USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 556 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 27 ASN : amide:sc= -1.53 K(o=-1.5,f=-2.6!) USER MOD Single : A 1 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 1 GLN N :NH3+ 180:sc= -0.0243 (180deg=-0.0243) USER MOD Single : A 7 TYR OH : rot 180:sc= 1.28 USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot 180:sc= -1.72! USER MOD Single : A 12 THR OG1 : rot -34:sc= 0.648 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HE2:sc= 0.565 K(o=0.56,f=-3.1!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 80:sc= 0.118 USER MOD Single : A 26 HIS : no HD1:sc= -0.485 X(o=-0.49,f=-0.6) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN :FLIP amide:sc= 0 F(o=-2.2,f=0) USER MOD Single : A 44 LYS NZ :NH3+ -134:sc= 1.17 (180deg=-0.436) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -158:sc= -0.338 (180deg=-0.343) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.018) USER MOD Single : A 53 MET CE :methyl -175:sc= -0.256 (180deg=-0.291) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= -0.11 USER MOD Single : A 68 LYS NZ :NH3+ -141:sc= 1.1 (180deg=0.479) USER MOD Single : A 74 MET CE :methyl -135:sc= 0 (180deg=-0.0844) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 2.15 (180deg=2.15) USER MOD ----------------------------------------------------------------- ATOM 44 N GLN A 1 7.637 -6.916 -11.551 1.00 10.00 N ATOM 45 CA GLN A 1 8.945 -7.556 -11.412 1.00 10.00 C ATOM 46 C GLN A 1 9.591 -7.469 -10.019 1.00 10.00 C ATOM 47 O GLN A 1 10.524 -8.218 -9.736 1.00 10.00 O ATOM 48 CB GLN A 1 9.863 -7.042 -12.531 1.00 10.00 C ATOM 49 CG GLN A 1 10.537 -8.208 -13.262 1.00 10.00 C ATOM 50 CD GLN A 1 11.416 -7.747 -14.418 1.00 10.00 C ATOM 51 OE1 GLN A 1 11.296 -6.638 -14.923 1.00 10.00 O ATOM 52 NE2 GLN A 1 12.323 -8.601 -14.866 1.00 10.00 N ATOM 0 H1 GLN A 1 7.295 -7.034 -12.526 1.00 10.00 H new ATOM 0 H2 GLN A 1 6.964 -7.356 -10.892 1.00 10.00 H new ATOM 0 H3 GLN A 1 7.722 -5.902 -11.334 1.00 10.00 H new ATOM 0 HA GLN A 1 8.785 -8.629 -11.518 1.00 10.00 H new ATOM 0 HB2 GLN A 1 9.284 -6.449 -13.239 1.00 10.00 H new ATOM 0 HB3 GLN A 1 10.623 -6.383 -12.110 1.00 10.00 H new ATOM 0 HG2 GLN A 1 11.142 -8.774 -12.554 1.00 10.00 H new ATOM 0 HG3 GLN A 1 9.772 -8.885 -13.640 1.00 10.00 H new ATOM 0 HE21 GLN A 1 12.413 -9.522 -14.436 1.00 10.00 H new ATOM 0 HE22 GLN A 1 12.932 -8.338 -15.641 1.00 10.00 H new ATOM 61 N ASP A 2 9.154 -6.511 -9.198 1.00 10.00 N ATOM 62 CA ASP A 2 9.707 -6.202 -7.887 1.00 10.00 C ATOM 63 C ASP A 2 8.548 -5.709 -6.994 1.00 10.00 C ATOM 64 O ASP A 2 7.380 -5.911 -7.308 1.00 10.00 O ATOM 65 CB ASP A 2 10.838 -5.172 -8.116 1.00 10.00 C ATOM 66 CG ASP A 2 11.718 -4.888 -6.904 1.00 10.00 C ATOM 67 OD1 ASP A 2 11.295 -4.028 -6.096 1.00 10.00 O ATOM 68 OD2 ASP A 2 12.772 -5.544 -6.788 1.00 10.00 O ATOM 0 H ASP A 2 8.371 -5.906 -9.444 1.00 10.00 H new ATOM 0 HA ASP A 2 10.147 -7.054 -7.369 1.00 10.00 H new ATOM 0 HB2 ASP A 2 11.471 -5.528 -8.929 1.00 10.00 H new ATOM 0 HB3 ASP A 2 10.391 -4.235 -8.447 1.00 10.00 H new ATOM 73 N ALA A 3 8.869 -5.010 -5.916 1.00 10.00 N ATOM 74 CA ALA A 3 7.989 -4.389 -4.945 1.00 10.00 C ATOM 75 C ALA A 3 8.164 -2.870 -4.922 1.00 10.00 C ATOM 76 O ALA A 3 7.176 -2.132 -4.849 1.00 10.00 O ATOM 77 CB ALA A 3 8.373 -4.987 -3.603 1.00 10.00 C ATOM 0 H ALA A 3 9.848 -4.850 -5.679 1.00 10.00 H new ATOM 0 HA ALA A 3 6.943 -4.573 -5.191 1.00 10.00 H new ATOM 0 HB1 ALA A 3 7.745 -4.560 -2.821 1.00 10.00 H new ATOM 0 HB2 ALA A 3 8.232 -6.067 -3.632 1.00 10.00 H new ATOM 0 HB3 ALA A 3 9.418 -4.763 -3.391 1.00 10.00 H new ATOM 83 N GLU A 4 9.409 -2.384 -5.023 1.00 10.00 N ATOM 84 CA GLU A 4 9.634 -0.954 -5.133 1.00 10.00 C ATOM 85 C GLU A 4 8.884 -0.393 -6.341 1.00 10.00 C ATOM 86 O GLU A 4 8.140 0.579 -6.234 1.00 10.00 O ATOM 87 CB GLU A 4 11.126 -0.606 -5.171 1.00 10.00 C ATOM 88 CG GLU A 4 11.301 0.898 -5.482 1.00 10.00 C ATOM 89 CD GLU A 4 12.324 1.603 -4.607 1.00 10.00 C ATOM 90 OE1 GLU A 4 13.476 1.125 -4.551 1.00 10.00 O ATOM 91 OE2 GLU A 4 11.925 2.624 -4.008 1.00 10.00 O ATOM 0 H GLU A 4 10.254 -2.955 -5.030 1.00 10.00 H new ATOM 0 HA GLU A 4 9.236 -0.480 -4.236 1.00 10.00 H new ATOM 0 HB2 GLU A 4 11.590 -0.846 -4.214 1.00 10.00 H new ATOM 0 HB3 GLU A 4 11.630 -1.205 -5.929 1.00 10.00 H new ATOM 0 HG2 GLU A 4 11.595 1.009 -6.526 1.00 10.00 H new ATOM 0 HG3 GLU A 4 10.338 1.395 -5.367 1.00 10.00 H new ATOM 98 N ALA A 5 9.001 -1.063 -7.487 1.00 10.00 N ATOM 99 CA ALA A 5 8.420 -0.568 -8.726 1.00 10.00 C ATOM 100 C ALA A 5 6.890 -0.579 -8.655 1.00 10.00 C ATOM 101 O ALA A 5 6.236 0.281 -9.237 1.00 10.00 O ATOM 102 CB ALA A 5 8.924 -1.426 -9.883 1.00 10.00 C ATOM 0 H ALA A 5 9.494 -1.951 -7.579 1.00 10.00 H new ATOM 0 HA ALA A 5 8.726 0.466 -8.885 1.00 10.00 H new ATOM 0 HB1 ALA A 5 8.495 -1.065 -10.818 1.00 10.00 H new ATOM 0 HB2 ALA A 5 10.011 -1.365 -9.935 1.00 10.00 H new ATOM 0 HB3 ALA A 5 8.626 -2.462 -9.724 1.00 10.00 H new ATOM 108 N ILE A 6 6.319 -1.502 -7.880 1.00 10.00 N ATOM 109 CA ILE A 6 4.879 -1.587 -7.687 1.00 10.00 C ATOM 110 C ILE A 6 4.430 -0.361 -6.901 1.00 10.00 C ATOM 111 O ILE A 6 3.584 0.389 -7.384 1.00 10.00 O ATOM 112 CB ILE A 6 4.539 -2.887 -6.937 1.00 10.00 C ATOM 113 CG1 ILE A 6 4.499 -4.113 -7.857 1.00 10.00 C ATOM 114 CG2 ILE A 6 3.179 -2.828 -6.220 1.00 10.00 C ATOM 115 CD1 ILE A 6 5.649 -4.194 -8.861 1.00 10.00 C ATOM 0 H ILE A 6 6.846 -2.210 -7.370 1.00 10.00 H new ATOM 0 HA ILE A 6 4.358 -1.607 -8.644 1.00 10.00 H new ATOM 0 HB ILE A 6 5.345 -2.985 -6.210 1.00 10.00 H new ATOM 0 HG12 ILE A 6 4.507 -5.013 -7.242 1.00 10.00 H new ATOM 0 HG13 ILE A 6 3.556 -4.110 -8.404 1.00 10.00 H new ATOM 0 HG21 ILE A 6 2.996 -3.773 -5.709 1.00 10.00 H new ATOM 0 HG22 ILE A 6 3.187 -2.018 -5.491 1.00 10.00 H new ATOM 0 HG23 ILE A 6 2.390 -2.651 -6.951 1.00 10.00 H new ATOM 0 HD11 ILE A 6 5.539 -5.092 -9.469 1.00 10.00 H new ATOM 0 HD12 ILE A 6 5.632 -3.315 -9.506 1.00 10.00 H new ATOM 0 HD13 ILE A 6 6.598 -4.232 -8.325 1.00 10.00 H new ATOM 127 N TYR A 7 5.041 -0.074 -5.743 1.00 10.00 N ATOM 128 CA TYR A 7 4.563 1.096 -5.003 1.00 10.00 C ATOM 129 C TYR A 7 4.893 2.398 -5.743 1.00 10.00 C ATOM 130 O TYR A 7 4.058 3.293 -5.839 1.00 10.00 O ATOM 131 CB TYR A 7 4.967 1.094 -3.519 1.00 10.00 C ATOM 132 CG TYR A 7 6.254 1.819 -3.200 1.00 10.00 C ATOM 133 CD1 TYR A 7 6.257 3.224 -3.095 1.00 10.00 C ATOM 134 CD2 TYR A 7 7.460 1.110 -3.107 1.00 10.00 C ATOM 135 CE1 TYR A 7 7.475 3.918 -3.062 1.00 10.00 C ATOM 136 CE2 TYR A 7 8.679 1.813 -3.102 1.00 10.00 C ATOM 137 CZ TYR A 7 8.682 3.215 -3.119 1.00 10.00 C ATOM 138 OH TYR A 7 9.839 3.921 -3.159 1.00 10.00 O ATOM 0 H TYR A 7 5.812 -0.594 -5.323 1.00 10.00 H new ATOM 0 HA TYR A 7 3.475 1.030 -4.972 1.00 10.00 H new ATOM 0 HB2 TYR A 7 4.162 1.545 -2.939 1.00 10.00 H new ATOM 0 HB3 TYR A 7 5.059 0.060 -3.186 1.00 10.00 H new ATOM 0 HD1 TYR A 7 5.324 3.765 -3.040 1.00 10.00 H new ATOM 0 HD2 TYR A 7 7.453 0.032 -3.040 1.00 10.00 H new ATOM 0 HE1 TYR A 7 7.481 4.996 -2.993 1.00 10.00 H new ATOM 0 HE2 TYR A 7 9.614 1.272 -3.085 1.00 10.00 H new ATOM 0 HH TYR A 7 10.598 3.303 -3.196 1.00 10.00 H new ATOM 148 N ASN A 8 6.092 2.469 -6.320 1.00 10.00 N ATOM 149 CA ASN A 8 6.627 3.624 -7.020 1.00 10.00 C ATOM 150 C ASN A 8 5.916 3.906 -8.352 1.00 10.00 C ATOM 151 O ASN A 8 5.961 5.031 -8.837 1.00 10.00 O ATOM 152 CB ASN A 8 8.138 3.423 -7.175 1.00 10.00 C ATOM 153 CG ASN A 8 8.872 4.667 -7.649 1.00 10.00 C ATOM 154 OD1 ASN A 8 8.526 5.790 -7.311 1.00 10.00 O ATOM 155 ND2 ASN A 8 9.922 4.483 -8.436 1.00 10.00 N ATOM 0 H ASN A 8 6.743 1.684 -6.309 1.00 10.00 H new ATOM 0 HA ASN A 8 6.440 4.522 -6.432 1.00 10.00 H new ATOM 0 HB2 ASN A 8 8.554 3.108 -6.218 1.00 10.00 H new ATOM 0 HB3 ASN A 8 8.318 2.614 -7.883 1.00 10.00 H new ATOM 0 HD21 ASN A 8 10.456 5.285 -8.770 1.00 10.00 H new ATOM 0 HD22 ASN A 8 10.196 3.539 -8.708 1.00 10.00 H new ATOM 162 N LYS A 9 5.265 2.909 -8.959 1.00 10.00 N ATOM 163 CA LYS A 9 4.390 3.109 -10.116 1.00 10.00 C ATOM 164 C LYS A 9 2.898 3.230 -9.750 1.00 10.00 C ATOM 165 O LYS A 9 2.150 3.868 -10.488 