USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 600 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 26 LYS NZ :NH3+ 153:sc= 1.67 (180deg=0.0578) USER MOD Set 1.2: A 63 ASN : amide:sc= 0.553 K(o=2.2,f=-4.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= 0.784 K(o=0.78,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.017 X(o=-0.017,f=-0.31) USER MOD Single : A 19 CYS SG : rot 13:sc= 0.176 USER MOD Single : A 31 CYS SG : rot 72:sc= 0.525 USER MOD Single : A 33 GLN : amide:sc= 0.573 K(o=0.57,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0.203 K(o=0.2,f=-2.8!) USER MOD Single : A 37 ASN : amide:sc= 0.653 K(o=0.65,f=-3.3!) USER MOD Single : A 41 MET CE :methyl 167:sc= -0.524 (180deg=-1.44) USER MOD Single : A 49 CYS SG : rot -22:sc= 0.00411 USER MOD Single : A 50 THR OG1 : rot 89:sc= 0.0237 USER MOD Single : A 51 SER OG : rot -83:sc= 0.768 USER MOD Single : A 52 THR OG1 : rot -85:sc= 0.013 USER MOD Single : A 53 HIS : no HE2:sc= 0.857 K(o=0.86,f=-2.7!) USER MOD Single : A 54 LYS NZ :NH3+ 176:sc= 1.03 (180deg=1.02) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 77:sc= 0.784 USER MOD Single : A 67 HIS : no HE2:sc= 1.04 K(o=1,f=-3.1!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 176:sc= 0.745 (180deg=0.73) 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 ----------------------------------------------------------------- ATOM 1 N MET A 1 3.531 -3.871 -1.728 1.00 0.00 N ATOM 2 CA MET A 1 4.189 -2.543 -1.775 1.00 0.00 C ATOM 3 C MET A 1 5.083 -2.412 -0.550 1.00 0.00 C ATOM 4 O MET A 1 4.591 -2.443 0.580 1.00 0.00 O ATOM 5 CB MET A 1 3.162 -1.396 -1.859 1.00 0.00 C ATOM 6 CG MET A 1 3.819 -0.010 -1.962 1.00 0.00 C ATOM 7 SD MET A 1 4.981 0.221 -3.344 1.00 0.00 S ATOM 8 CE MET A 1 3.830 0.250 -4.751 1.00 0.00 C ATOM 0 H1 MET A 1 2.914 -3.982 -2.558 1.00 0.00 H new ATOM 0 H2 MET A 1 4.255 -4.618 -1.733 1.00 0.00 H new ATOM 0 H3 MET A 1 2.962 -3.946 -0.861 1.00 0.00 H new ATOM 0 HA MET A 1 4.793 -2.467 -2.679 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.520 -1.553 -2.726 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.521 -1.424 -0.978 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.031 0.738 -2.047 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.349 0.189 -1.031 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.390 0.385 -5.676 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.282 -0.692 -4.793 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.127 1.074 -4.629 1.00 0.00 H new ATOM 18 N SER A 2 6.400 -2.334 -0.735 1.00 0.00 N ATOM 19 CA SER A 2 7.364 -2.361 0.379 1.00 0.00 C ATOM 20 C SER A 2 7.471 -1.009 1.122 1.00 0.00 C ATOM 21 O SER A 2 7.051 0.034 0.613 1.00 0.00 O ATOM 22 CB SER A 2 8.749 -2.788 -0.142 1.00 0.00 C ATOM 23 OG SER A 2 8.675 -4.043 -0.811 1.00 0.00 O ATOM 0 H SER A 2 6.834 -2.251 -1.654 1.00 0.00 H new ATOM 0 HA SER A 2 6.993 -3.087 1.103 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.135 -2.030 -0.824 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.450 -2.855 0.690 1.00 0.00 H new ATOM 0 HG SER A 2 9.565 -4.294 -1.135 1.00 0.00 H new ATOM 29 N ALA A 3 8.072 -1.003 2.322 1.00 0.00 N ATOM 30 CA ALA A 3 8.188 0.190 3.176 1.00 0.00 C ATOM 31 C ALA A 3 9.152 1.272 2.636 1.00 0.00 C ATOM 32 O ALA A 3 9.057 2.429 3.048 1.00 0.00 O ATOM 33 CB ALA A 3 8.590 -0.268 4.579 1.00 0.00 C ATOM 0 H ALA A 3 8.496 -1.836 2.731 1.00 0.00 H new ATOM 0 HA ALA A 3 7.216 0.684 3.191 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.683 0.600 5.232 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.829 -0.940 4.974 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.546 -0.790 4.531 1.00 0.00 H new ATOM 39 N SER A 4 10.049 0.906 1.711 1.00 0.00 N ATOM 40 CA SER A 4 10.946 1.770 0.913 1.00 0.00 C ATOM 41 C SER A 4 12.197 2.249 1.673 1.00 0.00 C ATOM 42 O SER A 4 12.116 2.916 2.712 1.00 0.00 O ATOM 43 CB SER A 4 10.215 2.965 0.266 1.00 0.00 C ATOM 44 OG SER A 4 11.123 3.740 -0.509 1.00 0.00 O ATOM 0 H SER A 4 10.181 -0.078 1.479 1.00 0.00 H new ATOM 0 HA SER A 4 11.295 1.117 0.113 1.00 0.00 H new ATOM 0 HB2 SER A 4 9.403 2.604 -0.366 1.00 0.00 H new ATOM 0 HB3 SER A 4 9.765 3.587 1.040 1.00 0.00 H new ATOM 0 HG SER A 4 10.646 4.494 -0.915 1.00 0.00 H new ATOM 50 N ALA A 5 13.381 1.975 1.104 1.00 0.00 N ATOM 51 CA ALA A 5 14.667 2.449 1.625 1.00 0.00 C ATOM 52 C ALA A 5 14.794 3.981 1.566 1.00 0.00 C ATOM 53 O ALA A 5 15.357 4.596 2.475 1.00 0.00 O ATOM 54 CB ALA A 5 15.781 1.766 0.819 1.00 0.00 C ATOM 0 H ALA A 5 13.470 1.411 0.259 1.00 0.00 H new ATOM 0 HA ALA A 5 14.746 2.187 2.680 1.00 0.00 H new ATOM 0 HB1 ALA A 5 16.752 2.100 1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 5 15.702 0.685 0.933 1.00 0.00 H new ATOM 0 HB3 ALA A 5 15.681 2.028 -0.234 1.00 0.00 H new ATOM 60 N GLN A 6 14.245 4.601 0.516 1.00 0.00 N ATOM 61 CA GLN A 6 14.262 6.053 0.323 1.00 0.00 C ATOM 62 C GLN A 6 13.341 6.765 1.326 1.00 0.00 C ATOM 63 O GLN A 6 13.655 7.875 1.761 1.00 0.00 O ATOM 64 CB GLN A 6 13.849 6.387 -1.123 1.00 0.00 C ATOM 65 CG GLN A 6 14.872 5.896 -2.160 1.00 0.00 C ATOM 66 CD GLN A 6 14.512 6.345 -3.579 1.00 0.00 C ATOM 67 OE1 GLN A 6 15.146 7.214 -4.168 1.00 0.00 O ATOM 68 NE2 GLN A 6 13.486 5.783 -4.185 1.00 0.00 N ATOM 0 H GLN A 6 13.769 4.100 -0.234 1.00 0.00 H new ATOM 0 HA GLN A 6 15.276 6.412 0.501 1.00 0.00 H new ATOM 0 HB2 GLN A 6 12.879 5.936 -1.333 1.00 0.00 H new ATOM 0 HB3 GLN A 6 13.727 7.466 -1.222 1.00 0.00 H new ATOM 0 HG2 GLN A 6 15.861 6.274 -1.900 1.00 0.00 H new ATOM 0 HG3 GLN A 6 14.928 4.808 -2.127 1.00 0.00 H new ATOM 0 HE21 GLN A 6 12.947 5.059 -3.710 1.00 0.00 H new ATOM 0 HE22 GLN A 6 13.230 6.072 -5.129 1.00 0.00 H new ATOM 77 N GLN A 7 12.232 6.128 1.727 1.00 0.00 N ATOM 78 CA GLN A 7 11.348 6.645 2.776 1.00 0.00 C ATOM 79 C GLN A 7 12.007 6.509 4.158 1.00 0.00 C ATOM 80 O GLN A 7 12.001 7.471 4.924 1.00 0.00 O ATOM 81 CB GLN A 7 9.995 5.918 2.703 1.00 0.00 C ATOM 82 CG GLN A 7 8.980 6.434 3.732 1.00 0.00 C ATOM 83 CD GLN A 7 7.547 5.973 3.431 1.00 0.00 C ATOM 84 OE1 GLN A 7 6.628 6.771 3.281 1.00 0.00 O ATOM 85 NE2 GLN A 7 7.292 4.688 3.304 1.00 0.00 N ATOM 0 H GLN A 7 11.924 5.239 1.332 1.00 0.00 H new ATOM 0 HA GLN A 7 11.171 7.709 2.618 1.00 0.00 H new ATOM 0 HB2 GLN A 7 9.580 6.034 1.702 1.00 0.00 H new ATOM 0 HB3 GLN A 7 10.153 4.851 2.861 1.00 0.00 H new ATOM 0 HG2 GLN A 7 9.268 6.089 4.725 1.00 0.00 H new ATOM 0 HG3 GLN A 7 9.010 7.523 3.752 1.00 0.00 H new ATOM 0 HE21 GLN A 7 8.040 4.005 3.424 1.00 0.00 H new ATOM 0 HE22 GLN A 7 6.346 4.375 3.085 1.00 0.00 H new ATOM 94 N LEU A 8 12.621 5.357 4.469 1.00 0.00 N ATOM 95 CA LEU A 8 13.281 5.128 5.763 1.00 0.00 C ATOM 96 C LEU A 8 14.479 6.066 5.976 1.00 0.00 C ATOM 97 O LEU A 8 14.638 6.635 7.063 1.00 0.00 O ATOM 98 CB LEU A 8 13.641 3.632 5.860 1.00 0.00 C ATOM 99 CG LEU A 8 13.949 3.156 7.299 1.00 0.00 C ATOM 100 CD1 LEU A 8 13.500 1.703 7.489 1.00 0.00 C ATOM 101 CD2 LEU A 8 15.434 3.259 7.672 1.00 0.00 C ATOM 0 H LEU A 8 12.674 4.561 3.833 1.00 0.00 H new ATOM 0 HA LEU A 8 12.602 5.374 6.579 1.00 0.00 H new ATOM 0 HB2 LEU A 8 12.815 3.043 5.461 1.00 0.00 H new ATOM 0 HB3 LEU A 8 14.507 3.435 5.229 1.00 0.00 H new ATOM 0 HG LEU A 8 13.394 3.825 7.957 1.00 0.00 H new ATOM 0 HD11 LEU A 8 13.724 1.383 8.507 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.427 1.628 7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.029 1.063 6.783 1.00 0.00 H new ATOM 0 HD21 LEU A 8 15.578 2.909 8.694 1.00 0.00 H new ATOM 0 HD22 LEU A 8 16.024 2.644 6.992 1.00 0.00 H new ATOM 0 HD23 LEU A 8 15.757 4.297 7.595 1.00 0.00 H new ATOM 113 N ALA A 9 15.271 6.314 4.927 1.00 0.00 N ATOM 114 CA ALA A 9 16.391 7.255 4.938 1.00 0.00 C ATOM 115 C ALA A 9 15.992 8.712 5.248 1.00 0.00 C ATOM 116 O ALA A 9 16.822 9.487 5.726 1.00 0.00 O ATOM 117 CB ALA A 9 17.108 7.154 3.585 1.00 0.00 C ATOM 0 H ALA A 9 15.146 5.853 4.026 1.00 0.00 H new ATOM 0 HA ALA A 9 17.054 6.975 5.757 1.00 0.00 H new ATOM 0 HB1 ALA A 9 17.949 7.847 3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 9 17.472 6.137 3.441 1.00 0.00 H new ATOM 0 HB3 ALA A 9 16.412 7.406 2.785 1.00 0.00 H new ATOM 123 N GLU A 10 14.724 9.082 5.025 1.00 0.00 N ATOM 124 CA GLU A 10 14.213 10.425 5.301 1.00 0.00 C ATOM 125 C GLU A 10 14.196 10.755 6.809 1.00 0.00 C ATOM 126 O GLU A 10 14.342 11.924 7.162 1.00 0.00 O ATOM 127 CB GLU A 10 12.818 10.611 4.679 1.00 0.00 C ATOM 128 CG GLU A 10 12.418 12.090 4.564 1.00 0.00 C ATOM 129 CD GLU A 10 11.092 12.257 3.810 1.00 0.00 C ATOM 130 OE1 GLU A 10 11.108 12.373 2.562 1.00 0.00 O ATOM 131 OE2 GLU A 10 10.017 12.294 4.460 1.00 0.00 O ATOM 0 H GLU A 10 14.020 8.449 4.644 1.00 0.00 H new ATOM 0 HA GLU A 10 14.901 11.131 4.836 1.00 0.00 H new ATOM 0 HB2 GLU A 10 12.801 10.155 3.689 