USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=18 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+ 166:sc= -0.0131 (180deg=-0.262) USER MOD Single : A 1 SER OG : rot -57:sc= 1.19 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0199 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -3.08! C(o=-3.1!,f=-4.5!) USER MOD Single : A 22 ASN : amide:sc= -2.95! C(o=-2.9!,f=-3.1!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0112 USER MOD Single : A 26 LYS NZ :NH3+ -159:sc= -0.0808 (180deg=-0.563) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -40:sc= 0.201 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -4.69! C(o=-4.7!,f=-5.3!) USER MOD Single : A 53 THR OG1 : rot 89:sc= 0.505 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0515 USER MOD Single : A 57 SER OG : rot 170:sc= -0.123 USER MOD Single : A 60 SER OG : rot 83:sc= 0.297 USER MOD Single : A 67 SER OG : rot 180:sc= -0.606 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -158:sc= -0.267 (180deg=-1.3!) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.251 16.759 -1.128 1.00 0.00 N ATOM 2 CA SER A 1 5.171 16.601 -0.115 1.00 0.00 C ATOM 3 C SER A 1 4.007 15.819 -0.729 1.00 0.00 C ATOM 4 O SER A 1 2.855 16.041 -0.416 1.00 0.00 O ATOM 5 CB SER A 1 4.680 17.980 0.326 1.00 0.00 C ATOM 6 OG SER A 1 3.592 17.826 1.227 1.00 0.00 O ATOM 0 H1 SER A 1 6.928 17.479 -0.804 1.00 0.00 H new ATOM 0 H2 SER A 1 6.744 15.852 -1.254 1.00 0.00 H new ATOM 0 H3 SER A 1 5.836 17.057 -2.034 1.00 0.00 H new ATOM 0 HA SER A 1 5.559 16.060 0.748 1.00 0.00 H new ATOM 0 HB2 SER A 1 5.489 18.530 0.806 1.00 0.00 H new ATOM 0 HB3 SER A 1 4.369 18.562 -0.541 1.00 0.00 H new ATOM 0 HG SER A 1 2.879 17.312 0.794 1.00 0.00 H new ATOM 14 N ASP A 2 4.313 14.907 -1.613 1.00 0.00 N ATOM 15 CA ASP A 2 3.249 14.102 -2.274 1.00 0.00 C ATOM 16 C ASP A 2 2.587 13.169 -1.255 1.00 0.00 C ATOM 17 O ASP A 2 3.157 12.187 -0.821 1.00 0.00 O ATOM 18 CB ASP A 2 3.877 13.284 -3.410 1.00 0.00 C ATOM 19 CG ASP A 2 2.876 12.248 -3.929 1.00 0.00 C ATOM 20 OD1 ASP A 2 2.037 12.616 -4.735 1.00 0.00 O ATOM 21 OD2 ASP A 2 2.967 11.104 -3.513 1.00 0.00 O ATOM 0 H ASP A 2 5.264 14.685 -1.907 1.00 0.00 H new ATOM 0 HA ASP A 2 2.486 14.766 -2.681 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.180 13.946 -4.221 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.778 12.784 -3.054 1.00 0.00 H new ATOM 26 N VAL A 3 1.384 13.495 -0.867 1.00 0.00 N ATOM 27 CA VAL A 3 0.648 12.672 0.132 1.00 0.00 C ATOM 28 C VAL A 3 0.310 11.290 -0.438 1.00 0.00 C ATOM 29 O VAL A 3 -0.125 10.417 0.290 1.00 0.00 O ATOM 30 CB VAL A 3 -0.670 13.406 0.510 1.00 0.00 C ATOM 31 CG1 VAL A 3 -0.435 14.917 0.486 1.00 0.00 C ATOM 32 CG2 VAL A 3 -1.811 13.065 -0.468 1.00 0.00 C ATOM 0 H VAL A 3 0.873 14.310 -1.206 1.00 0.00 H new ATOM 0 HA VAL A 3 1.278 12.537 1.011 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.961 13.077 1.508 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.358 15.433 0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.344 15.176 1.203 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.123 15.221 -0.513 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.715 13.596 -0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.528 13.366 -1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.998 11.991 -0.449 1.00 0.00 H new ATOM 42 N TYR A 4 0.439 11.070 -1.728 1.00 0.00 N ATOM 43 CA TYR A 4 0.032 9.733 -2.265 1.00 0.00 C ATOM 44 C TYR A 4 1.082 8.669 -1.912 1.00 0.00 C ATOM 45 O TYR A 4 0.764 7.618 -1.391 1.00 0.00 O ATOM 46 CB TYR A 4 -0.217 9.823 -3.776 1.00 0.00 C ATOM 47 CG TYR A 4 -1.651 10.214 -4.064 1.00 0.00 C ATOM 48 CD1 TYR A 4 -2.678 9.284 -3.866 1.00 0.00 C ATOM 49 CD2 TYR A 4 -1.950 11.491 -4.557 1.00 0.00 C ATOM 50 CE1 TYR A 4 -3.999 9.627 -4.158 1.00 0.00 C ATOM 51 CE2 TYR A 4 -3.274 11.836 -4.845 1.00 0.00 C ATOM 52 CZ TYR A 4 -4.300 10.904 -4.647 1.00 0.00 C ATOM 53 OH TYR A 4 -5.607 11.243 -4.936 1.00 0.00 O ATOM 0 H TYR A 4 0.797 11.736 -2.412 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.904 9.427 -1.797 1.00 0.00 H new ATOM 0 HB2 TYR A 4 0.460 10.555 -4.217 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.003 8.863 -4.243 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.448 8.299 -3.487 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.158 12.208 -4.714 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.790 8.907 -4.007 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -3.505 12.822 -5.220 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.641 12.166 -5.264 1.00 0.00 H new ATOM 63 N CYS A 5 2.332 8.939 -2.183 1.00 0.00 N ATOM 64 CA CYS A 5 3.396 7.945 -1.851 1.00 0.00 C ATOM 65 C CYS A 5 3.293 7.613 -0.356 1.00 0.00 C ATOM 66 O CYS A 5 3.429 6.474 0.045 1.00 0.00 O ATOM 67 CB CYS A 5 4.780 8.537 -2.136 1.00 0.00 C ATOM 68 SG CYS A 5 5.113 8.454 -3.901 1.00 0.00 S ATOM 0 H CYS A 5 2.662 9.801 -2.618 1.00 0.00 H new ATOM 0 HA CYS A 5 3.263 7.049 -2.457 1.00 0.00 H new ATOM 0 HB2 CYS A 5 4.822 9.571 -1.795 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.543 7.988 -1.584 1.00 0.00 H new ATOM 73 N GLU A 6 3.079 8.597 0.472 1.00 0.00 N ATOM 74 CA GLU A 6 2.996 8.337 1.936 1.00 0.00 C ATOM 75 C GLU A 6 1.918 7.296 2.244 1.00 0.00 C ATOM 76 O GLU A 6 2.115 6.425 3.069 1.00 0.00 O ATOM 77 CB GLU A 6 2.674 9.644 2.665 1.00 0.00 C ATOM 78 CG GLU A 6 2.465 9.366 4.155 1.00 0.00 C ATOM 79 CD GLU A 6 2.502 10.684 4.931 1.00 0.00 C ATOM 80 OE1 GLU A 6 1.876 11.630 4.484 1.00 0.00 O ATOM 81 OE2 GLU A 6 3.155 10.725 5.960 1.00 0.00 O ATOM 0 H GLU A 6 2.958 9.572 0.197 1.00 0.00 H new ATOM 0 HA GLU A 6 3.956 7.948 2.277 1.00 0.00 H new ATOM 0 HB2 GLU A 6 3.487 10.357 2.529 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.778 10.097 2.241 1.00 0.00 H new ATOM 0 HG2 GLU A 6 1.509 8.866 4.312 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.240 8.694 4.522 1.00 0.00 H new ATOM 88 N VAL A 7 0.771 7.377 1.627 1.00 0.00 N ATOM 89 CA VAL A 7 -0.295 6.384 1.951 1.00 0.00 C ATOM 90 C VAL A 7 0.026 4.999 1.364 1.00 0.00 C ATOM 91 O VAL A 7 -0.237 3.990 1.987 1.00 0.00 O ATOM 92 CB VAL A 7 -1.664 6.881 1.457 1.00 0.00 C ATOM 93 CG1 VAL A 7 -2.749 5.836 1.808 1.00 0.00 C ATOM 94 CG2 VAL A 7 -1.991 8.247 2.119 1.00 0.00 C ATOM 0 H VAL A 7 0.527 8.075 0.924 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.334 6.280 3.035 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.640 7.013 0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.720 6.188 1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.511 4.888 1.325 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.782 5.695 2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.961 8.598 1.768 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.018 8.129 3.202 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.224 8.974 1.852 1.00 0.00 H new ATOM 104 N CYS A 8 0.596 4.924 0.183 1.00 0.00 N ATOM 105 CA CYS A 8 0.923 3.586 -0.401 1.00 0.00 C ATOM 106 C CYS A 8 1.885 2.856 0.532 1.00 0.00 C ATOM 107 O CYS A 8 1.670 1.712 0.883 1.00 0.00 O ATOM 108 CB CYS A 8 1.544 3.779 -1.794 1.00 0.00 C ATOM 109 SG CYS A 8 3.316 4.111 -1.702 1.00 0.00 S ATOM 0 H CYS A 8 0.846 5.725 -0.396 1.00 0.00 H new ATOM 0 HA CYS A 8 0.019 2.986 -0.507 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.373 2.886 -2.395 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.046 4.605 -2.302 1.00 0.00 H new ATOM 114 N GLU A 9 2.937 3.499 0.943 1.00 0.00 N ATOM 115 CA GLU A 9 3.889 2.821 1.855 1.00 0.00 C ATOM 116 C GLU A 9 3.177 2.489 3.166 1.00 0.00 C ATOM 117 O GLU A 9 3.514 1.523 3.823 1.00 0.00 O ATOM 118 CB GLU A 9 5.073 3.749 2.158 1.00 0.00 C ATOM 119 CG GLU A 9 5.930 3.936 0.904 1.00 0.00 C ATOM 120 CD GLU A 9 6.605 2.611 0.539 1.00 0.00 C ATOM 121 OE1 GLU A 9 7.642 2.320 1.112 1.00 0.00 O ATOM 122 OE2 GLU A 9 6.074 1.911 -0.307 1.00 0.00 O ATOM 0 H GLU A 9 3.177 4.457 0.689 1.00 0.00 H new ATOM 0 HA GLU A 9 4.252 1.909 1.380 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.708 4.715 2.506 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.678 3.329 2.962 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.310 4.280 0.076 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.684 4.704 1.078 1.00 0.00 H new ATOM 129 N PHE A 10 2.193 3.257 3.566 1.00 0.00 N ATOM 130 CA PHE A 10 1.498 2.920 4.840 1.00 0.00 C ATOM 131 C PHE A 10 0.665 1.639 4.665 1.00 0.00 C ATOM 132 O PHE A 10 0.732 0.738 5.478 1.00 0.00 O ATOM 133 CB PHE A 10 0.582 4.066 5.271 1.00 0.00 C ATOM 134 CG PHE A 10 -0.038 3.702 6.597 1.00 0.00 C ATOM 135 CD1 PHE A 10 0.723 3.789 7.769 1.00 0.00 C ATOM 136 CD2 PHE A 10 -1.363 3.254 6.654 1.00 0.00 C ATOM 137 CE1 PHE A 10 0.159 3.433 8.999 1.00 0.00 C ATOM 138 CE2 PHE A 10 -1.928 2.894 7.885 1.00 0.00 C ATOM 139 CZ PHE A 10 -1.166 2.985 9.056 1.00 0.00 C ATOM 0 H PHE A 10 1.849 4.083 3.077 1.00 0.00 H new ATOM 0 HA PHE A 10 2.253 2.760 5.610 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.149 4.993 5.358 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.193 4.235 4.523 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.746 4.131 7.724 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.950 3.186 5.750 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.745 3.504 9.903 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.950 2.547 7.930 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.601 2.709 10.005 1.00 0.00 H new ATOM 149 N LEU A 11 -0.107 1.533 3.608 1.00 0.00 N ATOM 150 CA LEU A 11 -0.916 0.289 3.403 1.00 0.00 C ATOM 151 C LEU A 11 0.027 -0.904 3.256 1.00 0.00 C ATOM 152 O LEU A 11 -0.203 -1.951 3.826 1.00 0.00 O ATOM 153 CB LEU A 11 -1.776 0.393 2.130 1.00 0.00 C ATOM 154 CG LEU A 11 -2.712 1.607 2.209 1.00 0.00 C ATOM 155 CD1 LEU A 11 -3.311 1.873 0.825 1.00 0.00 C ATOM 156 CD2 LEU A 11 -3.849 1.342 3.207 1.00 0.00 C ATOM 0 H LEU A 11 -0.211 2.246 2.886 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.572 