USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 641 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 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.57 K(o=-0.57,f=-3.1) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -1.2 K(o=-1.2,f=-2.2!) USER MOD Single : A 15 TYR OH : rot 125:sc= 0.742 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 150:sc= 0.92 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.741 K(o=0.74,f=0.0081) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -114:sc= 1.04 (180deg=-0.49) USER MOD Single : A 35 ASN : amide:sc= 0.47 X(o=0.47,f=-0.025) USER MOD Single : A 38 ASN : amide:sc= -0.0917 K(o=-0.092,f=-1.3!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -152:sc= 1.27 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0.122 X(o=0.12,f=-0.021) USER MOD Single : A 51 MET CE :methyl -168:sc= -1.73! (180deg=-1.97!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -77:sc= 0.536 USER MOD Single : A 55 SER OG : rot 151:sc= -0.187 USER MOD Single : A 56 THR OG1 : rot 26:sc= 0.717 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 80:sc= 0.455 USER MOD Single : A 66 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0818) USER MOD Single : A 67 LYS NZ :NH3+ -173:sc= 1.21 (180deg=1.08) USER MOD Single : A 68 SER OG : rot -81:sc= 0.898 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.254 K(o=-0.25,f=-1) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 173:sc= 0.539 (180deg=0.513) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 75 N SER A 6 -4.145 -12.357 -3.338 1.00 0.76 N ATOM 76 CA SER A 6 -3.435 -11.231 -3.909 1.00 0.72 C ATOM 77 C SER A 6 -4.424 -10.121 -4.214 1.00 0.69 C ATOM 78 O SER A 6 -4.177 -8.986 -3.853 1.00 0.72 O ATOM 79 CB SER A 6 -2.657 -11.674 -5.154 1.00 0.81 C ATOM 80 OG SER A 6 -1.623 -10.759 -5.455 1.00 0.97 O ATOM 0 HA SER A 6 -2.705 -10.846 -3.197 1.00 0.72 H new ATOM 0 HB2 SER A 6 -2.234 -12.665 -4.990 1.00 0.81 H new ATOM 0 HB3 SER A 6 -3.336 -11.754 -6.003 1.00 0.81 H new ATOM 0 HG SER A 6 -1.139 -11.062 -6.251 1.00 0.97 H new ATOM 86 N THR A 7 -5.543 -10.453 -4.840 1.00 0.71 N ATOM 87 CA THR A 7 -6.641 -9.543 -5.151 1.00 0.71 C ATOM 88 C THR A 7 -7.283 -9.033 -3.871 1.00 0.60 C ATOM 89 O THR A 7 -7.527 -7.842 -3.711 1.00 0.58 O ATOM 90 CB THR A 7 -7.653 -10.286 -6.043 1.00 0.78 C ATOM 91 OG1 THR A 7 -7.001 -10.729 -7.212 1.00 0.93 O ATOM 92 CG2 THR A 7 -8.862 -9.467 -6.492 1.00 0.90 C ATOM 0 H THR A 7 -5.721 -11.405 -5.160 1.00 0.71 H new ATOM 0 HA THR A 7 -6.271 -8.671 -5.690 1.00 0.71 H new ATOM 0 HB THR A 7 -8.030 -11.095 -5.418 1.00 0.78 H new ATOM 0 HG1 THR A 7 -7.640 -11.204 -7.783 1.00 0.93 H new ATOM 0 HG21 THR A 7 -9.509 -10.085 -7.114 1.00 0.90 H new ATOM 0 HG22 THR A 7 -9.416 -9.127 -5.617 1.00 0.90 H new ATOM 0 HG23 THR A 7 -8.524 -8.604 -7.065 1.00 0.90 H new ATOM 100 N GLN A 8 -7.540 -9.917 -2.914 1.00 0.61 N ATOM 101 CA GLN A 8 -8.214 -9.529 -1.686 1.00 0.64 C ATOM 102 C GLN A 8 -7.389 -8.527 -0.894 1.00 0.53 C ATOM 103 O GLN A 8 -7.945 -7.721 -0.149 1.00 0.67 O ATOM 104 CB GLN A 8 -8.487 -10.768 -0.828 1.00 0.82 C ATOM 105 CG GLN A 8 -9.718 -11.561 -1.302 1.00 1.04 C ATOM 106 CD GLN A 8 -11.057 -10.869 -1.055 1.00 1.65 C ATOM 107 OE1 GLN A 8 -11.136 -9.695 -0.720 1.00 2.35 O ATOM 108 NE2 GLN A 8 -12.159 -11.581 -1.248 1.00 2.10 N ATOM 0 H GLN A 8 -7.291 -10.905 -2.967 1.00 0.61 H new ATOM 0 HA GLN A 8 -9.157 -9.054 -1.955 1.00 0.64 H new ATOM 0 HB2 GLN A 8 -7.612 -11.418 -0.847 1.00 0.82 H new ATOM 0 HB3 GLN A 8 -8.634 -10.462 0.208 1.00 0.82 H new ATOM 0 HG2 GLN A 8 -9.618 -11.758 -2.369 1.00 1.04 H new ATOM 0 HG3 GLN A 8 -9.726 -12.528 -0.799 1.00 1.04 H new ATOM 0 HE21 GLN A 8 -12.091 -12.560 -1.527 1.00 2.10 H new ATOM 0 HE22 GLN A 8 -13.074 -11.150 -1.117 1.00 2.10 H new ATOM 117 N ILE A 9 -6.068 -8.565 -1.044 1.00 0.56 N ATOM 118 CA ILE A 9 -5.226 -7.606 -0.363 1.00 0.57 C ATOM 119 C ILE A 9 -5.076 -6.392 -1.249 1.00 0.53 C ATOM 120 O ILE A 9 -5.010 -5.281 -0.746 1.00 0.57 O ATOM 121 CB ILE A 9 -3.892 -8.234 0.052 1.00 0.63 C ATOM 122 CG1 ILE A 9 -3.475 -7.626 1.397 1.00 1.75 C ATOM 123 CG2 ILE A 9 -2.743 -8.059 -0.940 1.00 1.35 C ATOM 124 CD1 ILE A 9 -2.312 -8.409 1.993 1.00 1.99 C ATOM 0 H ILE A 9 -5.570 -9.241 -1.623 1.00 0.56 H new ATOM 0 HA ILE A 9 -5.687 -7.286 0.571 1.00 0.57 H new ATOM 0 HB ILE A 9 -4.070 -9.308 0.102 1.00 0.63 H new ATOM 0 HG12 ILE A 9 -3.188 -6.584 1.259 1.00 1.75 H new ATOM 0 HG13 ILE A 9 -4.320 -7.636 2.086 1.00 1.75 H new ATOM 0 HG21 ILE A 9 -1.847 -8.541 -0.548 1.00 1.35 H new ATOM 0 HG22 ILE A 9 -3.012 -8.514 -1.893 1.00 1.35 H new ATOM 0 HG23 ILE A 9 -2.548 -6.997 -1.088 1.00 1.35 H new ATOM 0 HD11 ILE A 9 -2.026 -7.966 2.947 1.00 1.99 H new ATOM 0 HD12 ILE A 9 -2.613 -9.445 2.149 1.00 1.99 H new ATOM 0 HD13 ILE A 9 -1.463 -8.377 1.310 1.00 1.99 H new ATOM 136 N LEU A 10 -5.045 -6.597 -2.565 1.00 0.51 N ATOM 137 CA LEU A 10 -4.836 -5.524 -3.516 1.00 0.55 C ATOM 138 C LEU A 10 -5.923 -4.479 -3.368 1.00 0.54 C ATOM 139 O LEU A 10 -5.639 -3.312 -3.114 1.00 0.53 O ATOM 140 CB LEU A 10 -4.808 -6.041 -4.958 1.00 0.71 C ATOM 141 CG LEU A 10 -3.623 -5.491 -5.751 1.00 0.71 C ATOM 142 CD1 LEU A 10 -3.918 -5.791 -7.217 1.00 1.68 C ATOM 143 CD2 LEU A 10 -3.376 -4.000 -5.482 1.00 2.08 C ATOM 0 H LEU A 10 -5.165 -7.514 -2.995 1.00 0.51 H new ATOM 0 HA LEU A 10 -3.865 -5.077 -3.301 1.00 0.55 H new ATOM 0 HB2 LEU A 10 -4.762 -7.130 -4.950 1.00 0.71 H new ATOM 0 HB3 LEU A 10 -5.736 -5.765 -5.458 1.00 0.71 H new ATOM 0 HG LEU A 10 -2.693 -5.969 -5.443 1.00 0.71 H new ATOM 0 HD11 LEU A 10 -3.101 -5.419 -7.836 1.00 1.68 H new ATOM 0 HD12 LEU A 10 -4.017 -6.868 -7.355 1.00 1.68 H new ATOM 0 HD13 LEU A 10 -4.847 -5.301 -7.509 1.00 1.68 H new ATOM 0 HD21 LEU A 10 -2.523 -3.661 -6.070 1.00 2.08 H new ATOM 0 HD22 LEU A 10 -4.261 -3.428 -5.762 1.00 2.08 H new ATOM 0 HD23 LEU A 10 -3.168 -3.851 -4.422 1.00 2.08 H new ATOM 155 N LYS A 11 -7.177 -4.910 -3.481 1.00 0.61 N ATOM 156 CA LYS A 11 -8.322 -4.030 -3.310 1.00 0.65 C ATOM 157 C LYS A 11 -8.258 -3.338 -1.951 1.00 0.66 C ATOM 158 O LYS A 11 -8.697 -2.206 -1.802 1.00 0.75 O ATOM 159 CB LYS A 11 -9.605 -4.845 -3.509 1.00 0.71 C ATOM 160 CG LYS A 11 -9.893 -5.752 -2.312 1.00 2.16 C ATOM 161 CD LYS A 11 -10.643 -7.002 -2.744 1.00 2.80 C ATOM 162 CE LYS A 11 -11.987 -6.702 -3.404 1.00 3.14 C ATOM 163 NZ LYS A 11 -12.658 -7.960 -3.787 1.00 3.80 N ATOM 0 H LYS A 11 -7.424 -5.877 -3.693 1.00 0.61 H new ATOM 0 HA LYS A 11 -8.313 -3.236 -4.057 1.00 0.65 H new ATOM 0 HB2 LYS A 11 -10.445 -4.168 -3.663 1.00 0.71 H new ATOM 0 HB3 LYS A 11 -9.515 -5.451 -4.411 1.00 0.71 H new ATOM 0 HG2 LYS A 11 -8.956 -6.034 -1.831 1.00 2.16 H new ATOM 0 HG3 LYS A 11 -10.481 -5.208 -1.572 1.00 2.16 H new ATOM 0 HD2 LYS A 11 -10.023 -7.567 -3.439 1.00 2.80 H new ATOM 0 HD3 LYS A 11 -10.807 -7.638 -1.874 1.00 2.80 H new ATOM 0 HE2 LYS A 11 -12.619 -6.138 -2.718 1.00 3.14 H new ATOM 0 HE3 LYS A 11 -11.837 -6.078 -4.285 1.00 3.14 H new ATOM 0 HZ1 LYS A 11 -13.571 -7.744 -4.235 1.00 3.80 H new ATOM 0 HZ2 LYS A 11 -12.059 -8.483 -4.457 1.00 3.80 H new ATOM 0 HZ3 LYS A 11 -12.817 -8.541 -2.939 1.00 3.80 H new ATOM 177 N GLN A 12 -7.710 -4.016 -0.941 1.00 0.64 N ATOM 178 CA GLN A 12 -7.585 -3.468 0.396 1.00 0.64 C ATOM 179 C GLN A 12 -6.441 -2.450 0.513 1.00 0.51 C ATOM 180 O GLN A 12 -6.522 -1.515 1.304 1.00 0.52 O ATOM 181 CB GLN A 12 -7.484 -4.612 1.416 1.00 0.78 C ATOM 182 CG GLN A 12 -8.864 -4.926 2.001 1.00 1.45 C ATOM 183 CD GLN A 12 -9.372 -3.738 2.818 1.00 1.89 C ATOM 184 OE1 GLN A 12 -8.722 -3.304 3.761 1.00 2.68 O ATOM 185 NE2 GLN A 12 -10.511 -3.165 2.452 1.00 2.86 N ATOM 0 H GLN A 12 -7.342 -4.963 -1.035 1.00 0.64 H new ATOM 0 HA GLN A 12 -8.485 -2.897 0.622 1.00 0.64 H new ATOM 0 HB2 GLN A 12 -7.074 -5.501 0.936 1.00 0.78 H new ATOM 0 HB3 GLN A 12 -6.797 -4.336 2.216 1.00 0.78 H new ATOM 0 HG2 GLN A 12 -9.565 -5.151 1.198 1.00 1.45 H new ATOM 0 HG3 GLN A 12 -8.807 -5.813 2.632 1.00 1.45 H new ATOM 0 HE21 GLN A 12 -11.040 -3.539 1.664 1.00 2.86 H new ATOM 0 HE22 GLN A 12 -10.858 -2.350 2.958 1.00 2.86 H new ATOM 194 N VAL A 13 -5.370 -2.604 -0.260 1.00 0.44 N ATOM 195 CA VAL A 13 -4.249 -1.677 -0.274 1.00 0.42 C ATOM 196 C VAL A 13 -4.714 -0.401 -0.959 1.00 0.43 C ATOM 197 O VAL A 13 -4.498 0.698 -0.453 1.00 0.50 O ATOM 198 CB VAL A 13 -3.057 -2.365 -0.966 1.00 0.44 C ATOM 199 CG1 VAL A 13 -1.953 -1.397 -1.392 1.00 0.79 C ATOM 200 CG2 VAL A 13 -2.418 -3.383 -0.017 1.00 0.79 C ATOM 0 H VAL A 13 -5.257 -3.388 -0.902 1.00 0.44 H new ATOM 0 HA VAL A 13 -3.910 -1.402 0.725 1.00 0.42 H new ATOM 0 HB VAL A 13 -3.470 -2.834 -1.859 1.00 0.44 H new ATOM 0 HG11 VAL A 13 -1.147 -1.953 -1.872 1.00 0.79 H new ATOM 0 HG12 VAL A 13 -2.359 -0.668 -2.093 1.00 0.79 H new ATOM 0 HG13 VAL A 13 -1.565 -0.879 -0.515 1.00 0.79 H new ATOM 0 HG21 VAL A 13 -1.576 -3.865 -0.514 1.00 0.79 H new ATOM 0 HG22 