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.080 10.084 5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 10 12.328 12.522 5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.204 12.641 4.047 1.00 0.00 H new ATOM 138 N GLU A 11 14.096 9.749 7.689 1.00 0.00 N ATOM 139 CA GLU A 11 14.237 9.913 9.143 1.00 0.00 C ATOM 140 C GLU A 11 15.709 9.869 9.603 1.00 0.00 C ATOM 141 O GLU A 11 16.090 10.665 10.461 1.00 0.00 O ATOM 142 CB GLU A 11 13.421 8.844 9.890 1.00 0.00 C ATOM 143 CG GLU A 11 11.981 9.264 10.212 1.00 0.00 C ATOM 144 CD GLU A 11 11.133 9.556 8.963 1.00 0.00 C ATOM 145 OE1 GLU A 11 10.740 8.593 8.268 1.00 0.00 O ATOM 146 OE2 GLU A 11 10.816 10.743 8.703 1.00 0.00 O ATOM 0 H GLU A 11 13.913 8.786 7.408 1.00 0.00 H new ATOM 0 HA GLU A 11 13.849 10.902 9.386 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.397 7.935 9.289 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.932 8.597 10.820 1.00 0.00 H new ATOM 0 HG2 GLU A 11 11.501 8.474 10.790 1.00 0.00 H new ATOM 0 HG3 GLU A 11 12.003 10.153 10.843 1.00 0.00 H new ATOM 153 N LEU A 12 16.552 8.989 9.039 1.00 0.00 N ATOM 154 CA LEU A 12 17.960 8.828 9.435 1.00 0.00 C ATOM 155 C LEU A 12 18.728 10.158 9.445 1.00 0.00 C ATOM 156 O LEU A 12 19.458 10.450 10.394 1.00 0.00 O ATOM 157 CB LEU A 12 18.657 7.823 8.486 1.00 0.00 C ATOM 158 CG LEU A 12 18.090 6.392 8.449 1.00 0.00 C ATOM 159 CD1 LEU A 12 18.927 5.521 7.504 1.00 0.00 C ATOM 160 CD2 LEU A 12 18.051 5.725 9.827 1.00 0.00 C ATOM 0 H LEU A 12 16.271 8.361 8.286 1.00 0.00 H new ATOM 0 HA LEU A 12 17.968 8.448 10.456 1.00 0.00 H new ATOM 0 HB2 LEU A 12 18.620 8.229 7.475 1.00 0.00 H new ATOM 0 HB3 LEU A 12 19.708 7.764 8.767 1.00 0.00 H new ATOM 0 HG LEU A 12 17.063 6.478 8.093 1.00 0.00 H new ATOM 0 HD11 LEU A 12 18.519 4.510 7.484 1.00 0.00 H new ATOM 0 HD12 LEU A 12 18.900 5.944 6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 12 19.958 5.489 7.856 1.00 0.00 H new ATOM 0 HD21 LEU A 12 17.641 4.719 9.733 1.00 0.00 H new ATOM 0 HD22 LEU A 12 19.061 5.669 10.233 1.00 0.00 H new ATOM 0 HD23 LEU A 12 17.423 6.311 10.497 1.00 0.00 H new ATOM 172 N GLN A 13 18.519 10.989 8.423 1.00 0.00 N ATOM 173 CA GLN A 13 19.141 12.307 8.269 1.00 0.00 C ATOM 174 C GLN A 13 18.699 13.351 9.318 1.00 0.00 C ATOM 175 O GLN A 13 19.401 14.344 9.521 1.00 0.00 O ATOM 176 CB GLN A 13 18.874 12.821 6.834 1.00 0.00 C ATOM 177 CG GLN A 13 17.377 13.053 6.552 1.00 0.00 C ATOM 178 CD GLN A 13 17.063 13.557 5.143 1.00 0.00 C ATOM 179 OE1 GLN A 13 17.925 13.896 4.338 1.00 0.00 O ATOM 180 NE2 GLN A 13 15.793 13.638 4.805 1.00 0.00 N ATOM 0 H GLN A 13 17.891 10.756 7.653 1.00 0.00 H new ATOM 0 HA GLN A 13 20.209 12.176 8.442 1.00 0.00 H new ATOM 0 HB2 GLN A 13 19.417 13.754 6.680 1.00 0.00 H new ATOM 0 HB3 GLN A 13 19.267 12.101 6.116 1.00 0.00 H new ATOM 0 HG2 GLN A 13 16.841 12.118 6.717 1.00 0.00 H new ATOM 0 HG3 GLN A 13 16.992 13.773 7.275 1.00 0.00 H new ATOM 0 HE21 GLN A 13 15.070 13.358 5.468 1.00 0.00 H new ATOM 0 HE22 GLN A 13 15.532 13.980 3.880 1.00 0.00 H new ATOM 189 N ILE A 14 17.564 13.146 10.009 1.00 0.00 N ATOM 190 CA ILE A 14 17.076 14.045 11.075 1.00 0.00 C ATOM 191 C ILE A 14 17.785 13.733 12.397 1.00 0.00 C ATOM 192 O ILE A 14 18.173 14.649 13.129 1.00 0.00 O ATOM 193 CB ILE A 14 15.539 13.918 11.231 1.00 0.00 C ATOM 194 CG1 ILE A 14 14.773 14.134 9.903 1.00 0.00 C ATOM 195 CG2 ILE A 14 14.996 14.873 12.313 1.00 0.00 C ATOM 196 CD1 ILE A 14 15.004 15.480 9.203 1.00 0.00 C ATOM 0 H ILE A 14 16.953 12.346 9.844 1.00 0.00 H new ATOM 0 HA ILE A 14 17.304 15.074 10.797 1.00 0.00 H new ATOM 0 HB ILE A 14 15.362 12.889 11.545 1.00 0.00 H new ATOM 0 HG12 ILE A 14 15.050 13.336 9.213 1.00 0.00 H new ATOM 0 HG13 ILE A 14 13.706 14.029 10.101 1.00 0.00 H new ATOM 0 HG21 ILE A 14 13.915 14.755 12.393 1.00 0.00 H new ATOM 0 HG22 ILE A 14 15.459 14.638 13.271 1.00 0.00 H new ATOM 0 HG23 ILE A 14 15.229 15.902 12.040 1.00 0.00 H new ATOM 0 HD11 ILE A 14 14.417 15.518 8.285 1.00 0.00 H new ATOM 0 HD12 ILE A 14 14.697 16.291 9.864 1.00 0.00 H new ATOM 0 HD13 ILE A 14 16.062 15.588 8.962 1.00 0.00 H new ATOM 208 N PHE A 15 17.979 12.445 12.684 1.00 0.00 N ATOM 209 CA PHE A 15 18.623 11.945 13.901 1.00 0.00 C ATOM 210 C PHE A 15 20.162 11.896 13.804 1.00 0.00 C ATOM 211 O PHE A 15 20.833 11.598 14.796 1.00 0.00 O ATOM 212 CB PHE A 15 18.032 10.564 14.217 1.00 0.00 C ATOM 213 CG PHE A 15 16.527 10.575 14.456 1.00 0.00 C ATOM 214 CD1 PHE A 15 15.987 11.266 15.560 1.00 0.00 C ATOM 215 CD2 PHE A 15 15.667 9.877 13.588 1.00 0.00 C ATOM 216 CE1 PHE A 15 14.599 11.262 15.788 1.00 0.00 C ATOM 217 CE2 PHE A 15 14.278 9.865 13.826 1.00 0.00 C ATOM 218 CZ PHE A 15 13.743 10.557 14.923 1.00 0.00 C ATOM 0 H PHE A 15 17.683 11.697 12.057 1.00 0.00 H new ATOM 0 HA PHE A 15 18.419 12.642 14.714 1.00 0.00 H new ATOM 0 HB2 PHE A 15 18.254 9.888 13.392 1.00 0.00 H new ATOM 0 HB3 PHE A 15 18.527 10.162 15.101 1.00 0.00 H new ATOM 0 HD1 PHE A 15 16.641 11.800 16.233 1.00 0.00 H new ATOM 0 HD2 PHE A 15 16.072 9.349 12.737 1.00 0.00 H new ATOM 0 HE1 PHE A 15 14.190 11.802 16.629 1.00 0.00 H new ATOM 0 HE2 PHE A 15 13.623 9.321 13.162 1.00 0.00 H new ATOM 0 HZ PHE A 15 12.678 10.548 15.102 1.00 0.00 H new ATOM 228 N GLY A 16 20.737 12.171 12.625 1.00 0.00 N ATOM 229 CA GLY A 16 22.192 12.160 12.380 1.00 0.00 C ATOM 230 C GLY A 16 22.761 10.761 12.138 1.00 0.00 C ATOM 231 O GLY A 16 23.976 10.574 12.243 1.00 0.00 O ATOM 0 H GLY A 16 20.195 12.413 11.795 1.00 0.00 H new ATOM 0 HA2 GLY A 16 22.411 12.787 11.516 1.00 0.00 H new ATOM 0 HA3 GLY A 16 22.699 12.607 13.235 1.00 0.00 H new ATOM 235 N LEU A 17 21.907 9.775 11.835 1.00 0.00 N ATOM 236 CA LEU A 17 22.293 8.396 11.545 1.00 0.00 C ATOM 237 C LEU A 17 22.888 8.288 10.132 1.00 0.00 C ATOM 238 O LEU A 17 22.331 8.812 9.164 1.00 0.00 O ATOM 239 CB LEU A 17 21.068 7.466 11.710 1.00 0.00 C ATOM 240 CG LEU A 17 20.522 7.367 13.147 1.00 0.00 C ATOM 241 CD1 LEU A 17 19.225 6.555 13.124 1.00 0.00 C ATOM 242 CD2 LEU A 17 21.521 6.705 14.114 1.00 0.00 C ATOM 0 H LEU A 17 20.899 9.924 11.784 1.00 0.00 H new ATOM 0 HA LEU A 17 23.062 8.083 12.251 1.00 0.00 H new ATOM 0 HB2 LEU A 17 20.270 7.820 11.057 1.00 0.00 H new ATOM 0 HB3 LEU A 17 21.339 6.467 11.370 1.00 0.00 H new ATOM 0 HG LEU A 17 20.346 8.380 13.509 1.00 0.00 H new ATOM 0 HD11 LEU A 17 18.827 6.477 14.136 1.00 0.00 H new ATOM 0 HD12 LEU A 17 18.496 7.052 12.484 1.00 0.00 H new ATOM 0 HD13 LEU A 17 19.427 5.557 12.735 1.00 0.00 H new ATOM 0 HD21 LEU A 17 21.086 6.661 15.112 1.00 0.00 H new ATOM 0 HD22 LEU A 17 21.745 5.695 13.771 1.00 0.00 H new ATOM 0 HD23 LEU A 17 22.440 7.290 14.145 1.00 0.00 H new ATOM 254 N ASP A 18 24.019 7.593 10.016 1.00 0.00 N ATOM 255 CA ASP A 18 24.730 7.341 8.758 1.00 0.00 C ATOM 256 C ASP A 18 24.712 5.840 8.421 1.00 0.00 C ATOM 257 O ASP A 18 25.167 5.018 9.220 1.00 0.00 O ATOM 258 CB ASP A 18 26.169 7.863 8.873 1.00 0.00 C ATOM 259 CG ASP A 18 26.953 7.667 7.566 1.00 0.00 C ATOM 260 OD1 ASP A 18 26.558 8.264 6.535 1.00 0.00 O ATOM 261 OD2 ASP A 18 27.972 6.936 7.572 1.00 0.00 O ATOM 0 H ASP A 18 24.483 7.174 10.822 1.00 0.00 H new ATOM 0 HA ASP A 18 24.228 7.868 7.947 1.00 0.00 H new ATOM 0 HB2 ASP A 18 26.152 8.922 9.131 1.00 0.00 H new ATOM 0 HB3 ASP A 18 26.680 7.345 9.685 1.00 0.00 H new ATOM 266 N CYS A 19 24.167 5.493 7.251 1.00 0.00 N ATOM 267 CA CYS A 19 23.979 4.120 6.771 1.00 0.00 C ATOM 268 C CYS A 19 24.211 4.015 5.247 1.00 0.00 C ATOM 269 O CYS A 19 24.184 5.017 4.525 1.00 0.00 O ATOM 270 CB CYS A 19 22.550 3.660 7.126 1.00 0.00 C ATOM 271 SG CYS A 19 22.371 3.334 8.903 1.00 0.00 S ATOM 0 H CYS A 19 23.831 6.189 6.585 1.00 0.00 H new ATOM 0 HA CYS A 19 24.712 3.475 7.256 1.00 0.00 H new ATOM 0 HB2 CYS A 19 21.836 4.425 6.823 1.00 0.00 H new ATOM 0 HB3 CYS A 19 22.308 2.758 6.564 1.00 0.00 H new ATOM 0 HG CYS A 19 23.400 3.812 9.538 1.00 0.00 H new ATOM 277 N GLU A 20 24.388 2.783 4.770 1.00 0.00 N ATOM 278 CA GLU A 20 24.329 2.405 3.351 1.00 0.00 C ATOM 279 C GLU A 20 23.062 1.592 3.057 1.00 0.00 C ATOM 280 O GLU A 20 22.393 1.109 3.975 1.00 0.00 O ATOM 281 CB GLU A 20 25.597 1.627 2.940 1.00 0.00 C ATOM 282 CG GLU A 20 25.852 0.326 3.711 1.00 0.00 C ATOM 283 CD GLU A 20 27.139 -0.346 3.209 1.00 0.00 C ATOM 284 OE1 GLU A 20 27.098 -1.017 2.149 1.00 0.00 O ATOM 285 OE2 GLU A 20 28.204 -0.201 3.857 1.00 0.00 O ATOM 0 H GLU A 20 24.584 1.989 5.380 1.00 0.00 H new ATOM 0 HA GLU A 20 24.287 3.317 2.755 1.00 0.00 H new ATOM 0 HB2 GLU A 20 25.530 1.392 1.878 1.00 0.00 H new ATOM 0 HB3 GLU A 20 26.460 2.280 3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 20 25.936 0.537 4.777 1.00 0.00 H new ATOM 0 HG3 GLU A 20 25.007 -0.351 3.585 1.00 0.00 H new ATOM 292 N GLU A 21 22.766 1.378 1.772 1.00 0.00 N ATOM 293 CA GLU A 21 