1.00 10.00 O ATOM 166 CB LYS A 9 4.640 1.989 -11.128 1.00 10.00 C ATOM 167 CG LYS A 9 4.027 2.291 -12.506 1.00 10.00 C ATOM 168 CD LYS A 9 5.068 2.203 -13.632 1.00 10.00 C ATOM 169 CE LYS A 9 5.745 0.827 -13.639 1.00 10.00 C ATOM 170 NZ LYS A 9 6.336 0.499 -14.947 1.00 10.00 N ATOM 0 H LYS A 9 5.331 1.936 -8.659 1.00 10.00 H new ATOM 0 HA LYS A 9 4.642 4.071 -10.562 1.00 10.00 H new ATOM 0 HB2 LYS A 9 5.714 1.836 -11.237 1.00 10.00 H new ATOM 0 HB3 LYS A 9 4.223 1.058 -10.745 1.00 10.00 H new ATOM 0 HG2 LYS A 9 3.218 1.588 -12.705 1.00 10.00 H new ATOM 0 HG3 LYS A 9 3.587 3.288 -12.496 1.00 10.00 H new ATOM 0 HD2 LYS A 9 4.587 2.382 -14.594 1.00 10.00 H new ATOM 0 HD3 LYS A 9 5.819 2.982 -13.502 1.00 10.00 H new ATOM 0 HE2 LYS A 9 6.523 0.804 -12.876 1.00 10.00 H new ATOM 0 HE3 LYS A 9 5.014 0.064 -13.372 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 6.781 -0.440 -14.901 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 5.591 0.494 -15.673 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 7.054 1.211 -15.192 1.00 10.00 H new ATOM 184 N ALA A 10 2.451 2.605 -8.655 1.00 10.00 N ATOM 185 CA ALA A 10 1.025 2.449 -8.333 1.00 10.00 C ATOM 186 C ALA A 10 0.608 3.314 -7.140 1.00 10.00 C ATOM 187 O ALA A 10 -0.145 4.275 -7.294 1.00 10.00 O ATOM 188 CB ALA A 10 0.690 0.971 -8.101 1.00 10.00 C ATOM 0 H ALA A 10 3.072 2.189 -7.961 1.00 10.00 H new ATOM 0 HA ALA A 10 0.449 2.802 -9.188 1.00 10.00 H new ATOM 0 HB1 ALA A 10 -0.369 0.871 -7.864 1.00 10.00 H new ATOM 0 HB2 ALA A 10 0.915 0.401 -9.002 1.00 10.00 H new ATOM 0 HB3 ALA A 10 1.285 0.589 -7.272 1.00 10.00 H new ATOM 194 N CYS A 11 1.151 3.049 -5.949 1.00 10.00 N ATOM 195 CA CYS A 11 0.890 3.815 -4.726 1.00 10.00 C ATOM 196 C CYS A 11 1.601 5.190 -4.745 1.00 10.00 C ATOM 197 O CYS A 11 1.947 5.755 -3.709 1.00 10.00 O ATOM 198 CB CYS A 11 1.276 2.997 -3.505 1.00 10.00 C ATOM 199 SG CYS A 11 1.296 1.188 -3.711 1.00 10.00 S ATOM 0 H CYS A 11 1.801 2.276 -5.804 1.00 10.00 H new ATOM 0 HA CYS A 11 -0.179 4.022 -4.675 1.00 10.00 H new ATOM 0 HB2 CYS A 11 2.267 3.314 -3.181 1.00 10.00 H new ATOM 0 HB3 CYS A 11 0.584 3.241 -2.699 1.00 10.00 H new ATOM 0 HG CYS A 11 1.644 0.628 -2.591 1.00 10.00 H new ATOM 204 N THR A 12 1.810 5.762 -5.933 1.00 10.00 N ATOM 205 CA THR A 12 2.753 6.851 -6.172 1.00 10.00 C ATOM 206 C THR A 12 2.091 8.185 -6.485 1.00 10.00 C ATOM 207 O THR A 12 2.768 9.161 -6.805 1.00 10.00 O ATOM 208 CB THR A 12 3.714 6.439 -7.286 1.00 10.00 C ATOM 209 OG1 THR A 12 4.783 7.347 -7.317 1.00 10.00 O ATOM 210 CG2 THR A 12 3.036 6.424 -8.660 1.00 10.00 C ATOM 0 H THR A 12 1.314 5.471 -6.776 1.00 10.00 H new ATOM 0 HA THR A 12 3.297 7.018 -5.243 1.00 10.00 H new ATOM 0 HB THR A 12 4.059 5.427 -7.074 1.00 10.00 H new ATOM 0 HG1 THR A 12 4.460 8.241 -7.077 1.00 10.00 H new ATOM 0 HG21 THR A 12 3.759 6.125 -9.419 1.00 10.00 H new ATOM 0 HG22 THR A 12 2.207 5.716 -8.649 1.00 10.00 H new ATOM 0 HG23 THR A 12 2.659 7.420 -8.890 1.00 10.00 H new ATOM 218 N VAL A 13 0.765 8.213 -6.395 1.00 10.00 N ATOM 219 CA VAL A 13 -0.076 9.325 -6.805 1.00 10.00 C ATOM 220 C VAL A 13 -0.613 10.032 -5.554 1.00 10.00 C ATOM 221 O VAL A 13 -0.600 11.255 -5.441 1.00 10.00 O ATOM 222 CB VAL A 13 -1.203 8.753 -7.683 1.00 10.00 C ATOM 223 CG1 VAL A 13 -2.005 9.904 -8.278 1.00 10.00 C ATOM 224 CG2 VAL A 13 -0.658 7.887 -8.831 1.00 10.00 C ATOM 0 H VAL A 13 0.229 7.430 -6.020 1.00 10.00 H new ATOM 0 HA VAL A 13 0.476 10.066 -7.383 1.00 10.00 H new ATOM 0 HB VAL A 13 -1.829 8.123 -7.051 1.00 10.00 H new ATOM 0 HG11 VAL A 13 -2.805 9.506 -8.901 1.00 10.00 H new ATOM 0 HG12 VAL A 13 -2.435 10.502 -7.474 1.00 10.00 H new ATOM 0 HG13 VAL A 13 -1.349 10.529 -8.885 1.00 10.00 H new ATOM 0 HG21 VAL A 13 -1.489 7.505 -9.424 1.00 10.00 H new ATOM 0 HG22 VAL A 13 -0.007 8.490 -9.464 1.00 10.00 H new ATOM 0 HG23 VAL A 13 -0.091 7.052 -8.419 1.00 10.00 H new ATOM 234 N CYS A 14 -1.057 9.213 -4.603 1.00 10.00 N ATOM 235 CA CYS A 14 -1.656 9.591 -3.338 1.00 10.00 C ATOM 236 C CYS A 14 -0.616 9.603 -2.210 1.00 10.00 C ATOM 237 O CYS A 14 -0.320 10.648 -1.635 1.00 10.00 O ATOM 238 CB CYS A 14 -2.746 8.585 -3.096 1.00 10.00 C ATOM 239 SG CYS A 14 -4.178 9.010 -4.125 1.00 10.00 S ATOM 0 H CYS A 14 -1.001 8.200 -4.709 1.00 10.00 H new ATOM 0 HA CYS A 14 -2.058 10.604 -3.364 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -2.393 7.582 -3.337 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -3.027 8.580 -2.043 1.00 10.00 H new ATOM 0 HG CYS A 14 -5.128 8.145 -3.926 1.00 10.00 H new ATOM 244 N HIS A 15 -0.039 8.438 -1.904 1.00 10.00 N ATOM 245 CA HIS A 15 0.759 8.215 -0.697 1.00 10.00 C ATOM 246 C HIS A 15 2.148 8.870 -0.748 1.00 10.00 C ATOM 247 O HIS A 15 2.746 9.150 0.291 1.00 10.00 O ATOM 248 CB HIS A 15 0.911 6.707 -0.501 1.00 10.00 C ATOM 249 CG HIS A 15 -0.325 6.015 -0.006 1.00 10.00 C ATOM 250 ND1 HIS A 15 -0.454 5.504 1.256 1.00 10.00 N ATOM 251 CD2 HIS A 15 -1.370 5.548 -0.756 1.00 10.00 C ATOM 252 CE1 HIS A 15 -1.523 4.695 1.256 1.00 10.00 C ATOM 253 NE2 HIS A 15 -2.152 4.724 0.068 1.00 10.00 N ATOM 0 H HIS A 15 -0.115 7.611 -2.497 1.00 10.00 H new ATOM 0 HA HIS A 15 0.235 8.682 0.137 1.00 10.00 H new ATOM 0 HB2 HIS A 15 1.208 6.259 -1.449 1.00 10.00 H new ATOM 0 HB3 HIS A 15 1.721 6.525 0.205 1.00 10.00 H new ATOM 0 HD1 HIS A 15 0.152 5.702 2.052 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -1.559 5.773 -1.795 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.838 4.098 2.099 1.00 10.00 H new ATOM 261 N SER A 16 2.646 9.118 -1.964 1.00 10.00 N ATOM 262 CA SER A 16 3.962 9.700 -2.218 1.00 10.00 C ATOM 263 C SER A 16 4.095 11.074 -1.549 1.00 10.00 C ATOM 264 O SER A 16 5.083 11.360 -0.876 1.00 10.00 O ATOM 265 CB SER A 16 4.188 9.781 -3.734 1.00 10.00 C ATOM 266 OG SER A 16 5.554 10.010 -4.014 1.00 10.00 O ATOM 0 H SER A 16 2.129 8.913 -2.819 1.00 10.00 H new ATOM 0 HA SER A 16 4.732 9.064 -1.782 1.00 10.00 H new ATOM 0 HB2 SER A 16 3.863 8.854 -4.207 1.00 10.00 H new ATOM 0 HB3 SER A 16 3.584 10.584 -4.156 1.00 10.00 H new ATOM 0 HG SER A 16 5.686 10.058 -4.984 1.00 10.00 H new ATOM 272 N MET A 17 3.058 11.903 -1.717 1.00 10.00 N ATOM 273 CA MET A 17 2.969 13.254 -1.170 1.00 10.00 C ATOM 274 C MET A 17 1.895 13.381 -0.072 1.00 10.00 C ATOM 275 O MET A 17 1.947 14.313 0.727 1.00 10.00 O ATOM 276 CB MET A 17 2.715 14.224 -2.333 1.00 10.00 C ATOM 277 CG MET A 17 3.915 14.283 -3.292 1.00 10.00 C ATOM 278 SD MET A 17 5.423 15.027 -2.620 1.00 10.00 S ATOM 279 CE MET A 17 6.576 14.655 -3.952 1.00 10.00 C ATOM 0 H MET A 17 2.233 11.639 -2.256 1.00 10.00 H new ATOM 0 HA MET A 17 3.909 13.502 -0.678 1.00 10.00 H new ATOM 0 HB2 MET A 17 1.826 13.912 -2.881 1.00 10.00 H new ATOM 0 HB3 MET A 17 2.514 15.220 -1.939 1.00 10.00 H new ATOM 0 HG2 MET A 17 4.146 13.269 -3.618 1.00 10.00 H new ATOM 0 HG3 MET A 17 3.620 14.843 -4.179 1.00 10.00 H new ATOM 0 HE1 MET A 17 7.562 15.046 -3.700 1.00 10.00 H new ATOM 0 HE2 MET A 17 6.638 13.575 -4.089 1.00 10.00 H new ATOM 0 HE3 MET A 17 6.227 15.118 -4.875 1.00 10.00 H new ATOM 289 N GLY A 18 0.921 12.463 -0.024 1.00 10.00 N ATOM 290 CA GLY A 18 -0.203 12.515 0.914 1.00 10.00 C ATOM 291 C GLY A 18 -1.399 13.288 0.342 1.00 10.00 C ATOM 292 O GLY A 18 -1.977 14.146 1.004 1.00 10.00 O ATOM 0 H GLY A 18 0.893 11.654 -0.644 1.00 10.00 H new ATOM 0 HA2 GLY A 18 -0.514 11.500 1.163 1.00 10.00 H new ATOM 0 HA3 GLY A 18 0.122 12.986 1.842 1.00 10.00 H new ATOM 296 N VAL A 19 -1.784 12.967 -0.896 1.00 10.00 N ATOM 297 CA VAL A 19 -2.926 13.548 -1.598 1.00 10.00 C ATOM 298 C VAL A 19 -4.165 12.669 -1.365 1.00 10.00 C ATOM 299 O VAL A 19 -4.061 11.540 -0.893 1.00 10.00 O ATOM 300 CB VAL A 19 -2.568 13.742 -3.086 1.00 10.00 C ATOM 301 CG1 VAL A 19 -3.718 14.335 -3.914 1.00 10.00 C ATOM 302 CG2 VAL A 19 -1.360 14.681 -3.215 1.00 10.00 C ATOM 0 H VAL A 19 -1.290 12.271 -1.455 1.00 10.00 H new ATOM 0 HA VAL A 19 -3.169 14.537 -1.209 1.00 10.00 H new ATOM 0 HB VAL A 19 -2.347 12.748 -3.475 1.00 10.00 H new ATOM 0 HG11 VAL A 19 -3.400 14.446 -4.951 1.00 10.00 H new ATOM 0 HG12 VAL A 19 -4.580 13.670 -3.868 1.00 10.00 H new ATOM 0 HG13 VAL A 19 -3.990 15.311 -3.512 1.00 10.00 H new ATOM 0 HG21 VAL A 19 -1.113 14.813 -4.268 1.00 10.00 H new ATOM 0 HG22 VAL A 19 -1.602 15.648 -2.775 1.00 10.00 H new ATOM 0 HG23 VAL A 19 -0.506 14.249 -2.694 1.00 10.00 H new ATOM 312 N ALA A 20 -5.357 13.225 -1.601 1.00 10.00 N ATOM 313 CA ALA A 20 -6.645 12.577 -1.335 1.00 10.00 C ATOM 314 C ALA A 20 -6.823 12.154 0.136 1.00 10.00 C ATOM 315 O ALA A 20 -7.638 11.289 0.446 1.00 10.00 O ATOM 316 CB ALA A 20 -6.841 11.402 -2.299 1.00 10.00 C ATOM 0 H ALA A 20 -5.456 14.162 -1.992 1.00 10.00 H new ATOM 0 HA ALA A 20 -7.427 13.315 -1.513 1.00 10.00 H new ATOM 0 HB1 ALA A 20 -7.799 10.923 -2.098 1.00 10.00 H new ATOM 0 HB2 ALA A 20 -6.826 11.767 -3.326 1.00 10.00 H new ATOM 0 HB3 ALA A 20 -6.037 10.679 -2.159 1.00 10.00 H new ATOM 322 N GLY A 21 -6.045 12.755 1.044 1.00 10.00 N ATOM 323 CA GLY A 21 -5.984 12.376 2.453 1.00 10.00 C ATOM 324 C GLY A 21 -5.265 11.040 2.692 1.00 10.00 C ATOM 325 O GLY A 21 -5.546 10.356 3.673 1.00 10.00 O ATOM 0 H GLY A 21 -5.429 13.534 0.811 1.00 10.00 H new ATOM 0 HA2 GLY A 21 -5.473 13.161 3.011 1.00 10.00 H new ATOM 0 HA3 GLY A 21 -6.997 12.311 2.849 1.00 10.00 H new ATOM 329 N ALA A 22 -4.347 10.643 1.801 1.00 10.00 N ATOM 330 CA ALA A 22 -3.673 9.351 1.896 1.00 10.00 C ATOM 331 C ALA A 22 -2.580 9.293 2.987 1.00 10.00 C ATOM 332 O ALA A 22 -1.869 10.274 3.210 1.00 10.00 O ATOM 333 CB ALA A 22 -3.127 8.968 0.521 1.00 10.00 C ATOM 0 H ALA A 22 -4.056 11.206 1.002 1.00 10.00 H new ATOM 0 HA ALA A 22 -4.414 8.618 2.214 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -2.622 8.004 0.585 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -3.949 8.900 -0.191 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -2.419 9.726 0.187 1.00 10.00 H new ATOM 339 N PRO A 23 -2.428 8.137 3.658 1.00 10.00 N ATOM 340 CA PRO A 23 -1.527 7.925 4.790 1.00 10.00 C ATOM 341 C PRO A 23 -0.079 7.693 4.330 1.00 10.00 C ATOM 342 O PRO A 23 0.204 6.754 3.578 1.00 10.00 O ATOM 343 CB PRO A 23 -2.122 6.702 5.481 1.00 10.00 C ATOM 344 CG PRO A 23 -2.690 5.868 4.348 1.00 10.00 C ATOM 345 CD PRO A 23 -3.248 6.954 3.440 1.00 10.00 C ATOM 0 HA PRO A 23 -1.459 8.788 5.453 1.00 10.00 H new ATOM 0 HB2 PRO A 23 -1.363 6.152 6.038 1.00 10.00 H new ATOM 0 HB3 PRO A 23 -2.897 6.986 6.193 1.00 10.00 H new ATOM 0 HG2 PRO A 23 -1.925 5.269 3.853 1.00 10.00 H new ATOM 0 HG3 PRO A 23 -3.462 5.179 4.690 1.00 10.00 H new ATOM 0 HD2 PRO A 23 -3.211 6.643 2.396 1.00 10.00 H new ATOM 0 HD3 PRO A 23 -4.293 7.157 3.675 1.00 10.00 H new ATOM 353 N LYS A 24 0.857 8.506 4.828 1.00 10.00 N ATOM 354 CA LYS A 24 2.182 8.728 4.239 1.00 10.00 C ATOM 355 C LYS A 24 2.983 7.426 4.087 1.00 10.00 C ATOM 356 O LYS A 24 2.954 6.554 4.966 1.00 10.00 O ATOM 357 CB LYS A 24 2.967 9.731 5.099 1.00 10.00 C ATOM 358 CG LYS A 24 4.118 10.439 4.364 1.00 10.00 C ATOM 359 CD LYS A 24 5.091 11.106 5.353 1.00 10.00 C ATOM 360 CE LYS A 24 4.489 12.307 6.090 1.00 10.00 C ATOM 361 NZ LYS A 24 5.436 12.825 7.100 1.00 10.00 N ATOM 0 H LYS A 24 0.709 9.046 5.681 1.00 10.00 H new ATOM 0 HA LYS A 24 2.032 9.130 3.237 1.00 10.00 H new ATOM 0 HB2 LYS A 24 2.276 10.485 5.477 1.00 10.00 H new ATOM 0 HB3 LYS A 24 3.373 9.208 5.965 1.00 10.00 H new ATOM 0 HG2 LYS A 24 4.658 9.718 3.751 1.00 10.00 H new ATOM 0 HG3 LYS A 24 3.712 11.191 3.688 1.00 10.00 H new ATOM 0 HD2 LYS A 24 5.415 10.366 6.085 1.00 10.00 H new ATOM 0 HD3 LYS A 24 5.980 11.431 4.812 1.00 10.00 H new ATOM 0 HE2 LYS A 24 4.244 13.093 5.376 1.00 10.00 H new ATOM 0 HE3 LYS A 24 3.557 12.014 6.574 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 5.011 13.638 7.589 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 5.649 12.078 7.791 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 6.315 13.124 6.631 1.00 10.00 H new ATOM 375 N SER A 25 3.729 7.301 2.985 1.00 10.00 N ATOM 376 CA SER A 25 4.622 6.171 2.752 1.00 10.00 C ATOM 377 C SER A 25 5.547 5.893 3.951 1.00 10.00 C ATOM 378 O SER A 25 5.503 4.805 4.512 1.00 10.00 O ATOM 379 CB SER A 25 5.400 6.389 1.449 1.00 10.00 C ATOM 380 OG SER A 25 4.472 6.497 0.386 1.00 10.00 O ATOM 0 H SER A 25 3.728 7.986 2.229 1.00 10.00 H new ATOM 0 HA SER A 25 4.016 5.272 2.644 1.00 10.00 H new ATOM 0 HB2 SER A 25 6.006 7.292 1.516 1.00 10.00 H new ATOM 0 HB3 SER A 25 6.084 5.559 1.272 1.00 10.00 H new ATOM 0 HG SER A 25 4.099 7.403 0.368 1.00 10.00 H new ATOM 386 N HIS A 26 6.342 6.875 4.392 1.00 10.00 N ATOM 387 CA HIS A 26 7.237 6.732 5.543 1.00 10.00 C ATOM 388 C HIS A 26 6.722 7.542 6.751 1.00 10.00 C ATOM 389 O HIS A 26 6.963 8.738 6.886 1.00 10.00 O ATOM 390 CB HIS A 26 8.689 7.039 5.133 1.00 10.00 C ATOM 391 CG HIS A 26 9.039 8.500 5.017 1.00 10.00 C ATOM 392 ND1 HIS A 26 9.749 9.217 5.953 1.00 10.00 N ATOM 393 CD2 HIS A 26 8.535 9.392 4.108 1.00 10.00 C ATOM 394 CE1 HIS A 26 9.675 10.514 5.612 1.00 10.00 C ATOM 395 NE2 HIS A 26 8.940 10.672 4.499 1.00 10.00 N ATOM 0 H HIS A 26 6.382 7.796 3.956 1.00 10.00 H new ATOM 0 HA HIS A 26 7.239 5.696 5.882 1.00 10.00 H new ATOM 0 HB2 HIS A 26 9.358 6.581 5.862 1.00 10.00 H new ATOM 0 HB3 HIS A 26 8.886 6.560 4.174 1.00 10.00 H new ATOM 0 HD2 HIS A 26 7.933 9.150 3.245 1.00 10.00 H new ATOM 0 HE1 HIS A 26 10.143 11.320 6.158 1.00 10.00 H new ATOM 0 HE2 HIS A 26 8.721 11.552 4.031 1.00 10.00 H new ATOM 403 N ASN A 27 5.974 6.883 7.632 1.00 10.00 N ATOM 404 CA ASN A 27 5.455 7.439 8.881 1.00 10.00 C ATOM 405 C ASN A 27 5.670 6.400 9.993 1.00 10.00 C ATOM 406 O ASN A 27 5.918 5.234 9.693 1.00 10.00 O ATOM 407 CB ASN A 27 3.952 7.747 8.695 1.00 10.00 C ATOM 408 CG ASN A 27 3.581 9.223 8.530 1.00 10.00 C ATOM 409 OD1 ASN A 27 4.390 10.130 8.712 1.00 10.00 O ATOM 410 ND2 ASN A 27 2.330 9.503 8.179 1.00 10.00 N ATOM 0 H ASN A 27 5.702 5.910 7.491 1.00 10.00 H new ATOM 0 HA ASN A 27 5.969 8.361 9.151 1.00 10.00 H new ATOM 0 HB2 ASN A 27 3.597 7.204 7.819 1.00 10.00 H new ATOM 0 HB3 ASN A 27 3.412 7.352 9.555 1.00 10.00 H new ATOM 0 HD21 ASN A 27 2.039 10.473 8.060 1.00 10.00 H new ATOM 0 HD22 ASN A 27 1.661 8.748 8.029 1.00 10.00 H new ATOM 417 N THR A 28 5.525 6.793 11.264 1.00 10.00 N ATOM 418 CA THR A 28 5.481 5.818 12.363 1.00 10.00 C ATOM 419 C THR A 28 4.061 5.683 12.927 1.00 10.00 C ATOM 420 O THR A 28 3.553 4.574 13.055 1.00 10.00 O ATOM 421 CB THR A 28 6.437 6.303 13.469 1.00 10.00 C ATOM 422 OG1 THR A 28 7.741 6.446 12.950 1.00 10.00 O ATOM 423 CG2 THR A 28 6.517 5.347 14.657 1.00 10.00 C ATOM 0 H THR A 28 5.437 7.766 11.556 1.00 10.00 H new ATOM 0 HA THR A 28 5.784 4.839 11.991 1.00 10.00 H new ATOM 0 HB THR A 28 6.034 7.254 13.818 1.00 10.00 H new ATOM 0 HG1 THR A 28 8.343 6.756 13.658 1.00 10.00 H new ATOM 0 HG21 THR A 28 7.207 5.747 15.400 1.00 10.00 H new ATOM 0 HG22 THR A 28 5.528 5.236 15.102 1.00 10.00 H new ATOM 0 HG23 THR A 28 6.873 4.374 14.318 1.00 10.00 H new ATOM 431 N ALA A 29 3.322 6.792 13.031 1.00 10.00 N ATOM 432 CA ALA A 29 2.003 6.799 13.669 1.00 10.00 C ATOM 433 C ALA A 29 0.876 6.361 12.730 1.00 10.00 C ATOM 434 O ALA A 29 -0.224 6.037 13.165 1.00 10.00 O ATOM 435 CB ALA A 29 1.730 8.194 14.217 1.00 10.00 C ATOM 0 H ALA A 29 3.618 7.702 12.679 1.00 10.00 H new ATOM 0 HA ALA A 29 2.021 6.067 14.476 1.00 10.00 H new ATOM 0 HB1 ALA A 29 0.750 8.212 14.695 1.00 10.00 H new ATOM 0 HB2 ALA A 29 2.495 8.454 14.949 1.00 10.00 H new ATOM 0 HB3 ALA A 29 1.749 8.916 13.400 1.00 10.00 H new ATOM 441 N ASP A 30 1.162 6.362 11.430 1.00 10.00 N ATOM 442 CA ASP A 30 0.263 5.989 10.355 1.00 10.00 C ATOM 443 C ASP A 30 0.365 4.474 10.069 1.00 10.00 C ATOM 444 O ASP A 30 -0.561 3.852 9.545 1.00 10.00 O ATOM 445 CB ASP A 30 0.725 6.874 9.193 1.00 10.00 C ATOM 446 CG ASP A 30 -0.335 7.327 8.234 1.00 10.00 C ATOM 447 OD1 ASP A 30 -1.472 6.823 8.323 1.00 10.00 O ATOM 448 OD2 ASP A 30 0.084 8.149 7.388 1.00 10.00 O ATOM 0 H ASP A 30 2.081 6.640 11.085 1.00 10.00 H new ATOM 0 HA ASP A 30 -0.794 6.145 10.572 1.00 10.00 H new ATOM 0 HB2 ASP A 30 1.209 7.758 9.609 1.00 10.00 H new ATOM 0 HB3 ASP A 30 1.484 6.330 8.631 1.00 10.00 H new ATOM 453 N TRP A 31 1.511 3.884 10.439 1.00 10.00 N ATOM 454 CA TRP A 31 1.824 2.461 10.344 1.00 10.00 C ATOM 455 C TRP