USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=16 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+ 150:sc= 0.313 (180deg=0.0486) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl -131:sc= -0.223 (180deg=-1.23) USER MOD Single : A 8 THR OG1 : rot 65:sc= 0.372 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -131:sc= 0.0144 (180deg=-0.0437) USER MOD Single : A 16 HIS : no HD1:sc= 0.0197 K(o=0.02,f=-2.3) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 160:sc= 0 (180deg=-0.271) USER MOD Single : A 29 SER OG : rot -40:sc= 0.355 USER MOD Single : A 30 LYS NZ :NH3+ -138:sc= 0.0807 (180deg=-2.61!) 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= 0.0923 X(o=0.092,f=-0.0079) USER MOD Single : A 35 CYS SG : rot -93:sc= -1.28 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 0.635 K(o=0.63,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc=-0.00529 USER MOD Single : A 53 GLN : amide:sc= 0.25 X(o=0.25,f=0) USER MOD Single : A 54 GLN : amide:sc= -1.7! K(o=-1.7!,f=-0.39) USER MOD Single : A 55 HIS : no HE2:sc= -0.337 K(o=-0.34,f=-1.8) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -142:sc= -0.673 (180deg=-2.72!) USER MOD Single : A 59 MET CE :methyl -158:sc= -0.234 (180deg=-0.924) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 1.020 1.285 -2.714 1.00 0.00 N ATOM 2 CA TRP A 1 2.350 0.848 -3.175 1.00 0.00 C ATOM 3 C TRP A 1 2.389 -0.682 -3.293 1.00 0.00 C ATOM 4 O TRP A 1 2.566 -1.382 -2.291 1.00 0.00 O ATOM 5 CB TRP A 1 3.458 1.358 -2.222 1.00 0.00 C ATOM 6 CG TRP A 1 3.591 2.867 -2.171 1.00 0.00 C ATOM 7 CD1 TRP A 1 2.871 3.734 -1.392 1.00 0.00 C ATOM 8 CD2 TRP A 1 4.519 3.680 -2.914 1.00 0.00 C ATOM 9 NE1 TRP A 1 3.291 5.021 -1.608 1.00 0.00 N ATOM 10 CE2 TRP A 1 4.299 5.015 -2.533 1.00 0.00 C ATOM 11 CE3 TRP A 1 5.510 3.400 -3.865 1.00 0.00 C ATOM 12 CZ2 TRP A 1 5.028 6.074 -3.069 1.00 0.00 C ATOM 13 CZ3 TRP A 1 6.239 4.453 -4.391 1.00 0.00 C ATOM 14 CH2 TRP A 1 5.995 5.777 -3.988 1.00 0.00 C ATOM 0 H1 TRP A 1 1.114 2.165 -2.167 1.00 0.00 H new ATOM 0 H2 TRP A 1 0.405 1.452 -3.536 1.00 0.00 H new ATOM 0 H3 TRP A 1 0.601 0.547 -2.113 1.00 0.00 H new ATOM 0 HA TRP A 1 2.536 1.277 -4.160 1.00 0.00 H new ATOM 0 HB2 TRP A 1 3.255 0.989 -1.217 1.00 0.00 H new ATOM 0 HB3 TRP A 1 4.412 0.931 -2.532 1.00 0.00 H new ATOM 0 HD1 TRP A 1 2.087 3.446 -0.708 1.00 0.00 H new ATOM 0 HE1 TRP A 1 2.912 5.851 -1.152 1.00 0.00 H new ATOM 0 HE3 TRP A 1 5.701 2.385 -4.181 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 4.836 7.094 -2.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 7.008 4.254 -5.123 1.00 0.00 H new ATOM 0 HH2 TRP A 1 6.584 6.576 -4.413 1.00 0.00 H new ATOM 25 N THR A 2 2.165 -1.200 -4.514 1.00 0.00 N ATOM 26 CA THR A 2 2.268 -2.644 -4.822 1.00 0.00 C ATOM 27 C THR A 2 3.705 -2.965 -5.301 1.00 0.00 C ATOM 28 O THR A 2 4.394 -2.066 -5.780 1.00 0.00 O ATOM 29 CB THR A 2 1.202 -3.043 -5.904 1.00 0.00 C ATOM 30 OG1 THR A 2 -0.080 -2.505 -5.528 1.00 0.00 O ATOM 31 CG2 THR A 2 1.068 -4.572 -6.079 1.00 0.00 C ATOM 0 H THR A 2 1.907 -0.630 -5.319 1.00 0.00 H new ATOM 0 HA THR A 2 2.064 -3.228 -3.925 1.00 0.00 H new ATOM 0 HB THR A 2 1.541 -2.631 -6.855 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.748 -2.750 -6.202 1.00 0.00 H new ATOM 0 HG21 THR A 2 0.317 -4.787 -6.839 1.00 0.00 H new ATOM 0 HG22 THR A 2 2.027 -4.988 -6.388 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.765 -5.021 -5.133 1.00 0.00 H new ATOM 39 N GLU A 3 4.126 -4.246 -5.191 1.00 0.00 N ATOM 40 CA GLU A 3 5.515 -4.713 -5.477 1.00 0.00 C ATOM 41 C GLU A 3 6.094 -4.239 -6.843 1.00 0.00 C ATOM 42 O GLU A 3 7.316 -4.228 -7.015 1.00 0.00 O ATOM 43 CB GLU A 3 5.571 -6.264 -5.429 1.00 0.00 C ATOM 44 CG GLU A 3 5.264 -6.888 -4.059 1.00 0.00 C ATOM 45 CD GLU A 3 5.327 -8.427 -4.084 1.00 0.00 C ATOM 46 OE1 GLU A 3 6.441 -8.991 -4.020 1.00 0.00 O ATOM 47 OE2 GLU A 3 4.269 -9.080 -4.187 1.00 0.00 O ATOM 0 H GLU A 3 3.506 -5.001 -4.897 1.00 0.00 H new ATOM 0 HA GLU A 3 6.134 -4.261 -4.702 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.863 -6.660 -6.157 1.00 0.00 H new ATOM 0 HB3 GLU A 3 6.564 -6.586 -5.742 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.975 -6.510 -3.324 1.00 0.00 H new ATOM 0 HG3 GLU A 3 4.272 -6.573 -3.734 1.00 0.00 H new ATOM 54 N GLU A 4 5.221 -3.868 -7.794 1.00 0.00 N ATOM 55 CA GLU A 4 5.629 -3.446 -9.148 1.00 0.00 C ATOM 56 C GLU A 4 6.211 -2.011 -9.129 1.00 0.00 C ATOM 57 O GLU A 4 7.347 -1.785 -9.570 1.00 0.00 O ATOM 58 CB GLU A 4 4.424 -3.576 -10.118 1.00 0.00 C ATOM 59 CG GLU A 4 3.778 -4.981 -10.107 1.00 0.00 C ATOM 60 CD GLU A 4 2.754 -5.204 -11.231 1.00 0.00 C ATOM 61 OE1 GLU A 4 1.570 -4.859 -11.054 1.00 0.00 O ATOM 62 OE2 GLU A 4 3.140 -5.722 -12.303 1.00 0.00 O ATOM 0 H GLU A 4 4.212 -3.852 -7.648 1.00 0.00 H new ATOM 0 HA GLU A 4 6.424 -4.100 -9.506 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.670 -2.835 -9.851 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.755 -3.344 -11.130 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.564 -5.732 -10.190 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.288 -5.137 -9.146 1.00 0.00 H new ATOM 69 N GLU A 5 5.432 -1.063 -8.578 1.00 0.00 N ATOM 70 CA GLU A 5 5.856 0.352 -8.417 1.00 0.00 C ATOM 71 C GLU A 5 6.882 0.475 -7.271 1.00 0.00 C ATOM 72 O GLU A 5 7.723 1.372 -7.258 1.00 0.00 O ATOM 73 CB GLU A 5 4.620 1.263 -8.158 1.00 0.00 C ATOM 74 CG GLU A 5 3.929 1.037 -6.797 1.00 0.00 C ATOM 75 CD GLU A 5 2.596 1.780 -6.651 1.00 0.00 C ATOM 76 OE1 GLU A 5 2.611 3.015 -6.486 1.00 0.00 O ATOM 77 OE2 GLU A 5 1.534 1.119 -6.668 1.00 0.00 O ATOM 0 H GLU A 5 4.491 -1.249 -8.230 1.00 0.00 H new ATOM 0 HA GLU A 5 6.333 0.683 -9.339 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.933 2.305 -8.223 1.00 0.00 H new ATOM 0 HB3 GLU A 5 3.892 1.099 -8.952 1.00 0.00 H new ATOM 0 HG2 GLU A 5 3.757 -0.031 -6.660 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.602 1.356 -6.001 1.00 0.00 H new