USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 503 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.122 (180deg=0) USER MOD Single : A 2 SER OG : rot -64:sc= 0.438 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 41:sc= 1.03 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -160:sc= -0.537 (180deg=-1.25) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc=-0.00761 X(o=-0.0076,f=-0.0076) USER MOD Single : A 22 ASN : amide:sc= -2.81 K(o=-2.8,f=-3.9!) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0209 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0616 X(o=-0.062,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.87) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 130:sc= -0.129 USER MOD Single : A 57 ASN : amide:sc= -0.152 K(o=-0.15,f=-2!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.153 10.110 -17.498 1.00 0.00 N ATOM 2 CA GLY A 1 -2.236 9.286 -16.988 1.00 0.00 C ATOM 3 C GLY A 1 -3.584 9.990 -17.153 1.00 0.00 C ATOM 4 O GLY A 1 -3.687 10.982 -17.873 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.590 9.561 -18.179 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.547 10.948 -17.971 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.545 10.411 -16.710 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.252 8.333 -17.516 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.064 9.064 -15.935 1.00 0.00 H new ATOM 8 N SER A 2 -4.585 9.448 -16.474 1.00 0.00 N ATOM 9 CA SER A 2 -5.923 10.011 -16.537 1.00 0.00 C ATOM 10 C SER A 2 -6.516 10.109 -15.130 1.00 0.00 C ATOM 11 O SER A 2 -7.309 9.259 -14.727 1.00 0.00 O ATOM 12 CB SER A 2 -6.831 9.174 -17.439 1.00 0.00 C ATOM 13 OG SER A 2 -8.209 9.482 -17.244 1.00 0.00 O ATOM 0 H SER A 2 -4.496 8.625 -15.878 1.00 0.00 H new ATOM 0 HA SER A 2 -5.854 11.011 -16.965 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.565 9.347 -18.482 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.664 8.116 -17.239 1.00 0.00 H new ATOM 0 HG SER A 2 -8.472 9.240 -16.332 1.00 0.00 H new ATOM 19 N SER A 3 -6.110 11.153 -14.422 1.00 0.00 N ATOM 20 CA SER A 3 -6.591 11.372 -13.069 1.00 0.00 C ATOM 21 C SER A 3 -6.679 10.040 -12.322 1.00 0.00 C ATOM 22 O SER A 3 -7.720 9.386 -12.332 1.00 0.00 O ATOM 23 CB SER A 3 -7.955 12.067 -13.076 1.00 0.00 C ATOM 24 OG SER A 3 -7.878 13.387 -13.606 1.00 0.00 O ATOM 0 H SER A 3 -5.453 11.856 -14.760 1.00 0.00 H new ATOM 0 HA SER A 3 -5.883 12.023 -12.556 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.658 11.480 -13.666 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.347 12.107 -12.060 1.00 0.00 H new ATOM 0 HG SER A 3 -8.768 13.796 -13.595 1.00 0.00 H new ATOM 30 N GLY A 4 -5.571 9.678 -11.692 1.00 0.00 N ATOM 31 CA GLY A 4 -5.509 8.435 -10.942 1.00 0.00 C ATOM 32 C GLY A 4 -4.076 8.135 -10.495 1.00 0.00 C ATOM 33 O GLY A 4 -3.477 7.155 -10.935 1.00 0.00 O ATOM 0 H GLY A 4 -4.709 10.224 -11.686 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.160 8.499 -10.070 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.881 7.616 -11.557 1.00 0.00 H new ATOM 37 N SER A 5 -3.569 8.998 -9.626 1.00 0.00 N ATOM 38 CA SER A 5 -2.218 8.837 -9.115 1.00 0.00 C ATOM 39 C SER A 5 -2.203 9.052 -7.600 1.00 0.00 C ATOM 40 O SER A 5 -2.584 10.117 -7.117 1.00 0.00 O ATOM 41 CB SER A 5 -1.252 9.807 -9.798 1.00 0.00 C ATOM 42 OG SER A 5 -0.176 9.127 -10.439 1.00 0.00 O ATOM 0 H SER A 5 -4.069 9.810 -9.263 1.00 0.00 H new ATOM 0 HA SER A 5 -1.887 7.822 -9.335 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.795 10.401 -10.533 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.853 10.502 -9.059 1.00 0.00 H new ATOM 0 HG SER A 5 0.417 9.781 -10.864 1.00 0.00 H new ATOM 48 N SER A 6 -1.759 8.022 -6.894 1.00 0.00 N ATOM 49 CA SER A 6 -1.690 8.085 -5.444 1.00 0.00 C ATOM 50 C SER A 6 -0.905 6.887 -4.905 1.00 0.00 C ATOM 51 O SER A 6 -1.484 5.841 -4.614 1.00 0.00 O ATOM 52 CB SER A 6 -3.089 8.123 -4.826 1.00 0.00 C ATOM 53 OG SER A 6 -3.826 6.934 -5.098 1.00 0.00 O ATOM 0 H SER A 6 -1.444 7.140 -7.299 1.00 0.00 H new ATOM 0 HA SER A 6 -1.175 9.005 -5.167 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.005 8.259 -3.748 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.633 8.984 -5.214 1.00 0.00 H new ATOM 0 HG SER A 6 -3.235 6.157 -5.017 1.00 0.00 H new ATOM 59 N GLY A 7 0.401 7.079 -4.790 1.00 0.00 N ATOM 60 CA GLY A 7 1.271 6.027 -4.292 1.00 0.00 C ATOM 61 C GLY A 7 1.370 6.074 -2.766 1.00 0.00 C ATOM 62 O GLY A 7 2.161 6.839 -2.215 1.00 0.00 O ATOM 0 H GLY A 7 0.878 7.947 -5.033 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.889 5.055 -4.605 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.264 6.135 -4.728 1.00 0.00 H new ATOM 66 N LYS A 8 0.557 5.247 -2.126 1.00 0.00 N ATOM 67 CA LYS A 8 0.543 5.184 -0.675 1.00 0.00 C ATOM 68 C LYS A 8 1.277 3.923 -0.216 1.00 0.00 C ATOM 69 O LYS A 8 1.503 3.009 -1.007 1.00 0.00 O ATOM 70 CB LYS A 8 -0.889 5.288 -0.147 1.00 0.00 C ATOM 71 CG LYS A 8 -0.901 5.608 1.349 1.00 0.00 C ATOM 72 CD LYS A 8 -2.053 6.553 1.698 1.00 0.00 C ATOM 73 CE LYS A 8 -3.134 5.827 2.500 1.00 0.00 C ATOM 74 NZ LYS A 8 -3.736 6.736 3.501 1.00 0.00 N ATOM 0 H LYS A 8 -0.097 4.614 -2.586 1.00 0.00 H new ATOM 0 HA LYS A 8 1.076 6.036 -0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.426 6.064 -0.693 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.415 4.350 -0.326 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.997 4.685 1.921 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.047 6.063 1.635 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.674 7.397 2.274 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.485 6.959 0.783 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.906 5.455 1.827 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.703 4.960 3.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.468 6.227 4.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.999 7.070 4.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.165 7.550 3.017 1.00 0.00 H new ATOM 88 N TYR A 9 1.629 3.913 1.062 1.00 0.00 N ATOM 89 CA TYR A 9 2.333 2.779 1.635 1.00 0.00 C ATOM 90 C TYR A 9 1.920 2.557 3.092 1.00 0.00 C ATOM 91 O TYR A 9 1.264 3.408 3.691 1.00 0.00 O ATOM 92 CB TYR A 9 3.820 3.138 1.589 1.00 0.00 C ATOM 93 CG TYR A 9 4.364 3.353 0.175 1.00 0.00 C ATOM 94 CD1 TYR A 9 4.657 2.266 -0.624 1.00 0.00 C ATOM 95 CD2 TYR A 9 4.562 4.633 -0.301 1.00 0.00 C ATOM 96 CE1 TYR A 9 5.169 2.468 -1.955 1.00 0.00 C ATOM 97 CE2 TYR A 9 5.074 4.835 -1.632 1.00 0.00 C ATOM 98 CZ TYR A 9 5.352 3.742 -2.393 1.00 0.00 C ATOM 99 OH TYR A 9 5.836 3.933 -3.650 1.00 0.00 O ATOM 0 H TYR A 9 1.440 4.672 1.716 1.00 0.00 H new ATOM 0 HA TYR A 9 2.106 1.867 1.083 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.983 4.045 2.172 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.390 2.343 2.070 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.502 1.264 -0.251 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.333 5.483 0.324 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.402 1.627 -2.591 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.234 5.831 -2.017 1.00 0.00 H new ATOM 0 HH TYR A 9 5.914 4.894 -3.828 1.00 0.00 H new ATOM 109 N VAL A 10 2.321 1.410 3.619 1.00 0.00 N ATOM 110 CA VAL A 10 2.001 1.065 4.993 1.00 0.00 C ATOM 111 C VAL A 10 3.230 0.444 5.659 1.00 0.00 C ATOM 112 O VAL A 10 3.955 -0.329 5.034 1.00 0.00 O ATOM 113 CB VAL A 10 0.774 0.151 5.032 1.00 0.00 C ATOM 114 CG1 VAL A 10 1.135 -1.269 4.589 1.00 0.00 C ATOM 115 CG2 VAL A 10 0.137 0.147 6.422 1.00 0.00 C ATOM 0 H VAL A 10 2.865 0.707 3.119 1.00 0.00 H new ATOM 0 HA VAL A 10 1.742 1.959 5.560 1.00 0.00 H new ATOM 0 HB VAL A 10 0.040 0.545 4.329 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.246 -1.899 4.626 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.521 -1.245 3.570 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.895 -1.676 5.256 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.733 -0.510 6.422 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.862 -0.210 7.153 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.173 1.159 6.683 1.00 0.00 H new ATOM 125 N LYS A 11 3.428 0.805 6.918 1.00 0.00 N ATOM 126 CA LYS A 11 4.558 0.292 7.675 1.00 0.00 C ATOM 127 C LYS A 11 4.088 -0.859 8.567 1.00 0.00 C ATOM 128 O LYS A 11 3.174 -0.692 9.372 1.00 0.00 O ATOM 129 CB LYS A 11 5.246 1.423 8.442 1.00 0.00 C ATOM 130 CG LYS A 11 6.192 0.866 9.508 1.00 0.00 C ATOM 131 CD LYS A 11 7.601 1.440 9.344 1.00 0.00 C ATOM 132 CE LYS A 11 7.717 2.809 10.019 1.00 0.00 C ATOM 133 NZ LYS A 11 6.927 3.819 9.281 1.00 0.00 N ATOM 0 H LYS A 11 2.825 1.447 7.433 1.00 0.00 H new ATOM 0 HA LYS A 11 5.315 -0.113 7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.804 2.051 7.748 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.495 2.057 8.913 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.810 1.107 10.500 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.227 -0.221 9.436 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.330 0.754 9.776 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.839 1.532 8.284 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.365 2.744 11.049 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.763 3.114 10.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.268 4.771 9.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.033 3.663 8.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.924 3.733 9.542 1.00 0.00 H new ATOM 147 N ILE A 12 4.736 -2.002 8.392 1.00 0.00 N ATOM 148 CA ILE A 12 4.397 -3.181 9.171 1.00 0.00 C ATOM 149 C ILE A 12 4.829 -2.969 10.624 1.00 0.00 C ATOM 150 O ILE A 12 6.022 -2.964 10.925 1.00 0.00 O ATOM 151 CB ILE A 12 4.990 -4.436 8.529 1.00 0.00 C ATOM 152 CG1 ILE A 12 4.543 -4.571 7.072 1.00 0.00 C ATOM 153 CG2 ILE A 12 4.654 -5.683 9.350 1.00 0.00 C ATOM 154 CD1 ILE A 12 3.020 -4.685 6.974 1.00 0.00 C ATOM 0 H ILE A 12 5.494 -2.136 7.722 1.00 0.00 H new ATOM 0 HA ILE A 12 3.318 -3.335 9.179 1.00 0.00 H new ATOM 0 HB ILE A 12 6.075 -4.336 8.524 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.884 -3.707 6.502 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.007 -5.451 6.626 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.087 -6.561 8.872 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.063 -5.578 10.355 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.572 -5.799 9.409 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.729 -4.780 5.928 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.685 -5.564 7.525 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.560 -3.793 7.399 1.00 0.00 H new ATOM 166 N LEU A 13 3.837 -2.800 11.485 1.00 0.00 N ATOM 167 CA LEU A 13 4.100 -2.588 12.898 1.00 0.00 C ATOM 168 C LEU A 13 4.503 -3.917 13.541 1.00 0.00 C ATOM 169 O LEU A 13 5.182 -3.933 14.567 1.00 0.00 O ATOM 170 CB LEU A 13 2.901 -1.918 13.572 1.00 0.00 C ATOM 171 CG LEU A 13 2.453 -0.584 12.970 1.00 0.00 C ATOM 172 CD1 LEU A 13 1.305 0.024 13.778 1.00 0.00 C ATOM 173 CD2 LEU A 13 3.633 0.381 12.837 1.00 0.00 C ATOM 0 H LEU A 13 2.849 -2.806 11.231 1.00 0.00 H new ATOM 0 HA LEU A 13 4.936 -1.901 13.031 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.059 -2.609 13.541 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.143 -1.757 14.623 1.00 0.00 H new ATOM 0 HG LEU A 13 2.075 -0.772 11.965 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.006 0.971 13.329 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.457 -0.661 13.778 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.633 0.196 14.803 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.288 1.321 12.407 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.062 0.568 13.821 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.391 -0.058 12.188 1.00 0.00 H new ATOM 185 N TYR A 14 4.068 -4.998 12.912 1.00 0.00 N ATOM 186 CA TYR A 14 4.375 -6.328 13.411 1.00 0.00 C ATOM 187 C TYR A 14 4.615 -7.304 12.257 1.00 0.00 C ATOM 188 O TYR A 14 3.900 -7.276 11.257 1.00 0.00 O ATOM 189 CB TYR A 14 3.143 -6.779 14.197 1.00 0.00 C ATOM 190 CG TYR A 14 2.779 -5.861 15.365 1.00 0.00 C ATOM 191 CD1 TYR A 14 3.501 -5.919 16.540 1.00 0.00 C ATOM 192 CD2 TYR A 14 1.729 -4.973 15.244 1.00 0.00 C ATOM 193 CE1 TYR A 14 3.159 -5.054 17.639 1.00 0.00 C ATOM 194 CE2 TYR A 14 1.387 -4.108 16.343 1.00 0.00 C ATOM 195 CZ TYR A 14 2.118 -4.192 17.486 1.00 0.00 C ATOM 196 OH TYR A 14 1.795 -3.375 18.525 1.00 0.00 O ATOM 0 H TYR A 14 3.505 -4.981 12.061 1.00 0.00 H new ATOM 0 HA TYR A 14 5.277 -6.310 14.023 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.293 -6.839 13.517 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.317 -7.785 14.579 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.323 -6.613 16.635 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.164 -4.927 14.325 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.716 -5.089 18.564 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.568 -3.408 16.261 1.00 0.00 H new ATOM 0 HH TYR A 14 1.033 -2.812 18.274 1.00 0.00 H new ATOM 206 N ASP A 15 5.624 -8.145 12.435 1.00 0.00 N ATOM 207 CA ASP A 15 5.967 -9.127 11.421 1.00 0.00 C ATOM 208 C ASP A 15 4.826 -10.138 11.291 1.00 0.00 C ATOM 209 O ASP A 15 4.259 -10.572 12.292 1.00 0.00 O ATOM 210 CB ASP A 15 7.235 -9.893 11.803 1.00 0.00 C ATOM 211 CG ASP A 15 7.297 -10.356 13.260 1.00 0.00 C ATOM 212 OD1 ASP A 15 6.212 -10.439 13.876 1.00 0.00 O ATOM 213 OD2 ASP A 15 8.428 -10.617 13.725 1.00 0.00 O ATOM 0 H ASP A 15 6.215 -8.166 13.266 1.00 0.00 H new ATOM 0 HA ASP A 15 6.134 -8.599 10.482 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.323 -10.766 11.156 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.099 -9.259 11.602 1.00 0.00 H new ATOM 218 N PHE A 16 4.523 -10.484 10.048 1.00 0.00 N ATOM 219 CA PHE A 16 3.460 -11.436 9.773 1.00 0.00 C ATOM 220 C PHE A 16 3.926 -12.508 8.786 1.00 0.00 C ATOM 221 O PHE A 16 4.477 -12.190 7.733 1.00 0.00 O ATOM 222 CB PHE A 16 2.307 -10.649 9.148 1.00 0.00 C ATOM 223 CG PHE A 16 1.066 -11.494 8.853 1.00 0.00 C ATOM 224 CD1 PHE A 16 0.143 -11.710 9.828 1.00 0.00 C ATOM 225 CD2 PHE A 16 0.885 -12.029 7.616 1.00 0.00 C ATOM 226 CE1 PHE A 16 -1.009 -12.494 9.554 1.00 0.00 C ATOM 227 CE2 PHE A 16 -0.266 -12.813 7.342 1.00 0.00 C ATOM 228 CZ PHE A 16 -1.189 -13.029 8.317 1.00 0.00 C ATOM 0 H PHE A 16 4.995 -10.122 9.220 1.00 0.00 H new ATOM 0 HA PHE A 16 3.159 -11.936 10.694 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.030 -9.836 9.819 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.653 -10.193 8.220 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.286 -11.285 10.811 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.618 -11.857 6.841 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.742 -12.665 10.328 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.409 -13.238 6.359 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.065 -13.625 8.109 1.00 0.00 H new ATOM 238 N THR A 17 3.687 -13.756 9.161 1.00 0.00 N ATOM 239 CA THR A 17 4.075 -14.877 8.321 1.00 0.00 C ATOM 240 C THR A 17 2.865 -15.409 7.550 1.00 0.00 C ATOM 241 O THR A 17 2.017 -16.096 8.117 1.00 0.00 O ATOM 242 CB THR A 17 4.738 -15.928 9.213 1.00 0.00 C ATOM 243 OG1 THR A 17 5.925 -15.292 9.677 1.00 0.00 O ATOM 244 CG2 THR A 17 5.247 -17.133 8.419 1.00 0.00 C ATOM 0 H THR A 17 3.230 -14.016 10.035 1.00 0.00 H new ATOM 0 HA THR A 17 4.796 -14.573 7.562 1.00 0.00 H new ATOM 0 HB THR A 17 4.026 -16.264 9.967 