.828 -6.008 5.036 1.00 0.00 N ATOM 238 CA THR A 16 2.818 -7.084 5.297 1.00 0.00 C ATOM 239 C THR A 16 2.696 -7.568 6.735 1.00 0.00 C ATOM 240 O THR A 16 2.772 -8.750 7.005 1.00 0.00 O ATOM 241 CB THR A 16 4.260 -6.645 5.052 1.00 0.00 C ATOM 242 OG1 THR A 16 4.749 -5.970 6.203 1.00 0.00 O ATOM 243 CG2 THR A 16 4.381 -5.723 3.827 1.00 0.00 C ATOM 0 H THR A 16 2.206 -5.095 4.784 1.00 0.00 H new ATOM 0 HA THR A 16 2.590 -7.885 4.594 1.00 0.00 H new ATOM 0 HB THR A 16 4.852 -7.539 4.855 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.166 -5.210 6.409 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.423 -5.435 3.690 1.00 0.00 H new ATOM 0 HG22 THR A 16 4.030 -6.249 2.939 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.775 -4.830 3.982 1.00 0.00 H new ATOM 251 N LYS A 17 2.492 -6.681 7.668 1.00 0.00 N ATOM 252 CA LYS A 17 2.353 -7.144 9.068 1.00 0.00 C ATOM 253 C LYS A 17 1.153 -8.085 9.111 1.00 0.00 C ATOM 254 O LYS A 17 1.126 -9.063 9.831 1.00 0.00 O ATOM 255 CB LYS A 17 2.111 -5.952 10.005 1.00 0.00 C ATOM 256 CG LYS A 17 2.052 -6.452 11.468 1.00 0.00 C ATOM 257 CD LYS A 17 1.163 -5.547 12.325 1.00 0.00 C ATOM 258 CE LYS A 17 0.986 -6.182 13.711 1.00 0.00 C ATOM 259 NZ LYS A 17 2.228 -5.983 14.510 1.00 0.00 N ATOM 0 H LYS A 17 2.417 -5.674 7.523 1.00 0.00 H new ATOM 0 HA LYS A 17 3.262 -7.649 9.396 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.909 -5.218 9.892 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.179 -5.452 9.742 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.668 -7.472 11.492 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.058 -6.480 11.887 1.00 0.00 H new ATOM 0 HD2 LYS A 17 1.613 -4.559 12.419 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.193 -5.412 11.847 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.135 -5.732 14.223 1.00 0.00 H new ATOM 0 HE3 LYS A 17 0.772 -7.246 13.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.085 -6.353 15.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.016 -6.489 14.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.450 -4.968 14.559 1.00 0.00 H new ATOM 273 N LEU A 18 0.164 -7.781 8.322 1.00 0.00 N ATOM 274 CA LEU A 18 -1.054 -8.623 8.269 1.00 0.00 C ATOM 275 C LEU A 18 -0.703 -9.931 7.547 1.00 0.00 C ATOM 276 O LEU A 18 -1.154 -10.997 7.913 1.00 0.00 O ATOM 277 CB LEU A 18 -2.157 -7.839 7.529 1.00 0.00 C ATOM 278 CG LEU A 18 -2.744 -6.633 8.363 1.00 0.00 C ATOM 279 CD1 LEU A 18 -4.273 -6.689 8.357 1.00 0.00 C ATOM 280 CD2 LEU A 18 -2.289 -6.608 9.838 1.00 0.00 C ATOM 0 H LEU A 18 0.151 -6.971 7.702 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.420 -8.868 9.266 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.753 -7.458 6.591 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.967 -8.522 7.274 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.362 -5.735 7.878 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.670 -5.854 8.934 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.635 -6.626 7.331 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.604 -7.627 8.801 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.735 -5.750 10.342 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.608 -7.526 10.333 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.203 -6.530 9.882 1.00 0.00 H new ATOM 292 N ILE A 19 0.140 -9.854 6.551 1.00 0.00 N ATOM 293 CA ILE A 19 0.572 -11.086 5.833 1.00 0.00 C ATOM 294 C ILE A 19 1.470 -11.859 6.790 1.00 0.00 C ATOM 295 O ILE A 19 1.518 -13.073 6.786 1.00 0.00 O ATOM 296 CB ILE A 19 1.359 -10.708 4.564 1.00 0.00 C ATOM 297 CG1 ILE A 19 0.404 -10.040 3.559 1.00 0.00 C ATOM 298 CG2 ILE A 19 1.967 -11.967 3.934 1.00 0.00 C ATOM 299 CD1 ILE A 19 1.179 -9.558 2.326 1.00 0.00 C ATOM 0 H ILE A 19 0.549 -8.986 6.204 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.287 -11.684 5.530 1.00 0.00 H new ATOM 0 HB ILE A 19 2.161 -10.018 4.826 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.369 -10.746 3.257 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.101 -9.197 4.032 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.522 -11.693 3.037 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.641 -12.442 4.647 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.170 -12.662 3.669 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.490 -9.088 1.624 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.936 -8.835 2.631 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.663 -10.408 1.845 1.00 0.00 H new ATOM 311 N ASP A 20 2.185 -11.144 7.614 1.00 0.00 N ATOM 312 CA ASP A 20 3.095 -11.796 8.587 1.00 0.00 C ATOM 313 C ASP A 20 2.293 -12.385 9.751 1.00 0.00 C ATOM 314 O ASP A 20 2.752 -13.294 10.414 1.00 0.00 O ATOM 315 CB ASP A 20 4.080 -10.759 9.129 1.00 0.00 C ATOM 316 CG ASP A 20 4.822 -10.102 7.963 1.00 0.00 C ATOM 317 OD1 ASP A 20 5.144 -10.806 7.020 1.00 0.00 O ATOM 318 OD2 ASP A 20 5.055 -8.906 8.032 1.00 0.00 O ATOM 0 H ASP A 20 2.175 -10.125 7.652 1.00 0.00 H new ATOM 0 HA ASP A 20 3.635 -12.599 8.085 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.548 -10.004 9.707 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.791 -11.235 9.804 1.00 0.00 H new ATOM 323 N ASN A 21 1.104 -11.881 10.023 1.00 0.00 N ATOM 324 CA ASN A 21 0.314 -12.443 11.171 1.00 0.00 C ATOM 325 C ASN A 21 -0.523 -13.634 10.681 1.00 0.00 C ATOM 326 O ASN A 21 -1.206 -14.269 11.457 1.00 0.00 O ATOM 327 CB ASN A 21 -0.566 -11.369 11.813 1.00 0.00 C ATOM 328 CG ASN A 21 -1.326 -11.971 12.997 1.00 0.00 C ATOM 329 OD1 ASN A 21 -2.324 -11.430 13.432 1.00 0.00 O ATOM 330 ND2 ASN A 21 -0.893 -13.074 13.542 1.00 0.00 N ATOM 0 H ASN A 21 0.656 -11.121 9.511 1.00 0.00 H new ATOM 0 HA ASN A 21 1.003 -12.792 11.940 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.048 -10.534 12.149 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.269 -10.974 11.080 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.392 -13.482 14.333 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.056 -13.528 13.178 1.00 0.00 H new ATOM 337 N ASN A 22 -0.417 -13.978 9.417 1.00 0.00 N ATOM 338 CA ASN A 22 -1.139 -15.188 8.874 1.00 0.00 C ATOM 339 C ASN A 22 -2.617 -14.915 8.551 1.00 0.00 C ATOM 340 O ASN A 22 -3.464 -15.746 8.814 1.00 0.00 O ATOM 341 CB ASN A 22 -1.055 -16.339 9.902 1.00 0.00 C ATOM 342 CG ASN A 22 -1.084 -17.693 9.182 1.00 0.00 C ATOM 343 OD1 ASN A 22 -1.736 -17.841 8.168 1.00 0.00 O ATOM 344 ND2 ASN A 22 -0.399 -18.692 9.669 1.00 0.00 N ATOM 0 H ASN A 22 0.142 -13.472 8.730 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.647 -15.457 7.939 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.139 -16.249 10.486 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.888 -16.273 10.602 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.411 -19.597 9.198 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.149 -18.568 10.521 1.00 0.00 H new ATOM 351 N LYS A 23 -2.950 -13.790 7.979 1.00 0.00 N ATOM 352 CA LYS A 23 -4.389 -13.522 7.643 1.00 0.00 C ATOM 353 C LYS A 23 -4.629 -13.886 6.167 1.00 0.00 C ATOM 354 O LYS A 23 -3.744 -13.791 5.340 1.00 0.00 O ATOM 355 CB LYS A 23 -4.694 -12.044 7.879 1.00 0.00 C ATOM 356 CG LYS A 23 -4.055 -11.548 9.218 1.00 0.00 C ATOM 357 CD LYS A 23 -5.104 -10.863 10.120 1.00 0.00 C ATOM 358 CE LYS A 23 -4.507 -10.622 11.507 1.00 0.00 C ATOM 359 NZ LYS A 23 -5.571 -10.124 12.425 1.00 0.00 N ATOM 0 H LYS A 23 -2.298 -13.046 7.729 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.044 -14.123 8.274 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.311 -11.452 7.048 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.773 -11.891 7.908 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.613 -12.392 9.747 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.247 -10.849 9.001 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.417 -9.917 9.678 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.994 -11.487 10.199 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.079 -11.546 11.896 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.696 -9.896 11.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.166 -9.960 13.