USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 471 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 TRP N :NH3+ 161:sc= 0.0576 (180deg=0.00289) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 172:sc= -0.69 (180deg=-0.823) USER MOD Single : A 8 THR OG1 : rot 73:sc= 0.059 USER MOD Single : A 10 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00825) USER MOD Single : A 11 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0234) USER MOD Single : A 16 HIS : no HD1:sc= -0.298 X(o=-0.3,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.0233 X(o=-0.023,f=-0.25) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -150:sc= 0 (180deg=-0.139) USER MOD Single : A 29 SER OG : rot -43:sc= 0.333 USER MOD Single : A 30 LYS NZ :NH3+ 170:sc= -0.0315 (180deg=-0.189) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0842 X(o=-0.084,f=-0.4) USER MOD Single : A 35 CYS SG : rot -60:sc= -3.38! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0.591 K(o=0.59,f=0) USER MOD Single : A 39 TYR OH : rot -140:sc= 0.375 USER MOD Single : A 53 GLN : amide:sc= -0.414 X(o=-0.41,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.872 K(o=-0.87,f=-5.6!) USER MOD Single : A 55 HIS : no HD1:sc=-0.00541 X(o=-0.0054,f=-0.46) USER MOD Single : A 56 LYS NZ :NH3+ 151:sc= -1.34 (180deg=-3.08!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 168:sc= -0.0177 (180deg=-0.207) USER MOD Single : A 61 LYS NZ :NH3+ 139:sc= -0.334 (180deg=-2.19!) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 0.950 2.053 -1.456 1.00 0.00 N ATOM 2 CA TRP A 1 2.221 1.434 -1.887 1.00 0.00 C ATOM 3 C TRP A 1 2.133 -0.104 -1.814 1.00 0.00 C ATOM 4 O TRP A 1 2.362 -0.702 -0.755 1.00 0.00 O ATOM 5 CB TRP A 1 3.412 1.964 -1.042 1.00 0.00 C ATOM 6 CG TRP A 1 3.705 3.439 -1.223 1.00 0.00 C ATOM 7 CD1 TRP A 1 3.354 4.467 -0.389 1.00 0.00 C ATOM 8 CD2 TRP A 1 4.423 4.043 -2.314 1.00 0.00 C ATOM 9 NE1 TRP A 1 3.818 5.661 -0.886 1.00 0.00 N ATOM 10 CE2 TRP A 1 4.475 5.429 -2.064 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.038 3.546 -3.466 1.00 0.00 C ATOM 12 CZ2 TRP A 1 5.108 6.318 -2.926 1.00 0.00 C ATOM 13 CZ3 TRP A 1 5.664 4.431 -4.326 1.00 0.00 C ATOM 14 CH2 TRP A 1 5.698 5.807 -4.049 1.00 0.00 C ATOM 0 H1 TRP A 1 1.117 3.048 -1.203 1.00 0.00 H new ATOM 0 H2 TRP A 1 0.259 2.004 -2.232 1.00 0.00 H new ATOM 0 H3 TRP A 1 0.579 1.543 -0.629 1.00 0.00 H new ATOM 0 HA TRP A 1 2.398 1.713 -2.926 1.00 0.00 H new ATOM 0 HB2 TRP A 1 3.206 1.774 0.011 1.00 0.00 H new ATOM 0 HB3 TRP A 1 4.305 1.395 -1.300 1.00 0.00 H new ATOM 0 HD1 TRP A 1 2.793 4.355 0.527 1.00 0.00 H new ATOM 0 HE1 TRP A 1 3.693 6.573 -0.448 1.00 0.00 H new ATOM 0 HE3 TRP A 1 5.025 2.488 -3.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 5.133 7.377 -2.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 6.134 4.058 -5.224 1.00 0.00 H new ATOM 0 HH2 TRP A 1 6.199 6.474 -4.735 1.00 0.00 H new ATOM 25 N THR A 2 1.746 -0.727 -2.942 1.00 0.00 N ATOM 26 CA THR A 2 1.807 -2.191 -3.147 1.00 0.00 C ATOM 27 C THR A 2 3.162 -2.543 -3.822 1.00 0.00 C ATOM 28 O THR A 2 3.837 -1.643 -4.334 1.00 0.00 O ATOM 29 CB THR A 2 0.577 -2.645 -4.028 1.00 0.00 C ATOM 30 OG1 THR A 2 -0.642 -2.196 -3.409 1.00 0.00 O ATOM 31 CG2 THR A 2 0.488 -4.173 -4.239 1.00 0.00 C ATOM 0 H THR A 2 1.377 -0.224 -3.749 1.00 0.00 H new ATOM 0 HA THR A 2 1.749 -2.721 -2.196 1.00 0.00 H new ATOM 0 HB THR A 2 0.722 -2.196 -5.010 1.00 0.00 H new ATOM 0 HG1 THR A 2 -1.407 -2.474 -3.954 1.00 0.00 H new ATOM 0 HG21 THR A 2 -0.382 -4.405 -4.853 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.390 -4.524 -4.740 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.393 -4.669 -3.273 1.00 0.00 H new ATOM 39 N GLU A 3 3.545 -3.839 -3.815 1.00 0.00 N ATOM 40 CA GLU A 3 4.826 -4.349 -4.383 1.00 0.00 C ATOM 41 C GLU A 3 5.082 -3.880 -5.848 1.00 0.00 C ATOM 42 O GLU A 3 6.234 -3.800 -6.290 1.00 0.00 O ATOM 43 CB GLU A 3 4.831 -5.905 -4.313 1.00 0.00 C ATOM 44 CG GLU A 3 6.109 -6.595 -4.843 1.00 0.00 C ATOM 45 CD GLU A 3 5.986 -8.131 -4.891 1.00 0.00 C ATOM 46 OE1 GLU A 3 5.220 -8.644 -5.743 1.00 0.00 O ATOM 47 OE2 GLU A 3 6.647 -8.827 -4.091 1.00 0.00 O ATOM 0 H GLU A 3 2.968 -4.576 -3.410 1.00 0.00 H new ATOM 0 HA GLU A 3 5.635 -3.933 -3.782 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.682 -6.204 -3.276 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.977 -6.279 -4.878 1.00 0.00 H new ATOM 0 HG2 GLU A 3 6.329 -6.222 -5.843 1.00 0.00 H new ATOM 0 HG3 GLU A 3 6.952 -6.323 -4.209 1.00 0.00 H new ATOM 54 N GLU A 4 3.999 -3.572 -6.572 1.00 0.00 N ATOM 55 CA GLU A 4 4.043 -3.151 -7.984 1.00 0.00 C ATOM 56 C GLU A 4 4.804 -1.813 -8.145 1.00 0.00 C ATOM 57 O GLU A 4 5.806 -1.736 -8.873 1.00 0.00 O ATOM 58 CB GLU A 4 2.590 -3.047 -8.506 1.00 0.00 C ATOM 59 CG GLU A 4 1.760 -4.339 -8.316 1.00 0.00 C ATOM 60 CD GLU A 4 0.290 -4.197 -8.745 1.00 0.00 C ATOM 61 OE1 GLU A 4 0.040 -3.917 -9.938 1.00 0.00 O ATOM 62 OE2 GLU A 4 -0.615 -4.378 -7.902 1.00 0.00 O ATOM 0 H GLU A 4 3.053 -3.608 -6.192 1.00 0.00 H new ATOM 0 HA GLU A 4 4.588 -3.889 -8.574 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.088 -2.226 -7.993 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.613 -2.794 -9.566 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.221 -5.144 -8.889 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.797 -4.633 -7.267 1.00 0.00 H new ATOM 69 N GLU A 5 4.337 -0.778 -7.425 1.00 0.00 N ATOM 70 CA GLU A 5 4.990 0.556 -7.401 1.00 0.00 C ATOM 71 C GLU A 5 6.234 0.549 -6.487 1.00 0.00 C ATOM 72 O GLU A 5 7.174 1.318 -6.699 1.00 0.00 O ATOM 73 CB GLU A 5 3.992 1.680 -6.985 1.00 0.00 C ATOM 74 CG GLU A 5 3.187 1.428 -5.679 1.00 0.00 C ATOM 75 CD GLU A 5 1.764 0.880 -5.914 1.00 0.00 C ATOM 76 OE1 GLU A 5 1.621 -0.315 -6.235 1.00 0.00 O ATOM 77 OE2 GLU A 5 0.788 1.645 -5.783 1.00 0.00 O ATOM 0 H GLU A 5 3.501 -0.835 -6.844 1.00 0.00 H new ATOM 0 HA GLU A 5 5.320 0.775 -8.417 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.550 2.610 -6.871 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.285 1.831 -7.801 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.738 0.724 -5.055 1.00 0.00 H new ATOM 0 HG3 GLU A 5 3.118 2.362 -5.121 1.00 0.00 H new ATOM 84 N MET A 6 6.202 -0.315 -5.453 1.00 0.00 N ATOM 85 CA MET A 6 7.333 -0.522 -4.505 1.00 0.00 C ATOM 86 C MET A 6 8.567 -1.078 -5.250 1.00 0.00 C ATOM 87 O MET A 6 9.704 -0.773 -4.894 1.00 0.00 O ATOM 88 CB MET A 6 6.900 -1.517 -3.387 1.00 0.00 C ATOM 89 CG MET A 6 7.909 -1.759 -2.241 1.00 0.00 C ATOM 90 SD MET A 6 7.822 -0.524 -0.922 1.00 0.00 S ATOM 91 CE MET A 6 6.159 -0.781 -0.287 1.00 0.00 C ATOM 0 H MET A 6 5.390 -0.896 -5.244 1.00 0.00 H new ATOM 0 HA MET A 6 7.598 0.436 -4.058 1.00 0.00 H new ATOM 0 HB2 MET A 6 5.970 -1.153 -2.950 1.00 0.00 H new ATOM 0 HB3 MET A 6 6.679 -2.477 -3.853 1.00 0.00 H new ATOM 0 HG2 MET A 6 7.731 -2.746 -1.815 1.00 0.00 H new ATOM 0 HG3 