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.416 -15.904 10.265 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.709 -17.849 9.100 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.412 -17.608 7.904 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.983 -16.802 7.687 1.00 0.00 H new ATOM 252 N ALA A 18 2.825 -15.072 6.270 1.00 0.00 N ATOM 253 CA ALA A 18 1.733 -15.507 5.415 1.00 0.00 C ATOM 254 C ALA A 18 1.535 -17.015 5.578 1.00 0.00 C ATOM 255 O ALA A 18 2.404 -17.803 5.206 1.00 0.00 O ATOM 256 CB ALA A 18 2.029 -15.110 3.967 1.00 0.00 C ATOM 0 H ALA A 18 3.531 -14.503 5.804 1.00 0.00 H new ATOM 0 HA ALA A 18 0.802 -15.019 5.702 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.210 -15.436 3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.133 -14.027 3.901 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.955 -15.584 3.642 1.00 0.00 H new ATOM 262 N ARG A 19 0.386 -17.373 6.133 1.00 0.00 N ATOM 263 CA ARG A 19 0.063 -18.772 6.349 1.00 0.00 C ATOM 264 C ARG A 19 -0.249 -19.457 5.016 1.00 0.00 C ATOM 265 O ARG A 19 -0.026 -20.657 4.864 1.00 0.00 O ATOM 266 CB ARG A 19 -1.139 -18.922 7.285 1.00 0.00 C ATOM 267 CG ARG A 19 -0.779 -18.499 8.710 1.00 0.00 C ATOM 268 CD ARG A 19 -1.958 -17.796 9.387 1.00 0.00 C ATOM 269 NE ARG A 19 -1.753 -17.762 10.852 1.00 0.00 N ATOM 270 CZ ARG A 19 -1.939 -18.814 11.661 1.00 0.00 C ATOM 271 NH1 ARG A 19 -2.335 -19.989 11.153 1.00 0.00 N ATOM 272 NH2 ARG A 19 -1.729 -18.691 12.979 1.00 0.00 N ATOM 0 H ARG A 19 -0.333 -16.717 6.440 1.00 0.00 H new ATOM 0 HA ARG A 19 0.930 -19.245 6.811 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.967 -18.315 6.920 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.478 -19.958 7.284 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.490 -19.375 9.291 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.083 -17.832 8.689 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.057 -16.781 9.002 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.886 -18.318 9.153 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.451 -16.883 11.272 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.495 -20.083 10.150 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.476 -20.789 11.769 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.428 -17.797 13.366 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.871 -19.492 13.595 1.00 0.00 H new ATOM 286 N ASN A 20 -0.760 -18.664 4.086 1.00 0.00 N ATOM 287 CA ASN A 20 -1.105 -19.179 2.771 1.00 0.00 C ATOM 288 C ASN A 20 -0.630 -18.193 1.702 1.00 0.00 C ATOM 289 O ASN A 20 -0.033 -17.166 2.021 1.00 0.00 O ATOM 290 CB ASN A 20 -2.619 -19.344 2.624 1.00 0.00 C ATOM 291 CG ASN A 20 -3.148 -20.419 3.575 1.00 0.00 C ATOM 292 OD1 ASN A 20 -3.160 -21.601 3.272 1.00 0.00 O ATOM 293 ND2 ASN A 20 -3.584 -19.946 4.738 1.00 0.00 N ATOM 0 H ASN A 20 -0.944 -17.669 4.216 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.624 -20.150 2.651 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.114 -18.395 2.831 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.861 -19.612 1.596 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -3.957 -20.584 5.441 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.546 -18.945 4.928 1.00 0.00 H new ATOM 300 N ALA A 21 -0.914 -18.539 0.455 1.00 0.00 N ATOM 301 CA ALA A 21 -0.524 -17.698 -0.663 1.00 0.00 C ATOM 302 C ALA A 21 -1.336 -16.402 -0.628 1.00 0.00 C ATOM 303 O ALA A 21 -0.784 -15.314 -0.783 1.00 0.00 O ATOM 304 CB ALA A 21 -0.711 -18.468 -1.972 1.00 0.00 C ATOM 0 H ALA A 21 -1.410 -19.391 0.194 1.00 0.00 H new ATOM 0 HA ALA A 21 0.530 -17.429 -0.591 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.418 -17.836 -2.811 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.091 -19.364 -1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.758 -18.753 -2.080 1.00 0.00 H new ATOM 310 N ASN A 22 -2.636 -16.561 -0.423 1.00 0.00 N ATOM 311 CA ASN A 22 -3.530 -15.417 -0.365 1.00 0.00 C ATOM 312 C ASN A 22 -2.952 -14.371 0.590 1.00 0.00 C ATOM 313 O ASN A 22 -3.161 -13.173 0.405 1.00 0.00 O ATOM 314 CB ASN A 22 -4.910 -15.822 0.156 1.00 0.00 C ATOM 315 CG ASN A 22 -4.788 -16.767 1.353 1.00 0.00 C ATOM 316 OD1 ASN A 22 -4.599 -16.356 2.485 1.00 0.00 O ATOM 317 ND2 ASN A 22 -4.906 -18.054 1.039 1.00 0.00 N ATOM 0 H ASN A 22 -3.091 -17.465 -0.295 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.629 -15.015 -1.373 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.469 -14.932 0.446 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.475 -16.308 -0.640 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.839 -18.765 1.767 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.064 -18.330 0.070 1.00 0.00 H new ATOM 324 N GLU A 23 -2.236 -14.862 1.591 1.00 0.00 N ATOM 325 CA GLU A 23 -1.626 -13.984 2.576 1.00 0.00 C ATOM 326 C GLU A 23 -0.203 -13.616 2.150 1.00 0.00 C ATOM 327 O GLU A 23 0.491 -14.421 1.530 1.00 0.00 O ATOM 328 CB GLU A 23 -1.634 -14.628 3.964 1.00 0.00 C ATOM 329 CG GLU A 23 -3.018 -14.527 4.607 1.00 0.00 C ATOM 330 CD GLU A 23 -3.066 -15.293 5.931 1.00 0.00 C ATOM 331 OE1 GLU A 23 -2.556 -16.434 5.944 1.00 0.00 O ATOM 332 OE2 GLU A 23 -3.610 -14.720 6.899 1.00 0.00 O ATOM 0 H GLU A 23 -2.065 -15.856 1.741 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.215 -13.069 2.633 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.341 -15.675 3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.897 -14.138 4.600 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.267 -13.480 4.780 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.769 -14.925 3.925 1.00 0.00 H new ATOM 339 N LEU A 24 0.190 -12.400 2.501 1.00 0.00 N ATOM 340 CA LEU A 24 1.517 -11.916 2.163 1.00 0.00 C ATOM 341 C LEU A 24 2.414 -11.995 3.400 1.00 0.00 C ATOM 342 O LEU A 24 1.963 -11.738 4.515 1.00 0.00 O ATOM 343 CB LEU A 24 1.437 -10.517 1.549 1.00 0.00 C ATOM 344 CG LEU A 24 2.617 -10.103 0.667 1.00 0.00 C ATOM 345 CD1 LEU A 24 2.417 -10.578 -0.774 1.00 0.00 C ATOM 346 CD2 LEU A 24 2.857 -8.594 0.745 1.00 0.00 C ATOM 0 H LEU A 24 -0.388 -11.736 3.016 1.00 0.00 H new ATOM 0 HA LEU A 24 1.970 -12.548 1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.525 -10.454 0.955 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.341 -9.792 2.357 1.00 0.00 H new ATOM 0 HG LEU A 24 3.515 -10.592 1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.269 -10.271 -1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.333 -11.665 -0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.506 -10.137 -1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.701 -8.326 0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.966 -8.066 0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.076 -8.313 1.775 1.00 0.00 H new ATOM 358 N SER A 25 3.668 -12.351 3.161 1.00 0.00 N ATOM 359 CA SER A 25 4.632 -12.467 4.242 1.00 0.00 C ATOM 360 C SER A 25 5.472 -11.191 4.333 1.00 0.00 C ATOM 361 O SER A 25 6.232 -10.878 3.418 1.00 0.00 O ATOM 362 CB SER A 25 5.536 -13.685 4.045 1.00 0.00 C ATOM 363 OG SER A 25 5.857 -13.896 2.673 1.00 0.00 O ATOM 0 H SER A 25 4.038 -12.563 2.235 1.00 0.00 H new ATOM 0 HA SER A 25 4.085 -12.602 5.175 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.455 -13.550 4.616 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.041 -14.571 4.442 1.00 0.00 H new ATOM 0 HG SER A 25 6.437 -14.682 2.590 1.00 0.00 H new ATOM 369 N VAL A 26 5.306 -10.490 5.445 1.00 0.00 N ATOM 370 CA VAL A 26 6.039 -9.255 5.667 1.00 0.00 C ATOM 371 C VAL A 26 6.664 -9.283 7.063 1.00 0.00 C ATOM 372 O VAL A 26 6.254 -10.069 7.916 1.00 0.00 O ATOM 373 CB VAL A 26 5.118 -8.053 5.448 1.00 0.00 C ATOM 374 CG1 VAL A 26 4.676 -7.961 3.986 1.00 0.00 C ATOM 375 CG2 VAL A 26 3.910 -8.110 6.384 1.00 0.00 C ATOM 0 H VAL