ATOM 84 N MET A 6 6.759 -0.437 -6.292 1.00 0.00 N ATOM 85 CA MET A 6 7.683 -0.563 -5.153 1.00 0.00 C ATOM 86 C MET A 6 9.033 -1.141 -5.628 1.00 0.00 C ATOM 87 O MET A 6 10.074 -0.860 -5.034 1.00 0.00 O ATOM 88 CB MET A 6 7.039 -1.478 -4.081 1.00 0.00 C ATOM 89 CG MET A 6 7.873 -1.716 -2.815 1.00 0.00 C ATOM 90 SD MET A 6 7.101 -2.913 -1.702 1.00 0.00 S ATOM 91 CE MET A 6 5.580 -2.085 -1.241 1.00 0.00 C ATOM 0 H MET A 6 6.001 -1.119 -6.270 1.00 0.00 H new ATOM 0 HA MET A 6 7.871 0.419 -4.718 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.083 -1.044 -3.787 1.00 0.00 H new ATOM 0 HB3 MET A 6 6.823 -2.444 -4.538 1.00 0.00 H new ATOM 0 HG2 MET A 6 8.864 -2.071 -3.097 1.00 0.00 H new ATOM 0 HG3 MET A 6 8.011 -0.771 -2.290 1.00 0.00 H new ATOM 0 HE1 MET A 6 5.463 -2.115 -0.158 1.00 0.00 H new ATOM 0 HE2 MET A 6 5.615 -1.048 -1.574 1.00 0.00 H new ATOM 0 HE3 MET A 6 4.735 -2.588 -1.711 1.00 0.00 H new ATOM 101 N GLY A 7 8.984 -1.955 -6.706 1.00 0.00 N ATOM 102 CA GLY A 7 10.186 -2.448 -7.384 1.00 0.00 C ATOM 103 C GLY A 7 10.863 -1.354 -8.200 1.00 0.00 C ATOM 104 O GLY A 7 12.086 -1.357 -8.374 1.00 0.00 O ATOM 0 H GLY A 7 8.112 -2.282 -7.122 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.887 -2.837 -6.645 1.00 0.00 H new ATOM 0 HA3 GLY A 7 9.920 -3.278 -8.039 1.00 0.00 H new ATOM 108 N THR A 8 10.043 -0.410 -8.697 1.00 0.00 N ATOM 109 CA THR A 8 10.524 0.799 -9.383 1.00 0.00 C ATOM 110 C THR A 8 11.144 1.775 -8.353 1.00 0.00 C ATOM 111 O THR A 8 12.072 2.515 -8.680 1.00 0.00 O ATOM 112 CB THR A 8 9.351 1.508 -10.150 1.00 0.00 C ATOM 113 OG1 THR A 8 8.572 0.534 -10.860 1.00 0.00 O ATOM 114 CG2 THR A 8 9.852 2.575 -11.149 1.00 0.00 C ATOM 0 H THR A 8 9.027 -0.466 -8.633 1.00 0.00 H new ATOM 0 HA THR A 8 11.283 0.506 -10.108 1.00 0.00 H new ATOM 0 HB THR A 8 8.744 2.013 -9.399 1.00 0.00 H new ATOM 0 HG1 THR A 8 8.131 -0.062 -10.219 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.999 3.033 -11.651 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.412 3.341 -10.613 1.00 0.00 H new ATOM 0 HG23 THR A 8 10.499 2.105 -11.889 1.00 0.00 H new ATOM 122 N ALA A 9 10.599 1.756 -7.109 1.00 0.00 N ATOM 123 CA ALA A 9 11.102 2.570 -5.978 1.00 0.00 C ATOM 124 C ALA A 9 12.411 1.985 -5.443 1.00 0.00 C ATOM 125 O ALA A 9 13.328 2.720 -5.096 1.00 0.00 O ATOM 126 CB ALA A 9 10.040 2.669 -4.865 1.00 0.00 C ATOM 0 H ALA A 9 9.798 1.174 -6.865 1.00 0.00 H new ATOM 0 HA ALA A 9 11.303 3.579 -6.337 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.429 3.271 -4.044 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.139 3.136 -5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.800 1.670 -4.501 1.00 0.00 H new ATOM 132 N LYS A 10 12.477 0.651 -5.423 1.00 0.00 N ATOM 133 CA LYS A 10 13.674 -0.116 -5.034 1.00 0.00 C ATOM 134 C LYS A 10 14.845 0.223 -5.973 1.00 0.00 C ATOM 135 O LYS A 10 15.924 0.643 -5.529 1.00 0.00 O ATOM 136 CB LYS A 10 13.336 -1.629 -5.105 1.00 0.00 C ATOM 137 CG LYS A 10 14.548 -2.576 -5.011 1.00 0.00 C ATOM 138 CD LYS A 10 14.171 -4.047 -5.297 1.00 0.00 C ATOM 139 CE LYS A 10 15.400 -4.974 -5.347 1.00 0.00 C ATOM 140 NZ LYS A 10 15.030 -6.388 -5.595 1.00 0.00 N ATOM 0 H LYS A 10 11.688 0.058 -5.681 1.00 0.00 H new ATOM 0 HA LYS A 10 13.971 0.143 -4.018 1.00 0.00 H new ATOM 0 HB2 LYS A 10 12.644 -1.869 -4.298 1.00 0.00 H new ATOM 0 HB3 LYS A 10 12.814 -1.825 -6.041 1.00 0.00 H new ATOM 0 HG2 LYS A 10 15.312 -2.255 -5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 10 14.986 -2.503 -4.016 1.00 0.00 H new ATOM 0 HD2 LYS A 10 13.486 -4.399 -4.526 1.00 0.00 H new ATOM 0 HD3 LYS A 10 13.639 -4.104 -6.246 1.00 0.00 H new ATOM 0 HE2 LYS A 10 16.076 -4.635 -6.132 1.00 0.00 H new ATOM 0 HE3 LYS A 10 15.944 -4.903 -4.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 15.890 -6.973 -5.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 14.406 -6.722 -4.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 14.534 -6.462 -6.506 1.00 0.00 H new ATOM 154 N LYS A 11 14.579 0.055 -7.282 1.00 0.00 N ATOM 155 CA LYS A 11 15.542 0.356 -8.345 1.00 0.00 C ATOM 156 C LYS A 11 15.788 1.878 -8.442 1.00 0.00 C ATOM 157 O LYS A 11 16.868 2.302 -8.838 1.00 0.00 O ATOM 158 CB LYS A 11 15.048 -0.210 -9.707 1.00 0.00 C ATOM 159 CG LYS A 11 16.006 0.059 -10.893 1.00 0.00 C ATOM 160 CD LYS A 11 17.396 -0.613 -10.725 1.00 0.00 C ATOM 161 CE LYS A 11 18.482 0.041 -11.603 1.00 0.00 C ATOM 162 NZ LYS A 11 18.070 0.147 -13.029 1.00 0.00 N ATOM 0 H LYS A 11 13.685 -0.295 -7.628 1.00 0.00 H new ATOM 0 HA LYS A 11 16.488 -0.126 -8.098 1.00 0.00 H new ATOM 0 HB2 LYS A 11 14.903 -1.286 -9.609 1.00 0.00 H new ATOM 0 HB3 LYS A 11 14.074 0.223 -9.936 1.00 0.00 H new ATOM 0 HG2 LYS A 11 15.545 -0.301 -11.812 1.00 0.00 H new ATOM 0 HG3 LYS A 11 16.141 1.135 -11.005 1.00 0.00 H new ATOM 0 HD2 LYS A 11 17.698 -0.558 -9.679 1.00 0.00 H new ATOM 0 HD3 LYS A 11 17.317 -1.670 -10.979 1.00 0.00 H new ATOM 0 HE2 LYS A 11 18.707 1.035 -11.218 1.00 0.00 H new ATOM 0 HE3 LYS A 11 19.400 -0.542 -11.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 18.830 -0.218 -13.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 17.205 -0.410 -13.