A 31 1.567 1.728 11.687 1.00 10.00 C ATOM 456 O TRP A 31 1.055 0.605 11.677 1.00 10.00 O ATOM 457 CB TRP A 31 3.256 2.310 9.790 1.00 10.00 C ATOM 458 CG TRP A 31 3.462 2.784 8.367 1.00 10.00 C ATOM 459 CD1 TRP A 31 3.683 4.063 7.982 1.00 10.00 C ATOM 460 CD2 TRP A 31 3.421 2.021 7.115 1.00 10.00 C ATOM 461 NE1 TRP A 31 3.730 4.161 6.611 1.00 10.00 N ATOM 462 CE2 TRP A 31 3.534 2.938 6.026 1.00 10.00 C ATOM 463 CE3 TRP A 31 3.290 0.655 6.778 1.00 10.00 C ATOM 464 CZ2 TRP A 31 3.428 2.546 4.689 1.00 10.00 C ATOM 465 CZ3 TRP A 31 3.241 0.247 5.430 1.00 10.00 C ATOM 466 CH2 TRP A 31 3.262 1.192 4.398 1.00 10.00 C ATOM 0 H TRP A 31 2.283 4.421 10.834 1.00 10.00 H new ATOM 0 HA TRP A 31 1.152 1.965 9.643 1.00 10.00 H new ATOM 0 HB2 TRP A 31 3.937 2.860 10.439 1.00 10.00 H new ATOM 0 HB3 TRP A 31 3.540 1.259 9.848 1.00 10.00 H new ATOM 0 HD1 TRP A 31 3.806 4.894 8.660 1.00 10.00 H new ATOM 0 HE1 TRP A 31 3.889 5.028 6.098 1.00 10.00 H new ATOM 0 HE3 TRP A 31 3.227 -0.085 7.562 1.00 10.00 H new ATOM 0 HZ2 TRP A 31 3.474 3.278 3.896 1.00 10.00 H new ATOM 0 HZ3 TRP A 31 3.187 -0.805 5.191 1.00 10.00 H new ATOM 0 HH2 TRP A 31 3.149 0.872 3.373 1.00 10.00 H new ATOM 477 N GLU A 32 1.824 2.360 12.848 1.00 10.00 N ATOM 478 CA GLU A 32 1.469 1.820 14.171 1.00 10.00 C ATOM 479 C GLU A 32 0.065 1.170 14.242 1.00 10.00 C ATOM 480 O GLU A 32 -0.031 -0.023 14.527 1.00 10.00 O ATOM 481 CB GLU A 32 1.648 2.901 15.251 1.00 10.00 C ATOM 482 CG GLU A 32 3.070 2.922 15.831 1.00 10.00 C ATOM 483 CD GLU A 32 3.247 4.036 16.856 1.00 10.00 C ATOM 484 OE1 GLU A 32 3.395 5.195 16.414 1.00 10.00 O ATOM 485 OE2 GLU A 32 3.219 3.705 18.060 1.00 10.00 O ATOM 0 H GLU A 32 2.288 3.267 12.893 1.00 10.00 H new ATOM 0 HA GLU A 32 2.162 1.000 14.361 1.00 10.00 H new ATOM 0 HB2 GLU A 32 1.418 3.878 14.825 1.00 10.00 H new ATOM 0 HB3 GLU A 32 0.933 2.728 16.056 1.00 10.00 H new ATOM 0 HG2 GLU A 32 3.286 1.961 16.298 1.00 10.00 H new ATOM 0 HG3 GLU A 32 3.790 3.053 15.023 1.00 10.00 H new ATOM 492 N PRO A 33 -1.033 1.892 13.940 1.00 10.00 N ATOM 493 CA PRO A 33 -2.395 1.356 13.999 1.00 10.00 C ATOM 494 C PRO A 33 -2.734 0.416 12.826 1.00 10.00 C ATOM 495 O PRO A 33 -3.905 0.129 12.579 1.00 10.00 O ATOM 496 CB PRO A 33 -3.295 2.596 13.999 1.00 10.00 C ATOM 497 CG PRO A 33 -2.504 3.574 13.135 1.00 10.00 C ATOM 498 CD PRO A 33 -1.071 3.298 13.580 1.00 10.00 C ATOM 0 HA PRO A 33 -2.530 0.733 14.883 1.00 10.00 H new ATOM 0 HB2 PRO A 33 -4.278 2.385 13.578 1.00 10.00 H new ATOM 0 HB3 PRO A 33 -3.456 2.981 15.006 1.00 10.00 H new ATOM 0 HG2 PRO A 33 -2.645 3.385 12.071 1.00 10.00 H new ATOM 0 HG3 PRO A 33 -2.796 4.608 13.317 1.00 10.00 H new ATOM 0 HD2 PRO A 33 -0.364 3.516 12.780 1.00 10.00 H new ATOM 0 HD3 PRO A 33 -0.797 3.926 14.427 1.00 10.00 H new ATOM 506 N ARG A 34 -1.726 -0.061 12.091 1.00 10.00 N ATOM 507 CA ARG A 34 -1.852 -1.019 11.000 1.00 10.00 C ATOM 508 C ARG A 34 -1.096 -2.304 11.385 1.00 10.00 C ATOM 509 O ARG A 34 -1.667 -3.398 11.373 1.00 10.00 O ATOM 510 CB ARG A 34 -1.358 -0.346 9.709 1.00 10.00 C ATOM 511 CG ARG A 34 -2.064 0.993 9.433 1.00 10.00 C ATOM 512 CD ARG A 34 -3.501 0.786 8.937 1.00 10.00 C ATOM 513 NE ARG A 34 -4.467 1.643 9.652 1.00 10.00 N ATOM 514 CZ ARG A 34 -4.772 2.911 9.346 1.00 10.00 C ATOM 515 NH1 ARG A 34 -3.969 3.634 8.576 1.00 10.00 N ATOM 516 NH2 ARG A 34 -5.886 3.459 9.811 1.00 10.00 N ATOM 0 H ARG A 34 -0.760 0.225 12.250 1.00 10.00 H new ATOM 0 HA ARG A 34 -2.884 -1.318 10.817 1.00 10.00 H new ATOM 0 HB2 ARG A 34 -0.283 -0.178 9.779 1.00 10.00 H new ATOM 0 HB3 ARG A 34 -1.521 -1.019 8.867 1.00 10.00 H new ATOM 0 HG2 ARG A 34 -2.076 1.592 10.343 1.00 10.00 H new ATOM 0 HG3 ARG A 34 -1.500 1.555 8.689 1.00 10.00 H new ATOM 0 HD2 ARG A 34 -3.549 1.000 7.869 1.00 10.00 H new ATOM 0 HD3 ARG A 34 -3.781 -0.260 9.066 1.00 10.00 H new ATOM 0 HE ARG A 34 -4.946 1.232 10.453 1.00 10.00 H new ATOM 0 HH11 ARG A 34 -3.109 3.225 8.210 1.00 10.00 H new ATOM 0 HH12 ARG A 34 -4.212 4.599 8.350 1.00 10.00 H new ATOM 0 HH21 ARG A 34 -6.513 2.915 10.403 1.00 10.00 H new ATOM 0 HH22 ARG A 34 -6.116 4.425 9.576 1.00 10.00 H new ATOM 530 N LEU A 35 0.126 -2.146 11.915 1.00 10.00 N ATOM 531 CA LEU A 35 0.918 -3.166 12.621 1.00 10.00 C ATOM 532 C LEU A 35 0.229 -3.785 13.854 1.00 10.00 C ATOM 533 O LEU A 35 0.826 -4.614 14.537 1.00 10.00 O ATOM 534 CB LEU A 35 2.259 -2.524 13.039 1.00 10.00 C ATOM 535 CG LEU A 35 3.408 -2.878 12.082 1.00 10.00 C ATOM 536 CD1 LEU A 35 4.204 -1.621 11.711 1.00 10.00 C ATOM 537 CD2 LEU A 35 4.305 -3.944 12.719 1.00 10.00 C ATOM 0 H LEU A 35 0.616 -1.253 11.860 1.00 10.00 H new ATOM 0 HA LEU A 35 1.055 -3.996 11.928 1.00 10.00 H new ATOM 0 HB2 LEU A 35 2.143 -1.441 13.076 1.00 10.00 H new ATOM 0 HB3 LEU A 35 2.516 -2.852 14.046 1.00 10.00 H new ATOM 0 HG LEU A 35 2.995 -3.288 11.160 1.00 10.00 H new ATOM 0 HD11 LEU A 35 5.014 -1.890 11.033 1.00 10.00 H new ATOM 0 HD12 LEU A 35 3.545 -0.904 11.222 1.00 10.00 H new ATOM 0 HD13 LEU A 35 4.620 -1.174 12.614 1.00 10.00 H new ATOM 0 HD21 LEU A 35 5.118 -4.191 12.036 1.00 10.00 H new ATOM 0 HD22 LEU A 35 4.719 -3.561 13.652 1.00 10.00 H new ATOM 0 HD23 LEU A 35 3.718 -4.839 12.923 1.00 10.00 H new ATOM 549 N ALA A 36 -1.027 -3.426 14.140 1.00 10.00 N ATOM 550 CA ALA A 36 -1.809 -3.969 15.235 1.00 10.00 C ATOM 551 C ALA A 36 -2.530 -5.245 14.791 1.00 10.00 C ATOM 552 O ALA A 36 -2.778 -6.135 15.600 1.00 10.00 O ATOM 553 CB ALA A 36 -2.802 -2.903 15.706 1.00 10.00 C ATOM 0 H ALA A 36 -1.534 -2.729 13.595 1.00 10.00 H new ATOM 0 HA ALA A 36 -1.155 -4.236 16.065 1.00 10.00 H new ATOM 0 HB1 ALA A 36 -3.397 -3.298 16.529 1.00 10.00 H new ATOM 0 HB2 ALA A 36 -2.257 -2.021 16.043 1.00 10.00 H new ATOM 0 HB3 ALA A 36 -3.460 -2.629 14.882 1.00 10.00 H new ATOM 559 N LYS A 37 -2.873 -5.332 13.498 1.00 10.00 N ATOM 560 CA LYS A 37 -3.457 -6.534 12.912 1.00 10.00 C ATOM 561 C LYS A 37 -2.346 -7.470 12.413 1.00 10.00 C ATOM 562 O LYS A 37 -2.284 -8.633 12.801 1.00 10.00 O ATOM 563 CB LYS A 37 -4.418 -6.146 11.778 1.00 10.00 C ATOM 564 CG LYS A 37 -5.623 -5.319 12.256 1.00 10.00 C ATOM 565 CD LYS A 37 -6.933 -6.120 12.340 1.00 10.00 C ATOM 566 CE LYS A 37 -6.937 -7.135 13.493 1.00 10.00 C ATOM 567 NZ LYS A 37 -8.287 -7.707 13.704 1.00 10.00 N ATOM 0 H LYS A 37 -2.751 -4.568 12.834 1.00 10.00 H new ATOM 0 HA LYS A 37 -4.028 -7.069 13.670 1.00 10.00 H new ATOM 0 HB2 LYS A 37 -3.871 -5.577 11.027 1.00 10.00 H new ATOM 0 HB3 LYS A 37 -4.779 -7.052 11.291 1.00 10.00 H new ATOM 0 HG2 LYS A 37 -5.399 -4.903 13.238 1.00 10.00 H new ATOM 0 HG3 LYS A 37 -5.766 -4.477 11.578 1.00 10.00 H new ATOM 0 HD2 LYS A 37 -7.768 -5.430 12.466 1.00 10.00 H new ATOM 0 HD3 LYS A 37 -7.093 -6.646 11.399 1.00 10.00 H new ATOM 0 HE2 LYS A 37 -6.230 -7.936 13.277 1.00 10.00 H new ATOM 0 HE3 LYS A 37 -6.599 -6.650 14.408 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 -8.256 -8.389 14.489 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 -8.955 -6.944 13.934 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 -8.598 -8.191 12.838 1.00 10.00 H new ATOM 581 N GLY A 38 -1.479 -6.950 11.539 1.00 10.00 N ATOM 582 CA GLY A 38 -0.309 -7.652 11.017 1.00 10.00 C ATOM 583 C GLY A 38 0.180 -6.993 9.724 1.00 10.00 C ATOM 584 O GLY A 38 0.437 -5.792 9.706 1.00 10.00 O ATOM 0 H GLY A 38 -1.576 -6.005 11.167 1.00 10.00 H new ATOM 0 HA2 GLY A 38 0.488 -7.644 11.760 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -0.558 -8.696 10.828 1.00 10.00 H new ATOM 588 N VAL A 39 0.240 -7.768 8.636 1.00 10.00 N ATOM 589 CA VAL A 39 0.667 -7.300 7.314 1.00 10.00 C ATOM 590 C VAL A 39 -0.320 -7.739 6.235 1.00 10.00 C ATOM 591 O VAL A 39 -0.930 -6.912 5.555 1.00 10.00 O ATOM 592 CB VAL A 39 2.104 -7.773 6.992 1.00 10.00 C ATOM 593 CG1 VAL A 39 2.971 -6.547 6.722 1.00 10.00 C ATOM 594 CG2 VAL A 39 2.772 -8.607 8.097 1.00 10.00 C ATOM 0 H VAL A 39 -0.012 -8.756 8.650 1.00 10.00 H new ATOM 0 HA VAL A 39 0.677 -6.210 7.330 1.00 10.00 H new ATOM 0 HB VAL A 39 2.019 -8.428 6.125 1.00 10.00 H new ATOM 0 HG11 VAL A 39 3.988 -6.864 6.493 1.00 10.00 H new ATOM 0 HG12 VAL A 39 2.565 -5.993 5.876 1.00 10.00 