A 26 4.675 -10.754 6.202 1.00 0.00 H new ATOM 0 HA VAL A 26 6.853 -9.159 4.948 1.00 0.00 H new ATOM 0 HB VAL A 26 5.682 -7.151 5.685 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.022 -7.098 3.857 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.552 -7.851 3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.138 -8.868 3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.272 -7.244 6.208 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.345 -9.022 6.193 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.251 -8.104 7.419 1.00 0.00 H new ATOM 385 N LEU A 27 7.647 -8.415 7.254 1.00 0.00 N ATOM 386 CA LEU A 27 8.333 -8.330 8.532 1.00 0.00 C ATOM 387 C LEU A 27 7.925 -7.036 9.240 1.00 0.00 C ATOM 388 O LEU A 27 7.142 -6.252 8.705 1.00 0.00 O ATOM 389 CB LEU A 27 9.844 -8.475 8.340 1.00 0.00 C ATOM 390 CG LEU A 27 10.372 -9.908 8.241 1.00 0.00 C ATOM 391 CD1 LEU A 27 11.682 -9.956 7.453 1.00 0.00 C ATOM 392 CD2 LEU A 27 10.515 -10.537 9.629 1.00 0.00 C ATOM 0 H LEU A 27 7.985 -7.764 6.545 1.00 0.00 H new ATOM 0 HA LEU A 27 8.036 -9.156 9.179 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.128 -7.940 7.434 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.345 -7.981 9.172 1.00 0.00 H new ATOM 0 HG LEU A 27 9.643 -10.503 7.691 1.00 0.00 H new ATOM 0 HD11 LEU A 27 12.036 -10.986 7.397 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.515 -9.575 6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.430 -9.342 7.954 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.892 -11.555 9.530 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.212 -9.948 10.225 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.543 -10.556 10.122 1.00 0.00 H new ATOM 404 N LYS A 28 8.473 -6.853 10.432 1.00 0.00 N ATOM 405 CA LYS A 28 8.176 -5.668 11.218 1.00 0.00 C ATOM 406 C LYS A 28 9.114 -4.534 10.799 1.00 0.00 C ATOM 407 O LYS A 28 10.293 -4.765 10.534 1.00 0.00 O ATOM 408 CB LYS A 28 8.230 -5.989 12.713 1.00 0.00 C ATOM 409 CG LYS A 28 8.132 -4.714 13.552 1.00 0.00 C ATOM 410 CD LYS A 28 8.641 -4.953 14.975 1.00 0.00 C ATOM 411 CE LYS A 28 7.542 -5.546 15.858 1.00 0.00 C ATOM 412 NZ LYS A 28 8.045 -5.771 17.232 1.00 0.00 N ATOM 0 H LYS A 28 9.121 -7.506 10.873 1.00 0.00 H new ATOM 0 HA LYS A 28 7.158 -5.329 11.024 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.414 -6.663 12.973 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.160 -6.509 12.943 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.713 -3.920 13.083 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.097 -4.375 13.585 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.496 -5.628 14.950 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.989 -4.013 15.403 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.685 -4.873 15.884 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.194 -6.488 15.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.286 -6.174 17.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.848 -6.431 17.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.355 -4.866 17.641 1.00 0.00 H new ATOM 426 N ASP A 29 8.555 -3.334 10.751 1.00 0.00 N ATOM 427 CA ASP A 29 9.327 -2.164 10.368 1.00 0.00 C ATOM 428 C ASP A 29 9.378 -2.069 8.842 1.00 0.00 C ATOM 429 O ASP A 29 9.871 -1.084 8.294 1.00 0.00 O ATOM 430 CB ASP A 29 10.764 -2.259 10.884 1.00 0.00 C ATOM 431 CG ASP A 29 10.909 -2.846 12.289 1.00 0.00 C ATOM 432 OD1 ASP A 29 10.378 -2.213 13.227 1.00 0.00 O ATOM 433 OD2 ASP A 29 11.548 -3.916 12.394 1.00 0.00 O ATOM 0 H ASP A 29 7.577 -3.146 10.971 1.00 0.00 H new ATOM 0 HA ASP A 29 8.846 -1.287 10.800 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.344 -2.868 10.190 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.204 -1.262 10.876 1.00 0.00 H new ATOM 438 N GLU A 30 8.861 -3.105 8.199 1.00 0.00 N ATOM 439 CA GLU A 30 8.842 -3.151 6.747 1.00 0.00 C ATOM 440 C GLU A 30 7.866 -2.109 6.196 1.00 0.00 C ATOM 441 O GLU A 30 7.066 -1.547 6.943 1.00 0.00 O ATOM 442 CB GLU A 30 8.487 -4.553 6.247 1.00 0.00 C ATOM 443 CG GLU A 30 9.721 -5.457 6.228 1.00 0.00 C ATOM 444 CD GLU A 30 10.632 -5.166 7.423 1.00 0.00 C ATOM 445 OE1 GLU A 30 11.404 -4.188 7.322 1.00 0.00 O ATOM 446 OE2 GLU A 30 10.536 -5.928 8.409 1.00 0.00 O ATOM 0 H GLU A 30 8.452 -3.919 8.657 1.00 0.00 H new ATOM 0 HA GLU A 30 9.841 -2.913 6.382 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.722 -4.989 6.889 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.063 -4.489 5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.411 -6.502 6.248 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.273 -5.306 5.300 1.00 0.00 H new ATOM 453 N VAL A 31 7.963 -1.884 4.894 1.00 0.00 N ATOM 454 CA VAL A 31 7.098 -0.920 4.234 1.00 0.00 C ATOM 455 C VAL A 31 6.563 -1.527 2.936 1.00 0.00 C ATOM 456 O VAL A 31 7.322 -1.766 1.999 1.00 0.00 O ATOM 457 CB VAL A 31 7.851 0.393 4.015 1.00 0.00 C ATOM 458 CG1 VAL A 31 7.063 1.330 3.097 1.00 0.00 C ATOM 459 CG2 VAL A 31 8.170 1.072 5.349 1.00 0.00 C ATOM 0 H VAL A 31 8.627 -2.353 4.278 1.00 0.00 H new ATOM 0 HA VAL A 31 6.238 -0.685 4.861 1.00 0.00 H new ATOM 0 HB VAL A 31 8.796 0.159 3.524 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.620 2.256 2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.911 0.849 2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.096 1.553 3.548 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.706 2.003 5.164 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.242 1.286 5.879 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.790 0.411 5.955 1.00 0.00 H new ATOM 469 N LEU A 32 5.258 -1.757 2.922 1.00 0.00 N ATOM 470 CA LEU A 32 4.612 -2.331 1.754 1.00 0.00 C ATOM 471 C LEU A 32 3.774 -1.255 1.060 1.00 0.00 C ATOM 472 O LEU A 32 3.598 -0.161 1.593 1.00 0.00 O ATOM 473 CB LEU A 32 3.814 -3.577 2.141 1.00 0.00 C ATOM 474 CG LEU A 32 4.633 -4.774 2.627 1.00 0.00 C ATOM 475 CD1 LEU A 32 5.788 -5.073 1.669 1.00 0.00 C ATOM 476 CD2 LEU A 32 5.119 -4.560 4.062 1.00 0.00 C ATOM 0 H LEU A 32 4.631 -1.556 3.701 1.00 0.00 H new ATOM 0 HA LEU A 32 5.357 -2.669 1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.108 -3.303 2.925 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.226 -3.890 1.278 1.00 0.00 H new ATOM 0 HG LEU A 32 3.985 -5.651 2.634 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.354 -5.928 2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.391 -5.300 0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.443 -4.204 1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.699 -5.426 4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.744 -3.668 4.105 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.261 -4.433 4.722 1.00 0.00 H new ATOM 488 N GLU A 33 3.280 -1.604 -0.119 1.00 0.00 N ATOM 489 CA GLU A 33 2.465 -0.682 -0.891 1.00 0.00 C ATOM 490 C GLU A 33 0.998 -1.117 -0.861 1.00 0.00 C ATOM 491 O GLU A 33 0.690 -2.288 -1.076 1.00 0.00 O ATOM 492 CB GLU A 33 2.975 -0.571 -2.329 1.00 0.00 C ATOM 493 CG GLU A 33 2.035 0.285 -3.180 1.00 0.00 C ATOM 494 CD GLU A 33 2.825 1.177 -4.140 1.00 0.00 C ATOM 495 OE1 GLU A 33 3.492 0.604 -5.029 1.00 0.00 O ATOM 496 OE2 GLU A 33 2.743 2.412 -3.965 1.00 0.00 O ATOM 0 H GLU A 33 3.429 -2.513 -0.558 1.00 0.00 H new ATOM 0 HA GLU A 33 2.540 0.306 -0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.973 -0.134 -2.332 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.062 -1.566 -2.766 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.363 -0.360 -3.747 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.413 0.903 -2.532 1.00 0.00 H new ATOM 503 N VAL A 34 0.132 -0.150 -0.594 1.00 0.00 N ATOM 504 CA VAL A 34 -1.294 -0.418 -0.534 1.00 0.00 C ATOM 505 C VAL A 34 -1.910 -0.192 -1.916 1.00 0.00 C ATOM 506 O VAL