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 17.887 1.143 -13.264 1.00 0.00 H new ATOM 176 N GLY A 12 14.778 2.676 -8.060 1.00 0.00 N ATOM 177 CA GLY A 12 14.900 4.135 -8.011 1.00 0.00 C ATOM 178 C GLY A 12 15.944 4.589 -7.005 1.00 0.00 C ATOM 179 O GLY A 12 16.805 5.411 -7.315 1.00 0.00 O ATOM 0 H GLY A 12 13.862 2.327 -7.779 1.00 0.00 H new ATOM 0 HA2 GLY A 12 15.164 4.509 -9.000 1.00 0.00 H new ATOM 0 HA3 GLY A 12 13.935 4.570 -7.752 1.00 0.00 H new ATOM 183 N LEU A 13 15.877 4.007 -5.798 1.00 0.00 N ATOM 184 CA LEU A 13 16.825 4.289 -4.697 1.00 0.00 C ATOM 185 C LEU A 13 18.231 3.733 -5.033 1.00 0.00 C ATOM 186 O LEU A 13 19.243 4.295 -4.610 1.00 0.00 O ATOM 187 CB LEU A 13 16.273 3.709 -3.359 1.00 0.00 C ATOM 188 CG LEU A 13 14.899 4.306 -2.890 1.00 0.00 C ATOM 189 CD1 LEU A 13 14.339 3.597 -1.644 1.00 0.00 C ATOM 190 CD2 LEU A 13 15.002 5.818 -2.653 1.00 0.00 C ATOM 0 H LEU A 13 15.161 3.323 -5.552 1.00 0.00 H new ATOM 0 HA LEU A 13 16.927 5.368 -4.577 1.00 0.00 H new ATOM 0 HB2 LEU A 13 16.165 2.630 -3.466 1.00 0.00 H new ATOM 0 HB3 LEU A 13 17.011 3.879 -2.575 1.00 0.00 H new ATOM 0 HG LEU A 13 14.193 4.129 -3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.388 4.050 -1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.186 2.540 -1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 13 15.045 3.697 -0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 13 14.035 6.202 -2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 13 15.747 6.016 -1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 13 15.297 6.312 -3.579 1.00 0.00 H new ATOM 202 N LEU A 14 18.258 2.648 -5.838 1.00 0.00 N ATOM 203 CA LEU A 14 19.504 2.038 -6.362 1.00 0.00 C ATOM 204 C LEU A 14 20.153 2.978 -7.408 1.00 0.00 C ATOM 205 O LEU A 14 21.361 3.191 -7.398 1.00 0.00 O ATOM 206 CB LEU A 14 19.175 0.631 -6.988 1.00 0.00 C ATOM 207 CG LEU A 14 20.341 -0.422 -7.114 1.00 0.00 C ATOM 208 CD1 LEU A 14 19.786 -1.824 -7.468 1.00 0.00 C ATOM 209 CD2 LEU A 14 21.433 -0.014 -8.128 1.00 0.00 C ATOM 0 H LEU A 14 17.413 2.167 -6.145 1.00 0.00 H new ATOM 0 HA LEU A 14 20.216 1.897 -5.549 1.00 0.00 H new ATOM 0 HB2 LEU A 14 18.382 0.179 -6.392 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.768 0.798 -7.985 1.00 0.00 H new ATOM 0 HG LEU A 14 20.817 -0.455 -6.134 1.00 0.00 H new ATOM 0 HD11 LEU A 14 20.611 -2.532 -7.549 1.00 0.00 H new ATOM 0 HD12 LEU A 14 19.101 -2.152 -6.686 1.00 0.00 H new ATOM 0 HD13 LEU A 14 19.255 -1.776 -8.418 1.00 0.00 H new ATOM 0 HD21 LEU A 14 22.203 -0.785 -8.163 1.00 0.00 H new ATOM 0 HD22 LEU A 14 20.988 0.099 -9.116 1.00 0.00 H new ATOM 0 HD23 LEU A 14 21.880 0.932 -7.821 1.00 0.00 H new ATOM 221 N GLU A 15 19.328 3.537 -8.287 1.00 0.00 N ATOM 222 CA GLU A 15 19.785 4.295 -9.465 1.00 0.00 C ATOM 223 C GLU A 15 20.234 5.713 -9.062 1.00 0.00 C ATOM 224 O GLU A 15 21.369 6.124 -9.321 1.00 0.00 O ATOM 225 CB GLU A 15 18.635 4.367 -10.508 1.00 0.00 C ATOM 226 CG GLU A 15 19.045 4.848 -11.913 1.00 0.00 C ATOM 227 CD GLU A 15 19.935 3.838 -12.670 1.00 0.00 C ATOM 228 OE1 GLU A 15 19.392 2.888 -13.278 1.00 0.00 O ATOM 229 OE2 GLU A 15 21.173 3.996 -12.679 1.00 0.00 O ATOM 0 H GLU A 15 18.313 3.481 -8.208 1.00 0.00 H new ATOM 0 HA GLU A 15 20.642 3.785 -9.905 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.187 3.378 -10.598 1.00 0.00 H new ATOM 0 HB3 GLU A 15 17.862 5.034 -10.126 1.00 0.00 H new ATOM 0 HG2 GLU A 15 18.147 5.041 -12.500 1.00 0.00 H new ATOM 0 HG3 GLU A 15 19.577 5.795 -11.824 1.00 0.00 H new ATOM 236 N HIS A 16 19.322 6.428 -8.387 1.00 0.00 N ATOM 237 CA HIS A 16 19.469 7.868 -8.067 1.00 0.00 C ATOM 238 C HIS A 16 20.159 8.093 -6.704 1.00 0.00 C ATOM 239 O HIS A 16 20.474 9.236 -6.351 1.00 0.00 O ATOM 240 CB HIS A 16 18.077 8.548 -8.079 1.00 0.00 C ATOM 241 CG HIS A 16 17.313 8.411 -9.376 1.00 0.00 C ATOM 242 ND1 HIS A 16 17.410 9.320 -10.407 1.00 0.00 N ATOM 243 CD2 HIS A 16 16.437 7.463 -9.804 1.00 0.00 C ATOM 244 CE1 HIS A 16 16.628 8.942 -11.401 1.00 0.00 C ATOM 245 NE2 HIS A 16 16.030 7.820 -11.062 1.00 0.00 N ATOM 0 H HIS A 16 18.451 6.025 -8.042 1.00 0.00 H new ATOM 0 HA HIS A 16 20.106 8.316 -8.830 1.00 0.00 H new ATOM 0 HB2 HIS A 16 17.476 8.126 -7.274 1.00 0.00 H new ATOM 0 HB3 HIS A 16 18.205 9.608 -7.860 1.00 0.00 H new ATOM 0 HD2 HIS A 16 16.121 6.589 -9.253 1.00 0.00 H new ATOM 0 HE1 HIS A 16 16.500 9.466 -12.337 1.00 0.00 H new ATOM 0 HE2 HIS A 16 15.371 7.301 -11.642 1.00 0.00 H new ATOM 254 N GLY A 17 20.362 7.005 -5.938 1.00 0.00 N ATOM 255 CA GLY A 17 21.072 7.065 -4.654 1.00 0.00 C ATOM 256 C GLY A 17 20.284 7.798 -3.556 1.00 0.00 C ATOM 257 O GLY A 17 20.850 8.622 -2.825 1.00 0.00 O ATOM 0 H GLY A 17 20.041 6.071 -6.191 1.00 0.00 H new ATOM 0 HA2 GLY A 17 21.290 6.051 -4.320 1.00 0.00 H new ATOM 0 HA3 GLY A 17 22.030 7.565 -4.799 1.00 0.00 H new ATOM 261 N ARG A 18 18.965 7.500 -3.471 1.00 0.00 N ATOM 262 CA ARG A 18 18.027 8.077 -2.459 1.00 0.00 C ATOM 263 C ARG A 18 17.914 9.621 -2.526 1.00 0.00 C ATOM 264 O ARG A 18 17.552 10.265 -1.532 1.00 0.00 O ATOM 265 CB ARG A 18 18.389 7.615 -1.012 1.00 0.00 C ATOM 266 CG ARG A 18 18.286 6.091 -0.774 1.00 0.00 C ATOM 267 CD ARG A 18 18.473 5.713 0.705 1.00 0.00 C ATOM 268 NE ARG A 18 19.767 6.170 1.243 1.00 0.00 N ATOM 269 CZ ARG A 18 20.290 5.812 2.424 1.00 0.00 C ATOM 270 NH1 ARG A 18 19.671 4.938 3.215 1.00 0.00 N ATOM 271 NH2 ARG A 18 21.445 6.334 2.810 1.00 0.00 N ATOM 0 H ARG A 18 18.510 6.845 -4.108 1.00 0.00 H new ATOM 0 HA ARG A 18 17.044 7.683 -2.718 1.00 0.00 H new ATOM 0 HB2 ARG A 18 19.406 7.936 -0.787 1.00 0.00 H new ATOM 0 HB3 ARG A 18 17.731 8.124 -0.308 1.00 0.00 H new ATOM 0 HG2 ARG A 18 17.313 5.738 -1.116 1.00 0.00 H new ATOM 0 HG3 ARG A 18 19.039 5.581 -1.374 1.00 0.00 H new ATOM 0 HD2 ARG A 18 17.664 6.147 1.293 1.00 0.00 H new ATOM 0 HD3 ARG A 18 18.400 4.631 0.813 1.00 0.00 H new ATOM 0 HE ARG A 18 20.311 6.813 0.668 1.00 0.00 H new ATOM 0 HH11 ARG A 18 18.783 4.528 2.926 1.00 0.00 H new ATOM 0 HH12 ARG A 18 20.085 4.678 4.110 1.00 0.00 H new ATOM 0 HH21 ARG A 18 21.928 7.002 2.210 1.00 0.00 H new ATOM 0 HH22 ARG A 18 21.851 6.068 3.707 1.00 0.00 H new ATOM 285 N ASN A 19 18.210 10.204 -3.705 1.00 0.00 N ATOM 286 CA ASN A 19 17.934 11.630 -3.976 1.00 0.00 C ATOM 287 C ASN A 19 16.407 11.804 -4.079 1.00 0.00 C ATOM 288 O ASN A 19 15.835 11.590 -5.148 1.00 0.00 O ATOM 289 CB ASN A 19 18.665 12.091 -5.282 1.00 0.00 C ATOM 290 CG ASN A 19 18.389 13.551 -5.686 1.00 0.00 C ATOM 291 OD1 ASN A 19 18.104 14.407 -4.847 1.00 0.00 O ATOM 292 ND2 ASN A 19 18.492 13.844 -6.976 1.00 0.00 N ATOM 0 H ASN A 19 18.641 9.709 -4.486 1.00 0.00 H new ATOM 0 HA ASN A 19 18.314 12.257 -3.169 1.00 0.00 H new ATOM 0 HB2 ASN A 19 19.739 11.961 -5.147 1.00 0.00 H new ATOM 0 HB3 ASN A 19 