0.161 4.264 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.132 0.480 1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.362 -0.518 2.005 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.140 2.473 2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.977 2.735 0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.510 2.075 0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.874 0.999 0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.504 2.212 3.252 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.422 0.473 2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.429 1.153 4.195 1.00 0.00 H new ATOM 168 N VAL A 12 1.083 -0.774 2.499 1.00 0.00 N ATOM 169 CA VAL A 12 2.016 -1.919 2.332 1.00 0.00 C ATOM 170 C VAL A 12 2.559 -2.339 3.708 1.00 0.00 C ATOM 171 O VAL A 12 2.565 -3.502 4.052 1.00 0.00 O ATOM 172 CB VAL A 12 3.169 -1.473 1.414 1.00 0.00 C ATOM 173 CG1 VAL A 12 4.378 -2.400 1.568 1.00 0.00 C ATOM 174 CG2 VAL A 12 2.699 -1.508 -0.044 1.00 0.00 C ATOM 0 H VAL A 12 1.337 0.074 1.992 1.00 0.00 H new ATOM 0 HA VAL A 12 1.502 -2.771 1.887 1.00 0.00 H new ATOM 0 HB VAL A 12 3.462 -0.461 1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.180 -2.065 0.910 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.724 -2.378 2.601 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.092 -3.418 1.303 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.513 -1.193 -0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.397 -2.522 -0.305 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.852 -0.834 -0.169 1.00 0.00 H new ATOM 184 N LYS A 13 3.006 -1.393 4.499 1.00 0.00 N ATOM 185 CA LYS A 13 3.548 -1.729 5.853 1.00 0.00 C ATOM 186 C LYS A 13 2.474 -2.459 6.665 1.00 0.00 C ATOM 187 O LYS A 13 2.743 -3.431 7.344 1.00 0.00 O ATOM 188 CB LYS A 13 3.953 -0.431 6.564 1.00 0.00 C ATOM 189 CG LYS A 13 4.238 -0.704 8.047 1.00 0.00 C ATOM 190 CD LYS A 13 4.935 0.511 8.677 1.00 0.00 C ATOM 191 CE LYS A 13 6.351 0.692 8.097 1.00 0.00 C ATOM 192 NZ LYS A 13 7.233 1.289 9.138 1.00 0.00 N ATOM 0 H LYS A 13 3.019 -0.400 4.264 1.00 0.00 H new ATOM 0 HA LYS A 13 4.420 -2.376 5.756 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.838 -0.008 6.088 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.157 0.307 6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.306 -0.913 8.573 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.867 -1.588 8.149 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.345 1.409 8.495 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.994 0.382 9.758 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.750 -0.269 7.773 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.318 1.336 7.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.191 1.414 8.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.853 2.213 9.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.272 0.658 9.964 1.00 0.00 H new ATOM 206 N GLU A 14 1.264 -1.983 6.612 1.00 0.00 N ATOM 207 CA GLU A 14 0.171 -2.628 7.393 1.00 0.00 C ATOM 208 C GLU A 14 -0.180 -3.973 6.771 1.00 0.00 C ATOM 209 O GLU A 14 -0.491 -4.919 7.466 1.00 0.00 O ATOM 210 CB GLU A 14 -1.071 -1.729 7.390 1.00 0.00 C ATOM 211 CG GLU A 14 -0.885 -0.562 8.366 1.00 0.00 C ATOM 212 CD GLU A 14 -2.234 0.124 8.593 1.00 0.00 C ATOM 213 OE1 GLU A 14 -2.997 0.211 7.645 1.00 0.00 O ATOM 214 OE2 GLU A 14 -2.481 0.546 9.710 1.00 0.00 O ATOM 0 H GLU A 14 0.982 -1.173 6.060 1.00 0.00 H new ATOM 0 HA GLU A 14 0.508 -2.777 8.419 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.249 -1.347 6.385 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.950 -2.310 7.670 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.484 -0.924 9.313 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.164 0.151 7.966 1.00 0.00 H new ATOM 221 N VAL A 15 -0.155 -4.078 5.477 1.00 0.00 N ATOM 222 CA VAL A 15 -0.518 -5.374 4.857 1.00 0.00 C ATOM 223 C VAL A 15 0.542 -6.436 5.179 1.00 0.00 C ATOM 224 O VAL A 15 0.213 -7.564 5.467 1.00 0.00 O ATOM 225 CB VAL A 15 -0.676 -5.211 3.334 1.00 0.00 C ATOM 226 CG1 VAL A 15 -0.618 -6.582 2.647 1.00 0.00 C ATOM 227 CG2 VAL A 15 -2.029 -4.558 3.031 1.00 0.00 C ATOM 0 H VAL A 15 0.098 -3.332 4.829 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.471 -5.704 5.270 1.00 0.00 H new ATOM 0 HB VAL A 15 0.134 -4.586 2.959 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.731 -6.455 1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.341 -7.054 2.858 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.423 -7.212 3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.144 -4.441 1.953 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.831 -5.188 3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.076 -3.579 3.509 1.00 0.00 H new ATOM 237 N THR A 16 1.808 -6.128 5.098 1.00 0.00 N ATOM 238 CA THR A 16 2.790 -7.212 5.370 1.00 0.00 C ATOM 239 C THR A 16 2.661 -7.696 6.809 1.00 0.00 C ATOM 240 O THR A 16 2.745 -8.879 7.069 1.00 0.00 O ATOM 241 CB THR A 16 4.236 -6.789 5.117 1.00 0.00 C ATOM 242 OG1 THR A 16 4.769 -6.201 6.294 1.00 0.00 O ATOM 243 CG2 THR A 16 4.335 -5.791 3.956 1.00 0.00 C ATOM 0 H THR A 16 2.193 -5.212 4.865 1.00 0.00 H new ATOM 0 HA THR A 16 2.554 -8.016 4.673 1.00 0.00 H new ATOM 0 HB THR A 16 4.807 -7.678 4.849 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.697 -5.931 6.133 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.378 -5.512 3.804 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.946 -6.250 3.047 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.752 -4.901 4.191 1.00 0.00 H new ATOM 251 N LYS A 17 2.445 -6.824 7.755 1.00 0.00 N ATOM 252 CA LYS A 17 2.310 -7.334 9.142 1.00 0.00 C ATOM 253 C LYS A 17 1.087 -8.249 9.159 1.00 0.00 C ATOM 254 O LYS A 17 1.023 -9.225 9.879 1.00 0.00 O ATOM 255 CB LYS A 17 2.123 -6.177 10.138 1.00 0.00 C ATOM 256 CG LYS A 17 1.512 -6.720 11.445 1.00 0.00 C ATOM 257 CD LYS A 17 1.830 -5.794 12.617 1.00 0.00 C ATOM 258 CE LYS A 17 1.308 -6.435 13.907 1.00 0.00 C ATOM 259 NZ LYS A 17 1.877 -5.720 15.085 1.00 0.00 N ATOM 0 H LYS A 17 2.359 -5.815 7.633 1.00 0.00 H new ATOM 0 HA LYS A 17 3.210 -7.872 9.441 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.082 -5.700 10.342 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.473 -5.415 9.709 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.432 -6.816 11.334 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.902 -7.717 11.647 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.905 -5.628 12.686 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.366 -4.819 12.465 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.219 -6.391 13.933 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.585 -7.489 13.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.522 -6.156 15.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.915 -5.784 15.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.591 -4.720 15.056 1.00 0.00 H new ATOM 273 N LEU A 18 0.118 -7.919 8.353 1.00 0.00 N ATOM 274 CA LEU A 18 -1.120 -8.733 8.279 1.00 0.00 C ATOM 275 C LEU A 18 -0.768 -10.049 7.569 1.00 0.00 C ATOM 276 O LEU A 18 -1.238 -11.109 7.929 1.00 0.00 O ATOM 277 CB LEU A 18 -2.198 -7.953 7.497 1.00 0.00 C ATOM 278 CG LEU A 18 -2.800 -6.722 8.282 1.00 0.00 C ATOM 279 CD1 LEU A 18 -4.309 -6.897 8.468 1.00 0.00 C ATOM 280 CD2 LEU A 18 -2.184 -6.514 9.678 1.00 0.00 C ATOM 0 H LEU A 18 0.134 -7.108 7.735 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.515 -8.946 9.272 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.767 -7.598 6.561 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.007 -8.635 7.236 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.565 -5.850 7.672 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.710 -6.041 9.011 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.790 -6.966 7.492 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.503 -7.808 9.034 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.648 -5.651 10.155 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.356 -7.401 10.287 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.112 -6.343 9.581 1.00 0.00 H new ATOM 292 N ILE A 19 0.093 -9.983 6.585 1.00 0.00 N ATOM 293 CA ILE A 19 0.528 -11.218 5.872 1.00 0.00 C ATOM 294 C ILE A 19 1.418 -11.997 6.834 1.00 0.00 C ATOM 295 O ILE A 19 1.449 -13.212 6.837 1.00 0.00 O ATOM 296 CB ILE A 19 1.323 -10.838 4.607 1.00 0.00 C ATOM 297 CG1 ILE A 19 0.373 -10.178 3.591 1.00 0.00 C ATOM 298 CG2 ILE A 19 1.945 -12.092 3.985 1.00 0.00 C ATOM 299 CD1 ILE A 19 1.155 -9.679 2.368 1.00 0.00 C ATOM 0 H ILE A 19 0.515 -9.119 6.244 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.330 -11.817 5.565 1.00 0.00 H new ATOM 0 HB ILE A 19 2.118 -10.142 4.875 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.387 -10.894 3.277 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.149 -9.344 4.061 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.505 -11.816 3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.617 -12.560 4.704 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.156 -12.794 3.716 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.467 -9.216 1.661 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.898 -8.947 2.685 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.656 -10.520 1.889 1.00 0.00 H new ATOM 311 N ASP A 20 2.147 -11.289 7.653 1.00 0.00 N ATOM 312 CA ASP A 20 3.050 -11.951 8.628 1.00 0.00 C ATOM 313 C ASP A 20 2.243 -12.530 9.791 1.00 0.00 C ATOM 314 O ASP A 20 2.698 -13.435 10.464 1.00 0.00 O ATOM 315 CB ASP A 20 4.046 -10.926 9.171 1.00 0.00 C ATOM 316 CG ASP A 20 4.774 -10.253 8.006 1.00 0.00 C ATOM 317 OD1 ASP A 20 5.088 -10.945 7.051 1.00 0.00 O ATOM 318 OD2 ASP A 20 5.006 -9.059 8.087 1.00 0.00 O ATOM 0 H ASP A 20 2.153 -10.270 7.686 1.00 0.00 H new ATOM 0 HA ASP A 20 3.581 -12.759 8.125 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.525 -10.178 9.768 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.765 -11.415 9.829 1.00 0.00 H new ATOM 323 N ASN A 21 1.053 -12.025 10.052 1.00 0.00 N ATOM 324 CA ASN A 21 0.257 -12.577 11.200 1.00 0.00 C ATOM 325 C ASN A 21 -0.591 -13.760 10.710 1.00 0.00 C ATOM 326 O ASN A 21 -1.302 -14.373 11.479 1.00 0.00 O ATOM 327 CB ASN A 21 -0.611 -11.490 11.837 1.00 0.00 C ATOM 328 CG ASN A 21 -1.372 -12.073 13.029 1.00 0.00 C ATOM 329 OD1 ASN A 21 -1.061 -13.152 13.494 1.00 0.00 O ATOM 330 ND2 ASN A 21 -2.361 -11.400 13.548 1.00 0.00 N ATOM 0 H ASN A 21 0.608 -11.270 9.530 1.00 0.00 H new ATOM 0 HA ASN A 21 0.939 -12.933 11.972 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.012 -10.657 12.163 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.313 -11.094 11.103 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.874 -11.779 14.344 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.622 -10.494 13.158 1.00 0.00 H new ATOM 337 N ASN A 22 -0.461 -14.125 9.454 1.00 0.00 N ATOM 338 CA ASN A 22 -1.189 -15.331 8.909 1.00 0.00 C ATOM 339 C ASN A 22 -2.666 -15.053 8.590 1.00 0.00 C ATOM 340 O ASN A 22 -3.515 -15.883 8.851 1.00 0.00 O ATOM 341 CB ASN A 22 -1.110 -16.492 9.922 1.00 0.00 C ATOM 342 CG ASN A 22 0.250 -16.474 10.625 1.00 0.00 C ATOM 343 OD1 ASN A 22 0.339 -16.154 11.793 1.00 0.00 O ATOM 344 ND2 ASN A 22 1.321 -16.806 9.955 1.00 0.00 N ATOM 0 H ASN A 22 0.122 -13.638 8.774 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.694 -15.593 7.974 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.911 -16.402 10.656 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.253 -17.444 9.410 1.00 0.00 H new ATOM 0 HD21 ASN A 22 2.232 -16.797 10.413 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.246 -17.075 8.974 1.00 0.00 H new ATOM 351 N LYS A 23 -2.996 -13.925 8.026 1.00 0.00 N ATOM 352 CA LYS A 23 -4.434 -13.649 7.695 1.00 0.00 C ATOM 353 C LYS A 23 -4.677 -14.020 6.221 1.00 0.00 C ATOM 354 O LYS A 23 -3.783 -13.969 5.401 1.00 0.00 O ATOM 355 CB LYS A 23 -4.724 -12.168 7.918 1.00 0.00 C ATOM 356 CG LYS A 23 -4.084 -11.662 9.252 1.00 0.00 C ATOM 357 CD LYS A 23 -5.140 -10.998 10.159 1.00 0.00 C ATOM 358 CE LYS A 23 -4.545 -10.754 11.546 1.00 0.00 C ATOM 359 NZ LYS A 23 -5.616 -10.275 12.466 1.00 0.00 N ATOM 0 H LYS A 23 -2.342 -13.183 7.779 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.093 -14.238 8.333 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.334 -11.588 7.081 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.801 -12.005 7.944 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.623 -12.498 9.778 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.290 -10.948 9.030 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.468 -10.055 9.722 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.020 -11.636 10.237 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.103 -11.673 11.931 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.745 -10.016 11.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.214 -10.108 13.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.018 -9.389 12.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.365 -10.994 12.531 1.00 0.00 H new ATOM 373 N THR A 24 -5.895 -14.390 5.886 1.00 0.00 N ATOM 374 CA THR A 24 -6.213 -14.762 4.473 1.00 0.00 C ATOM 375 C THR A 24 -6.447 -13.513 3.621 1.00 0.00 C ATOM 376 O THR A 24 -6.687 -12.441 4.134 1.00 0.00 O ATOM 377 CB THR A 24 -7.489 -15.613 4.423 1.00 0.00 C ATOM 378 OG1 THR A 24 -8.623 -14.756 4.370 1.00 0.00 O ATOM 379 CG2 THR A 24 -7.583 -16.498 5.658 1.00 0.00 C ATOM 0 H THR A 24 -6.680 -14.449 6.534 1.00 0.00 H new ATOM 0 HA THR A 24 -5.364 -15.323 4.082 1.00 0.00 H new ATOM 0 HB THR A 24 -7.459 -16.246 3.536 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.440 -15.296 4.336 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.493 -17.096 5.609 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.717 -17.158 5.699 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.607 -15.874 6.552 1.00 0.00 H new ATOM 387 N GLU A 25 -6.420 -13.659 2.327 1.00 0.00 N ATOM 388 CA GLU A 25 -6.679 -12.486 1.440 1.00 0.00 C ATOM 389 C GLU A 25 -8.064 -11.915 1.788 1.00 0.00 C ATOM 390 O GLU A 25 -8.244 -10.719 1.899 1.00 0.00 O ATOM 391 CB GLU A 25 -6.636 -12.927 -0.026 1.00 0.00 C ATOM 392 CG GLU A 25 -6.474 -11.702 -0.928 1.00 0.00 C ATOM 393 CD GLU A 25 -6.793 -12.087 -2.373 1.00 0.00 C ATOM 394 OE1 GLU A 25 -7.817 -12.714 -2.586 1.00 0.00 O ATOM 395 OE2 GLU A 25 -6.006 -11.748 -3.243 1.00 0.00 O ATOM 0 H GLU A 25 -6.230 -14.537 1.843 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.917 -11.721 1.589 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.809 -13.619 -0.184 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.551 -13.461 -0.282 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.139 -10.904 -0.598 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.456 -11.318 -0.859 1.00 0.00 H new ATOM 402 N LYS A 26 -9.044 -12.768 1.953 1.00 0.00 N ATOM 403 CA LYS A 26 -10.429 -12.298 2.283 1.00 0.00 C ATOM 404 C LYS A 26 -10.424 -11.409 3.538 1.00 0.00 C ATOM 405 O LYS A 26 -11.213 -10.492 3.658 1.00 0.00 O ATOM 406 CB LYS A 26 -11.346 -13.523 2.504 1.00 0.00 C ATOM 407 CG LYS A 26 -12.048 -13.908 1.192 1.00 0.00 C ATOM 408 CD LYS A 26 -13.021 -15.057 1.452 1.00 0.00 C ATOM 409 CE LYS A 26 -13.709 -15.447 0.143 1.00 0.00 C ATOM 410 NZ LYS A 26 -14.495 -14.289 -0.370 1.00 0.00 N ATOM 0 H LYS A 26 -8.945 -13.780 1.873 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.805 -11.703 1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.758 -14.365 2.870 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.089 -13.296 3.269 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.583 -13.049 0.788 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.310 -14.204 0.446 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.488 -15.913 1.864 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.764 -14.758 2.191 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.966 -15.751 -0.594 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.365 -16.302 0.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.225 -14.629 -1.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.949 -13.798 0.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.860 -13.631 -0.866 1.00 0.00 H new ATOM 424 N GLU A 27 -9.565 -11.677 4.474 1.00 0.00 N ATOM 425 CA GLU A 27 -9.538 -10.853 5.717 1.00 0.00 C ATOM 426 C GLU A 27 -8.857 -9.500 5.458 1.00 0.00 C ATOM 427 O GLU A 27 -9.252 -8.490 6.005 1.00 0.00 O ATOM 428 CB GLU A 27 -8.778 -11.611 6.806 1.00 0.00 C ATOM 429 CG GLU A 27 -9.662 -12.728 7.370 1.00 0.00 C ATOM 430 CD GLU A 27 -10.773 -12.118 8.227 1.00 0.00 C ATOM 431 OE1 GLU A 27 -10.513 -11.837 9.386 1.00 0.00 O ATOM 432 OE2 GLU A 27 -11.864 -11.942 7.711 1.00 0.00 O ATOM 0 H GLU A 27 -8.878 -12.430 4.437 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.563 -10.667 6.039 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.860 -12.032 6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.487 -10.927 7.603 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.094 -13.310 6.556 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.062 -13.414 7.968 1.00 0.00 H new ATOM 439 N ILE A 28 -7.845 -9.460 4.638 1.00 0.00 N ATOM 440 CA ILE A 28 -7.162 -8.159 4.368 1.00 0.00 C ATOM 441 C ILE A 28 -8.144 -7.221 3.676 1.00 0.00 C ATOM 442 O ILE A 28 -8.193 -6.040 3.962 1.00 0.00 O ATOM 443 CB ILE A 28 -5.936 -8.431 3.485 1.00 0.00 C ATOM 444 CG1 ILE A 28 -5.227 -9.701 4.034 1.00 0.00 C ATOM 445 CG2 ILE A 28 -5.005 -7.213 3.497 1.00 0.00 C ATOM 446 CD1 ILE A 28 -3.696 -9.624 3.948 1.00 0.00 C ATOM 0 H ILE A 28 -7.461 -10.266 4.144 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.832 -7.687 5.293 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.229 -8.602 2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.519 -9.852 5.073 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.572 -10.572 3.477 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.137 -7.412 2.869 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.539 -6.343 3.113 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.677 -7.016 4.518 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.263 -10.541 4.347 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.396 -9.504 2.907 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.341 -8.772 4.529 1.00 0.00 H new ATOM 458 N LEU A 29 -8.938 -7.730 2.782 1.00 0.00 N ATOM 459 CA LEU A 29 -9.926 -6.864 2.091 1.00 0.00 C ATOM 460 C LEU A 29 -11.056 -6.511 3.068 1.00 0.00 C ATOM 461 O LEU A 29 -11.678 -5.475 2.975 1.00 0.00 O ATOM 462 CB LEU A 29 -10.483 -7.620 0.885 1.00 0.00 C ATOM 463 CG LEU A 29 -9.318 -8.149 0.038 1.00 0.00 C ATOM 464 CD1 LEU A 29 -9.876 -8.955 -1.140 1.00 0.00 C ATOM 465 CD2 LEU A 29 -8.483 -6.971 -0.494 1.00 0.00 C ATOM 0 H LEU A 29 -8.946 -8.710 2.499 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.453 -5.943 1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.111 -8.447 1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -11.113 -6.961 0.287 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.683 -8.788 0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.052 -9.333 -1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.463 -9.792 -0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.511 -8.314 -1.752 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.657 -7.352 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.112 -6.327 -1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.087 -6.398 0.344 1.00 0.00 H new ATOM 477 N ASP A 30 -11.305 -7.368 4.019 1.00 0.00 N ATOM 478 CA ASP A 30 -12.366 -7.080 5.030 1.00 0.00 C ATOM 479 C ASP A 30 -11.890 -5.922 5.915 1.00 0.00 C ATOM 480 O ASP A 30 -12.638 -5.017 6.216 1.00 0.00 O ATOM 481 CB ASP A 30 -12.614 -8.323 5.888 1.00 0.00 C ATOM 482 CG ASP A 30 -13.771 -8.055 6.852 1.00 0.00 C ATOM 483 OD1 ASP A 30 -14.725 -7.415 