MET A 6 8.918 -1.767 -2.653 1.00 0.00 H new ATOM 0 HE1 MET A 6 6.019 -0.189 0.618 1.00 0.00 H new ATOM 0 HE2 MET A 6 5.431 -0.473 -1.038 1.00 0.00 H new ATOM 0 HE3 MET A 6 6.017 -1.837 -0.055 1.00 0.00 H new ATOM 101 N GLY A 7 8.300 -1.898 -6.291 1.00 0.00 N ATOM 102 CA GLY A 7 9.339 -2.517 -7.117 1.00 0.00 C ATOM 103 C GLY A 7 9.944 -1.554 -8.136 1.00 0.00 C ATOM 104 O GLY A 7 11.119 -1.683 -8.506 1.00 0.00 O ATOM 0 H GLY A 7 7.352 -2.144 -6.576 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.130 -2.898 -6.471 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.916 -3.374 -7.642 1.00 0.00 H new ATOM 108 N THR A 8 9.128 -0.600 -8.604 1.00 0.00 N ATOM 109 CA THR A 8 9.577 0.485 -9.492 1.00 0.00 C ATOM 110 C THR A 8 10.391 1.521 -8.687 1.00 0.00 C ATOM 111 O THR A 8 11.355 2.100 -9.198 1.00 0.00 O ATOM 112 CB THR A 8 8.354 1.162 -10.187 1.00 0.00 C ATOM 113 OG1 THR A 8 7.564 0.145 -10.834 1.00 0.00 O ATOM 114 CG2 THR A 8 8.763 2.229 -11.228 1.00 0.00 C ATOM 0 H THR A 8 8.134 -0.557 -8.378 1.00 0.00 H new ATOM 0 HA THR A 8 10.218 0.065 -10.268 1.00 0.00 H new ATOM 0 HB THR A 8 7.783 1.675 -9.413 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.086 -0.378 -10.157 1.00 0.00 H new ATOM 0 HG21 THR A 8 7.869 2.662 -11.676 1.00 0.00 H new ATOM 0 HG22 THR A 8 9.340 3.013 -10.738 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.369 1.765 -12.006 1.00 0.00 H new ATOM 122 N ALA A 9 9.988 1.728 -7.416 1.00 0.00 N ATOM 123 CA ALA A 9 10.713 2.597 -6.465 1.00 0.00 C ATOM 124 C ALA A 9 12.048 1.949 -6.070 1.00 0.00 C ATOM 125 O ALA A 9 13.061 2.627 -5.925 1.00 0.00 O ATOM 126 CB ALA A 9 9.841 2.869 -5.230 1.00 0.00 C ATOM 0 H ALA A 9 9.152 1.298 -7.020 1.00 0.00 H new ATOM 0 HA ALA A 9 10.929 3.552 -6.944 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.384 3.510 -4.535 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.920 3.365 -5.537 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.600 1.926 -4.740 1.00 0.00 H new ATOM 132 N LYS A 10 12.008 0.611 -5.935 1.00 0.00 N ATOM 133 CA LYS A 10 13.190 -0.243 -5.715 1.00 0.00 C ATOM 134 C LYS A 10 14.178 -0.066 -6.878 1.00 0.00 C ATOM 135 O LYS A 10 15.374 0.120 -6.659 1.00 0.00 O ATOM 136 CB LYS A 10 12.715 -1.733 -5.560 1.00 0.00 C ATOM 137 CG LYS A 10 13.812 -2.839 -5.487 1.00 0.00 C ATOM 138 CD LYS A 10 14.347 -3.301 -6.875 1.00 0.00 C ATOM 139 CE LYS A 10 15.449 -4.364 -6.769 1.00 0.00 C ATOM 140 NZ LYS A 10 14.916 -5.647 -6.254 1.00 0.00 N ATOM 0 H LYS A 10 11.136 0.083 -5.977 1.00 0.00 H new ATOM 0 HA LYS A 10 13.711 0.044 -4.802 1.00 0.00 H new ATOM 0 HB2 LYS A 10 12.110 -1.800 -4.656 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.060 -1.965 -6.399 1.00 0.00 H new ATOM 0 HG2 LYS A 10 14.647 -2.468 -4.894 1.00 0.00 H new ATOM 0 HG3 LYS A 10 13.406 -3.703 -4.961 1.00 0.00 H new ATOM 0 HD2 LYS A 10 13.520 -3.700 -7.463 1.00 0.00 H new ATOM 0 HD3 LYS A 10 14.734 -2.437 -7.415 1.00 0.00 H new ATOM 0 HE2 LYS A 10 15.899 -4.523 -7.749 1.00 0.00 H new ATOM 0 HE3 LYS A 10 16.240 -4.006 -6.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 15.679 -6.354 -6.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 14.539 -5.506 -5.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 14.155 -5.983 -6.879 1.00 0.00 H new ATOM 154 N LYS A 11 13.633 -0.138 -8.108 1.00 0.00 N ATOM 155 CA LYS A 11 14.403 -0.023 -9.360 1.00 0.00 C ATOM 156 C LYS A 11 15.031 1.381 -9.481 1.00 0.00 C ATOM 157 O LYS A 11 16.155 1.523 -9.973 1.00 0.00 O ATOM 158 CB LYS A 11 13.487 -0.327 -10.585 1.00 0.00 C ATOM 159 CG LYS A 11 14.201 -0.251 -11.956 1.00 0.00 C ATOM 160 CD LYS A 11 15.362 -1.271 -12.092 1.00 0.00 C ATOM 161 CE LYS A 11 16.254 -0.992 -13.316 1.00 0.00 C ATOM 162 NZ LYS A 11 15.482 -0.975 -14.586 1.00 0.00 N ATOM 0 H LYS A 11 12.634 -0.279 -8.261 1.00 0.00 H new ATOM 0 HA LYS A 11 15.210 -0.755 -9.343 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.062 -1.324 -10.466 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.655 0.377 -10.584 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.474 -0.429 -12.748 1.00 0.00 H new ATOM 0 HG3 LYS A 11 14.591 0.756 -12.101 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.972 -1.245 -11.189 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.950 -2.277 -12.169 1.00 0.00 H new ATOM 0 HE2 LYS A 11 16.756 -0.033 -13.186 1.00 0.00 H new ATOM 0 HE3 LYS A 11 17.032 -1.753 -13.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.134 -0.851 -15.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.969 -1.873 -14.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.802 -0.188 -14.568 1.00 0.00 H new ATOM 176 N GLY A 12 14.288 2.398 -9.009 1.00 0.00 N ATOM 177 CA GLY A 12 14.785 3.766 -8.955 1.00 0.00 C ATOM 178 C GLY A 12 15.962 3.915 -8.000 1.00 0.00 C ATOM 179 O GLY A 12 16.973 4.523 -8.332 1.00 0.00 O ATOM 0 H GLY A 12 13.336 2.287 -8.660 1.00 0.00 H new ATOM 0 HA2 GLY A 12 15.088 4.080 -9.954 1.00 0.00 H new ATOM 0 HA3 GLY A 12 13.980 4.431 -8.643 1.00 0.00 H new ATOM 183 N LEU A 13 15.814 3.335 -6.805 1.00 0.00 N ATOM 184 CA LEU A 13 16.846 3.353 -5.753 1.00 0.00 C ATOM 185 C LEU A 13 18.052 2.453 -6.144 1.00 0.00 C ATOM 186 O LEU A 13 19.170 2.654 -5.664 1.00 0.00 O ATOM 187 CB LEU A 13 16.200 2.936 -4.404 1.00 0.00 C ATOM 188 CG LEU A 13 15.119 3.935 -3.838 1.00 0.00 C ATOM 189 CD1 LEU A 13 14.213 3.284 -2.772 1.00 0.00 C ATOM 190 CD2 LEU A 13 15.782 5.210 -3.278 1.00 0.00 C ATOM 0 H LEU A 13 14.968 2.834 -6.534 1.00 0.00 H new ATOM 0 HA LEU A 13 17.245 4.361 -5.640 1.00 0.00 H new ATOM 0 HB2 LEU A 13 15.736 1.957 -4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 13 16.990 2.822 -3.661 1.00 0.00 H new ATOM 0 HG LEU A 13 14.481 4.211 -4.677 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.487 4.015 -2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.688 2.435 -3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.823 2.941 -1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 13 15.014 5.881 -2.894 1.00 0.00 H new ATOM 0 HD22 LEU A 13 16.464 4.941 -2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 13 16.337 5.710 -4.072 1.00 0.00 H new ATOM 202 N LEU A 14 17.801 1.460 -7.024 1.00 0.00 N ATOM 203 CA LEU A 14 18.846 0.570 -7.580 1.00 0.00 C ATOM 204 C LEU A 14 19.658 1.282 -8.679 1.00 0.00 C ATOM 205 O LEU A 14 20.866 1.082 -8.788 1.00 0.00 O ATOM 206 CB LEU A 14 18.204 -0.741 -8.125 1.00 0.00 C ATOM 207 CG LEU A 14 19.176 -1.806 -8.735 1.00 0.00 C ATOM 208 CD1 LEU A 14 20.260 -2.252 -7.723 1.00 0.00 C ATOM 209 CD2 LEU A 14 18.387 -3.018 -9.276 1.00 0.00 C ATOM 0 H LEU A 14 16.865 1.251 -7.371 1.00 0.00 H new ATOM 0 HA LEU A 14 19.536 0.311 -6.777 1.00 0.00 H new ATOM 0 HB2 LEU A 14 17.652 -1.212 -7.311 1.00 0.00 H new ATOM 0 HB3 LEU A 14 17.476 -0.470 -8.889 1.00 0.00 H new ATOM 0 HG LEU A 14 19.696 -1.333 -9.569 1.00 0.00 H new ATOM 0 HD11 LEU A 14 20.911 -2.991 -8.190 1.00 0.00 H new ATOM 0 