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.960 -9.233 12.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.330 -10.831 12.492 1.00 0.00 H new ATOM 373 N THR A 24 -5.834 -14.298 5.836 1.00 0.00 N ATOM 374 CA THR A 24 -6.155 -14.664 4.421 1.00 0.00 C ATOM 375 C THR A 24 -6.375 -13.406 3.577 1.00 0.00 C ATOM 376 O THR A 24 -6.425 -12.310 4.092 1.00 0.00 O ATOM 377 CB THR A 24 -7.440 -15.505 4.373 1.00 0.00 C ATOM 378 OG1 THR A 24 -8.565 -14.642 4.277 1.00 0.00 O ATOM 379 CG2 THR A 24 -7.563 -16.353 5.634 1.00 0.00 C ATOM 0 H THR A 24 -6.610 -14.396 6.491 1.00 0.00 H new ATOM 0 HA THR A 24 -5.315 -15.233 4.023 1.00 0.00 H new ATOM 0 HB THR A 24 -7.400 -16.162 3.504 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.386 -15.177 4.245 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.478 -16.944 5.587 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.704 -17.019 5.710 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.596 -15.703 6.508 1.00 0.00 H new ATOM 387 N GLU A 25 -6.546 -13.565 2.290 1.00 0.00 N ATOM 388 CA GLU A 25 -6.801 -12.375 1.422 1.00 0.00 C ATOM 389 C GLU A 25 -8.184 -11.808 1.784 1.00 0.00 C ATOM 390 O GLU A 25 -8.364 -10.613 1.890 1.00 0.00 O ATOM 391 CB GLU A 25 -6.749 -12.777 -0.063 1.00 0.00 C ATOM 392 CG GLU A 25 -6.437 -11.547 -0.923 1.00 0.00 C ATOM 393 CD GLU A 25 -6.581 -11.907 -2.402 1.00 0.00 C ATOM 394 OE1 GLU A 25 -7.530 -12.597 -2.734 1.00 0.00 O ATOM 395 OE2 GLU A 25 -5.740 -11.485 -3.179 1.00 0.00 O ATOM 0 H GLU A 25 -6.521 -14.461 1.804 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.036 -11.617 1.586 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.987 -13.542 -0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.702 -13.211 -0.365 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.114 -10.732 -0.669 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.425 -11.196 -0.720 1.00 0.00 H new ATOM 402 N LYS A 26 -9.164 -12.660 1.970 1.00 0.00 N ATOM 403 CA LYS A 26 -10.535 -12.168 2.315 1.00 0.00 C ATOM 404 C LYS A 26 -10.493 -11.281 3.571 1.00 0.00 C ATOM 405 O LYS A 26 -11.270 -10.358 3.707 1.00 0.00 O ATOM 406 CB LYS A 26 -11.498 -13.352 2.559 1.00 0.00 C ATOM 407 CG LYS A 26 -11.173 -14.538 1.643 1.00 0.00 C ATOM 408 CD LYS A 26 -11.135 -14.096 0.171 1.00 0.00 C ATOM 409 CE LYS A 26 -12.488 -13.498 -0.232 1.00 0.00 C ATOM 410 NZ LYS A 26 -12.625 -13.544 -1.716 1.00 0.00 N ATOM 0 H LYS A 26 -9.074 -13.673 1.898 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.898 -11.581 1.472 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.433 -13.667 3.601 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.525 -13.029 2.387 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.211 -14.967 1.924 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.921 -15.320 1.774 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.345 -13.360 0.024 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.900 -14.948 -0.467 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.299 -14.055 0.237 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.563 -12.469 0.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.542 -13.139 -1.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.858 -12.994 -2.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.571 -14.531 -2.039 1.00 0.00 H new ATOM 424 N GLU A 27 -9.608 -11.550 4.487 1.00 0.00 N ATOM 425 CA GLU A 27 -9.547 -10.715 5.726 1.00 0.00 C ATOM 426 C GLU A 27 -8.858 -9.368 5.444 1.00 0.00 C ATOM 427 O GLU A 27 -9.236 -8.353 5.993 1.00 0.00 O ATOM 428 CB GLU A 27 -8.767 -11.464 6.812 1.00 0.00 C ATOM 429 CG GLU A 27 -9.660 -12.525 7.468 1.00 0.00 C ATOM 430 CD GLU A 27 -10.722 -11.839 8.328 1.00 0.00 C ATOM 431 OE1 GLU A 27 -10.657 -10.628 8.463 1.00 0.00 O ATOM 432 OE2 GLU A 27 -11.585 -12.536 8.838 1.00 0.00 O ATOM 0 H GLU A 27 -8.926 -12.307 4.436 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.566 -10.524 6.063 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.887 -11.937 6.377 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.411 -10.761 7.565 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.137 -13.137 6.703 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.057 -13.194 8.082 1.00 0.00 H new ATOM 439 N ILE A 28 -7.854 -9.337 4.608 1.00 0.00 N ATOM 440 CA ILE A 28 -7.170 -8.037 4.329 1.00 0.00 C ATOM 441 C ILE A 28 -8.163 -7.098 3.652 1.00 0.00 C ATOM 442 O ILE A 28 -8.210 -5.918 3.940 1.00 0.00 O ATOM 443 CB ILE A 28 -5.952 -8.297 3.425 1.00 0.00 C ATOM 444 CG1 ILE A 28 -5.193 -9.549 3.967 1.00 0.00 C ATOM 445 CG2 ILE A 28 -5.053 -7.053 3.389 1.00 0.00 C ATOM 446 CD1 ILE A 28 -3.667 -9.379 3.985 1.00 0.00 C ATOM 0 H ILE A 28 -7.480 -10.145 4.110 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.823 -7.575 5.253 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.267 -8.496 2.401 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.539 -9.764 4.978 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.447 -10.413 3.353 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.193 -7.244 2.747 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.618 -6.207 2.997 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.709 -6.823 4.398 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.204 -10.286 4.373 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.310 -9.194 2.972 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.402 -8.536 4.623 1.00 0.00 H new ATOM 458 N LEU A 29 -8.966 -7.607 2.767 1.00 0.00 N ATOM 459 CA LEU A 29 -9.964 -6.743 2.087 1.00 0.00 C ATOM 460 C LEU A 29 -11.087 -6.387 3.073 1.00 0.00 C ATOM 461 O LEU A 29 -11.709 -5.352 2.981 1.00 0.00 O ATOM 462 CB LEU A 29 -10.529 -7.496 0.883 1.00 0.00 C ATOM 463 CG LEU A 29 -9.371 -8.028 0.028 1.00 0.00 C ATOM 464 CD1 LEU A 29 -9.937 -8.833 -1.145 1.00 0.00 C ATOM 465 CD2 LEU A 29 -8.536 -6.853 -0.509 1.00 0.00 C ATOM 0 H LEU A 29 -8.975 -8.587 2.484 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.495 -5.820 1.745 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.158 -8.321 1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -11.160 -6.835 0.290 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.735 -8.668 0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.117 -9.213 -1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.523 -9.669 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.574 -8.191 -1.753 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.715 -7.237 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.167 -6.207 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.133 -6.281 0.327 1.00 0.00 H new ATOM 477 N ASP A 30 -11.335 -7.240 4.029 1.00 0.00 N ATOM 478 CA ASP A 30 -12.394 -6.939 5.040 1.00 0.00 C ATOM 479 C ASP A 30 -11.891 -5.801 5.935 1.00 0.00 C ATOM 480 O ASP A 30 -12.611 -4.868 6.234 1.00 0.00 O ATOM 481 CB ASP A 30 -12.671 -8.181 5.892 1.00 0.00 C ATOM 482 CG ASP A 30 -13.272 -9.279 5.014 1.00 0.00 C ATOM 483 OD1 ASP A 30 -13.892 -8.943 4.018 1.00 0.00 O ATOM 484 OD2 ASP A 30 -13.103 -10.439 5.353 1.00 0.00 O ATOM 0 H ASP A 30 -10.853 -8.130 4.156 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.317 -6.648 4.539 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.747 -8.533 6.351 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -13.356 -7.933 6.703 1.00 0.00 H new ATOM 489 N ALA A 31 -10.669 -5.883 6.385 1.00 0.00 N ATOM 490 CA ALA A 31 -10.120 -4.825 7.284 1.00 0.00 C ATOM 491 C ALA A 31 -9.983 -3.496 6.525 1.00 0.00 C ATOM 492 O ALA A 31 -10.013 -2.438 7.120 1.00 0.00 O ATOM 493 CB ALA A 31 -8.751 -5.276 7.802 1.00 0.00 C ATOM 0 H ALA A 31 -10.022 -6.641 6.168 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.800 -4.672 8.122 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.341 -4.510 8.460 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.861 -6.209 8.355 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.076 -5.430 6.960 1.00 0.00 H new ATOM 499 N PHE A 32 -9.861 -3.526 5.230 1.00 0.00 N ATOM 500 CA PHE A 32 -9.757 -2.249 4.457 1.00 0.00 C ATOM 501 C PHE A 32 -10.930 -1.337 4.829 1.00 0.00 C ATOM 502 O PHE A 32 -10.943 -0.166 