6.439 1.00 0.00 O ATOM 484 OD2 ASP A 30 -13.686 -8.496 7.986 1.00 0.00 O ATOM 0 H ASP A 30 -10.820 -8.257 4.142 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.296 -6.810 4.531 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.847 -9.177 5.252 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.713 -8.578 6.446 1.00 0.00 H new ATOM 489 N ALA A 31 -10.661 -5.962 6.352 1.00 0.00 N ATOM 490 CA ALA A 31 -10.133 -4.881 7.243 1.00 0.00 C ATOM 491 C ALA A 31 -9.995 -3.559 6.471 1.00 0.00 C ATOM 492 O ALA A 31 -10.038 -2.495 7.054 1.00 0.00 O ATOM 493 CB ALA A 31 -8.764 -5.315 7.772 1.00 0.00 C ATOM 0 H ALA A 31 -9.993 -6.700 6.131 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.827 -4.721 8.069 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.363 -4.539 8.424 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.869 -6.243 8.334 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.084 -5.473 6.935 1.00 0.00 H new ATOM 499 N PHE A 32 -9.850 -3.601 5.179 1.00 0.00 N ATOM 500 CA PHE A 32 -9.734 -2.333 4.391 1.00 0.00 C ATOM 501 C PHE A 32 -10.892 -1.394 4.745 1.00 0.00 C ATOM 502 O PHE A 32 -10.929 -0.260 4.310 1.00 0.00 O ATOM 503 CB PHE A 32 -9.803 -2.706 2.900 1.00 0.00 C ATOM 504 CG PHE A 32 -8.434 -3.093 2.343 1.00 0.00 C ATOM 505 CD1 PHE A 32 -7.353 -3.457 3.179 1.00 0.00 C ATOM 506 CD2 PHE A 32 -8.248 -3.064 0.955 1.00 0.00 C ATOM 507 CE1 PHE A 32 -6.114 -3.780 2.617 1.00 0.00 C ATOM 508 CE2 PHE A 32 -7.005 -3.384 0.401 1.00 0.00 C ATOM 509 CZ PHE A 32 -5.939 -3.737 1.232 1.00 0.00 C ATOM 0 H PHE A 32 -9.806 -4.458 4.628 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.797 -1.824 4.617 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.497 -3.536 2.766 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.200 -1.864 2.334 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.484 -3.485 4.251 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.070 -2.793 0.309 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.290 -4.063 3.255 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.869 -3.358 -0.670 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.978 -3.977 0.803 1.00 0.00 H new ATOM 519 N ASP A 33 -11.851 -1.851 5.496 1.00 0.00 N ATOM 520 CA ASP A 33 -13.012 -0.973 5.827 1.00 0.00 C ATOM 521 C ASP A 33 -12.724 -0.134 7.071 1.00 0.00 C ATOM 522 O ASP A 33 -13.392 0.850 7.321 1.00 0.00 O ATOM 523 CB ASP A 33 -14.242 -1.843 6.085 1.00 0.00 C ATOM 524 CG ASP A 33 -13.904 -2.894 7.142 1.00 0.00 C ATOM 525 OD1 ASP A 33 -12.733 -3.033 7.453 1.00 0.00 O ATOM 526 OD2 ASP A 33 -14.820 -3.541 7.621 1.00 0.00 O ATOM 0 H ASP A 33 -11.885 -2.789 5.895 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.190 -0.302 4.987 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -15.074 -1.225 6.423 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.559 -2.328 5.162 1.00 0.00 H new ATOM 531 N LYS A 34 -11.721 -0.487 7.842 1.00 0.00 N ATOM 532 CA LYS A 34 -11.374 0.321 9.055 1.00 0.00 C ATOM 533 C LYS A 34 -9.859 0.593 9.061 1.00 0.00 C ATOM 534 O LYS A 34 -9.309 1.041 10.047 1.00 0.00 O ATOM 535 CB LYS A 34 -11.785 -0.433 10.336 1.00 0.00 C ATOM 536 CG LYS A 34 -11.655 -1.954 10.128 1.00 0.00 C ATOM 537 CD LYS A 34 -11.468 -2.664 11.483 1.00 0.00 C ATOM 538 CE LYS A 34 -9.986 -2.670 11.874 1.00 0.00 C ATOM 539 NZ LYS A 34 -9.813 -3.417 13.151 1.00 0.00 N ATOM 0 H LYS A 34 -11.127 -1.301 7.683 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.914 1.267 9.027 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.156 -0.118 11.169 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.812 -0.182 10.600 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.545 -2.337 9.629 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.807 -2.168 9.477 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.053 -2.158 12.251 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.840 -3.687 11.421 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.393 -3.133 11.086 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.624 -1.648 11.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.808 -3.422 13.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.367 -2.956 13.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.143 -4.396 13.028 1.00 0.00 H new ATOM 553 N MET A 35 -9.176 0.327 7.970 1.00 0.00 N ATOM 554 CA MET A 35 -7.699 0.577 7.932 1.00 0.00 C ATOM 555 C MET A 35 -7.443 2.065 7.633 1.00 0.00 C ATOM 556 O MET A 35 -6.634 2.683 8.296 1.00 0.00 O ATOM 557 CB MET A 35 -7.048 -0.329 6.858 1.00 0.00 C ATOM 558 CG MET A 35 -5.844 -1.084 7.432 1.00 0.00 C ATOM 559 SD MET A 35 -4.848 -1.753 6.070 1.00 0.00 S ATOM 560 CE MET A 35 -5.205 -3.511 6.328 1.00 0.00 C ATOM 0 H MET A 35 -9.575 -0.050 7.110 1.00 0.00 H new ATOM 0 HA MET A 35 -7.253 0.337 8.897 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.783 -1.041 6.484 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.731 0.277 6.010 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.240 -0.415 8.045 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.183 -1.892 8.081 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.678 -4.103 5.580 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.875 -3.807 7.324 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.278 -3.682 6.236 1.00 0.00 H new ATOM 570 N CYS A 36 -8.105 2.670 6.671 1.00 0.00 N ATOM 571 CA CYS A 36 -7.816 4.112 6.445 1.00 0.00 C ATOM 572 C CYS A 36 -8.228 4.838 7.723 1.00 0.00 C ATOM 573 O CYS A 36 -8.041 6.031 7.859 1.00 0.00 O ATOM 574 CB CYS A 36 -8.587 4.666 5.238 1.00 0.00 C ATOM 575 SG CYS A 36 -8.118 3.777 3.723 1.00 0.00 S ATOM 0 H CYS A 36 -8.802 2.245 6.060 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.759 4.257 6.223 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -9.659 4.568 5.407 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -8.378 5.730 5.122 1.00 0.00 H new ATOM 580 N SER A 37 -8.801 4.131 8.658 1.00 0.00 N ATOM 581 CA SER A 37 -9.240 4.799 9.925 1.00 0.00 C ATOM 582 C SER A 37 -8.051 4.995 10.877 1.00 0.00 C ATOM 583 O SER A 37 -8.199 5.578 11.932 1.00 0.00 O ATOM 584 CB SER A 37 -10.299 3.942 10.616 1.00 0.00 C ATOM 585 OG SER A 37 -10.961 4.721 11.603 1.00 0.00 O ATOM 0 H SER A 37 -8.985 3.129 8.605 1.00 0.00 H new ATOM 0 HA SER A 37 -9.655 5.775 9.674 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.018 3.572 9.885 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.835 3.070 11.076 1.00 0.00 H new ATOM 0 HG SER A 37 -10.307 5.282 12.070 1.00 0.00 H new ATOM 591 N LYS A 38 -6.881 4.515 10.533 1.00 0.00 N ATOM 592 CA LYS A 38 -5.701 4.682 11.447 1.00 0.00 C ATOM 593 C LYS A 38 -4.846 5.881 11.001 1.00 0.00 C ATOM 594 O LYS A 38 -3.695 6.000 11.371 1.00 0.00 O ATOM 595 CB LYS A 38 -4.859 3.397 11.437 1.00 0.00 C ATOM 596 CG LYS A 38 -5.539 2.333 12.303 1.00 0.00 C ATOM 597 CD LYS A 38 -4.716 1.043 12.270 1.00 0.00 C ATOM 598 CE LYS A 38 -5.526 -0.095 12.897 1.00 0.00 C ATOM 599 NZ LYS A 38 -4.720 -1.348 12.878 1.00 0.00 N ATOM 0 H LYS A 38 -6.689 4.017 9.664 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.057 4.870 12.460 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.746 3.032 10.416 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.858 3.603 11.815 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.634 2.690 13.329 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.548 2.142 11.938 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.453 0.793 11.242 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.781 1.181 12.814 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.798 0.160 13.921 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.456 -0.240 12.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.270 -2.121 13.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.482 -1.593 11.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.845 -1.206 13.421 1.00 0.00 H new ATOM 613 N LEU A 39 -5.408 6.774 10.217 1.00 0.00 N ATOM 614 CA LEU A 39 -4.648 7.985 9.743 1.00 0.00 C ATOM 615 C LEU A 39 -5.468 9.246 10.088 1.00 0.00 C ATOM 616 O LEU A 39 -6.679 9.201 10.010 1.00 0.00 O ATOM 617 CB LEU A 39 -4.500 7.913 8.218 1.00 0.00 C ATOM 618 CG LEU A 39 -3.787 6.623 7.804 1.00 0.00 C ATOM 619 CD1 LEU A 39 -3.775 6.532 6.279 1.00 0.00 C ATOM 620 CD2 LEU A 39 -2.338 6.625 8.321 1.00 0.00 C ATOM 0 H LEU A 39 -6.369 6.717 9.881 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.668 8.020 10.219 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.483 7.957 7.750 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.938 8.776 7.861 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.314 5.769 8.230 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.269 5.616 5.973 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.800 6.522 5.907 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.248 7.393 5.867 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.843 5.702 8.019 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.803 7.477 7.902 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.340 6.697 9.409 1.00 0.00 H new ATOM 632 N PRO A 40 -4.819 10.348 10.442 1.00 0.00 N ATOM 633 CA PRO A 40 -5.557 11.581 10.760 1.00 0.00 C ATOM 634 C PRO A 40 -6.652 11.832 9.704 1.00 0.00 C ATOM 635 O PRO A 40 -6.590 11.308 8.610 1.00 0.00 O ATOM 636 CB PRO A 40 -4.477 12.690 10.793 1.00 0.00 C ATOM 637 CG PRO A 40 -3.093 11.979 10.778 1.00 0.00 C ATOM 638 CD PRO A 40 -3.348 10.472 10.564 1.00 0.00 C ATOM 0 HA PRO A 40 -6.086 11.536 11.712 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.579 13.353 9.934 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.584 13.306 11.686 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.465 12.379 9.981 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.564 12.149 11.716 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.845 10.110 9.667 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.970 9.885 11.401 1.00 0.00 H new ATOM 646 N LYS A 41 -7.660 12.604 10.016 1.00 0.00 N ATOM 647 CA LYS A 41 -8.745 12.845 9.018 1.00 0.00 C ATOM 648 C LYS A 41 -8.212 13.564 7.779 1.00 0.00 C ATOM 649 O LYS A 41 -8.864 13.603 6.755 1.00 0.00 O ATOM 650 CB LYS A 41 -9.856 13.684 9.653 1.00 0.00 C ATOM 651 CG LYS A 41 -11.055 13.841 8.676 1.00 0.00 C ATOM 652 CD LYS A 41 -11.016 15.217 7.989 1.00 0.00 C ATOM 653 CE LYS A 41 -11.934 15.207 6.763 1.00 0.00 C ATOM 654 NZ LYS A 41 -12.048 16.588 6.213 1.00 0.00 N ATOM 0 H LYS A 41 -7.779 13.076 10.913 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.139 11.877 8.710 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.192 13.212 10.576 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.468 14.667 9.921 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.025 13.052 7.924 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.992 13.727 9.220 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.333 15.992 8.687 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.996 15.456 7.690 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.536 14.534 6.004 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.920 14.831 7.