H new ATOM 0 HG13 VAL A 39 2.980 -5.907 7.604 1.00 10.00 H new ATOM 0 HG21 VAL A 39 3.775 -8.893 7.781 1.00 10.00 H new ATOM 0 HG22 VAL A 39 2.834 -8.017 9.011 1.00 10.00 H new ATOM 0 HG23 VAL A 39 2.181 -9.504 8.283 1.00 10.00 H new ATOM 604 N ASP A 40 -0.531 -9.049 6.108 1.00 10.00 N ATOM 605 CA ASP A 40 -1.280 -9.688 5.032 1.00 10.00 C ATOM 606 C ASP A 40 -2.809 -9.529 5.172 1.00 10.00 C ATOM 607 O ASP A 40 -3.584 -10.423 4.823 1.00 10.00 O ATOM 608 CB ASP A 40 -0.873 -11.167 4.996 1.00 10.00 C ATOM 609 CG ASP A 40 0.608 -11.405 5.253 1.00 10.00 C ATOM 610 OD1 ASP A 40 1.015 -11.157 6.408 1.00 10.00 O ATOM 611 OD2 ASP A 40 1.297 -11.812 4.293 1.00 10.00 O ATOM 0 H ASP A 40 -0.167 -9.721 6.783 1.00 10.00 H new ATOM 0 HA ASP A 40 -1.033 -9.194 4.092 1.00 10.00 H new ATOM 0 HB2 ASP A 40 -1.453 -11.712 5.741 1.00 10.00 H new ATOM 0 HB3 ASP A 40 -1.134 -11.582 4.023 1.00 10.00 H new ATOM 616 N ASN A 41 -3.244 -8.375 5.676 1.00 10.00 N ATOM 617 CA ASN A 41 -4.620 -7.959 5.906 1.00 10.00 C ATOM 618 C ASN A 41 -4.918 -6.809 4.949 1.00 10.00 C ATOM 619 O ASN A 41 -5.799 -6.876 4.095 1.00 10.00 O ATOM 620 CB ASN A 41 -4.799 -7.514 7.376 1.00 10.00 C ATOM 621 CG ASN A 41 -3.734 -8.031 8.331 1.00 10.00 C ATOM 622 OD1 ASN A 41 -2.950 -7.131 8.903 1.00 10.00 O flip ATOM 623 ND2 ASN A 41 -3.622 -9.225 8.575 1.00 10.00 N flip ATOM 0 H ASN A 41 -2.585 -7.649 5.956 1.00 10.00 H new ATOM 0 HA ASN A 41 -5.311 -8.783 5.726 1.00 10.00 H new ATOM 0 HB2 ASN A 41 -4.803 -6.425 7.414 1.00 10.00 H new ATOM 0 HB3 ASN A 41 -5.775 -7.849 7.726 1.00 10.00 H new ATOM 0 HD21 ASN A 41 -4.239 -9.898 8.121 1.00 10.00 H new ATOM 0 HD22 ASN A 41 -2.912 -9.547 9.233 1.00 10.00 H new ATOM 630 N LEU A 42 -4.107 -5.768 5.071 1.00 10.00 N ATOM 631 CA LEU A 42 -4.243 -4.522 4.346 1.00 10.00 C ATOM 632 C LEU A 42 -3.980 -4.746 2.849 1.00 10.00 C ATOM 633 O LEU A 42 -4.629 -4.129 2.007 1.00 10.00 O ATOM 634 CB LEU A 42 -3.291 -3.538 5.025 1.00 10.00 C ATOM 635 CG LEU A 42 -3.742 -3.272 6.480 1.00 10.00 C ATOM 636 CD1 LEU A 42 -2.537 -3.184 7.416 1.00 10.00 C ATOM 637 CD2 LEU A 42 -4.584 -1.998 6.588 1.00 10.00 C ATOM 0 H LEU A 42 -3.307 -5.773 5.703 1.00 10.00 H new ATOM 0 HA LEU A 42 -5.252 -4.110 4.379 1.00 10.00 H new ATOM 0 HB2 LEU A 42 -2.277 -3.939 5.019 1.00 10.00 H new ATOM 0 HB3 LEU A 42 -3.267 -2.602 4.468 1.00 10.00 H new ATOM 0 HG LEU A 42 -4.364 -4.114 6.783 1.00 10.00 H new ATOM 0 HD11 LEU A 42 -2.880 -2.996 8.434 1.00 10.00 H new ATOM 0 HD12 LEU A 42 -1.984 -4.123 7.387 1.00 10.00 H new ATOM 0 HD13 LEU A 42 -1.887 -2.370 7.096 1.00 10.00 H new ATOM 0 HD21 LEU A 42 -4.882 -1.845 7.625 1.00 10.00 H new ATOM 0 HD22 LEU A 42 -3.997 -1.144 6.250 1.00 10.00 H new ATOM 0 HD23 LEU A 42 -5.474 -2.096 5.966 1.00 10.00 H new ATOM 649 N VAL A 43 -3.134 -5.734 2.522 1.00 10.00 N ATOM 650 CA VAL A 43 -2.920 -6.273 1.183 1.00 10.00 C ATOM 651 C VAL A 43 -4.206 -6.773 0.504 1.00 10.00 C ATOM 652 O VAL A 43 -4.246 -6.927 -0.716 1.00 10.00 O ATOM 653 CB VAL A 43 -1.863 -7.380 1.262 1.00 10.00 C ATOM 654 CG1 VAL A 43 -2.485 -8.735 1.610 1.00 10.00 C ATOM 655 CG2 VAL A 43 -1.070 -7.491 -0.044 1.00 10.00 C ATOM 0 H VAL A 43 -2.555 -6.197 3.223 1.00 10.00 H new ATOM 0 HA VAL A 43 -2.568 -5.459 0.549 1.00 10.00 H new ATOM 0 HB VAL A 43 -1.178 -7.102 2.063 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.703 -9.493 1.656 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -2.984 -8.669 2.577 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -3.211 -9.009 0.845 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -0.329 -8.285 0.047 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.750 -7.721 -0.864 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.566 -6.546 -0.245 1.00 10.00 H new ATOM 665 N LYS A 44 -5.269 -7.007 1.280 1.00 10.00 N ATOM 666 CA LYS A 44 -6.589 -7.320 0.740 1.00 10.00 C ATOM 667 C LYS A 44 -7.476 -6.081 0.572 1.00 10.00 C ATOM 668 O LYS A 44 -8.089 -5.923 -0.482 1.00 10.00 O ATOM 669 CB LYS A 44 -7.253 -8.451 1.520 1.00 10.00 C ATOM 670 CG LYS A 44 -6.415 -9.729 1.317 1.00 10.00 C ATOM 671 CD LYS A 44 -6.637 -10.804 2.380 1.00 10.00 C ATOM 672 CE LYS A 44 -6.497 -10.182 3.764 1.00 10.00 C ATOM 673 NZ LYS A 44 -6.073 -11.176 4.774 1.00 10.00 N ATOM 0 H LYS A 44 -5.235 -6.984 2.299 1.00 10.00 H new ATOM 0 HA LYS A 44 -6.445 -7.690 -0.275 1.00 10.00 H new ATOM 0 HB2 LYS A 44 -7.313 -8.199 2.579 1.00 10.00 H new ATOM 0 HB3 LYS A 44 -8.274 -8.606 1.171 1.00 10.00 H new ATOM 0 HG2 LYS A 44 -6.647 -10.149 0.338 1.00 10.00 H new ATOM 0 HG3 LYS A 44 -5.359 -9.459 1.306 1.00 10.00 H new ATOM 0 HD2 LYS A 44 -7.627 -11.245 2.266 1.00 10.00 H new ATOM 0 HD3 LYS A 44 -5.913 -11.609 2.256 1.00 10.00 H new ATOM 0 HE2 LYS A 44 -5.770 -9.370 3.726 1.00 10.00 H new ATOM 0 HE3 LYS A 44 -7.449 -9.744 4.063 1.00 10.00 H new ATOM 0 HZ1 LYS A 44 -6.660 -11.076 5.627 1.00 10.00 H new ATOM 0 HZ2 LYS A 44 -6.185 -12.134 4.386 1.00 10.00 H new ATOM 0 HZ3 LYS A 44 -5.075 -11.017 5.020 1.00 10.00 H new ATOM 687 N SER A 45 -7.508 -5.166 1.548 1.00 10.00 N ATOM 688 CA SER A 45 -8.267 -3.918 1.472 1.00 10.00 C ATOM 689 C SER A 45 -7.745 -3.063 0.307 1.00 10.00 C ATOM 690 O SER A 45 -8.495 -2.381 -0.392 1.00 10.00 O ATOM 691 CB SER A 45 -8.190 -3.158 2.792 1.00 10.00 C ATOM 692 OG SER A 45 -8.381 -4.048 3.880 1.00 10.00 O ATOM 0 H SER A 45 -6.999 -5.276 2.425 1.00 10.00 H new ATOM 0 HA SER A 45 -9.316 -4.151 1.288 1.00 10.00 H new ATOM 0 HB2 SER A 45 -7.222 -2.666 2.881 1.00 10.00 H new ATOM 0 HB3 SER A 45 -8.949 -2.376 2.815 1.00 10.00 H new ATOM 0 HG SER A 45 -8.328 -3.551 4.723 1.00 10.00 H new ATOM 698 N VAL A 46 -6.443 -3.177 0.041 1.00 10.00 N ATOM 699 CA VAL A 46 -5.837 -2.599 -1.145 1.00 10.00 C ATOM 700 C VAL A 46 -6.255 -3.312 -2.438 1.00 10.00 C ATOM 701 O VAL A 46 -6.481 -2.656 -3.456 1.00 10.00 O ATOM 702 CB VAL A 46 -4.319 -2.512 -0.931 1.00 10.00 C ATOM 703 CG1 VAL A 46 -3.675 -3.875 -1.070 1.00 10.00 C ATOM 704 CG2 VAL A 46 -3.589 -1.649 -1.936 1.00 10.00 C ATOM 0 H VAL A 46 -5.786 -3.672 0.644 1.00 10.00 H new ATOM 0 HA VAL A 46 -6.213 -1.586 -1.288 1.00 10.00 H new ATOM 0 HB VAL A 46 -4.229 -2.082 0.066 1.00 10.00 H new ATOM 0 HG11 VAL A 46 -2.600 -3.787 -0.914 1.00 10.00 H new ATOM 0 HG12 VAL A 46 -4.095 -4.553 -0.327 1.00 10.00 H new ATOM 0 HG13 VAL A 46 -3.866 -4.267 -2.069 1.00 10.00 H new ATOM 0 HG21 VAL A 46 -2.523 -1.646 -1.707 1.00 10.00 H new ATOM 0 HG22 VAL A 46 -3.744 -2.048 -2.939 1.00 10.00 H new ATOM 0 HG23 VAL A 46 -3.973 -0.630 -1.888 1.00 10.00 H new ATOM 714 N LYS A 47 -6.385 -4.646 -2.425 1.00 10.00 N ATOM 715 CA LYS A 47 -6.779 -5.361 -3.641 1.00 10.00 C ATOM 716 C LYS A 47 -8.252 -5.125 -4.009 1.00 10.00 C ATOM 717 O LYS A 47 -8.610 -5.070 -5.179 1.00 10.00 O ATOM 718 CB LYS A 47 -6.367 -6.835 -3.587 1.00 10.00 C ATOM 719 CG LYS A 47 -7.470 -7.819 -3.179 1.00 10.00 C ATOM 720 CD LYS A 47 -6.833 -9.059 -2.533 1.00 10.00 C ATOM 721 CE LYS A 47 -6.802 -10.331 -3.403 1.00 10.00 C ATOM 722 NZ LYS A 47 -5.524 -11.090 -3.274 1.00 10.00 N ATOM 0 H LYS A 47 -6.227 -5.236 -1.608 1.00 10.00 H new ATOM 0 HA LYS A 47 -6.220 -4.934 -4.474 1.00 10.00 H new ATOM 0 HB2 LYS A 47 -5.992 -7.125 -4.569 1.00 10.00 H new ATOM 0 HB3 LYS A 47 -5.538 -6.936 -2.887 1.00 10.00 H new ATOM 0 HG2 LYS A 47 -8.157 -7.343 -2.479 1.00 10.00 H new ATOM 0 HG3 LYS A 47 -8.055 -8.110 -4.052 1.00 10.00 H new ATOM 0 HD2 LYS A 47 -5.810 -8.812 -2.249 1.00 10.00 H new ATOM 0 HD3 LYS A 47 -7.374 -9.284 -1.614 1.00 10.00 H new ATOM 0 HE2 LYS A 47 -7.633 -10.978 -3.122 1.00 10.00 H new ATOM 0 HE3 LYS A 47 -6.951 -10.055 -4.447 1.00 10.00 H new ATOM 0 HZ1 LYS A 47 -5.392 -11.692 -4.111 1.00 10.00 H new ATOM 0 HZ2 LYS A 47 -4.730 -10.423 -3.199 1.00 10.00 H new ATOM 0 HZ3 LYS A 47 -5.558 -11.685 -2.422 1.00 10.00 H new ATOM 736 N THR A 48 -9.106 -4.950 -2.999 1.00 10.00 N ATOM 737 CA THR A 48 -10.518 -4.582 -3.176 1.00 10.00 C ATOM 738 C THR A 48 -10.717 -3.103 -3.544 1.00 10.00 C ATOM 739 O THR A 48 -11.597 -2.784 -4.340 1.00 10.00 O ATOM 740 CB THR A 48 -11.318 -4.966 -1.921 1.00 10.00 C ATOM 741 OG1 THR A 48 -12.681 -4.674 -2.018 1.00 10.00 O