21.618 0.594 1.303 1.00 0.00 C ATOM 294 C GLU A 21 21.546 -0.797 1.954 1.00 0.00 C ATOM 295 O GLU A 21 20.469 -1.231 2.356 1.00 0.00 O ATOM 296 CB GLU A 21 21.670 0.435 -0.227 1.00 0.00 C ATOM 297 CG GLU A 21 21.657 1.745 -1.028 1.00 0.00 C ATOM 298 CD GLU A 21 20.381 2.569 -0.804 1.00 0.00 C ATOM 299 OE1 GLU A 21 19.307 2.195 -1.335 1.00 0.00 O ATOM 300 OE2 GLU A 21 20.450 3.614 -0.115 1.00 0.00 O ATOM 0 H GLU A 21 23.331 1.754 1.010 1.00 0.00 H new ATOM 0 HA GLU A 21 20.724 1.145 1.595 1.00 0.00 H new ATOM 0 HB2 GLU A 21 22.571 -0.121 -0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 21 20.820 -0.171 -0.541 1.00 0.00 H new ATOM 0 HG2 GLU A 21 22.524 2.344 -0.749 1.00 0.00 H new ATOM 0 HG3 GLU A 21 21.755 1.517 -2.089 1.00 0.00 H new ATOM 307 N ALA A 22 22.694 -1.466 2.132 1.00 0.00 N ATOM 308 CA ALA A 22 22.769 -2.790 2.748 1.00 0.00 C ATOM 309 C ALA A 22 22.381 -2.797 4.238 1.00 0.00 C ATOM 310 O ALA A 22 21.874 -3.805 4.734 1.00 0.00 O ATOM 311 CB ALA A 22 24.182 -3.351 2.532 1.00 0.00 C ATOM 0 H ALA A 22 23.602 -1.097 1.849 1.00 0.00 H new ATOM 0 HA ALA A 22 22.032 -3.430 2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 22 24.254 -4.339 2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 22 24.384 -3.427 1.464 1.00 0.00 H new ATOM 0 HB3 ALA A 22 24.912 -2.686 2.993 1.00 0.00 H new ATOM 317 N LEU A 23 22.582 -1.681 4.953 1.00 0.00 N ATOM 318 CA LEU A 23 22.129 -1.516 6.341 1.00 0.00 C ATOM 319 C LEU A 23 20.666 -1.051 6.394 1.00 0.00 C ATOM 320 O LEU A 23 19.922 -1.489 7.266 1.00 0.00 O ATOM 321 CB LEU A 23 23.053 -0.530 7.084 1.00 0.00 C ATOM 322 CG LEU A 23 24.538 -0.941 7.161 1.00 0.00 C ATOM 323 CD1 LEU A 23 25.308 0.148 7.917 1.00 0.00 C ATOM 324 CD2 LEU A 23 24.763 -2.298 7.843 1.00 0.00 C ATOM 0 H LEU A 23 23.066 -0.863 4.582 1.00 0.00 H new ATOM 0 HA LEU A 23 22.181 -2.483 6.840 1.00 0.00 H new ATOM 0 HB2 LEU A 23 22.988 0.441 6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 23 22.677 -0.401 8.099 1.00 0.00 H new ATOM 0 HG LEU A 23 24.900 -1.048 6.138 1.00 0.00 H new ATOM 0 HD11 LEU A 23 26.361 -0.128 7.980 1.00 0.00 H new ATOM 0 HD12 LEU A 23 25.212 1.096 7.387 1.00 0.00 H new ATOM 0 HD13 LEU A 23 24.899 0.252 8.922 1.00 0.00 H new ATOM 0 HD21 LEU A 23 25.829 -2.523 7.862 1.00 0.00 H new ATOM 0 HD22 LEU A 23 24.382 -2.260 8.863 1.00 0.00 H new ATOM 0 HD23 LEU A 23 24.238 -3.076 7.288 1.00 0.00 H new ATOM 336 N ILE A 24 20.221 -0.210 5.455 1.00 0.00 N ATOM 337 CA ILE A 24 18.829 0.276 5.360 1.00 0.00 C ATOM 338 C ILE A 24 17.852 -0.865 5.026 1.00 0.00 C ATOM 339 O ILE A 24 16.801 -0.982 5.662 1.00 0.00 O ATOM 340 CB ILE A 24 18.749 1.449 4.350 1.00 0.00 C ATOM 341 CG1 ILE A 24 19.528 2.667 4.903 1.00 0.00 C ATOM 342 CG2 ILE A 24 17.291 1.843 4.073 1.00 0.00 C ATOM 343 CD1 ILE A 24 19.809 3.764 3.866 1.00 0.00 C ATOM 0 H ILE A 24 20.825 0.163 4.723 1.00 0.00 H new ATOM 0 HA ILE A 24 18.520 0.656 6.334 1.00 0.00 H new ATOM 0 HB ILE A 24 19.196 1.124 3.411 1.00 0.00 H new ATOM 0 HG12 ILE A 24 18.963 3.100 5.728 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.476 2.320 5.314 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.266 2.668 3.361 1.00 0.00 H new ATOM 0 HG22 ILE A 24 16.756 0.989 3.658 1.00 0.00 H new ATOM 0 HG23 ILE A 24 16.815 2.152 5.003 1.00 0.00 H new ATOM 0 HD11 ILE A 24 20.358 4.579 4.338 1.00 0.00 H new ATOM 0 HD12 ILE A 24 20.403 3.351 3.051 1.00 0.00 H new ATOM 0 HD13 ILE A 24 18.866 4.142 3.472 1.00 0.00 H new ATOM 355 N GLU A 25 18.209 -1.742 4.084 1.00 0.00 N ATOM 356 CA GLU A 25 17.413 -2.927 3.740 1.00 0.00 C ATOM 357 C GLU A 25 17.125 -3.797 4.972 1.00 0.00 C ATOM 358 O GLU A 25 16.011 -4.293 5.123 1.00 0.00 O ATOM 359 CB GLU A 25 18.105 -3.768 2.651 1.00 0.00 C ATOM 360 CG GLU A 25 17.910 -3.169 1.252 1.00 0.00 C ATOM 361 CD GLU A 25 18.533 -4.074 0.177 1.00 0.00 C ATOM 362 OE1 GLU A 25 19.754 -3.971 -0.087 1.00 0.00 O ATOM 363 OE2 GLU A 25 17.798 -4.897 -0.419 1.00 0.00 O ATOM 0 H GLU A 25 19.063 -1.651 3.534 1.00 0.00 H new ATOM 0 HA GLU A 25 16.462 -2.565 3.350 1.00 0.00 H new ATOM 0 HB2 GLU A 25 19.170 -3.839 2.870 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.708 -4.783 2.670 1.00 0.00 H new ATOM 0 HG2 GLU A 25 16.846 -3.039 1.052 1.00 0.00 H new ATOM 0 HG3 GLU A 25 18.365 -2.180 1.209 1.00 0.00 H new ATOM 370 N LYS A 26 18.075 -3.932 5.903 1.00 0.00 N ATOM 371 CA LYS A 26 17.875 -4.701 7.137 1.00 0.00 C ATOM 372 C LYS A 26 16.737 -4.152 8.024 1.00 0.00 C ATOM 373 O LYS A 26 16.059 -4.951 8.667 1.00 0.00 O ATOM 374 CB LYS A 26 19.219 -4.797 7.875 1.00 0.00 C ATOM 375 CG LYS A 26 19.228 -5.669 9.144 1.00 0.00 C ATOM 376 CD LYS A 26 18.814 -7.132 8.951 1.00 0.00 C ATOM 377 CE LYS A 26 19.257 -7.906 10.199 1.00 0.00 C ATOM 378 NZ LYS A 26 18.712 -9.287 10.241 1.00 0.00 N ATOM 0 H LYS A 26 19.002 -3.513 5.824 1.00 0.00 H new ATOM 0 HA LYS A 26 17.539 -5.704 6.874 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.964 -5.189 7.183 1.00 0.00 H new ATOM 0 HB3 LYS A 26 19.535 -3.790 8.147 1.00 0.00 H new ATOM 0 HG2 LYS A 26 20.231 -5.648 9.569 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.561 -5.216 9.878 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.735 -7.210 8.814 1.00 0.00 H new ATOM 0 HD3 LYS A 26 19.280 -7.547 8.057 1.00 0.00 H new ATOM 0 HE2 LYS A 26 20.346 -7.949 10.228 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.936 -7.366 11.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 19.350 -9.896 10.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.773 -9.276 10.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.631 -9.658 9.273 1.00 0.00 H new ATOM 392 N LEU A 27 16.464 -2.835 8.014 1.00 0.00 N ATOM 393 CA LEU A 27 15.296 -2.240 8.686 1.00 0.00 C ATOM 394 C LEU A 27 14.039 -2.312 7.814 1.00 0.00 C ATOM 395 O LEU A 27 12.962 -2.605 8.339 1.00 0.00 O ATOM 396 CB LEU A 27 15.549 -0.775 9.099 1.00 0.00 C ATOM 397 CG LEU A 27 16.606 -0.489 10.183 1.00 0.00 C ATOM 398 CD1 LEU A 27 16.432 -1.372 11.428 1.00 0.00 C ATOM 399 CD2 LEU A 27 18.029 -0.598 9.621 1.00 0.00 C ATOM 0 H LEU A 27 17.051 -2.151 7.537 1.00 0.00 H new ATOM 0 HA LEU A 27 15.134 -2.832 9.587 1.00 0.00 H new ATOM 0 HB2 LEU A 27 15.835 -0.223 8.204 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.602 -0.359 9.442 1.00 0.00 H new ATOM 0 HG LEU A 27 16.447 0.540 10.504 1.00 0.00 H new ATOM 0 HD11 LEU A 27 17.203 -1.127 12.158 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.449 -1.195 11.865 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.520 -2.421 11.145 1.00 0.00 H new ATOM 0 HD21 LEU A 27 18.750 -0.390 10.412 1.00 0.00 H new ATOM 0 HD22 LEU A 27 18.192 -1.605 9.237 1.00 0.00 H new ATOM 0 HD23 LEU A 27 18.158 0.124 8.814 1.00 0.00 H new ATOM 411 N VAL A 28 14.152 -2.085 6.498 1.00 0.00 N ATOM 412 CA VAL A 28 13.013 -2.217 5.555 1.00 0.00 C ATOM 413 C VAL A 28 12.425 -3.638 5.598 1.00 0.00 C ATOM 414 O VAL A 28 11.203 -3.790 5.611 1.00 0.00 O ATOM 415 CB VAL A 28 13.410 -1.830 4.111 1.00 0.00 C ATOM 416 CG1 VAL A 28 12.302 -2.098 3.070 1.00 0.00 C ATOM 417 CG2 VAL A 28 13.784 -0.341 4.020 1.00 0.00 C ATOM 0 H VAL A 28 15.026 -1.806 6.051 1.00 0.00 H new ATOM 0 HA VAL A 28 12.244 -1.516 5.879 1.00 0.00 H new ATOM 0 HB VAL A 28 14.264 -2.466 3.877 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.652 -1.802 2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.056 -3.160 3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.414 -1.521 3.328 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.059 -0.097 2.994 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.931 0.267 4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.627 -0.137 4.680 1.00 0.00 H new ATOM 427 N GLU A 29 13.266 -4.671 5.725 1.00 0.00 N ATOM 428 CA GLU A 29 12.838 -6.055 5.952 1.00 0.00 C ATOM 429 C GLU A 29 11.971 -6.197 7.209 1.00 0.00 C ATOM 430 O GLU A 29 10.938 -6.863 7.140 1.00 0.00 O ATOM 431 CB GLU A 29 14.058 -6.990 6.047 1.00 0.00 C ATOM 432 CG GLU A 29 14.636 -7.342 4.671 1.00 0.00 C ATOM 433 CD GLU A 29 15.789 -8.352 4.799 1.00 0.00 C ATOM 434 OE1 GLU A 29 16.910 -7.958 5.201 1.00 0.00 O ATOM 435 OE2 GLU A 29 15.585 -9.548 4.481 1.00 0.00 O ATOM 0 H GLU A 29 14.279 -4.566 5.672 1.00 0.00 H new ATOM 0 HA GLU A 29 12.227 -6.343 5.096 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.830 -6.514 6.651 1.00 0.00 H new ATOM 0 HB3 GLU A 29 13.770 -7.907 6.562 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.852 -7.758 4.039 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.994 -6.437 4.180 1.00 0.00 H new ATOM 442 N LEU A 30 12.313 -5.540 8.329 1.00 0.00 N ATOM 443 CA LEU A 30 11.484 -5.587 9.545 1.00 0.00 C ATOM 444 C LEU A 30 10.124 -4.932 9.300 1.00 0.00 C ATOM 445 O LEU A 30 9.093 -5.511 9.628 1.00 0.00 O ATOM 446 CB LEU A 30 12.173 -4.934 10.763 1.00 