VAL A 13 -2.067 -2.873 0.880 1.00 0.79 H new ATOM 0 HG23 VAL A 13 -3.156 -4.136 0.259 1.00 0.79 H new ATOM 210 N GLU A 14 -5.395 -0.551 -2.091 1.00 0.43 N ATOM 211 CA GLU A 14 -5.999 0.551 -2.806 1.00 0.46 C ATOM 212 C GLU A 14 -7.006 1.273 -1.917 1.00 0.49 C ATOM 213 O GLU A 14 -7.014 2.504 -1.870 1.00 0.56 O ATOM 214 CB GLU A 14 -6.586 0.009 -4.119 1.00 0.47 C ATOM 215 CG GLU A 14 -7.259 1.076 -4.992 1.00 1.79 C ATOM 216 CD GLU A 14 -8.732 1.344 -4.657 1.00 2.42 C ATOM 217 OE1 GLU A 14 -9.267 0.734 -3.709 1.00 3.27 O ATOM 218 OE2 GLU A 14 -9.312 2.201 -5.354 1.00 3.41 O ATOM 0 H GLU A 14 -5.541 -1.456 -2.537 1.00 0.43 H new ATOM 0 HA GLU A 14 -5.261 1.309 -3.070 1.00 0.46 H new ATOM 0 HB2 GLU A 14 -5.789 -0.465 -4.692 1.00 0.47 H new ATOM 0 HB3 GLU A 14 -7.315 -0.767 -3.886 1.00 0.47 H new ATOM 0 HG2 GLU A 14 -6.703 2.009 -4.895 1.00 1.79 H new ATOM 0 HG3 GLU A 14 -7.188 0.770 -6.036 1.00 1.79 H new ATOM 225 N TYR A 15 -7.801 0.517 -1.162 1.00 0.50 N ATOM 226 CA TYR A 15 -8.876 1.021 -0.340 1.00 0.55 C ATOM 227 C TYR A 15 -8.339 2.047 0.651 1.00 0.49 C ATOM 228 O TYR A 15 -8.975 3.067 0.856 1.00 0.49 O ATOM 229 CB TYR A 15 -9.583 -0.167 0.325 1.00 0.60 C ATOM 230 CG TYR A 15 -10.098 0.092 1.713 1.00 0.63 C ATOM 231 CD1 TYR A 15 -9.248 -0.145 2.806 1.00 0.63 C ATOM 232 CD2 TYR A 15 -11.375 0.638 1.909 1.00 0.93 C ATOM 233 CE1 TYR A 15 -9.641 0.226 4.094 1.00 0.65 C ATOM 234 CE2 TYR A 15 -11.780 1.000 3.203 1.00 1.01 C ATOM 235 CZ TYR A 15 -10.904 0.828 4.298 1.00 0.78 C ATOM 236 OH TYR A 15 -11.258 1.283 5.531 1.00 0.91 O ATOM 0 H TYR A 15 -7.703 -0.497 -1.111 1.00 0.50 H new ATOM 0 HA TYR A 15 -9.618 1.547 -0.941 1.00 0.55 H new ATOM 0 HB2 TYR A 15 -10.419 -0.471 -0.305 1.00 0.60 H new ATOM 0 HB3 TYR A 15 -8.890 -1.007 0.362 1.00 0.60 H new ATOM 0 HD1 TYR A 15 -8.288 -0.615 2.650 1.00 0.63 H new ATOM 0 HD2 TYR A 15 -12.041 0.779 1.071 1.00 0.93 H new ATOM 0 HE1 TYR A 15 -8.982 0.053 4.932 1.00 0.65 H new ATOM 0 HE2 TYR A 15 -12.766 1.412 3.362 1.00 1.01 H new ATOM 0 HH TYR A 15 -11.516 2.226 5.470 1.00 0.91 H new ATOM 246 N TYR A 16 -7.165 1.840 1.247 1.00 0.48 N ATOM 247 CA TYR A 16 -6.633 2.823 2.190 1.00 0.48 C ATOM 248 C TYR A 16 -6.489 4.224 1.588 1.00 0.53 C ATOM 249 O TYR A 16 -6.661 5.224 2.289 1.00 0.60 O ATOM 250 CB TYR A 16 -5.343 2.302 2.822 1.00 0.48 C ATOM 251 CG TYR A 16 -5.635 1.548 4.100 1.00 0.73 C ATOM 252 CD1 TYR A 16 -6.004 2.268 5.252 1.00 2.45 C ATOM 253 CD2 TYR A 16 -5.542 0.146 4.144 1.00 1.38 C ATOM 254 CE1 TYR A 16 -6.252 1.595 6.459 1.00 2.77 C ATOM 255 CE2 TYR A 16 -5.783 -0.534 5.350 1.00 1.33 C ATOM 256 CZ TYR A 16 -6.130 0.190 6.513 1.00 1.43 C ATOM 257 OH TYR A 16 -6.346 -0.459 7.690 1.00 1.82 O ATOM 0 H TYR A 16 -6.576 1.021 1.099 1.00 0.48 H new ATOM 0 HA TYR A 16 -7.366 2.949 2.987 1.00 0.48 H new ATOM 0 HB2 TYR A 16 -4.827 1.648 2.119 1.00 0.48 H new ATOM 0 HB3 TYR A 16 -4.673 3.136 3.032 1.00 0.48 H new ATOM 0 HD1 TYR A 16 -6.097 3.343 5.207 1.00 2.45 H new ATOM 0 HD2 TYR A 16 -5.286 -0.407 3.253 1.00 1.38 H new ATOM 0 HE1 TYR A 16 -6.535 2.150 7.342 1.00 2.77 H new ATOM 0 HE2 TYR A 16 -5.703 -1.610 5.388 1.00 1.33 H new ATOM 0 HH TYR A 16 -6.224 -1.423 7.559 1.00 1.82 H new ATOM 267 N PHE A 17 -6.201 4.316 0.291 1.00 0.58 N ATOM 268 CA PHE A 17 -6.108 5.595 -0.396 1.00 0.67 C ATOM 269 C PHE A 17 -7.477 6.043 -0.908 1.00 0.77 C ATOM 270 O PHE A 17 -7.769 7.236 -0.929 1.00 1.13 O ATOM 271 CB PHE A 17 -5.066 5.486 -1.514 1.00 0.74 C ATOM 272 CG PHE A 17 -3.691 5.246 -0.928 1.00 0.80 C ATOM 273 CD1 PHE A 17 -3.267 3.935 -0.635 1.00 0.84 C ATOM 274 CD2 PHE A 17 -2.894 6.342 -0.548 1.00 1.47 C ATOM 275 CE1 PHE A 17 -2.078 3.724 0.083 1.00 1.01 C ATOM 276 CE2 PHE A 17 -1.702 6.131 0.161 1.00 1.76 C ATOM 277 CZ PHE A 17 -1.310 4.824 0.498 1.00 1.38 C ATOM 0 H PHE A 17 -6.027 3.508 -0.307 1.00 0.58 H new ATOM 0 HA PHE A 17 -5.780 6.367 0.300 1.00 0.67 H new ATOM 0 HB2 PHE A 17 -5.329 4.671 -2.188 1.00 0.74 H new ATOM 0 HB3 PHE A 17 -5.062 6.401 -2.107 1.00 0.74 H new ATOM 0 HD1 PHE A 17 -3.856 3.091 -0.963 1.00 0.84 H new ATOM 0 HD2 PHE A 17 -3.200 7.346 -0.802 1.00 1.47 H new ATOM 0 HE1 PHE A 17 -1.756 2.720 0.315 1.00 1.01 H new ATOM 0 HE2 PHE A 17 -1.087 6.971 0.447 1.00 1.76 H new ATOM 0 HZ PHE A 17 -0.414 4.665 1.079 1.00 1.38 H new ATOM 287 N SER A 18 -8.310 5.093 -1.327 1.00 0.62 N ATOM 288 CA SER A 18 -9.557 5.336 -2.037 1.00 0.71 C ATOM 289 C SER A 18 -10.709 5.689 -1.082 1.00 0.64 C ATOM 290 O SER A 18 -11.651 6.384 -1.448 1.00 0.79 O ATOM 291 CB SER A 18 -9.843 4.077 -2.861 1.00 0.83 C ATOM 292 OG SER A 18 -10.435 4.411 -4.088 1.00 1.38 O ATOM 0 H SER A 18 -8.127 4.101 -1.175 1.00 0.62 H new ATOM 0 HA SER A 18 -9.466 6.204 -2.690 1.00 0.71 H new ATOM 0 HB2 SER A 18 -8.915 3.532 -3.036 1.00 0.83 H new ATOM 0 HB3 SER A 18 -10.502 3.413 -2.302 1.00 0.83 H new ATOM 0 HG SER A 18 -10.184 3.747 -4.764 1.00 1.38 H new ATOM 298 N ASP A 19 -10.610 5.258 0.176 1.00 0.51 N ATOM 299 CA ASP A 19 -11.560 5.462 1.271 1.00 0.47 C ATOM 300 C ASP A 19 -11.323 6.818 1.942 1.00 0.43 C ATOM 301 O ASP A 19 -11.732 7.041 3.077 1.00 0.46 O ATOM 302 CB ASP A 19 -11.326 4.310 2.265 1.00 0.50 C ATOM 303 CG ASP A 19 -12.301 4.225 3.440 1.00 0.62 C ATOM 304 OD1 ASP A 19 -13.517 4.355 3.191 1.00 1.92 O ATOM 305 OD2 ASP A 19 -11.829 3.892 4.559 1.00 1.95 O ATOM 0 H ASP A 19 -9.801 4.715 0.479 1.00 0.51 H new ATOM 0 HA ASP A 19 -12.588 5.464 0.910 1.00 0.47 H new ATOM 0 HB2 ASP A 19 -11.368 3.369 1.716 1.00 0.50 H new ATOM 0 HB3 ASP A 19 -10.316 4.401 2.664 1.00 0.50 H new ATOM 310 N SER A 20 -10.594 7.720 1.272 1.00 0.48 N ATOM 311 CA SER A 20 -10.045 8.940 1.851 1.00 0.53 C ATOM 312 C SER A 20 -9.464 8.706 3.247 1.00 0.48 C ATOM 313 O SER A 20 -9.505 9.589 4.104 1.00 0.59 O ATOM 314 CB SER A 20 -11.112 10.035 1.833 1.00 0.65 C ATOM 315 OG SER A 20 -11.286 10.473 0.501 1.00 1.23 O ATOM 0 H SER A 20 -10.367 7.612 0.284 1.00 0.48 H new ATOM 0 HA SER A 20 -9.204 9.271 1.242 1.00 0.53 H new ATOM 0 HB2 SER A 20 -12.052 9.654 2.232 1.00 0.65 H new ATOM 0 HB3 SER A 20 -10.810 10.868 2.469 1.00 0.65 H new ATOM 0 HG SER A 20 -11.969 11.175 0.474 1.00 1.23 H new ATOM 321 N ASN A 21 -8.847 7.541 3.474 1.00 0.42 N ATOM 322 CA ASN A 21 -8.292 7.230 4.781 1.00 0.43 C ATOM 323 C ASN A 21 -6.849 7.720 4.872 1.00 0.41 C ATOM 324 O ASN A 21 -6.391 8.046 5.957 1.00 0.49 O ATOM 325 CB ASN A 21 -8.431 5.736 5.095 1.00 0.54 C ATOM 326 CG ASN A 21 -8.963 5.529 6.511 1.00 0.92 C ATOM 327 OD1 ASN A 21 -8.436 6.065 7.479 1.00 1.66 O ATOM 328 ND2 ASN A 21 -10.039 4.770 6.661 1.00 1.97 N ATOM 0 H ASN A 21 -8.724 6.810 2.773 1.00 0.42 H new ATOM 0 HA ASN A 21 -8.861 7.759 5.545 1.00 0.43 H new ATOM 0 HB2 ASN A 21 -9.105 5.269 4.376 1.00 0.54 H new ATOM 0 HB3 ASN A 21 -7.463 5.246 4.990 1.00 0.54 H new ATOM 0 HD21 ASN A 21 -10.437 4.627 7.589 1.00 1.97 H new ATOM 0 HD22 ASN A 21 -10.469 4.329 5.848 1.00 1.97 H new ATOM 335 N PHE A 22 -6.142 7.871 3.747 1.00 0.42 N ATOM 336 CA PHE A 22 -4.803 8.430 3.712 1.00 0.46 C ATOM 337 C PHE A 22 -4.772 9.823 4.339 1.00 0.48 C ATOM 338 O PHE A 22 -3.954 10.043 5.228 1.00 0.54 O ATOM 339 CB PHE A 22 -4.261 8.368 2.276 1.00 0.56 C ATOM 340 CG PHE A 22 -3.477 9.573 1.818 1.00 0.64 C ATOM 341 CD1 PHE A 22 -2.319 9.987 2.498 1.00 1.92 C ATOM 342 CD2 PHE A 22 -3.963 10.326 0.739 1.00 1.86 C ATOM 343 CE1 PHE A 22 -1.671 11.172 2.114 1.00 2.09 C ATOM 344 CE2 PHE A 22 -3.333 11.518 0.376 1.00 2.19 C ATOM 345 CZ PHE A 22 -2.179 11.946 1.056 1.00 1.56 C ATOM 0 H PHE A 22 -6.495 7.603 2.829 1.00 0.42 H new ATOM 0 HA PHE A 22 -4.129 7.833 4.326 1.00 0.46 H new ATOM 0 HB2 PHE A 22 -3.624 7.488 2.186 1.00 0.56 H new ATOM 0 HB3 PHE A 22 -5.101 8.225 1.596 1.00 0.56 H new ATOM 0 HD1 PHE A 22 -1.929 9.396 3.313 1.00 1.92 H new ATOM 0 HD2 PHE A 22 -4.826 9.983 0.188 1.00 1.86 H new ATOM 0 HE1 PHE A 22 -0.779 11.490 2.633 1.00 2.09 H new ATOM 0 HE2 PHE A 22 -3.734 12.114 -0.431 1.00 2.19 H new ATOM 0 HZ PHE A 22 -1.686 12.863 0.768 1.00 1.56 H new ATOM 355 N PRO A 23 -5.626 10.785 3.953 1.00 0.51 N ATOM 356 CA PRO A 23 -5.552 12.097 4.557 1.00 0.66 C ATOM 357 C PRO A 23 -5.969 12.098 6.025 1.00 0.67 C ATOM 358 O PRO A 23 -5.677 13.056 6.737 1.00 0.82 O ATOM 359 CB PRO A 23 -6.457 13.005 3.726 1.00 0.77 C ATOM 360 CG PRO A 23 -7.458 12.028 3.117 1.00 0.63 C ATOM 361 CD PRO A 23 -6.624 10.767 2.900 1.00 0.45 C ATOM 0 HA PRO A 23 -4.520 12.448 4.557 1.00 0.66 H new ATOM 0 HB2 PRO A 23 -6.950 13.756 4.343 1.00 0.77 H new ATOM 0 HB3 PRO A 23 -5.897 13.540 2.959 1.00 0.77 H new ATOM 0 HG2 PRO A 23 -8.300 11.845 3.785 1.00 0.63 H new ATOM 0 HG3 PRO A 23 -7.870 12.405 2.181 1.00 0.63 H new ATOM 0 HD2 PRO A 23 -7.242 9.871 2.959 1.00 0.45 H new ATOM 0 HD3 PRO A 23 -6.157 10.768 1.915 1.00 0.45 H new ATOM 369 N ARG A 24 -6.668 11.062 6.483 1.00 0.59 N ATOM 370 CA ARG A 24 -7.085 10.974 7.866 1.00 0.64 C ATOM 371 C ARG A 24 -5.941 10.445 