4.503 1.00 0.00 O ATOM 503 CB PHE A 32 -9.829 -2.597 2.960 1.00 0.00 C ATOM 504 CG PHE A 32 -8.467 -2.983 2.388 1.00 0.00 C ATOM 505 CD1 PHE A 32 -7.367 -3.329 3.208 1.00 0.00 C ATOM 506 CD2 PHE A 32 -8.308 -2.970 0.996 1.00 0.00 C ATOM 507 CE1 PHE A 32 -6.136 -3.651 2.625 1.00 0.00 C ATOM 508 CE2 PHE A 32 -7.072 -3.287 0.422 1.00 0.00 C ATOM 509 CZ PHE A 32 -5.989 -3.624 1.236 1.00 0.00 C ATOM 0 H PHE A 32 -9.828 -4.377 4.668 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.822 -1.736 4.683 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.528 -3.420 2.814 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.223 -1.743 2.409 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.477 -3.345 4.282 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.144 -2.714 0.362 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.298 -3.921 3.250 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.956 -3.271 -0.652 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.035 -3.864 0.791 1.00 0.00 H new ATOM 519 N ASP A 33 -11.925 -1.865 5.482 1.00 0.00 N ATOM 520 CA ASP A 33 -13.105 -1.030 5.840 1.00 0.00 C ATOM 521 C ASP A 33 -12.828 -0.209 7.100 1.00 0.00 C ATOM 522 O ASP A 33 -13.501 0.769 7.360 1.00 0.00 O ATOM 523 CB ASP A 33 -14.308 -1.942 6.092 1.00 0.00 C ATOM 524 CG ASP A 33 -15.536 -1.089 6.415 1.00 0.00 C ATOM 525 OD1 ASP A 33 -15.561 -0.503 7.486 1.00 0.00 O ATOM 526 OD2 ASP A 33 -16.430 -1.036 5.587 1.00 0.00 O ATOM 0 H ASP A 33 -11.973 -2.838 5.784 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.312 -0.347 5.016 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.501 -2.558 5.214 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.096 -2.621 6.918 1.00 0.00 H new ATOM 531 N LYS A 34 -11.839 -0.580 7.881 1.00 0.00 N ATOM 532 CA LYS A 34 -11.515 0.200 9.120 1.00 0.00 C ATOM 533 C LYS A 34 -10.011 0.491 9.162 1.00 0.00 C ATOM 534 O LYS A 34 -9.489 0.935 10.165 1.00 0.00 O ATOM 535 CB LYS A 34 -11.923 -0.598 10.363 1.00 0.00 C ATOM 536 CG LYS A 34 -11.394 -2.030 10.268 1.00 0.00 C ATOM 537 CD LYS A 34 -11.613 -2.749 11.604 1.00 0.00 C ATOM 538 CE LYS A 34 -13.109 -2.783 11.944 1.00 0.00 C ATOM 539 NZ LYS A 34 -13.496 -1.506 12.607 1.00 0.00 N ATOM 0 H LYS A 34 -11.242 -1.390 7.714 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.066 1.140 9.106 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.531 -0.116 11.259 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.009 -0.609 10.457 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.905 -2.565 9.468 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.333 -2.021 10.018 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.221 -3.765 11.548 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.064 -2.239 12.395 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.696 -2.927 11.037 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.325 -3.626 12.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.930 -1.711 13.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.650 -0.917 12.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.178 -0.997 12.009 1.00 0.00 H new ATOM 553 N MET A 35 -9.304 0.256 8.082 1.00 0.00 N ATOM 554 CA MET A 35 -7.836 0.536 8.083 1.00 0.00 C ATOM 555 C MET A 35 -7.627 2.036 7.860 1.00 0.00 C ATOM 556 O MET A 35 -6.804 2.641 8.519 1.00 0.00 O ATOM 557 CB MET A 35 -7.149 -0.292 6.972 1.00 0.00 C ATOM 558 CG MET A 35 -5.891 -0.981 7.504 1.00 0.00 C ATOM 559 SD MET A 35 -4.869 -1.530 6.109 1.00 0.00 S ATOM 560 CE MET A 35 -5.112 -3.316 6.305 1.00 0.00 C ATOM 0 H MET A 35 -9.677 -0.114 7.208 1.00 0.00 H new ATOM 0 HA MET A 35 -7.393 0.252 9.037 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.843 -1.040 6.588 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.887 0.358 6.137 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.326 -0.295 8.135 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.165 -1.833 8.126 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.172 -3.785 5.323 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.274 -3.739 6.858 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.037 -3.500 6.852 1.00 0.00 H new ATOM 570 N CYS A 36 -8.347 2.665 6.964 1.00 0.00 N ATOM 571 CA CYS A 36 -8.115 4.121 6.797 1.00 0.00 C ATOM 572 C CYS A 36 -8.516 4.790 8.108 1.00 0.00 C ATOM 573 O CYS A 36 -8.418 5.990 8.266 1.00 0.00 O ATOM 574 CB CYS A 36 -8.933 4.694 5.634 1.00 0.00 C ATOM 575 SG CYS A 36 -8.132 6.190 5.021 1.00 0.00 S ATOM 0 H CYS A 36 -9.058 2.248 6.364 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.067 4.307 6.562 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -9.015 3.958 4.834 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.947 4.920 5.964 1.00 0.00 H new ATOM 580 N SER A 37 -8.981 4.014 9.050 1.00 0.00 N ATOM 581 CA SER A 37 -9.405 4.604 10.357 1.00 0.00 C ATOM 582 C SER A 37 -8.191 4.857 11.265 1.00 0.00 C ATOM 583 O SER A 37 -8.347 5.227 12.412 1.00 0.00 O ATOM 584 CB SER A 37 -10.368 3.647 11.060 1.00 0.00 C ATOM 585 OG SER A 37 -11.080 4.355 12.066 1.00 0.00 O ATOM 0 H SER A 37 -9.086 3.002 8.974 1.00 0.00 H new ATOM 0 HA SER A 37 -9.898 5.556 10.161 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.064 3.218 10.339 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.817 2.818 11.503 1.00 0.00 H new ATOM 0 HG SER A 37 -10.458 4.917 12.573 1.00 0.00 H new ATOM 591 N LYS A 38 -6.985 4.657 10.776 1.00 0.00 N ATOM 592 CA LYS A 38 -5.765 4.885 11.631 1.00 0.00 C ATOM 593 C LYS A 38 -4.978 6.106 11.119 1.00 0.00 C ATOM 594 O LYS A 38 -3.993 6.507 11.707 1.00 0.00 O ATOM 595 CB LYS A 38 -4.877 3.632 11.598 1.00 0.00 C ATOM 596 CG LYS A 38 -5.461 2.559 12.521 1.00 0.00 C ATOM 597 CD LYS A 38 -4.580 1.309 12.471 1.00 0.00 C ATOM 598 CE LYS A 38 -5.308 0.142 13.140 1.00 0.00 C ATOM 599 NZ LYS A 38 -5.704 0.531 14.523 1.00 0.00 N ATOM 0 H LYS A 38 -6.791 4.346 9.824 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.076 5.079 12.657 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.808 3.250 10.579 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.864 3.884 11.913 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.519 2.935 13.542 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.477 2.313 12.213 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.344 1.059 11.437 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.633 1.498 12.977 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.190 -0.130 12.561 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.662 -0.735 13.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.899 -0.324 15.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.931 1.067 14.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.559 1.122 14.486 1.00 0.00 H new ATOM 613 N LEU A 39 -5.421 6.715 10.045 1.00 0.00 N ATOM 614 CA LEU A 39 -4.723 7.932 9.505 1.00 0.00 C ATOM 615 C LEU A 39 -5.566 9.167 9.886 1.00 0.00 C ATOM 616 O LEU A 39 -6.778 9.088 9.839 1.00 0.00 O ATOM 617 CB LEU A 39 -4.636 7.822 7.979 1.00 0.00 C ATOM 618 CG LEU A 39 -3.936 6.511 7.591 1.00 0.00 C ATOM 619 CD1 LEU A 39 -3.953 6.356 6.071 1.00 0.00 C ATOM 620 CD2 LEU A 39 -2.479 6.518 8.087 1.00 0.00 C ATOM 0 H LEU A 39 -6.241 6.422 9.514 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.717 8.017 9.916 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.636 7.853 7.545 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.086 8.672 7.575 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.465 5.677 8.054 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.456 5.426 5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.984 6.335 5.719 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.430 7.196 5.614 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.994 5.583 7.805 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.945 7.354 7.635 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.464 6.622 9.172 1.00 0.00 H new ATOM 632 N PRO A 40 -4.943 10.278 10.259 1.00 0.00 N ATOM 633 CA PRO A 40 -5.709 11.486 10.636 1.00 0.00 C ATOM 634 C PRO A 40 -6.864 11.700 9.635 1.00 0.00 C ATOM 635 O PRO A 40 -6.837 11.192 8.531 1.00 