0.00 C ATOM 447 CG LEU A 30 13.589 -5.432 11.081 1.00 0.00 C ATOM 448 CD1 LEU A 30 14.092 -4.781 12.376 1.00 0.00 C ATOM 449 CD2 LEU A 30 13.673 -6.960 11.189 1.00 0.00 C ATOM 0 H LEU A 30 13.155 -4.972 8.418 1.00 0.00 H new ATOM 0 HA LEU A 30 11.341 -6.642 9.781 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.216 -3.858 10.597 1.00 0.00 H new ATOM 0 HB3 LEU A 30 11.547 -5.096 11.640 1.00 0.00 H new ATOM 0 HG LEU A 30 14.227 -5.140 10.246 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.098 -5.139 12.596 1.00 0.00 H new ATOM 0 HD12 LEU A 30 14.110 -3.698 12.255 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.426 -5.043 13.198 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.698 -7.253 11.415 1.00 0.00 H new ATOM 0 HD22 LEU A 30 13.013 -7.305 11.985 1.00 0.00 H new ATOM 0 HD23 LEU A 30 13.368 -7.409 10.244 1.00 0.00 H new ATOM 461 N CYS A 31 10.108 -3.751 8.677 1.00 0.00 N ATOM 462 CA CYS A 31 8.877 -3.016 8.371 1.00 0.00 C ATOM 463 C CYS A 31 7.895 -3.857 7.537 1.00 0.00 C ATOM 464 O CYS A 31 6.688 -3.820 7.789 1.00 0.00 O ATOM 465 CB CYS A 31 9.241 -1.710 7.657 1.00 0.00 C ATOM 466 SG CYS A 31 10.356 -0.684 8.660 1.00 0.00 S ATOM 0 H CYS A 31 10.955 -3.274 8.368 1.00 0.00 H new ATOM 0 HA CYS A 31 8.364 -2.787 9.305 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.716 -1.937 6.702 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.332 -1.151 7.436 1.00 0.00 H new ATOM 0 HG CYS A 31 11.536 -1.229 8.692 1.00 0.00 H new ATOM 472 N VAL A 32 8.416 -4.629 6.580 1.00 0.00 N ATOM 473 CA VAL A 32 7.638 -5.507 5.681 1.00 0.00 C ATOM 474 C VAL A 32 7.250 -6.831 6.365 1.00 0.00 C ATOM 475 O VAL A 32 6.103 -7.263 6.234 1.00 0.00 O ATOM 476 CB VAL A 32 8.412 -5.745 4.362 1.00 0.00 C ATOM 477 CG1 VAL A 32 7.735 -6.777 3.447 1.00 0.00 C ATOM 478 CG2 VAL A 32 8.563 -4.428 3.576 1.00 0.00 C ATOM 0 H VAL A 32 9.419 -4.667 6.398 1.00 0.00 H new ATOM 0 HA VAL A 32 6.703 -5.001 5.439 1.00 0.00 H new ATOM 0 HB VAL A 32 9.387 -6.134 4.655 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.325 -6.900 2.539 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.664 -7.733 3.966 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.735 -6.431 3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.110 -4.616 2.652 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.576 -4.031 3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.110 -3.704 4.180 1.00 0.00 H new ATOM 488 N GLN A 33 8.164 -7.468 7.104 1.00 0.00 N ATOM 489 CA GLN A 33 7.936 -8.759 7.765 1.00 0.00 C ATOM 490 C GLN A 33 6.948 -8.634 8.941 1.00 0.00 C ATOM 491 O GLN A 33 6.075 -9.488 9.097 1.00 0.00 O ATOM 492 CB GLN A 33 9.294 -9.311 8.256 1.00 0.00 C ATOM 493 CG GLN A 33 9.234 -10.631 9.046 1.00 0.00 C ATOM 494 CD GLN A 33 8.661 -11.804 8.244 1.00 0.00 C ATOM 495 OE1 GLN A 33 9.380 -12.592 7.644 1.00 0.00 O ATOM 496 NE2 GLN A 33 7.354 -11.962 8.194 1.00 0.00 N ATOM 0 H GLN A 33 9.100 -7.095 7.263 1.00 0.00 H new ATOM 0 HA GLN A 33 7.489 -9.446 7.047 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.940 -9.457 7.390 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.767 -8.555 8.883 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.238 -10.889 9.382 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.627 -10.482 9.939 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.743 -11.313 8.689 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.954 -12.733 7.660 1.00 0.00 H new ATOM 505 N TYR A 34 7.087 -7.591 9.761 1.00 0.00 N ATOM 506 CA TYR A 34 6.242 -7.334 10.928 1.00 0.00 C ATOM 507 C TYR A 34 5.002 -6.476 10.598 1.00 0.00 C ATOM 508 O TYR A 34 4.056 -6.461 11.385 1.00 0.00 O ATOM 509 CB TYR A 34 7.104 -6.689 12.028 1.00 0.00 C ATOM 510 CG TYR A 34 8.105 -7.651 12.658 1.00 0.00 C ATOM 511 CD1 TYR A 34 9.362 -7.877 12.064 1.00 0.00 C ATOM 512 CD2 TYR A 34 7.780 -8.315 13.857 1.00 0.00 C ATOM 513 CE1 TYR A 34 10.293 -8.755 12.654 1.00 0.00 C ATOM 514 CE2 TYR A 34 8.706 -9.186 14.462 1.00 0.00 C ATOM 515 CZ TYR A 34 9.965 -9.415 13.860 1.00 0.00 C ATOM 516 OH TYR A 34 10.865 -10.261 14.436 1.00 0.00 O ATOM 0 H TYR A 34 7.809 -6.883 9.628 1.00 0.00 H new ATOM 0 HA TYR A 34 5.844 -8.286 11.281 1.00 0.00 H new ATOM 0 HB2 TYR A 34 7.643 -5.841 11.606 1.00 0.00 H new ATOM 0 HB3 TYR A 34 6.451 -6.295 12.807 1.00 0.00 H new ATOM 0 HD1 TYR A 34 9.616 -7.371 11.144 1.00 0.00 H new ATOM 0 HD2 TYR A 34 6.815 -8.155 14.315 1.00 0.00 H new ATOM 0 HE1 TYR A 34 11.252 -8.923 12.187 1.00 0.00 H new ATOM 0 HE2 TYR A 34 8.454 -9.681 15.388 1.00 0.00 H new ATOM 0 HH TYR A 34 10.485 -10.632 15.260 1.00 0.00 H new ATOM 526 N GLY A 35 4.986 -5.777 9.451 1.00 0.00 N ATOM 527 CA GLY A 35 3.843 -4.975 8.991 1.00 0.00 C ATOM 528 C GLY A 35 3.686 -3.708 9.825 1.00 0.00 C ATOM 529 O GLY A 35 2.629 -3.477 10.415 1.00 0.00 O ATOM 0 H GLY A 35 5.778 -5.754 8.809 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.981 -4.709 7.943 1.00 0.00 H new ATOM 0 HA3 GLY A 35 2.931 -5.569 9.052 1.00 0.00 H new ATOM 533 N GLN A 36 4.761 -2.933 9.934 1.00 0.00 N ATOM 534 CA GLN A 36 4.945 -1.913 10.964 1.00 0.00 C ATOM 535 C GLN A 36 5.665 -0.676 10.395 1.00 0.00 C ATOM 536 O GLN A 36 6.454 -0.773 9.453 1.00 0.00 O ATOM 537 CB GLN A 36 5.730 -2.563 12.123 1.00 0.00 C ATOM 538 CG GLN A 36 5.965 -1.671 13.358 1.00 0.00 C ATOM 539 CD GLN A 36 4.654 -1.162 13.963 1.00 0.00 C ATOM 540 OE1 GLN A 36 4.210 -0.048 13.705 1.00 0.00 O ATOM 541 NE2 GLN A 36 3.953 -1.955 14.746 1.00 0.00 N ATOM 0 H GLN A 36 5.550 -2.998 9.291 1.00 0.00 H new ATOM 0 HA GLN A 36 3.983 -1.555 11.330 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.196 -3.458 12.441 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.699 -2.888 11.743 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.516 -2.234 14.111 1.00 0.00 H new ATOM 0 HG3 GLN A 36 6.587 -0.821 13.077 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.303 -2.886 14.974 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.060 -1.639 15.125 1.00 0.00 H new ATOM 550 N ASN A 37 5.383 0.498 10.968 1.00 0.00 N ATOM 551 CA ASN A 37 5.934 1.778 10.529 1.00 0.00 C ATOM 552 C ASN A 37 7.408 1.960 10.944 1.00 0.00 C ATOM 553 O ASN A 37 7.802 1.677 12.080 1.00 0.00 O ATOM 554 CB ASN A 37 5.050 2.913 11.064 1.00 0.00 C ATOM 555 CG ASN A 37 5.459 4.258 10.476 1.00 0.00 C ATOM 556 OD1 ASN A 37 6.401 4.888 10.945 1.00 0.00 O ATOM 557 ND2 ASN A 37 4.798 4.722 9.430 1.00 0.00 N ATOM 0 H ASN A 37 4.753 0.584 11.765 1.00 0.00 H new ATOM 0 HA ASN A 37 5.931 1.800 9.439 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.007 2.710 10.821 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.123 2.952 12.151 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.070 5.609 9.007 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.016 4.193 9.045 1.00 0.00 H new ATOM 564 N GLU A 38 8.209 2.500 10.023 1.00 0.00 N ATOM 565 CA GLU A 38 9.653 2.712 10.152 1.00 0.00 C ATOM 566 C GLU A 38 10.088 3.669 11.278 1.00 0.00 C ATOM 567 O GLU A 38 11.235 3.598 11.722 1.00 0.00 O ATOM 568 CB GLU A 38 10.230 3.160 8.793 1.00 0.00 C ATOM 569 CG GLU A 38 9.773 4.520 8.234 1.00 0.00 C ATOM 570 CD GLU A 38 8.314 4.579 7.729 1.00 0.00 C ATOM 571 OE1 GLU A 38 7.698 3.513 7.489 1.00 0.00 O ATOM 572 OE2 GLU A 38 7.775 5.698 7.572 1.00 0.00 O ATOM 0 H GLU A 38 7.851 2.817 9.122 1.00 0.00 H new ATOM 0 HA GLU A 38 10.066 1.749 10.451 1.00 0.00 H new ATOM 0 HB2 GLU A 38 11.316 3.182 8.881 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.985 2.395 8.056 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.900 5.273 9.012 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.434 4.795 7.412 1.00 0.00 H new ATOM 579 N GLU A 39 9.201 4.538 11.778 1.00 0.00 N ATOM 580 CA GLU A 39 9.477 5.436 12.904 1.00 0.00 C ATOM 581 C GLU A 39 9.846 4.671 14.189 1.00 0.00 C ATOM 582 O GLU A 39 10.691 5.134 14.957 1.00 0.00 O ATOM 583 CB GLU A 39 8.265 6.357 13.131 1.00 0.00 C ATOM 584 CG GLU A 39 8.524 7.459 14.170 1.00 0.00 C ATOM 585 CD GLU A 39 7.307 8.388 14.302 1.00 0.00 C ATOM 586 OE1 GLU A 39 6.394 8.089 15.112 1.00 0.00 O ATOM 587 OE2 GLU A 39 7.256 9.432 13.609 1.00 0.00 O ATOM 0 H GLU A 39 8.257 4.638 11.405 1.00 0.00 H new ATOM 0 HA GLU A 39 10.348 6.040 12.651 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.986 6.819 12.184 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.416 5.755 13.454 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.748 7.007 15.136 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.399 8.040 13.879 1.00 0.00 H new ATOM 594 N GLY A 40 9.282 3.474 14.403 1.00 0.00 N ATOM 595 CA GLY A 40 9.655 2.586 15.511 1.00 0.00 C ATOM 596 C GLY A 40 11.030 1.951 15.294 1.00 0.00 C ATOM 597 O GLY A 40 11.863 1.952 16.202 1.00 0.00 O ATOM 0 H GLY A 40 8.548 3.092 13.806 