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.672 16.580 5.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.446 17.219 6.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.106 16.930 5.936 1.00 0.00 H new ATOM 668 N SER A 42 -7.082 14.205 7.873 1.00 0.00 N ATOM 669 CA SER A 42 -6.593 14.992 6.706 1.00 0.00 C ATOM 670 C SER A 42 -6.136 14.115 5.536 1.00 0.00 C ATOM 671 O SER A 42 -5.947 14.590 4.434 1.00 0.00 O ATOM 672 CB SER A 42 -5.474 15.940 7.137 1.00 0.00 C ATOM 673 OG SER A 42 -5.964 16.822 8.137 1.00 0.00 O ATOM 0 H SER A 42 -6.481 14.219 8.697 1.00 0.00 H new ATOM 0 HA SER A 42 -7.441 15.572 6.342 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.628 15.371 7.521 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.113 16.508 6.280 1.00 0.00 H new ATOM 0 HG SER A 42 -5.248 17.430 8.416 1.00 0.00 H new ATOM 679 N LEU A 43 -5.979 12.831 5.766 1.00 0.00 N ATOM 680 CA LEU A 43 -5.558 11.897 4.663 1.00 0.00 C ATOM 681 C LEU A 43 -6.692 10.914 4.374 1.00 0.00 C ATOM 682 O LEU A 43 -6.563 10.062 3.518 1.00 0.00 O ATOM 683 CB LEU A 43 -4.325 11.083 5.074 1.00 0.00 C ATOM 684 CG LEU A 43 -3.208 11.996 5.579 1.00 0.00 C ATOM 685 CD1 LEU A 43 -1.928 11.187 5.796 1.00 0.00 C ATOM 686 CD2 LEU A 43 -2.943 13.116 4.565 1.00 0.00 C ATOM 0 H LEU A 43 -6.124 12.386 6.672 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.322 12.497 3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.598 10.372 5.853 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.968 10.503 4.223 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.519 12.437 6.526 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.138 11.846 6.156 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.112 10.405 6.533 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.621 10.733 4.854 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.146 13.760 4.935 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.645 12.680 3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.850 13.704 4.427 1.00 0.00 H new ATOM 698 N SER A 44 -7.787 11.006 5.096 1.00 0.00 N ATOM 699 CA SER A 44 -8.934 10.057 4.884 1.00 0.00 C ATOM 700 C SER A 44 -9.073 9.718 3.395 1.00 0.00 C ATOM 701 O SER A 44 -8.913 8.596 2.958 1.00 0.00 O ATOM 702 CB SER A 44 -10.227 10.699 5.384 1.00 0.00 C ATOM 703 OG SER A 44 -11.338 9.933 4.933 1.00 0.00 O ATOM 0 H SER A 44 -7.937 11.701 5.827 1.00 0.00 H new ATOM 0 HA SER A 44 -8.741 9.139 5.440 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.224 10.750 6.473 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.304 11.723 5.017 1.00 0.00 H new ATOM 0 HG SER A 44 -12.169 10.342 5.254 1.00 0.00 H new ATOM 709 N GLU A 45 -9.533 10.701 2.670 1.00 0.00 N ATOM 710 CA GLU A 45 -9.910 10.572 1.233 1.00 0.00 C ATOM 711 C GLU A 45 -8.895 9.967 0.274 1.00 0.00 C ATOM 712 O GLU A 45 -9.190 9.039 -0.453 1.00 0.00 O ATOM 713 CB GLU A 45 -10.213 11.981 0.717 1.00 0.00 C ATOM 714 CG GLU A 45 -11.372 12.587 1.512 1.00 0.00 C ATOM 715 CD GLU A 45 -12.669 11.852 1.164 1.00 0.00 C ATOM 716 OE1 GLU A 45 -12.977 11.761 -0.012 1.00 0.00 O ATOM 717 OE2 GLU A 45 -13.330 11.393 2.081 1.00 0.00 O ATOM 0 H GLU A 45 -9.670 11.642 3.040 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.743 9.869 1.237 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.328 12.610 0.810 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.467 11.943 -0.342 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.173 12.510 2.581 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.470 13.648 1.282 1.00 0.00 H new ATOM 724 N GLU A 46 -7.703 10.468 0.272 1.00 0.00 N ATOM 725 CA GLU A 46 -6.679 9.903 -0.635 1.00 0.00 C ATOM 726 C GLU A 46 -6.530 8.403 -0.343 1.00 0.00 C ATOM 727 O GLU A 46 -6.183 7.632 -1.207 1.00 0.00 O ATOM 728 CB GLU A 46 -5.352 10.680 -0.435 1.00 0.00 C ATOM 729 CG GLU A 46 -4.379 9.928 0.488 1.00 0.00 C ATOM 730 CD GLU A 46 -3.722 8.789 -0.294 1.00 0.00 C ATOM 731 OE1 GLU A 46 -3.095 9.075 -1.295 1.00 0.00 O ATOM 732 OE2 GLU A 46 -3.873 7.654 0.112 1.00 0.00 O ATOM 0 H GLU A 46 -7.391 11.243 0.857 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.971 10.009 -1.680 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.879 10.845 -1.403 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.567 11.662 -0.013 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.619 10.610 0.868 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.912 9.532 1.352 1.00 0.00 H new ATOM 739 N CYS A 47 -6.810 7.983 0.858 1.00 0.00 N ATOM 740 CA CYS A 47 -6.694 6.528 1.166 1.00 0.00 C ATOM 741 C CYS A 47 -7.853 5.807 0.479 1.00 0.00 C ATOM 742 O CYS A 47 -7.674 4.769 -0.126 1.00 0.00 O ATOM 743 CB CYS A 47 -6.748 6.312 2.688 1.00 0.00 C ATOM 744 SG CYS A 47 -6.363 4.589 3.108 1.00 0.00 S ATOM 0 H CYS A 47 -7.111 8.574 1.633 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.745 6.133 0.803 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -6.039 6.978 3.180 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.739 6.569 3.062 1.00 0.00 H new ATOM 749 N GLN A 48 -9.036 6.337 0.564 1.00 0.00 N ATOM 750 CA GLN A 48 -10.186 5.659 -0.089 1.00 0.00 C ATOM 751 C GLN A 48 -9.875 5.444 -1.577 1.00 0.00 C ATOM 752 O GLN A 48 -10.144 4.397 -2.131 1.00 0.00 O ATOM 753 CB GLN A 48 -11.451 6.524 0.081 1.00 0.00 C ATOM 754 CG GLN A 48 -12.702 5.637 0.130 1.00 0.00 C ATOM 755 CD GLN A 48 -12.800 4.808 -1.150 1.00 0.00 C ATOM 756 OE1 GLN A 48 -13.204 3.662 -1.116 1.00 0.00 O ATOM 757 NE2 GLN A 48 -12.450 5.342 -2.289 1.00 0.00 N ATOM 0 H GLN A 48 -9.257 7.204 1.053 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.359 4.688 0.375 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -11.378 7.111 0.996 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -11.530 7.230 -0.745 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -12.658 4.979 0.998 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -13.593 6.255 0.243 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -12.111 6.304 -2.319 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -12.516 4.798 -3.149 1.00 0.00 H new ATOM 766 N GLU A 49 -9.326 6.436 -2.233 1.00 0.00 N ATOM 767 CA GLU A 49 -9.018 6.298 -3.687 1.00 0.00 C ATOM 768 C GLU A 49 -7.898 5.274 -3.908 1.00 0.00 C ATOM 769 O GLU A 49 -7.970 4.468 -4.814 1.00 0.00 O ATOM 770 CB GLU A 49 -8.582 7.662 -4.244 1.00 0.00 C ATOM 771 CG GLU A 49 -9.812 8.546 -4.480 1.00 0.00 C ATOM 772 CD GLU A 49 -10.652 8.612 -3.203 1.00 0.00 C ATOM 773 OE1 GLU A 49 -11.507 7.758 -3.036 1.00 0.00 O ATOM 774 OE2 GLU A 49 -10.427 9.516 -2.416 1.00 0.00 O ATOM 0 H GLU A 49 -9.078 7.336 -1.822 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.913 5.952 -4.205 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.902 8.149 -3.546 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.037 7.526 -5.178 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.500 9.548 -4.774 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.409 8.144 -5.299 1.00 0.00 H new ATOM 781 N VAL A 50 -6.861 5.285 -3.112 1.00 0.00 N ATOM 782 CA VAL A 50 -5.777 4.290 -3.341 1.00 0.00 C ATOM 783 C VAL A 50 -6.299 2.903 -3.005 1.00 0.00 C ATOM 784 O VAL A 50 -6.127 1.966 -3.759 1.00 0.00 O ATOM 785 CB VAL A 50 -4.548 4.584 -2.468 1.00 0.00 C ATOM 786 CG1 VAL A 50 -3.422 3.613 -2.836 1.00 0.00 C ATOM 787 CG2 VAL A 50 -4.070 6.029 -2.694 1.00 0.00 C ATOM 0 H VAL A 50 -6.720 5.925 -2.331 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.476 4.349 -4.387 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.818 4.459 -1.419 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.548 3.819 -2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.754 2.589 -2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.162 3.739 -3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.198 6.226 -2.070 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.804 6.164 -3.742 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.869 6.722 -2.430 1.00 0.00 H new ATOM 797 N VAL A 51 -6.912 2.749 -1.866 1.00 0.00 N ATOM 798 CA VAL A 51 -7.409 1.408 -1.478 1.00 0.00 C ATOM 799 C VAL A 51 -8.427 0.920 -2.515 1.00 0.00 C ATOM 800 O VAL A 51 -8.353 -0.185 -3.013 1.00 0.00 O ATOM 801 CB VAL A 51 -7.984 1.477 -0.060 1.00 0.00 C ATOM 802 CG1 VAL A 51 -8.499 0.113 0.368 1.00 0.00 C ATOM 803 CG2 VAL A 51 -6.883 1.916 0.909 1.00 0.00 C ATOM 0 H VAL A 51 -7.088 3.493 -1.191 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.598 0.680 -1.464 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.807 2.192 -0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.905 0.178 1.378 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.282 -0.212 -0.317 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.681 -0.607 0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.287 