HD12 LEU A 14 20.851 -1.388 -7.419 1.00 0.00 H new ATOM 0 HD13 LEU A 14 19.782 -2.691 -6.848 1.00 0.00 H new ATOM 0 HD21 LEU A 14 19.081 -3.746 -9.696 1.00 0.00 H new ATOM 0 HD22 LEU A 14 17.825 -3.479 -8.463 1.00 0.00 H new ATOM 0 HD23 LEU A 14 17.697 -2.686 -10.052 1.00 0.00 H new ATOM 221 N GLU A 15 18.983 2.103 -9.498 1.00 0.00 N ATOM 222 CA GLU A 15 19.615 2.789 -10.645 1.00 0.00 C ATOM 223 C GLU A 15 20.190 4.151 -10.214 1.00 0.00 C ATOM 224 O GLU A 15 21.407 4.375 -10.253 1.00 0.00 O ATOM 225 CB GLU A 15 18.570 2.985 -11.780 1.00 0.00 C ATOM 226 CG GLU A 15 19.116 3.676 -13.047 1.00 0.00 C ATOM 227 CD GLU A 15 18.019 4.013 -14.069 1.00 0.00 C ATOM 228 OE1 GLU A 15 17.590 3.114 -14.824 1.00 0.00 O ATOM 229 OE2 GLU A 15 17.582 5.182 -14.130 1.00 0.00 O ATOM 0 H GLU A 15 17.991 2.312 -9.389 1.00 0.00 H new ATOM 0 HA GLU A 15 20.435 2.172 -11.013 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.169 2.010 -12.058 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.738 3.573 -11.392 1.00 0.00 H new ATOM 0 HG2 GLU A 15 19.631 4.593 -12.760 1.00 0.00 H new ATOM 0 HG3 GLU A 15 19.856 3.028 -13.517 1.00 0.00 H new ATOM 236 N HIS A 16 19.286 5.047 -9.787 1.00 0.00 N ATOM 237 CA HIS A 16 19.622 6.433 -9.404 1.00 0.00 C ATOM 238 C HIS A 16 20.349 6.464 -8.051 1.00 0.00 C ATOM 239 O HIS A 16 21.290 7.239 -7.847 1.00 0.00 O ATOM 240 CB HIS A 16 18.333 7.300 -9.315 1.00 0.00 C ATOM 241 CG HIS A 16 17.471 7.325 -10.559 1.00 0.00 C ATOM 242 ND1 HIS A 16 17.705 8.168 -11.623 1.00 0.00 N ATOM 243 CD2 HIS A 16 16.351 6.624 -10.888 1.00 0.00 C ATOM 244 CE1 HIS A 16 16.770 7.999 -12.540 1.00 0.00 C ATOM 245 NE2 HIS A 16 15.940 7.065 -12.119 1.00 0.00 N ATOM 0 H HIS A 16 18.293 4.831 -9.696 1.00 0.00 H new ATOM 0 HA HIS A 16 20.280 6.841 -10.171 1.00 0.00 H new ATOM 0 HB2 HIS A 16 17.729 6.936 -8.484 1.00 0.00 H new ATOM 0 HB3 HIS A 16 18.622 8.323 -9.075 1.00 0.00 H new ATOM 0 HD2 HIS A 16 15.875 5.862 -10.290 1.00 0.00 H new ATOM 0 HE1 HIS A 16 16.698 8.534 -13.475 1.00 0.00 H new ATOM 0 HE2 HIS A 16 15.124 6.725 -12.627 1.00 0.00 H new ATOM 254 N GLY A 17 19.898 5.596 -7.138 1.00 0.00 N ATOM 255 CA GLY A 17 20.355 5.602 -5.746 1.00 0.00 C ATOM 256 C GLY A 17 19.323 6.243 -4.832 1.00 0.00 C ATOM 257 O GLY A 17 18.162 6.417 -5.230 1.00 0.00 O ATOM 0 H GLY A 17 19.209 4.873 -7.343 1.00 0.00 H new ATOM 0 HA2 GLY A 17 20.549 4.580 -5.420 1.00 0.00 H new ATOM 0 HA3 GLY A 17 21.297 6.145 -5.672 1.00 0.00 H new ATOM 261 N ARG A 18 19.741 6.637 -3.613 1.00 0.00 N ATOM 262 CA ARG A 18 18.862 7.307 -2.615 1.00 0.00 C ATOM 263 C ARG A 18 18.671 8.812 -2.925 1.00 0.00 C ATOM 264 O ARG A 18 18.579 9.638 -2.011 1.00 0.00 O ATOM 265 CB ARG A 18 19.432 7.099 -1.177 1.00 0.00 C ATOM 266 CG ARG A 18 19.178 5.698 -0.571 1.00 0.00 C ATOM 267 CD ARG A 18 19.788 5.553 0.838 1.00 0.00 C ATOM 268 NE ARG A 18 19.385 4.301 1.515 1.00 0.00 N ATOM 269 CZ ARG A 18 20.035 3.736 2.550 1.00 0.00 C ATOM 270 NH1 ARG A 18 21.215 4.203 2.955 1.00 0.00 N ATOM 271 NH2 ARG A 18 19.520 2.679 3.158 1.00 0.00 N ATOM 0 H ARG A 18 20.698 6.503 -3.285 1.00 0.00 H new ATOM 0 HA ARG A 18 17.876 6.846 -2.675 1.00 0.00 H new ATOM 0 HB2 ARG A 18 20.507 7.280 -1.198 1.00 0.00 H new ATOM 0 HB3 ARG A 18 18.996 7.849 -0.517 1.00 0.00 H new ATOM 0 HG2 ARG A 18 18.105 5.515 -0.521 1.00 0.00 H new ATOM 0 HG3 ARG A 18 19.601 4.938 -1.228 1.00 0.00 H new ATOM 0 HD2 ARG A 18 20.875 5.585 0.763 1.00 0.00 H new ATOM 0 HD3 ARG A 18 19.485 6.404 1.449 1.00 0.00 H new ATOM 0 HE ARG A 18 18.549 3.829 1.171 1.00 0.00 H new ATOM 0 HH11 ARG A 18 21.639 5.000 2.479 1.00 0.00 H new ATOM 0 HH12 ARG A 18 21.695 3.764 3.741 1.00 0.00 H new ATOM 0 HH21 ARG A 18 18.630 2.292 2.842 1.00 0.00 H new ATOM 0 HH22 ARG A 18 20.013 2.251 3.942 1.00 0.00 H new ATOM 285 N ASN A 19 18.585 9.163 -4.222 1.00 0.00 N ATOM 286 CA ASN A 19 18.251 10.519 -4.672 1.00 0.00 C ATOM 287 C ASN A 19 16.733 10.702 -4.526 1.00 0.00 C ATOM 288 O ASN A 19 15.992 10.563 -5.494 1.00 0.00 O ATOM 289 CB ASN A 19 18.706 10.732 -6.150 1.00 0.00 C ATOM 290 CG ASN A 19 20.203 10.496 -6.378 1.00 0.00 C ATOM 291 OD1 ASN A 19 21.027 10.716 -5.488 1.00 0.00 O ATOM 292 ND2 ASN A 19 20.566 10.047 -7.574 1.00 0.00 N ATOM 0 H ASN A 19 18.747 8.508 -4.987 1.00 0.00 H new ATOM 0 HA ASN A 19 18.772 11.261 -4.067 1.00 0.00 H new ATOM 0 HB2 ASN A 19 18.140 10.060 -6.795 1.00 0.00 H new ATOM 0 HB3 ASN A 19 18.458 11.749 -6.453 1.00 0.00 H new ATOM 0 HD21 ASN A 19 21.551 9.875 -7.777 1.00 0.00 H new ATOM 0 HD22 ASN A 19 19.860 9.875 -8.290 1.00 0.00 H new ATOM 299 N TRP A 20 16.292 10.968 -3.280 1.00 0.00 N ATOM 300 CA TRP A 20 14.864 10.934 -2.876 1.00 0.00 C ATOM 301 C TRP A 20 13.992 11.862 -3.738 1.00 0.00 C ATOM 302 O TRP A 20 12.839 11.550 -4.020 1.00 0.00 O ATOM 303 CB TRP A 20 14.719 11.326 -1.389 1.00 0.00 C ATOM 304 CG TRP A 20 15.562 10.510 -0.425 1.00 0.00 C ATOM 305 CD1 TRP A 20 16.645 10.947 0.292 1.00 0.00 C ATOM 306 CD2 TRP A 20 15.398 9.120 -0.080 1.00 0.00 C ATOM 307 NE1 TRP A 20 17.141 9.932 1.066 1.00 0.00 N ATOM 308 CE2 TRP A 20 16.401 8.802 0.853 1.00 0.00 C ATOM 309 CE3 TRP A 20 14.495 8.121 -0.461 1.00 0.00 C ATOM 310 CZ2 TRP A 20 16.530 7.534 1.408 1.00 0.00 C ATOM 311 CZ3 TRP A 20 14.630 6.857 0.085 1.00 0.00 C ATOM 312 CH2 TRP A 20 15.641 6.575 1.012 1.00 0.00 C ATOM 0 H TRP A 20 16.920 11.215 -2.515 1.00 0.00 H new ATOM 0 HA TRP A 20 14.515 9.913 -3.027 1.00 0.00 H new ATOM 0 HB2 TRP A 20 14.983 12.378 -1.279 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.671 11.229 -1.104 1.00 0.00 H new ATOM 0 HD1 TRP A 20 17.049 11.948 0.252 1.00 0.00 H new ATOM 0 HE1 TRP A 20 17.936 10.007 1.701 1.00 0.00 H new ATOM 0 HE3 TRP A 20 13.707 8.333 -1.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 17.306 7.315 2.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 13.945 6.075 -0.208 1.00 0.00 H new ATOM 0 HH2 TRP A 20 15.720 5.579 1.422 1.00 0.00 H new ATOM 323 N SER A 21 14.562 13.015 -4.121 1.00 0.00 N ATOM 324 CA SER A 21 13.914 13.978 -5.023 1.00 0.00 C ATOM 325 C SER A 21 13.662 13.354 -6.416 1.00 0.00 C ATOM 326 O SER A 21 12.578 13.507 -6.983 1.00 0.00 O ATOM 327 CB SER A 21 14.790 15.246 -5.122 1.00 0.00 C ATOM 328 OG SER A 21 16.121 14.928 -5.509 1.00 0.00 O ATOM 0 H SER A 21 15.489 13.306 -3.812 1.00 0.00 H new ATOM 0 HA SER A 21 12.940 14.252 -4.618 1.00 0.00 H new ATOM 0 HB2 SER A 21 14.354 15.936 -5.845 1.00 0.00 H new ATOM 0 HB3 SER A 21 14.802 15.758 -4.160 1.00 0.00 H new ATOM 0 HG SER A 21 16.651 15.751 -5.565 1.00 0.00 H new ATOM 334 N ALA A 22 14.662 12.623 -6.929 1.00 0.00 N ATOM 335 CA ALA A 22 14.583 11.961 -8.245 1.00 0.00 C ATOM 336 C ALA A 22 13.615 10.758 -8.215 1.00 0.00 C ATOM 337 O ALA A 22 12.903 10.511 -9.183 1.00 0.00 O ATOM 338 CB ALA A 22 15.982 11.531 -8.714 1.00 0.00 C ATOM 0 H ALA A 22 15.548 12.472 -6.447 1.00 0.00 H new ATOM 0 HA ALA A 22 14.185 12.681 -8.960 