ATOM 742 CG2 THR A 48 -10.885 -4.199 -0.687 1.00 10.00 C ATOM 0 H THR A 48 -8.836 -5.060 -2.022 1.00 10.00 H new ATOM 0 HA THR A 48 -10.897 -5.146 -4.028 1.00 10.00 H new ATOM 0 HB THR A 48 -11.130 -6.037 -1.841 1.00 10.00 H new ATOM 0 HG1 THR A 48 -13.133 -4.943 -1.191 1.00 10.00 H new ATOM 0 HG21 THR A 48 -11.486 -4.513 0.166 1.00 10.00 H new ATOM 0 HG22 THR A 48 -9.833 -4.400 -0.484 1.00 10.00 H new ATOM 0 HG23 THR A 48 -11.024 -3.131 -0.855 1.00 10.00 H new ATOM 750 N GLY A 49 -9.904 -2.195 -2.985 1.00 10.00 N ATOM 751 CA GLY A 49 -10.158 -0.758 -3.046 1.00 10.00 C ATOM 752 C GLY A 49 -11.141 -0.314 -1.964 1.00 10.00 C ATOM 753 O GLY A 49 -12.298 -0.727 -1.946 1.00 10.00 O ATOM 0 H GLY A 49 -9.053 -2.441 -2.479 1.00 10.00 H new ATOM 0 HA2 GLY A 49 -9.219 -0.217 -2.930 1.00 10.00 H new ATOM 0 HA3 GLY A 49 -10.555 -0.500 -4.028 1.00 10.00 H new ATOM 757 N LEU A 50 -10.676 0.551 -1.064 1.00 10.00 N ATOM 758 CA LEU A 50 -11.540 1.329 -0.179 1.00 10.00 C ATOM 759 C LEU A 50 -12.250 2.456 -0.982 1.00 10.00 C ATOM 760 O LEU A 50 -12.496 2.302 -2.174 1.00 10.00 O ATOM 761 CB LEU A 50 -10.677 1.815 0.997 1.00 10.00 C ATOM 762 CG LEU A 50 -11.484 2.086 2.277 1.00 10.00 C ATOM 763 CD1 LEU A 50 -11.413 0.864 3.200 1.00 10.00 C ATOM 764 CD2 LEU A 50 -10.923 3.306 3.015 1.00 10.00 C ATOM 0 H LEU A 50 -9.682 0.733 -0.928 1.00 10.00 H new ATOM 0 HA LEU A 50 -12.353 0.735 0.238 1.00 10.00 H new ATOM 0 HB2 LEU A 50 -9.913 1.068 1.210 1.00 10.00 H new ATOM 0 HB3 LEU A 50 -10.158 2.727 0.704 1.00 10.00 H new ATOM 0 HG LEU A 50 -12.520 2.282 2.000 1.00 10.00 H new ATOM 0 HD11 LEU A 50 -11.986 1.059 4.107 1.00 10.00 H new ATOM 0 HD12 LEU A 50 -11.829 -0.004 2.688 1.00 10.00 H new ATOM 0 HD13 LEU A 50 -10.374 0.667 3.463 1.00 10.00 H new ATOM 0 HD21 LEU A 50 -11.506 3.484 3.919 1.00 10.00 H new ATOM 0 HD22 LEU A 50 -9.883 3.122 3.284 1.00 10.00 H new ATOM 0 HD23 LEU A 50 -10.981 4.181 2.368 1.00 10.00 H new ATOM 776 N ASN A 51 -12.599 3.601 -0.379 1.00 10.00 N ATOM 777 CA ASN A 51 -13.418 4.621 -1.062 1.00 10.00 C ATOM 778 C ASN A 51 -12.606 5.423 -2.089 1.00 10.00 C ATOM 779 O ASN A 51 -12.822 5.343 -3.294 1.00 10.00 O ATOM 780 CB ASN A 51 -14.083 5.570 -0.048 1.00 10.00 C ATOM 781 CG ASN A 51 -14.602 4.820 1.165 1.00 10.00 C ATOM 782 OD1 ASN A 51 -15.703 4.289 1.177 1.00 10.00 O ATOM 783 ND2 ASN A 51 -13.775 4.743 2.198 1.00 10.00 N ATOM 0 H ASN A 51 -12.331 3.846 0.574 1.00 10.00 H new ATOM 0 HA ASN A 51 -14.198 4.086 -1.603 1.00 10.00 H new ATOM 0 HB2 ASN A 51 -13.364 6.324 0.271 1.00 10.00 H new ATOM 0 HB3 ASN A 51 -14.906 6.098 -0.529 1.00 10.00 H new ATOM 0 HD21 ASN A 51 -14.051 4.229 3.035 1.00 10.00 H new ATOM 0 HD22 ASN A 51 -12.863 5.198 2.156 1.00 10.00 H new ATOM 790 N ALA A 52 -11.659 6.212 -1.581 1.00 10.00 N ATOM 791 CA ALA A 52 -10.702 6.981 -2.369 1.00 10.00 C ATOM 792 C ALA A 52 -9.538 6.108 -2.871 1.00 10.00 C ATOM 793 O ALA A 52 -8.767 6.528 -3.733 1.00 10.00 O ATOM 794 CB ALA A 52 -10.209 8.129 -1.488 1.00 10.00 C ATOM 0 H ALA A 52 -11.535 6.336 -0.576 1.00 10.00 H new ATOM 0 HA ALA A 52 -11.182 7.371 -3.267 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.489 8.730 -2.043 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -11.054 8.753 -1.197 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.732 7.724 -0.595 1.00 10.00 H new ATOM 800 N MET A 53 -9.410 4.889 -2.337 1.00 10.00 N ATOM 801 CA MET A 53 -8.463 3.895 -2.834 1.00 10.00 C ATOM 802 C MET A 53 -8.981 3.212 -4.109 1.00 10.00 C ATOM 803 O MET A 53 -10.100 2.702 -4.112 1.00 10.00 O ATOM 804 CB MET A 53 -8.243 2.849 -1.741 1.00 10.00 C ATOM 805 CG MET A 53 -7.115 3.270 -0.801 1.00 10.00 C ATOM 806 SD MET A 53 -5.567 2.417 -1.198 1.00 10.00 S ATOM 807 CE MET A 53 -5.807 0.989 -0.117 1.00 10.00 C ATOM 0 H MET A 53 -9.965 4.566 -1.544 1.00 10.00 H new ATOM 0 HA MET A 53 -7.527 4.393 -3.085 1.00 10.00 H new ATOM 0 HB2 MET A 53 -9.163 2.712 -1.173 1.00 10.00 H new ATOM 0 HB3 MET A 53 -8.003 1.888 -2.195 1.00 10.00 H new ATOM 0 HG2 MET A 53 -6.966 4.348 -0.870 1.00 10.00 H new ATOM 0 HG3 MET A 53 -7.398 3.052 0.229 1.00 10.00 H new ATOM 0 HE1 MET A 53 -4.915 0.363 -0.138 1.00 10.00 H new ATOM 0 HE2 MET A 53 -5.987 1.330 0.902 1.00 10.00 H new ATOM 0 HE3 MET A 53 -6.664 0.411 -0.463 1.00 10.00 H new ATOM 817 N PRO A 54 -8.183 3.144 -5.186 1.00 10.00 N ATOM 818 CA PRO A 54 -8.591 2.451 -6.395 1.00 10.00 C ATOM 819 C PRO A 54 -8.644 0.935 -6.142 1.00 10.00 C ATOM 820 O PRO A 54 -7.830 0.409 -5.379 1.00 10.00 O ATOM 821 CB PRO A 54 -7.545 2.831 -7.447 1.00 10.00 C ATOM 822 CG PRO A 54 -6.290 3.083 -6.614 1.00 10.00 C ATOM 823 CD PRO A 54 -6.827 3.653 -5.302 1.00 10.00 C ATOM 0 HA PRO A 54 -9.590 2.731 -6.728 1.00 10.00 H new ATOM 0 HB2 PRO A 54 -7.394 2.031 -8.172 1.00 10.00 H new ATOM 0 HB3 PRO A 54 -7.841 3.718 -8.008 1.00 10.00 H new ATOM 0 HG2 PRO A 54 -5.728 2.163 -6.450 1.00 10.00 H new ATOM 0 HG3 PRO A 54 -5.617 3.784 -7.108 1.00 10.00 H new ATOM 0 HD2 PRO A 54 -6.215 3.337 -4.457 1.00 10.00 H new ATOM 0 HD3 PRO A 54 -6.816 4.743 -5.314 1.00 10.00 H new ATOM 831 N PRO A 55 -9.587 0.216 -6.773 1.00 10.00 N ATOM 832 CA PRO A 55 -9.684 -1.230 -6.651 1.00 10.00 C ATOM 833 C PRO A 55 -8.411 -1.878 -7.183 1.00 10.00 C ATOM 834 O PRO A 55 -7.943 -1.515 -8.262 1.00 10.00 O ATOM 835 CB PRO A 55 -10.945 -1.621 -7.430 1.00 10.00 C ATOM 836 CG PRO A 55 -11.067 -0.518 -8.481 1.00 10.00 C ATOM 837 CD PRO A 55 -10.546 0.718 -7.745 1.00 10.00 C ATOM 0 HA PRO A 55 -9.771 -1.574 -5.620 1.00 10.00 H new ATOM 0 HB2 PRO A 55 -10.845 -2.605 -7.889 1.00 10.00 H new ATOM 0 HB3 PRO A 55 -11.822 -1.659 -6.783 1.00 10.00 H new ATOM 0 HG2 PRO A 55 -10.474 -0.739 -9.369 1.00 10.00 H new ATOM 0 HG3 PRO A 55 -12.098 -0.387 -8.811 1.00 10.00 H new ATOM 0 HD2 PRO A 55 -10.075 1.417 -8.436 1.00 10.00 H new ATOM 0 HD3 PRO A 55 -11.358 1.254 -7.254 1.00 10.00 H new ATOM 845 N GLY A 56 -7.796 -2.789 -6.417 1.00 10.00 N ATOM 846 CA GLY A 56 -6.563 -3.396 -6.883 1.00 10.00 C ATOM 847 C GLY A 56 -5.376 -2.440 -6.774 1.00 10.00 C ATOM 848 O GLY A 56 -4.421 -2.569 -7.532 1.00 10.00 O ATOM 0 H GLY A 56 -8.125 -3.107 -5.505 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -6.359 -4.295 -6.301 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -6.682 -3.708 -7.920 1.00 10.00 H new ATOM 852 N GLY A 57 -5.437 -1.484 -5.838 1.00 10.00 N ATOM 853 CA GLY A 57 -4.393 -0.505 -5.536 1.00 10.00 C ATOM 854 C GLY A 57 -3.671 0.100 -6.747 1.00 10.00 C ATOM 855 O GLY A 57 -2.481 0.391 -6.666 1.00 10.00 O ATOM 0 H GLY A 57 -6.258 -1.370 -5.243 1.00 10.00 H new ATOM 0 HA2 GLY A 57 -4.838 0.306 -4.960 1.00 10.00 H new ATOM 0 HA3 GLY A 57 -3.651 -0.980 -4.895 1.00 10.00 H new ATOM 859 N MET A 58 -4.390 0.306 -7.855 1.00 10.00 N ATOM 860 CA MET A 58 -3.845 0.788 -9.127 1.00 10.00 C ATOM 861 C MET A 58 -2.775 -0.159 -9.720 1.00 10.00 C ATOM 862 O MET A 58 -1.773 0.270 -10.288 1.00 10.00 O ATOM 863 CB MET A 58 -3.385 2.252 -8.975 1.00 10.00 C ATOM 864 CG MET A 58 -3.831 3.095 -10.178 1.00 10.00 C ATOM 865 SD MET A 58 -3.122 2.641 -11.781 1.00 10.00 S ATOM 866 CE MET A 58 -4.251 3.511 -12.881 1.00 10.00 C ATOM 0 H MET A 58 -5.395 0.137 -7.892 1.00 10.00 H new ATOM 0 HA MET A 58 -4.638 0.777 -9.875 1.00 10.00 H new ATOM 0 HB2 MET A 58 -3.797 2.673 -8.058 1.00 10.00 H new ATOM 0 HB3 MET A 58 -2.300 2.288 -8.883 1.00 10.00 H new ATOM 0 HG2 MET A 58 -4.917 3.035 -10.254 1.00 10.00 H new ATOM 0 HG3 MET A 58 -3.583 4.137 -9.977 1.00 10.00 H new ATOM 0 HE1 MET A 58 -3.957 3.337 -13.916 1.00 10.00 H new ATOM 0 HE2 MET A 58 -5.265 3.144 -12.726 1.00 10.00 H new ATOM 0 HE3 MET A 58 -4.215 4.579 -12.668 1.00 10.00 H new ATOM 876 N CYS A 59 -3.002 -1.467 -9.577 1.00 10.00 N ATOM 877 CA CYS A 59 -2.153 -2.557 -10.050 1.00 10.00 C ATOM 878 C CYS A 59 -2.988 -3.533 -10.900 1.00 10.00 C ATOM 879 O CYS A 59 -4.178 -3.701 -10.640 1.00 10.00 O ATOM 880 CB CYS A 59 -1.531 -3.221 -8.811 1.00 10.00 C ATOM 881 SG CYS A 59 0.214 -3.675 -8.926 1.00 10.00 S ATOM 0 H CYS A 59 -3.834 -1.811 -9.099 1.00 10.00 H new ATOM 0 HA CYS A 59 -1.350 -2.201 -10.695 1.00 10.00 H new ATOM 0 HB2 CYS A 59 -1.652 -2.544 -7.965 