1.967 1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.065 1.196 0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.512 2.898 0.617 1.00 0.00 H new ATOM 813 N ASP A 52 -9.410 1.735 -2.797 1.00 0.00 N ATOM 814 CA ASP A 52 -10.492 1.343 -3.748 1.00 0.00 C ATOM 815 C ASP A 52 -9.960 1.110 -5.162 1.00 0.00 C ATOM 816 O ASP A 52 -10.362 0.184 -5.840 1.00 0.00 O ATOM 817 CB ASP A 52 -11.541 2.458 -3.789 1.00 0.00 C ATOM 818 CG ASP A 52 -12.702 2.032 -4.689 1.00 0.00 C ATOM 819 OD1 ASP A 52 -12.509 1.994 -5.893 1.00 0.00 O ATOM 820 OD2 ASP A 52 -13.765 1.752 -4.159 1.00 0.00 O ATOM 0 H ASP A 52 -9.510 2.670 -2.402 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.925 0.407 -3.396 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.904 2.667 -2.783 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.094 3.379 -4.165 1.00 0.00 H new ATOM 825 N THR A 53 -9.082 1.955 -5.627 1.00 0.00 N ATOM 826 CA THR A 53 -8.553 1.798 -7.009 1.00 0.00 C ATOM 827 C THR A 53 -7.379 0.826 -7.044 1.00 0.00 C ATOM 828 O THR A 53 -7.264 0.038 -7.960 1.00 0.00 O ATOM 829 CB THR A 53 -8.085 3.164 -7.520 1.00 0.00 C ATOM 830 OG1 THR A 53 -9.137 4.108 -7.371 1.00 0.00 O ATOM 831 CG2 THR A 53 -7.697 3.058 -8.996 1.00 0.00 C ATOM 0 H THR A 53 -8.708 2.749 -5.107 1.00 0.00 H new ATOM 0 HA THR A 53 -9.348 1.401 -7.640 1.00 0.00 H new ATOM 0 HB THR A 53 -7.218 3.489 -6.944 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.083 4.520 -6.484 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.365 4.032 -9.356 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.890 2.335 -9.109 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.560 2.732 -9.577 1.00 0.00 H new ATOM 839 N TYR A 54 -6.487 0.889 -6.086 1.00 0.00 N ATOM 840 CA TYR A 54 -5.297 -0.022 -6.112 1.00 0.00 C ATOM 841 C TYR A 54 -5.340 -1.075 -5.000 1.00 0.00 C ATOM 842 O TYR A 54 -4.329 -1.474 -4.464 1.00 0.00 O ATOM 843 CB TYR A 54 -4.033 0.814 -5.972 1.00 0.00 C ATOM 844 CG TYR A 54 -3.894 1.712 -7.182 1.00 0.00 C ATOM 845 CD1 TYR A 54 -3.512 1.179 -8.418 1.00 0.00 C ATOM 846 CD2 TYR A 54 -4.163 3.077 -7.067 1.00 0.00 C ATOM 847 CE1 TYR A 54 -3.395 2.018 -9.535 1.00 0.00 C ATOM 848 CE2 TYR A 54 -4.051 3.916 -8.174 1.00 0.00 C ATOM 849 CZ TYR A 54 -3.666 3.387 -9.413 1.00 0.00 C ATOM 850 OH TYR A 54 -3.554 4.215 -10.512 1.00 0.00 O ATOM 0 H TYR A 54 -6.529 1.527 -5.291 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.307 -0.556 -7.062 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.078 1.413 -5.063 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.162 0.165 -5.884 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.308 0.123 -8.511 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -4.460 3.486 -6.113 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -3.096 1.609 -10.489 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.260 4.971 -8.077 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.778 5.133 -10.254 1.00 0.00 H new ATOM 860 N GLY A 55 -6.518 -1.492 -4.618 1.00 0.00 N ATOM 861 CA GLY A 55 -6.647 -2.475 -3.506 1.00 0.00 C ATOM 862 C GLY A 55 -6.383 -3.901 -3.980 1.00 0.00 C ATOM 863 O GLY A 55 -5.573 -4.603 -3.408 1.00 0.00 O ATOM 0 H GLY A 55 -7.401 -1.191 -5.032 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.946 -2.220 -2.712 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.648 -2.413 -3.080 1.00 0.00 H new ATOM 867 N SER A 56 -7.066 -4.361 -4.991 1.00 0.00 N ATOM 868 CA SER A 56 -6.835 -5.761 -5.432 1.00 0.00 C ATOM 869 C SER A 56 -5.447 -5.894 -6.050 1.00 0.00 C ATOM 870 O SER A 56 -4.853 -6.954 -6.054 1.00 0.00 O ATOM 871 CB SER A 56 -7.899 -6.182 -6.448 1.00 0.00 C ATOM 872 OG SER A 56 -9.048 -5.358 -6.295 1.00 0.00 O ATOM 0 H SER A 56 -7.762 -3.838 -5.522 1.00 0.00 H new ATOM 0 HA SER A 56 -6.902 -6.414 -4.562 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.506 -6.093 -7.461 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.166 -7.228 -6.300 1.00 0.00 H new ATOM 0 HG SER A 56 -9.731 -5.624 -6.946 1.00 0.00 H new ATOM 878 N SER A 57 -4.961 -4.836 -6.648 1.00 0.00 N ATOM 879 CA SER A 57 -3.652 -4.932 -7.347 1.00 0.00 C ATOM 880 C SER A 57 -2.501 -4.962 -6.348 1.00 0.00 C ATOM 881 O SER A 57 -1.656 -5.829 -6.410 1.00 0.00 O ATOM 882 CB SER A 57 -3.482 -3.773 -8.329 1.00 0.00 C ATOM 883 OG SER A 57 -3.343 -2.559 -7.603 1.00 0.00 O ATOM 0 H SER A 57 -5.411 -3.921 -6.681 1.00 0.00 H new ATOM 0 HA SER A 57 -3.636 -5.866 -7.909 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.606 -3.938 -8.956 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.343 -3.716 -8.994 1.00 0.00 H new ATOM 0 HG SER A 57 -3.074 -1.841 -8.214 1.00 0.00 H new ATOM 889 N ILE A 58 -2.478 -4.077 -5.390 1.00 0.00 N ATOM 890 CA ILE A 58 -1.392 -4.131 -4.375 1.00 0.00 C ATOM 891 C ILE A 58 -1.373 -5.540 -3.793 1.00 0.00 C ATOM 892 O ILE A 58 -0.349 -6.184 -3.671 1.00 0.00 O ATOM 893 CB ILE A 58 -1.685 -3.127 -3.247 1.00 0.00 C ATOM 894 CG1 ILE A 58 -1.481 -1.695 -3.769 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.727 -3.389 -2.074 1.00 0.00 C ATOM 896 CD1 ILE A 58 -1.967 -0.677 -2.726 1.00 0.00 C ATOM 0 H ILE A 58 -3.157 -3.326 -5.267 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.434 -3.883 -4.832 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.715 -3.245 -2.910 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.427 -1.527 -3.989 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.027 -1.559 -4.703 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.931 -2.680 -1.272 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.872 -4.405 -1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.303 -3.269 -2.411 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.818 0.333 -3.107 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.027 -0.837 -2.528 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.402 -0.804 -1.803 1.00 0.00 H new ATOM 908 N LEU A 59 -2.533 -5.997 -3.432 1.00 0.00 N ATOM 909 CA LEU A 59 -2.692 -7.347 -2.840 1.00 0.00 C ATOM 910 C LEU A 59 -2.222 -8.415 -3.825 1.00 0.00 C ATOM 911 O LEU A 59 -1.870 -9.503 -3.421 1.00 0.00 O ATOM 912 CB LEU A 59 -4.194 -7.569 -2.522 1.00 0.00 C ATOM 913 CG LEU A 59 -4.478 -7.641 -1.019 1.00 0.00 C ATOM 914 CD1 LEU A 59 -3.731 -8.825 -0.378 1.00 0.00 C ATOM 915 CD2 LEU A 59 -4.072 -6.325 -0.342 1.00 0.00 C ATOM 0 H LEU A 59 -3.404 -5.474 -3.526 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.094 -7.421 -1.932 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.777 -6.758 -2.959 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.528 -8.492 -2.995 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.548 -7.796 -0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.947 -8.857 0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.058 -9.756 -0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.658 -8.702 -0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.278 -6.387 0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.007 -6.150 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.642 -5.502 -0.774 1.00 0.00 H new ATOM 927 N SER A 60 -2.259 -8.166 -5.109 1.00 0.00 N ATOM 928 CA SER A 60 -1.860 -9.252 -6.055 1.00 0.00 C ATOM 929 C SER A 60 -0.335 -9.296 -6.204 1.00 0.00 C ATOM 930 O SER A 60 0.263 -10.340 -6.376 1.00 0.00 O ATOM 931 CB SER A 60 -2.515 -8.979 -7.406 1.00 0.00 C ATOM 932 OG SER A 60 -3.850 -9.467 -7.388 1.00 0.00 O ATOM 0 H SER A 60 -2.540 -7.283 -5.535 1.00 0.00 H new ATOM 0 HA SER A 60 -2.189 -10.217 -5.670 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.509 -7.909 -7.616 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.949 -9.463 -8.202 1.00 0.00 H new ATOM 0 HG SER A 60 -4.437 -8.800 -6.974 1.00 0.00 H new ATOM 938 N ILE A 61 0.285 -8.147 -6.165 1.00 0.00 N ATOM 939 CA ILE A 61 1.764 -8.067 -6.328 1.00 0.00 C ATOM 940 C ILE A 61 2.496 -8.593 -5.091 1.00 0.00 C ATOM 941 O ILE A 61 3.459 -9.325 -5.185 1.00 0.00 O ATOM 942 CB ILE A 61 2.151 -6.601 -6.569 1.00 0.00 C ATOM 943 CG1 ILE A 61 1.242 -6.020 -7.698 1.00 0.00 C ATOM 944 CG2 ILE A 61 3.644 -6.518 -6.935 1.00 0.00 C ATOM 945 CD1 ILE A 61 2.016 -5.074 -8.629 1.00 0.00 C ATOM 0 H ILE A 61 -0.178 -7.249 -6.025 1.00 0.00 H new ATOM 0 HA ILE A 61 2.056 -8.688 -7.175 1.00 0.00 H new ATOM 0 HB ILE A 61 1.999 -6.008 -5.667 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.820 -6.838 -8.282 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.405 -5.484 -7.250 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.919 -5.477 -7.106 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.242 -6.922 -6.118 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.829 -7.096 -7.840 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.346 -4.693 -9.399 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.415 -4.241 -8.051 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.837 -5.616 -9.098 1.00 0.00 H new ATOM 957 N LEU A 62 2.060 -8.187 -3.930 1.00 0.00 N ATOM 958 CA LEU A 62 2.741 -8.619 -2.682 1.00 0.00 C ATOM 959 C LEU A 62 2.787 -10.152 -2.627 1.00 0.00 C ATOM 960 O LEU A 62 3.754 -10.736 -2.179 1.00 0.00 O ATOM 961 CB LEU A 62 1.961 -8.039 -1.481 1.00 0.00 C ATOM 962 CG LEU A 62 2.815 -6.995 -0.736 1.00 0.00 C ATOM 963 CD1 LEU A 62 1.911 -6.110 0.131 1.00 0.00 C ATOM 964 CD2 LEU A 62 3.852 -7.720 0.136 1.00 0.00 C ATOM 0 H LEU A 62 1.258 -7.572 -3.794 1.00 0.00 H new ATOM 0 HA LEU A 62 3.767 -8.253 -2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.036 -7.579 -1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.682 -8.842 -0.799 1.00 0.00 H new ATOM 0 HG LEU A 62 3.334 -6.361 -1.455 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.519 -5.373 0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.187 -5.598 -0.503 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.384 -6.729 0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.459 -6.986 0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.340 -8.356 