8.722 1.00 0.53 C ATOM 372 O ARG A 24 -5.674 10.974 9.799 1.00 0.71 O ATOM 373 CB ARG A 24 -8.317 10.065 7.940 1.00 0.86 C ATOM 374 CG ARG A 24 -8.998 10.203 9.306 1.00 1.05 C ATOM 375 CD ARG A 24 -9.751 8.929 9.712 1.00 1.36 C ATOM 376 NE ARG A 24 -11.164 8.931 9.305 1.00 2.09 N ATOM 377 CZ ARG A 24 -12.016 7.936 9.590 1.00 2.80 C ATOM 378 NH1 ARG A 24 -11.556 6.803 10.122 1.00 2.81 N ATOM 379 NH2 ARG A 24 -13.322 8.079 9.363 1.00 4.07 N ATOM 0 H ARG A 24 -6.955 10.271 5.907 1.00 0.59 H new ATOM 0 HA ARG A 24 -7.348 11.958 8.253 1.00 0.64 H new ATOM 0 HB2 ARG A 24 -9.019 10.327 7.148 1.00 0.86 H new ATOM 0 HB3 ARG A 24 -8.023 9.028 7.776 1.00 0.86 H new ATOM 0 HG2 ARG A 24 -8.248 10.436 10.062 1.00 1.05 H new ATOM 0 HG3 ARG A 24 -9.694 11.041 9.280 1.00 1.05 H new ATOM 0 HD2 ARG A 24 -9.254 8.066 9.269 1.00 1.36 H new ATOM 0 HD3 ARG A 24 -9.692 8.810 10.794 1.00 1.36 H new ATOM 0 HE ARG A 24 -11.514 9.731 8.778 1.00 2.09 H new ATOM 0 HH11 ARG A 24 -10.559 6.696 10.311 1.00 2.81 H new ATOM 0 HH12 ARG A 24 -12.201 6.043 10.340 1.00 2.81 H new ATOM 0 HH21 ARG A 24 -13.679 8.950 8.970 1.00 4.07 H new ATOM 0 HH22 ARG A 24 -13.964 7.317 9.582 1.00 4.07 H new ATOM 393 N ASP A 25 -5.302 9.361 8.296 1.00 0.46 N ATOM 394 CA ASP A 25 -4.395 8.647 9.162 1.00 0.49 C ATOM 395 C ASP A 25 -2.984 9.205 9.023 1.00 0.42 C ATOM 396 O ASP A 25 -2.292 9.011 8.025 1.00 0.39 O ATOM 397 CB ASP A 25 -4.431 7.143 8.899 1.00 0.71 C ATOM 398 CG ASP A 25 -3.678 6.392 10.000 1.00 1.99 C ATOM 399 OD1 ASP A 25 -3.140 7.071 10.909 1.00 3.53 O ATOM 400 OD2 ASP A 25 -3.628 5.149 9.916 1.00 2.59 O ATOM 0 H ASP A 25 -5.400 8.966 7.361 1.00 0.46 H new ATOM 0 HA ASP A 25 -4.722 8.795 10.191 1.00 0.49 H new ATOM 0 HB2 ASP A 25 -5.464 6.799 8.857 1.00 0.71 H new ATOM 0 HB3 ASP A 25 -3.983 6.926 7.929 1.00 0.71 H new ATOM 405 N LYS A 26 -2.541 9.850 10.098 1.00 0.44 N ATOM 406 CA LYS A 26 -1.185 10.344 10.292 1.00 0.51 C ATOM 407 C LYS A 26 -0.127 9.291 9.948 1.00 0.43 C ATOM 408 O LYS A 26 0.965 9.652 9.529 1.00 0.43 O ATOM 409 CB LYS A 26 -0.994 10.896 11.719 1.00 0.66 C ATOM 410 CG LYS A 26 -1.067 9.851 12.851 1.00 2.04 C ATOM 411 CD LYS A 26 -2.490 9.546 13.351 1.00 2.78 C ATOM 412 CE LYS A 26 -2.650 8.064 13.707 1.00 4.34 C ATOM 413 NZ LYS A 26 -1.820 7.668 14.862 1.00 5.20 N ATOM 0 H LYS A 26 -3.147 10.051 10.893 1.00 0.44 H new ATOM 0 HA LYS A 26 -1.041 11.168 9.593 1.00 0.51 H new ATOM 0 HB2 LYS A 26 -0.026 11.394 11.770 1.00 0.66 H new ATOM 0 HB3 LYS A 26 -1.754 11.656 11.900 1.00 0.66 H new ATOM 0 HG2 LYS A 26 -0.612 8.924 12.502 1.00 2.04 H new ATOM 0 HG3 LYS A 26 -0.468 10.203 13.691 1.00 2.04 H new ATOM 0 HD2 LYS A 26 -2.709 10.158 14.226 1.00 2.78 H new ATOM 0 HD3 LYS A 26 -3.214 9.818 12.583 1.00 2.78 H new ATOM 0 HE2 LYS A 26 -3.697 7.858 13.928 1.00 4.34 H new ATOM 0 HE3 LYS A 26 -2.381 7.455 12.844 1.00 4.34 H new ATOM 0 HZ1 LYS A 26 -1.964 6.658 15.063 1.00 5.20 H new ATOM 0 HZ2 LYS A 26 -0.818 7.838 14.644 1.00 5.20 H new ATOM 0 HZ3 LYS A 26 -2.093 8.228 15.694 1.00 5.20 H new ATOM 427 N PHE A 27 -0.436 8.005 10.108 1.00 0.38 N ATOM 428 CA PHE A 27 0.413 6.896 9.708 1.00 0.34 C ATOM 429 C PHE A 27 0.732 6.993 8.220 1.00 0.31 C ATOM 430 O PHE A 27 1.898 7.065 7.836 1.00 0.33 O ATOM 431 CB PHE A 27 -0.319 5.593 10.034 1.00 0.35 C ATOM 432 CG PHE A 27 0.530 4.353 9.886 1.00 0.35 C ATOM 433 CD1 PHE A 27 1.662 4.194 10.702 1.00 1.89 C ATOM 434 CD2 PHE A 27 0.191 3.359 8.949 1.00 1.84 C ATOM 435 CE1 PHE A 27 2.452 3.041 10.588 1.00 1.86 C ATOM 436 CE2 PHE A 27 0.980 2.203 8.840 1.00 1.88 C ATOM 437 CZ PHE A 27 2.105 2.039 9.666 1.00 0.44 C ATOM 0 H PHE A 27 -1.312 7.702 10.533 1.00 0.38 H new ATOM 0 HA PHE A 27 1.359 6.924 10.248 1.00 0.34 H new ATOM 0 HB2 PHE A 27 -0.692 5.645 11.057 1.00 0.35 H new ATOM 0 HB3 PHE A 27 -1.188 5.505 9.382 1.00 0.35 H new ATOM 0 HD1 PHE A 27 1.924 4.960 11.417 1.00 1.89 H new ATOM 0 HD2 PHE A 27 -0.674 3.485 8.315 1.00 1.84 H new ATOM 0 HE1 PHE A 27 3.328 2.923 11.209 1.00 1.86 H new ATOM 0 HE2 PHE A 27 0.722 1.439 8.121 1.00 1.88 H new ATOM 0 HZ PHE A 27 2.703 1.143 9.592 1.00 0.44 H new ATOM 447 N LEU A 28 -0.308 7.027 7.378 1.00 0.30 N ATOM 448 CA LEU A 28 -0.119 7.122 5.937 1.00 0.31 C ATOM 449 C LEU A 28 0.601 8.418 5.631 1.00 0.36 C ATOM 450 O LEU A 28 1.594 8.403 4.924 1.00 0.39 O ATOM 451 CB LEU A 28 -1.449 7.063 5.178 1.00 0.35 C ATOM 452 CG LEU A 28 -1.992 5.627 5.123 1.00 0.40 C ATOM 453 CD1 LEU A 28 -3.521 5.571 5.273 1.00 0.49 C ATOM 454 CD2 LEU A 28 -1.559 5.038 3.773 1.00 0.56 C ATOM 0 H LEU A 28 -1.283 6.990 7.674 1.00 0.30 H new ATOM 0 HA LEU A 28 0.473 6.269 5.606 1.00 0.31 H new ATOM 0 HB2 LEU A 28 -2.178 7.712 5.664 1.00 0.35 H new ATOM 0 HB3 LEU A 28 -1.310 7.442 4.165 1.00 0.35 H new ATOM 0 HG LEU A 28 -1.591 5.052 5.957 1.00 0.40 H new ATOM 0 HD11 LEU A 28 -3.853 4.534 5.227 1.00 0.49 H new ATOM 0 HD12 LEU A 28 -3.809 6.002 6.232 1.00 0.49 H new ATOM 0 HD13 LEU A 28 -3.987 6.137 4.466 1.00 0.49 H new ATOM 0 HD21 LEU A 28 -1.924 4.014 3.689 1.00 0.56 H new ATOM 0 HD22 LEU A 28 -1.974 5.639 2.964 1.00 0.56 H new ATOM 0 HD23 LEU A 28 -0.471 5.042 3.706 1.00 0.56 H new ATOM 466 N ARG A 29 0.123 9.537 6.173 1.00 0.46 N ATOM 467 CA ARG A 29 0.686 10.857 5.921 1.00 0.56 C ATOM 468 C ARG A 29 2.168 10.920 6.260 1.00 0.53 C ATOM 469 O ARG A 29 2.890 11.637 5.584 1.00 0.57 O ATOM 470 CB ARG A 29 -0.081 11.951 6.669 1.00 0.74 C ATOM 471 CG ARG A 29 -1.504 12.063 6.120 1.00 1.35 C ATOM 472 CD ARG A 29 -2.348 13.063 6.912 1.00 1.82 C ATOM 473 NE ARG A 29 -1.876 14.452 6.793 1.00 2.11 N ATOM 474 CZ ARG A 29 -2.172 15.290 5.790 1.00 2.21 C ATOM 475 NH1 ARG A 29 -2.808 14.844 4.706 1.00 3.11 N ATOM 476 NH2 ARG A 29 -1.832 16.577 5.871 1.00 2.82 N ATOM 0 H ARG A 29 -0.676 9.550 6.807 1.00 0.46 H new ATOM 0 HA ARG A 29 0.581 11.039 4.851 1.00 0.56 H new ATOM 0 HB2 ARG A 29 -0.111 11.722 7.734 1.00 0.74 H new ATOM 0 HB3 ARG A 29 0.435 12.905 6.562 1.00 0.74 H new ATOM 0 HG2 ARG A 29 -1.466 12.369 5.075 1.00 1.35 H new ATOM 0 HG3 ARG A 29 -1.981 11.084 6.148 1.00 1.35 H new ATOM 0 HD2 ARG A 29 -3.381 13.008 6.568 1.00 1.82 H new ATOM 0 HD3 ARG A 29 -2.346 12.776 7.963 1.00 1.82 H new ATOM 0 HE ARG A 29 -1.273 14.806 7.536 1.00 2.11 H new ATOM 0 HH11 ARG A 29 -3.071 13.861 4.638 1.00 3.11 H new ATOM 0 HH12 ARG A 29 -3.031 15.486 3.945 1.00 3.11 H new ATOM 0 HH21 ARG A 29 -1.346 16.925 6.697 1.00 2.82 H new ATOM 0 HH22 ARG A 29 -2.058 17.213 5.107 1.00 2.82 H new ATOM 490 N SER A 30 2.638 10.205 7.280 1.00 0.50 N ATOM 491 CA SER A 30 4.056 10.201 7.615 1.00 0.54 C ATOM 492 C SER A 30 4.879 9.644 6.462 1.00 0.50 C ATOM 493 O SER A 30 5.955 10.156 6.152 1.00 0.64 O ATOM 494 CB SER A 30 4.293 9.366 8.880 1.00 0.58 C ATOM 495 OG SER A 30 4.574 10.211 9.974 1.00 1.31 O ATOM 0 H SER A 30 2.058 9.624 7.885 1.00 0.50 H new ATOM 0 HA SER A 30 4.371 11.228 7.799 1.00 0.54 H new ATOM 0 HB2 SER A 30 3.413 8.760 9.095 1.00 0.58 H new ATOM 0 HB3 SER A 30 5.123 8.677 8.720 1.00 0.58 H new ATOM 0 HG SER A 30 4.722 9.669 10.777 1.00 1.31 H new ATOM 501 N GLU A 31 4.406 8.568 5.839 1.00 0.35 N ATOM 502 CA GLU A 31 5.163 7.961 4.762 1.00 0.34 C ATOM 503 C GLU A 31 4.994 8.785 3.491 1.00 0.33 C ATOM 504 O GLU A 31 5.968 9.093 2.811 1.00 0.37 O ATOM 505 CB GLU A 31 4.713 6.513 4.589 1.00 0.36 C ATOM 506 CG GLU A 31 5.790 5.657 3.926 1.00 1.07 C ATOM 507 CD GLU A 31 7.026 5.437 4.802 1.00 1.52 C ATOM 508 OE1 GLU A 31 7.847 6.379 4.905 1.00 2.41 O ATOM 509 OE2 GLU A 31 7.166 4.311 5.320 1.00 2.47 O ATOM 0 H GLU A 31 3.521 8.111 6.059 1.00 0.35 H new ATOM 0 HA GLU A 31 6.227 7.949 4.996 1.00 0.34 H new ATOM 0 HB2 GLU A 31 4.463 6.092 5.563 1.00 0.36 H new ATOM 0 HB3 GLU A 31 3.805 6.485 3.987 1.00 0.36 H new ATOM 0 HG2 GLU A 31 5.363 4.689 3.666 1.00 1.07 H new ATOM 0 HG3 GLU A 31 6.096 6.131 2.994 1.00 1.07 H new ATOM 516 N ALA A 32 3.760 9.202 3.213 1.00 0.35 N ATOM 517 CA ALA A 32 3.396 10.021 2.073 1.00 0.43 C ATOM 518 C ALA A 32 4.235 11.299 2.058 1.00 0.50 C ATOM 519 O ALA A 32 4.695 11.731 1.006 1.00 0.54 O ATOM 520 CB ALA A 32 1.898 10.322 2.163 1.00 0.58 C ATOM 0 H ALA A 32 2.961 8.966 3.802 1.00 0.35 H new ATOM 0 HA ALA A 32 3.596 9.497 1.138 1.00 0.43 H new ATOM 0 HB1 ALA A 32 1.599 10.938 1.315 1.00 0.58 H new ATOM 0 HB2 ALA A 32 1.338 9.387 2.148 1.00 0.58 H new ATOM 0 HB3 ALA A 32 1.689 10.855 3.090 1.00 0.58 H new ATOM 526 N ALA A 33 4.495 11.873 3.236 1.00 0.54 N ATOM 527 CA ALA A 33 5.258 13.098 3.420 1.00 0.65 C ATOM 528 C ALA A 33 6.701 13.001 2.914 1.00 0.63 C ATOM 529 O ALA A 33 7.367 14.027 2.807 1.00 0.71 O ATOM 530 CB ALA A 33 5.227 13.503 4.900 1.00 0.76 C ATOM 0 H ALA A 33 4.165 11.478 4.117 1.00 0.54 H new ATOM 0 HA ALA A 33 4.782 13.867 2.811 1.00 0.65 H new ATOM 0 HB1 ALA A 33 5.799 14.421 5.038 1.00 0.76 H new ATOM 0 HB2 ALA A 33 4.195 13.668 5.211 1.00 0.76 H new ATOM 0 HB3 ALA A 33 5.665 12.708 5.504 1.00 0.76 H new