0.00 O ATOM 636 CB PRO A 40 -4.660 12.624 10.629 1.00 0.00 C ATOM 637 CG PRO A 40 -3.255 11.954 10.549 1.00 0.00 C ATOM 638 CD PRO A 40 -3.472 10.441 10.333 1.00 0.00 C ATOM 0 HA PRO A 40 -6.190 11.424 11.612 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.819 13.288 9.780 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.746 13.232 11.530 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.674 12.378 9.730 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.692 12.133 11.465 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.989 10.099 9.418 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.050 9.860 11.153 1.00 0.00 H new ATOM 646 N LYS A 41 -7.893 12.419 10.025 1.00 0.00 N ATOM 647 CA LYS A 41 -9.055 12.624 9.107 1.00 0.00 C ATOM 648 C LYS A 41 -8.650 13.385 7.845 1.00 0.00 C ATOM 649 O LYS A 41 -9.334 13.347 6.842 1.00 0.00 O ATOM 650 CB LYS A 41 -10.187 13.361 9.822 1.00 0.00 C ATOM 651 CG LYS A 41 -11.420 13.421 8.907 1.00 0.00 C ATOM 652 CD LYS A 41 -12.668 13.722 9.741 1.00 0.00 C ATOM 653 CE LYS A 41 -12.540 15.108 10.373 1.00 0.00 C ATOM 654 NZ LYS A 41 -13.863 15.528 10.917 1.00 0.00 N ATOM 0 H LYS A 41 -7.975 12.870 10.936 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.408 11.637 8.807 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.436 12.851 10.752 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.868 14.369 10.087 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.284 14.191 8.148 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.542 12.474 8.382 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.557 13.679 9.112 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.790 12.967 10.518 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.796 15.089 11.170 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.194 15.828 9.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.778 16.471 11.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.561 15.561 10.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.175 14.846 11.637 1.00 0.00 H new ATOM 668 N SER A 42 -7.599 14.152 7.914 1.00 0.00 N ATOM 669 CA SER A 42 -7.223 15.002 6.750 1.00 0.00 C ATOM 670 C SER A 42 -6.610 14.205 5.605 1.00 0.00 C ATOM 671 O SER A 42 -6.319 14.715 4.540 1.00 0.00 O ATOM 672 CB SER A 42 -6.247 16.087 7.200 1.00 0.00 C ATOM 673 OG SER A 42 -5.851 16.859 6.074 1.00 0.00 O ATOM 0 H SER A 42 -6.984 14.228 8.725 1.00 0.00 H new ATOM 0 HA SER A 42 -8.142 15.449 6.372 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.716 16.727 7.947 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.374 15.635 7.670 1.00 0.00 H new ATOM 0 HG SER A 42 -5.973 16.332 5.257 1.00 0.00 H new ATOM 679 N LEU A 43 -6.375 12.948 5.861 1.00 0.00 N ATOM 680 CA LEU A 43 -5.732 12.037 4.871 1.00 0.00 C ATOM 681 C LEU A 43 -6.763 10.976 4.473 1.00 0.00 C ATOM 682 O LEU A 43 -6.531 10.154 3.608 1.00 0.00 O ATOM 683 CB LEU A 43 -4.532 11.384 5.611 1.00 0.00 C ATOM 684 CG LEU A 43 -3.206 11.693 4.922 1.00 0.00 C ATOM 685 CD1 LEU A 43 -3.015 13.218 4.719 1.00 0.00 C ATOM 686 CD2 LEU A 43 -2.042 11.123 5.752 1.00 0.00 C ATOM 0 H LEU A 43 -6.610 12.500 6.746 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.393 12.550 3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.500 11.744 6.639 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.676 10.304 5.655 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.218 11.223 3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.061 13.403 4.226 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.824 13.607 4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.026 13.718 5.687 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.098 11.346 5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.047 11.575 6.744 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.156 10.043 5.845 1.00 0.00 H new ATOM 698 N SER A 44 -7.883 10.994 5.121 1.00 0.00 N ATOM 699 CA SER A 44 -8.967 10.002 4.839 1.00 0.00 C ATOM 700 C SER A 44 -9.068 9.701 3.341 1.00 0.00 C ATOM 701 O SER A 44 -8.879 8.595 2.879 1.00 0.00 O ATOM 702 CB SER A 44 -10.300 10.573 5.321 1.00 0.00 C ATOM 703 OG SER A 44 -11.357 9.724 4.895 1.00 0.00 O ATOM 0 H SER A 44 -8.107 11.667 5.854 1.00 0.00 H new ATOM 0 HA SER A 44 -8.731 9.075 5.362 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.301 10.657 6.408 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.443 11.578 4.924 1.00 0.00 H new ATOM 0 HG SER A 44 -12.213 10.087 5.204 1.00 0.00 H new ATOM 709 N GLU A 45 -9.535 10.692 2.626 1.00 0.00 N ATOM 710 CA GLU A 45 -9.886 10.588 1.178 1.00 0.00 C ATOM 711 C GLU A 45 -8.846 10.039 0.211 1.00 0.00 C ATOM 712 O GLU A 45 -9.096 9.104 -0.523 1.00 0.00 O ATOM 713 CB GLU A 45 -10.213 12.003 0.696 1.00 0.00 C ATOM 714 CG GLU A 45 -11.394 12.565 1.492 1.00 0.00 C ATOM 715 CD GLU A 45 -12.671 11.818 1.102 1.00 0.00 C ATOM 716 OE1 GLU A 45 -13.035 11.874 -0.060 1.00 0.00 O ATOM 717 OE2 GLU A 45 -13.263 11.202 1.973 1.00 0.00 O ATOM 0 H GLU A 45 -9.695 11.622 3.013 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.696 9.859 1.156 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.342 12.648 0.816 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.454 11.988 -0.367 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.210 12.459 2.561 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.507 13.631 1.292 1.00 0.00 H new ATOM 724 N GLU A 46 -7.688 10.608 0.203 1.00 0.00 N ATOM 725 CA GLU A 46 -6.636 10.120 -0.714 1.00 0.00 C ATOM 726 C GLU A 46 -6.410 8.635 -0.479 1.00 0.00 C ATOM 727 O GLU A 46 -5.906 7.940 -1.331 1.00 0.00 O ATOM 728 CB GLU A 46 -5.349 10.888 -0.453 1.00 0.00 C ATOM 729 CG GLU A 46 -5.545 12.358 -0.837 1.00 0.00 C ATOM 730 CD GLU A 46 -6.401 13.052 0.224 1.00 0.00 C ATOM 731 OE1 GLU A 46 -6.186 12.788 1.395 1.00 0.00 O ATOM 732 OE2 GLU A 46 -7.258 13.836 -0.153 1.00 0.00 O ATOM 0 H GLU A 46 -7.420 11.395 0.794 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.945 10.275 -1.748 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.073 10.809 0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.532 10.456 -1.030 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.579 12.855 -0.922 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.027 12.429 -1.812 1.00 0.00 H new ATOM 739 N CYS A 47 -6.785 8.133 0.659 1.00 0.00 N ATOM 740 CA CYS A 47 -6.593 6.686 0.914 1.00 0.00 C ATOM 741 C CYS A 47 -7.727 5.919 0.239 1.00 0.00 C ATOM 742 O CYS A 47 -7.516 4.898 -0.385 1.00 0.00 O ATOM 743 CB CYS A 47 -6.595 6.452 2.436 1.00 0.00 C ATOM 744 SG CYS A 47 -8.248 5.987 3.020 1.00 0.00 S ATOM 0 H CYS A 47 -7.214 8.660 1.420 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.644 6.336 0.508 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.882 5.667 2.688 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.266 7.357 2.947 1.00 0.00 H new ATOM 749 N GLN A 48 -8.927 6.400 0.361 1.00 0.00 N ATOM 750 CA GLN A 48 -10.067 5.690 -0.272 1.00 0.00 C ATOM 751 C GLN A 48 -9.757 5.465 -1.750 1.00 0.00 C ATOM 752 O GLN A 48 -10.051 4.424 -2.305 1.00 0.00 O ATOM 753 CB GLN A 48 -11.340 6.528 -0.134 1.00 0.00 C ATOM 754 CG GLN A 48 -12.535 5.733 -0.664 1.00 0.00 C ATOM 755 CD GLN A 48 -13.828 6.500 -0.380 1.00 0.00 C ATOM 756 OE1 GLN A 48 -14.624 6.723 -1.270 1.00 0.00 O ATOM 757 NE2 GLN A 48 -14.072 6.917 0.832 1.00 0.00 N ATOM 0 H GLN A 48 -9.168 7.251 0.869 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.219 4.730 0.221 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -11.501 6.794 0.911 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -11.236 7.461 -0.688 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -12.427 5.566 -1.736 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -12.571 4.752 -0.191 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -13.404 6.730 1.580 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -14.931 7.430 1.032 1.00 0.00 H new ATOM 766 N GLU A 49 -9.175 6.439 -2.397 1.00 0.00 N ATOM 767 CA GLU A 49 -8.858 6.292 -3.842 1.00 0.00 C ATOM 768 C GLU A 49 -7.746 5.257 -4.048 1.00 0.00 C ATOM 769 O GLU A 49 -7.800 4.454 -4.957 1.00 0.00 O ATOM 