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.906 11.044 -9.686 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.624 12.408 -8.796 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.410 10.835 -7.992 1.00 0.00 H new ATOM 344 N ILE A 23 13.576 10.029 -7.086 1.00 0.00 N ATOM 345 CA ILE A 23 12.721 8.825 -6.945 1.00 0.00 C ATOM 346 C ILE A 23 11.254 9.248 -6.784 1.00 0.00 C ATOM 347 O ILE A 23 10.352 8.638 -7.361 1.00 0.00 O ATOM 348 CB ILE A 23 13.166 7.914 -5.739 1.00 0.00 C ATOM 349 CG1 ILE A 23 14.706 7.654 -5.779 1.00 0.00 C ATOM 350 CG2 ILE A 23 12.377 6.572 -5.717 1.00 0.00 C ATOM 351 CD1 ILE A 23 15.243 7.149 -7.101 1.00 0.00 C ATOM 0 H ILE A 23 14.125 10.248 -6.255 1.00 0.00 H new ATOM 0 HA ILE A 23 12.834 8.230 -7.851 1.00 0.00 H new ATOM 0 HB ILE A 23 12.933 8.448 -4.818 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.221 8.581 -5.527 1.00 0.00 H new ATOM 0 HG13 ILE A 23 14.956 6.930 -5.004 1.00 0.00 H new ATOM 0 HG21 ILE A 23 12.709 5.968 -4.872 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.311 6.778 -5.619 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.557 6.029 -6.645 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.320 7.001 -7.023 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.763 6.203 -7.351 1.00 0.00 H new ATOM 0 HD13 ILE A 23 15.033 7.880 -7.882 1.00 0.00 H new ATOM 363 N ALA A 24 11.043 10.334 -6.028 1.00 0.00 N ATOM 364 CA ALA A 24 9.713 10.948 -5.846 1.00 0.00 C ATOM 365 C ALA A 24 9.198 11.543 -7.163 1.00 0.00 C ATOM 366 O ALA A 24 7.994 11.630 -7.374 1.00 0.00 O ATOM 367 CB ALA A 24 9.764 12.028 -4.763 1.00 0.00 C ATOM 0 H ALA A 24 11.788 10.815 -5.523 1.00 0.00 H new ATOM 0 HA ALA A 24 9.022 10.166 -5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.775 12.470 -4.643 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.080 11.583 -3.820 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.474 12.802 -5.054 1.00 0.00 H new ATOM 373 N ARG A 25 10.134 11.961 -8.031 1.00 0.00 N ATOM 374 CA ARG A 25 9.819 12.482 -9.374 1.00 0.00 C ATOM 375 C ARG A 25 9.493 11.320 -10.342 1.00 0.00 C ATOM 376 O ARG A 25 8.690 11.470 -11.266 1.00 0.00 O ATOM 377 CB ARG A 25 11.019 13.310 -9.923 1.00 0.00 C ATOM 378 CG ARG A 25 10.694 14.192 -11.163 1.00 0.00 C ATOM 379 CD ARG A 25 10.263 15.636 -10.802 1.00 0.00 C ATOM 380 NE ARG A 25 9.192 15.705 -9.785 1.00 0.00 N ATOM 381 CZ ARG A 25 8.068 16.425 -9.879 1.00 0.00 C ATOM 382 NH1 ARG A 25 7.715 17.015 -11.018 1.00 0.00 N ATOM 383 NH2 ARG A 25 7.275 16.519 -8.827 1.00 0.00 N ATOM 0 H ARG A 25 11.132 11.948 -7.822 1.00 0.00 H new ATOM 0 HA ARG A 25 8.945 13.129 -9.298 1.00 0.00 H new ATOM 0 HB2 ARG A 25 11.393 13.953 -9.126 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.825 12.625 -10.184 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.572 14.234 -11.808 1.00 0.00 H new ATOM 0 HG3 ARG A 25 9.899 13.717 -11.738 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.132 16.184 -10.438 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.924 16.141 -11.707 1.00 0.00 H new ATOM 0 HE ARG A 25 9.321 15.155 -8.936 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.306 16.924 -11.844 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.853 17.559 -11.065 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.523 16.046 -7.958 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.415 17.064 -8.884 1.00 0.00 H new ATOM 397 N MET A 26 10.139 10.164 -10.110 1.00 0.00 N ATOM 398 CA MET A 26 10.031 8.978 -10.981 1.00 0.00 C ATOM 399 C MET A 26 8.705 8.228 -10.748 1.00 0.00 C ATOM 400 O MET A 26 7.865 8.136 -11.650 1.00 0.00 O ATOM 401 CB MET A 26 11.249 8.044 -10.706 1.00 0.00 C ATOM 402 CG MET A 26 11.220 6.676 -11.408 1.00 0.00 C ATOM 403 SD MET A 26 12.660 5.666 -10.985 1.00 0.00 S ATOM 404 CE MET A 26 12.262 4.110 -11.786 1.00 0.00 C ATOM 0 H MET A 26 10.754 10.024 -9.309 1.00 0.00 H new ATOM 0 HA MET A 26 10.038 9.298 -12.023 1.00 0.00 H new ATOM 0 HB2 MET A 26 12.157 8.566 -11.007 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.319 7.877 -9.631 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.310 6.145 -11.129 1.00 0.00 H new ATOM 0 HG3 MET A 26 11.185 6.823 -12.487 1.00 0.00 H new ATOM 0 HE1 MET A 26 12.708 3.288 -11.226 1.00 0.00 H new ATOM 0 HE2 MET A 26 11.180 3.983 -11.816 1.00 0.00 H new ATOM 0 HE3 MET A 26 12.656 4.113 -12.802 1.00 0.00 H new ATOM 414 N VAL A 27 8.521 7.715 -9.519 1.00 0.00 N ATOM 415 CA VAL A 27 7.369 6.855 -9.170 1.00 0.00 C ATOM 416 C VAL A 27 6.159 7.686 -8.711 1.00 0.00 C ATOM 417 O VAL A 27 5.011 7.340 -9.006 1.00 0.00 O ATOM 418 CB VAL A 27 7.767 5.773 -8.093 1.00 0.00 C ATOM 419 CG1 VAL A 27 8.944 4.920 -8.614 1.00 0.00 C ATOM 420 CG2 VAL A 27 8.114 6.397 -6.711 1.00 0.00 C ATOM 0 H VAL A 27 9.160 7.881 -8.742 1.00 0.00 H new ATOM 0 HA VAL A 27 7.072 6.325 -10.075 1.00 0.00 H new ATOM 0 HB VAL A 27 6.895 5.137 -7.937 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.213 4.175 -7.865 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.650 4.418 -9.536 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.801 5.564 -8.810 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.380 5.605 -6.011 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.955 7.081 -6.822 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.250 6.942 -6.331 1.00 0.00 H new ATOM 430 N GLY A 28 6.443 8.766 -7.962 1.00 0.00 N ATOM 431 CA GLY A 28 5.413 9.662 -7.447 1.00 0.00 C ATOM 432 C GLY A 28 4.968 10.702 -8.471 1.00 0.00 C ATOM 433 O GLY A 28 3.769 10.995 -8.593 1.00 0.00 O ATOM 0 H GLY A 28 7.392 9.035 -7.702 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.550 9.074 -7.134 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.791 10.171 -6.560 1.00 0.00 H new ATOM 437 N SER A 29 5.971 11.260 -9.198 1.00 0.00 N ATOM 438 CA SER A 29 5.837 12.497 -10.016 1.00 0.00 C ATOM 439 C SER A 29 5.410 13.691 -9.111 1.00 0.00 C ATOM 440 O SER A 29 4.830 14.678 -9.565 1.00 0.00 O ATOM 441 CB SER A 29 4.873 12.263 -11.215 1.00 0.00 C ATOM 442 OG SER A 29 4.858 13.364 -12.108 1.00 0.00 O ATOM 0 H SER A 29 6.908 10.859 -9.234 1.00 0.00 H new ATOM 0 HA SER A 29 6.804 12.755 -10.449 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.175 11.364 -11.753 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.865 12.087 -10.840 1.00 0.00 H new ATOM 0 HG SER A 29 4.826 14.199 -11.597 1.00 0.00 H new ATOM 448 N LYS A 30 5.777 13.584 -7.815 1.00 0.00 N ATOM 449 CA LYS A 30 5.390 14.518 -6.742 1.00 0.00 C ATOM 450 C LYS A 30 6.638 15.009 -5.988 1.00 0.00 C ATOM 451 O LYS A 30 7.757 14.687 -6.385 1.00 0.00 O ATOM 452 CB LYS A 30 4.393 13.809 -5.776 1.00 0.00 C ATOM 453 CG LYS A 30 3.001 13.521 -6.379 1.00 0.00 C ATOM 454 CD LYS A 30 2.247 14.815 -6.766 1.00 0.00 C ATOM 455 CE LYS A 30 0.839 14.549 -7.323 1.00 0.00 C ATOM 456 NZ LYS A 30 0.002 13.741 -6.392 1.00 0.00 N ATOM 0 H LYS A 30 6.367 12.823 -7.480 1.00 0.00 H new ATOM 0 HA LYS A 30 4.898 15.389 -7.175 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.834 12.867 -5.449 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.268 14.428 -4.888 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.114 12.892 -7.262 1.00 0.00 H new ATOM 0 HG3 LYS A 30 2.406 12.958 -5.660 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.169 15.459 -5.890 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.829 15.359 -7.510 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.344 15.500 -7.520 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.921 14.029 -8.