18.365 11.438 -6.101 1.00 0.00 H new ATOM 0 HD21 ASN A 19 18.334 14.799 -7.296 1.00 0.00 H new ATOM 0 HD22 ASN A 19 18.730 13.114 -7.647 1.00 0.00 H new ATOM 299 N TRP A 20 15.760 12.148 -2.939 1.00 0.00 N ATOM 300 CA TRP A 20 14.281 12.072 -2.767 1.00 0.00 C ATOM 301 C TRP A 20 13.522 12.948 -3.775 1.00 0.00 C ATOM 302 O TRP A 20 12.367 12.665 -4.092 1.00 0.00 O ATOM 303 CB TRP A 20 13.865 12.463 -1.327 1.00 0.00 C ATOM 304 CG TRP A 20 14.566 11.685 -0.238 1.00 0.00 C ATOM 305 CD1 TRP A 20 15.427 12.178 0.709 1.00 0.00 C ATOM 306 CD2 TRP A 20 14.476 10.270 0.007 1.00 0.00 C ATOM 307 NE1 TRP A 20 15.873 11.168 1.515 1.00 0.00 N ATOM 308 CE2 TRP A 20 15.305 9.989 1.107 1.00 0.00 C ATOM 309 CE3 TRP A 20 13.763 9.218 -0.592 1.00 0.00 C ATOM 310 CZ2 TRP A 20 15.464 8.703 1.609 1.00 0.00 C ATOM 311 CZ3 TRP A 20 13.923 7.942 -0.088 1.00 0.00 C ATOM 312 CH2 TRP A 20 14.765 7.699 1.003 1.00 0.00 C ATOM 0 H TRP A 20 16.246 12.487 -2.109 1.00 0.00 H new ATOM 0 HA TRP A 20 14.008 11.033 -2.955 1.00 0.00 H new ATOM 0 HB2 TRP A 20 14.062 13.525 -1.181 1.00 0.00 H new ATOM 0 HB3 TRP A 20 12.789 12.321 -1.222 1.00 0.00 H new ATOM 0 HD1 TRP A 20 15.712 13.215 0.804 1.00 0.00 H new ATOM 0 HE1 TRP A 20 16.523 11.274 2.294 1.00 0.00 H new ATOM 0 HE3 TRP A 20 13.105 9.403 -1.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 16.116 8.505 2.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 13.390 7.120 -0.543 1.00 0.00 H new ATOM 0 HH2 TRP A 20 14.865 6.690 1.376 1.00 0.00 H new ATOM 323 N SER A 21 14.183 14.018 -4.240 1.00 0.00 N ATOM 324 CA SER A 21 13.663 14.897 -5.299 1.00 0.00 C ATOM 325 C SER A 21 13.426 14.097 -6.598 1.00 0.00 C ATOM 326 O SER A 21 12.359 14.191 -7.216 1.00 0.00 O ATOM 327 CB SER A 21 14.666 16.040 -5.540 1.00 0.00 C ATOM 328 OG SER A 21 14.973 16.723 -4.330 1.00 0.00 O ATOM 0 H SER A 21 15.099 14.300 -3.890 1.00 0.00 H new ATOM 0 HA SER A 21 12.707 15.316 -4.987 1.00 0.00 H new ATOM 0 HB2 SER A 21 15.581 15.638 -5.975 1.00 0.00 H new ATOM 0 HB3 SER A 21 14.252 16.744 -6.262 1.00 0.00 H new ATOM 0 HG SER A 21 15.613 17.442 -4.514 1.00 0.00 H new ATOM 334 N ALA A 22 14.433 13.285 -6.959 1.00 0.00 N ATOM 335 CA ALA A 22 14.410 12.431 -8.160 1.00 0.00 C ATOM 336 C ALA A 22 13.461 11.225 -7.988 1.00 0.00 C ATOM 337 O ALA A 22 12.763 10.844 -8.930 1.00 0.00 O ATOM 338 CB ALA A 22 15.835 11.946 -8.491 1.00 0.00 C ATOM 0 H ALA A 22 15.295 13.201 -6.420 1.00 0.00 H new ATOM 0 HA ALA A 22 14.031 13.031 -8.987 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.808 11.316 -9.380 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.478 12.806 -8.676 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.228 11.373 -7.652 1.00 0.00 H new ATOM 344 N ILE A 23 13.439 10.644 -6.767 1.00 0.00 N ATOM 345 CA ILE A 23 12.676 9.403 -6.479 1.00 0.00 C ATOM 346 C ILE A 23 11.172 9.693 -6.500 1.00 0.00 C ATOM 347 O ILE A 23 10.420 9.037 -7.209 1.00 0.00 O ATOM 348 CB ILE A 23 13.039 8.763 -5.080 1.00 0.00 C ATOM 349 CG1 ILE A 23 14.577 8.689 -4.863 1.00 0.00 C ATOM 350 CG2 ILE A 23 12.402 7.352 -4.943 1.00 0.00 C ATOM 351 CD1 ILE A 23 15.318 7.842 -5.865 1.00 0.00 C ATOM 0 H ILE A 23 13.942 11.015 -5.961 1.00 0.00 H new ATOM 0 HA ILE A 23 12.950 8.691 -7.257 1.00 0.00 H new ATOM 0 HB ILE A 23 12.628 9.411 -4.306 1.00 0.00 H new ATOM 0 HG12 ILE A 23 14.983 9.700 -4.893 1.00 0.00 H new ATOM 0 HG13 ILE A 23 14.770 8.297 -3.864 1.00 0.00 H new ATOM 0 HG21 ILE A 23 12.663 6.928 -3.974 1.00 0.00 H new ATOM 0 HG22 ILE A 23 11.318 7.433 -5.024 1.00 0.00 H new ATOM 0 HG23 ILE A 23 12.778 6.705 -5.735 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.383 7.851 -5.632 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.946 6.818 -5.822 1.00 0.00 H new ATOM 0 HD13 ILE A 23 15.162 8.243 -6.866 1.00 0.00 H new ATOM 363 N ALA A 24 10.760 10.701 -5.730 1.00 0.00 N ATOM 364 CA ALA A 24 9.344 11.088 -5.593 1.00 0.00 C ATOM 365 C ALA A 24 8.772 11.629 -6.914 1.00 0.00 C ATOM 366 O ALA A 24 7.568 11.627 -7.098 1.00 0.00 O ATOM 367 CB ALA A 24 9.175 12.103 -4.463 1.00 0.00 C ATOM 0 H ALA A 24 11.396 11.278 -5.180 1.00 0.00 H new ATOM 0 HA ALA A 24 8.776 10.193 -5.340 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.124 12.378 -4.375 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.515 11.663 -3.525 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.766 12.993 -4.682 1.00 0.00 H new ATOM 373 N ARG A 25 9.651 12.102 -7.814 1.00 0.00 N ATOM 374 CA ARG A 25 9.259 12.546 -9.169 1.00 0.00 C ATOM 375 C ARG A 25 9.083 11.313 -10.087 1.00 0.00 C ATOM 376 O ARG A 25 8.159 11.262 -10.907 1.00 0.00 O ATOM 377 CB ARG A 25 10.340 13.539 -9.711 1.00 0.00 C ATOM 378 CG ARG A 25 9.984 14.356 -10.992 1.00 0.00 C ATOM 379 CD ARG A 25 10.154 13.585 -12.317 1.00 0.00 C ATOM 380 NE ARG A 25 9.937 14.450 -13.494 1.00 0.00 N ATOM 381 CZ ARG A 25 10.217 14.120 -14.764 1.00 0.00 C ATOM 382 NH1 ARG A 25 10.737 12.936 -15.071 1.00 0.00 N ATOM 383 NH2 ARG A 25 9.986 14.999 -15.730 1.00 0.00 N ATOM 0 H ARG A 25 10.650 12.188 -7.627 1.00 0.00 H new ATOM 0 HA ARG A 25 8.304 13.071 -9.142 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.578 14.245 -8.916 1.00 0.00 H new ATOM 0 HB3 ARG A 25 11.248 12.971 -9.915 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.951 14.695 -10.915 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.610 15.248 -11.023 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.156 13.158 -12.361 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.451 12.753 -12.345 1.00 0.00 H new ATOM 0 HE ARG A 25 9.541 15.375 -13.328 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.931 12.258 -14.334 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.942 12.706 -16.043 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.599 15.915 -15.504 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.195 14.759 -16.699 1.00 0.00 H new ATOM 397 N MET A 26 9.969 10.317 -9.915 1.00 0.00 N ATOM 398 CA MET A 26 10.022 