770 CB GLU A 49 -8.409 7.645 -4.400 1.00 0.00 C ATOM 771 CG GLU A 49 -7.962 7.477 -5.856 1.00 0.00 C ATOM 772 CD GLU A 49 -7.816 8.854 -6.506 1.00 0.00 C ATOM 773 OE1 GLU A 49 -8.817 9.539 -6.629 1.00 0.00 O ATOM 774 OE2 GLU A 49 -6.704 9.200 -6.872 1.00 0.00 O ATOM 0 H GLU A 49 -8.906 7.332 -1.983 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.751 5.951 -4.366 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.226 8.364 -4.340 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.590 8.043 -3.801 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.014 6.941 -5.897 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.690 6.879 -6.405 1.00 0.00 H new ATOM 781 N VAL A 50 -6.740 5.259 -3.207 1.00 0.00 N ATOM 782 CA VAL A 50 -5.647 4.260 -3.373 1.00 0.00 C ATOM 783 C VAL A 50 -6.187 2.876 -3.040 1.00 0.00 C ATOM 784 O VAL A 50 -6.032 1.938 -3.795 1.00 0.00 O ATOM 785 CB VAL A 50 -4.467 4.553 -2.434 1.00 0.00 C ATOM 786 CG1 VAL A 50 -3.321 3.585 -2.746 1.00 0.00 C ATOM 787 CG2 VAL A 50 -3.983 6.002 -2.626 1.00 0.00 C ATOM 0 H VAL A 50 -6.632 5.902 -2.423 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.296 4.312 -4.404 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.790 4.423 -1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.481 3.789 -2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.660 2.560 -2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.005 3.716 -3.781 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.146 6.198 -1.955 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.662 6.145 -3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.798 6.691 -2.401 1.00 0.00 H new ATOM 797 N VAL A 51 -6.789 2.731 -1.888 1.00 0.00 N ATOM 798 CA VAL A 51 -7.296 1.395 -1.486 1.00 0.00 C ATOM 799 C VAL A 51 -8.328 0.897 -2.506 1.00 0.00 C ATOM 800 O VAL A 51 -8.240 -0.201 -3.015 1.00 0.00 O ATOM 801 CB VAL A 51 -7.859 1.477 -0.061 1.00 0.00 C ATOM 802 CG1 VAL A 51 -8.292 0.098 0.413 1.00 0.00 C ATOM 803 CG2 VAL A 51 -6.778 2.017 0.884 1.00 0.00 C ATOM 0 H VAL A 51 -6.949 3.480 -1.214 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.486 0.666 -1.478 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.722 2.143 -0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.690 0.169 1.425 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.063 -0.290 -0.253 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.434 -0.575 0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.176 2.076 1.897 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.917 1.349 0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.472 3.010 0.556 1.00 0.00 H new ATOM 813 N ASP A 52 -9.339 1.686 -2.756 1.00 0.00 N ATOM 814 CA ASP A 52 -10.436 1.267 -3.680 1.00 0.00 C ATOM 815 C ASP A 52 -9.936 1.037 -5.107 1.00 0.00 C ATOM 816 O ASP A 52 -10.335 0.099 -5.769 1.00 0.00 O ATOM 817 CB ASP A 52 -11.510 2.360 -3.697 1.00 0.00 C ATOM 818 CG ASP A 52 -12.706 1.887 -4.526 1.00 0.00 C ATOM 819 OD1 ASP A 52 -13.318 0.906 -4.138 1.00 0.00 O ATOM 820 OD2 ASP A 52 -12.989 2.514 -5.534 1.00 0.00 O ATOM 0 H ASP A 52 -9.454 2.616 -2.354 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.839 0.322 -3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.827 2.589 -2.680 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.102 3.279 -4.118 1.00 0.00 H new ATOM 825 N THR A 53 -9.088 1.895 -5.595 1.00 0.00 N ATOM 826 CA THR A 53 -8.585 1.741 -6.989 1.00 0.00 C ATOM 827 C THR A 53 -7.384 0.804 -7.032 1.00 0.00 C ATOM 828 O THR A 53 -7.253 0.019 -7.951 1.00 0.00 O ATOM 829 CB THR A 53 -8.176 3.113 -7.529 1.00 0.00 C ATOM 830 OG1 THR A 53 -9.226 4.042 -7.300 1.00 0.00 O ATOM 831 CG2 THR A 53 -7.900 3.013 -9.030 1.00 0.00 C ATOM 0 H THR A 53 -8.719 2.700 -5.088 1.00 0.00 H new ATOM 0 HA THR A 53 -9.379 1.315 -7.602 1.00 0.00 H new ATOM 0 HB THR A 53 -7.274 3.450 -7.019 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.099 4.471 -6.428 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.609 3.991 -9.412 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.094 2.300 -9.205 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.800 2.676 -9.544 1.00 0.00 H new ATOM 839 N TYR A 54 -6.489 0.886 -6.079 1.00 0.00 N ATOM 840 CA TYR A 54 -5.277 0.006 -6.114 1.00 0.00 C ATOM 841 C TYR A 54 -5.293 -1.052 -5.005 1.00 0.00 C ATOM 842 O TYR A 54 -4.269 -1.437 -4.481 1.00 0.00 O ATOM 843 CB TYR A 54 -4.032 0.870 -5.973 1.00 0.00 C ATOM 844 CG TYR A 54 -3.883 1.740 -7.199 1.00 0.00 C ATOM 845 CD1 TYR A 54 -4.481 2.999 -7.227 1.00 0.00 C ATOM 846 CD2 TYR A 54 -3.148 1.290 -8.302 1.00 0.00 C ATOM 847 CE1 TYR A 54 -4.350 3.818 -8.348 1.00 0.00 C ATOM 848 CE2 TYR A 54 -3.013 2.110 -9.431 1.00 0.00 C ATOM 849 CZ TYR A 54 -3.614 3.375 -9.454 1.00 0.00 C ATOM 850 OH TYR A 54 -3.483 4.182 -10.566 1.00 0.00 O ATOM 0 H TYR A 54 -6.543 1.520 -5.282 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.275 -0.522 -7.068 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.106 1.491 -5.080 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.151 0.240 -5.851 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.049 3.342 -6.375 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.686 0.314 -8.283 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.815 4.792 -8.363 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.446 1.766 -10.283 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.941 3.723 -11.241 1.00 0.00 H new ATOM 860 N GLY A 55 -6.460 -1.486 -4.612 1.00 0.00 N ATOM 861 CA GLY A 55 -6.565 -2.475 -3.502 1.00 0.00 C ATOM 862 C GLY A 55 -6.311 -3.899 -3.985 1.00 0.00 C ATOM 863 O GLY A 55 -5.479 -4.597 -3.444 1.00 0.00 O ATOM 0 H GLY A 55 -7.351 -1.196 -5.015 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.847 -2.223 -2.722 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.557 -2.415 -3.054 1.00 0.00 H new ATOM 867 N SER A 56 -7.028 -4.359 -4.973 1.00 0.00 N ATOM 868 CA SER A 56 -6.807 -5.755 -5.425 1.00 0.00 C ATOM 869 C SER A 56 -5.422 -5.882 -6.051 1.00 0.00 C ATOM 870 O SER A 56 -4.823 -6.939 -6.062 1.00 0.00 O ATOM 871 CB SER A 56 -7.877 -6.161 -6.441 1.00 0.00 C ATOM 872 OG SER A 56 -9.019 -5.329 -6.280 1.00 0.00 O ATOM 0 H SER A 56 -7.745 -3.837 -5.477 1.00 0.00 H new ATOM 0 HA SER A 56 -6.874 -6.418 -4.563 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.486 -6.069 -7.454 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.152 -7.206 -6.299 1.00 0.00 H new ATOM 0 HG SER A 56 -9.705 -5.586 -6.931 1.00 0.00 H new ATOM 878 N SER A 57 -4.945 -4.818 -6.645 1.00 0.00 N ATOM 879 CA SER A 57 -3.640 -4.899 -7.350 1.00 0.00 C ATOM 880 C SER A 57 -2.485 -4.926 -6.356 1.00 0.00 C ATOM 881 O SER A 57 -1.639 -5.790 -6.419 1.00 0.00 O ATOM 882 CB SER A 57 -3.484 -3.735 -8.326 1.00 0.00 C ATOM 883 OG SER A 57 -3.378 -2.521 -7.593 1.00 0.00 O ATOM 0 H SER A 57 -5.401 -3.906 -6.670 1.00 0.00 H new ATOM 0 HA SER A 57 -3.618 -5.829 -7.918 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.598 -3.879 -8.944 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.339 -3.693 -9.000 1.00 0.00 H new ATOM 0 HG SER A 57 -3.276 -1.771 -8.215 1.00 0.00 H new ATOM 889 N ILE A 58 -2.462 -4.041 -5.397 1.00 0.00 N ATOM 890 CA ILE A 58 -1.372 -4.094 -4.387 1.00 0.00 C ATOM 891 C ILE A 58 -1.349 -5.504 -3.803 1.00 0.00 C ATOM 892 O ILE A 58 -0.319 -6.137 -3.670 1.00 0.00 O ATOM 893 CB ILE A 58 -1.648 -3.073 -3.265 1.00 0.00 C ATOM 894 CG1 ILE A 58 -1.383 -1.651 -3.799 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.715 -3.361 -2.076 1.00 0.00 C ATOM 896 CD1 ILE A 58 -1.781 -0.589 -2.757 1.00 0.00 C ATOM 0 H ILE A 58 -3.143 -3.292 -5.271 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.414 -3.853 -4.847 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.685 -3.152 -2.939 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.328 -1.543 -4.049 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.946 -1.493 -4.719 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.907 -2.641 -1.280 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.899 -4.369 -1.705 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.323 -3.277 -2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.584 0.405 -3.158 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.842 -0.684 -2.527 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.198 -0.735 -1.847 1.00 0.00 H new ATOM 908 N LEU A 59 -2.507 -5.975 -3.452 1.00 0.00 N ATOM 909 CA LEU A 59 -2.654 -7.329 -2.859 1.00 0.00 C ATOM 910 C LEU A 59 -2.193 -8.399 -3.851 1.00 0.00 C ATOM 911 O LEU A 59 -1.825 -9.480 -3.446 1.00 0.00 O ATOM 912 CB LEU A 59 -4.151 -7.560 -2.527 1.00 0.00 C ATOM 913 CG LEU A 59 -4.434 -7.552 -1.022 1.00 0.00 C ATOM 914 CD1 LEU A 59 -3.712 -8.720 -0.328 1.00 0.00 C ATOM 915 CD2 LEU A 59 -4.000 -6.217 -0.408 1.00 0.00 C ATOM 0 H LEU A 59 -3.383 -5.463 -3.554 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.043 -7.397 -1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.749 -6.786 -3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.468 -8.515 -2.947 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.507 -7.674 -0.872 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.926 -8.697 0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.061 -9.664 -0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.637 -8.628 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.207 -6.224 0.662 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.932 -6.072 -0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.552 -5.403 -0.879 1.00 0.00 H new ATOM 927 N SER A 60 -2.256 -8.163 -5.135 1.00 0.00 N ATOM 928 CA SER A 60 -1.864 -9.258 -6.073 1.00 0.00 C ATOM 929 C SER A 60 -0.346 -9.300 -6.242 1.00 0.00 C ATOM 930 O SER A 60 0.250 -10.346 -6.417 1.00 0.00 O ATOM 931 CB SER A 60 -2.527 -9.008 -7.420 1.00 0.00 C ATOM 932 OG SER A 60 -1.884 -9.790 -8.419 1.00 0.00 O ATOM 0 H SER A 60 -2.552 -7.288 -5.566 1.00 0.00 H new ATOM 0 HA SER A 60 -2.190 -10.216 -5.668 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.585 -9.263 -7.369 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.466 -7.950 -7.676 1.00 0.00 H new ATOM 0 HG SER A 60 -2.312 -9.630 -9.286 1.00 0.00 H new ATOM 938 N ILE A 61 0.272 -8.153 -6.210 1.00 0.00 N ATOM 939 CA ILE A 61 1.748 -8.076 -6.388 1.00 0.00 C ATOM 940 C ILE A 61 2.485 -8.606 -5.158 1.00 0.00 C ATOM 941 O ILE A 61 3.425 -9.369 -5.259 1.00 0.00 O ATOM 942 CB ILE A 61 2.134 -6.611 -6.628 1.00 0.00 C ATOM 943 CG1 ILE A 61 1.224 -6.032 -7.757 1.00 0.00 C ATOM 944 CG2 ILE A 61 3.629 -6.531 -6.991 1.00 0.00 C ATOM 945 CD1 ILE A 61 1.996 -5.094 -8.697 1.00 0.00 C ATOM 0 H ILE A 61 -0.189 -7.255 -6.066 1.00 0.00 H new ATOM 0 HA ILE A 61 2.034 -8.693 -7.240 1.00 0.00 H new ATOM 0 HB ILE A 61 1.982 -6.014 -5.729 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.797 -6.852 -8.334 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.391 -5.490 -7.309 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.907 -5.491 -7.162 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.224 -6.935 -6.172 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.815 -7.110 -7.896 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.323 -4.715 -9.466 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.401 -4.259 -8.126 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.813 -5.642 -9.167 1.00 0.00 H new ATOM 957 N LEU A 62 2.078 -8.177 -3.995 1.00 0.00 N ATOM 958 CA LEU A 62 2.761 -8.616 -2.752 1.00 0.00 C ATOM 959 C LEU A 62 2.760 -10.146 -2.687 1.00 0.00 C ATOM 960 O LEU A 62 3.703 -10.762 -2.232 1.00 0.00 O ATOM 961 CB LEU A 62 2.007 -8.007 -1.547 1.00 0.00 C ATOM 962 CG LEU A 62 2.885 -6.967 -0.828 1.00 0.00 C ATOM 963 CD1 LEU A 62 2.004 -6.049 0.030 1.00 0.00 C ATOM 964 CD2 LEU A 62 3.914 -7.694 0.050 1.00 0.00 C ATOM 0 H LEU A 62 1.296 -7.537 -3.855 1.00 0.00 H new ATOM 0 HA LEU A 62 3.797 -8.278 -2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.084 -7.538 -1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.725 -8.797 -0.851 1.00 0.00 H new ATOM 0 HG LEU A 62 3.410 -6.357 -1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.630 -5.314 0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.285 -5.535 -0.608 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.471 -6.645 0.771 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.538 -6.961 0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.395 -8.306 0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.540 -8.331 -0.575 1.00 0.00 H new ATOM 976 N LEU A 63 1.705 -10.761 -3.139 1.00 0.00 N ATOM 977 CA LEU A 63 1.637 -12.245 -3.105 1.00 0.00 C ATOM 978 C LEU A 63 2.568 -12.838 -4.164 1.00 0.00 C ATOM 979 O LEU A 63 2.886 -14.010 -4.133 1.00 0.00 O ATOM 980 CB LEU A 63 0.194 -12.701 -3.322 1.00 0.00 C ATOM 981 CG LEU A 63 -0.694 -12.104 -2.223 1.00 0.00 C ATOM 982 CD1 LEU A 63 -2.154 -12.480 -2.490 1.00 0.00 C ATOM 983 CD2 LEU A 63 -0.262 -12.636 -0.843 1.00 0.00 C ATOM 0 H LEU A 63 0.885 -10.298 -3.531 1.00 0.00 H new ATOM 0 HA LEU A 63 1.967 -12.601 -2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.157 -12.382 -4.303 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.137 -13.789 -3.301 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.590 -11.019 -2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.787 -12.057 -1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.460 -12.086 -3.459 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.256 -13.565 -2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.900 -12.205 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.355 -13.722 -0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.775 -12.358 -0.654 1.00 0.00 H new ATOM 995 N GLU A 64 3.025 -12.038 -5.094 1.00 0.00 N ATOM 996 CA GLU A 64 3.951 -12.564 -6.138 1.00 0.00 C ATOM 997 C GLU A 64 5.376 -12.491 -5.587 1.00 0.00 C ATOM 998 O GLU A 64 6.339 -12.341 -6.312 1.00 0.00 O ATOM 999 CB GLU A 64 3.830 -11.736 -7.422 1.00 0.00 C ATOM 1000 CG GLU A 64 2.584 -12.160 -8.197 1.00 0.00 C ATOM 1001 CD GLU A 64 2.430 -11.274 -9.436 1.00 0.00 C ATOM 1002 OE1 GLU A 64 2.678 -10.085 -9.324 1.00 0.00 O ATOM 1003 OE2 GLU A 64 2.066 -11.800 -10.475 1.00 0.00 O ATOM 0 H GLU A 64 2.797 -11.047 -5.174 1.00 0.00 H new ATOM 0 HA GLU A 64 3.697 -13.595 -6.382 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.774 -10.675 -7.177 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.718 -11.874 -8.039 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.664 -13.206 -8.492 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.701 -12.074 -7.563 1.00 0.00 H new ATOM 1010 N GLU A 65 5.498 -12.650 -4.298 1.00 0.00 N ATOM 1011 CA GLU A 65 6.843 -12.652 -3.659 1.00 0.00 C ATOM 1012 C GLU A 65 7.698 -11.465 -4.118 1.00 0.00 C ATOM 1013 O GLU A 65 8.910 -11.540 -4.160 1.00 0.00 O ATOM 1014 CB GLU A 65 7.557 -13.934 -4.095 1.00 0.00 C ATOM 1015 CG GLU A 65 6.801 -15.148 -3.552 1.00 0.00 C ATOM 1016 CD GLU A 65 6.993 -15.235 -2.037 1.00 0.00 C ATOM 1017 OE1 GLU A 65 8.111 -15.482 -1.616 1.00 0.00 O ATOM 1018 OE2 GLU A 65 6.020 -15.053 -1.324 1.00 0.00 O ATOM 0 H GLU A 65 4.717 -12.780 -3.655 1.00 0.00 H new ATOM 0 HA GLU A 65 6.714 -12.586 -2.579 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.610 -13.982 -5.183 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.582 -13.936 -3.726 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.741 -15.065 -3.790 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.165 -16.059 -4.028 1.00 0.00 H new ATOM 1025 N VAL A 66 7.075 -10.356 -4.431 1.00 0.00 N ATOM 1026 CA VAL A 66 7.846 -9.141 -4.851 1.00 0.00 C ATOM 1027 C VAL A 66 8.143 -8.307 -3.591 1.00 0.00 C ATOM 1028 O VAL A 66 7.346 -8.243 -2.676 1.00 0.00 O ATOM 1029 CB VAL A 66 6.994 -8.333 -5.860 1.00 0.00 C ATOM 1030 CG1 VAL A 66 7.338 -6.836 -5.801 1.00 0.00 C ATOM 1031 CG2 VAL A 66 7.260 -8.851 -7.282 1.00 0.00 C ATOM 0 H VAL A 66 6.062 -10.238 -4.414 1.00 0.00 H new ATOM 0 HA VAL A 66 8.785 -9.414 -5.332 1.00 0.00 H new ATOM 0 HB VAL A 66 5.943 -8.460 -5.599 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.725 -6.293 -6.520 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.142 -6.457 -4.798 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.391 -6.695 -6.043 