1.00 10.00 H new ATOM 0 HB3 CYS A 59 -2.103 -4.121 -8.584 1.00 10.00 H new ATOM 886 N THR A 60 -2.382 -4.169 -11.910 1.00 10.00 N ATOM 887 CA THR A 60 -3.071 -5.121 -12.796 1.00 10.00 C ATOM 888 C THR A 60 -2.470 -6.518 -12.641 1.00 10.00 C ATOM 889 O THR A 60 -3.029 -7.370 -11.954 1.00 10.00 O ATOM 890 CB THR A 60 -3.030 -4.644 -14.261 1.00 10.00 C ATOM 891 OG1 THR A 60 -3.638 -3.376 -14.358 1.00 10.00 O ATOM 892 CG2 THR A 60 -3.775 -5.599 -15.199 1.00 10.00 C ATOM 0 H THR A 60 -1.396 -4.039 -12.138 1.00 10.00 H new ATOM 0 HA THR A 60 -4.120 -5.171 -12.504 1.00 10.00 H new ATOM 0 HB THR A 60 -1.982 -4.607 -14.560 1.00 10.00 H new ATOM 0 HG1 THR A 60 -3.611 -3.071 -15.289 1.00 10.00 H new ATOM 0 HG21 THR A 60 -3.720 -5.223 -16.220 1.00 10.00 H new ATOM 0 HG22 THR A 60 -3.317 -6.587 -15.151 1.00 10.00 H new ATOM 0 HG23 THR A 60 -4.819 -5.668 -14.894 1.00 10.00 H new ATOM 900 N ASP A 61 -1.308 -6.751 -13.256 1.00 10.00 N ATOM 901 CA ASP A 61 -0.663 -8.052 -13.335 1.00 10.00 C ATOM 902 C ASP A 61 0.073 -8.390 -12.013 1.00 10.00 C ATOM 903 O ASP A 61 1.231 -8.797 -12.031 1.00 10.00 O ATOM 904 CB ASP A 61 0.281 -7.998 -14.555 1.00 10.00 C ATOM 905 CG ASP A 61 -0.350 -7.429 -15.824 1.00 10.00 C ATOM 906 OD1 ASP A 61 -1.066 -8.188 -16.505 1.00 10.00 O ATOM 907 OD2 ASP A 61 -0.114 -6.226 -16.092 1.00 10.00 O ATOM 0 H ASP A 61 -0.780 -6.015 -13.724 1.00 10.00 H new ATOM 0 HA ASP A 61 -1.388 -8.855 -13.467 1.00 10.00 H new ATOM 0 HB2 ASP A 61 1.152 -7.396 -14.297 1.00 10.00 H new ATOM 0 HB3 ASP A 61 0.640 -9.006 -14.764 1.00 10.00 H new ATOM 912 N CYS A 62 -0.586 -8.179 -10.864 1.00 10.00 N ATOM 913 CA CYS A 62 -0.002 -8.172 -9.522 1.00 10.00 C ATOM 914 C CYS A 62 -0.735 -9.154 -8.601 1.00 10.00 C ATOM 915 O CYS A 62 -1.962 -9.212 -8.657 1.00 10.00 O ATOM 916 CB CYS A 62 -0.098 -6.749 -8.953 1.00 10.00 C ATOM 917 SG CYS A 62 0.274 -5.408 -10.118 1.00 10.00 S ATOM 0 H CYS A 62 -1.590 -8.000 -10.849 1.00 10.00 H new ATOM 0 HA CYS A 62 1.041 -8.484 -9.582 1.00 10.00 H new ATOM 0 HB2 CYS A 62 -1.106 -6.600 -8.566 1.00 10.00 H new ATOM 0 HB3 CYS A 62 0.584 -6.669 -8.106 1.00 10.00 H new ATOM 922 N THR A 63 -0.018 -9.913 -7.757 1.00 10.00 N ATOM 923 CA THR A 63 -0.662 -10.986 -6.991 1.00 10.00 C ATOM 924 C THR A 63 -0.669 -10.633 -5.503 1.00 10.00 C ATOM 925 O THR A 63 -1.454 -9.793 -5.070 1.00 10.00 O ATOM 926 CB THR A 63 -0.006 -12.337 -7.341 1.00 10.00 C ATOM 927 OG1 THR A 63 -0.062 -12.513 -8.738 1.00 10.00 O ATOM 928 CG2 THR A 63 -0.736 -13.534 -6.724 1.00 10.00 C ATOM 0 H THR A 63 0.983 -9.807 -7.591 1.00 10.00 H new ATOM 0 HA THR A 63 -1.712 -11.091 -7.264 1.00 10.00 H new ATOM 0 HB THR A 63 1.011 -12.304 -6.950 1.00 10.00 H new ATOM 0 HG1 THR A 63 0.353 -13.368 -8.977 1.00 10.00 H new ATOM 0 HG21 THR A 63 -0.227 -14.456 -7.006 1.00 10.00 H new ATOM 0 HG22 THR A 63 -0.738 -13.439 -5.638 1.00 10.00 H new ATOM 0 HG23 THR A 63 -1.763 -13.561 -7.088 1.00 10.00 H new ATOM 936 N ASP A 64 0.223 -11.251 -4.731 1.00 10.00 N ATOM 937 CA ASP A 64 0.333 -11.073 -3.303 1.00 10.00 C ATOM 938 C ASP A 64 1.822 -11.025 -2.917 1.00 10.00 C ATOM 939 O ASP A 64 2.223 -10.081 -2.253 1.00 10.00 O ATOM 940 CB ASP A 64 -0.503 -12.168 -2.630 1.00 10.00 C ATOM 941 CG ASP A 64 -1.869 -11.656 -2.153 1.00 10.00 C ATOM 942 OD1 ASP A 64 -1.879 -11.087 -1.041 1.00 10.00 O ATOM 943 OD2 ASP A 64 -2.887 -11.841 -2.867 1.00 10.00 O ATOM 0 H ASP A 64 0.907 -11.909 -5.105 1.00 10.00 H new ATOM 0 HA ASP A 64 -0.074 -10.125 -2.951 1.00 10.00 H new ATOM 0 HB2 ASP A 64 -0.651 -12.990 -3.331 1.00 10.00 H new ATOM 0 HB3 ASP A 64 0.048 -12.570 -1.780 1.00 10.00 H new ATOM 948 N GLU A 65 2.672 -11.956 -3.378 1.00 10.00 N ATOM 949 CA GLU A 65 4.119 -11.909 -3.126 1.00 10.00 C ATOM 950 C GLU A 65 4.738 -10.510 -3.308 1.00 10.00 C ATOM 951 O GLU A 65 5.245 -9.930 -2.342 1.00 10.00 O ATOM 952 CB GLU A 65 4.849 -12.957 -3.981 1.00 10.00 C ATOM 953 CG GLU A 65 4.412 -14.389 -3.631 1.00 10.00 C ATOM 954 CD GLU A 65 5.515 -15.411 -3.887 1.00 10.00 C ATOM 955 OE1 GLU A 65 6.496 -15.374 -3.115 1.00 10.00 O ATOM 956 OE2 GLU A 65 5.345 -16.210 -4.832 1.00 10.00 O ATOM 0 H GLU A 65 2.376 -12.759 -3.933 1.00 10.00 H new ATOM 0 HA GLU A 65 4.253 -12.151 -2.072 1.00 10.00 H new ATOM 0 HB2 GLU A 65 4.653 -12.765 -5.036 1.00 10.00 H new ATOM 0 HB3 GLU A 65 5.925 -12.860 -3.834 1.00 10.00 H new ATOM 0 HG2 GLU A 65 4.118 -14.430 -2.582 1.00 10.00 H new ATOM 0 HG3 GLU A 65 3.533 -14.652 -4.219 1.00 10.00 H new ATOM 963 N ASP A 66 4.645 -9.927 -4.512 1.00 10.00 N ATOM 964 CA ASP A 66 5.242 -8.612 -4.737 1.00 10.00 C ATOM 965 C ASP A 66 4.391 -7.518 -4.062 1.00 10.00 C ATOM 966 O ASP A 66 4.905 -6.512 -3.570 1.00 10.00 O ATOM 967 CB ASP A 66 5.457 -8.421 -6.251 1.00 10.00 C ATOM 968 CG ASP A 66 6.695 -9.128 -6.793 1.00 10.00 C ATOM 969 OD1 ASP A 66 7.678 -9.253 -6.033 1.00 10.00 O ATOM 970 OD2 ASP A 66 6.629 -9.519 -7.976 1.00 10.00 O ATOM 0 H ASP A 66 4.176 -10.334 -5.321 1.00 10.00 H new ATOM 0 HA ASP A 66 6.224 -8.533 -4.270 1.00 10.00 H new ATOM 0 HB2 ASP A 66 4.579 -8.789 -6.782 1.00 10.00 H new ATOM 0 HB3 ASP A 66 5.536 -7.355 -6.465 1.00 10.00 H new ATOM 975 N TYR A 67 3.077 -7.747 -3.958 1.00 10.00 N ATOM 976 CA TYR A 67 2.141 -6.836 -3.311 1.00 10.00 C ATOM 977 C TYR A 67 2.440 -6.627 -1.808 1.00 10.00 C ATOM 978 O TYR A 67 2.479 -5.497 -1.326 1.00 10.00 O ATOM 979 CB TYR A 67 0.728 -7.384 -3.586 1.00 10.00 C ATOM 980 CG TYR A 67 -0.331 -6.388 -4.010 1.00 10.00 C ATOM 981 CD1 TYR A 67 -0.042 -5.367 -4.938 1.00 10.00 C ATOM 982 CD2 TYR A 67 -1.666 -6.615 -3.631 1.00 10.00 C ATOM 983 CE1 TYR A 67 -1.035 -4.434 -5.283 1.00 10.00 C ATOM 984 CE2 TYR A 67 -2.669 -5.719 -4.027 1.00 10.00 C ATOM 985 CZ TYR A 67 -2.336 -4.591 -4.788 1.00 10.00 C ATOM 986 OH TYR A 67 -3.264 -3.627 -5.002 1.00 10.00 O ATOM 0 H TYR A 67 2.632 -8.586 -4.329 1.00 10.00 H new ATOM 0 HA TYR A 67 2.238 -5.833 -3.726 1.00 10.00 H new ATOM 0 HB2 TYR A 67 0.806 -8.145 -4.363 1.00 10.00 H new ATOM 0 HB3 TYR A 67 0.378 -7.885 -2.683 1.00 10.00 H new ATOM 0 HD1 TYR A 67 0.940 -5.302 -5.383 1.00 10.00 H new ATOM 0 HD2 TYR A 67 -1.919 -7.479 -3.035 1.00 10.00 H new ATOM 0 HE1 TYR A 67 -0.796 -3.600 -5.927 1.00 10.00 H new ATOM 0 HE2 TYR A 67 -3.696 -5.898 -3.746 1.00 10.00 H new ATOM 0 HH TYR A 67 -4.114 -3.894 -4.593 1.00 10.00 H new ATOM 996 N LYS A 68 2.719 -7.705 -1.068 1.00 10.00 N ATOM 997 CA LYS A 68 3.133 -7.664 0.333 1.00 10.00 C ATOM 998 C LYS A 68 4.455 -6.914 0.421 1.00 10.00 C ATOM 999 O LYS A 68 4.558 -5.914 1.120 1.00 10.00 O ATOM 1000 CB LYS A 68 3.339 -9.069 0.931 1.00 10.00 C ATOM 1001 CG LYS A 68 2.097 -9.752 1.523 1.00 10.00 C ATOM 1002 CD LYS A 68 1.413 -10.681 0.512 1.00 10.00 C ATOM 1003 CE LYS A 68 0.455 -11.672 1.181 1.00 10.00 C ATOM 1004 NZ LYS A 68 1.183 -12.723 1.918 1.00 10.00 N ATOM 0 H LYS A 68 2.661 -8.653 -1.439 1.00 10.00 H new ATOM 0 HA LYS A 68 2.341 -7.171 0.898 1.00 10.00 H new ATOM 0 HB2 LYS A 68 3.745 -9.715 0.152 1.00 10.00 H new ATOM 0 HB3 LYS A 68 4.095 -8.999 1.713 1.00 10.00 H new ATOM 0 HG2 LYS A 68 2.384 -10.325 2.405 1.00 10.00 H new ATOM 0 HG3 LYS A 68 1.389 -8.992 1.854 1.00 10.00 H new ATOM 0 HD2 LYS A 68 0.863 -10.081 -0.213 1.00 10.00 H new ATOM 0 HD3 LYS A 68 2.173 -11.232 -0.042 1.00 10.00 H new ATOM 0 HE2 LYS A 68 -0.203 -11.136 1.866 1.00 10.00 H new ATOM 0 HE3 LYS A 68 -0.180 -12.132 0.424 1.00 10.00 H new ATOM 0 HZ1 LYS A 68 0.700 -13.635 1.790 1.00 10.00 H new ATOM 0 HZ2 LYS A 68 2.155 -12.792 1.554 1.00 10.00 H new ATOM 0 HZ3 LYS A 68 1.208 -12.484 2.930 1.00 10.00 H new ATOM 1018 N ALA A 69 5.463 -7.383 -0.320 1.00 10.00 N ATOM 1019 CA ALA A 69 6.772 -6.750 -0.358 1.00 10.00 C ATOM 1020 C ALA A 69 6.692 -5.241 -0.655 1.00 10.00 C ATOM 1021 O ALA A 69 7.484 -4.465 -0.131 1.00 10.00 O ATOM 1022 CB ALA A 69 7.644 -7.504 -1.359 1.00 10.00 C ATOM 0 H ALA A 69 5.388 -8.213 -0.908 1.00 10.00 H new ATOM 0 HA ALA A 69 7.229 -6.811 0.630 1.00 10.00 H new ATOM 0 HB1 ALA A 69 8.631 -7.043 -1.401 1.00 10.00 H new ATOM 0 HB2 ALA A 69 7.742 -8.543 -1.046 1.00 10.00 H new ATOM 0 HB3 ALA A 69 7.183 -7.464 -2.346 1.00 10.00 H new ATOM 1028 N ALA A 70 