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.982 13.731 -6.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.365 12.767 -6.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.038 14.160 -5.441 1.00 0.00 H new ATOM 470 N THR A 31 6.427 15.798 -4.915 1.00 0.00 N ATOM 471 CA THR A 31 7.511 16.373 -4.079 1.00 0.00 C ATOM 472 C THR A 31 8.361 15.264 -3.400 1.00 0.00 C ATOM 473 O THR A 31 7.868 14.153 -3.195 1.00 0.00 O ATOM 474 CB THR A 31 6.884 17.325 -2.994 1.00 0.00 C ATOM 475 OG1 THR A 31 6.077 18.333 -3.639 1.00 0.00 O ATOM 476 CG2 THR A 31 7.929 18.018 -2.094 1.00 0.00 C ATOM 0 H THR A 31 5.493 16.059 -4.598 1.00 0.00 H new ATOM 0 HA THR A 31 8.178 16.943 -4.726 1.00 0.00 H new ATOM 0 HB THR A 31 6.279 16.690 -2.346 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.687 18.923 -2.961 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.421 18.657 -1.372 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.511 17.263 -1.564 1.00 0.00 H new ATOM 0 HG23 THR A 31 8.595 18.623 -2.709 1.00 0.00 H new ATOM 484 N VAL A 32 9.634 15.595 -3.055 1.00 0.00 N ATOM 485 CA VAL A 32 10.590 14.679 -2.367 1.00 0.00 C ATOM 486 C VAL A 32 9.964 13.982 -1.133 1.00 0.00 C ATOM 487 O VAL A 32 10.275 12.822 -0.844 1.00 0.00 O ATOM 488 CB VAL A 32 11.909 15.448 -1.955 1.00 0.00 C ATOM 489 CG1 VAL A 32 11.613 16.651 -1.028 1.00 0.00 C ATOM 490 CG2 VAL A 32 12.965 14.506 -1.320 1.00 0.00 C ATOM 0 H VAL A 32 10.031 16.514 -3.248 1.00 0.00 H new ATOM 0 HA VAL A 32 10.843 13.897 -3.083 1.00 0.00 H new ATOM 0 HB VAL A 32 12.335 15.839 -2.879 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.547 17.150 -0.770 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.956 17.353 -1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.127 16.298 -0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 32 13.852 15.081 -1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 32 12.549 14.045 -0.424 1.00 0.00 H new ATOM 0 HG23 VAL A 32 13.237 13.729 -2.035 1.00 0.00 H new ATOM 500 N SER A 33 9.062 14.720 -0.457 1.00 0.00 N ATOM 501 CA SER A 33 8.295 14.263 0.721 1.00 0.00 C ATOM 502 C SER A 33 7.626 12.885 0.497 1.00 0.00 C ATOM 503 O SER A 33 7.540 12.074 1.423 1.00 0.00 O ATOM 504 CB SER A 33 7.221 15.323 1.047 1.00 0.00 C ATOM 505 OG SER A 33 7.792 16.612 1.212 1.00 0.00 O ATOM 0 H SER A 33 8.840 15.679 -0.723 1.00 0.00 H new ATOM 0 HA SER A 33 8.989 14.143 1.553 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.482 15.352 0.246 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.693 15.039 1.957 1.00 0.00 H new ATOM 0 HG SER A 33 7.085 17.259 1.416 1.00 0.00 H new ATOM 511 N GLN A 34 7.169 12.650 -0.745 1.00 0.00 N ATOM 512 CA GLN A 34 6.510 11.396 -1.155 1.00 0.00 C ATOM 513 C GLN A 34 7.446 10.185 -0.952 1.00 0.00 C ATOM 514 O GLN A 34 7.070 9.215 -0.289 1.00 0.00 O ATOM 515 CB GLN A 34 6.034 11.503 -2.636 1.00 0.00 C ATOM 516 CG GLN A 34 5.242 10.290 -3.169 1.00 0.00 C ATOM 517 CD GLN A 34 4.039 9.914 -2.292 1.00 0.00 C ATOM 518 OE1 GLN A 34 4.142 9.067 -1.402 1.00 0.00 O ATOM 519 NE2 GLN A 34 2.900 10.558 -2.517 1.00 0.00 N ATOM 0 H GLN A 34 7.247 13.331 -1.500 1.00 0.00 H new ATOM 0 HA GLN A 34 5.636 11.239 -0.523 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.413 12.393 -2.736 1.00 0.00 H new ATOM 0 HB3 GLN A 34 6.908 11.651 -3.270 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.892 10.509 -4.178 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.911 9.433 -3.242 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.846 11.254 -3.261 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.079 10.357 -1.946 1.00 0.00 H new ATOM 528 N CYS A 35 8.674 10.274 -1.497 1.00 0.00 N ATOM 529 CA CYS A 35 9.675 9.181 -1.401 1.00 0.00 C ATOM 530 C CYS A 35 10.297 9.111 0.005 1.00 0.00 C ATOM 531 O CYS A 35 10.776 8.049 0.427 1.00 0.00 O ATOM 532 CB CYS A 35 10.777 9.337 -2.466 1.00 0.00 C ATOM 533 SG CYS A 35 11.916 7.938 -2.551 1.00 0.00 S ATOM 0 H CYS A 35 9.003 11.092 -2.011 1.00 0.00 H new ATOM 0 HA CYS A 35 9.148 8.245 -1.587 1.00 0.00 H new ATOM 0 HB2 CYS A 35 10.309 9.472 -3.441 1.00 0.00 H new ATOM 0 HB3 CYS A 35 11.345 10.243 -2.257 1.00 0.00 H new ATOM 0 HG CYS A 35 12.508 7.790 -1.403 1.00 0.00 H new ATOM 539 N LYS A 36 10.306 10.255 0.713 1.00 0.00 N ATOM 540 CA LYS A 36 10.830 10.335 2.084 1.00 0.00 C ATOM 541 C LYS A 36 9.973 9.512 3.060 1.00 0.00 C ATOM 542 O LYS A 36 10.461 8.555 3.653 1.00 0.00 O ATOM 543 CB LYS A 36 10.927 11.812 2.558 1.00 0.00 C ATOM 544 CG LYS A 36 12.065 12.624 1.912 1.00 0.00 C ATOM 545 CD LYS A 36 13.458 11.997 2.152 1.00 0.00 C ATOM 546 CE LYS A 36 13.795 11.797 3.642 1.00 0.00 C ATOM 547 NZ LYS A 36 13.825 13.083 4.384 1.00 0.00 N ATOM 0 H LYS A 36 9.953 11.142 0.353 1.00 0.00 H new ATOM 0 HA LYS A 36 11.834 9.910 2.076 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.980 12.309 2.348 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.060 11.824 3.640 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.886 12.702 0.840 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.054 13.638 2.312 1.00 0.00 H new ATOM 0 HD2 LYS A 36 13.506 11.034 1.645 1.00 0.00 H new ATOM 0 HD3 LYS A 36 14.217 12.634 1.699 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.057 11.135 4.095 1.00 0.00 H new ATOM 0 HE3 LYS A 36 14.763 11.304 3.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 14.055 12.903 5.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.547 13.706 3.