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.661 -8.283 -7.994 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.317 -8.732 -7.521 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.991 -9.906 -7.341 1.00 0.00 H new ATOM 1041 N SER A 67 9.289 -7.675 -3.541 1.00 0.00 N ATOM 1042 CA SER A 67 9.644 -6.853 -2.346 1.00 0.00 C ATOM 1043 C SER A 67 8.519 -5.825 -2.080 1.00 0.00 C ATOM 1044 O SER A 67 7.831 -5.441 -3.004 1.00 0.00 O ATOM 1045 CB SER A 67 10.977 -6.134 -2.611 1.00 0.00 C ATOM 1046 OG SER A 67 11.757 -6.920 -3.502 1.00 0.00 O ATOM 0 H SER A 67 9.994 -7.694 -4.278 1.00 0.00 H new ATOM 0 HA SER A 67 9.751 -7.491 -1.468 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.795 -5.148 -3.039 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.515 -5.980 -1.675 1.00 0.00 H new ATOM 0 HG SER A 67 12.608 -6.468 -3.678 1.00 0.00 H new ATOM 1052 N PRO A 68 8.339 -5.414 -0.834 1.00 0.00 N ATOM 1053 CA PRO A 68 7.270 -4.448 -0.489 1.00 0.00 C ATOM 1054 C PRO A 68 7.521 -3.046 -1.090 1.00 0.00 C ATOM 1055 O PRO A 68 6.606 -2.404 -1.553 1.00 0.00 O ATOM 1056 CB PRO A 68 7.292 -4.376 1.058 1.00 0.00 C ATOM 1057 CG PRO A 68 8.582 -5.096 1.534 1.00 0.00 C ATOM 1058 CD PRO A 68 9.149 -5.868 0.325 1.00 0.00 C ATOM 0 HA PRO A 68 6.310 -4.770 -0.892 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.284 -3.339 1.395 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.407 -4.855 1.478 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.310 -4.375 1.905 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.361 -5.777 2.356 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.207 -5.649 0.178 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.063 -6.945 0.469 1.00 0.00 H new ATOM 1066 N GLU A 69 8.726 -2.541 -1.043 1.00 0.00 N ATOM 1067 CA GLU A 69 8.958 -1.159 -1.572 1.00 0.00 C ATOM 1068 C GLU A 69 8.922 -1.144 -3.106 1.00 0.00 C ATOM 1069 O GLU A 69 8.752 -0.102 -3.725 1.00 0.00 O ATOM 1070 CB GLU A 69 10.298 -0.607 -1.054 1.00 0.00 C ATOM 1071 CG GLU A 69 11.487 -1.417 -1.591 1.00 0.00 C ATOM 1072 CD GLU A 69 11.447 -2.839 -1.036 1.00 0.00 C ATOM 1073 OE1 GLU A 69 10.847 -3.031 0.010 1.00 0.00 O ATOM 1074 OE2 GLU A 69 12.020 -3.713 -1.663 1.00 0.00 O ATOM 0 H GLU A 69 9.549 -3.014 -0.669 1.00 0.00 H new ATOM 0 HA GLU A 69 8.155 -0.516 -1.212 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.403 0.436 -1.353 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.304 -0.629 0.036 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.457 -1.443 -2.680 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.423 -0.934 -1.309 1.00 0.00 H new ATOM 1081 N LEU A 70 9.039 -2.279 -3.734 1.00 0.00 N ATOM 1082 CA LEU A 70 8.978 -2.280 -5.222 1.00 0.00 C ATOM 1083 C LEU A 70 7.519 -2.049 -5.626 1.00 0.00 C ATOM 1084 O LEU A 70 7.216 -1.750 -6.763 1.00 0.00 O ATOM 1085 CB LEU A 70 9.519 -3.604 -5.782 1.00 0.00 C ATOM 1086 CG LEU A 70 11.046 -3.650 -5.643 1.00 0.00 C ATOM 1087 CD1 LEU A 70 11.547 -5.071 -5.935 1.00 0.00 C ATOM 1088 CD2 LEU A 70 11.722 -2.656 -6.610 1.00 0.00 C ATOM 0 H LEU A 70 9.172 -3.189 -3.293 1.00 0.00 H new ATOM 0 HA LEU A 70 9.602 -1.488 -5.635 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.072 -4.443 -5.249 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.238 -3.706 -6.830 1.00 0.00 H new ATOM 0 HG LEU A 70 11.305 -3.367 -4.623 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.632 -5.102 -5.836 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.098 -5.768 -5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.267 -5.354 -6.950 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.804 -2.710 -6.490 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.458 -2.910 -7.636 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.382 -1.644 -6.388 1.00 0.00 H new ATOM 1100 N VAL A 71 6.610 -2.212 -4.695 1.00 0.00 N ATOM 1101 CA VAL A 71 5.170 -2.027 -5.026 1.00 0.00 C ATOM 1102 C VAL A 71 4.894 -0.564 -5.379 1.00 0.00 C ATOM 1103 O VAL A 71 4.359 -0.277 -6.427 1.00 0.00 O ATOM 1104 CB VAL A 71 4.282 -2.472 -3.838 1.00 0.00 C ATOM 1105 CG1 VAL A 71 2.880 -1.821 -3.904 1.00 0.00 C ATOM 1106 CG2 VAL A 71 4.138 -3.997 -3.856 1.00 0.00 C ATOM 0 H VAL A 71 6.806 -2.464 -3.726 1.00 0.00 H new ATOM 0 HA VAL A 71 4.927 -2.647 -5.889 1.00 0.00 H new ATOM 0 HB VAL A 71 4.762 -2.149 -2.914 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.283 -2.155 -3.055 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.981 -0.736 -3.872 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.387 -2.112 -4.831 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.513 -4.313 -3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.676 -4.308 -4.793 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.122 -4.456 -3.767 1.00 0.00 H new ATOM 1116 N CYS A 72 5.202 0.369 -4.523 1.00 0.00 N ATOM 1117 CA CYS A 72 4.869 1.773 -4.874 1.00 0.00 C ATOM 1118 C CYS A 72 5.680 2.217 -6.105 1.00 0.00 C ATOM 1119 O CYS A 72 5.260 3.070 -6.861 1.00 0.00 O ATOM 1120 CB CYS A 72 5.159 2.696 -3.675 1.00 0.00 C ATOM 1121 SG CYS A 72 4.394 2.023 -2.174 1.00 0.00 S ATOM 0 H CYS A 72 5.657 0.226 -3.621 1.00 0.00 H new ATOM 0 HA CYS A 72 3.808 1.838 -5.117 1.00 0.00 H new ATOM 0 HB2 CYS A 72 6.235 2.793 -3.532 1.00 0.00 H new ATOM 0 HB3 CYS A 72 4.772 3.696 -3.873 1.00 0.00 H new ATOM 1126 N SER A 73 6.837 1.633 -6.313 1.00 0.00 N ATOM 1127 CA SER A 73 7.665 2.020 -7.504 1.00 0.00 C ATOM 1128 C SER A 73 7.101 1.395 -8.800 1.00 0.00 C ATOM 1129 O SER A 73 7.114 2.020 -9.842 1.00 0.00 O ATOM 1130 CB SER A 73 9.113 1.576 -7.298 1.00 0.00 C ATOM 1131 OG SER A 73 9.482 1.789 -5.942 1.00 0.00 O ATOM 0 H SER A 73 7.242 0.912 -5.717 1.00 0.00 H new ATOM 0 HA SER A 73 7.630 3.105 -7.606 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.222 0.522 -7.555 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.775 2.136 -7.959 1.00 0.00 H new ATOM 0 HG SER A 73 9.197 1.023 -5.401 1.00 0.00 H new ATOM 1137 N MET A 74 6.612 0.183 -8.760 1.00 0.00 N ATOM 1138 CA MET A 74 6.060 -0.449 -10.010 1.00 0.00 C ATOM 1139 C MET A 74 4.686 0.154 -10.372 1.00 0.00 C ATOM 1140 O MET A 74 4.394 0.364 -11.533 1.00 0.00 O ATOM 1141 CB MET A 74 5.907 -1.983 -9.794 1.00 0.00 C ATOM 1142 CG MET A 74 7.086 -2.765 -10.408 1.00 0.00 C ATOM 1143 SD MET A 74 6.608 -4.499 -10.647 1.00 0.00 S ATOM 1144 CE MET A 74 5.807 -4.773 -9.046 1.00 0.00 C ATOM 0 H MET A 74 6.568 -0.399 -7.924 1.00 0.00 H new ATOM 0 HA MET A 74 6.753 -0.254 -10.829 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.845 -2.196 -8.727 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.973 -2.322 -10.241 1.00 0.00 H new ATOM 0 HG2 MET A 74 7.372 -2.321 -11.362 1.00 0.00 H new ATOM 0 HG3 MET A 74 7.956 -2.704 -9.754 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.743 -5.843 -8.850 1.00 0.00 H new ATOM 0 HE2 MET A 74 6.391 -4.294 -8.260 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.804 -4.346 -9.063 1.00 0.00 H new ATOM 1154 N LEU A 75 3.833 0.416 -9.419 1.00 0.00 N ATOM 1155 CA LEU A 75 2.490 0.977 -9.775 1.00 0.00 C ATOM 1156 C LEU A 75 2.623 2.443 -10.215 1.00 0.00 C ATOM 1157 O LEU A 75 1.651 3.168 -10.286 1.00 0.00 O ATOM 1158 CB LEU A 75 1.548 0.879 -8.567 1.00 0.00 C ATOM 1159 CG LEU A 75 1.497 -0.567 -8.039 1.00 0.00 C ATOM 1160 CD1 LEU A 75 0.413 -0.687 -6.964 1.00 0.00 C ATOM 1161 CD2 LEU A 75 1.190 -1.545 -9.184 1.00 0.00 C ATOM 0 H LEU A 75 4.000 0.270 -8.423 1.00 0.00 H new ATOM 0 HA LEU A 75 2.077 0.399 -10.602 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.889 1.549 -7.777 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.547 1.204 -8.851 1.00 0.00 H new ATOM 0 HG LEU A 75 2.468 -0.816 -7.611 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.380 -1.711 -6.593 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.641 -0.010 -6.141 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.555 -0.425 -7.392 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.157 -2.563 -8.794 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.226 -1.295 -9.627 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.968 -1.472 -9.943 1.00 0.00 H new ATOM 1173 N HIS A 76 3.815 