ATOM 536 N LYS A 34 7.201 11.815 2.550 1.00 0.60 N ATOM 537 CA LYS A 34 8.529 11.705 1.962 1.00 0.65 C ATOM 538 C LYS A 34 8.473 12.072 0.480 1.00 0.66 C ATOM 539 O LYS A 34 9.488 12.490 -0.068 1.00 0.78 O ATOM 540 CB LYS A 34 9.086 10.284 2.162 1.00 0.66 C ATOM 541 CG LYS A 34 10.217 10.240 3.198 1.00 0.78 C ATOM 542 CD LYS A 34 9.786 10.682 4.604 1.00 0.95 C ATOM 543 CE LYS A 34 8.736 9.764 5.245 1.00 2.06 C ATOM 544 NZ LYS A 34 9.257 8.408 5.516 1.00 3.19 N ATOM 0 H LYS A 34 6.707 10.929 2.653 1.00 0.60 H new ATOM 0 HA LYS A 34 9.202 12.402 2.462 1.00 0.65 H new ATOM 0 HB2 LYS A 34 8.280 9.622 2.479 1.00 0.66 H new ATOM 0 HB3 LYS A 34 9.454 9.904 1.209 1.00 0.66 H new ATOM 0 HG2 LYS A 34 10.610 9.225 3.251 1.00 0.78 H new ATOM 0 HG3 LYS A 34 11.032 10.880 2.860 1.00 0.78 H new ATOM 0 HD2 LYS A 34 10.664 10.720 5.248 1.00 0.95 H new ATOM 0 HD3 LYS A 34 9.386 11.695 4.550 1.00 0.95 H new ATOM 0 HE2 LYS A 34 8.390 10.209 6.178 1.00 2.06 H new ATOM 0 HE3 LYS A 34 7.871 9.692 4.586 1.00 2.06 H new ATOM 0 HZ1 LYS A 34 8.760 7.719 4.916 1.00 3.19 H new ATOM 0 HZ2 LYS A 34 10.275 8.379 5.306 1.00 3.19 H new ATOM 0 HZ3 LYS A 34 9.103 8.170 6.517 1.00 3.19 H new ATOM 558 N ASN A 35 7.318 11.952 -0.183 1.00 0.61 N ATOM 559 CA ASN A 35 7.158 12.442 -1.546 1.00 0.65 C ATOM 560 C ASN A 35 5.717 12.845 -1.840 1.00 0.68 C ATOM 561 O ASN A 35 5.164 12.391 -2.839 1.00 0.73 O ATOM 562 CB ASN A 35 7.645 11.378 -2.542 1.00 0.70 C ATOM 563 CG ASN A 35 8.202 12.007 -3.815 1.00 0.83 C ATOM 564 OD1 ASN A 35 9.373 11.853 -4.134 1.00 1.96 O ATOM 565 ND2 ASN A 35 7.396 12.751 -4.560 1.00 2.08 N ATOM 0 H ASN A 35 6.482 11.518 0.208 1.00 0.61 H new ATOM 0 HA ASN A 35 7.767 13.340 -1.657 1.00 0.65 H new ATOM 0 HB2 ASN A 35 8.415 10.766 -2.072 1.00 0.70 H new ATOM 0 HB3 ASN A 35 6.820 10.713 -2.796 1.00 0.70 H new ATOM 0 HD21 ASN A 35 7.751 13.199 -5.405 1.00 2.08 H new ATOM 0 HD22 ASN A 35 6.421 12.875 -4.288 1.00 2.08 H new ATOM 572 N VAL A 36 5.125 13.727 -1.029 1.00 0.85 N ATOM 573 CA VAL A 36 3.729 14.154 -1.141 1.00 0.97 C ATOM 574 C VAL A 36 2.772 12.991 -0.853 1.00 0.86 C ATOM 575 O VAL A 36 2.141 12.979 0.201 1.00 0.87 O ATOM 576 CB VAL A 36 3.499 14.899 -2.475 1.00 1.12 C ATOM 577 CG1 VAL A 36 2.050 14.868 -2.959 1.00 1.18 C ATOM 578 CG2 VAL A 36 3.957 16.353 -2.327 1.00 1.27 C ATOM 0 H VAL A 36 5.618 14.175 -0.256 1.00 0.85 H new ATOM 0 HA VAL A 36 3.496 14.887 -0.368 1.00 0.97 H new ATOM 0 HB VAL A 36 4.086 14.375 -3.229 1.00 1.12 H new ATOM 0 HG11 VAL A 36 1.969 15.412 -3.900 1.00 1.18 H new ATOM 0 HG12 VAL A 36 1.739 13.834 -3.109 1.00 1.18 H new ATOM 0 HG13 VAL A 36 1.407 15.336 -2.213 1.00 1.18 H new ATOM 0 HG21 VAL A 36 3.796 16.882 -3.266 1.00 1.27 H new ATOM 0 HG22 VAL A 36 3.384 16.836 -1.536 1.00 1.27 H new ATOM 0 HG23 VAL A 36 5.017 16.377 -2.074 1.00 1.27 H new ATOM 588 N ASP A 37 2.654 12.040 -1.781 1.00 0.81 N ATOM 589 CA ASP A 37 1.959 10.759 -1.625 1.00 0.77 C ATOM 590 C ASP A 37 2.406 9.802 -2.738 1.00 0.73 C ATOM 591 O ASP A 37 1.631 8.986 -3.230 1.00 0.81 O ATOM 592 CB ASP A 37 0.434 10.968 -1.657 1.00 0.92 C ATOM 593 CG ASP A 37 -0.344 9.701 -1.289 1.00 1.18 C ATOM 594 OD1 ASP A 37 0.123 8.979 -0.381 1.00 2.53 O ATOM 595 OD2 ASP A 37 -1.433 9.505 -1.886 1.00 2.12 O ATOM 0 H ASP A 37 3.061 12.147 -2.710 1.00 0.81 H new ATOM 0 HA ASP A 37 2.214 10.322 -0.660 1.00 0.77 H new ATOM 0 HB2 ASP A 37 0.166 11.767 -0.966 1.00 0.92 H new ATOM 0 HB3 ASP A 37 0.137 11.295 -2.653 1.00 0.92 H new ATOM 600 N ASN A 38 3.659 9.935 -3.193 1.00 0.63 N ATOM 601 CA ASN A 38 4.150 9.191 -4.346 1.00 0.69 C ATOM 602 C ASN A 38 5.083 8.055 -3.949 1.00 0.60 C ATOM 603 O ASN A 38 5.401 7.219 -4.789 1.00 0.89 O ATOM 604 CB ASN A 38 4.866 10.095 -5.361 1.00 0.74 C ATOM 605 CG ASN A 38 3.902 10.833 -6.276 1.00 1.38 C ATOM 606 OD1 ASN A 38 2.848 10.322 -6.633 1.00 2.27 O ATOM 607 ND2 ASN A 38 4.265 12.030 -6.716 1.00 1.97 N ATOM 0 H ASN A 38 4.350 10.557 -2.773 1.00 0.63 H new ATOM 0 HA ASN A 38 3.261 8.768 -4.815 1.00 0.69 H new ATOM 0 HB2 ASN A 38 5.479 10.820 -4.826 1.00 0.74 H new ATOM 0 HB3 ASN A 38 5.542 9.490 -5.965 1.00 0.74 H new ATOM 0 HD21 ASN A 38 3.663 12.540 -7.362 1.00 1.97 H new ATOM 0 HD22 ASN A 38 5.146 12.441 -6.408 1.00 1.97 H new ATOM 614 N TYR A 39 5.566 8.028 -2.709 1.00 0.45 N ATOM 615 CA TYR A 39 6.438 6.971 -2.239 1.00 0.72 C ATOM 616 C TYR A 39 5.875 6.536 -0.898 1.00 0.52 C ATOM 617 O TYR A 39 5.609 7.380 -0.045 1.00 0.57 O ATOM 618 CB TYR A 39 7.877 7.486 -2.059 1.00 1.10 C ATOM 619 CG TYR A 39 8.694 7.823 -3.302 1.00 1.67 C ATOM 620 CD1 TYR A 39 8.407 7.270 -4.565 1.00 3.01 C ATOM 621 CD2 TYR A 39 9.812 8.668 -3.167 1.00 2.34 C ATOM 622 CE1 TYR A 39 9.183 7.600 -5.688 1.00 3.67 C ATOM 623 CE2 TYR A 39 10.601 9.000 -4.282 1.00 3.12 C ATOM 624 CZ TYR A 39 10.280 8.475 -5.555 1.00 3.38 C ATOM 625 OH TYR A 39 11.021 8.796 -6.652 1.00 4.30 O ATOM 0 H TYR A 39 5.360 8.740 -2.008 1.00 0.45 H new ATOM 0 HA TYR A 39 6.478 6.149 -2.954 1.00 0.72 H new ATOM 0 HB2 TYR A 39 7.833 8.382 -1.440 1.00 1.10 H new ATOM 0 HB3 TYR A 39 8.429 6.735 -1.494 1.00 1.10 H new ATOM 0 HD1 TYR A 39 7.580 6.584 -4.671 1.00 3.01 H new ATOM 0 HD2 TYR A 39 10.066 9.066 -2.196 1.00 2.34 H new ATOM 0 HE1 TYR A 39 8.939 7.183 -6.654 1.00 3.67 H new ATOM 0 HE2 TYR A 39 11.452 9.655 -4.166 1.00 3.12 H new ATOM 0 HH TYR A 39 11.740 9.410 -6.393 1.00 4.30 H new ATOM 635 N ILE A 40 5.644 5.236 -0.735 1.00 0.44 N ATOM 636 CA ILE A 40 5.041 4.656 0.450 1.00 0.34 C ATOM 637 C ILE A 40 5.817 3.363 0.707 1.00 0.33 C ATOM 638 O ILE A 40 5.798 2.483 -0.154 1.00 0.35 O ATOM 639 CB ILE A 40 3.540 4.385 0.202 1.00 0.34 C ATOM 640 CG1 ILE A 40 2.747 5.613 -0.300 1.00 0.42 C ATOM 641 CG2 ILE A 40 2.903 3.886 1.510 1.00 0.44 C ATOM 642 CD1 ILE A 40 1.491 5.212 -1.077 1.00 0.42 C ATOM 0 H ILE A 40 5.879 4.543 -1.445 1.00 0.44 H new ATOM 0 HA ILE A 40 5.093 5.319 1.314 1.00 0.34 H new ATOM 0 HB ILE A 40 3.489 3.639 -0.591 1.00 0.34 H new ATOM 0 HG12 ILE A 40 2.463 6.233 0.551 1.00 0.42 H new ATOM 0 HG13 ILE A 40 3.388 6.221 -0.938 1.00 0.42 H new ATOM 0 HG21 ILE A 40 1.843 3.691 1.347 1.00 0.44 H new ATOM 0 HG22 ILE A 40 3.396 2.967 1.828 1.00 0.44 H new ATOM 0 HG23 ILE A 40 3.018 4.645 2.283 1.00 0.44 H new ATOM 0 HD11 ILE A 40 0.967 6.108 -1.409 1.00 0.42 H new ATOM 0 HD12 ILE A 40 1.774 4.615 -1.944 1.00 0.42 H new ATOM 0 HD13 ILE A 40 0.836 4.627 -0.432 1.00 0.42 H new ATOM 654 N SER A 41 6.534 3.248 1.830 1.00 0.36 N ATOM 655 CA SER A 41 7.311 2.061 2.122 1.00 0.39 C ATOM 656 C SER A 41 6.416 0.857 2.355 1.00 0.38 C ATOM 657 O SER A 41 5.424 0.916 3.087 1.00 0.36 O ATOM 658 CB SER A 41 8.234 2.247 3.328 1.00 0.47 C ATOM 659 OG SER A 41 9.134 1.154 3.309 1.00 1.42 O ATOM 0 H SER A 41 6.586 3.971 2.548 1.00 0.36 H new ATOM 0 HA SER A 41 7.932 1.885 1.243 1.00 0.39 H new ATOM 0 HB2 SER A 41 8.770 3.194 3.265 1.00 0.47 H new ATOM 0 HB3 SER A 41 7.663 2.265 4.256 1.00 0.47 H new ATOM 0 HG SER A 41 9.426 0.955 4.223 1.00 1.42 H new ATOM 665 N ILE A 42 6.863 -0.278 1.824 1.00 0.38 N ATOM 666 CA ILE A 42 6.360 -1.586 2.199 1.00 0.32 C ATOM 667 C ILE A 42 6.482 -1.817 3.703 1.00 0.29 C ATOM 668 O ILE A 42 5.772 -2.664 4.215 1.00 0.31 O ATOM 669 CB ILE A 42 7.029 -2.681 1.350 1.00 0.34 C ATOM 670 CG1 ILE A 42 6.434 -4.077 1.609 1.00 2.02 C ATOM 671 CG2 ILE A 42 8.560 -2.673 1.498 1.00 1.95 C ATOM 672 CD1 ILE A 42 7.225 -4.952 2.590 1.00 2.22 C ATOM 0 H ILE A 42 7.594 -0.310 1.113 1.00 0.38 H new ATOM 0 HA ILE A 42 5.293 -1.634 1.982 1.00 0.32 H new ATOM 0 HB ILE A 42 6.807 -2.439 0.311 1.00 0.34 H new ATOM 0 HG12 ILE A 42 5.420 -3.957 1.990 1.00 2.02 H new ATOM 0 HG13 ILE A 42 6.357 -4.604 0.658 1.00 2.02 H new ATOM 0 HG21 ILE A 42 8.989 -3.462 0.881 1.00 1.95 H new ATOM 0 HG22 ILE A 42 8.952 -1.708 1.177 1.00 1.95 H new ATOM 0 HG23 ILE A 42 8.826 -2.843 2.541 1.00 1.95 H new ATOM 0 HD11 ILE A 42 6.725 -5.914 2.705 1.00 2.22 H new ATOM 0 HD12 ILE A 42 8.232 -5.111 2.205 1.00 2.22 H new ATOM 0 HD13 ILE A 42 7.281 -4.454 3.558 1.00 2.22 H new ATOM 684 N ASP A 43 7.310 -1.075 4.442 1.00 0.32 N ATOM 685 CA ASP A 43 7.334 -1.197 5.898 1.00 0.34 C ATOM 686 C ASP A 43 5.987 -0.790 6.492 1.00 0.32 C ATOM 687 O ASP A 43 5.412 -1.502 7.309 1.00 0.36 O ATOM 688 CB ASP A 43 8.436 -0.325 6.505 1.00 0.40 C ATOM 689 CG ASP A 43 9.824 -0.801 6.100 1.00 0.98 C ATOM 690 OD1 ASP A 43 10.185 -1.930 6.491 1.00 1.96 O ATOM 691 OD2 ASP A 43 10.495 -0.034 5.375 1.00 1.98 O ATOM 0 H ASP A 43 7.964 -0.392 4.061 1.00 0.32 H new ATOM 0 HA ASP A 43 7.537 -2.241 6.137 1.00 0.34 H new ATOM 0 HB2 ASP A 43 8.299 0.708 6.185 1.00 0.40 H new ATOM 0 HB3 ASP A 43 8.351 -0.337 7.592 1.00 0.40 H new ATOM 696 N VAL A 44 5.463 0.361 6.076 1.00 0.29 N ATOM 697 CA VAL A 44 4.216 0.920 6.561 1.00 0.30 C ATOM 698 C VAL A 44 3.079 0.010 6.119 1.00 0.29 C ATOM 699 O VAL A 44 2.227 -0.374 6.918 1.00 0.31 O ATOM 700 CB VAL A 44 4.109 