9.105 -10.762 1.00 0.00 C ATOM 399 C MET A 26 8.868 8.134 -10.424 1.00 0.00 C ATOM 400 O MET A 26 8.008 7.857 -11.263 1.00 0.00 O ATOM 401 CB MET A 26 11.411 8.424 -10.536 1.00 0.00 C ATOM 402 CG MET A 26 11.653 7.063 -11.214 1.00 0.00 C ATOM 403 SD MET A 26 13.264 6.377 -10.738 1.00 0.00 S ATOM 404 CE MET A 26 13.208 4.714 -11.406 1.00 0.00 C ATOM 0 H MET A 26 10.676 10.327 -9.179 1.00 0.00 H new ATOM 0 HA MET A 26 9.903 9.379 -11.810 1.00 0.00 H new ATOM 0 HB2 MET A 26 12.183 9.113 -10.879 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.552 8.295 -9.463 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.861 6.368 -10.935 1.00 0.00 H new ATOM 0 HG3 MET A 26 11.609 7.179 -12.297 1.00 0.00 H new ATOM 0 HE1 MET A 26 14.222 4.325 -11.500 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.634 4.073 -10.738 1.00 0.00 H new ATOM 0 HE3 MET A 26 12.734 4.732 -12.387 1.00 0.00 H new ATOM 414 N VAL A 27 8.863 7.641 -9.178 1.00 0.00 N ATOM 415 CA VAL A 27 7.919 6.608 -8.701 1.00 0.00 C ATOM 416 C VAL A 27 6.623 7.214 -8.116 1.00 0.00 C ATOM 417 O VAL A 27 5.543 6.621 -8.236 1.00 0.00 O ATOM 418 CB VAL A 27 8.634 5.654 -7.669 1.00 0.00 C ATOM 419 CG1 VAL A 27 9.973 5.155 -8.269 1.00 0.00 C ATOM 420 CG2 VAL A 27 8.868 6.319 -6.284 1.00 0.00 C ATOM 0 H VAL A 27 9.520 7.949 -8.461 1.00 0.00 H new ATOM 0 HA VAL A 27 7.611 6.018 -9.564 1.00 0.00 H new ATOM 0 HB VAL A 27 7.968 4.810 -7.490 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.468 4.495 -7.556 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.777 4.610 -9.192 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.617 6.008 -8.481 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.363 5.611 -5.619 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.495 7.202 -6.406 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.910 6.611 -5.854 1.00 0.00 H new ATOM 430 N GLY A 28 6.763 8.373 -7.448 1.00 0.00 N ATOM 431 CA GLY A 28 5.634 9.075 -6.830 1.00 0.00 C ATOM 432 C GLY A 28 4.858 9.943 -7.823 1.00 0.00 C ATOM 433 O GLY A 28 3.619 10.007 -7.772 1.00 0.00 O ATOM 0 H GLY A 28 7.659 8.844 -7.324 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.957 8.345 -6.387 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.003 9.702 -6.018 1.00 0.00 H new ATOM 437 N SER A 29 5.624 10.620 -8.716 1.00 0.00 N ATOM 438 CA SER A 29 5.124 11.661 -9.648 1.00 0.00 C ATOM 439 C SER A 29 4.510 12.860 -8.865 1.00 0.00 C ATOM 440 O SER A 29 3.601 13.543 -9.348 1.00 0.00 O ATOM 441 CB SER A 29 4.147 11.051 -10.689 1.00 0.00 C ATOM 442 OG SER A 29 3.814 11.984 -11.703 1.00 0.00 O ATOM 0 H SER A 29 6.626 10.454 -8.809 1.00 0.00 H new ATOM 0 HA SER A 29 5.967 12.060 -10.213 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.600 10.169 -11.141 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.238 10.720 -10.186 1.00 0.00 H new ATOM 0 HG SER A 29 3.695 12.871 -11.305 1.00 0.00 H new ATOM 448 N LYS A 30 5.064 13.134 -7.665 1.00 0.00 N ATOM 449 CA LYS A 30 4.538 14.146 -6.728 1.00 0.00 C ATOM 450 C LYS A 30 5.698 14.702 -5.861 1.00 0.00 C ATOM 451 O LYS A 30 6.862 14.352 -6.084 1.00 0.00 O ATOM 452 CB LYS A 30 3.408 13.481 -5.862 1.00 0.00 C ATOM 453 CG LYS A 30 2.449 14.446 -5.117 1.00 0.00 C ATOM 454 CD LYS A 30 1.691 15.440 -6.048 1.00 0.00 C ATOM 455 CE LYS A 30 0.613 14.790 -6.954 1.00 0.00 C ATOM 456 NZ LYS A 30 1.180 13.940 -8.040 1.00 0.00 N ATOM 0 H LYS A 30 5.895 12.655 -7.318 1.00 0.00 H new ATOM 0 HA LYS A 30 4.105 14.991 -7.263 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.811 12.842 -6.513 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.881 12.833 -5.124 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.719 13.857 -4.562 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.022 15.016 -4.385 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.215 16.203 -5.431 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.418 15.949 -6.681 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.050 14.183 -6.337 1.00 0.00 H new ATOM 0 HE3 LYS A 30 0.003 15.576 -7.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.658 14.112 -8.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.183 14.177 -8.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.094 12.938 -7.777 1.00 0.00 H new ATOM 470 N THR A 31 5.369 15.595 -4.910 1.00 0.00 N ATOM 471 CA THR A 31 6.298 16.149 -3.901 1.00 0.00 C ATOM 472 C THR A 31 7.107 15.051 -3.150 1.00 0.00 C ATOM 473 O THR A 31 6.650 13.908 -3.024 1.00 0.00 O ATOM 474 CB THR A 31 5.462 17.006 -2.879 1.00 0.00 C ATOM 475 OG1 THR A 31 4.767 18.042 -3.587 1.00 0.00 O ATOM 476 CG2 THR A 31 6.297 17.645 -1.747 1.00 0.00 C ATOM 0 H THR A 31 4.422 15.964 -4.817 1.00 0.00 H new ATOM 0 HA THR A 31 7.034 16.765 -4.418 1.00 0.00 H new ATOM 0 HB THR A 31 4.773 16.312 -2.398 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.244 18.577 -2.954 1.00 0.00 H new ATOM 0 HG21 THR A 31 5.642 18.217 -1.090 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.792 16.861 -1.173 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.047 18.308 -2.178 1.00 0.00 H new ATOM 484 N VAL A 32 8.306 15.447 -2.656 1.00 0.00 N ATOM 485 CA VAL A 32 9.241 14.590 -1.885 1.00 0.00 C ATOM 486 C VAL A 32 8.525 13.751 -0.797 1.00 0.00 C ATOM 487 O VAL A 32 8.842 12.566 -0.627 1.00 0.00 O ATOM 488 CB VAL A 32 10.387 15.475 -1.253 1.00 0.00 C ATOM 489 CG1 VAL A 32 11.232 14.719 -0.188 1.00 0.00 C ATOM 490 CG2 VAL A 32 11.302 16.055 -2.368 1.00 0.00 C ATOM 0 H VAL A 32 8.659 16.395 -2.786 1.00 0.00 H new ATOM 0 HA VAL A 32 9.680 13.877 -2.583 1.00 0.00 H new ATOM 0 HB VAL A 32 9.893 16.293 -0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.001 15.384 0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.584 14.392 0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.704 13.851 -0.648 1.00 0.00 H new ATOM 0 HG21 VAL A 32 12.086 16.662 -1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 32 11.754 15.237 -2.929 