A 34 -1.675 0.839 -2.543 1.00 0.00 O ATOM 507 CB VAL A 34 -1.942 0.437 0.557 1.00 0.00 C ATOM 508 CG1 VAL A 34 -1.972 1.912 0.152 1.00 0.00 C ATOM 509 CG2 VAL A 34 -3.347 -0.069 0.888 1.00 0.00 C ATOM 0 H VAL A 34 0.391 0.820 -0.417 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.476 -1.458 -0.264 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.334 0.349 1.457 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.438 2.498 0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.954 2.266 -0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.546 2.025 -0.768 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.785 0.556 1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.969 -0.025 -0.006 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.289 -1.099 1.240 1.00 0.00 H new ATOM 519 N LEU A 35 -2.688 -1.173 -2.349 1.00 0.00 N ATOM 520 CA LEU A 35 -3.340 -1.094 -3.646 1.00 0.00 C ATOM 521 C LEU A 35 -4.857 -1.067 -3.448 1.00 0.00 C ATOM 522 O LEU A 35 -5.553 -0.266 -4.070 1.00 0.00 O ATOM 523 CB LEU A 35 -2.859 -2.225 -4.557 1.00 0.00 C ATOM 524 CG LEU A 35 -1.591 -2.955 -4.109 1.00 0.00 C ATOM 525 CD1 LEU A 35 -1.420 -4.272 -4.867 1.00 0.00 C ATOM 526 CD2 LEU A 35 -0.363 -2.052 -4.241 1.00 0.00 C ATOM 0 H LEU A 35 -2.882 -2.027 -1.825 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.068 -0.169 -4.154 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.662 -2.956 -4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.686 -1.815 -5.552 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.695 -3.204 -3.053 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.511 -4.771 -4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.279 -4.915 -4.677 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.348 -4.070 -5.936 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.525 -2.595 -3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.243 -1.750 -5.282 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.494 -1.166 -3.619 1.00 0.00 H new ATOM 538 N GLU A 36 -5.325 -1.951 -2.579 1.00 0.00 N ATOM 539 CA GLU A 36 -6.746 -2.038 -2.292 1.00 0.00 C ATOM 540 C GLU A 36 -6.999 -1.834 -0.797 1.00 0.00 C ATOM 541 O GLU A 36 -6.443 -2.550 0.034 1.00 0.00 O ATOM 542 CB GLU A 36 -7.321 -3.374 -2.768 1.00 0.00 C ATOM 543 CG GLU A 36 -7.958 -3.235 -4.152 1.00 0.00 C ATOM 544 CD GLU A 36 -8.919 -4.393 -4.432 1.00 0.00 C ATOM 545 OE1 GLU A 36 -8.472 -5.550 -4.281 1.00 0.00 O ATOM 546 OE2 GLU A 36 -10.078 -4.094 -4.790 1.00 0.00 O ATOM 0 H GLU A 36 -4.745 -2.613 -2.064 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.256 -1.245 -2.839 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.530 -4.123 -2.801 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.066 -3.728 -2.055 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.495 -2.289 -4.216 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.179 -3.212 -4.914 1.00 0.00 H new ATOM 553 N ASP A 37 -7.839 -0.853 -0.500 1.00 0.00 N ATOM 554 CA ASP A 37 -8.172 -0.545 0.880 1.00 0.00 C ATOM 555 C ASP A 37 -9.693 -0.481 1.031 1.00 0.00 C ATOM 556 O ASP A 37 -10.425 -0.639 0.055 1.00 0.00 O ATOM 557 CB ASP A 37 -7.598 0.810 1.297 1.00 0.00 C ATOM 558 CG ASP A 37 -8.456 2.019 0.918 1.00 0.00 C ATOM 559 OD1 ASP A 37 -8.656 2.214 -0.300 1.00 0.00 O ATOM 560 OD2 ASP A 37 -8.892 2.721 1.856 1.00 0.00 O ATOM 0 H ASP A 37 -8.299 -0.261 -1.192 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.747 -1.326 1.511 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.454 0.810 2.377 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.613 0.926 0.844 1.00 0.00 H new ATOM 565 N GLY A 38 -10.125 -0.249 2.262 1.00 0.00 N ATOM 566 CA GLY A 38 -11.546 -0.162 2.553 1.00 0.00 C ATOM 567 C GLY A 38 -12.151 -1.553 2.751 1.00 0.00 C ATOM 568 O GLY A 38 -13.370 -1.714 2.720 1.00 0.00 O ATOM 0 H GLY A 38 -9.516 -0.119 3.070 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.701 0.437 3.450 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.057 0.348 1.737 1.00 0.00 H new ATOM 572 N ARG A 39 -11.271 -2.524 2.950 1.00 0.00 N ATOM 573 CA ARG A 39 -11.704 -3.896 3.153 1.00 0.00 C ATOM 574 C ARG A 39 -11.089 -4.462 4.434 1.00 0.00 C ATOM 575 O ARG A 39 -10.083 -3.950 4.923 1.00 0.00 O ATOM 576 CB ARG A 39 -11.305 -4.780 1.970 1.00 0.00 C ATOM 577 CG ARG A 39 -12.535 -5.216 1.172 1.00 0.00 C ATOM 578 CD ARG A 39 -12.209 -5.332 -0.319 1.00 0.00 C ATOM 579 NE ARG A 39 -12.989 -6.434 -0.924 1.00 0.00 N ATOM 580 CZ ARG A 39 -14.314 -6.398 -1.119 1.00 0.00 C ATOM 581 NH1 ARG A 39 -15.015 -5.314 -0.758 1.00 0.00 N ATOM 582 NH2 ARG A 39 -14.939 -7.445 -1.675 1.00 0.00 N ATOM 0 H ARG A 39 -10.260 -2.387 2.975 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.791 -3.892 3.238 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.619 -4.236 1.320 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.772 -5.659 2.332 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -12.894 -6.175 1.545 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -13.341 -4.496 1.317 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.438 -4.394 -0.824 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.143 -5.514 -0.453 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.486 -7.274 -1.211 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.540 -4.517 -0.335 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -16.024 -5.286 -0.906 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.406 -8.270 -1.950 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.948 -7.417 -1.823 1.00 0.00 H new ATOM 596 N GLN A 40 -11.719 -5.512 4.941 1.00 0.00 N ATOM 597 CA GLN A 40 -11.246 -6.153 6.156 1.00 0.00 C ATOM 598 C GLN A 40 -9.719 -6.245 6.148 1.00 0.00 C ATOM 599 O GLN A 40 -9.053 -5.653 6.997 1.00 0.00 O ATOM 600 CB GLN A 40 -11.877 -7.537 6.327 1.00 0.00 C ATOM 601 CG GLN A 40 -13.403 -7.439 6.391 1.00 0.00 C ATOM 602 CD GLN A 40 -14.020 -8.773 6.815 1.00 0.00 C ATOM 603 OE1 GLN A 40 -14.786 -9.389 6.093 1.00 0.00 O ATOM 604 NE2 GLN A 40 -13.645 -9.183 8.024 1.00 0.00 N ATOM 0 H GLN A 40 -12.553 -5.934 4.532 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.550 -5.543 7.007 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.585 -8.179 5.496 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.500 -8.003 7.238 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.692 -6.660 7.097 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.794 -7.147 5.416 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -13.000 -8.618 8.577 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -14.003 -10.062 8.398 1.00 0.00 H new ATOM 613 N TRP A 41 -9.207 -6.991 5.180 1.00 0.00 N ATOM 614 CA TRP A 41 -7.771 -7.168 5.051 1.00 0.00 C ATOM 615 C TRP A 41 -7.300 -6.347 3.849 1.00 0.00 C ATOM 616 O TRP A 41 -7.906 -6.402 2.779 1.00 0.00 O ATOM 617 CB TRP A 41 -7.408 -8.650 4.942 1.00 0.00 C ATOM 618 CG TRP A 41 -7.761 -9.470 6.184 1.00 0.00 C ATOM 619 CD1 TRP A 41 -8.901 -9.453 6.888 1.00 0.00 C ATOM 620 CD2 TRP A 41 -6.916 -10.436 6.845 1.00 0.00 C ATOM 621 NE1 TRP A 41 -8.854 -10.333 7.949 1.00 0.00 N ATOM 622 CE2 TRP A 41 -7.608 -10.950 7.923 1.00 0.00 C ATOM 623 CE3 TRP A 41 -5.611 -10.861 6.543 1.00 0.00 C ATOM 624 CZ2 TRP A 41 -7.077 -11.916 8.785 1.00 0.00 C ATOM 625 CZ3 TRP A 41 -5.094 -11.827 7.414 1.00 0.00 C ATOM 626 CH2 TRP A 41 -5.778 -12.355 8.503 1.00 0.00 C ATOM 0 H TRP A 41 -9.762 -7.480 4.477 1.00 0.00 H new ATOM 0 HA TRP A 41 -7.257 -6.808 5.942 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -7.921 -9.077 4.080 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -6.338 -8.739 4.753 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.750 -8.828 6.654 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -9.597 -10.500 8.628 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.051 -10.473 5.