2.375 6.051 1.00 0.35 C ATOM 701 CG1 VAL A 44 2.724 2.785 5.546 1.00 0.45 C ATOM 702 CG2 VAL A 44 4.548 3.311 7.178 1.00 0.42 C ATOM 0 H VAL A 44 5.913 0.944 5.370 1.00 0.29 H new ATOM 0 HA VAL A 44 4.166 0.968 7.649 1.00 0.30 H new ATOM 0 HB VAL A 44 4.759 2.448 5.179 1.00 0.35 H new ATOM 0 HG11 VAL A 44 2.751 3.822 5.210 1.00 0.45 H new ATOM 0 HG12 VAL A 44 2.435 2.142 4.715 1.00 0.45 H new ATOM 0 HG13 VAL A 44 1.998 2.684 6.353 1.00 0.45 H new ATOM 0 HG21 VAL A 44 4.480 4.345 6.839 1.00 0.42 H new ATOM 0 HG22 VAL A 44 3.899 3.169 8.042 1.00 0.42 H new ATOM 0 HG23 VAL A 44 5.578 3.087 7.457 1.00 0.42 H new ATOM 712 N ILE A 45 3.082 -0.372 4.846 1.00 0.31 N ATOM 713 CA ILE A 45 2.029 -1.187 4.261 1.00 0.36 C ATOM 714 C ILE A 45 2.051 -2.584 4.880 1.00 0.39 C ATOM 715 O ILE A 45 1.013 -3.203 5.074 1.00 0.49 O ATOM 716 CB ILE A 45 2.225 -1.248 2.742 1.00 0.41 C ATOM 717 CG1 ILE A 45 2.351 0.152 2.104 1.00 0.45 C ATOM 718 CG2 ILE A 45 1.047 -1.968 2.073 1.00 0.48 C ATOM 719 CD1 ILE A 45 2.957 0.094 0.701 1.00 0.49 C ATOM 0 H ILE A 45 3.821 -0.122 4.189 1.00 0.31 H new ATOM 0 HA ILE A 45 1.055 -0.744 4.468 1.00 0.36 H new ATOM 0 HB ILE A 45 3.155 -1.793 2.580 1.00 0.41 H new ATOM 0 HG12 ILE A 45 1.366 0.617 2.054 1.00 0.45 H new ATOM 0 HG13 ILE A 45 2.970 0.785 2.740 1.00 0.45 H new ATOM 0 HG21 ILE A 45 1.205 -2.001 0.995 1.00 0.48 H new ATOM 0 HG22 ILE A 45 0.974 -2.984 2.460 1.00 0.48 H new ATOM 0 HG23 ILE A 45 0.123 -1.431 2.288 1.00 0.48 H new ATOM 0 HD11 ILE A 45 3.026 1.102 0.292 1.00 0.49 H new ATOM 0 HD12 ILE A 45 3.953 -0.345 0.753 1.00 0.49 H new ATOM 0 HD13 ILE A 45 2.324 -0.516 0.056 1.00 0.49 H new ATOM 731 N ALA A 46 3.230 -3.103 5.199 1.00 0.36 N ATOM 732 CA ALA A 46 3.350 -4.380 5.877 1.00 0.43 C ATOM 733 C ALA A 46 2.838 -4.248 7.302 1.00 0.47 C ATOM 734 O ALA A 46 2.252 -5.182 7.839 1.00 0.67 O ATOM 735 CB ALA A 46 4.805 -4.851 5.910 1.00 0.37 C ATOM 0 H ALA A 46 4.122 -2.652 4.995 1.00 0.36 H new ATOM 0 HA ALA A 46 2.758 -5.114 5.330 1.00 0.43 H new ATOM 0 HB1 ALA A 46 4.865 -5.810 6.424 1.00 0.37 H new ATOM 0 HB2 ALA A 46 5.175 -4.962 4.891 1.00 0.37 H new ATOM 0 HB3 ALA A 46 5.413 -4.117 6.439 1.00 0.37 H new ATOM 741 N SER A 47 3.093 -3.103 7.930 1.00 0.36 N ATOM 742 CA SER A 47 2.740 -2.880 9.325 1.00 0.42 C ATOM 743 C SER A 47 1.249 -2.536 9.478 1.00 0.54 C ATOM 744 O SER A 47 0.694 -2.653 10.568 1.00 1.08 O ATOM 745 CB SER A 47 3.666 -1.784 9.867 1.00 0.42 C ATOM 746 OG SER A 47 3.541 -1.612 11.262 1.00 0.55 O ATOM 0 H SER A 47 3.549 -2.307 7.485 1.00 0.36 H new ATOM 0 HA SER A 47 2.883 -3.789 9.910 1.00 0.42 H new ATOM 0 HB2 SER A 47 4.699 -2.034 9.626 1.00 0.42 H new ATOM 0 HB3 SER A 47 3.441 -0.842 9.366 1.00 0.42 H new ATOM 0 HG SER A 47 4.151 -0.905 11.560 1.00 0.55 H new ATOM 752 N PHE A 48 0.584 -2.153 8.384 1.00 0.35 N ATOM 753 CA PHE A 48 -0.675 -1.413 8.343 1.00 0.48 C ATOM 754 C PHE A 48 -1.768 -1.877 9.310 1.00 0.74 C ATOM 755 O PHE A 48 -2.476 -1.037 9.855 1.00 1.57 O ATOM 756 CB PHE A 48 -1.209 -1.449 6.905 1.00 0.46 C ATOM 757 CG PHE A 48 -1.742 -0.161 6.334 1.00 0.44 C ATOM 758 CD1 PHE A 48 -2.323 0.828 7.149 1.00 1.69 C ATOM 759 CD2 PHE A 48 -1.676 0.015 4.941 1.00 1.69 C ATOM 760 CE1 PHE A 48 -2.851 1.984 6.562 1.00 1.76 C ATOM 761 CE2 PHE A 48 -2.213 1.164 4.352 1.00 1.71 C ATOM 762 CZ PHE A 48 -2.808 2.134 5.169 1.00 0.72 C ATOM 0 H PHE A 48 0.933 -2.365 7.449 1.00 0.35 H new ATOM 0 HA PHE A 48 -0.433 -0.405 8.679 1.00 0.48 H new ATOM 0 HB2 PHE A 48 -0.407 -1.799 6.256 1.00 0.46 H new ATOM 0 HB3 PHE A 48 -2.004 -2.193 6.859 1.00 0.46 H new ATOM 0 HD1 PHE A 48 -2.361 0.696 8.220 1.00 1.69 H new ATOM 0 HD2 PHE A 48 -1.209 -0.739 4.324 1.00 1.69 H new ATOM 0 HE1 PHE A 48 -3.289 2.755 7.178 1.00 1.76 H new ATOM 0 HE2 PHE A 48 -2.170 1.302 3.282 1.00 1.71 H new ATOM 0 HZ PHE A 48 -3.242 3.014 4.717 1.00 0.72 H new ATOM 772 N ASN A 49 -1.965 -3.197 9.422 1.00 1.04 N ATOM 773 CA ASN A 49 -3.014 -3.948 10.126 1.00 1.34 C ATOM 774 C ASN A 49 -3.652 -4.903 9.124 1.00 1.22 C ATOM 775 O ASN A 49 -3.234 -6.050 9.023 1.00 1.08 O ATOM 776 CB ASN A 49 -4.094 -3.124 10.856 1.00 1.85 C ATOM 777 CG ASN A 49 -3.640 -2.692 12.247 1.00 2.29 C ATOM 778 OD1 ASN A 49 -3.574 -3.518 13.149 1.00 2.42 O ATOM 779 ND2 ASN A 49 -3.347 -1.419 12.454 1.00 3.53 N ATOM 0 H ASN A 49 -1.316 -3.840 8.968 1.00 1.04 H new ATOM 0 HA ASN A 49 -2.514 -4.465 10.945 1.00 1.34 H new ATOM 0 HB2 ASN A 49 -4.339 -2.242 10.264 1.00 1.85 H new ATOM 0 HB3 ASN A 49 -5.006 -3.715 10.940 1.00 1.85 H new ATOM 0 HD21 ASN A 49 -3.058 -1.106 13.381 1.00 3.53 H new ATOM 0 HD22 ASN A 49 -3.410 -0.750 11.687 1.00 3.53 H new ATOM 786 N ARG A 50 -4.654 -4.451 8.361 1.00 1.32 N ATOM 787 CA ARG A 50 -5.380 -5.298 7.407 1.00 1.28 C ATOM 788 C ARG A 50 -4.450 -5.950 6.389 1.00 1.09 C ATOM 789 O ARG A 50 -4.656 -7.093 6.016 1.00 1.06 O ATOM 790 CB ARG A 50 -6.507 -4.510 6.719 1.00 1.48 C ATOM 791 CG ARG A 50 -7.828 -4.798 7.436 1.00 0.97 C ATOM 792 CD ARG A 50 -8.957 -3.900 6.926 1.00 1.04 C ATOM 793 NE ARG A 50 -10.199 -4.160 7.668 1.00 1.53 N ATOM 794 CZ ARG A 50 -11.186 -3.278 7.880 1.00 2.07 C ATOM 795 NH1 ARG A 50 -11.124 -2.052 7.358 1.00 3.02 N ATOM 796 NH2 ARG A 50 -12.235 -3.636 8.622 1.00 2.64 N ATOM 0 H ARG A 50 -4.985 -3.487 8.388 1.00 1.32 H new ATOM 0 HA ARG A 50 -5.835 -6.109 7.976 1.00 1.28 H new ATOM 0 HB2 ARG A 50 -6.290 -3.442 6.745 1.00 1.48 H new ATOM 0 HB3 ARG A 50 -6.579 -4.795 5.669 1.00 1.48 H new ATOM 0 HG2 ARG A 50 -8.101 -5.843 7.290 1.00 0.97 H new ATOM 0 HG3 ARG A 50 -7.700 -4.648 8.508 1.00 0.97 H new ATOM 0 HD2 ARG A 50 -8.674 -2.853 7.035 1.00 1.04 H new ATOM 0 HD3 ARG A 50 -9.118 -4.077 5.863 1.00 1.04 H new ATOM 0 HE ARG A 50 -10.321 -5.095 8.056 1.00 1.53 H new ATOM 0 HH11 ARG A 50 -10.321 -1.779 6.792 1.00 3.02 H new ATOM 0 HH12 ARG A 50 -11.880 -1.388 7.525 1.00 3.02 H new ATOM 0 HH21 ARG A 50 -12.281 -4.573 9.022 1.00 2.64 H new ATOM 0 HH22 ARG A 50 -12.991 -2.973 8.789 1.00 2.64 H new ATOM 810 N MET A 51 -3.413 -5.257 5.943 1.00 0.96 N ATOM 811 CA MET A 51 -2.404 -5.846 5.080 1.00 0.75 C ATOM 812 C MET A 51 -1.627 -6.896 5.865 1.00 0.57 C ATOM 813 O MET A 51 -1.476 -8.025 5.416 1.00 0.45 O ATOM 814 CB MET A 51 -1.442 -4.775 4.575 1.00 0.69 C ATOM 815 CG MET A 51 -2.047 -3.888 3.489 1.00 1.11 C ATOM 816 SD MET A 51 -3.330 -2.744 4.051 1.00 2.04 S ATOM 817 CE MET A 51 -4.763 -3.522 3.288 1.00 1.65 C ATOM 0 H MET A 51 -3.249 -4.276 6.168 1.00 0.96 H new ATOM 0 HA MET A 51 -2.895 -6.307 4.223 1.00 0.75 H new ATOM 0 HB2 MET A 51 -1.130 -4.151 5.413 1.00 0.69 H new ATOM 0 HB3 MET A 51 -0.545 -5.256 4.185 1.00 0.69 H new ATOM 0 HG2 MET A 51 -1.246 -3.311 3.026 1.00 1.11 H new ATOM 0 HG3 MET A 51 -2.468 -4.528 2.713 1.00 1.11 H new ATOM 0 HE1 MET A 51 -5.617 -2.846 3.344 1.00 1.65 H new ATOM 0 HE2 MET A 51 -4.543 -3.744 2.244 1.00 1.65 H new ATOM 0 HE3 MET A 51 -4.998 -4.447 3.814 1.00 1.65 H new ATOM 827 N LYS A 52 -1.138 -6.542 7.053 1.00 0.68 N ATOM 828 CA LYS A 52 -0.304 -7.413 7.867 1.00 0.73 C ATOM 829 C LYS A 52 -0.996 -8.751 8.109 1.00 0.64 C ATOM 830 O LYS A 52 -0.354 -9.795 8.146 1.00 0.70 O ATOM 831 CB LYS A 52 0.007 -6.684 9.182 1.00 1.07 C ATOM 832 CG LYS A 52 1.250 -7.252 9.877 1.00 1.32 C ATOM 833 CD LYS A 52 0.852 -8.129 11.059 1.00 2.12 C ATOM 834 CE LYS A 52 2.129 -8.632 11.741 1.00 2.43 C ATOM 835 NZ LYS A 52 1.841 -9.352 12.998 1.00 3.42 N ATOM 0 H LYS A 52 -1.314 -5.632 7.478 1.00 0.68 H new ATOM 0 HA LYS A 52 0.630 -7.636 7.351 1.00 0.73 H new ATOM 0 HB2 LYS A 52 0.158 -5.623 8.981 1.00 1.07 H new ATOM 0 HB3 LYS A 52 -0.850 -6.763 9.851 1.00 1.07 H new ATOM 0 HG2 LYS A 52 1.836 -7.835 9.166 1.00 1.32 H new ATOM 0 HG3 LYS A 52 1.886 -6.436 10.221 1.00 1.32 H new ATOM 0 HD2 LYS A 52 0.244 -7.562 11.764 1.00 2.12 H new ATOM 0 HD3 LYS A 52 0.247 -8.970 10.720 1.00 2.12 H new ATOM 0 HE2 LYS A 52 2.667 -9.292 11.061 1.00 2.43 H new ATOM 0 HE3 LYS A 52 2.785 -7.787 11.950 1.00 2.43 H new ATOM 0 HZ1 LYS A 52 2.733 -9.674 13.425 1.00 3.42 H new ATOM 0 HZ2 LYS A 52 1.351 -8.715 13.658 1.00 3.42 H new ATOM 0 HZ3 LYS A 52 1.237 -10.174 12.797 1.00 3.42 H new ATOM 849 N THR A 53 -2.312 -8.715 8.290 1.00 0.67 N ATOM 850 CA THR A 53 -3.129 -9.874 8.584 1.00 0.66 C ATOM 851 C THR A 53 -3.477 -10.617 7.302 1.00 0.60 C ATOM 852 O THR A 53 -3.189 -11.804 7.200 1.00 0.65 O ATOM 853 CB THR A 53 -4.373 -9.426 9.354 1.00 0.80 C ATOM 854 OG1 THR A 53 -4.974 -8.306 8.742 1.00 0.88 O ATOM 855 CG2 THR A 53 -3.948 -9.018 10.761 1.00 0.89 C ATOM 0 H THR A 53 -2.850 -7.850 8.233 1.00 0.67 H new ATOM 0 HA THR A 53 -2.577 -10.574 9.211 1.00 0.66 H new ATOM 0 HB THR A 53 -5.087 -10.250 9.370 1.00 0.80 H new ATOM 0 HG1 THR A 53 -4.459 -7.500 8.957 1.00 0.88 H new ATOM 0 HG21 THR A 53 -4.822 -8.695 11.326 1.00 0.89 H new ATOM 0 HG22 THR A 53 -3.486 -9.868 11.262 1.00 0.89 H new ATOM 0 HG23 THR A 53 -3.232 -8.199 10.701 1.00 0.89 H new ATOM 