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.894 13.542 4.321 1.00 0.00 H new ATOM 561 N ASN A 37 8.682 9.880 3.184 1.00 0.00 N ATOM 562 CA ASN A 37 7.752 9.228 4.134 1.00 0.00 C ATOM 563 C ASN A 37 7.488 7.768 3.720 1.00 0.00 C ATOM 564 O ASN A 37 7.245 6.924 4.579 1.00 0.00 O ATOM 565 CB ASN A 37 6.422 10.023 4.273 1.00 0.00 C ATOM 566 CG ASN A 37 6.602 11.372 4.986 1.00 0.00 C ATOM 567 OD1 ASN A 37 6.599 11.440 6.214 1.00 0.00 O ATOM 568 ND2 ASN A 37 6.750 12.449 4.228 1.00 0.00 N ATOM 0 H ASN A 37 8.256 10.628 2.637 1.00 0.00 H new ATOM 0 HA ASN A 37 8.228 9.224 5.115 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.002 10.195 3.282 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.700 9.420 4.824 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.866 13.365 4.661 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.748 12.362 3.212 1.00 0.00 H new ATOM 575 N PHE A 38 7.580 7.499 2.396 1.00 0.00 N ATOM 576 CA PHE A 38 7.567 6.131 1.809 1.00 0.00 C ATOM 577 C PHE A 38 8.549 5.202 2.544 1.00 0.00 C ATOM 578 O PHE A 38 8.219 4.053 2.859 1.00 0.00 O ATOM 579 CB PHE A 38 7.954 6.223 0.303 1.00 0.00 C ATOM 580 CG PHE A 38 8.332 4.915 -0.395 1.00 0.00 C ATOM 581 CD1 PHE A 38 7.403 3.893 -0.571 1.00 0.00 C ATOM 582 CD2 PHE A 38 9.629 4.710 -0.884 1.00 0.00 C ATOM 583 CE1 PHE A 38 7.747 2.724 -1.222 1.00 0.00 C ATOM 584 CE2 PHE A 38 9.971 3.538 -1.532 1.00 0.00 C ATOM 585 CZ PHE A 38 9.031 2.542 -1.696 1.00 0.00 C ATOM 0 H PHE A 38 7.667 8.233 1.693 1.00 0.00 H new ATOM 0 HA PHE A 38 6.566 5.713 1.915 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.116 6.666 -0.236 1.00 0.00 H new ATOM 0 HB3 PHE A 38 8.793 6.912 0.210 1.00 0.00 H new ATOM 0 HD1 PHE A 38 6.399 4.016 -0.193 1.00 0.00 H new ATOM 0 HD2 PHE A 38 10.374 5.481 -0.752 1.00 0.00 H new ATOM 0 HE1 PHE A 38 7.008 1.949 -1.361 1.00 0.00 H new ATOM 0 HE2 PHE A 38 10.974 3.402 -1.910 1.00 0.00 H new ATOM 0 HZ PHE A 38 9.299 1.622 -2.194 1.00 0.00 H new ATOM 595 N TYR A 39 9.746 5.733 2.822 1.00 0.00 N ATOM 596 CA TYR A 39 10.855 4.957 3.382 1.00 0.00 C ATOM 597 C TYR A 39 10.599 4.567 4.854 1.00 0.00 C ATOM 598 O TYR A 39 11.174 3.595 5.351 1.00 0.00 O ATOM 599 CB TYR A 39 12.184 5.739 3.236 1.00 0.00 C ATOM 600 CG TYR A 39 13.413 4.839 3.345 1.00 0.00 C ATOM 601 CD1 TYR A 39 13.608 3.825 2.412 1.00 0.00 C ATOM 602 CD2 TYR A 39 14.365 4.989 4.356 1.00 0.00 C ATOM 603 CE1 TYR A 39 14.703 2.996 2.482 1.00 0.00 C ATOM 604 CE2 TYR A 39 15.469 4.156 4.429 1.00 0.00 C ATOM 605 CZ TYR A 39 15.635 3.162 3.485 1.00 0.00 C ATOM 606 OH TYR A 39 16.739 2.339 3.540 1.00 0.00 O ATOM 0 H TYR A 39 9.971 6.715 2.664 1.00 0.00 H new ATOM 0 HA TYR A 39 10.932 4.029 2.816 1.00 0.00 H new ATOM 0 HB2 TYR A 39 12.197 6.249 2.273 1.00 0.00 H new ATOM 0 HB3 TYR A 39 12.234 6.510 4.005 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.887 3.687 1.620 1.00 0.00 H new ATOM 0 HD2 TYR A 39 14.238 5.768 5.093 1.00 0.00 H new ATOM 0 HE1 TYR A 39 14.833 2.213 1.750 1.00 0.00 H new ATOM 0 HE2 TYR A 39 16.195 4.283 5.219 1.00 0.00 H new ATOM 0 HH TYR A 39 16.927 2.105 4.473 1.00 0.00 H new ATOM 616 N PHE A 40 9.745 5.338 5.535 1.00 0.00 N ATOM 617 CA PHE A 40 9.325 5.055 6.920 1.00 0.00 C ATOM 618 C PHE A 40 8.086 4.138 6.920 1.00 0.00 C ATOM 619 O PHE A 40 7.918 3.299 7.812 1.00 0.00 O ATOM 620 CB PHE A 40 9.017 6.384 7.660 1.00 0.00 C ATOM 621 CG PHE A 40 10.208 7.343 7.752 1.00 0.00 C ATOM 622 CD1 PHE A 40 10.548 8.164 6.679 1.00 0.00 C ATOM 623 CD2 PHE A 40 10.993 7.418 8.903 1.00 0.00 C ATOM 624 CE1 PHE A 40 11.624 9.032 6.752 1.00 0.00 C ATOM 625 CE2 PHE A 40 12.071 8.285 8.979 1.00 0.00 C ATOM 626 CZ PHE A 40 12.386 9.090 7.902 1.00 0.00 C ATOM 0 H PHE A 40 9.322 6.180 5.144 1.00 0.00 H new ATOM 0 HA PHE A 40 10.134 4.544 7.441 1.00 0.00 H new ATOM 0 HB2 PHE A 40 8.197 6.889 7.150 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.672 6.154 8.668 1.00 0.00 H new ATOM 0 HD1 PHE A 40 9.961 8.123 5.773 1.00 0.00 H new ATOM 0 HD2 PHE A 40 10.756 6.790 9.749 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.867 9.663 5.910 1.00 0.00 H new ATOM 0 HE2 PHE A 40 12.665 8.331 9.880 1.00 0.00 H new ATOM 0 HZ PHE A 40 13.228 9.764 7.959 1.00 0.00 H new ATOM 770 N LEU A 48 16.661 -2.593 1.266 1.00 0.00 N ATOM 771 CA LEU A 48 17.066 -1.425 0.472 1.00 0.00 C ATOM 772 C LEU A 48 18.545 -1.091 0.745 1.00 0.00 C ATOM 773 O LEU A 48 19.238 -0.534 -0.117 1.00 0.00 O ATOM 774 CB LEU A 48 16.112 -0.233 0.772 1.00 0.00 C ATOM 775 CG LEU A 48 16.105 0.963 -0.245 1.00 0.00 C ATOM 776 CD1 LEU A 48 17.201 2.009 0.048 1.00 0.00 C ATOM 777 CD2 LEU A 48 16.192 0.450 -1.697 1.00 0.00 C ATOM 0 HA LEU A 48 16.983 -1.645 -0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.097 -0.623 0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.367 0.163 1.755 1.00 0.00 H new ATOM 0 HG LEU A 48 15.153 1.477 -0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.145 2.811 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 48 17.052 2.422 1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 48 18.181 1.534 -0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 48 16.186 1.297 -2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 48 17.114 -0.116 -1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.338 -0.194 -1.907 1.00 0.00 H new ATOM 789 N ASP A 49 19.011 -1.475 1.943 1.00 0.00 N ATOM 790 CA ASP A 49 20.410 -1.314 2.357 1.00 0.00 C ATOM 791 C ASP A 49 21.337 -2.165 1.464 1.00 0.00 C ATOM 792 O ASP A 49 22.366 -1.671 1.016 1.00 0.00 O ATOM 793 CB ASP A 49 20.582 -1.693 3.855 1.00 0.00 C ATOM 794 CG ASP A 49 20.253 -3.172 4.143 1.00 0.00 C ATOM 795 OD1 ASP A 49 19.072 -3.553 4.002 1.00 0.00 O ATOM 796 OD2 ASP A 49 21.168 -3.956 4.484 1.00 0.00 O ATOM 0 H ASP A 49 18.423 -1.908 2.655 1.00 0.00 H new ATOM 0 HA ASP A 49 20.690 -0.267 2.238 1.00 0.00 H new ATOM 0 HB2 ASP A 49 21.608 -1.488 4.161 1.00 0.00 H new ATOM 0 HB3 ASP A 49 19.936 -1.058 4.461 1.00 0.00 H new ATOM 801 N GLU A 50 20.932 -3.429 1.168 1.00 0.00 N ATOM 802 CA GLU A 50 21.738 -4.341 0.326 1.00 0.00 C ATOM 803 C GLU A 50 21.698 -3.889 -1.150 1.00 0.00 C ATOM 804 O GLU A 50 22.663 -4.078 -1.882 1.00 0.00 O ATOM 805 CB GLU A 50 21.287 -5.835 0.449 1.00 0.00 C ATOM 806 CG GLU A 50 19.910 -6.150 -0.158 1.00 0.00 C ATOM 807 CD GLU A 50 19.568 -7.649 -0.229 1.00 0.00 C ATOM 808 OE1 GLU A 50 20.032 -8.324 -1.166 1.00 0.00 O ATOM 809 OE2 GLU A 50 18.807 -8.153 0.630 1.00 0.00 O ATOM 0 H GLU A 50 20.057 -3.834 1.500 1.00 0.00 H new ATOM 0 HA GLU A 50 22.763 -4.287 0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 50 22.033 -6.465 -0.035 1.00 0.00 H new ATOM 0 HB3 GLU A 50 21.274 -6.109 1.504 1.00 0.00 H new ATOM 0 HG2 GLU A 50 19.144 -5.644 0.430 1.00 0.00 H new ATOM 0 HG3 GLU A 50 19.867 -5.733 -1.164 1.00 0.00 H new ATOM 816 N ILE A 51 20.567 -3.289 -1.566 1.00 0.00 N ATOM 817 CA ILE A 51 20.379 -2.743 -2.928 1.00 0.00 C ATOM 818 C ILE A 51 21.379 -1.604 -3.194 1.00 0.00 C ATOM 819 O ILE A 51 22.037 -1.577 -4.235 1.00 0.00 O ATOM 820 CB ILE A 51 18.888 -2.258 -3.105 1.00 0.00 C ATOM 821 CG1 ILE A 51 17.925 -3.490 -3.127 1.00 0.00 C ATOM 822 CG2 ILE A 51 18.682 -1.364 -4.356 1.00 0.00 C ATOM 823 CD1 ILE A 51 16.445 -3.151 -3.070 1.00 0.00 C ATOM 0 H ILE A 51 19.752 -3.168 -0.965 1.00 0.00 H new ATOM 0 HA ILE A 51 20.573 -3.526 -3.661 1.00 0.00 H new ATOM 0 HB ILE A 51 18.650 -1.629 -2.247 1.00 0.00 H new ATOM 0 HG12 ILE A 51 18.116 -4.065 -4.033 1.00 0.00 H new ATOM 0 HG13 ILE A 51 18.167 -4.136 -2.283 1.00 0.00 H new ATOM 0 HG21 ILE A 51 17.636 -1.064 -4.421 1.00 0.00 H new ATOM 0 HG22 ILE A 51 19.310 -0.477 -4.276 1.00 0.00 H new ATOM 0 HG23 ILE A 51 18.955 -1.923 -5.251 1.00 0.00 H new ATOM 0 HD11 ILE A 51 15.860 -4.071 -3.090 1.00 0.00 H new ATOM 