5.721 -4.801 -1.462 1.00 10.00 N ATOM 1029 CA ALA A 70 5.480 -3.379 -1.737 1.00 10.00 C ATOM 1030 C ALA A 70 5.017 -2.624 -0.480 1.00 10.00 C ATOM 1031 O ALA A 70 5.553 -1.566 -0.148 1.00 10.00 O ATOM 1032 CB ALA A 70 4.481 -3.235 -2.889 1.00 10.00 C ATOM 0 H ALA A 70 5.076 -5.425 -1.946 1.00 10.00 H new ATOM 0 HA ALA A 70 6.422 -2.921 -2.039 1.00 10.00 H new ATOM 0 HB1 ALA A 70 4.306 -2.178 -3.089 1.00 10.00 H new ATOM 0 HB2 ALA A 70 4.885 -3.711 -3.782 1.00 10.00 H new ATOM 0 HB3 ALA A 70 3.540 -3.713 -2.617 1.00 10.00 H new ATOM 1038 N ILE A 71 4.049 -3.190 0.243 1.00 10.00 N ATOM 1039 CA ILE A 71 3.641 -2.716 1.569 1.00 10.00 C ATOM 1040 C ILE A 71 4.838 -2.701 2.548 1.00 10.00 C ATOM 1041 O ILE A 71 5.098 -1.708 3.232 1.00 10.00 O ATOM 1042 CB ILE A 71 2.438 -3.569 2.050 1.00 10.00 C ATOM 1043 CG1 ILE A 71 1.077 -2.988 1.617 1.00 10.00 C ATOM 1044 CG2 ILE A 71 2.445 -3.831 3.560 1.00 10.00 C ATOM 1045 CD1 ILE A 71 0.374 -3.841 0.565 1.00 10.00 C ATOM 0 H ILE A 71 3.519 -4.000 -0.079 1.00 10.00 H new ATOM 0 HA ILE A 71 3.309 -1.679 1.523 1.00 10.00 H new ATOM 0 HB ILE A 71 2.568 -4.528 1.549 1.00 10.00 H new ATOM 0 HG12 ILE A 71 0.433 -2.895 2.491 1.00 10.00 H new ATOM 0 HG13 ILE A 71 1.226 -1.983 1.222 1.00 10.00 H new ATOM 0 HG21 ILE A 71 1.577 -4.433 3.829 1.00 10.00 H new ATOM 0 HG22 ILE A 71 3.355 -4.365 3.832 1.00 10.00 H new ATOM 0 HG23 ILE A 71 2.408 -2.882 4.094 1.00 10.00 H new ATOM 0 HD11 ILE A 71 -0.578 -3.381 0.301 1.00 10.00 H new ATOM 0 HD12 ILE A 71 1.001 -3.913 -0.323 1.00 10.00 H new ATOM 0 HD13 ILE A 71 0.196 -4.839 0.965 1.00 10.00 H new ATOM 1057 N GLU A 72 5.603 -3.795 2.596 1.00 10.00 N ATOM 1058 CA GLU A 72 6.775 -3.922 3.458 1.00 10.00 C ATOM 1059 C GLU A 72 7.892 -2.944 3.102 1.00 10.00 C ATOM 1060 O GLU A 72 8.551 -2.435 4.004 1.00 10.00 O ATOM 1061 CB GLU A 72 7.294 -5.362 3.508 1.00 10.00 C ATOM 1062 CG GLU A 72 6.279 -6.338 4.128 1.00 10.00 C ATOM 1063 CD GLU A 72 6.969 -7.464 4.886 1.00 10.00 C ATOM 1064 OE1 GLU A 72 7.446 -8.395 4.204 1.00 10.00 O ATOM 1065 OE2 GLU A 72 7.022 -7.354 6.130 1.00 10.00 O ATOM 0 H GLU A 72 5.422 -4.624 2.031 1.00 10.00 H new ATOM 0 HA GLU A 72 6.436 -3.653 4.458 1.00 10.00 H new ATOM 0 HB2 GLU A 72 7.538 -5.691 2.498 1.00 10.00 H new ATOM 0 HB3 GLU A 72 8.218 -5.391 4.085 1.00 10.00 H new ATOM 0 HG2 GLU A 72 5.619 -5.795 4.805 1.00 10.00 H new ATOM 0 HG3 GLU A 72 5.653 -6.759 3.342 1.00 10.00 H new ATOM 1072 N PHE A 73 8.105 -2.652 1.813 1.00 10.00 N ATOM 1073 CA PHE A 73 9.108 -1.671 1.404 1.00 10.00 C ATOM 1074 C PHE A 73 8.957 -0.364 2.195 1.00 10.00 C ATOM 1075 O PHE A 73 9.923 0.169 2.738 1.00 10.00 O ATOM 1076 CB PHE A 73 8.997 -1.417 -0.104 1.00 10.00 C ATOM 1077 CG PHE A 73 10.022 -0.421 -0.611 1.00 10.00 C ATOM 1078 CD1 PHE A 73 9.861 0.953 -0.348 1.00 10.00 C ATOM 1079 CD2 PHE A 73 11.195 -0.875 -1.241 1.00 10.00 C ATOM 1080 CE1 PHE A 73 10.895 1.858 -0.642 1.00 10.00 C ATOM 1081 CE2 PHE A 73 12.210 0.037 -1.578 1.00 10.00 C ATOM 1082 CZ PHE A 73 12.072 1.397 -1.253 1.00 10.00 C ATOM 0 H PHE A 73 7.596 -3.081 1.040 1.00 10.00 H new ATOM 0 HA PHE A 73 10.098 -2.071 1.622 1.00 10.00 H new ATOM 0 HB2 PHE A 73 9.120 -2.360 -0.636 1.00 10.00 H new ATOM 0 HB3 PHE A 73 7.997 -1.050 -0.333 1.00 10.00 H new ATOM 0 HD1 PHE A 73 8.938 1.313 0.082 1.00 10.00 H new ATOM 0 HD2 PHE A 73 11.316 -1.924 -1.466 1.00 10.00 H new ATOM 0 HE1 PHE A 73 10.785 2.904 -0.399 1.00 10.00 H new ATOM 0 HE2 PHE A 73 13.097 -0.308 -2.088 1.00 10.00 H new ATOM 0 HZ PHE A 73 12.872 2.088 -1.473 1.00 10.00 H new ATOM 1092 N MET A 74 7.726 0.154 2.248 1.00 10.00 N ATOM 1093 CA MET A 74 7.416 1.391 2.950 1.00 10.00 C ATOM 1094 C MET A 74 7.598 1.263 4.467 1.00 10.00 C ATOM 1095 O MET A 74 8.165 2.154 5.096 1.00 10.00 O ATOM 1096 CB MET A 74 5.988 1.817 2.609 1.00 10.00 C ATOM 1097 CG MET A 74 5.882 2.332 1.166 1.00 10.00 C ATOM 1098 SD MET A 74 4.242 2.894 0.637 1.00 10.00 S ATOM 1099 CE MET A 74 3.390 1.320 0.386 1.00 10.00 C ATOM 0 H MET A 74 6.917 -0.279 1.802 1.00 10.00 H new ATOM 0 HA MET A 74 8.119 2.155 2.618 1.00 10.00 H new ATOM 0 HB2 MET A 74 5.313 0.972 2.745 1.00 10.00 H new ATOM 0 HB3 MET A 74 5.666 2.597 3.299 1.00 10.00 H new ATOM 0 HG2 MET A 74 6.583 3.158 1.044 1.00 10.00 H new ATOM 0 HG3 MET A 74 6.205 1.537 0.494 1.00 10.00 H new ATOM 0 HE1 MET A 74 2.837 1.351 -0.553 1.00 10.00 H new ATOM 0 HE2 MET A 74 4.121 0.512 0.350 1.00 10.00 H new ATOM 0 HE3 MET A 74 2.697 1.146 1.209 1.00 10.00 H new ATOM 1109 N SER A 75 7.105 0.171 5.065 1.00 10.00 N ATOM 1110 CA SER A 75 7.376 -0.108 6.476 1.00 10.00 C ATOM 1111 C SER A 75 7.218 -1.593 6.823 1.00 10.00 C ATOM 1112 O SER A 75 8.221 -2.247 7.090 1.00 10.00 O ATOM 1113 CB SER A 75 6.551 0.824 7.384 1.00 10.00 C ATOM 1114 OG SER A 75 7.346 1.324 8.442 1.00 10.00 O ATOM 0 H SER A 75 6.523 -0.525 4.598 1.00 10.00 H new ATOM 0 HA SER A 75 8.427 0.113 6.665 1.00 10.00 H new ATOM 0 HB2 SER A 75 6.154 1.653 6.798 1.00 10.00 H new ATOM 0 HB3 SER A 75 5.697 0.282 7.789 1.00 10.00 H new ATOM 0 HG SER A 75 6.805 1.915 9.007 1.00 10.00 H new ATOM 1120 N LYS A 76 5.967 -2.089 6.852 1.00 10.00 N ATOM 1121 CA LYS A 76 5.495 -3.435 7.176 1.00 10.00 C ATOM 1122 C LYS A 76 4.061 -3.426 7.746 1.00 10.00 C ATOM 1123 O LYS A 76 3.830 -3.922 8.844 1.00 10.00 O ATOM 1124 CB LYS A 76 6.480 -4.210 8.061 1.00 10.00 C ATOM 1125 CG LYS A 76 6.766 -3.568 9.430 1.00 10.00 C ATOM 1126 CD LYS A 76 8.021 -4.127 10.115 1.00 10.00 C ATOM 1127 CE LYS A 76 9.297 -3.555 9.479 1.00 10.00 C ATOM 1128 NZ LYS A 76 10.501 -3.882 10.267 1.00 10.00 N ATOM 0 H LYS A 76 5.180 -1.483 6.622 1.00 10.00 H new ATOM 0 HA LYS A 76 5.449 -3.982 6.234 1.00 10.00 H new ATOM 0 HB2 LYS A 76 6.088 -5.214 8.222 1.00 10.00 H new ATOM 0 HB3 LYS A 76 7.422 -4.318 7.523 1.00 10.00 H new ATOM 0 HG2 LYS A 76 6.880 -2.492 9.302 1.00 10.00 H new ATOM 0 HG3 LYS A 76 5.906 -3.722 10.082 1.00 10.00 H new ATOM 0 HD2 LYS A 76 7.999 -3.883 11.177 1.00 10.00 H new ATOM 0 HD3 LYS A 76 8.028 -5.214 10.038 1.00 10.00 H new ATOM 0 HE2 LYS A 76 9.407 -3.949 8.469 1.00 10.00 H new ATOM 0 HE3 LYS A 76 9.204 -2.473 9.391 1.00 10.00 H new ATOM 0 HZ1 LYS A 76 11.340 -3.478 9.804 1.00 10.00 H new ATOM 0 HZ2 LYS A 76 10.408 -3.484 11.223 1.00 10.00 H new ATOM 0 HZ3 LYS A 76 10.605 -4.915 10.330 1.00 10.00 H new ATOM 1142 N ALA A 77 3.085 -2.888 6.994 1.00 10.00 N ATOM 1143 CA ALA A 77 1.654 -2.989 7.308 1.00 10.00 C ATOM 1144 C ALA A 77 0.718 -2.495 6.189 1.00 10.00 C ATOM 1145 O ALA A 77 0.052 -3.298 5.543 1.00 10.00 O ATOM 1146 CB ALA A 77 1.328 -2.270 8.616 1.00 10.00 C ATOM 0 H ALA A 77 3.274 -2.364 6.139 1.00 10.00 H new ATOM 0 HA ALA A 77 1.464 -4.057 7.413 1.00 10.00 H new ATOM 0 HB1 ALA A 77 0.262 -2.360 8.825 1.00 10.00 H new ATOM 0 HB2 ALA A 77 1.897 -2.720 9.430 1.00 10.00 H new ATOM 0 HB3 ALA A 77 1.592 -1.216 8.528 1.00 10.00 H new ATOM 1152 N LYS A 78 0.614 -1.170 6.034 1.00 10.00 N ATOM 1153 CA LYS A 78 -0.327 -0.485 5.143 1.00 10.00 C ATOM 1154 C LYS A 78 0.284 -0.004 3.809 1.00 10.00 C ATOM 1155 O LYS A 78 -0.142 1.069 3.320 1.00 10.00 O ATOM 1156 CB LYS A 78 -0.986 0.677 5.901 1.00 10.00 C ATOM 1157 CG LYS A 78 0.009 1.790 6.263 1.00 10.00 C ATOM 1158 CD LYS A 78 -0.659 3.169 6.222 1.00 10.00 C ATOM 1159 CE LYS A 78 0.408 4.235 6.474 1.00 10.00 C ATOM 1160 NZ LYS A 78 0.989 4.751 5.211 1.00 10.00 N ATOM 1161 OXT LYS A 78 1.173 -0.705 3.289 1.00 10.00 O ATOM 0 H LYS A 78 1.208 -0.520 6.548 1.00 10.00 H new ATOM 0 HA LYS A 78 -1.074 -1.223 4.851 1.00 10.00 H new ATOM 0 HB2 LYS A 78 -1.787 1.095 5.291 1.00 10.00 H new ATOM 0 HB3 LYS A 78 -1.446 0.296 6.813 1.00 10.00 H new ATOM 0 HG2 LYS A 78 0.414 1.609 7.259 1.00 10.00 H new ATOM 0 HG3 LYS A 78 0.849 1.770 5.569 1.00 10.00 H new ATOM 0 HD2 LYS A 78 -1.134 3.331 5.254 1.00 10.00 H new ATOM 0 HD3 LYS A 78 -1.443 3.232 6.977 1.00 10.00 H new ATOM 0 HE2 LYS A 78 -0.030 5.060 7.035 1.00 10.00 H new ATOM 0 HE3 LYS A 78 1.201 3.815 7.092 1.00 10.00 H new ATOM 0 HZ1 LYS A 78 1.707 5.471 5.428 1.00 10.00 H new ATOM 0 HZ2 LYS A 78 1.430 3.969 4.687 1.00 10.00 H new ATOM 0 HZ3 LYS A 78 0.237 5.176 4.631 1.00 10.00 H new