0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.494 -8.333 -0.496 1.00 0.00 H new ATOM 976 N LEU A 63 1.754 -10.803 -3.078 1.00 0.00 N ATOM 977 CA LEU A 63 1.747 -12.290 -3.049 1.00 0.00 C ATOM 978 C LEU A 63 2.706 -12.837 -4.105 1.00 0.00 C ATOM 979 O LEU A 63 3.067 -13.998 -4.088 1.00 0.00 O ATOM 980 CB LEU A 63 0.329 -12.812 -3.284 1.00 0.00 C ATOM 981 CG LEU A 63 -0.615 -12.204 -2.242 1.00 0.00 C ATOM 982 CD1 LEU A 63 -2.036 -12.721 -2.485 1.00 0.00 C ATOM 983 CD2 LEU A 63 -0.155 -12.589 -0.825 1.00 0.00 C ATOM 0 H LEU A 63 0.915 -10.371 -3.465 1.00 0.00 H new ATOM 0 HA LEU A 63 2.081 -12.631 -2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.004 -12.552 -4.289 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.314 -13.900 -3.214 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.601 -11.118 -2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.711 -12.291 -1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.362 -12.433 -3.485 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.048 -13.807 -2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.832 -12.152 -0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.161 -13.674 -0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.854 -12.214 -0.656 1.00 0.00 H new ATOM 995 N GLU A 64 3.126 -12.009 -5.028 1.00 0.00 N ATOM 996 CA GLU A 64 4.062 -12.478 -6.085 1.00 0.00 C ATOM 997 C GLU A 64 5.488 -12.347 -5.556 1.00 0.00 C ATOM 998 O GLU A 64 6.414 -12.044 -6.280 1.00 0.00 O ATOM 999 CB GLU A 64 3.883 -11.651 -7.367 1.00 0.00 C ATOM 1000 CG GLU A 64 2.667 -12.156 -8.152 1.00 0.00 C ATOM 1001 CD GLU A 64 2.972 -13.534 -8.742 1.00 0.00 C ATOM 1002 OE1 GLU A 64 3.941 -13.641 -9.477 1.00 0.00 O ATOM 1003 OE2 GLU A 64 2.233 -14.459 -8.450 1.00 0.00 O ATOM 0 H GLU A 64 2.858 -11.027 -5.092 1.00 0.00 H new ATOM 0 HA GLU A 64 3.853 -13.519 -6.331 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.752 -10.599 -7.115 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.779 -11.722 -7.983 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.798 -12.214 -7.497 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.419 -11.455 -8.949 1.00 0.00 H new ATOM 1010 N GLU A 65 5.651 -12.610 -4.288 1.00 0.00 N ATOM 1011 CA GLU A 65 6.995 -12.567 -3.646 1.00 0.00 C ATOM 1012 C GLU A 65 7.833 -11.362 -4.086 1.00 0.00 C ATOM 1013 O GLU A 65 9.045 -11.418 -4.135 1.00 0.00 O ATOM 1014 CB GLU A 65 7.741 -13.869 -4.010 1.00 0.00 C ATOM 1015 CG GLU A 65 8.078 -13.962 -5.512 1.00 0.00 C ATOM 1016 CD GLU A 65 9.128 -15.057 -5.724 1.00 0.00 C ATOM 1017 OE1 GLU A 65 9.067 -16.053 -5.023 1.00 0.00 O ATOM 1018 OE2 GLU A 65 9.974 -14.880 -6.586 1.00 0.00 O ATOM 0 H GLU A 65 4.890 -12.859 -3.656 1.00 0.00 H new ATOM 0 HA GLU A 65 6.851 -12.470 -2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.662 -13.929 -3.431 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.129 -14.725 -3.725 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.179 -14.187 -6.086 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.455 -13.005 -5.873 1.00 0.00 H new ATOM 1025 N VAL A 66 7.189 -10.258 -4.376 1.00 0.00 N ATOM 1026 CA VAL A 66 7.934 -9.021 -4.778 1.00 0.00 C ATOM 1027 C VAL A 66 8.195 -8.179 -3.514 1.00 0.00 C ATOM 1028 O VAL A 66 7.383 -8.138 -2.611 1.00 0.00 O ATOM 1029 CB VAL A 66 7.070 -8.234 -5.793 1.00 0.00 C ATOM 1030 CG1 VAL A 66 7.370 -6.728 -5.726 1.00 0.00 C ATOM 1031 CG2 VAL A 66 7.365 -8.738 -7.212 1.00 0.00 C ATOM 0 H VAL A 66 6.174 -10.159 -4.352 1.00 0.00 H new ATOM 0 HA VAL A 66 8.888 -9.268 -5.244 1.00 0.00 H new ATOM 0 HB VAL A 66 6.021 -8.393 -5.543 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.749 -6.201 -6.450 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.153 -6.358 -4.724 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.421 -6.556 -5.957 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.757 -8.185 -7.928 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.420 -8.588 -7.439 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.127 -9.800 -7.278 1.00 0.00 H new ATOM 1041 N SER A 67 9.321 -7.515 -3.438 1.00 0.00 N ATOM 1042 CA SER A 67 9.619 -6.691 -2.225 1.00 0.00 C ATOM 1043 C SER A 67 8.449 -5.707 -1.978 1.00 0.00 C ATOM 1044 O SER A 67 7.763 -5.346 -2.913 1.00 0.00 O ATOM 1045 CB SER A 67 10.940 -5.932 -2.439 1.00 0.00 C ATOM 1046 OG SER A 67 11.717 -5.994 -1.251 1.00 0.00 O ATOM 0 H SER A 67 10.043 -7.507 -4.158 1.00 0.00 H new ATOM 0 HA SER A 67 9.725 -7.331 -1.349 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.492 -6.368 -3.271 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.737 -4.893 -2.701 1.00 0.00 H new ATOM 0 HG SER A 67 12.560 -5.512 -1.386 1.00 0.00 H new ATOM 1052 N PRO A 68 8.230 -5.306 -0.735 1.00 0.00 N ATOM 1053 CA PRO A 68 7.118 -4.383 -0.405 1.00 0.00 C ATOM 1054 C PRO A 68 7.327 -2.973 -0.996 1.00 0.00 C ATOM 1055 O PRO A 68 6.391 -2.347 -1.442 1.00 0.00 O ATOM 1056 CB PRO A 68 7.118 -4.310 1.143 1.00 0.00 C ATOM 1057 CG PRO A 68 8.424 -4.985 1.637 1.00 0.00 C ATOM 1058 CD PRO A 68 9.039 -5.731 0.435 1.00 0.00 C ATOM 0 HA PRO A 68 6.177 -4.742 -0.823 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.070 -3.274 1.479 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.245 -4.818 1.552 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.119 -4.240 2.023 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.214 -5.677 2.452 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.089 -5.471 0.304 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.993 -6.811 0.575 1.00 0.00 H new ATOM 1066 N GLU A 69 8.521 -2.442 -0.960 1.00 0.00 N ATOM 1067 CA GLU A 69 8.723 -1.052 -1.479 1.00 0.00 C ATOM 1068 C GLU A 69 8.754 -1.045 -3.015 1.00 0.00 C ATOM 1069 O GLU A 69 8.594 -0.008 -3.648 1.00 0.00 O ATOM 1070 CB GLU A 69 10.033 -0.461 -0.902 1.00 0.00 C ATOM 1071 CG GLU A 69 10.994 -1.585 -0.495 1.00 0.00 C ATOM 1072 CD GLU A 69 12.337 -0.980 -0.084 1.00 0.00 C ATOM 1073 OE1 GLU A 69 12.911 -0.262 -0.885 1.00 0.00 O ATOM 1074 OE2 GLU A 69 12.767 -1.245 1.027 1.00 0.00 O ATOM 0 H GLU A 69 9.357 -2.902 -0.599 1.00 0.00 H new ATOM 0 HA GLU A 69 7.886 -0.432 -1.158 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.508 0.181 -1.644 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.808 0.164 -0.038 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.572 -2.158 0.331 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.133 -2.278 -1.325 1.00 0.00 H new ATOM 1081 N LEU A 70 8.919 -2.179 -3.635 1.00 0.00 N ATOM 1082 CA LEU A 70 8.921 -2.176 -5.120 1.00 0.00 C ATOM 1083 C LEU A 70 7.479 -1.916 -5.572 1.00 0.00 C ATOM 1084 O LEU A 70 7.217 -1.603 -6.716 1.00 0.00 O ATOM 1085 CB LEU A 70 9.451 -3.514 -5.665 1.00 0.00 C ATOM 1086 CG LEU A 70 10.977 -3.596 -5.518 1.00 0.00 C ATOM 1087 CD1 LEU A 70 11.461 -4.984 -5.972 1.00 0.00 C ATOM 1088 CD2 LEU A 70 11.680 -2.507 -6.358 1.00 0.00 C ATOM 0 H LEU A 70 9.050 -3.087 -3.189 1.00 0.00 H new ATOM 0 HA LEU A 70 9.581 -1.400 -5.508 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.985 -4.341 -5.129 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.176 -3.619 -6.715 1.00 0.00 H new ATOM 0 HG LEU A 70 11.228 -3.435 -4.470 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.544 -5.043 -5.868 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.995 -5.752 -5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.187 -5.141 -7.015 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.760 -2.591 -6.233 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.425 -2.638 -7.410 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.352 -1.522 -6.025 1.00 0.00 H new ATOM 1100 N VAL A 71 6.540 -2.073 -4.669 1.00 0.00 N ATOM 1101 CA VAL A 71 5.107 -1.868 -5.031 1.00 0.00 C ATOM 1102 C VAL A 71 4.857 -0.405 -5.412 1.00 0.00 C ATOM 1103 O VAL A 71 4.314 -0.131 -6.462 1.00 0.00 O ATOM 1104 CB VAL A 71 4.194 -2.287 -3.850 1.00 0.00 C ATOM 1105 CG1 VAL A 71 2.801 -1.614 -3.927 1.00 0.00 C ATOM 1106 CG2 VAL A 71 4.027 -3.811 -3.851 1.00 0.00 C ATOM 0 H VAL A 71 6.707 -2.334 -3.697 1.00 0.00 H new ATOM 0 HA VAL A 71 4.869 -2.492 -5.893 1.00 0.00 H new ATOM 0 HB VAL A 71 4.671 -1.958 -2.927 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.194 -1.936 -3.080 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.918 -0.531 -3.899 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.309 -1.902 -4.856 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.385 -4.107 -3.021 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.574 -4.127 -4.791 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.003 -4.284 -3.742 1.00 0.00 H new ATOM 1116 N CYS A 72 5.192 0.544 -4.584 1.00 0.00 N ATOM 1117 CA CYS A 72 4.883 1.950 -4.967 1.00 0.00 C ATOM 1118 C CYS A 72 5.712 2.367 -6.195 1.00 0.00 C ATOM 1119 O CYS A 72 5.303 3.207 -6.973 1.00 0.00 O ATOM 1120 CB CYS A 72 5.165 2.894 -3.775 1.00 0.00 C ATOM 1121 SG CYS A 72 3.856 4.137 -3.650 1.00 0.00 S ATOM 0 H CYS A 72 5.653 0.415 -3.683 1.00 0.00 H new ATOM 0 HA CYS A 72 3.827 2.021 -5.229 1.00 0.00 H new ATOM 0 HB2 CYS A 72 5.222 2.319 -2.851 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.131 3.382 -3.907 1.00 0.00 H new ATOM 1126 N SER A 73 6.868 1.779 -6.379 1.00 0.00 N ATOM 1127 CA SER A 73 7.700 2.147 -7.571 1.00 0.00 C ATOM 1128 C SER A 73 7.148 1.494 -8.859 1.00 0.00 C ATOM 1129 O SER A 73 7.145 2.108 -9.908 1.00 0.00 O ATOM 1130 CB SER A 73 9.146 1.708 -7.347 1.00 0.00 C ATOM 1131 OG SER A 73 9.998 2.435 -8.223 1.00 0.00 O ATOM 0 H SER A 73 7.269 1.069 -5.766 1.00 0.00 H new ATOM 0 HA SER A 73 7.661 3.229 -7.694 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.435 1.884 -6.311 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.246 0.638 -7.529 1.00 0.00 H new ATOM 0 HG SER A 73 10.927 2.157 -8.081 1.00 0.00 H new ATOM 1137 N MET A 74 6.686 0.269 -8.804 1.00 0.00 N ATOM 1138 CA MET A 74 6.145 -0.387 -10.047 1.00 0.00 C ATOM 1139 C MET A 74 4.779 0.217 -10.431 1.00 0.00 C ATOM 1140 O MET