2.879 -10.513 1.00 0.00 N ATOM 1174 CA HIS A 76 4.016 4.293 -10.957 1.00 0.00 C ATOM 1175 C HIS A 76 3.331 5.257 -9.978 1.00 0.00 C ATOM 1176 O HIS A 76 3.054 6.387 -10.326 1.00 0.00 O ATOM 1177 CB HIS A 76 3.443 4.481 -12.367 1.00 0.00 C ATOM 1178 CG HIS A 76 4.004 3.424 -13.278 1.00 0.00 C ATOM 1179 ND1 HIS A 76 3.209 2.714 -14.164 1.00 0.00 N ATOM 1180 CD2 HIS A 76 5.279 2.945 -13.452 1.00 0.00 C ATOM 1181 CE1 HIS A 76 4.006 1.854 -14.824 1.00 0.00 C ATOM 1182 NE2 HIS A 76 5.277 1.953 -14.429 1.00 0.00 N ATOM 0 H HIS A 76 4.665 2.316 -10.469 1.00 0.00 H new ATOM 0 HA HIS A 76 5.084 4.511 -10.974 1.00 0.00 H new ATOM 0 HB2 HIS A 76 2.355 4.415 -12.341 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.693 5.472 -12.744 1.00 0.00 H new ATOM 0 HD2 HIS A 76 6.151 3.286 -12.913 1.00 0.00 H new ATOM 0 HE1 HIS A 76 3.659 1.167 -15.582 1.00 0.00 H new ATOM 0 HE2 HIS A 76 6.075 1.417 -14.770 1.00 0.00 H new ATOM 1190 N LEU A 77 3.057 4.856 -8.767 1.00 0.00 N ATOM 1191 CA LEU A 77 2.398 5.806 -7.819 1.00 0.00 C ATOM 1192 C LEU A 77 3.472 6.678 -7.169 1.00 0.00 C ATOM 1193 O LEU A 77 3.174 7.674 -6.541 1.00 0.00 O ATOM 1194 CB LEU A 77 1.637 5.035 -6.723 1.00 0.00 C ATOM 1195 CG LEU A 77 0.306 4.449 -7.227 1.00 0.00 C ATOM 1196 CD1 LEU A 77 -0.470 3.898 -6.025 1.00 0.00 C ATOM 1197 CD2 LEU A 77 -0.562 5.515 -7.931 1.00 0.00 C ATOM 0 H LEU A 77 3.256 3.927 -8.395 1.00 0.00 H new ATOM 0 HA LEU A 77 1.688 6.424 -8.368 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.266 4.228 -6.348 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.441 5.702 -5.884 1.00 0.00 H new ATOM 0 HG LEU A 77 0.530 3.665 -7.950 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.417 3.478 -6.365 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.118 3.120 -5.538 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.663 4.703 -5.317 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.492 5.060 -8.271 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.787 6.321 -7.232 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.021 5.918 -8.787 1.00 0.00 H new ATOM 1209 N CYS A 78 4.720 6.315 -7.330 1.00 0.00 N ATOM 1210 CA CYS A 78 5.834 7.122 -6.742 1.00 0.00 C ATOM 1211 C CYS A 78 6.871 7.397 -7.834 1.00 0.00 C ATOM 1212 O CYS A 78 7.512 8.428 -7.865 1.00 0.00 O ATOM 1213 CB CYS A 78 6.488 6.339 -5.603 1.00 0.00 C ATOM 1214 SG CYS A 78 5.410 6.369 -4.150 1.00 0.00 S ATOM 0 H CYS A 78 5.017 5.488 -7.848 1.00 0.00 H new ATOM 0 HA CYS A 78 5.445 8.063 -6.352 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.669 5.310 -5.913 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.457 6.774 -5.359 1.00 0.00 H new ATOM 1219 N SER A 79 7.011 6.470 -8.740 1.00 0.00 N ATOM 1220 CA SER A 79 7.972 6.621 -9.871 1.00 0.00 C ATOM 1221 C SER A 79 9.413 6.733 -9.362 1.00 0.00 C ATOM 1222 O SER A 79 10.353 6.732 -10.132 1.00 0.00 O ATOM 1223 CB SER A 79 7.613 7.858 -10.697 1.00 0.00 C ATOM 1224 OG SER A 79 8.247 7.773 -11.966 1.00 0.00 O ATOM 0 H SER A 79 6.488 5.594 -8.745 1.00 0.00 H new ATOM 0 HA SER A 79 7.902 5.732 -10.498 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.532 7.926 -10.821 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.932 8.762 -10.178 1.00 0.00 H new ATOM 0 HG SER A 79 9.106 7.311 -11.872 1.00 0.00 H new ATOM 1230 N GLY A 80 9.595 6.850 -8.070 1.00 0.00 N ATOM 1231 CA GLY A 80 10.975 6.988 -7.509 1.00 0.00 C ATOM 1232 C GLY A 80 11.264 8.473 -7.272 1.00 0.00 C ATOM 1233 O GLY A 80 10.365 9.253 -7.025 1.00 0.00 O ATOM 0 H GLY A 80 8.846 6.856 -7.378 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.060 6.433 -6.575 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.707 6.566 -8.198 1.00 0.00 H new ATOM 1237 N LEU A 81 12.505 8.877 -7.347 1.00 0.00 N ATOM 1238 CA LEU A 81 12.835 10.318 -7.127 1.00 0.00 C ATOM 1239 C LEU A 81 12.676 11.080 -8.446 1.00 0.00 C ATOM 1240 O LEU A 81 13.639 11.407 -9.111 1.00 0.00 O ATOM 1241 CB LEU A 81 14.280 10.441 -6.628 1.00 0.00 C ATOM 1242 CG LEU A 81 14.592 11.900 -6.252 1.00 0.00 C ATOM 1243 CD1 LEU A 81 13.798 12.318 -4.999 1.00 0.00 C ATOM 1244 CD2 LEU A 81 16.095 12.031 -5.979 1.00 0.00 C ATOM 0 H LEU A 81 13.303 8.275 -7.550 1.00 0.00 H new ATOM 0 HA LEU A 81 12.161 10.740 -6.381 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.429 9.795 -5.763 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.969 10.102 -7.401 1.00 0.00 H new ATOM 0 HG LEU A 81 14.303 12.553 -7.076 1.00 0.00 H new ATOM 0 HD11 LEU A 81 14.032 13.353 -4.749 1.00 0.00 H new ATOM 0 HD12 LEU A 81 12.730 12.225 -5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 81 14.070 11.672 -4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 81 16.328 13.062 -5.711 1.00 0.00 H new ATOM 0 HD22 LEU A 81 16.375 11.371 -5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 81 16.653 11.754 -6.873 1.00 0.00 H new ATOM 1256 N VAL A 82 11.458 11.370 -8.820 1.00 0.00 N ATOM 1257 CA VAL A 82 11.203 12.119 -10.088 1.00 0.00 C ATOM 1258 C VAL A 82 11.106 13.622 -9.755 1.00 0.00 C ATOM 1259 O VAL A 82 10.706 13.962 -8.659 1.00 0.00 O ATOM 1260 CB VAL A 82 9.871 11.629 -10.673 1.00 0.00 C ATOM 1261 CG1 VAL A 82 10.036 10.207 -11.219 1.00 0.00 C ATOM 1262 CG2 VAL A 82 8.809 11.618 -9.569 1.00 0.00 C ATOM 0 H VAL A 82 10.620 11.118 -8.296 1.00 0.00 H new ATOM 0 HA VAL A 82 12.005 11.957 -10.809 1.00 0.00 H new ATOM 0 HB VAL A 82 9.566 12.296 -11.480 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.088 9.864 -11.633 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.796 10.203 -12.001 1.00 0.00 H new ATOM 0 HG13 VAL A 82 10.342 9.541 -10.412 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.861 11.271 -9.980 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.124 10.950 -8.768 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.685 12.626 -9.173 1.00 0.00 H new ATOM 1272 N PRO A 83 11.462 14.496 -10.684 1.00 0.00 N ATOM 1273 CA PRO A 83 11.386 15.946 -10.426 1.00 0.00 C ATOM 1274 C PRO A 83 10.026 16.304 -9.815 1.00 0.00 C ATOM 1275 O PRO A 83 9.818 17.404 -9.342 1.00 0.00 O ATOM 1276 CB PRO A 83 11.616 16.613 -11.799 1.00 0.00 C ATOM 1277 CG PRO A 83 12.036 15.488 -12.793 1.00 0.00 C ATOM 1278 CD PRO A 83 11.953 14.141 -12.036 1.00 0.00 C ATOM 0 HA PRO A 83 12.128 16.290 -9.706 1.00 0.00 H new ATOM 0 HB2 PRO A 83 10.709 17.110 -12.142 1.00 0.00 H new ATOM 0 HB3 PRO A 83 12.392 17.376 -11.731 1.00 0.00 H new ATOM 0 HG2 PRO A 83 11.379 15.480 -13.662 1.00 0.00 H new ATOM 0 HG3 PRO A 83 13.048 15.659 -13.160 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.274 13.449 -12.534 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.927 13.654 -11.988 1.00 0.00 H new ATOM 1286 N ARG A 84 9.100 15.391 -9.835 1.00 0.00 N ATOM 1287 CA ARG A 84 7.753 15.685 -9.270 1.00 0.00 C ATOM 1288 C ARG A 84 6.982 14.378 -9.077 1.00 0.00 C ATOM 1289 O ARG A 84 6.852 13.642 -10.041 1.00 0.00 O ATOM 1290 CB ARG A 84 6.992 16.590 -10.240 1.00 0.00 C ATOM 1291 CG ARG A 84 5.659 17.013 -9.619 1.00 0.00 C ATOM 1292 CD ARG A 84 4.953 17.993 -10.557 1.00 0.00 C ATOM 1293 NE ARG A 84 3.558 18.221 -10.084 1.00 0.00 N ATOM 1294 CZ ARG A 84 2.871 19.230 -10.546 1.00 0.00 C ATOM 1295 NH1 ARG A 84 3.405 20.039 -11.421 1.00 0.00 N ATOM 1296 NH2 ARG A 84 1.649 19.430 -10.134 1.00 0.00 N ATOM 1297 OXT ARG A 84 6.533 14.136 -7.968 1.00 0.00 O ATOM 0 H ARG A 84 9.215 14.453 -10.218 1.00 0.00 H new ATOM 0 HA ARG A 84 7.859 16.184 -8.307 1.00 0.00 H new ATOM 0 HB2 ARG A 84 7.590 17.471 -10.475 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.816 16.065 -11.179 1.00 0.00 H new ATOM 0 HG2 ARG A 84 5.031 16.139 -9.448 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.828 17.479 -8.648 1.00 0.00 H new ATOM 0 HD2 ARG A 84 5.496 18.938 -10.588 1.00 0.00 H new ATOM 0 HD3 ARG A 84 4.943 17.597 -11.573 1.00 0.00 H new ATOM 0 HE ARG A 84 3.141 17.589 -9.400 1.00 0.00 H new ATOM 0 HH11 ARG A 84 4.360 19.883 -11.744 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.867 20.827 -11.781 1.00 0.00 H new ATOM 0 HH21 ARG A 84 1.231 18.798 -9.451 1.00 0.00 H new ATOM 0 HH22 ARG A 84 1.112 20.218 -10.495 1.00 0.00 H new TER 1311 ARG A 84