0 HD12 ILE A 51 16.232 -2.606 -2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 51 16.180 -2.533 -3.928 1.00 0.00 H new ATOM 835 N LEU A 52 21.505 -0.698 -2.218 1.00 0.00 N ATOM 836 CA LEU A 52 22.448 0.439 -2.286 1.00 0.00 C ATOM 837 C LEU A 52 23.897 -0.003 -1.979 1.00 0.00 C ATOM 838 O LEU A 52 24.842 0.647 -2.428 1.00 0.00 O ATOM 839 CB LEU A 52 21.983 1.583 -1.332 1.00 0.00 C ATOM 840 CG LEU A 52 21.027 2.655 -1.946 1.00 0.00 C ATOM 841 CD1 LEU A 52 21.742 3.489 -3.024 1.00 0.00 C ATOM 842 CD2 LEU A 52 19.734 2.026 -2.498 1.00 0.00 C ATOM 0 H LEU A 52 20.959 -0.727 -1.357 1.00 0.00 H new ATOM 0 HA LEU A 52 22.446 0.823 -3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 52 21.484 1.131 -0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 52 22.869 2.093 -0.953 1.00 0.00 H new ATOM 0 HG LEU A 52 20.739 3.327 -1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 52 21.050 4.226 -3.432 1.00 0.00 H new ATOM 0 HD12 LEU A 52 22.597 4.000 -2.581 1.00 0.00 H new ATOM 0 HD13 LEU A 52 22.086 2.833 -3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 52 19.099 2.807 -2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 52 19.984 1.306 -3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 52 19.203 1.519 -1.692 1.00 0.00 H new ATOM 854 N GLN A 53 24.047 -1.100 -1.210 1.00 0.00 N ATOM 855 CA GLN A 53 25.367 -1.687 -0.871 1.00 0.00 C ATOM 856 C GLN A 53 26.037 -2.216 -2.140 1.00 0.00 C ATOM 857 O GLN A 53 27.172 -1.834 -2.468 1.00 0.00 O ATOM 858 CB GLN A 53 25.213 -2.829 0.179 1.00 0.00 C ATOM 859 CG GLN A 53 26.529 -3.547 0.577 1.00 0.00 C ATOM 860 CD GLN A 53 27.571 -2.662 1.281 1.00 0.00 C ATOM 861 OE1 GLN A 53 28.775 -2.868 1.137 1.00 0.00 O ATOM 862 NE2 GLN A 53 27.124 -1.690 2.064 1.00 0.00 N ATOM 0 H GLN A 53 23.260 -1.606 -0.805 1.00 0.00 H new ATOM 0 HA GLN A 53 25.993 -0.910 -0.433 1.00 0.00 H new ATOM 0 HB2 GLN A 53 24.759 -2.414 1.079 1.00 0.00 H new ATOM 0 HB3 GLN A 53 24.519 -3.571 -0.215 1.00 0.00 H new ATOM 0 HG2 GLN A 53 26.284 -4.383 1.232 1.00 0.00 H new ATOM 0 HG3 GLN A 53 26.981 -3.968 -0.321 1.00 0.00 H new ATOM 0 HE21 GLN A 53 26.121 -1.539 2.167 1.00 0.00 H new ATOM 0 HE22 GLN A 53 27.784 -1.093 2.563 1.00 0.00 H new ATOM 871 N GLN A 54 25.291 -3.071 -2.859 1.00 0.00 N ATOM 872 CA GLN A 54 25.763 -3.694 -4.095 1.00 0.00 C ATOM 873 C GLN A 54 25.923 -2.632 -5.190 1.00 0.00 C ATOM 874 O GLN A 54 26.926 -2.624 -5.877 1.00 0.00 O ATOM 875 CB GLN A 54 24.807 -4.831 -4.553 1.00 0.00 C ATOM 876 CG GLN A 54 24.559 -5.934 -3.494 1.00 0.00 C ATOM 877 CD GLN A 54 25.772 -6.805 -3.126 1.00 0.00 C ATOM 878 OE1 GLN A 54 26.926 -6.395 -3.223 1.00 0.00 O ATOM 879 NE2 GLN A 54 25.510 -8.014 -2.650 1.00 0.00 N ATOM 0 H GLN A 54 24.345 -3.346 -2.595 1.00 0.00 H new ATOM 0 HA GLN A 54 26.736 -4.146 -3.904 1.00 0.00 H new ATOM 0 HB2 GLN A 54 23.849 -4.392 -4.831 1.00 0.00 H new ATOM 0 HB3 GLN A 54 25.218 -5.294 -5.450 1.00 0.00 H new ATOM 0 HG2 GLN A 54 24.189 -5.460 -2.585 1.00 0.00 H new ATOM 0 HG3 GLN A 54 23.766 -6.587 -3.858 1.00 0.00 H new ATOM 0 HE21 GLN A 54 24.545 -8.335 -2.578 1.00 0.00 H new ATOM 0 HE22 GLN A 54 26.274 -8.623 -2.356 1.00 0.00 H new ATOM 888 N HIS A 55 24.945 -1.707 -5.294 1.00 0.00 N ATOM 889 CA HIS A 55 24.981 -0.615 -6.291 1.00 0.00 C ATOM 890 C HIS A 55 26.204 0.309 -6.077 1.00 0.00 C ATOM 891 O HIS A 55 26.730 0.854 -7.044 1.00 0.00 O ATOM 892 CB HIS A 55 23.664 0.215 -6.265 1.00 0.00 C ATOM 893 CG HIS A 55 23.606 1.324 -7.293 1.00 0.00 C ATOM 894 ND1 HIS A 55 23.790 1.102 -8.638 1.00 0.00 N ATOM 895 CD2 HIS A 55 23.406 2.667 -7.168 1.00 0.00 C ATOM 896 CE1 HIS A 55 23.711 2.244 -9.294 1.00 0.00 C ATOM 897 NE2 HIS A 55 23.475 3.212 -8.430 1.00 0.00 N ATOM 0 H HIS A 55 24.118 -1.695 -4.697 1.00 0.00 H new ATOM 0 HA HIS A 55 25.076 -1.079 -7.273 1.00 0.00 H new ATOM 0 HB2 HIS A 55 22.821 -0.458 -6.425 1.00 0.00 H new ATOM 0 HB3 HIS A 55 23.541 0.649 -5.273 1.00 0.00 H new ATOM 0 HD2 HIS A 55 23.227 3.204 -6.248 1.00 0.00 H new ATOM 0 HE1 HIS A 55 23.821 2.366 -10.361 1.00 0.00 H new ATOM 0 HE2 HIS A 55 23.362 4.200 -8.659 1.00 0.00 H new ATOM 906 N LYS A 56 26.647 0.467 -4.811 1.00 0.00 N ATOM 907 CA LYS A 56 27.808 1.318 -4.468 1.00 0.00 C ATOM 908 C LYS A 56 29.128 0.660 -4.914 1.00 0.00 C ATOM 909 O LYS A 56 29.907 1.273 -5.654 1.00 0.00 O ATOM 910 CB LYS A 56 27.836 1.623 -2.947 1.00 0.00 C ATOM 911 CG LYS A 56 29.030 2.496 -2.484 1.00 0.00 C ATOM 912 CD LYS A 56 28.940 2.981 -1.007 1.00 0.00 C ATOM 913 CE LYS A 56 27.904 4.109 -0.767 1.00 0.00 C ATOM 914 NZ LYS A 56 26.491 3.687 -0.984 1.00 0.00 N ATOM 0 H LYS A 56 26.216 0.014 -4.005 1.00 0.00 H new ATOM 0 HA LYS A 56 27.703 2.261 -5.005 1.00 0.00 H new ATOM 0 HB2 LYS A 56 26.908 2.126 -2.674 1.00 0.00 H new ATOM 0 HB3 LYS A 56 27.860 0.680 -2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 56 29.951 1.927 -2.611 1.00 0.00 H new ATOM 0 HG3 LYS A 56 29.101 3.367 -3.136 1.00 0.00 H new ATOM 0 HD2 LYS A 56 28.688 2.131 -0.373 1.00 0.00 H new ATOM 0 HD3 LYS A 56 29.922 3.333 -0.692 1.00 0.00 H new ATOM 0 HE2 LYS A 56 28.011 4.476 0.254 1.00 0.00 H new ATOM 0 HE3 LYS A 56 28.130 4.944 -1.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 25.863 4.252 -0.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 26.234 3.835 -1.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 26.389 2.680 -0.746 1.00 0.00 H new ATOM 928 N LEU A 57 29.361 -0.591 -4.471 1.00 0.00 N ATOM 929 CA LEU A 57 30.614 -1.320 -4.772 1.00 0.00 C ATOM 930 C LEU A 57 30.691 -1.703 -6.262 1.00 0.00 C ATOM 931 O LEU A 57 31.786 -1.858 -6.807 1.00 0.00 O ATOM 932 CB LEU A 57 30.777 -2.554 -3.820 1.00 0.00 C ATOM 933 CG LEU A 57 29.654 -3.661 -3.833 1.00 0.00 C ATOM 934 CD1 LEU A 57 29.820 -4.677 -4.988 1.00 0.00 C ATOM 935 CD2 LEU A 57 29.560 -4.390 -2.470 1.00 0.00 C ATOM 0 H LEU A 57 28.699 -1.120 -3.903 1.00 0.00 H new ATOM 0 HA LEU A 57 31.458 -0.657 -4.581 1.00 0.00 H new ATOM 0 HB2 LEU A 57 31.724 -3.038 -4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 57 30.862 -2.178 -2.800 1.00 0.00 H new ATOM 0 HG LEU A 57 28.716 -3.135 -4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 57 29.017 -5.413 -4.943 1.00 0.00 H new ATOM 0 HD12 LEU A 57 29.779 -4.153 -5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 57 30.781 -5.182 -4.893 1.00 0.00 H new ATOM 0 HD21 LEU A 57 28.776 -5.146 -2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 57 30.513 -4.869 -2.247 1.00 0.00 H new ATOM 0 HD23 LEU A 57 29.324 -3.669 -1.687 1.00 0.00 H new ATOM 947 N LYS A 58 29.513 -1.860 -6.906 1.00 0.00 N ATOM 948 CA LYS A 58 29.419 -2.090 -8.360 1.00 0.00 C ATOM 949 C LYS A 58 29.716 -0.801 -9.121 1.00 0.00 C ATOM 950 O LYS A 58 30.404 -0.844 -10.131 1.00 0.00 O ATOM 951 CB LYS A 58 28.039 -2.664 -8.771 1.00 0.00 C ATOM 952 CG LYS A 58 27.847 -4.164 -8.459 1.00 0.00 C ATOM 953 CD LYS A 58 26.421 -4.662 -8.778 1.00 0.00 C ATOM 954 CE LYS A 58 26.003 -4.422 -10.242 1.00 0.00 C ATOM 955 NZ LYS A 58 24.620 -4.881 -10.505 1.00 0.00 N ATOM 0 H LYS A 58 28.609 -1.831 -6.435 1.00 0.00 H new ATOM 0 HA LYS A 58 30.168 -2.837 -8.623 1.00 0.00 H new ATOM 0 HB2 LYS A 58 27.259 -2.098 -8.262 1.00 0.00 H new ATOM 0 HB3 LYS A 58 27.900 -2.508 -9.841 1.00 0.00 H new ATOM 0 HG2 LYS A 58 28.567 -4.745 -9.034 1.00 0.00 H new ATOM 0 HG3 LYS A 58 28.062 -4.342 -7.405 1.00 0.00 H new ATOM 0 HD2 LYS A 58 26.359 -5.728 -8.560 1.00 0.00 H new ATOM 0 HD3 LYS A 58 25.713 -4.160 -8.119 1.00 0.00 H new ATOM 0 HE2 LYS A 58 26.083 -3.360 -10.473 1.00 0.00 H new ATOM 0 HE3 LYS A 58 26.691 -4.945 -10.