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.659 3.151 16.443 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.905 1.802 15.616 1.00 0.00 H new ATOM 601 N MET A 41 11.291 1.467 14.075 1.00 0.00 N ATOM 602 CA MET A 41 12.560 0.854 13.667 1.00 0.00 C ATOM 603 C MET A 41 13.718 1.848 13.753 1.00 0.00 C ATOM 604 O MET A 41 14.761 1.503 14.303 1.00 0.00 O ATOM 605 CB MET A 41 12.462 0.279 12.242 1.00 0.00 C ATOM 606 CG MET A 41 11.738 -1.068 12.174 1.00 0.00 C ATOM 607 SD MET A 41 9.993 -1.070 12.658 1.00 0.00 S ATOM 608 CE MET A 41 9.632 -2.803 12.300 1.00 0.00 C ATOM 0 H MET A 41 10.604 1.492 13.322 1.00 0.00 H new ATOM 0 HA MET A 41 12.761 0.038 14.361 1.00 0.00 H new ATOM 0 HB2 MET A 41 11.942 0.994 11.605 1.00 0.00 H new ATOM 0 HB3 MET A 41 13.467 0.163 11.836 1.00 0.00 H new ATOM 0 HG2 MET A 41 11.810 -1.443 11.153 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.270 -1.774 12.811 1.00 0.00 H new ATOM 0 HE1 MET A 41 8.673 -3.074 12.742 1.00 0.00 H new ATOM 0 HE2 MET A 41 9.588 -2.950 11.221 1.00 0.00 H new ATOM 0 HE3 MET A 41 10.416 -3.432 12.721 1.00 0.00 H new ATOM 618 N VAL A 42 13.539 3.080 13.270 1.00 0.00 N ATOM 619 CA VAL A 42 14.566 4.128 13.360 1.00 0.00 C ATOM 620 C VAL A 42 14.678 4.697 14.787 1.00 0.00 C ATOM 621 O VAL A 42 15.787 4.882 15.280 1.00 0.00 O ATOM 622 CB VAL A 42 14.313 5.260 12.334 1.00 0.00 C ATOM 623 CG1 VAL A 42 15.325 6.400 12.506 1.00 0.00 C ATOM 624 CG2 VAL A 42 14.424 4.731 10.896 1.00 0.00 C ATOM 0 H VAL A 42 12.682 3.381 12.806 1.00 0.00 H new ATOM 0 HA VAL A 42 15.519 3.660 13.115 1.00 0.00 H new ATOM 0 HB VAL A 42 13.305 5.634 12.516 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.123 7.180 11.772 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.238 6.815 13.510 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.334 6.016 12.358 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.242 5.545 10.194 1.00 0.00 H new ATOM 0 HG22 VAL A 42 15.423 4.327 10.733 1.00 0.00 H new ATOM 0 HG23 VAL A 42 13.685 3.945 10.739 1.00 0.00 H new ATOM 634 N GLY A 43 13.553 4.951 15.468 1.00 0.00 N ATOM 635 CA GLY A 43 13.524 5.639 16.765 1.00 0.00 C ATOM 636 C GLY A 43 14.140 4.831 17.907 1.00 0.00 C ATOM 637 O GLY A 43 14.984 5.349 18.637 1.00 0.00 O ATOM 0 H GLY A 43 12.629 4.682 15.131 1.00 0.00 H new ATOM 0 HA2 GLY A 43 14.056 6.586 16.675 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.490 5.876 17.017 1.00 0.00 H new ATOM 641 N GLU A 44 13.762 3.556 18.042 1.00 0.00 N ATOM 642 CA GLU A 44 14.252 2.699 19.129 1.00 0.00 C ATOM 643 C GLU A 44 15.708 2.237 18.930 1.00 0.00 C ATOM 644 O GLU A 44 16.392 1.897 19.901 1.00 0.00 O ATOM 645 CB GLU A 44 13.312 1.495 19.310 1.00 0.00 C ATOM 646 CG GLU A 44 11.896 1.895 19.749 1.00 0.00 C ATOM 647 CD GLU A 44 11.876 2.645 21.093 1.00 0.00 C ATOM 648 OE1 GLU A 44 12.151 2.029 22.149 1.00 0.00 O ATOM 649 OE2 GLU A 44 11.589 3.863 21.103 1.00 0.00 O ATOM 0 H GLU A 44 13.113 3.091 17.407 1.00 0.00 H new ATOM 0 HA GLU A 44 14.252 3.302 20.037 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.253 0.944 18.371 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.738 0.818 20.051 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.447 2.524 18.981 1.00 0.00 H new ATOM 0 HG3 GLU A 44 11.279 1.000 19.829 1.00 0.00 H new ATOM 656 N LEU A 45 16.214 2.263 17.689 1.00 0.00 N ATOM 657 CA LEU A 45 17.602 1.929 17.361 1.00 0.00 C ATOM 658 C LEU A 45 18.597 2.953 17.932 1.00 0.00 C ATOM 659 O LEU A 45 19.706 2.585 18.318 1.00 0.00 O ATOM 660 CB LEU A 45 17.710 1.830 15.828 1.00 0.00 C ATOM 661 CG LEU A 45 19.090 1.395 15.291 1.00 0.00 C ATOM 662 CD1 LEU A 45 19.390 -0.063 15.667 1.00 0.00 C ATOM 663 CD2 LEU A 45 19.112 1.570 13.765 1.00 0.00 C ATOM 0 H LEU A 45 15.659 2.521 16.873 1.00 0.00 H new ATOM 0 HA LEU A 45 17.866 0.977 17.820 1.00 0.00 H new ATOM 0 HB2 LEU A 45 16.961 1.123 15.472 1.00 0.00 H new ATOM 0 HB3 LEU A 45 17.461 2.801 15.399 1.00 0.00 H new ATOM 0 HG LEU A 45 19.861 2.019 15.742 1.00 0.00 H new ATOM 0 HD11 LEU A 45 20.368 -0.345 15.277 1.00 0.00 H new ATOM 0 HD12 LEU A 45 19.388 -0.167 16.752 1.00 0.00 H new ATOM 0 HD13 LEU A 45 18.627 -0.713 15.239 1.00 0.00 H new ATOM 0 HD21 LEU A 45 20.084 1.265 13.378 1.00 0.00 H new ATOM 0 HD22 LEU A 45 18.333 0.953 13.317 1.00 0.00 H new ATOM 0 HD23 LEU A 45 18.935 2.616 13.516 1.00 0.00 H new ATOM 675 N ILE A 46 18.193 4.228 18.012 1.00 0.00 N ATOM 676 CA ILE A 46 19.017 5.336 18.542 1.00 0.00 C ATOM 677 C ILE A 46 19.353 5.094 20.016 1.00 0.00 C ATOM 678 O ILE A 46 20.514 5.177 20.408 1.00 0.00 O ATOM 679 CB ILE A 46 18.296 6.687 18.334 1.00 0.00 C ATOM 680 CG1 ILE A 46 18.129 6.964 16.824 1.00 0.00 C ATOM 681 CG2 ILE A 46 19.055 7.856 19.000 1.00 0.00 C ATOM 682 CD1 ILE A 46 17.023 7.970 16.522 1.00 0.00 C ATOM 0 H ILE A 46 17.268 4.529 17.706 1.00 0.00 H new ATOM 0 HA ILE A 46 19.958 5.375 17.993 1.00 0.00 H new ATOM 0 HB ILE A 46 17.317 6.616 18.809 1.00 0.00 H new ATOM 0 HG12 ILE A 46 19.071 7.337 16.422 1.00 0.00 H new ATOM 0 HG13 ILE A 46 17.911 6.028 16.310 1.00 0.00 H new ATOM 0 HG21 ILE A 46 18.513 8.786 18.829 1.00 0.00 H new ATOM 0 HG22 ILE A 46 19.135 7.674 20.072 1.00 0.00 H new ATOM 0 HG23 ILE A 46 20.054 7.934 18.570 1.00 0.00 H new ATOM 0 HD11 ILE A 46 16.954 8.123 15.445 1.00 0.00 H new ATOM 0 HD12 ILE A 46 16.073 7.589 16.896 1.00 0.00 H new ATOM 0 HD13 ILE A 46 17.251 8.918 17.009 1.00 0.00 H new ATOM 694 N ALA A 47 18.351 4.740 20.829 1.00 0.00 N ATOM 695 CA ALA A 47 18.557 4.412 22.239 1.00 0.00 C ATOM 696 C ALA A 47 19.560 3.255 22.412 1.00 0.00 C ATOM 697 O ALA A 47 20.458 3.331 23.261 1.00 0.00 O ATOM 698 CB ALA A 47 17.192 4.096 22.864 1.00 0.00 C ATOM 0 H ALA A 47 17.379 4.674 20.527 1.00 0.00 H new ATOM 0 HA ALA A 47 18.999 5.264 22.756 1.00 0.00 H new ATOM 0 HB1 ALA A 47 17.323 3.848 23.917 1.00 0.00 H new ATOM 0 HB2 ALA A 47 16.541 4.965 22.774 1.00 0.00 H new ATOM 0 HB3 ALA A 47 16.742 3.250 22.345 1.00 0.00 H new ATOM 704 N PHE A 48 19.446 2.213 21.582 1.00 0.00 N ATOM 705 CA PHE A 48 20.330 1.049 21.596 1.00 0.00 C ATOM 706 C PHE A 48 21.782 1.420 21.230 1.00 0.00 C ATOM 707 O PHE A 48 22.695 1.096 21.988 1.00 0.00 O ATOM 708 CB PHE A 48 19.742 -0.033 20.672 1.00 0.00 C ATOM 709 CG PHE A 48 20.527 -1.336 20.556 1.00 0.00 C ATOM 710 CD1 PHE A 48 21.229 -1.872 21.656 1.00 0.00 C ATOM 711 CD2 PHE A 48 20.507 -2.048 19.340 1.00 0.00 C ATOM 712 CE1 PHE A 48 21.932 -3.083 21.532 1.00 0.00 C ATOM 713 CE2 PHE A 48 21.203 -3.264 19.217 1.00 0.00 C ATOM 714 CZ PHE A 48 21.923 -3.785 20.311 1.00 0.00 C ATOM 0 H PHE A 48 18.720 2.157 20.868 1.00 0.00 H new ATOM 0 HA PHE A 48 20.384 0.650 22.609 1.00 0.00 H new ATOM 0 HB2 PHE A 48 18.738 -0.271 21.023 1.00 0.00 H new ATOM 0 HB3 PHE A 48 19.638 0.392 19.674 1.00 0.00 H new ATOM 0 HD1 PHE A 48 21.226 -1.348 22.600 1.00 0.00 H new ATOM 0 HD2 PHE A 48 19.954 -1.658 18.498 1.00 0.00 H new ATOM 0 HE1 PHE A 48 22.480 -3.476 22.375 1.00 0.00 H new ATOM 0 HE2 PHE A 48 21.186 -3.801 18.280 1.00 0.00 H new ATOM 0 HZ PHE A 48 22.463 -4.715 20.214 1.00 0.00 H new ATOM 724 N CYS A 49 22.018 2.115 20.106 1.00 0.00 N ATOM 725 CA CYS A 49 23.380 2.445 19.653 1.00 0.00 C ATOM 726 C CYS A 49 24.073 3.535 20.507 1.00 0.00 C ATOM 727 O CYS A 49 25.298 3.492 20.682 1.00 0.00 O ATOM 728 CB CYS A 49 23.359 2.760 18.145 1.00 0.00 C ATOM 729 SG CYS A 49 22.583 4.363 17.792 1.00 0.00 S ATOM 0 H CYS A 49 21.281 2.461 19.492 1.00 0.00 H new ATOM 0 HA CYS A 49 24.009 1.568 19.806 1.00 0.00 H new ATOM 0 HB2 CYS A 49 24.379 2.759 17.761 1.00 0.00 H new ATOM 0 HB3 CYS A 49 22.819 1.973 17.618 1.00 0.00 H new ATOM 0 HG CYS A 49 21.810 4.698 18.782 1.00 0.00 H new ATOM 735 N THR A 50 23.310 4.464 21.105 1.00 0.00 N ATOM 736 CA THR A 50 23.836 5.479 22.040 1.00 0.00 C ATOM 737 C THR A 50 24.171 4.867 23.392 1.00 0.00 C ATOM 738 O THR A 50 25.256 5.134 23.901 1.00 0.00 O ATOM 739 CB THR A 50 22.857 6.660 22.169 1.00 0.00 C ATOM 740 OG1 THR A 50 22.768 7.314 20.920 1.00 0.00 O ATOM 741 CG2 THR A 50 23.321 7.701 23.190 1.00 0.00 C ATOM 0 H THR A 50 22.304 4.535 20.954 1.00 0.00 H new ATOM 0 HA THR A 50 24.768 5.868 21.630 1.00 0.00 H new ATOM 0 HB THR A 50 21.902 6.250 22.497 1.00 0.00 H new ATOM 0 HG1 THR A 50 22.064 6.896 20.382 1.00 0.00 H new ATOM 0 HG21 THR A 50 22.593 8.511 23.240 1.00 0.00 H new ATOM 0 HG22 THR A 50 23.412 7.234 24.171 1.00 0.00 H new ATOM 0 HG23 THR A 50 24.289 8.101 22.888 1.00 0.00 H new ATOM 749 N SER A 51 23.301 4.046 23.982 1.00 0.00 N ATOM 750 CA SER A 51 23.520 3.531 25.352 1.00 0.00 C ATOM 751 C SER A 51 24.710 2.565 25.486 1.00 0.00 C ATOM 752 O SER A 51 25.315 2.488 26.563 1.00 0.00 O ATOM 753 CB SER A 51 22.247 2.880 25.921 1.00 0.00 C ATOM 754 OG SER A 51 21.822 1.749 25.175 1.00 0.00 O ATOM 0 H SER A 51 22.440 3.720 23.543 