863 N ILE A 54 -4.065 -9.944 6.309 1.00 0.60 N ATOM 864 CA ILE A 54 -4.507 -10.623 5.089 1.00 0.61 C ATOM 865 C ILE A 54 -3.320 -11.300 4.399 1.00 0.54 C ATOM 866 O ILE A 54 -3.471 -12.364 3.805 1.00 0.60 O ATOM 867 CB ILE A 54 -5.251 -9.642 4.157 1.00 0.75 C ATOM 868 CG1 ILE A 54 -6.571 -9.181 4.804 1.00 0.87 C ATOM 869 CG2 ILE A 54 -5.568 -10.282 2.792 1.00 0.85 C ATOM 870 CD1 ILE A 54 -7.180 -7.961 4.100 1.00 2.16 C ATOM 0 H ILE A 54 -4.244 -8.940 6.325 1.00 0.60 H new ATOM 0 HA ILE A 54 -5.217 -11.406 5.353 1.00 0.61 H new ATOM 0 HB ILE A 54 -4.591 -8.788 4.001 1.00 0.75 H new ATOM 0 HG12 ILE A 54 -7.287 -10.002 4.784 1.00 0.87 H new ATOM 0 HG13 ILE A 54 -6.393 -8.939 5.852 1.00 0.87 H new ATOM 0 HG21 ILE A 54 -6.092 -9.561 2.165 1.00 0.85 H new ATOM 0 HG22 ILE A 54 -4.639 -10.580 2.305 1.00 0.85 H new ATOM 0 HG23 ILE A 54 -6.198 -11.159 2.939 1.00 0.85 H new ATOM 0 HD11 ILE A 54 -8.108 -7.680 4.597 1.00 2.16 H new ATOM 0 HD12 ILE A 54 -6.478 -7.128 4.143 1.00 2.16 H new ATOM 0 HD13 ILE A 54 -7.387 -8.208 3.059 1.00 2.16 H new ATOM 882 N SER A 55 -2.138 -10.690 4.466 1.00 0.48 N ATOM 883 CA SER A 55 -0.938 -11.275 3.887 1.00 0.47 C ATOM 884 C SER A 55 -0.287 -12.252 4.845 1.00 0.59 C ATOM 885 O SER A 55 0.285 -13.238 4.395 1.00 0.75 O ATOM 886 CB SER A 55 0.065 -10.186 3.477 1.00 0.50 C ATOM 887 OG SER A 55 0.202 -10.150 2.074 1.00 1.98 O ATOM 0 H SER A 55 -1.989 -9.788 4.918 1.00 0.48 H new ATOM 0 HA SER A 55 -1.240 -11.821 2.993 1.00 0.47 H new ATOM 0 HB2 SER A 55 -0.272 -9.216 3.841 1.00 0.50 H new ATOM 0 HB3 SER A 55 1.033 -10.381 3.939 1.00 0.50 H new ATOM 0 HG SER A 55 0.432 -9.240 1.791 1.00 1.98 H new ATOM 893 N THR A 56 -0.289 -11.949 6.144 1.00 0.63 N ATOM 894 CA THR A 56 0.440 -12.706 7.160 1.00 0.78 C ATOM 895 C THR A 56 1.973 -12.668 6.978 1.00 0.89 C ATOM 896 O THR A 56 2.697 -13.004 7.913 1.00 1.10 O ATOM 897 CB THR A 56 -0.164 -14.120 7.242 1.00 0.84 C ATOM 898 OG1 THR A 56 -1.502 -14.015 7.680 1.00 0.76 O ATOM 899 CG2 THR A 56 0.535 -15.046 8.237 1.00 1.14 C ATOM 0 H THR A 56 -0.806 -11.157 6.525 1.00 0.63 H new ATOM 0 HA THR A 56 0.310 -12.226 8.130 1.00 0.78 H new ATOM 0 HB THR A 56 -0.056 -14.545 6.244 1.00 0.84 H new ATOM 0 HG1 THR A 56 -1.859 -13.136 7.433 1.00 0.76 H new ATOM 0 HG21 THR A 56 0.047 -16.021 8.232 1.00 1.14 H new ATOM 0 HG22 THR A 56 1.581 -15.162 7.953 1.00 1.14 H new ATOM 0 HG23 THR A 56 0.476 -14.616 9.237 1.00 1.14 H new ATOM 907 N ASP A 57 2.501 -12.228 5.831 1.00 0.82 N ATOM 908 CA ASP A 57 3.899 -12.311 5.471 1.00 0.88 C ATOM 909 C ASP A 57 4.200 -11.139 4.536 1.00 0.79 C ATOM 910 O ASP A 57 3.412 -10.821 3.642 1.00 0.67 O ATOM 911 CB ASP A 57 4.141 -13.652 4.769 1.00 0.97 C ATOM 912 CG ASP A 57 5.593 -13.852 4.345 1.00 1.04 C ATOM 913 OD1 ASP A 57 6.415 -12.950 4.626 1.00 2.20 O ATOM 914 OD2 ASP A 57 5.858 -14.881 3.694 1.00 1.34 O ATOM 0 H ASP A 57 1.933 -11.788 5.106 1.00 0.82 H new ATOM 0 HA ASP A 57 4.550 -12.257 6.344 1.00 0.88 H new ATOM 0 HB2 ASP A 57 3.849 -14.463 5.436 1.00 0.97 H new ATOM 0 HB3 ASP A 57 3.500 -13.716 3.890 1.00 0.97 H new ATOM 919 N LEU A 58 5.350 -10.502 4.733 1.00 0.86 N ATOM 920 CA LEU A 58 5.825 -9.403 3.907 1.00 0.82 C ATOM 921 C LEU A 58 6.045 -9.844 2.466 1.00 0.77 C ATOM 922 O LEU A 58 6.027 -9.027 1.560 1.00 0.69 O ATOM 923 CB LEU A 58 7.115 -8.787 4.475 1.00 0.98 C ATOM 924 CG LEU A 58 6.904 -8.057 5.812 1.00 1.04 C ATOM 925 CD1 LEU A 58 7.085 -8.979 7.022 1.00 1.25 C ATOM 926 CD2 LEU A 58 7.901 -6.903 5.945 1.00 1.36 C ATOM 0 H LEU A 58 5.990 -10.743 5.489 1.00 0.86 H new ATOM 0 HA LEU A 58 5.047 -8.639 3.918 1.00 0.82 H new ATOM 0 HB2 LEU A 58 7.856 -9.575 4.612 1.00 0.98 H new ATOM 0 HB3 LEU A 58 7.526 -8.087 3.748 1.00 0.98 H new ATOM 0 HG LEU A 58 5.877 -7.692 5.804 1.00 1.04 H new ATOM 0 HD11 LEU A 58 6.925 -8.412 7.939 1.00 1.25 H new ATOM 0 HD12 LEU A 58 6.364 -9.795 6.969 1.00 1.25 H new ATOM 0 HD13 LEU A 58 8.096 -9.388 7.020 1.00 1.25 H new ATOM 0 HD21 LEU A 58 7.743 -6.393 6.895 1.00 1.36 H new ATOM 0 HD22 LEU A 58 8.918 -7.294 5.908 1.00 1.36 H new ATOM 0 HD23 LEU A 58 7.754 -6.199 5.126 1.00 1.36 H new ATOM 938 N GLN A 59 6.240 -11.131 2.223 1.00 0.84 N ATOM 939 CA GLN A 59 6.452 -11.659 0.895 1.00 0.87 C ATOM 940 C GLN A 59 5.176 -11.504 0.083 1.00 0.70 C ATOM 941 O GLN A 59 5.214 -10.992 -1.033 1.00 0.66 O ATOM 942 CB GLN A 59 6.884 -13.117 1.013 1.00 1.08 C ATOM 943 CG GLN A 59 7.220 -13.701 -0.365 1.00 1.19 C ATOM 944 CD GLN A 59 7.950 -15.036 -0.265 1.00 1.61 C ATOM 945 OE1 GLN A 59 7.431 -16.074 -0.654 1.00 1.94 O ATOM 946 NE2 GLN A 59 9.184 -15.027 0.225 1.00 3.17 N ATOM 0 H GLN A 59 6.255 -11.842 2.954 1.00 0.84 H new ATOM 0 HA GLN A 59 7.239 -11.112 0.377 1.00 0.87 H new ATOM 0 HB2 GLN A 59 7.754 -13.191 1.666 1.00 1.08 H new ATOM 0 HB3 GLN A 59 6.088 -13.700 1.475 1.00 1.08 H new ATOM 0 HG2 GLN A 59 6.300 -13.834 -0.935 1.00 1.19 H new ATOM 0 HG3 GLN A 59 7.837 -12.992 -0.917 1.00 1.19 H new ATOM 0 HE21 GLN A 59 9.600 -14.152 0.544 1.00 3.17 H new ATOM 0 HE22 GLN A 59 9.716 -15.895 0.282 1.00 3.17 H new ATOM 955 N LEU A 60 4.033 -11.925 0.630 1.00 0.65 N ATOM 956 CA LEU A 60 2.758 -11.787 -0.039 1.00 0.57 C ATOM 957 C LEU A 60 2.402 -10.316 -0.189 1.00 0.42 C ATOM 958 O LEU A 60 1.793 -9.952 -1.189 1.00 0.43 O ATOM 959 CB LEU A 60 1.684 -12.539 0.755 1.00 0.65 C ATOM 960 CG LEU A 60 1.546 -14.011 0.350 1.00 1.27 C ATOM 961 CD1 LEU A 60 2.749 -14.853 0.782 1.00 3.59 C ATOM 962 CD2 LEU A 60 0.274 -14.591 0.973 1.00 2.24 C ATOM 0 H LEU A 60 3.976 -12.369 1.547 1.00 0.65 H new ATOM 0 HA LEU A 60 2.818 -12.219 -1.038 1.00 0.57 H new ATOM 0 HB2 LEU A 60 1.922 -12.483 1.817 1.00 0.65 H new ATOM 0 HB3 LEU A 60 0.725 -12.040 0.617 1.00 0.65 H new ATOM 0 HG LEU A 60 1.495 -14.047 -0.738 1.00 1.27 H new ATOM 0 HD11 LEU A 60 2.600 -15.887 0.471 1.00 3.59 H new ATOM 0 HD12 LEU A 60 3.653 -14.461 0.317 1.00 3.59 H new ATOM 0 HD13 LEU A 60 2.851 -14.812 1.866 1.00 3.59 H new ATOM 0 HD21 LEU A 60 0.173 -15.638 0.687 1.00 2.24 H new ATOM 0 HD22 LEU A 60 0.334 -14.516 2.059 1.00 2.24 H new ATOM 0 HD23 LEU A 60 -0.592 -14.033 0.618 1.00 2.24 H new ATOM 974 N ILE A 61 2.785 -9.463 0.760 1.00 0.38 N ATOM 975 CA ILE A 61 2.507 -8.037 0.637 1.00 0.33 C ATOM 976 C ILE A 61 3.350 -7.441 -0.495 1.00 0.33 C ATOM 977 O ILE A 61 2.879 -6.606 -1.266 1.00 0.33 O ATOM 978 CB ILE A 61 2.687 -7.329 1.999 1.00 0.46 C ATOM 979 CG1 ILE A 61 1.440 -6.496 2.333 1.00 0.62 C ATOM 980 CG2 ILE A 61 3.929 -6.439 2.124 1.00 0.60 C ATOM 981 CD1 ILE A 61 1.169 -5.363 1.335 1.00 1.01 C ATOM 0 H ILE A 61 3.281 -9.731 1.610 1.00 0.38 H new ATOM 0 HA ILE A 61 1.465 -7.878 0.361 1.00 0.33 H new ATOM 0 HB ILE A 61 2.831 -8.142 2.711 1.00 0.46 H new ATOM 0 HG12 ILE A 61 0.572 -7.155 2.366 1.00 0.62 H new ATOM 0 HG13 ILE A 61 1.555 -6.070 3.330 1.00 0.62 H new ATOM 0 HG21 ILE A 61 3.958 -5.992 3.118 1.00 0.60 H new ATOM 0 HG22 ILE A 61 4.825 -7.041 1.971 1.00 0.60 H new ATOM 0 HG23 ILE A 61 3.889 -5.651 1.372 1.00 0.60 H new ATOM 0 HD11 ILE A 61 0.274 -4.819 1.636 1.00 1.01 H new ATOM 0 HD12 ILE A 61 2.019 -4.681 1.319 1.00 1.01 H new ATOM 0 HD13 ILE A 61 1.021 -5.782 0.340 1.00 1.01 H new ATOM 993 N THR A 62 4.603 -7.872 -0.615 1.00 0.39 N ATOM 994 CA THR A 62 5.505 -7.350 -1.632 1.00 0.40 C ATOM 995 C THR A 62 5.035 -7.821 -3.001 1.00 0.39 C ATOM 996 O THR A 62 5.061 -7.054 -3.961 1.00 0.41 O ATOM 997 CB THR A 62 6.954 -7.760 -1.327 1.00 0.51 C ATOM 998 OG1 THR A 62 7.398 -7.089 -0.168 1.00 1.25 O ATOM 999 CG2 THR A 62 7.925 -7.396 -2.453 1.00 1.13 C ATOM 0 H THR A 62 5.017 -8.586 -0.015 1.00 0.39 H new ATOM 0 HA THR A 62 5.488 -6.260 -1.629 1.00 0.40 H new ATOM 0 HB THR A 62 6.947 -8.843 -1.203 1.00 0.51 H new ATOM 0 HG1 THR A 62 7.048 -7.543 0.627 1.00 1.25 H new ATOM 0 HG21 THR A 62 8.933 -7.710 -2.180 1.00 1.13 H new ATOM 0 HG22 THR A 62 7.623 -7.901 -3.371 1.00 1.13 H new ATOM 0 HG23 THR A 62 7.911 -6.318 -2.611 1.00 1.13 H new ATOM 1007 N GLU A 63 4.572 -9.065 -3.106 1.00 0.42 N ATOM 1008 CA GLU A 63 4.042 -9.558 -4.365 1.00 0.48 C ATOM 1009 C GLU A 63 2.779 -8.792 -4.708 1.00 0.45 C ATOM 1010 O GLU A 63 2.598 -8.390 -5.855 1.00 0.50 O ATOM 1011 CB GLU A 63 3.755 -11.059 -4.284 1.00 0.59 C ATOM 1012 CG GLU A 63 3.400 -11.602 -5.677 1.00 0.77 C ATOM 1013 CD GLU A 63 2.677 -12.947 -5.624 1.00 0.97 C ATOM 1014 OE1 GLU A 63 2.650 -13.571 -4.541 1.00 2.40 O ATOM 1015 OE2 GLU A 63 2.075 -13.320 -6.657 1.00 1.62 O ATOM 0 H GLU A 63 4.555 -9.740 -2.341 1.00 0.42 H new ATOM 0 HA GLU A 63 4.783 -9.404 -5.149 1.00 0.48 H new ATOM 0 HB2 GLU A 63 4.626 -11.584 -3.891 1.00 0.59 H new ATOM 0 HB3 GLU A 63 2.933 -11.244 -3.592 1.00 0.59 H new ATOM 0 HG2 GLU A 63 2.771 -10.877 -6.195 1.00 0.77 H new ATOM 0 HG3 GLU A 63 4.313 -11.709 -6.263 1.00 0.77 H new ATOM 1022 N ALA A 64 1.916 -8.566 -3.720 1.00 0.41 N ATOM 1023 CA ALA A 64 0.671 -7.848 -3.958 1.00 0.43 C ATOM 1024 C ALA A 64 0.971 -6.482 -4.572 1.00 0.40 C ATOM 1025 O ALA A 64 0.352 -6.079 -5.554 1.00 0.46 O ATOM 1026 CB ALA A 64 -0.091 -7.689 -2.651 1.00 0.43 C ATOM 0 H ALA A 64 2.056 -8.868 -2.756 1.00 0.41 H new ATOM 0 HA ALA A 64 0.054 -8.416 -4.654 1.00 0.43 H new ATOM 0 HB1 ALA A 64 -1.021 -7.151 -2.835 1.00 0.43 H new ATOM 0 HB2 ALA A 64 -0.316 -8.673 -2.239 1.00 0.43 H new ATOM 0 HB3 ALA A 64 0.517 -7.129 -1.941 1.00 0.43 H new ATOM 1032 N LEU A 65 1.955 -5.779 -4.009 1.00 0.34 N ATOM 1033 CA LEU A 65 2.392 -4.497 -4.529 1.00 0.32 C ATOM 1034 C LEU A 65 2.933 -4.662 -5.944 1.00 0.34 C ATOM 1035 O LEU A 65 2.655 -3.835 -6.809 1.00 0.37 O ATOM 1036 CB LEU A 65 3.443 -3.886 -3.595 1.00 0.30 C ATOM 1037 CG LEU A 65 2.835 -3.295 -2.314 1.00 0.31 C ATOM 1038 CD1 LEU A 65 3.953 -2.938 -1.332 1.00 0.39 C ATOM 1039 CD2 LEU A 65 2.049 -2.017 -2.618 1.00 0.33 C ATOM 0 H LEU A 65 2.466 -6.088 -3.182 1.00 0.34 H new ATOM 0 HA LEU A 65 1.543 -3.815 -4.574 1.00 0.32 H new ATOM 0 HB2 LEU A 65 4.171 -4.651 -3.326 1.00 0.30 H new ATOM 0 HB3 LEU A 65 3.985 -3.104 -4.128 1.00 0.30 H new ATOM 0 HG LEU A 65 2.165 -4.042 -1.887 1.00 0.31 H new ATOM 0 HD11 LEU A 65 3.520 -2.519 -0.424 1.00 0.39 H new ATOM 0 HD12 LEU A 65 4.519 -3.836 -1.083 1.00 0.39 H new ATOM 0 HD13 LEU A 65 4.618 -2.205 -1.789 1.00 0.39 H new ATOM 0 HD21 LEU A 65 1.629 -1.619 -1.694 1.00 0.33 H new ATOM 0 HD22 LEU A 65 2.715 -1.277 -3.062 1.00 0.33 H new ATOM 0 HD23 LEU A 65 1.242 -2.243 -3.315 1.00 0.33 H new ATOM 1051 N LYS A 66 3.707 -5.716 -6.206 1.00 0.35 N ATOM 1052 CA LYS A 66 4.267 -5.971 -7.532 1.00 0.39 C ATOM 1053 C LYS A 66 3.164 -6.183 -8.567 1.00 0.42 C ATOM 1054 O LYS A 66 3.306 -5.773 -9.713 1.00 0.44 O ATOM 1055 CB LYS A 66 5.247 -7.148 -7.470 1.00 0.44 C ATOM 1056 CG LYS A 66 6.138 -7.159 -8.716 1.00 0.71 C ATOM 1057 CD LYS A 66 7.204 -8.253 -8.609 1.00 1.20 C ATOM 1058 CE LYS A 66 8.095 -8.285 -9.856 1.00 1.83 C ATOM 1059 NZ LYS A 66 8.896 -7.048 -10.012 1.00 3.08 N ATOM 0 H LYS A 66 3.962 -6.414 -5.507 1.00 0.35 H new ATOM 0 HA LYS A 66 4.826 -5.093 -7.856 1.00 0.39 H new ATOM 0 HB2 LYS A 66 5.863 -7.071 -6.574 1.00 0.44 H new ATOM 0 HB3 LYS A 66 4.696 -8.086 -7.399 1.00 0.44 H new ATOM 0 HG2 LYS A 66 5.528 -7.324 -9.604 1.00 0.71 H new ATOM 0 HG3 LYS A 66 6.617 -6.187 -8.835 1.00 0.71 H new ATOM 0 HD2 LYS A 66 7.818 -8.081 -7.725 1.00 1.20 H new ATOM 0 HD3 LYS A 66 6.722 -9.222 -8.478 1.00 1.20 H new ATOM 0 HE2 LYS A 66 8.765 -9.143 -9.798 1.00 1.83 H new ATOM 0 HE3 LYS A 66 7.473 -8.425 -10.740 1.00 1.83 H new ATOM 0 HZ1 LYS A 66 9.578 -7.171 -10.788 1.00 3.08 H new ATOM 0 HZ2 LYS A 66 8.265 -6.251 -10.230 1.00 3.08 H new ATOM 0 HZ3 LYS A 66 9.409 -6.853 -9.128 1.00 3.08 H new ATOM 1073 N LYS A 67 2.054 -6.794 -8.162 1.00 0.48 N ATOM 1074 CA LYS A 67 0.880 -7.032 -8.987 1.00 0.50 C ATOM 1075 C LYS A 67 -0.136 -5.918 -8.724 1.00 0.50 C ATOM 1076 O LYS A 67 -1.319 -6.202 -8.598 1.00 0.61 O ATOM 1077 CB LYS A 67 0.313 -8.425 -8.633 1.00 0.54 C ATOM 1078 CG LYS A 67 0.923 -9.535 -9.493 1.00 0.90 C ATOM 1079 CD LYS A 67 0.562 -10.902 -8.901 1.00 1.10 C ATOM 1080 CE LYS A 67 0.936 -12.031 -9.866 1.00 1.74 C ATOM 1081 NZ LYS A 67 0.883 -13.353 -9.202 1.00 2.18 N ATOM 0 H LYS A 67 1.947 -7.150 -7.212 1.00 0.48 H new ATOM 0 HA LYS A 67 1.125 -7.021 -10.049 1.00 0.50 H new ATOM 0 HB2 LYS A 67 0.505 -8.636 -7.581 1.00 0.54 H new ATOM 0 HB3 LYS A 67 -0.769 -8.419 -8.765 1.00 0.54 H new ATOM 0 HG2 LYS A 67 0.553 -9.461 -10.516 1.00 0.90 H new ATOM 0 HG3 LYS A 67 2.006 -9.421 -9.537 1.00 0.90 H new ATOM 0 HD2 LYS A 67 1.082 -11.041 -7.953 1.00 1.10 H new ATOM 0 HD3 LYS A 67 -0.506 -10.940 -8.687 1.00 1.10 H new ATOM 0 HE2 LYS A 67 0.256 -12.023 -10.718 1.00 1.74 H new ATOM 0 HE3 LYS A 67 1.939 -11.859 -10.257 1.00 1.74 H new ATOM 0 HZ1 LYS A 67 1.255 -14.080 -9.846 1.00 2.18 H new ATOM 0 HZ2 LYS A 67 1.459 -13.330 -8.336 1.00 2.18 H new ATOM 0 HZ3 LYS A 67 -0.102 -13.579 -8.956 1.00 2.18 H new ATOM 1095 N SER A 68 0.299 -4.658 -8.621 1.00 0.56 N ATOM 1096 CA SER A 68 -0.605 -3.563 -8.312 1.00 0.63 C ATOM 1097 C SER A 68 -1.675 -3.357 -9.394 1.00 0.61 C ATOM 1098 O SER A 68 -1.565 -3.854 -10.512 1.00 0.77 O ATOM 1099 CB SER A 68 0.157 -2.262 -8.026 1.00 0.80 C ATOM 1100 OG SER A 68 1.405 -2.175 -8.689 1.00 2.18 O ATOM 0 H SER A 68 1.272 -4.379 -8.748 1.00 0.56 H new ATOM 0 HA SER A 68 -1.131 -3.848 -7.401 1.00 0.63 H new ATOM 0 HB2 SER A 68 -0.462 -1.416 -8.324 1.00 0.80 H new ATOM 0 HB3 SER A 68 0.320 -2.175 -6.952 1.00 0.80 H new ATOM 0 HG SER A 68 2.079 -2.678 -8.185 1.00 2.18 H new ATOM 1106 N THR A 69 -2.718 -2.604 -9.030 1.00 0.67 N ATOM 1107 CA THR A 69 -3.948 -2.448 -9.798 1.00 0.58 C ATOM 1108 C THR A 69 -4.107 -0.988 -10.217 1.00 0.72 C ATOM 1109 O THR A 69 -3.769 -0.607 -11.334 1.00 0.95 O ATOM 1110 CB THR A 69 -5.127 -3.020 -8.982 1.00 0.61 C ATOM 1111 OG1 THR A 69 -6.330 -2.917 -9.692 1.00 0.73 O ATOM 1112 CG2 THR A 69 -5.347 -2.406 -7.582 1.00 0.85 C ATOM 0 H THR A 69 -2.725 -2.069 -8.161 1.00 0.67 H new ATOM 0 HA THR A 69 -3.919 -3.017 -10.727 1.00 0.58 H new ATOM 0 HB THR A 69 -4.834 -4.058 -8.823 1.00 0.61 H new ATOM 0 HG1 THR A 69 -7.060 -3.288 -9.154 1.00 0.73 H new ATOM 0 HG21 THR A 69 -6.201 -2.886 -7.104 1.00 0.85 H new ATOM 0 HG22 THR A 69 -4.456 -2.561 -6.973 1.00 0.85 H new ATOM 0 HG23 THR A 69 -5.539 -1.337 -7.679 1.00 0.85 H new ATOM 1120 N ARG A 70 -4.559 -0.131 -9.300 1.00 0.74 N ATOM 1121 CA ARG A 70 -4.658 1.298 -9.526 1.00 0.89 C ATOM 1122 C ARG A 70 -3.403 2.009 -9.029 1.00 0.77 C ATOM 1123 O ARG A 70 -3.364 3.241 -9.033 1.00 0.77 O ATOM 1124 CB ARG A 70 -5.923 1.830 -8.827 1.00 1.09 C ATOM 1125 CG ARG A 70 -6.869 2.480 -9.835 1.00 1.81 C ATOM 1126 CD ARG A 70 -6.249 3.773 -10.375 1.00 3.35 C ATOM 1127 NE ARG A 70 -7.082 4.382 -11.417 1.00 4.23 N ATOM 1128 CZ ARG A 70 -7.199 3.913 -12.667 1.00 4.92 C ATOM 1129 NH1 ARG A 70 -6.484 2.855 -13.061 1.00 5.37 N ATOM 1130 NH2 ARG A 70 -8.033 4.494 -13.529 1.00 5.88 N ATOM 0 H ARG A 70 -4.868 -0.420 -8.372 1.00 0.74 H new ATOM 0 HA ARG A 70 -4.737 1.497 -10.595 1.00 0.89 H new ATOM 0 HB2 ARG A 70 -6.433 1.012 -8.318 1.00 1.09 H new ATOM 0 HB3 ARG A 70 -5.644 2.556 -8.064 1.00 1.09 H new ATOM 0 HG2 ARG A 70 -7.068 1.791 -10.656 1.00 1.81 H new ATOM 0 HG3 ARG A 70 -7.827 2.696 -9.361 1.00 1.81 H new ATOM 0 HD2 ARG A 70 -6.114 4.481 -9.557 1.00 3.35 H new ATOM 0 HD3 ARG A 70 -5.259 3.561 -10.779 1.00 3.35 H new ATOM 0 HE ARG A 70 -7.609 5.221 -11.174 1.00 4.23 H new ATOM 0 HH11 ARG A 70 -5.845 2.400 -12.409 1.00 5.37 H new ATOM 0 HH12 ARG A 70 -6.577 2.503 -14.014 1.00 5.37 H new ATOM 0 HH21 ARG A 70 -8.586 5.300 -13.239 1.00 5.88 H new ATOM 0 HH22 ARG A 70 -8.118 4.133 -14.479 1.00 5.88 H new ATOM 1144 N LEU A 71 -2.394 1.262 -8.569 1.00 0.72 N ATOM 1145 CA LEU A 71 -1.169 1.836 -8.083 1.00 0.61 C ATOM 1146 C LEU A 71 -0.053 1.180 -8.879 1.00 0.57 C ATOM 1147 O LEU A 71 -0.322 0.366 -9.760 1.00 0.76 O ATOM 1148 CB LEU A 71 -1.040 1.697 -6.550 1.00 0.57 C ATOM 1149 CG LEU A 71 -2.193 1.060 -5.753 1.00 0.99 C ATOM 1150 CD1 LEU A 71 -1.816 1.126 -4.272 1.00 1.11 C ATOM 1151 CD2 LEU A 71 -3.538 1.780 -5.923 1.00 1.69 C ATOM 0 H LEU A 71 -2.419 0.243 -8.530 1.00 0.72 H new ATOM 0 HA LEU A 71 -1.129 2.914 -8.236 1.00 0.61 H new ATOM 0 HB2 LEU A 71 -0.141 1.115 -6.348 1.00 0.57 H new ATOM 0 HB3 LEU A 71 -0.872 2.694 -6.143 1.00 0.57 H new ATOM 0 HG LEU A 71 -2.324 0.044 -6.126 1.00 0.99 H new ATOM 0 HD11 LEU A 71 -2.612 0.682 -3.674 1.00 1.11 H new ATOM 0 HD12 LEU A 71 -0.889 0.576 -4.108 1.00 1.11 H new ATOM 0 HD13 LEU A 71 -1.678 2.166 -3.978 1.00 1.11 H new ATOM 0 HD21 LEU A 71 -4.300 1.272 -5.331 1.00 1.69 H new ATOM 0 HD22 LEU A 71 -3.444 2.812 -5.585 1.00 1.69 H new ATOM 0 HD23 LEU A 71 -3.827 1.768 -6.974 1.00 1.69 H new ATOM 1163 N GLN A 72 1.189 1.559 -8.621 1.00 0.46 N ATOM 1164 CA GLN A 72 2.312 1.086 -9.393 1.00 0.46 C ATOM 1165 C GLN A 72 3.508 1.130 -8.446 1.00 0.42 C ATOM 1166 O GLN A 72 3.813 2.180 -7.881 1.00 0.37 O ATOM 1167 CB GLN A 72 2.441 1.989 -10.634 1.00 0.46 C ATOM 1168 CG GLN A 72 3.178 1.319 -11.796 1.00 1.57 C ATOM 1169 CD GLN A 72 4.638 1.094 -11.447 1.00 3.19 C ATOM 1170 OE1 GLN A 72 5.316 2.027 -11.024 1.00 3.88 O ATOM 1171 NE2 GLN A 72 5.116 -0.135 -11.573 1.00 4.57 N ATOM 0 H GLN A 72 1.440 2.202 -7.870 1.00 0.46 H new ATOM 0 HA GLN A 72 2.216 0.068 -9.771 1.00 0.46 H new ATOM 0 HB2 GLN A 72 1.445 2.283 -10.966 1.00 0.46 H new ATOM 0 HB3 GLN A 72 2.968 2.902 -10.357 1.00 0.46 H new ATOM 0 HG2 GLN A 72 2.704 0.366 -12.032 1.00 1.57 H new ATOM 0 HG3 GLN A 72 3.104 1.942 -12.688 1.00 1.57 H new ATOM 0 HE21 GLN A 72 4.518 -0.881 -11.929 1.00 4.57 H new ATOM 0 HE22 GLN A 72 6.082 -0.336 -11.314 1.00 4.57 H new ATOM 1180 N VAL A 73 4.121 -0.022 -8.186 1.00 0.41 N ATOM 1181 CA VAL A 73 5.271 -0.134 -7.303 1.00 0.36 C ATOM 1182 C VAL A 73 6.544 -0.061 -8.138 1.00 0.43 C ATOM 1183 O VAL A 73 6.623 -0.630 -9.229 1.00 0.59 O ATOM 1184 CB VAL A 73 5.178 -1.416 -6.450 1.00 0.34 C ATOM 1185 CG1 VAL A 73 5.503 -2.686 -7.236 1.00 0.68 C ATOM 1186 CG2 VAL A 73 6.106 -1.380 -5.231 1.00 0.87 C ATOM 0 H VAL A 73 3.827 -0.912 -8.589 1.00 0.41 H new ATOM 0 HA VAL A 73 5.290 0.695 -6.596 1.00 0.36 H new ATOM 0 HB VAL A 73 4.137 -1.444 -6.128 1.00 0.34 H new ATOM 0 HG11 VAL A 73 5.420 -3.552 -6.579 1.00 0.68 H new ATOM 0 HG12 VAL A 73 4.803 -2.790 -8.065 1.00 0.68 H new ATOM 0 HG13 VAL A 73 6.519 -2.623 -7.626 1.00 0.68 H new ATOM 0 HG21 VAL A 73 6.001 -2.306 -4.666 1.00 0.87 H new ATOM 0 HG22 VAL A 73 7.139 -1.273 -5.563 1.00 0.87 H new ATOM 0 HG23 VAL A 73 5.840 -0.535 -4.596 1.00 0.87 H new ATOM 1196 N SER A 74 7.555 0.618 -7.607 1.00 0.42 N ATOM 1197 CA SER A 74 8.907 0.518 -8.116 1.00 0.57 C ATOM 1198 C SER A 74 9.395 -0.918 -8.018 1.00 0.88 C ATOM 1199 O SER A 74 8.927 -1.702 -7.196 1.00 1.01 O ATOM 1200 CB SER A 74 9.833 1.487 -7.371 1.00 0.99 C ATOM 1201 OG SER A 74 10.768 2.094 -8.246 1.00 1.31 O ATOM 0 H SER A 74 7.455 1.251 -6.813 1.00 0.42 H new ATOM 0 HA SER A 74 8.917 0.803 -9.168 1.00 0.57 H new ATOM 0 HB2 SER A 74 9.237 2.258 -6.883 1.00 0.99 H new ATOM 0 HB3 SER A 74 10.365 0.951 -6.585 1.00 0.99 H new ATOM 0 HG SER A 74 11.341 2.706 -7.739 1.00 1.31 H new ATOM 1207 N GLU A 75 10.390 -1.242 -8.833 1.00 1.22 N ATOM 1208 CA GLU A 75 11.025 -2.542 -8.893 1.00 1.78 C ATOM 1209 C GLU A 75 11.631 -2.915 -7.541 1.00 1.54 C ATOM 1210 O GLU A 75 11.760 -4.100 -7.246 1.00 1.90 O ATOM 1211 CB GLU A 75 12.097 -2.562 -9.996 1.00 2.39 C ATOM 1212 CG GLU A 75 11.523 -2.389 -11.414 1.00 2.87 C ATOM 1213 CD GLU A 75 11.419 -0.938 -11.913 1.00 2.96 C ATOM 1214 OE1 GLU A 75 11.512 -0.004 -11.079 1.00 3.36 O ATOM 1215 OE2 GLU A 75 11.222 -0.786 -13.137 1.00 3.58 O ATOM 0 H GLU A 75 10.789 -0.576 -9.495 1.00 1.22 H new ATOM 0 HA GLU A 75 10.265 -3.285 -9.136 1.00 1.78 H new ATOM 0 HB2 GLU A 75 12.818 -1.767 -9.805 1.00 2.39 H new ATOM 0 HB3 GLU A 75 12.641 -3.505 -9.946 1.00 2.39 H new ATOM 0 HG2 GLU A 75 12.146 -2.951 -12.110 1.00 2.87 H new ATOM 0 HG3 GLU A 75 10.530 -2.837 -11.442 1.00 2.87 H new ATOM 1222 N ASP A 76 11.988 -1.927 -6.710 1.00 1.12 N ATOM 1223 CA ASP A 76 12.584 -2.208 -5.407 1.00 1.03 C ATOM 1224 C ASP A 76 11.532 -2.765 -4.448 1.00 0.84 C ATOM 1225 O ASP A 76 11.851 -3.413 -3.453 1.00 0.92 O ATOM 1226 CB ASP A 76 13.218 -0.940 -4.819 1.00 1.13 C ATOM 1227 CG ASP A 76 14.459 -1.286 -3.992 1.00 1.80 C ATOM 1228 OD1 ASP A 76 14.304 -1.821 -2.871 1.00 3.10 O ATOM 1229 OD2 ASP A 76 15.568 -1.020 -4.497 1.00 2.28 O ATOM 0 H ASP A 76 11.874 -0.935 -6.919 1.00 1.12 H new ATOM 0 HA ASP A 76 13.365 -2.956 -5.542 1.00 1.03 H new ATOM 0 HB2 ASP A 76 13.491 -0.257 -5.624 1.00 1.13 H new ATOM 0 HB3 ASP A 76 12.492 -0.421 -4.193 1.00 1.13 H new ATOM 1234 N GLY A 77 10.253 -2.459 -4.704 1.00 0.65 N ATOM 1235 CA GLY A 77 9.189 -2.857 -3.793 1.00 0.56 C ATOM 1236 C GLY A 77 9.168 -1.996 -2.532 1.00 0.54 C ATOM 1237 O GLY A 77 8.461 -2.319 -1.583 1.00 0.96 O ATOM 0 H GLY A 77 9.939 -1.943 -5.526 1.00 0.65 H new ATOM 0 HA2 GLY A 77 8.228 -2.780 -4.301 1.00 0.56 H new ATOM 0 HA3 GLY A 77 9.320 -3.903 -3.516 1.00 0.56 H new ATOM 1241 N LYS A 78 9.921 -0.890 -2.511 1.00 0.39 N ATOM 1242 CA LYS A 78 10.019 0.008 -1.363 1.00 0.37 C ATOM 1243 C LYS A 78 9.199 1.262 -1.580 1.00 0.33 C ATOM 1244 O LYS A 78 9.050 2.038 -0.644 1.00 0.35 O ATOM 1245 CB LYS A 78 11.478 0.401 -1.103 1.00 0.48 C ATOM 1246 CG LYS A 78 12.379 -0.809 -0.885 1.00 1.09 C ATOM 1247 CD LYS A 78 12.208 -1.508 0.466 1.00 1.39 C ATOM 1248 CE LYS A 78 12.572 -2.990 0.322 1.00 2.07 C ATOM 1249 NZ LYS A 78 13.804 -3.194 -0.476 1.00 2.95 N ATOM 0 H LYS A 78 10.487 -0.592 -3.306 1.00 0.39 H new ATOM 0 HA LYS A 78 9.628 -0.527 -0.498 1.00 0.37 H new ATOM 0 HB2 LYS A 78 11.851 0.980 -1.948 1.00 0.48 H new ATOM 0 HB3 LYS A 78 11.526 1.048 -0.227 1.00 0.48 H new ATOM 0 HG2 LYS A 78 12.189 -1.532 -1.678 1.00 1.09 H new ATOM 0 HG3 LYS A 78 13.417 -0.493 -0.985 1.00 1.09 H new ATOM 0 HD2 LYS A 78 12.845 -1.037 1.215 1.00 1.39 H new ATOM 0 HD3 LYS A 78 11.180 -1.407 0.813 1.00 1.39 H new ATOM 0 HE2 LYS A 78 12.707 -3.426 1.312 1.00 2.07 H new ATOM 0 HE3 LYS A 78 11.745 -3.520 -0.150 1.00 2.07 H new ATOM 0 HZ1 LYS A 78 14.075 -4.198 -0.446 1.00 2.95 H new ATOM 0 HZ2 LYS A 78 13.630 -2.911 -1.462 1.00 2.95 H new ATOM 0 HZ3 LYS A 78 14.573 -2.616 -0.081 1.00 2.95 H new ATOM 1263 N MET A 79 8.670 1.492 -2.780 1.00 0.34 N ATOM 1264 CA MET A 79 7.785 2.621 -2.971 1.00 0.34 C ATOM 1265 C MET A 79 6.693 2.237 -3.943 1.00 0.35 C ATOM 1266 O MET A 79 6.958 1.534 -4.912 1.00 0.39 O ATOM 1267 CB MET A 79 8.556 3.834 -3.512 1.00 0.45 C ATOM 1268 CG MET A 79 9.561 4.431 -2.523 1.00 1.36 C ATOM 1269 SD MET A 79 11.198 3.659 -2.463 1.00 2.12 S ATOM 1270 CE MET A 79 11.736 4.312 -0.861 1.00 2.83 C ATOM 0 H MET A 79 8.837 0.924 -3.610 1.00 0.34 H new ATOM 0 HA MET A 79 7.349 2.893 -2.010 1.00 0.34 H new ATOM 0 HB2 MET A 79 9.086 3.539 -4.418 1.00 0.45 H new ATOM 0 HB3 MET A 79 7.842 4.606 -3.798 1.00 0.45 H new ATOM 0 HG2 MET A 79 9.691 5.486 -2.765 1.00 1.36 H new ATOM 0 HG3 MET A 79 9.126 4.384 -1.525 1.00 1.36 H new ATOM 0 HE1 MET A 79 12.738 3.947 -0.637 1.00 2.83 H new ATOM 0 HE2 MET A 79 11.747 5.401 -0.897 1.00 2.83 H new ATOM 0 HE3 MET A 79 11.047 3.981 -0.084 1.00 2.83 H new ATOM 1280 N VAL A 80 5.483 2.732 -3.705 1.00 0.39 N ATOM 1281 CA VAL A 80 4.338 2.569 -4.575 1.00 0.36 C ATOM 1282 C VAL A 80 3.652 3.923 -4.659 1.00 0.36 C ATOM 1283 O VAL A 80 3.744 4.712 -3.719 1.00 0.44 O ATOM 1284 CB VAL A 80 3.428 1.452 -4.024 1.00 0.43 C ATOM 1285 CG1 VAL A 80 3.021 1.693 -2.568 1.00 1.17 C ATOM 1286 CG2 VAL A 80 2.163 1.255 -4.862 1.00 1.42 C ATOM 0 H VAL A 80 5.272 3.277 -2.869 1.00 0.39 H new ATOM 0 HA VAL A 80 4.617 2.258 -5.582 1.00 0.36 H new ATOM 0 HB VAL A 80 4.032 0.547 -4.080 1.00 0.43 H new ATOM 0 HG11 VAL A 80 2.381 0.878 -2.229 1.00 1.17 H new ATOM 0 HG12 VAL A 80 3.913 1.738 -1.943 1.00 1.17 H new ATOM 0 HG13 VAL A 80 2.478 2.635 -2.493 1.00 1.17 H new ATOM 0 HG21 VAL A 80 1.560 0.457 -4.429 1.00 1.42 H new ATOM 0 HG22 VAL A 80 1.587 2.180 -4.874 1.00 1.42 H new ATOM 0 HG23 VAL A 80 2.440 0.987 -5.882 1.00 1.42 H new ATOM 1296 N ARG A 81 2.964 4.180 -5.771 1.00 0.35 N ATOM 1297 CA ARG A 81 2.131 5.373 -5.904 1.00 0.44 C ATOM 1298 C ARG A 81 0.827 5.035 -6.589 1.00 0.44 C ATOM 1299 O ARG A 81 0.763 4.061 -7.332 1.00 0.49 O ATOM 1300 CB ARG A 81 2.847 6.515 -6.639 1.00 0.62 C ATOM 1301 CG ARG A 81 3.868 6.137 -7.713 1.00 1.18 C ATOM 1302 CD ARG A 81 3.209 5.314 -8.813 1.00 1.97 C ATOM 1303 NE ARG A 81 4.020 5.285 -10.038 1.00 2.46 N ATOM 1304 CZ ARG A 81 4.026 6.248 -10.966 1.00 3.25 C ATOM 1305 NH1 ARG A 81 3.292 7.352 -10.794 1.00 4.47 N ATOM 1306 NH2 ARG A 81 4.765 6.109 -12.066 1.00 3.72 N ATOM 0 H ARG A 81 2.968 3.577 -6.593 1.00 0.35 H new ATOM 0 HA ARG A 81 1.923 5.729 -4.895 1.00 0.44 H new ATOM 0 HB2 ARG A 81 2.087 7.143 -7.104 1.00 0.62 H new ATOM 0 HB3 ARG A 81 3.355 7.128 -5.894 1.00 0.62 H new ATOM 0 HG2 ARG A 81 4.306 7.039 -8.139 1.00 1.18 H new ATOM 0 HG3 ARG A 81 4.682 5.568 -7.264 1.00 1.18 H new ATOM 0 HD2 ARG A 81 3.051 4.295 -8.459 1.00 1.97 H new ATOM 0 HD3 ARG A 81 2.227 5.730 -9.038 1.00 1.97 H new ATOM 0 HE ARG A 81 4.620 4.474 -10.191 1.00 2.46 H new ATOM 0 HH11 ARG A 81 2.725 7.462 -9.953 1.00 4.47 H new ATOM 0 HH12 ARG A 81 3.299 8.085 -11.504 1.00 4.47 H new ATOM 0 HH21 ARG A 81 5.326 5.268 -12.200 1.00 3.72 H new ATOM 0 HH22 ARG A 81 4.769 6.844 -12.774 1.00 3.72 H new ATOM 1320 N ARG A 82 -0.194 5.860 -6.369 1.00 0.61 N ATOM 1321 CA ARG A 82 -1.531 5.674 -6.909 1.00 0.74 C ATOM 1322 C ARG A 82 -1.879 6.879 -7.758 1.00 0.55 C ATOM 1323 O ARG A 82 -1.381 7.971 -7.500 1.00 1.40 O ATOM 1324 CB ARG A 82 -2.536 5.435 -5.770 1.00 1.33 C ATOM 1325 CG ARG A 82 -2.547 6.490 -4.645 1.00 1.51 C ATOM 1326 CD ARG A 82 -3.445 7.692 -4.955 1.00 1.62 C ATOM 1327 NE ARG A 82 -3.142 8.837 -4.089 1.00 1.66 N ATOM 1328 CZ ARG A 82 -3.573 10.087 -4.295 1.00 2.39 C ATOM 1329 NH1 ARG A 82 -4.382 10.367 -5.323 1.00 3.20 N ATOM 1330 NH2 ARG A 82 -3.186 11.047 -3.461 1.00 3.41 N ATOM 0 H ARG A 82 -0.108 6.698 -5.794 1.00 0.61 H new ATOM 0 HA ARG A 82 -1.573 4.789 -7.544 1.00 0.74 H new ATOM 0 HB2 ARG A 82 -3.536 5.381 -6.200 1.00 1.33 H new ATOM 0 HB3 ARG A 82 -2.327 4.462 -5.326 1.00 1.33 H new ATOM 0 HG2 ARG A 82 -2.884 6.022 -3.720 1.00 1.51 H new ATOM 0 HG3 ARG A 82 -1.529 6.840 -4.473 1.00 1.51 H new ATOM 0 HD2 ARG A 82 -3.317 7.982 -5.998 1.00 1.62 H new ATOM 0 HD3 ARG A 82 -4.490 7.407 -4.829 1.00 1.62 H new ATOM 0 HE ARG A 82 -2.560 8.668 -3.269 1.00 1.66 H new ATOM 0 HH11 ARG A 82 -4.676 9.625 -5.958 1.00 3.20 H new ATOM 0 HH12 ARG A 82 -4.705 11.323 -5.472 1.00 3.20 H new ATOM 0 HH21 ARG A 82 -2.570 10.825 -2.679 1.00 3.41 H new ATOM 0 HH22 ARG A 82 -3.505 12.005 -3.603 1.00 3.41 H new