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.708 16.673 -3.042 1.00 0.00 H new ATOM 500 N SER A 33 7.529 14.374 -0.134 1.00 0.00 N ATOM 501 CA SER A 33 6.740 13.774 0.966 1.00 0.00 C ATOM 502 C SER A 33 6.178 12.368 0.630 1.00 0.00 C ATOM 503 O SER A 33 6.163 11.491 1.498 1.00 0.00 O ATOM 504 CB SER A 33 5.590 14.739 1.338 1.00 0.00 C ATOM 505 OG SER A 33 6.087 16.026 1.670 1.00 0.00 O ATOM 0 H SER A 33 7.243 15.329 -0.352 1.00 0.00 H new ATOM 0 HA SER A 33 7.413 13.630 1.811 1.00 0.00 H new ATOM 0 HB2 SER A 33 4.895 14.819 0.503 1.00 0.00 H new ATOM 0 HB3 SER A 33 5.030 14.334 2.181 1.00 0.00 H new ATOM 0 HG SER A 33 5.339 16.616 1.899 1.00 0.00 H new ATOM 511 N GLN A 34 5.744 12.166 -0.636 1.00 0.00 N ATOM 512 CA GLN A 34 5.137 10.890 -1.099 1.00 0.00 C ATOM 513 C GLN A 34 6.083 9.684 -0.870 1.00 0.00 C ATOM 514 O GLN A 34 5.686 8.675 -0.270 1.00 0.00 O ATOM 515 CB GLN A 34 4.729 10.995 -2.599 1.00 0.00 C ATOM 516 CG GLN A 34 4.036 9.745 -3.193 1.00 0.00 C ATOM 517 CD GLN A 34 2.736 9.350 -2.471 1.00 0.00 C ATOM 518 OE1 GLN A 34 1.655 9.825 -2.816 1.00 0.00 O ATOM 519 NE2 GLN A 34 2.838 8.476 -1.470 1.00 0.00 N ATOM 0 H GLN A 34 5.803 12.878 -1.364 1.00 0.00 H new ATOM 0 HA GLN A 34 4.241 10.716 -0.503 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.061 11.849 -2.716 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.623 11.206 -3.186 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.814 9.930 -4.244 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.730 8.905 -3.156 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.751 8.102 -1.210 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.003 8.181 -0.963 1.00 0.00 H new ATOM 528 N CYS A 35 7.333 9.813 -1.336 1.00 0.00 N ATOM 529 CA CYS A 35 8.352 8.744 -1.208 1.00 0.00 C ATOM 530 C CYS A 35 9.041 8.778 0.171 1.00 0.00 C ATOM 531 O CYS A 35 9.436 7.732 0.702 1.00 0.00 O ATOM 532 CB CYS A 35 9.414 8.873 -2.311 1.00 0.00 C ATOM 533 SG CYS A 35 10.713 7.620 -2.223 1.00 0.00 S ATOM 0 H CYS A 35 7.671 10.651 -1.809 1.00 0.00 H new ATOM 0 HA CYS A 35 7.833 7.791 -1.312 1.00 0.00 H new ATOM 0 HB2 CYS A 35 8.925 8.808 -3.283 1.00 0.00 H new ATOM 0 HB3 CYS A 35 9.870 9.861 -2.249 1.00 0.00 H new ATOM 0 HG CYS A 35 11.711 8.078 -1.527 1.00 0.00 H new ATOM 539 N LYS A 36 9.181 9.997 0.733 1.00 0.00 N ATOM 540 CA LYS A 36 9.936 10.242 1.984 1.00 0.00 C ATOM 541 C LYS A 36 9.249 9.500 3.149 1.00 0.00 C ATOM 542 O LYS A 36 9.907 8.780 3.903 1.00 0.00 O ATOM 543 CB LYS A 36 10.035 11.787 2.265 1.00 0.00 C ATOM 544 CG LYS A 36 11.288 12.281 3.044 1.00 0.00 C ATOM 545 CD LYS A 36 11.406 11.762 4.497 1.00 0.00 C ATOM 546 CE LYS A 36 10.210 12.145 5.399 1.00 0.00 C ATOM 547 NZ LYS A 36 10.068 13.610 5.580 1.00 0.00 N ATOM 0 H LYS A 36 8.774 10.842 0.333 1.00 0.00 H new ATOM 0 HA LYS A 36 10.952 9.860 1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.003 12.309 1.309 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.148 12.088 2.823 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.180 11.981 2.494 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.278 13.371 3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.501 10.676 4.478 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.322 12.154 4.939 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.293 11.747 4.965 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.332 11.674 6.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.251 13.807 6.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.930 13.991 6.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 9.923 14.062 4.654 1.00 0.00 H new ATOM 561 N ASN A 37 7.919 9.702 3.275 1.00 0.00 N ATOM 562 CA ASN A 37 7.096 9.009 4.292 1.00 0.00 C ATOM 563 C ASN A 37 7.145 7.484 4.080 1.00 0.00 C ATOM 564 O ASN A 37 7.418 6.751 5.036 1.00 0.00 O ATOM 565 CB ASN A 37 5.617 9.509 4.300 1.00 0.00 C ATOM 566 CG ASN A 37 5.428 10.843 5.036 1.00 0.00 C ATOM 567 OD1 ASN A 37 5.305 10.873 6.260 1.00 0.00 O ATOM 568 ND2 ASN A 37 5.368 11.945 4.304 1.00 0.00 N ATOM 0 H ASN A 37 7.390 10.342 2.682 1.00 0.00 H new ATOM 0 HA ASN A 37 7.523 9.249 5.266 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.273 9.618 3.272 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.988 8.752 4.768 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.216 12.848 4.753 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.473 11.891 3.291 1.00 0.00 H new ATOM 575 N PHE A 38 6.942 7.045 2.806 1.00 0.00 N ATOM 576 CA PHE A 38 6.887 5.601 2.410 1.00 0.00 C ATOM 577 C PHE A 38 8.080 4.806 2.972 1.00 0.00 C ATOM 578 O PHE A 38 7.922 3.659 3.424 1.00 0.00 O ATOM 579 CB PHE A 38 6.882 5.453 0.855 1.00 0.00 C ATOM 580 CG PHE A 38 6.888 3.998 0.350 1.00 0.00 C ATOM 581 CD1 PHE A 38 5.966 3.065 0.833 1.00 0.00 C ATOM 582 CD2 PHE A 38 7.833 3.561 -0.587 1.00 0.00 C ATOM 583 CE1 PHE A 38 5.989 1.752 0.400 1.00 0.00 C ATOM 584 CE2 PHE A 38 7.849 2.248 -1.021 1.00 0.00 C ATOM 585 CZ PHE A 38 6.930 1.345 -0.525 1.00 0.00 C ATOM 0 H PHE A 38 6.811 7.682 2.020 1.00 0.00 H new ATOM 0 HA PHE A 38 5.964 5.198 2.828 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.002 5.958 0.458 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.754 5.968 0.451 1.00 0.00 H new ATOM 0 HD1 PHE A 38 5.225 3.374 1.555 1.00 0.00 H new ATOM 0 HD2 PHE A 38 8.559 4.259 -0.976 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.270 1.044 0.786 1.00 0.00 H new ATOM 0 HE2 PHE A 38 8.581 1.929 -1.748 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.947 0.319 -0.861 1.00 0.00 H new ATOM 595 N TYR A 39 9.249 5.461 2.951 1.00 0.00 N ATOM 596 CA TYR A 39 10.550 4.863 3.289 1.00 0.00 C ATOM 597 C TYR A 39 10.554 4.168 4.672 1.00 0.00 C ATOM 598 O TYR A 39 11.197 3.123 4.855 1.00 0.00 O ATOM 599 CB TYR A 39 11.627 5.970 3.229 1.00 0.00 C ATOM 600 CG TYR A 39 13.052 5.447 3.318 1.00 0.00 C ATOM 601 CD1 TYR A 39 13.559 4.650 2.302 1.00 0.00 C ATOM 602 CD2 TYR A 39 13.889 5.748 4.397 1.00 0.00 C ATOM 