1.00 0.00 H new ATOM 0 HA SER A 51 23.773 4.413 25.940 1.00 0.00 H new ATOM 0 HB2 SER A 51 22.429 2.580 26.953 1.00 0.00 H new ATOM 0 HB3 SER A 51 21.445 3.618 25.940 1.00 0.00 H new ATOM 0 HG SER A 51 21.293 2.045 24.405 1.00 0.00 H new ATOM 760 N THR A 52 25.103 1.877 24.400 1.00 0.00 N ATOM 761 CA THR A 52 26.317 1.039 24.334 1.00 0.00 C ATOM 762 C THR A 52 27.585 1.850 24.056 1.00 0.00 C ATOM 763 O THR A 52 28.675 1.357 24.326 1.00 0.00 O ATOM 764 CB THR A 52 26.168 -0.067 23.277 1.00 0.00 C ATOM 765 OG1 THR A 52 25.950 0.512 22.006 1.00 0.00 O ATOM 766 CG2 THR A 52 25.021 -1.028 23.608 1.00 0.00 C ATOM 0 H THR A 52 24.577 1.887 23.526 1.00 0.00 H new ATOM 0 HA THR A 52 26.425 0.587 25.320 1.00 0.00 H new ATOM 0 HB THR A 52 27.093 -0.643 23.272 1.00 0.00 H new ATOM 0 HG1 THR A 52 24.994 0.694 21.889 1.00 0.00 H new ATOM 0 HG21 THR A 52 24.953 -1.793 22.834 1.00 0.00 H new ATOM 0 HG22 THR A 52 25.210 -1.502 24.571 1.00 0.00 H new ATOM 0 HG23 THR A 52 24.084 -0.474 23.654 1.00 0.00 H new ATOM 774 N HIS A 53 27.448 3.066 23.523 1.00 0.00 N ATOM 775 CA HIS A 53 28.503 4.054 23.219 1.00 0.00 C ATOM 776 C HIS A 53 29.344 3.708 21.966 1.00 0.00 C ATOM 777 O HIS A 53 30.316 4.403 21.650 1.00 0.00 O ATOM 778 CB HIS A 53 29.391 4.355 24.450 1.00 0.00 C ATOM 779 CG HIS A 53 28.670 4.763 25.712 1.00 0.00 C ATOM 780 ND1 HIS A 53 27.383 5.249 25.833 1.00 0.00 N ATOM 781 CD2 HIS A 53 29.207 4.773 26.973 1.00 0.00 C ATOM 782 CE1 HIS A 53 27.157 5.532 27.127 1.00 0.00 C ATOM 783 NE2 HIS A 53 28.244 5.261 27.868 1.00 0.00 N ATOM 0 H HIS A 53 26.526 3.420 23.270 1.00 0.00 H new ATOM 0 HA HIS A 53 27.973 4.972 22.966 1.00 0.00 H new ATOM 0 HB2 HIS A 53 29.986 3.468 24.668 1.00 0.00 H new ATOM 0 HB3 HIS A 53 30.088 5.149 24.183 1.00 0.00 H new ATOM 0 HD1 HIS A 53 26.717 5.372 25.070 1.00 0.00 H new ATOM 0 HD2 HIS A 53 30.206 4.457 27.234 1.00 0.00 H new ATOM 0 HE1 HIS A 53 26.229 5.923 27.517 1.00 0.00 H new ATOM 791 N LYS A 54 29.000 2.645 21.229 1.00 0.00 N ATOM 792 CA LYS A 54 29.651 2.291 19.959 1.00 0.00 C ATOM 793 C LYS A 54 29.362 3.357 18.871 1.00 0.00 C ATOM 794 O LYS A 54 28.218 3.790 18.700 1.00 0.00 O ATOM 795 CB LYS A 54 29.167 0.892 19.514 1.00 0.00 C ATOM 796 CG LYS A 54 29.962 -0.307 20.062 1.00 0.00 C ATOM 797 CD LYS A 54 29.992 -0.473 21.594 1.00 0.00 C ATOM 798 CE LYS A 54 31.152 0.298 22.245 1.00 0.00 C ATOM 799 NZ LYS A 54 31.164 0.108 23.717 1.00 0.00 N ATOM 0 H LYS A 54 28.257 2.001 21.498 1.00 0.00 H new ATOM 0 HA LYS A 54 30.731 2.264 20.103 1.00 0.00 H new ATOM 0 HB2 LYS A 54 28.125 0.778 19.814 1.00 0.00 H new ATOM 0 HB3 LYS A 54 29.192 0.851 18.425 1.00 0.00 H new ATOM 0 HG2 LYS A 54 29.547 -1.217 19.629 1.00 0.00 H new ATOM 0 HG3 LYS A 54 30.990 -0.225 19.708 1.00 0.00 H new ATOM 0 HD2 LYS A 54 29.048 -0.125 22.013 1.00 0.00 H new ATOM 0 HD3 LYS A 54 30.079 -1.531 21.840 1.00 0.00 H new ATOM 0 HE2 LYS A 54 32.099 -0.041 21.824 1.00 0.00 H new ATOM 0 HE3 LYS A 54 31.062 1.359 22.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 31.996 0.584 24.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 30.299 0.515 24.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 31.206 -0.908 23.936 1.00 0.00 H new ATOM 813 N VAL A 55 30.387 3.754 18.111 1.00 0.00 N ATOM 814 CA VAL A 55 30.256 4.700 16.986 1.00 0.00 C ATOM 815 C VAL A 55 29.650 4.018 15.751 1.00 0.00 C ATOM 816 O VAL A 55 29.998 2.878 15.429 1.00 0.00 O ATOM 817 CB VAL A 55 31.597 5.400 16.650 1.00 0.00 C ATOM 818 CG1 VAL A 55 32.711 4.450 16.168 1.00 0.00 C ATOM 819 CG2 VAL A 55 31.426 6.537 15.627 1.00 0.00 C ATOM 0 H VAL A 55 31.342 3.428 18.256 1.00 0.00 H new ATOM 0 HA VAL A 55 29.566 5.481 17.305 1.00 0.00 H new ATOM 0 HB VAL A 55 31.916 5.814 17.606 1.00 0.00 H new ATOM 0 HG11 VAL A 55 33.613 5.025 15.956 1.00 0.00 H new ATOM 0 HG12 VAL A 55 32.923 3.715 16.944 1.00 0.00 H new ATOM 0 HG13 VAL A 55 32.386 3.938 15.263 1.00 0.00 H new ATOM 0 HG21 VAL A 55 32.395 6.995 15.426 1.00 0.00 H new ATOM 0 HG22 VAL A 55 31.016 6.134 14.701 1.00 0.00 H new ATOM 0 HG23 VAL A 55 30.746 7.288 16.028 1.00 0.00 H new ATOM 829 N GLY A 56 28.745 4.725 15.066 1.00 0.00 N ATOM 830 CA GLY A 56 28.158 4.282 13.799 1.00 0.00 C ATOM 831 C GLY A 56 27.194 3.096 13.932 1.00 0.00 C ATOM 832 O GLY A 56 26.698 2.788 15.016 1.00 0.00 O ATOM 0 H GLY A 56 28.396 5.631 15.380 1.00 0.00 H new ATOM 0 HA2 GLY A 56 27.626 5.119 13.346 1.00 0.00 H new ATOM 0 HA3 GLY A 56 28.962 4.007 13.116 1.00 0.00 H new ATOM 836 N LEU A 57 26.934 2.436 12.801 1.00 0.00 N ATOM 837 CA LEU A 57 26.076 1.248 12.678 1.00 0.00 C ATOM 838 C LEU A 57 26.732 0.203 11.754 1.00 0.00 C ATOM 839 O LEU A 57 27.351 0.553 10.748 1.00 0.00 O ATOM 840 CB LEU A 57 24.690 1.668 12.149 1.00 0.00 C ATOM 841 CG LEU A 57 23.712 2.102 13.265 1.00 0.00 C ATOM 842 CD1 LEU A 57 22.552 2.916 12.678 1.00 0.00 C ATOM 843 CD2 LEU A 57 23.146 0.889 14.007 1.00 0.00 C ATOM 0 H LEU A 57 27.331 2.724 11.907 1.00 0.00 H new ATOM 0 HA LEU A 57 25.950 0.789 13.658 1.00 0.00 H new ATOM 0 HB2 LEU A 57 24.812 2.490 11.444 1.00 0.00 H new ATOM 0 HB3 LEU A 57 24.253 0.836 11.596 1.00 0.00 H new ATOM 0 HG LEU A 57 24.272 2.718 13.968 1.00 0.00 H new ATOM 0 HD11 LEU A 57 21.874 3.213 13.478 1.00 0.00 H new ATOM 0 HD12 LEU A 57 22.944 3.806 12.186 1.00 0.00 H new ATOM 0 HD13 LEU A 57 22.012 2.308 11.952 1.00 0.00 H new ATOM 0 HD21 LEU A 57 22.462 1.226 14.786 1.00 0.00 H new ATOM 0 HD22 LEU A 57 22.611 0.250 13.305 1.00 0.00 H new ATOM 0 HD23 LEU A 57 23.962 0.326 14.460 1.00 0.00 H new ATOM 855 N THR A 58 26.565 -1.074 12.115 1.00 0.00 N ATOM 856 CA THR A 58 27.089 -2.266 11.421 1.00 0.00 C ATOM 857 C THR A 58 26.062 -3.384 11.492 1.00 0.00 C ATOM 858 O THR A 58 25.204 -3.390 12.375 1.00 0.00 O ATOM 859 CB THR A 58 28.415 -2.745 12.041 1.00 0.00 C ATOM 860 OG1 THR A 58 28.233 -2.990 13.418 1.00 0.00 O ATOM 861 CG2 THR A 58 29.550 -1.737 11.874 1.00 0.00 C ATOM 0 H THR A 58 26.030 -1.323 12.947 1.00 0.00 H new ATOM 0 HA THR A 58 27.281 -1.996 10.382 1.00 0.00 H new ATOM 0 HB THR A 58 28.697 -3.655 11.511 1.00 0.00 H new ATOM 0 HG1 THR A 58 29.077 -3.296 13.810 1.00 0.00 H new ATOM 0 HG21 THR A 58 30.457 -2.132 12.331 1.00 0.00 H new ATOM 0 HG22 THR A 58 29.726 -1.560 10.813 1.00 0.00 H new ATOM 0 HG23 THR A 58 29.278 -0.799 12.358 1.00 0.00 H new ATOM 869 N SER A 59 26.134 -4.342 10.569 1.00 0.00 N ATOM 870 CA SER A 59 25.113 -5.387 10.371 1.00 0.00 C ATOM 871 C SER A 59 24.768 -6.195 11.638 1.00 0.00 C ATOM 872 O SER A 59 23.622 -6.620 11.809 1.00 0.00 O ATOM 873 CB SER A 59 25.583 -6.356 9.274 1.00 0.00 C ATOM 874 OG SER A 59 25.960 -5.666 8.089 1.00 0.00 O ATOM 0 H SER A 59 26.918 -4.421 9.921 1.00 0.00 H new ATOM 0 HA SER A 59 24.201 -4.862 10.086 1.00 0.00 H new ATOM 0 HB2 SER A 59 26.428 -6.938 9.641 1.00 0.00 H new ATOM 0 HB3 SER A 59 24.785 -7.062 9.046 1.00 0.00 H new ATOM 0 HG SER A 59 26.255 -6.312 7.414 1.00 0.00 H new ATOM 880 N GLU A 60 25.728 -6.371 12.558 1.00 0.00 N ATOM 881 CA GLU A 60 25.522 -7.033 13.849 1.00 0.00 C ATOM 882 C GLU A 60 24.558 -6.250 14.765 1.00 0.00 C ATOM 883 O GLU A 60 23.735 -6.858 15.452 1.00 0.00 O ATOM 884 CB GLU A 60 26.885 -7.242 14.534 1.00 0.00 C ATOM 885 CG GLU A 60 26.791 -8.081 15.814 1.00 0.00 C ATOM 886 CD GLU A 60 28.187 -8.335 16.402 1.00 0.00 C ATOM 887 OE1 GLU A 60 28.660 -7.519 17.231 1.00 0.00 O ATOM 888 OE2 GLU A 60 28.824 -9.357 16.046 1.00 0.00 O ATOM 0 H GLU A 60 26.686 -6.050 12.420 1.00 0.00 H new ATOM 0 HA GLU A 60 25.052 -7.999 13.664 1.00 0.00 H new ATOM 0 HB2 GLU A 60 27.565 -7.730 13.836 1.00 0.00 H new ATOM 0 HB3 GLU A 60 27.317 -6.271 14.774 1.00 0.00 H new ATOM 0 HG2 GLU A 60 26.171 -7.566 16.547 1.00 0.00 H new ATOM 0 HG3 GLU A 60 26.304 -9.032 15.596 1.00 0.00 H new ATOM 895 N ILE A 61 24.619 -4.918 14.755 1.00 0.00 N ATOM 896 CA ILE A 61 23.754 -4.043 15.566 1.00 0.00 C ATOM 897 C ILE A 61 22.315 -4.087 15.031 1.00 0.00 C ATOM 898 O ILE A 61 21.377 -4.279 15.805 1.00 0.00 O ATOM 899 CB ILE A 61 24.327 -2.598 15.629 1.00 0.00 C ATOM 900 CG1 ILE A 61 25.752 -2.603 16.239 1.00 0.00 C ATOM 901 CG2 ILE A 61 23.397 -1.664 16.441 1.00 0.00 C ATOM 902 CD1 ILE A 61 26.471 -1.251 16.209 1.00 0.00 C ATOM 0 H ILE A 61 25.281 -4.402 14.175 1.00 0.00 H new ATOM 0 HA ILE A 61 23.732 -4.409 16.592 1.00 0.00 H new ATOM 0 HB ILE A 61 24.385 -2.216 14.610 1.00 0.00 H new ATOM 0 HG12 ILE A 61 25.687 -2.941 17.273 1.00 0.00 H new ATOM 0 HG13 ILE A 61 26.359 -3.333 15.703 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.823 -0.661 16.468 1.00 0.00 H new ATOM 0 HG22 ILE A 61 22.415 -1.629 15.969 1.00 0.00 H new ATOM 0 HG23 ILE A 61 23.298 -2.044 17.458 1.00 0.00 H new ATOM 0 HD11 ILE A 61 27.459 -1.354 16.657 1.00 0.00 H new ATOM 0 HD12 ILE A 61 26.574 -0.916 15.177 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.892 -0.519 16.772 1.00 0.00 H new ATOM 914 N LEU A 62 22.129 -3.990 13.708 1.00 0.00 N ATOM 915 CA LEU A 62 20.806 -4.093 13.083 1.00 0.00 C ATOM 916 C LEU A 62 20.196 -5.497 13.221 1.00 0.00 C ATOM 917 O LEU A 62 18.971 -5.618 13.303 1.00 0.00 O ATOM 918 CB LEU A 62 20.867 -3.699 11.597 1.00 0.00 C ATOM 919 CG LEU A 62 21.201 -2.240 11.226 1.00 0.00 C ATOM 920 CD1 LEU A 62 20.450 -1.242 12.115 1.00 0.00 C ATOM 921 CD2 LEU A 62 22.700 -1.934 11.262 1.00 0.00 C ATOM 0 H LEU A 62 22.889 -3.839 13.044 1.00 0.00 H new ATOM 0 HA LEU A 62 20.160 -3.396 13.617 1.00 0.00 H new ATOM 0 HB2 LEU A 62 21.607 -4.339 11.117 1.00 0.00 H new ATOM 0 HB3 LEU A 62 19.901 -3.939 11.152 1.00 0.00 H new ATOM 0 HG LEU A 62 20.867 -2.124 10.195 1.00 0.00 H new ATOM 0 HD11 LEU A 62 20.712 -0.225 11.822 1.00 0.00 H new ATOM 0 HD12 LEU A 62 19.376 -1.388 11.999 1.00 0.00 H new ATOM 0 HD13 LEU A 62 20.727 -1.403 13.157 1.00 0.00 H new ATOM 0 HD21 LEU A 62 22.865 -0.891 10.991 1.00 0.00 H new ATOM 0 HD22 LEU A 62 23.084 -2.113 12.266 1.00 0.00 H new ATOM 0 HD23 LEU A 62 23.220 -2.580 10.554 1.00 0.00 H new ATOM 933 N ASN A 63 21.016 -6.550 13.270 1.00 0.00 N ATOM 934 CA ASN A 63 20.551 -7.911 13.564 1.00 0.00 C ATOM 935 C ASN A 63 20.164 -8.086 15.043 1.00 0.00 C ATOM 936 O ASN A 63 19.125 -8.670 15.351 1.00 0.00 O ATOM 937 CB ASN A 63 21.626 -8.910 13.121 1.00 0.00 C ATOM 938 CG ASN A 63 21.102 -10.337 13.140 1.00 0.00 C ATOM 939 OD1 ASN A 63 20.354 -10.746 12.259 1.00 0.00 O ATOM 940 ND2 ASN A 63 21.446 -11.128 14.143 1.00 0.00 N ATOM 0 H ASN A 63 22.021 -6.485 13.107 1.00 0.00 H new ATOM 0 HA ASN A 63 19.637 -8.104 13.002 1.00 0.00 H new ATOM 0 HB2 ASN A 63 21.965 -8.659 12.116 1.00 0.00 H new ATOM 0 HB3 ASN A 63 22.492 -8.830 13.779 1.00 0.00 H new ATOM 0 HD21 ASN A 63 21.089 -12.082 14.186 1.00 0.00 H new ATOM 0 HD22 ASN A 63 22.069 -10.783 14.874 1.00 0.00 H new ATOM 947 N SER A 64 20.959 -7.541 15.970 1.00 0.00 N ATOM 948 CA SER A 64 20.664 -7.563 17.413 1.00 0.00 C ATOM 949 C SER A 64 19.389 -6.774 17.764 1.00 0.00 C ATOM 950 O SER A 64 18.635 -7.185 18.649 1.00 0.00 O ATOM 951 CB SER A 64 21.852 -7.010 18.220 1.00 0.00 C ATOM 952 OG SER A 64 23.018 -7.802 18.054 1.00 0.00 O ATOM 0 H SER A 64 21.833 -7.068 15.742 1.00 0.00 H new ATOM 0 HA SER A 64 20.494 -8.606 17.680 1.00 0.00 H new ATOM 0 HB2 SER A 64 22.060 -5.987 17.906 1.00 0.00 H new ATOM 0 HB3 SER A 64 21.587 -6.971 19.277 1.00 0.00 H new ATOM 0 HG SER A 64 23.421 -7.612 17.181 1.00 0.00 H new ATOM 958 N PHE A 65 19.096 -5.684 17.037 1.00 0.00 N ATOM 959 CA PHE A 65 17.916 -4.838 17.241 1.00 0.00 C ATOM 960 C PHE A 65 16.574 -5.603 17.209 1.00 0.00 C ATOM 961 O PHE A 65 15.628 -5.194 17.883 1.00 0.00 O ATOM 962 CB PHE A 65 17.944 -3.715 16.193 1.00 0.00 C ATOM 963 CG PHE A 65 16.727 -2.815 16.248 1.00 0.00 C ATOM 964 CD1 PHE A 65 16.594 -1.887 17.300 1.00 0.00 C ATOM 965 CD2 PHE A 65 15.704 -2.946 15.288 1.00 0.00 C ATOM 966 CE1 PHE A 65 15.443 -1.093 17.384 1.00 0.00 C ATOM 967 CE2 PHE A 65 14.552 -2.147 15.375 1.00 0.00 C ATOM 968 CZ PHE A 65 14.433 -1.205 16.414 1.00 0.00 C ATOM 0 H PHE A 65 19.690 -5.361 16.273 1.00 0.00 H new ATOM 0 HA PHE A 65 17.971 -4.429 18.250 1.00 0.00 H new ATOM 0 HB2 PHE A 65 18.840 -3.112 16.340 1.00 0.00 H new ATOM 0 HB3 PHE A 65 18.016 -4.157 15.199 1.00 0.00 H new ATOM 0 HD1 PHE A 65 17.376 -1.788 18.038 1.00 0.00 H new ATOM 0 HD2 PHE A 65 15.806 -3.661 14.485 1.00 0.00 H new ATOM 0 HE1 PHE A 65 15.332 -0.392 18.198 1.00 0.00 H new ATOM 0 HE2 PHE A 65 13.761 -2.255 14.648 1.00 0.00 H new ATOM 0 HZ PHE A 65 13.563 -0.567 16.466 1.00 0.00 H new ATOM 978 N GLU A 66 16.502 -6.733 16.494 1.00 0.00 N ATOM 979 CA GLU A 66 15.325 -7.617 16.485 1.00 0.00 C ATOM 980 C GLU A 66 14.971 -8.141 17.892 1.00 0.00 C ATOM 981 O GLU A 66 13.793 -8.276 18.224 1.00 0.00 O ATOM 982 CB GLU A 66 15.558 -8.799 15.536 1.00 0.00 C ATOM 983 CG GLU A 66 15.651 -8.368 14.068 1.00 0.00 C ATOM 984 CD GLU A 66 15.913 -9.542 13.107 1.00 0.00 C ATOM 985 OE1 GLU A 66 15.422 -10.671 13.343 1.00 0.00 O ATOM 986 OE2 GLU A 66 16.603 -9.330 12.084 1.00 0.00 O ATOM 0 H GLU A 66 17.263 -7.063 15.901 1.00 0.00 H new ATOM 0 HA GLU A 66 14.482 -7.021 16.135 1.00 0.00 H new ATOM 0 HB2 GLU A 66 16.477 -9.311 15.819 1.00 0.00 H new ATOM 0 HB3 GLU A 66 14.745 -9.517 15.649 1.00 0.00 H new ATOM 0 HG2 GLU A 66 14.723 -7.873 13.782 1.00 0.00 H new ATOM 0 HG3 GLU A 66 16.450 -7.634 13.961 1.00 0.00 H new ATOM 993 N HIS A 67 15.974 -8.379 18.745 1.00 0.00 N ATOM 994 CA HIS A 67 15.783 -8.768 20.146 1.00 0.00 C ATOM 995 C HIS A 67 15.465 -7.563 21.060 1.00 0.00 C ATOM 996 O HIS A 67 14.774 -7.705 22.075 1.00 0.00 O ATOM 997 CB HIS A 67 17.056 -9.502 20.601 1.00 0.00 C ATOM 998 CG HIS A 67 17.059 -9.885 22.059 1.00 0.00 C ATOM 999 ND1 HIS A 67 17.592 -9.144 23.094 1.00 0.00 N ATOM 1000 CD2 HIS A 67 16.553 -11.032 22.609 1.00 0.00 C ATOM 1001 CE1 HIS A 67 17.394 -9.826 24.237 1.00 0.00 C ATOM 1002 NE2 HIS A 67 16.767 -10.992 23.994 1.00 0.00 N ATOM 0 H HIS A 67 16.955 -8.306 18.477 1.00 0.00 H new ATOM 0 HA HIS A 67 14.915 -9.423 20.225 1.00 0.00 H new ATOM 0 HB2 HIS A 67 17.177 -10.403 20.000 1.00 0.00 H new ATOM 0 HB3 HIS A 67 17.919 -8.867 20.402 1.00 0.00 H new ATOM 0 HD1 HIS A 67 18.054 -8.239 23.008 1.00 0.00 H new ATOM 0 HD2 HIS A 67 16.071 -11.832 22.068 1.00 0.00 H new ATOM 0 HE1 HIS A 67 17.697 -9.484 25.216 1.00 0.00 H new ATOM 1010 N GLU A 68 15.954 -6.364 20.714 1.00 0.00 N ATOM 1011 CA GLU A 68 15.843 -5.170 21.561 1.00 0.00 C ATOM 1012 C GLU A 68 14.456 -4.500 21.504 1.00 0.00 C ATOM 1013 O GLU A 68 14.127 -3.738 22.418 1.00 0.00 O ATOM 1014 CB GLU A 68 16.938 -4.146 21.194 1.00 0.00 C ATOM 1015 CG GLU A 68 18.366 -4.686 21.344 1.00 0.00 C ATOM 1016 CD GLU A 68 18.619 -5.292 22.732 1.00 0.00 C ATOM 1017 OE1 GLU A 68 18.673 -4.530 23.728 1.00 0.00 O ATOM 1018 OE2 GLU A 68 18.728 -6.535 22.849 1.00 0.00 O ATOM 0 H GLU A 68 16.440 -6.195 19.833 1.00 0.00 H new ATOM 0 HA GLU A 68 15.981 -5.513 22.586 1.00 0.00 H new ATOM 0 HB2 GLU A 68 16.789 -3.822 20.164 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.825 -3.265 21.825 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.547 -5.443 20.581 1.00 0.00 H new ATOM 0 HG3 GLU A 68 19.077 -3.879 21.168 1.00 0.00 H new ATOM 1025 N PHE A 69 13.638 -4.799 20.485 1.00 0.00 N ATOM 1026 CA PHE A 69 12.323 -4.175 20.302 1.00 0.00 C ATOM 1027 C PHE A 69 11.289 -5.089 19.623 1.00 0.00 C ATOM 1028 O PHE A 69 10.162 -5.185 20.115 1.00 0.00 O ATOM 1029 CB PHE A 69 12.521 -2.862 19.517 1.00 0.00 C ATOM 1030 CG PHE A 69 11.268 -2.020 19.316 1.00 0.00 C ATOM 1031 CD1 PHE A 69 10.429 -1.709 20.407 1.00 0.00 C ATOM 1032 CD2 PHE A 69 10.964 -1.500 18.044 1.00 0.00 C ATOM 1033 CE1 PHE A 69 9.289 -0.905 20.217 1.00 0.00 C ATOM 1034 CE2 PHE A 69 9.826 -0.695 17.851 1.00 0.00 C ATOM 1035 CZ PHE A 69 8.995 -0.393 18.940 1.00 0.00 C ATOM 0 H PHE A 69 13.871 -5.482 19.764 1.00 0.00 H new ATOM 0 HA PHE A 69 11.902 -3.974 21.287 1.00 0.00 H new ATOM 0 HB2 PHE A 69 13.264 -2.257 20.037 1.00 0.00 H new ATOM 0 HB3 PHE A 69 12.935 -3.104 18.538 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.662 -2.089 21.391 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.611 -1.721 17.208 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.640 -0.681 21.051 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.593 -0.311 16.869 1.00 0.00 H new ATOM 0 HZ PHE A 69 8.127 0.234 18.798 1.00 0.00 H new ATOM 1045 N LEU A 70 11.626 -5.750 18.510 1.00 0.00 N ATOM 1046 CA LEU A 70 10.623 -6.429 17.673 1.00 0.00 C ATOM 1047 C LEU A 70 10.077 -7.723 18.289 1.00 0.00 C ATOM 1048 O LEU A 70 8.857 -7.912 18.302 1.00 0.00 O ATOM 1049 CB LEU A 70 11.167 -6.663 16.245 1.00 0.00 C ATOM 1050 CG LEU A 70 10.871 -5.533 15.237 1.00 0.00 C ATOM 1051 CD1 LEU A 70 9.357 -5.317 15.079 1.00 0.00 C ATOM 1052 CD2 LEU A 70 11.549 -4.219 15.633 1.00 0.00 C ATOM 0 H LEU A 70 12.583 -5.831 18.166 1.00 0.00 H new ATOM 0 HA LEU A 70 9.768 -5.755 17.614 1.00 0.00 H new ATOM 0 HB2 LEU A 70 12.246 -6.803 16.303 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.745 -7.591 15.860 1.00 0.00 H new ATOM 0 HG LEU A 70 11.285 -5.848 14.279 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.177 -4.515 14.363 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.894 -6.236 14.719 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.926 -5.047 16.043 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.314 -3.451 14.896 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.188 -3.904 16.612 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.629 -4.364 15.673 1.00 0.00 H new ATOM 1064 N SER A 71 10.929 -8.591 18.843 1.00 0.00 N ATOM 1065 CA SER A 71 10.471 -9.818 19.526 1.00 0.00 C ATOM 1066 C SER A 71 9.668 -9.545 20.817 1.00 0.00 C ATOM 1067 O SER A 71 8.837 -10.362 21.222 1.00 0.00 O ATOM 1068 CB SER A 71 11.650 -10.759 19.820 1.00 0.00 C ATOM 1069 OG SER A 71 12.540 -10.226 20.794 1.00 0.00 O ATOM 0 H SER A 71 11.942 -8.472 18.835 1.00 0.00 H new ATOM 0 HA SER A 71 9.786 -10.304 18.832 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.267 -11.719 20.168 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.198 -10.950 18.897 1.00 0.00 H new ATOM 0 HG SER A 71 13.272 -10.859 20.949 1.00 0.00 H new ATOM 1075 N LYS A 72 9.866 -8.374 21.437 1.00 0.00 N ATOM 1076 CA LYS A 72 9.091 -7.892 22.585 1.00 0.00 C ATOM 1077 C LYS A 72 7.688 -7.408 22.162 1.00 0.00 C ATOM 1078 O LYS A 72 6.707 -7.624 22.882 1.00 0.00 O ATOM 1079 CB LYS A 72 9.846 -6.734 23.271 1.00 0.00 C ATOM 1080 CG LYS A 72 11.260 -7.079 23.760 1.00 0.00 C ATOM 1081 CD LYS A 72 11.930 -5.812 24.302 1.00 0.00 C ATOM 1082 CE LYS A 72 13.357 -6.103 24.776 1.00 0.00 C ATOM 1083 NZ LYS A 72 14.077 -4.851 25.121 1.00 0.00 N ATOM 0 H LYS A 72 10.591 -7.718 21.144 1.00 0.00 H new ATOM 0 HA LYS A 72 8.968 -8.724 23.278 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.913 -5.900 22.572 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.258 -6.391 24.122 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.213 -7.841 24.538 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.849 -7.495 22.942 1.00 0.00 H new ATOM 0 HD2 LYS A 72 11.950 -5.047 23.526 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.343 -5.412 25.129 1.00 0.00 H new ATOM 0 HE2 LYS A 72 13.327 -6.759 25.646 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.901 -6.634 23.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 15.016 -5.084 25.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.185 -4.266 24.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 13.535 -4.324 25.835 1.00 0.00 H new ATOM 1097 N ARG A 73 7.594 -6.728 21.008 1.00 0.00 N ATOM 1098 CA ARG A 73 6.407 -5.974 20.569 1.00 0.00 C ATOM 1099 C ARG A 73 5.340 -6.845 19.888 1.00 0.00 C ATOM 1100 O ARG A 73 4.144 -6.596 20.076 1.00 0.00 O ATOM 1101 CB ARG A 73 6.873 -4.845 19.632 1.00 0.00 C ATOM 1102 CG ARG A 73 5.740 -3.872 19.264 1.00 0.00 C ATOM 1103 CD ARG A 73 6.286 -2.666 18.490 1.00 0.00 C ATOM 1104 NE ARG A 73 5.233 -1.658 18.247 1.00 0.00 N ATOM 1105 CZ ARG A 73 4.802 -0.728 19.093 1.00 0.00 C ATOM 1106 NH1 ARG A 73 5.267 -0.616 20.321 1.00 0.00 N ATOM 1107 NH2 ARG A 73 3.881 0.127 18.701 1.00 0.00 N ATOM 0 H ARG A 73 8.361 -6.686 20.337 1.00 0.00 H new ATOM 0 HA ARG A 73 5.920 -5.568 21.456 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.680 -4.291 20.111 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.282 -5.281 18.721 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.993 -4.388 18.661 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.239 -3.531 20.170 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.103 -2.212 19.050 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.699 -3.000 17.538 1.00 0.00 H new ATOM 0 HE ARG A 73 4.788 -1.678 17.329 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.986 -1.258 20.655 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.908 0.113 20.938 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.504 0.072 17.755 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.544 0.844 19.344 1.00 0.00 H new ATOM 1121 N LEU A 74 5.734 -7.847 19.087 1.00 0.00 N ATOM 1122 CA LEU A 74 4.810 -8.633 18.253 1.00 0.00 C ATOM 1123 C LEU A 74 3.887 -9.513 19.116 1.00 0.00 C ATOM 1124 O LEU A 74 4.348 -10.392 19.839 1.00 0.00 O ATOM 1125 CB LEU A 74 5.622 -9.461 17.233 1.00 0.00 C ATOM 1126 CG LEU A 74 4.756 -10.241 16.216 1.00 0.00 C ATOM 1127 CD1 LEU A 74 3.929 -9.296 15.328 1.00 0.00 C ATOM 1128 CD2 LEU A 74 5.639 -11.130 15.328 1.00 0.00 C ATOM 0 H LEU A 74 6.708 -8.137 18.999 1.00 0.00 H new ATOM 0 HA LEU A 74 4.156 -7.956 17.703 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.289 -8.793 16.688 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.251 -10.167 17.774 1.00 0.00 H new ATOM 0 HG LEU A 74 4.068 -10.863 16.790 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.335 -9.882 14.627 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.267 -8.696 15.953 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.599 -8.638 14.774 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.013 -11.671 14.619 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.350 -10.509 14.784 1.00 0.00 H new ATOM 0 HD23 LEU A 74 6.181 -11.842 15.950 1.00 0.00 H new ATOM 1140 N SER A 75 2.574 -9.300 19.013 1.00 0.00 N ATOM 1141 CA SER A 75 1.552 -10.047 19.772 1.00 0.00 C ATOM 1142 C SER A 75 1.073 -11.327 19.067 1.00 0.00 C ATOM 1143 O SER A 75 0.414 -12.175 19.675 1.00 0.00 O ATOM 1144 CB SER A 75 0.341 -9.144 20.058 1.00 0.00 C ATOM 1145 OG SER A 75 0.713 -7.967 20.761 1.00 0.00 O ATOM 0 H SER A 75 2.178 -8.594 18.392 1.00 0.00 H new ATOM 0 HA SER A 75 2.032 -10.355 20.701 1.00 0.00 H new ATOM 0 HB2 SER A 75 -0.137 -8.870 19.118 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.395 -9.698 20.641 1.00 0.00 H new ATOM 0 HG SER A 75 -0.082 -7.418 20.923 1.00 0.00 H new ATOM 1151 N LYS A 76 1.388 -11.486 17.778 1.00 0.00 N ATOM 1152 CA LYS A 76 0.973 -12.623 16.946 1.00 0.00 C ATOM 1153 C LYS A 76 1.907 -13.835 17.121 1.00 0.00 C ATOM 1154 O LYS A 76 3.133 -13.703 17.033 1.00 0.00 O ATOM 1155 CB LYS A 76 0.910 -12.191 15.471 1.00 0.00 C ATOM 1156 CG LYS A 76 -0.056 -11.036 15.153 1.00 0.00 C ATOM 1157 CD LYS A 76 -1.523 -11.352 15.496 1.00 0.00 C ATOM 1158 CE LYS A 76 -2.475 -10.226 15.078 1.00 0.00 C ATOM 1159 NZ LYS A 76 -2.660 -10.131 13.604 1.00 0.00 N ATOM 0 H LYS A 76 1.955 -10.808 17.268 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.019 -12.936 17.272 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.911 -11.900 15.154 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.624 -13.055 14.871 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.255 -10.150 15.706 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.017 -10.793 14.093 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.818 -12.277 15.000 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.614 -11.522 16.569 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.445 -10.385 15.550 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.091 -9.277 15.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.313 -9.352 13.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.742 -9.950 13.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.054 -11.024 13.245 1.00 0.00 H new ATOM 1173 N ALA A 77 1.333 -15.025 17.304 1.00 0.00 N ATOM 1174 CA ALA A 77 2.033 -16.311 17.386 1.00 0.00 C ATOM 1175 C ALA A 77 2.306 -16.910 15.980 1.00 0.00 C ATOM 1176 O ALA A 77 1.985 -18.072 15.703 1.00 0.00 O ATOM 1177 CB ALA A 77 1.203 -17.216 18.306 1.00 0.00 C ATOM 0 H ALA A 77 0.323 -15.125 17.404 1.00 0.00 H new ATOM 0 HA ALA A 77 3.029 -16.194 17.814 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.689 -18.187 18.396 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.123 -16.758 19.292 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.206 -17.347 17.885 1.00 0.00 H new ATOM 1183 N ARG A 78 2.844 -16.082 15.074 1.00 0.00 N ATOM 1184 CA ARG A 78 3.081 -16.387 13.652 1.00 0.00 C ATOM 1185 C ARG A 78 4.182 -17.438 13.438 1.00 0.00 C ATOM 1186 O ARG A 78 3.960 -18.386 12.656 1.00 0.00 O ATOM 1187 CB ARG A 78 3.384 -15.068 12.924 1.00 0.00 C ATOM 1188 CG ARG A 78 3.407 -15.214 11.392 1.00 0.00 C ATOM 1189 CD ARG A 78 3.651 -13.851 10.728 1.00 0.00 C ATOM 1190 NE ARG A 78 3.645 -13.957 9.263 1.00 0.00 N ATOM 1191 CZ ARG A 78 3.747 -12.960 8.404 1.00 0.00 C ATOM 1192 NH1 ARG A 78 3.865 -11.723 8.792 1.00 0.00 N ATOM 1193 NH2 ARG A 78 3.745 -13.186 7.124 1.00 0.00 N ATOM 1194 OXT ARG A 78 5.276 -17.300 14.038 1.00 0.00 O ATOM 0 H ARG A 78 3.140 -15.138 15.321 1.00 0.00 H new ATOM 0 HA ARG A 78 2.184 -16.842 13.232 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.634 -14.327 13.201 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.348 -14.687 13.261 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.190 -15.914 11.099 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.461 -15.630 11.046 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.882 -13.147 11.046 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.608 -13.449 11.061 1.00 0.00 H new ATOM 0 HE ARG A 78 3.553 -14.894 8.871 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.881 -11.500 9.787 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.942 -10.977 8.101 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.664 -14.141 6.775 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.824 -12.408 6.469 1.00 0.00 H new TER 1208 ARG A 78