A 74 4.507 0.434 -11.596 1.00 0.00 O ATOM 1141 CB MET A 74 5.981 -1.916 -9.807 1.00 0.00 C ATOM 1142 CG MET A 74 7.181 -2.709 -10.361 1.00 0.00 C ATOM 1143 SD MET A 74 6.715 -4.452 -10.572 1.00 0.00 S ATOM 1144 CE MET A 74 5.835 -4.689 -9.005 1.00 0.00 C ATOM 0 H MET A 74 6.658 -0.306 -7.962 1.00 0.00 H new ATOM 0 HA MET A 74 6.849 -0.214 -10.861 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.879 -2.108 -8.739 1.00 0.00 H new ATOM 0 HB3 MET A 74 5.064 -2.263 -10.283 1.00 0.00 H new ATOM 0 HG2 MET A 74 7.498 -2.289 -11.316 1.00 0.00 H new ATOM 0 HG3 MET A 74 8.028 -2.629 -9.680 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.810 -5.751 -8.759 1.00 0.00 H new ATOM 0 HE2 MET A 74 6.349 -4.145 -8.213 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.816 -4.315 -9.100 1.00 0.00 H new ATOM 1154 N LEU A 75 3.912 0.478 -9.491 1.00 0.00 N ATOM 1155 CA LEU A 75 2.582 1.047 -9.861 1.00 0.00 C ATOM 1156 C LEU A 75 2.738 2.511 -10.294 1.00 0.00 C ATOM 1157 O LEU A 75 1.777 3.248 -10.383 1.00 0.00 O ATOM 1158 CB LEU A 75 1.624 0.958 -8.663 1.00 0.00 C ATOM 1159 CG LEU A 75 1.523 -0.492 -8.147 1.00 0.00 C ATOM 1160 CD1 LEU A 75 0.394 -0.598 -7.116 1.00 0.00 C ATOM 1161 CD2 LEU A 75 1.234 -1.459 -9.307 1.00 0.00 C ATOM 0 H LEU A 75 4.063 0.325 -8.494 1.00 0.00 H new ATOM 0 HA LEU A 75 2.171 0.473 -10.692 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.974 1.610 -7.863 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.636 1.314 -8.955 1.00 0.00 H new ATOM 0 HG LEU A 75 2.474 -0.760 -7.686 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.327 -1.624 -6.754 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.602 0.069 -6.279 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.550 -0.314 -7.580 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.166 -2.477 -8.924 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.291 -1.186 -9.782 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.039 -1.400 -10.039 1.00 0.00 H new ATOM 1173 N HIS A 76 3.942 2.931 -10.572 1.00 0.00 N ATOM 1174 CA HIS A 76 4.170 4.342 -11.010 1.00 0.00 C ATOM 1175 C HIS A 76 3.490 5.312 -10.037 1.00 0.00 C ATOM 1176 O HIS A 76 3.177 6.429 -10.400 1.00 0.00 O ATOM 1177 CB HIS A 76 3.610 4.540 -12.423 1.00 0.00 C ATOM 1178 CG HIS A 76 4.298 3.596 -13.370 1.00 0.00 C ATOM 1179 ND1 HIS A 76 5.673 3.588 -13.537 1.00 0.00 N ATOM 1180 CD2 HIS A 76 3.812 2.623 -14.208 1.00 0.00 C ATOM 1181 CE1 HIS A 76 5.966 2.637 -14.443 1.00 0.00 C ATOM 1182 NE2 HIS A 76 4.867 2.018 -14.885 1.00 0.00 N ATOM 0 H HIS A 76 4.783 2.356 -10.515 1.00 0.00 H new ATOM 0 HA HIS A 76 5.241 4.545 -11.017 1.00 0.00 H new ATOM 0 HB2 HIS A 76 2.535 4.359 -12.429 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.762 5.570 -12.745 1.00 0.00 H new ATOM 0 HD2 HIS A 76 2.769 2.366 -14.324 1.00 0.00 H new ATOM 0 HE1 HIS A 76 6.967 2.403 -14.773 1.00 0.00 H new ATOM 0 HE2 HIS A 76 4.813 1.265 -15.571 1.00 0.00 H new ATOM 1190 N LEU A 77 3.251 4.926 -8.813 1.00 0.00 N ATOM 1191 CA LEU A 77 2.588 5.871 -7.863 1.00 0.00 C ATOM 1192 C LEU A 77 3.645 6.772 -7.223 1.00 0.00 C ATOM 1193 O LEU A 77 3.322 7.766 -6.603 1.00 0.00 O ATOM 1194 CB LEU A 77 1.839 5.093 -6.760 1.00 0.00 C ATOM 1195 CG LEU A 77 0.513 4.481 -7.264 1.00 0.00 C ATOM 1196 CD1 LEU A 77 -0.269 3.957 -6.057 1.00 0.00 C ATOM 1197 CD2 LEU A 77 -0.359 5.522 -7.998 1.00 0.00 C ATOM 0 H LEU A 77 3.482 4.009 -8.431 1.00 0.00 H new ATOM 0 HA LEU A 77 1.869 6.477 -8.414 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.481 4.298 -6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.632 5.762 -5.925 1.00 0.00 H new ATOM 0 HG LEU A 77 0.752 3.682 -7.966 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.209 3.521 -6.394 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.320 3.197 -5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.476 4.780 -5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.282 5.050 -8.336 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.598 6.341 -7.319 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.186 5.911 -8.858 1.00 0.00 H new ATOM 1209 N CYS A 78 4.906 6.445 -7.383 1.00 0.00 N ATOM 1210 CA CYS A 78 5.993 7.297 -6.800 1.00 0.00 C ATOM 1211 C CYS A 78 7.014 7.616 -7.896 1.00 0.00 C ATOM 1212 O CYS A 78 7.056 6.969 -8.923 1.00 0.00 O ATOM 1213 CB CYS A 78 6.690 6.553 -5.661 1.00 0.00 C ATOM 1214 SG CYS A 78 5.615 6.523 -4.206 1.00 0.00 S ATOM 0 H CYS A 78 5.230 5.623 -7.893 1.00 0.00 H new ATOM 0 HA CYS A 78 5.561 8.218 -6.409 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.928 5.535 -5.970 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.634 7.042 -5.418 1.00 0.00 H new ATOM 1219 N SER A 79 7.835 8.612 -7.693 1.00 0.00 N ATOM 1220 CA SER A 79 8.842 8.967 -8.735 1.00 0.00 C ATOM 1221 C SER A 79 9.915 7.876 -8.809 1.00 0.00 C ATOM 1222 O SER A 79 10.741 7.866 -9.700 1.00 0.00 O ATOM 1223 CB SER A 79 9.493 10.309 -8.384 1.00 0.00 C ATOM 1224 OG SER A 79 8.492 11.213 -7.935 1.00 0.00 O ATOM 0 H SER A 79 7.852 9.193 -6.855 1.00 0.00 H new ATOM 0 HA SER A 79 8.347 9.049 -9.702 1.00 0.00 H new ATOM 0 HB2 SER A 79 10.247 10.169 -7.609 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.004 10.718 -9.256 1.00 0.00 H new ATOM 0 HG SER A 79 8.905 12.072 -7.708 1.00 0.00 H new ATOM 1230 N GLY A 80 9.913 6.961 -7.872 1.00 0.00 N ATOM 1231 CA GLY A 80 10.928 5.871 -7.869 1.00 0.00 C ATOM 1232 C GLY A 80 12.024 6.233 -6.872 1.00 0.00 C ATOM 1233 O GLY A 80 12.618 7.290 -6.952 1.00 0.00 O ATOM 0 H GLY A 80 9.244 6.925 -7.103 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.465 4.923 -7.595 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.350 5.743 -8.866 1.00 0.00 H new ATOM 1237 N LEU A 81 12.283 5.380 -5.915 1.00 0.00 N ATOM 1238 CA LEU A 81 13.329 5.694 -4.900 1.00 0.00 C ATOM 1239 C LEU A 81 14.579 6.210 -5.604 1.00 0.00 C ATOM 1240 O LEU A 81 15.472 6.725 -4.962 1.00 0.00 O ATOM 1241 CB LEU A 81 13.676 4.430 -4.108 1.00 0.00 C ATOM 1242 CG LEU A 81 12.393 3.721 -3.665 1.00 0.00 C ATOM 1243 CD1 LEU A 81 12.752 2.546 -2.752 1.00 0.00 C ATOM 1244 CD2 LEU A 81 11.493 4.703 -2.905 1.00 0.00 C ATOM 0 H LEU A 81 11.816 4.482 -5.794 1.00 0.00 H new ATOM 0 HA LEU A 81 12.952 6.456 -4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.278 3.760 -4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.277 4.690 -3.237 1.00 0.00 H new ATOM 0 HG LEU A 81 11.862 3.354 -4.543 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.840 2.040 -2.435 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.387 1.845 -3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.285 2.916 -1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.582 4.194 -2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.021 5.075 -2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.236 5.539 -3.555 1.00 0.00 H new ATOM 1256 N VAL A 82 14.689 6.087 -6.895 1.00 0.00 N ATOM 1257 CA VAL A 82 15.930 6.590 -7.558 1.00 0.00 C ATOM 1258 C VAL A 82 15.841 8.125 -7.713 1.00 0.00 C ATOM 1259 O VAL A 82 14.763 8.637 -7.943 1.00 0.00 O ATOM 1260 CB VAL A 82 16.057 5.949 -8.942 1.00 0.00 C ATOM 1261 CG1 VAL A 82 16.209 4.435 -8.791 1.00 0.00 C ATOM 1262 CG2 VAL A 82 14.802 6.254 -9.764 1.00 0.00 C ATOM 0 H VAL A 82 13.992 5.670 -7.512 1.00 0.00 H new ATOM 0 HA VAL A 82 16.799 6.333 -6.953 1.00 0.00 H new ATOM 0 HB VAL A 82 16.932 6.354 -9.450 1.00 0.00 H new ATOM 0 HG11 VAL A 82 16.299 3.978 -9.777 1.00 0.00 H new ATOM 0 HG12 VAL A 82 17.102 4.216 -8.206 1.00 0.00 H new ATOM 0 HG13 VAL A 82 15.334 4.030 -8.283 1.00 0.00 H new ATOM 0 HG21 VAL A 82 14.893 5.797 -10.750 1.00 0.00 H new ATOM 0 HG22 VAL A 82 13.927 5.849 -9.256 1.00 0.00 H new ATOM 0 HG23 VAL A 82 14.692 7.333 -9.873 1.00 0.00 H new ATOM 1272 N PRO A 83 16.956 8.832 -7.598 1.00 0.00 N ATOM 1273 CA PRO A 83 16.945 10.303 -7.749 1.00 0.00 C ATOM 1274 C PRO A 83 16.496 10.672 -9.171 1.00 0.00 C ATOM 1275 O PRO A 83 16.377 11.831 -9.513 1.00 0.00 O ATOM 1276 CB PRO A 83 18.407 10.741 -7.493 1.00 0.00 C ATOM 1277 CG PRO A 83 19.265 9.450 -7.398 1.00 0.00 C ATOM 1278 CD PRO A 83 18.292 8.255 -7.316 1.00 0.00 C ATOM 0 HA PRO A 83 16.256 10.795 -7.062 1.00 0.00 H new ATOM 0 HB2 PRO A 83 18.764 11.381 -8.300 1.00 0.00 H new ATOM 0 HB3 PRO A 83 18.479 11.319 -6.572 1.00 0.00 H new ATOM 0 HG2 PRO A 83 19.915 9.356 -8.268 1.00 0.00 H new ATOM 0 HG3 PRO A 83 19.910 9.481 -6.520 1.00 0.00 H new ATOM 0 HD2 PRO A 83 18.551 7.484 -8.042 1.00 0.00 H new ATOM 0 HD3 PRO A 83 18.321 7.788 -6.331 1.00 0.00 H new ATOM 1286 N ARG A 84 16.252 9.693 -9.996 1.00 0.00 N ATOM 1287 CA ARG A 84 15.818 9.987 -11.390 1.00 0.00 C ATOM 1288 C ARG A 84 15.356 8.693 -12.064 1.00 0.00 C ATOM 1289 O ARG A 84 16.139 7.758 -12.105 1.00 0.00 O ATOM 1290 CB ARG A 84 16.993 10.578 -12.172 1.00 0.00 C ATOM 1291 CG ARG A 84 16.515 11.038 -13.550 1.00 0.00 C ATOM 1292 CD ARG A 84 17.662 11.739 -14.280 1.00 0.00 C ATOM 1293 NE ARG A 84 17.274 11.986 -15.697 1.00 0.00 N ATOM 1294 CZ ARG A 84 17.961 12.825 -16.425 1.00 0.00 C ATOM 1295 NH1 ARG A 84 18.987 13.446 -15.910 1.00 0.00 N ATOM 1296 NH2 ARG A 84 17.623 13.041 -17.666 1.00 0.00 N ATOM 1297 OXT ARG A 84 14.229 8.660 -12.527 1.00 0.00 O ATOM 0 H ARG A 84 16.334 8.703 -9.766 1.00 0.00 H new ATOM 0 HA ARG A 84 14.995 10.701 -11.373 1.00 0.00 H new ATOM 0 HB2 ARG A 84 17.420 11.419 -11.625 1.00 0.00 H new ATOM 0 HB3 ARG A 84 17.782 9.834 -12.280 1.00 0.00 H new ATOM 0 HG2 ARG A 84 16.169 10.183 -14.131 1.00 0.00 H new ATOM 0 HG3 ARG A 84 15.668 11.716 -13.445 1.00 0.00 H new ATOM 0 HD2 ARG A 84 17.898 12.682 -13.787 1.00 0.00 H new ATOM 0 HD3 ARG A 84 18.562 11.125 -14.240 1.00 0.00 H new ATOM 0 HE ARG A 84 16.472 11.500 -16.099 1.00 0.00 H new ATOM 0 HH11 ARG A 84 19.252 13.276 -14.940 1.00 0.00 H new ATOM 0 HH12 ARG A 84 19.524 14.101 -16.478 1.00 0.00 H new ATOM 0 HH21 ARG A 84 16.822 12.555 -18.068 1.00 0.00 H new ATOM 0 HH22 ARG A 84 18.160 13.696 -18.234 1.00 0.00 H new TER 1311 ARG A 84