603 CE1 TYR A 39 14.846 4.164 2.357 1.00 0.00 C ATOM 604 CE2 TYR A 39 15.180 5.267 4.457 1.00 0.00 C ATOM 605 CZ TYR A 39 15.657 4.476 3.436 1.00 0.00 C ATOM 606 OH TYR A 39 16.948 3.991 3.495 1.00 0.00 O ATOM 0 H TYR A 39 9.319 6.445 2.692 1.00 0.00 H new ATOM 0 HA TYR A 39 10.765 4.080 2.562 1.00 0.00 H new ATOM 0 HB2 TYR A 39 11.512 6.526 2.298 1.00 0.00 H new ATOM 0 HB3 TYR A 39 11.457 6.674 4.044 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.935 4.407 1.455 1.00 0.00 H new ATOM 0 HD2 TYR A 39 13.517 6.369 5.199 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.223 3.540 1.560 1.00 0.00 H new ATOM 0 HE2 TYR A 39 15.812 5.509 5.299 1.00 0.00 H new ATOM 0 HH TYR A 39 17.378 4.306 4.317 1.00 0.00 H new ATOM 616 N PHE A 40 9.817 4.754 5.627 1.00 0.00 N ATOM 617 CA PHE A 40 9.697 4.233 7.007 1.00 0.00 C ATOM 618 C PHE A 40 8.218 3.975 7.388 1.00 0.00 C ATOM 619 O PHE A 40 7.935 3.556 8.511 1.00 0.00 O ATOM 620 CB PHE A 40 10.383 5.214 8.006 1.00 0.00 C ATOM 621 CG PHE A 40 9.806 6.635 8.007 1.00 0.00 C ATOM 622 CD1 PHE A 40 10.245 7.591 7.088 1.00 0.00 C ATOM 623 CD2 PHE A 40 8.828 7.020 8.931 1.00 0.00 C ATOM 624 CE1 PHE A 40 9.719 8.869 7.085 1.00 0.00 C ATOM 625 CE2 PHE A 40 8.304 8.303 8.921 1.00 0.00 C ATOM 626 CZ PHE A 40 8.754 9.228 8.001 1.00 0.00 C ATOM 0 H PHE A 40 9.282 5.608 5.468 1.00 0.00 H new ATOM 0 HA PHE A 40 10.209 3.272 7.061 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.301 4.803 9.012 1.00 0.00 H new ATOM 0 HB3 PHE A 40 11.446 5.268 7.769 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.007 7.328 6.369 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.477 6.307 9.662 1.00 0.00 H new ATOM 0 HE1 PHE A 40 10.066 9.591 6.360 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.542 8.579 9.635 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.351 10.230 7.999 1.00 0.00 H new ATOM 770 N LEU A 48 17.345 -2.285 2.051 1.00 0.00 N ATOM 771 CA LEU A 48 17.547 -1.149 1.140 1.00 0.00 C ATOM 772 C LEU A 48 18.969 -0.555 1.307 1.00 0.00 C ATOM 773 O LEU A 48 19.529 0.005 0.356 1.00 0.00 O ATOM 774 CB LEU A 48 16.406 -0.105 1.400 1.00 0.00 C ATOM 775 CG LEU A 48 16.206 1.058 0.370 1.00 0.00 C ATOM 776 CD1 LEU A 48 17.184 2.223 0.598 1.00 0.00 C ATOM 777 CD2 LEU A 48 16.284 0.542 -1.080 1.00 0.00 C ATOM 0 HA LEU A 48 17.486 -1.470 0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.466 -0.652 1.468 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.585 0.345 2.377 1.00 0.00 H new ATOM 0 HG LEU A 48 15.203 1.452 0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.002 3.001 -0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 48 17.036 2.632 1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 48 18.208 1.863 0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 48 16.141 1.373 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 48 17.261 0.090 -1.253 1.00 0.00 H new ATOM 0 HD23 LEU A 48 15.505 -0.203 -1.243 1.00 0.00 H new ATOM 789 N ASP A 49 19.536 -0.707 2.512 1.00 0.00 N ATOM 790 CA ASP A 49 20.935 -0.329 2.810 1.00 0.00 C ATOM 791 C ASP A 49 21.912 -1.042 1.851 1.00 0.00 C ATOM 792 O ASP A 49 22.814 -0.410 1.286 1.00 0.00 O ATOM 793 CB ASP A 49 21.273 -0.675 4.286 1.00 0.00 C ATOM 794 CG ASP A 49 22.744 -0.395 4.667 1.00 0.00 C ATOM 795 OD1 ASP A 49 23.081 0.763 4.989 1.00 0.00 O ATOM 796 OD2 ASP A 49 23.571 -1.338 4.638 1.00 0.00 O ATOM 0 H ASP A 49 19.040 -1.096 3.314 1.00 0.00 H new ATOM 0 HA ASP A 49 21.044 0.746 2.664 1.00 0.00 H new ATOM 0 HB2 ASP A 49 20.621 -0.100 4.943 1.00 0.00 H new ATOM 0 HB3 ASP A 49 21.055 -1.728 4.462 1.00 0.00 H new ATOM 801 N GLU A 50 21.699 -2.356 1.664 1.00 0.00 N ATOM 802 CA GLU A 50 22.546 -3.180 0.787 1.00 0.00 C ATOM 803 C GLU A 50 22.316 -2.821 -0.689 1.00 0.00 C ATOM 804 O GLU A 50 23.226 -2.927 -1.496 1.00 0.00 O ATOM 805 CB GLU A 50 22.290 -4.693 1.011 1.00 0.00 C ATOM 806 CG GLU A 50 23.371 -5.600 0.390 1.00 0.00 C ATOM 807 CD GLU A 50 23.059 -7.097 0.529 1.00 0.00 C ATOM 808 OE1 GLU A 50 22.263 -7.615 -0.276 1.00 0.00 O ATOM 809 OE2 GLU A 50 23.597 -7.753 1.454 1.00 0.00 O ATOM 0 H GLU A 50 20.942 -2.872 2.112 1.00 0.00 H new ATOM 0 HA GLU A 50 23.584 -2.968 1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 50 22.234 -4.889 2.082 1.00 0.00 H new ATOM 0 HB3 GLU A 50 21.320 -4.956 0.588 1.00 0.00 H new ATOM 0 HG2 GLU A 50 23.479 -5.355 -0.667 1.00 0.00 H new ATOM 0 HG3 GLU A 50 24.329 -5.390 0.865 1.00 0.00 H new ATOM 816 N ILE A 51 21.092 -2.385 -1.015 1.00 0.00 N ATOM 817 CA ILE A 51 20.715 -1.936 -2.374 1.00 0.00 C ATOM 818 C ILE A 51 21.510 -0.658 -2.763 1.00 0.00 C ATOM 819 O ILE A 51 21.849 -0.446 -3.934 1.00 0.00 O ATOM 820 CB ILE A 51 19.155 -1.711 -2.444 1.00 0.00 C ATOM 821 CG1 ILE A 51 18.408 -3.062 -2.177 1.00 0.00 C ATOM 822 CG2 ILE A 51 18.694 -1.079 -3.779 1.00 0.00 C ATOM 823 CD1 ILE A 51 16.887 -2.982 -2.126 1.00 0.00 C ATOM 0 H ILE A 51 20.326 -2.331 -0.343 1.00 0.00 H new ATOM 0 HA ILE A 51 20.974 -2.706 -3.100 1.00 0.00 H new ATOM 0 HB ILE A 51 18.898 -0.994 -1.665 1.00 0.00 H new ATOM 0 HG12 ILE A 51 18.689 -3.771 -2.956 1.00 0.00 H new ATOM 0 HG13 ILE A 51 18.763 -3.471 -1.231 1.00 0.00 H new ATOM 0 HG21 ILE A 51 17.612 -0.950 -3.766 1.00 0.00 H new ATOM 0 HG22 ILE A 51 19.174 -0.109 -3.907 1.00 0.00 H new ATOM 0 HG23 ILE A 51 18.971 -1.733 -4.606 1.00 0.00 H new ATOM 0 HD11 ILE A 51 16.477 -3.974 -1.936 1.00 0.00 H new ATOM 0 HD12 ILE A 51 16.585 -2.305 -1.327 1.00 0.00 H new ATOM 0 HD13 ILE A 51 16.510 -2.610 -3.079 1.00 0.00 H new ATOM 835 N LEU A 52 21.831 0.169 -1.753 1.00 0.00 N ATOM 836 CA LEU A 52 22.691 1.363 -1.919 1.00 0.00 C ATOM 837 C LEU A 52 24.185 0.982 -1.950 1.00 0.00 C ATOM 838 O LEU A 52 25.000 1.700 -2.542 1.00 0.00 O ATOM 839 CB LEU A 52 22.376 2.412 -0.814 1.00 0.00 C ATOM 840 CG LEU A 52 21.235 3.423 -1.147 1.00 0.00 C ATOM 841 CD1 LEU A 52 21.676 4.388 -2.256 1.00 0.00 C ATOM 842 CD2 LEU A 52 19.932 2.704 -1.544 1.00 0.00 C ATOM 0 H LEU A 