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 24.378 -4.702 -11.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 24.549 -5.900 -10.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 23.960 -4.364 -9.890 1.00 0.00 H new ATOM 969 N MET A 59 29.204 0.340 -8.614 1.00 0.00 N ATOM 970 CA MET A 59 29.493 1.675 -9.191 1.00 0.00 C ATOM 971 C MET A 59 31.002 1.952 -9.125 1.00 0.00 C ATOM 972 O MET A 59 31.569 2.570 -10.025 1.00 0.00 O ATOM 973 CB MET A 59 28.698 2.789 -8.456 1.00 0.00 C ATOM 974 CG MET A 59 28.939 4.219 -8.972 1.00 0.00 C ATOM 975 SD MET A 59 28.543 4.421 -10.727 1.00 0.00 S ATOM 976 CE MET A 59 26.779 4.092 -10.750 1.00 0.00 C ATOM 0 H MET A 59 28.586 0.366 -7.803 1.00 0.00 H new ATOM 0 HA MET A 59 29.175 1.678 -10.234 1.00 0.00 H new ATOM 0 HB2 MET A 59 27.634 2.566 -8.536 1.00 0.00 H new ATOM 0 HB3 MET A 59 28.952 2.755 -7.397 1.00 0.00 H new ATOM 0 HG2 MET A 59 28.337 4.915 -8.388 1.00 0.00 H new ATOM 0 HG3 MET A 59 29.983 4.486 -8.809 1.00 0.00 H new ATOM 0 HE1 MET A 59 26.367 4.386 -11.715 1.00 0.00 H new ATOM 0 HE2 MET A 59 26.605 3.028 -10.590 1.00 0.00 H new ATOM 0 HE3 MET A 59 26.292 4.662 -9.958 1.00 0.00 H new ATOM 986 N GLU A 60 31.638 1.452 -8.059 1.00 0.00 N ATOM 987 CA GLU A 60 33.086 1.540 -7.879 1.00 0.00 C ATOM 988 C GLU A 60 33.838 0.624 -8.867 1.00 0.00 C ATOM 989 O GLU A 60 34.768 1.086 -9.524 1.00 0.00 O ATOM 990 CB GLU A 60 33.468 1.216 -6.412 1.00 0.00 C ATOM 991 CG GLU A 60 33.092 2.329 -5.411 1.00 0.00 C ATOM 992 CD GLU A 60 33.816 3.659 -5.711 1.00 0.00 C ATOM 993 OE1 GLU A 60 35.005 3.798 -5.348 1.00 0.00 O ATOM 994 OE2 GLU A 60 33.209 4.567 -6.319 1.00 0.00 O ATOM 0 H GLU A 60 31.158 0.974 -7.296 1.00 0.00 H new ATOM 0 HA GLU A 60 33.391 2.564 -8.096 1.00 0.00 H new ATOM 0 HB2 GLU A 60 32.976 0.290 -6.114 1.00 0.00 H new ATOM 0 HB3 GLU A 60 34.542 1.038 -6.357 1.00 0.00 H new ATOM 0 HG2 GLU A 60 32.014 2.491 -5.439 1.00 0.00 H new ATOM 0 HG3 GLU A 60 33.339 2.004 -4.400 1.00 0.00 H new ATOM 1001 N LYS A 61 33.426 -0.655 -8.979 1.00 0.00 N ATOM 1002 CA LYS A 61 34.165 -1.657 -9.786 1.00 0.00 C ATOM 1003 C LYS A 61 34.068 -1.339 -11.296 1.00 0.00 C ATOM 1004 O LYS A 61 35.023 -1.554 -12.035 1.00 0.00 O ATOM 1005 CB LYS A 61 33.683 -3.112 -9.477 1.00 0.00 C ATOM 1006 CG LYS A 61 32.320 -3.521 -10.084 1.00 0.00 C ATOM 1007 CD LYS A 61 31.799 -4.918 -9.628 1.00 0.00 C ATOM 1008 CE LYS A 61 32.573 -6.121 -10.221 1.00 0.00 C ATOM 1009 NZ LYS A 61 33.936 -6.289 -9.648 1.00 0.00 N ATOM 0 H LYS A 61 32.590 -1.021 -8.524 1.00 0.00 H new ATOM 0 HA LYS A 61 35.216 -1.597 -9.502 1.00 0.00 H new ATOM 0 HB2 LYS A 61 34.441 -3.808 -9.836 1.00 0.00 H new ATOM 0 HB3 LYS A 61 33.627 -3.232 -8.395 1.00 0.00 H new ATOM 0 HG2 LYS A 61 31.578 -2.767 -9.819 1.00 0.00 H new ATOM 0 HG3 LYS A 61 32.405 -3.517 -11.171 1.00 0.00 H new ATOM 0 HD2 LYS A 61 31.848 -4.972 -8.540 1.00 0.00 H new ATOM 0 HD3 LYS A 61 30.748 -5.007 -9.904 1.00 0.00 H new ATOM 0 HE2 LYS A 61 32.000 -7.032 -10.049 1.00 0.00 H new ATOM 0 HE3 LYS A 61 32.654 -5.994 -11.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 34.123 -7.299 -9.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 34.641 -5.908 -10.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 33.998 -5.778 -8.745 1.00 0.00 H new ATOM 1023 N GLU A 62 32.915 -0.796 -11.731 1.00 0.00 N ATOM 1024 CA GLU A 62 32.683 -0.450 -13.148 1.00 0.00 C ATOM 1025 C GLU A 62 33.416 0.856 -13.518 1.00 0.00 C ATOM 1026 O GLU A 62 33.997 0.954 -14.600 1.00 0.00 O ATOM 1027 CB GLU A 62 31.158 -0.357 -13.457 1.00 0.00 C ATOM 1028 CG GLU A 62 30.398 0.776 -12.734 1.00 0.00 C ATOM 1029 CD GLU A 62 28.869 0.719 -12.920 1.00 0.00 C ATOM 1030 OE1 GLU A 62 28.190 -0.022 -12.171 1.00 0.00 O ATOM 1031 OE2 GLU A 62 28.346 1.414 -13.810 1.00 0.00 O ATOM 0 H GLU A 62 32.126 -0.586 -11.119 1.00 0.00 H new ATOM 0 HA GLU A 62 33.094 -1.248 -13.767 1.00 0.00 H new ATOM 0 HB2 GLU A 62 31.031 -0.227 -14.532 1.00 0.00 H new ATOM 0 HB3 GLU A 62 30.694 -1.307 -13.193 1.00 0.00 H new ATOM 0 HG2 GLU A 62 30.627 0.732 -11.669 1.00 0.00 H new ATOM 0 HG3 GLU A 62 30.763 1.736 -13.099 1.00 0.00 H new ATOM 1038 N ARG A 63 33.401 1.839 -12.590 1.00 0.00 N ATOM 1039 CA ARG A 63 34.060 3.153 -12.781 1.00 0.00 C ATOM 1040 C ARG A 63 35.589 2.994 -12.774 1.00 0.00 C ATOM 1041 O ARG A 63 36.296 3.663 -13.526 1.00 0.00 O ATOM 1042 CB ARG A 63 33.600 4.141 -11.675 1.00 0.00 C ATOM 1043 CG ARG A 63 34.162 5.579 -11.778 1.00 0.00 C ATOM 1044 CD ARG A 63 33.612 6.508 -10.673 1.00 0.00 C ATOM 1045 NE ARG A 63 34.100 7.900 -10.805 1.00 0.00 N ATOM 1046 CZ ARG A 63 33.645 8.958 -10.103 1.00 0.00 C ATOM 1047 NH1 ARG A 63 32.684 8.822 -9.193 1.00 0.00 N ATOM 1048 NH2 ARG A 63 34.147 10.164 -10.334 1.00 0.00 N ATOM 0 H ARG A 63 32.933 1.745 -11.689 1.00 0.00 H new ATOM 0 HA ARG A 63 33.769 3.558 -13.750 1.00 0.00 H new ATOM 0 HB2 ARG A 63 32.511 4.195 -11.693 1.00 0.00 H new ATOM 0 HB3 ARG A 63 33.883 3.729 -10.706 1.00 0.00 H new ATOM 0 HG2 ARG A 63 35.250 5.546 -11.713 1.00 0.00 H new ATOM 0 HG3 ARG A 63 33.913 5.994 -12.755 1.00 0.00 H new ATOM 0 HD2 ARG A 63 32.523 6.504 -10.709 1.00 0.00 H new ATOM 0 HD3 ARG A 63 33.900 6.117 -9.697 1.00 0.00 H new ATOM 0 HE ARG A 63 34.842 8.073 -11.483 1.00 0.00 H new ATOM 0 HH11 ARG A 63 32.276 7.904 -9.015 1.00 0.00 H new ATOM 0 HH12 ARG A 63 32.355 9.636 -8.673 1.00 0.00 H new ATOM 0 HH21 ARG A 63 34.873 10.288 -11.039 1.00 0.00 H new ATOM 0 HH22 ARG A 63 33.807 10.968 -9.806 1.00 0.00 H new ATOM 1062 N ASN A 64 36.073 2.072 -11.929 1.00 0.00 N ATOM 1063 CA ASN A 64 37.504 1.733 -11.824 1.00 0.00 C ATOM 1064 C ASN A 64 37.970 1.025 -13.112 1.00 0.00 C ATOM 1065 O ASN A 64 39.028 1.350 -13.652 1.00 0.00 O ATOM 1066 CB ASN A 64 37.741 0.828 -10.578 1.00 0.00 C ATOM 1067 CG ASN A 64 39.212 0.495 -10.292 1.00 0.00 C ATOM 1068 OD1 ASN A 64 40.111 1.292 -10.561 1.00 0.00 O ATOM 1069 ND2 ASN A 64 39.460 -0.683 -9.726 1.00 0.00 N ATOM 0 H ASN A 64 35.481 1.536 -11.294 1.00 0.00 H new ATOM 0 HA ASN A 64 38.086 2.647 -11.703 1.00 0.00 H new ATOM 0 HB2 ASN A 64 37.318 1.322 -9.703 1.00 0.00 H new ATOM 0 HB3 ASN A 64 37.192 -0.104 -10.714 1.00 0.00 H new ATOM 0 HD21 ASN A 64 40.419 -0.949 -9.502 1.00 0.00 H new ATOM 0 HD22 ASN A 64 38.691 -1.320 -9.516 1.00 0.00 H new