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -7.639 -12.302 9.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.093 -12.188 7.227 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -5.309 -13.100 9.129 1.00 0.00 H new ATOM 637 N TRP A 42 -6.224 -5.605 4.064 1.00 0.00 N ATOM 638 CA TRP A 42 -5.665 -4.774 3.011 1.00 0.00 C ATOM 639 C TRP A 42 -4.812 -5.666 2.107 1.00 0.00 C ATOM 640 O TRP A 42 -4.227 -6.644 2.569 1.00 0.00 O ATOM 641 CB TRP A 42 -4.884 -3.596 3.599 1.00 0.00 C ATOM 642 CG TRP A 42 -5.757 -2.567 4.318 1.00 0.00 C ATOM 643 CD1 TRP A 42 -7.081 -2.607 4.523 1.00 0.00 C ATOM 644 CD2 TRP A 42 -5.312 -1.335 4.923 1.00 0.00 C ATOM 645 NE1 TRP A 42 -7.520 -1.496 5.213 1.00 0.00 N ATOM 646 CE2 TRP A 42 -6.410 -0.697 5.465 1.00 0.00 C ATOM 647 CE3 TRP A 42 -4.025 -0.777 5.011 1.00 0.00 C ATOM 648 CZ2 TRP A 42 -6.332 0.531 6.131 1.00 0.00 C ATOM 649 CZ3 TRP A 42 -3.963 0.451 5.680 1.00 0.00 C ATOM 650 CH2 TRP A 42 -5.059 1.106 6.230 1.00 0.00 C ATOM 0 H TRP A 42 -5.724 -5.562 4.952 1.00 0.00 H new ATOM 0 HA TRP A 42 -6.457 -4.327 2.410 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.141 -3.979 4.299 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -4.339 -3.098 2.797 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.724 -3.409 4.190 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.482 -1.297 5.488 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.152 -1.258 4.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.207 1.010 6.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.996 0.923 5.776 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.929 2.054 6.731 1.00 0.00 H new ATOM 661 N LYS A 43 -4.768 -5.296 0.836 1.00 0.00 N ATOM 662 CA LYS A 43 -3.996 -6.050 -0.137 1.00 0.00 C ATOM 663 C LYS A 43 -2.713 -5.286 -0.467 1.00 0.00 C ATOM 664 O LYS A 43 -2.732 -4.348 -1.263 1.00 0.00 O ATOM 665 CB LYS A 43 -4.851 -6.375 -1.363 1.00 0.00 C ATOM 666 CG LYS A 43 -4.249 -7.535 -2.160 1.00 0.00 C ATOM 667 CD LYS A 43 -4.932 -7.678 -3.521 1.00 0.00 C ATOM 668 CE LYS A 43 -4.138 -8.611 -4.438 1.00 0.00 C ATOM 669 NZ LYS A 43 -5.053 -9.413 -5.280 1.00 0.00 N ATOM 0 H LYS A 43 -5.255 -4.484 0.457 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.696 -7.012 0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.862 -6.632 -1.048 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.930 -5.494 -2.000 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.181 -7.368 -2.301 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.356 -8.462 -1.597 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.941 -8.067 -3.386 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.028 -6.698 -3.988 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.470 -8.027 -5.071 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.512 -9.272 -3.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.498 -10.040 -5.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.673 -9.985 -4.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.633 -8.778 -5.865 1.00 0.00 H new ATOM 683 N LEU A 44 -1.628 -5.714 0.162 1.00 0.00 N ATOM 684 CA LEU A 44 -0.338 -5.082 -0.055 1.00 0.00 C ATOM 685 C LEU A 44 0.443 -5.873 -1.106 1.00 0.00 C ATOM 686 O LEU A 44 0.069 -6.994 -1.450 1.00 0.00 O ATOM 687 CB LEU A 44 0.408 -4.918 1.270 1.00 0.00 C ATOM 688 CG LEU A 44 -0.399 -4.320 2.425 1.00 0.00 C ATOM 689 CD1 LEU A 44 -0.906 -2.920 2.073 1.00 0.00 C ATOM 690 CD2 LEU A 44 -1.538 -5.255 2.839 1.00 0.00 C ATOM 0 H LEU A 44 -1.616 -6.491 0.822 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.470 -4.074 -0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.778 -5.896 1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.280 -4.287 1.097 1.00 0.00 H new ATOM 0 HG LEU A 44 0.262 -4.216 3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.476 -2.518 2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.058 -2.268 1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.546 -2.975 1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.096 -4.807 3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.205 -5.413 1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.125 -6.212 3.159 1.00 0.00 H new ATOM 702 N ARG A 45 1.514 -5.259 -1.588 1.00 0.00 N ATOM 703 CA ARG A 45 2.350 -5.893 -2.593 1.00 0.00 C ATOM 704 C ARG A 45 3.812 -5.481 -2.403 1.00 0.00 C ATOM 705 O ARG A 45 4.137 -4.296 -2.446 1.00 0.00 O ATOM 706 CB ARG A 45 1.900 -5.511 -4.005 1.00 0.00 C ATOM 707 CG ARG A 45 2.667 -6.310 -5.060 1.00 0.00 C ATOM 708 CD ARG A 45 2.468 -5.712 -6.454 1.00 0.00 C ATOM 709 NE ARG A 45 1.069 -5.909 -6.894 1.00 0.00 N ATOM 710 CZ ARG A 45 0.618 -5.612 -8.120 1.00 0.00 C ATOM 711 NH1 ARG A 45 1.453 -5.104 -9.036 1.00 0.00 N ATOM 712 NH2 ARG A 45 -0.668 -5.825 -8.431 1.00 0.00 N ATOM 0 H ARG A 45 1.822 -4.330 -1.301 1.00 0.00 H new ATOM 0 HA ARG A 45 2.253 -6.972 -2.472 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.831 -5.694 -4.112 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.059 -4.445 -4.165 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.729 -6.320 -4.813 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.329 -7.346 -5.053 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.707 -4.649 -6.440 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.150 -6.183 -7.162 1.00 0.00 H new ATOM 0 HE ARG A 45 0.406 -6.295 -6.222 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.432 -4.943 -8.800 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.110 -4.878 -9.969 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.304 -6.213 -7.734 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.011 -5.599 -9.365 1.00 0.00 H new ATOM 726 N SER A 46 4.653 -6.483 -2.198 1.00 0.00 N ATOM 727 CA SER A 46 6.072 -6.241 -2.001 1.00 0.00 C ATOM 728 C SER A 46 6.735 -5.899 -3.337 1.00 0.00 C ATOM 729 O SER A 46 6.122 -6.044 -4.393 1.00 0.00 O ATOM 730 CB SER A 46 6.756 -7.453 -1.365 1.00 0.00 C ATOM 731 OG SER A 46 8.011 -7.113 -0.782 1.00 0.00 O ATOM 0 H SER A 46 4.379 -7.465 -2.164 1.00 0.00 H new ATOM 0 HA SER A 46 6.183 -5.397 -1.320 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.105 -7.877 -0.601 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.905 -8.224 -2.121 1.00 0.00 H new ATOM 0 HG SER A 46 8.415 -7.913 -0.385 1.00 0.00 H new ATOM 737 N ARG A 47 7.979 -5.451 -3.247 1.00 0.00 N ATOM 738 CA ARG A 47 8.731 -5.087 -4.436 1.00 0.00 C ATOM 739 C ARG A 47 9.056 -6.334 -5.261 1.00 0.00 C ATOM 740 O ARG A 47 9.481 -6.229 -6.410 1.00 0.00 O ATOM 741 CB ARG A 47 10.034 -4.375 -4.066 1.00 0.00 C ATOM 742 CG ARG A 47 9.785 -2.895 -3.772 1.00 0.00 C ATOM 743 CD ARG A 47 9.373 -2.687 -2.313 1.00 0.00 C ATOM 744 NE ARG A 47 10.304 -1.745 -1.653 1.00 0.00 N ATOM 745 CZ ARG A 47 10.180 -0.412 -1.696 1.00 0.00 C ATOM 746 NH1 ARG A 47 9.162 0.145 -2.367 1.00 0.00 N ATOM 747 NH2 ARG A 47 11.072 0.365 -1.067 1.00 0.00 N ATOM 0 H ARG A 47 8.485 -5.332 -2.369 1.00 0.00 H new ATOM 0 HA ARG A 47 8.113 -4.409 -5.025 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.479 -4.853 -3.193 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.750 -4.472 -4.882 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.688 -2.322 -3.984 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.004 -2.516 -4.432 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.356 -2.299 -2.266 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.375 -3.641 -1.787 1.00 0.00 H new ATOM 0 HE ARG A 47 11.090 -2.135 -1.133 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.482 -0.446 -2.845 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.067 1.160 -2.400 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.846 -0.059 -0.555 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.977 1.380 -1.100 1.00 0.00 H new ATOM 761 N SER A 48 8.842 -7.486 -4.642 1.00 0.00 N ATOM 762 CA SER A 48 9.106 -8.752 -5.305 1.00 0.00 C ATOM 763 C SER A 48 8.029 -9.027 -6.356 1.00 0.00 C ATOM 764 O SER A 48 8.259 -9.776 -7.304 1.00 0.00 O ATOM 765 CB SER A 48 9.169 -9.900 -4.295 1.00 0.00 C ATOM 766 OG SER A 48 10.451 -10.004 -3.684 1.00 0.00 O ATOM 0 H SER A 48 8.489 -7.569 -3.689 1.00 0.00 H new ATOM 0 HA SER A 48 10.076 -8.684 -5.798 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.412 -9.748 -3.526 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.929 -10.838 -4.797 1.00 0.00 H new ATOM 0 HG SER A 48 10.450 -10.747 -3.045 1.00 0.00 H new ATOM 772 N GLY A 49 6.876 -8.407 -6.152 1.00 0.00 N ATOM 773 CA GLY A 49 5.763 -8.576 -7.070 1.00 0.00 C ATOM 774 C GLY A 49 4.668 -9.447 -6.451 1.00 0.00 C ATOM 775 O GLY A 49 3.655 -9.725 -7.090 1.00 0.00 O ATOM 0 H GLY A 49 6.689 -7.787 -5.364 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.352 -7.601 -7.332 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.116 -9.032 -7.995 1.00 0.00 H new ATOM 779 N GLN A 50 4.911 -9.855 -5.213 1.00 0.00 N ATOM 780 CA GLN A 50 3.959 -10.689 -4.500 1.00 0.00 C ATOM 781 C GLN A 50 2.840 -9.830 -3.907 1.00 0.00 C ATOM 782 O GLN A 50 3.079 -8.700 -3.484 1.00 0.00 O ATOM 783 CB GLN A 50 4.655 -11.510 -3.414 1.00 0.00 C ATOM 784 CG GLN A 50 5.513 -12.618 -4.028 1.00 0.00 C ATOM 785 CD GLN A 50 6.856 -12.737 -3.306 1.00 0.00 C ATOM 786 OE1 GLN A 50 7.007 -12.359 -2.156 1.00 0.00 O ATOM 787 NE2 GLN A 50 7.820 -13.282 -4.042 1.00 0.00 N ATOM 0 H GLN A 50 5.753 -9.623 -4.686 1.00 0.00 H new ATOM 0 HA GLN A 50 3.516 -11.388 -5.209 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.280 -10.857 -2.804 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.909 -11.948 -2.751 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.981 -13.568 -3.972 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.682 -12.409 -5.084 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.626 -13.577 -4.999 1.00 0.00 H new ATOM 0 HE22 GLN A 50 8.753 -13.405 -3.650 1.00 0.00 H new ATOM 796 N ALA A 51 1.644 -10.400 -3.893 1.00 0.00 N ATOM 797 CA ALA A 51 0.488 -9.700 -3.358 1.00 0.00 C ATOM 798 C ALA A 51 -0.348 -10.671 -2.522 1.00 0.00 C ATOM 799 O ALA A 51 -0.671 -11.767 -2.977 1.00 0.00 O ATOM 800 CB ALA A 51 -0.311 -9.081 -4.506 1.00 0.00 C ATOM 0 H ALA A 51 1.450 -11.338 -4.243 1.00 0.00 H new ATOM 0 HA ALA A 51 0.801 -8.886 -2.704 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.178 -8.556 -4.104 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.319 -8.377 -5.050 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.645 -9.868 -5.183 1.00 0.00 H new ATOM 806 N GLY A 52 -0.675 -10.233 -1.315 1.00 0.00 N ATOM 807 CA GLY A 52 -1.467 -11.050 -0.412 1.00 0.00 C ATOM 808 C GLY A 52 -2.308 -10.177 0.522 1.00 0.00 C ATOM 809 O GLY A 52 -2.154 -8.956 0.543 1.00 0.00 O ATOM 0 H GLY A 52 -0.406 -9.323 -0.942 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.119 -11.707 -0.988 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.810 -11.690 0.176 1.00 0.00 H new ATOM 813 N TYR A 53 -3.179 -10.836 1.271 1.00 0.00 N ATOM 814 CA TYR A 53 -4.045 -10.135 2.205 1.00 0.00 C ATOM 815 C TYR A 53 -3.543 -10.292 3.642 1.00 0.00 C ATOM 816 O TYR A 53 -3.224 -11.399 4.074 1.00 0.00 O ATOM 817 CB TYR A 53 -5.420 -10.795 2.082 1.00 0.00 C ATOM 818 CG TYR A 53 -6.224 -10.334 0.865 1.00 0.00 C ATOM 819 CD1 TYR A 53 -6.650 -9.025 0.775 1.00 0.00 C ATOM 820 CD2 TYR A 53 -6.525 -11.229 -0.142 1.00 0.00 C ATOM 821 CE1 TYR A 53 -7.408 -8.591 -0.371 1.00 0.00 C ATOM 822 CE2 TYR A 53 -7.282 -10.795 -1.288 1.00 0.00 C ATOM 823 CZ TYR A 53 -7.686 -9.498 -1.345 1.00 0.00 C ATOM 824 OH TYR A 53 -8.402 -9.089 -2.427 1.00 0.00 O ATOM 0 H TYR A 53 -3.304 -11.848 1.251 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.071 -9.069 1.978 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.290 -11.876 2.030 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.994 -10.586 2.985 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.415 -8.325 1.564 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.193 -12.254 -0.071 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.747 -7.569 -0.454 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.523 -11.484 -2.084 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.524 -9.842 -3.042 1.00 0.00 H new ATOM 834 N VAL A 54 -3.488 -9.169 4.342 1.00 0.00 N ATOM 835 CA VAL A 54 -3.031 -9.168 5.721 1.00 0.00 C ATOM 836 C VAL A 54 -3.994 -8.339 6.573 1.00 0.00 C ATOM 837 O VAL A 54 -4.775 -7.551 6.043 1.00 0.00 O ATOM 838 CB VAL A 54 -1.586 -8.668 5.793 1.00 0.00 C ATOM 839 CG1 VAL A 54 -0.600 -9.837 5.771 1.00 0.00 C ATOM 840 CG2 VAL A 54 -1.292 -7.680 4.663 1.00 0.00 C ATOM 0 H VAL A 54 -3.753 -8.253 3.980 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.031 -10.181 6.124 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.459 -8.142 6.739 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.419 -9.454 5.823 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.788 -10.487 6.625 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.728 -10.404 4.849 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.259 -7.340 4.737 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.445 -8.171 3.702 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.962 -6.824 4.744 1.00 0.00 H new ATOM 850 N PRO A 55 -3.903 -8.551 7.913 1.00 0.00 N ATOM 851 CA PRO A 55 -4.757 -7.833 8.844 1.00 0.00 C ATOM 852 C PRO A 55 -4.294 -6.383 9.006 1.00 0.00 C ATOM 853 O PRO A 55 -3.095 -6.106 8.990 1.00 0.00 O ATOM 854 CB PRO A 55 -4.687 -8.628 10.137 1.00 0.00 C ATOM 855 CG PRO A 55 -3.441 -9.492 10.027 1.00 0.00 C ATOM 856 CD PRO A 55 -2.990 -9.477 8.576 1.00 0.00 C ATOM 0 HA PRO A 55 -5.787 -7.756 8.496 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.628 -7.965 11.000 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.578 -9.242 10.267 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.653 -9.110 10.676 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.653 -10.511 10.350 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.956 -9.145 8.486 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.045 -10.472 8.134 1.00 0.00 H new ATOM 864 N CYS A 56 -5.267 -5.498 9.160 1.00 0.00 N ATOM 865 CA CYS A 56 -4.974 -4.085 9.326 1.00 0.00 C ATOM 866 C CYS A 56 -4.632 -3.834 10.796 1.00 0.00 C ATOM 867 O CYS A 56 -4.344 -2.703 11.186 1.00 0.00 O ATOM 868 CB CYS A 56 -6.134 -3.207 8.852 1.00 0.00 C ATOM 869 SG CYS A 56 -5.681 -1.440 8.996 1.00 0.00 S ATOM 0 H CYS A 56 -6.260 -5.732 9.173 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.121 -3.813 8.704 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -6.381 -3.444 7.817 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -7.023 -3.413 9.448 1.00 0.00 H new ATOM 0 HG CYS A 56 -5.926 -0.836 7.871 1.00 0.00 H new ATOM 875 N ASN A 57 -4.675 -4.907 11.572 1.00 0.00 N ATOM 876 CA ASN A 57 -4.374 -4.818 12.991 1.00 0.00 C ATOM 877 C ASN A 57 -2.871 -4.600 13.176 1.00 0.00 C ATOM 878 O ASN A 57 -2.428 -4.181 14.244 1.00 0.00 O ATOM 879 CB ASN A 57 -4.758 -6.108 13.718 1.00 0.00 C ATOM 880 CG ASN A 57 -6.167 -6.007 14.307 1.00 0.00 C ATOM 881 OD1 ASN A 57 -6.879 -5.035 14.116 1.00 0.00 O ATOM 882 ND2 ASN A 57 -6.527 -7.063 15.031 1.00 0.00 N ATOM 0 H ASN A 57 -4.914 -5.843 11.245 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.945 -3.987 13.405 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.709 -6.948 13.026 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.041 -6.308 14.514 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.449 -7.092 15.467 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.881 -7.843 15.151 1.00 0.00 H new ATOM 889 N ILE A 58 -2.128 -4.895 12.119 1.00 0.00 N ATOM 890 CA ILE A 58 -0.684 -4.736 12.151 1.00 0.00 C ATOM 891 C ILE A 58 -0.279 -3.599 11.212 1.00 0.00 C ATOM 892 O ILE A 58 0.858 -3.131 11.252 1.00 0.00 O ATOM 893 CB ILE A 58 0.007 -6.066 11.842 1.00 0.00 C ATOM 894 CG1 ILE A 58 -0.359 -6.562 10.441 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.302 -7.108 12.918 1.00 0.00 C ATOM 896 CD1 ILE A 58 0.243 -7.942 10.174 1.00 0.00 C ATOM 0 H ILE A 58 -2.499 -5.243 11.235 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.353 -4.456 13.151 1.00 0.00 H new ATOM 0 HB ILE A 58 1.084 -5.902 11.854 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.443 -6.608 10.339 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.001 -5.854 9.695 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.201 -8.043 12.674 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.050 -6.748 13.885 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.378 -7.276 12.963 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.032 -8.271 9.172 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.329 -7.887 10.252 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.138 -8.653 10.907 1.00 0.00 H new ATOM 908 N LEU A 59 -1.231 -3.187 10.388 1.00 0.00 N ATOM 909 CA LEU A 59 -0.988 -2.113 9.440 1.00 0.00 C ATOM 910 C LEU A 59 -0.942 -0.779 10.188 1.00 0.00 C ATOM 911 O LEU A 59 -1.579 -0.625 11.229 1.00 0.00 O ATOM 912 CB LEU A 59 -2.020 -2.150 8.311 1.00 0.00 C ATOM 913 CG LEU A 59 -2.048 -3.428 7.470 1.00 0.00 C ATOM 914 CD1 LEU A 59 -3.201 -3.398 6.465 1.00 0.00 C ATOM 915 CD2 LEU A 59 -0.699 -3.665 6.788 1.00 0.00 C ATOM 0 H LEU A 59 -2.173 -3.578 10.357 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.019 -2.243 8.958 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.009 -2.002 8.745 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.834 -1.306 7.647 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.224 -4.272 8.137 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.198 -4.318 5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.147 -3.311 6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.081 -2.544 5.798 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.746 -4.579 6.197 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.468 -2.823 6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.079 -3.762 7.545 1.00 0.00 H new ATOM 927 N GLY A 60 -0.184 0.152 9.627 1.00 0.00 N ATOM 928 CA GLY A 60 -0.047 1.468 10.228 1.00 0.00 C ATOM 929 C GLY A 60 -0.108 2.565 9.164 1.00 0.00 C ATOM 930 O GLY A 60 -0.786 2.414 8.149 1.00 0.00 O ATOM 0 H GLY A 60 0.342 0.021 8.763 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.840 1.622 10.960 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.899 1.530 10.765 1.00 0.00 H new ATOM 934 N GLU A 61 0.611 3.646 9.432 1.00 0.00 N ATOM 935 CA GLU A 61 0.647 4.768 8.510 1.00 0.00 C ATOM 936 C GLU A 61 2.079 5.017 8.034 1.00 0.00 C ATOM 937 O GLU A 61 3.026 4.898 8.811 1.00 0.00 O ATOM 938 CB GLU A 61 0.057 6.025 9.153 1.00 0.00 C ATOM 939 CG GLU A 61 0.428 7.276 8.354 1.00 0.00 C ATOM 940 CD GLU A 61 -0.221 7.254 6.968 1.00 0.00 C ATOM 941 OE1 GLU A 61 -0.119 6.196 6.310 1.00 0.00 O ATOM 942 OE2 GLU A 61 -0.804 8.296 6.598 1.00 0.00 O ATOM 0 H GLU A 61 1.173 3.768 10.275 1.00 0.00 H new ATOM 0 HA GLU A 61 0.034 4.521 7.643 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.028 5.934 9.210 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.423 6.121 10.175 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.107 8.166 8.895 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.511 7.338 8.251 1.00 0.00 H new ATOM 949 N ALA A 62 2.194 5.359 6.759 1.00 0.00 N ATOM 950 CA ALA A 62 3.495 5.625 6.169 1.00 0.00 C ATOM 951 C ALA A 62 3.502 7.036 5.577 1.00 0.00 C ATOM 952 O ALA A 62 2.626 7.387 4.788 1.00 0.00 O ATOM 953 CB ALA A 62 3.813 4.553 5.125 1.00 0.00 C ATOM 0 H ALA A 62 1.407 5.458 6.118 1.00 0.00 H new ATOM 0 HA ALA A 62 4.276 5.581 6.928 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.789 4.754 4.683 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.825 3.573 5.602 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.052 4.568 4.345 1.00 0.00 H new ATOM 959 N SER A 63 4.501 7.808 5.981 1.00 0.00 N ATOM 960 CA SER A 63 4.634 9.173 5.500 1.00 0.00 C ATOM 961 C SER A 63 5.725 9.247 4.430 1.00 0.00 C ATOM 962 O SER A 63 6.782 8.633 4.573 1.00 0.00 O ATOM 963 CB SER A 63 4.951 10.133 6.649 1.00 0.00 C ATOM 964 OG SER A 63 6.276 9.957 7.141 1.00 0.00 O ATOM 0 H SER A 63 5.226 7.514 6.636 1.00 0.00 H new ATOM 0 HA SER A 63 3.683 9.475 5.061 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.824 11.161 6.308 1.00 0.00 H new ATOM 0 HB3 SER A 63 4.239 9.976 7.460 1.00 0.00 H new ATOM 0 HG SER A 63 6.440 10.589 7.872 1.00 0.00 H new ATOM 970 N GLY A 64 5.431 10.003 3.383 1.00 0.00 N ATOM 971 CA GLY A 64 6.374 10.165 2.289 1.00 0.00 C ATOM 972 C GLY A 64 6.885 11.605 2.215 1.00 0.00 C ATOM 973 O GLY A 64 6.672 12.392 3.136 1.00 0.00 O ATOM 0 H GLY A 64 4.553 10.510 3.269 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.214 9.484 2.424 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.894 9.897 1.348 1.00 0.00 H new ATOM 977 N PRO A 65 7.567 11.915 1.079 1.00 0.00 N ATOM 978 CA PRO A 65 8.110 13.247 0.873 1.00 0.00 C ATOM 979 C PRO A 65 7.002 14.242 0.520 1.00 0.00 C ATOM 980 O PRO A 65 6.031 13.885 -0.145 1.00 0.00 O ATOM 981 CB PRO A 65 9.137 13.085 -0.236 1.00 0.00 C ATOM 982 CG PRO A 65 8.803 11.772 -0.925 1.00 0.00 C ATOM 983 CD PRO A 65 7.838 11.009 -0.033 1.00 0.00 C ATOM 0 HA PRO A 65 8.573 13.656 1.771 1.00 0.00 H new ATOM 0 HB2 PRO A 65 9.089 13.918 -0.938 1.00 0.00 H new ATOM 0 HB3 PRO A 65 10.149 13.067 0.168 1.00 0.00 H new ATOM 0 HG2 PRO A 65 8.355 11.957 -1.901 1.00 0.00 H new ATOM 0 HG3 PRO A 65 9.708 11.189 -1.094 1.00 0.00 H new ATOM 0 HD2 PRO A 65 6.923 10.753 -0.567 1.00 0.00 H new ATOM 0 HD3 PRO A 65 8.276 10.074 0.316 1.00 0.00 H new ATOM 991 N SER A 66 7.185 15.470 0.982 1.00 0.00 N ATOM 992 CA SER A 66 6.214 16.519 0.724 1.00 0.00 C ATOM 993 C SER A 66 6.869 17.892 0.891 1.00 0.00 C ATOM 994 O SER A 66 7.925 18.008 1.510 1.00 0.00 O ATOM 995 CB SER A 66 5.005 16.392 1.654 1.00 0.00 C ATOM 996 OG SER A 66 5.284 16.883 2.962 1.00 0.00 O ATOM 0 H SER A 66 7.992 15.762 1.534 1.00 0.00 H new ATOM 0 HA SER A 66 5.862 16.413 -0.302 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.164 16.942 1.232 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.703 15.346 1.716 1.00 0.00 H new ATOM 0 HG SER A 66 4.487 16.786 3.525 1.00 0.00 H new ATOM 1002 N SER A 67 6.214 18.897 0.327 1.00 0.00 N ATOM 1003 CA SER A 67 6.720 20.257 0.406 1.00 0.00 C ATOM 1004 C SER A 67 6.766 20.715 1.865 1.00 0.00 C ATOM 1005 O SER A 67 5.757 20.667 2.566 1.00 0.00 O ATOM 1006 CB SER A 67 5.860 21.213 -0.424 1.00 0.00 C ATOM 1007 OG SER A 67 6.277 21.260 -1.786 1.00 0.00 O ATOM 0 H SER A 67 5.338 18.797 -0.186 1.00 0.00 H new ATOM 0 HA SER A 67 7.730 20.271 -0.004 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.818 20.899 -0.375 1.00 0.00 H new ATOM 0 HB3 SER A 67 5.912 22.213 0.006 1.00 0.00 H new ATOM 0 HG SER A 67 5.703 21.879 -2.283 1.00 0.00 H new ATOM 1013 N GLY A 68 7.948 21.148 2.278 1.00 0.00 N ATOM 1014 CA GLY A 68 8.138 21.614 3.641 1.00 0.00 C ATOM 1015 C GLY A 68 9.296 20.877 4.316 1.00 0.00 C ATOM 1016 O GLY A 68 10.010 20.111 3.670 1.00 0.00 O ATOM 0 H GLY A 68 8.783 21.186 1.693 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.337 22.686 3.638 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.222 21.461 4.212 1.00 0.00 H new TER 1020 GLY A 68