52 21.504 0.032 -0.797 1.00 0.00 H new ATOM 0 HA LEU A 52 22.468 1.819 -2.884 1.00 0.00 H new ATOM 0 HB2 LEU A 52 22.111 1.881 0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 52 23.285 2.975 -0.603 1.00 0.00 H new ATOM 0 HG LEU A 52 21.031 3.996 -0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 52 20.867 5.085 -2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 52 22.555 4.943 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 52 21.920 3.822 -3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 52 19.163 3.443 -1.768 1.00 0.00 H new ATOM 0 HD22 LEU A 52 20.111 2.087 -2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 52 19.600 2.072 -0.720 1.00 0.00 H new ATOM 854 N GLN A 53 24.528 -0.146 -1.305 1.00 0.00 N ATOM 855 CA GLN A 53 25.859 -0.775 -1.438 1.00 0.00 C ATOM 856 C GLN A 53 26.039 -1.280 -2.887 1.00 0.00 C ATOM 857 O GLN A 53 27.134 -1.202 -3.447 1.00 0.00 O ATOM 858 CB GLN A 53 26.008 -1.928 -0.399 1.00 0.00 C ATOM 859 CG GLN A 53 27.246 -2.842 -0.542 1.00 0.00 C ATOM 860 CD GLN A 53 28.588 -2.129 -0.340 1.00 0.00 C ATOM 861 OE1 GLN A 53 29.081 -2.017 0.780 1.00 0.00 O ATOM 862 NE2 GLN A 53 29.203 -1.660 -1.423 1.00 0.00 N ATOM 0 H GLN A 53 23.897 -0.647 -0.680 1.00 0.00 H new ATOM 0 HA GLN A 53 26.642 -0.046 -1.231 1.00 0.00 H new ATOM 0 HB2 GLN A 53 26.025 -1.487 0.597 1.00 0.00 H new ATOM 0 HB3 GLN A 53 25.117 -2.553 -0.455 1.00 0.00 H new ATOM 0 HG2 GLN A 53 27.168 -3.654 0.181 1.00 0.00 H new ATOM 0 HG3 GLN A 53 27.235 -3.295 -1.533 1.00 0.00 H new ATOM 0 HE21 GLN A 53 28.771 -1.766 -2.341 1.00 0.00 H new ATOM 0 HE22 GLN A 53 30.106 -1.194 -1.335 1.00 0.00 H new ATOM 871 N GLN A 54 24.934 -1.761 -3.502 1.00 0.00 N ATOM 872 CA GLN A 54 24.929 -2.217 -4.908 1.00 0.00 C ATOM 873 C GLN A 54 25.150 -1.021 -5.863 1.00 0.00 C ATOM 874 O GLN A 54 25.845 -1.150 -6.872 1.00 0.00 O ATOM 875 CB GLN A 54 23.606 -2.966 -5.251 1.00 0.00 C ATOM 876 CG GLN A 54 23.286 -4.160 -4.323 1.00 0.00 C ATOM 877 CD GLN A 54 24.402 -5.207 -4.216 1.00 0.00 C ATOM 878 OE1 GLN A 54 25.160 -5.439 -5.160 1.00 0.00 O ATOM 879 NE2 GLN A 54 24.512 -5.837 -3.052 1.00 0.00 N ATOM 0 H GLN A 54 24.028 -1.843 -3.040 1.00 0.00 H new ATOM 0 HA GLN A 54 25.751 -2.920 -5.041 1.00 0.00 H new ATOM 0 HB2 GLN A 54 22.780 -2.256 -5.207 1.00 0.00 H new ATOM 0 HB3 GLN A 54 23.663 -3.326 -6.278 1.00 0.00 H new ATOM 0 HG2 GLN A 54 23.068 -3.779 -3.325 1.00 0.00 H new ATOM 0 HG3 GLN A 54 22.381 -4.649 -4.682 1.00 0.00 H new ATOM 0 HE21 GLN A 54 23.867 -5.620 -2.292 1.00 0.00 H new ATOM 0 HE22 GLN A 54 25.241 -6.538 -2.918 1.00 0.00 H new ATOM 888 N HIS A 55 24.570 0.145 -5.507 1.00 0.00 N ATOM 889 CA HIS A 55 24.780 1.424 -6.235 1.00 0.00 C ATOM 890 C HIS A 55 26.283 1.796 -6.293 1.00 0.00 C ATOM 891 O HIS A 55 26.766 2.332 -7.300 1.00 0.00 O ATOM 892 CB HIS A 55 23.959 2.560 -5.563 1.00 0.00 C ATOM 893 CG HIS A 55 24.202 3.944 -6.127 1.00 0.00 C ATOM 894 ND1 HIS A 55 23.821 4.314 -7.402 1.00 0.00 N ATOM 895 CD2 HIS A 55 24.792 5.041 -5.588 1.00 0.00 C ATOM 896 CE1 HIS A 55 24.175 5.560 -7.625 1.00 0.00 C ATOM 897 NE2 HIS A 55 24.763 6.029 -6.543 1.00 0.00 N ATOM 0 H HIS A 55 23.942 0.231 -4.708 1.00 0.00 H new ATOM 0 HA HIS A 55 24.432 1.296 -7.260 1.00 0.00 H new ATOM 0 HB2 HIS A 55 22.899 2.326 -5.658 1.00 0.00 H new ATOM 0 HB3 HIS A 55 24.189 2.573 -4.498 1.00 0.00 H new ATOM 0 HD1 HIS A 55 23.338 3.712 -8.069 1.00 0.00 H new ATOM 0 HD2 HIS A 55 25.207 5.122 -4.594 1.00 0.00 H new ATOM 0 HE1 HIS A 55 24.011 6.108 -8.541 1.00 0.00 H new ATOM 906 N LYS A 56 27.002 1.494 -5.195 1.00 0.00 N ATOM 907 CA LYS A 56 28.448 1.734 -5.088 1.00 0.00 C ATOM 908 C LYS A 56 29.244 0.756 -5.970 1.00 0.00 C ATOM 909 O LYS A 56 29.904 1.162 -6.940 1.00 0.00 O ATOM 910 CB LYS A 56 28.908 1.567 -3.612 1.00 0.00 C ATOM 911 CG LYS A 56 28.301 2.580 -2.621 1.00 0.00 C ATOM 912 CD LYS A 56 28.852 4.019 -2.800 1.00 0.00 C ATOM 913 CE LYS A 56 30.368 4.113 -2.550 1.00 0.00 C ATOM 914 NZ LYS A 56 30.881 5.492 -2.711 1.00 0.00 N ATOM 0 H LYS A 56 26.594 1.077 -4.359 1.00 0.00 H new ATOM 0 HA LYS A 56 28.640 2.752 -5.428 1.00 0.00 H new ATOM 0 HB2 LYS A 56 28.654 0.560 -3.280 1.00 0.00 H new ATOM 0 HB3 LYS A 56 29.994 1.651 -3.574 1.00 0.00 H new ATOM 0 HG2 LYS A 56 27.218 2.595 -2.745 1.00 0.00 H new ATOM 0 HG3 LYS A 56 28.501 2.246 -1.603 1.00 0.00 H new ATOM 0 HD2 LYS A 56 28.633 4.364 -3.811 1.00 0.00 H new ATOM 0 HD3 LYS A 56 28.333 4.690 -2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 56 30.590 3.761 -1.543 1.00 0.00 H new ATOM 0 HE3 LYS A 56 30.889 3.451 -3.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 31.906 5.504 -2.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 30.694 5.821 -3.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 30.404 6.121 -2.034 1.00 0.00 H new ATOM 928 N LEU A 57 29.110 -0.544 -5.647 1.00 0.00 N ATOM 929 CA LEU A 57 30.059 -1.574 -6.090 1.00 0.00 C ATOM 930 C LEU A 57 29.886 -1.912 -7.581 1.00 0.00 C ATOM 931 O LEU A 57 30.868 -2.008 -8.285 1.00 0.00 O ATOM 932 CB LEU A 57 29.965 -2.827 -5.153 1.00 0.00 C ATOM 933 CG LEU A 57 28.666 -3.729 -5.223 1.00 0.00 C ATOM 934 CD1 LEU A 57 28.781 -4.843 -6.286 1.00 0.00 C ATOM 935 CD2 LEU A 57 28.312 -4.331 -3.845 1.00 0.00 C ATOM 0 H LEU A 57 28.346 -0.905 -5.076 1.00 0.00 H new ATOM 0 HA LEU A 57 31.072 -1.181 -6.004 1.00 0.00 H new ATOM 0 HB2 LEU A 57 30.823 -3.465 -5.366 1.00 0.00 H new ATOM 0 HB3 LEU A 57 30.073 -2.481 -4.125 1.00 0.00 H new ATOM 0 HG LEU A 57 27.853 -3.068 -5.525 1.00 0.00 H new ATOM 0 HD11 LEU A 57 27.865 -5.434 -6.295 1.00 0.00 H new ATOM 0 HD12 LEU A 57 28.933 -4.395 -7.268 1.00 0.00 H new ATOM 0 HD13 LEU A 57 29.626 -5.488 -6.047 1.00 0.00 H new ATOM 0 HD21 LEU A 57 27.415 -4.943 -3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 57 29.139 -4.948 -3.494 1.00 0.00 H new ATOM 0 HD23 LEU A 57 28.132 -3.527 -3.132 1.00 0.00 H new ATOM 947 N LYS A 58 28.631 -2.017 -8.057 1.00 0.00 N ATOM 948 CA LYS A 58 28.319 -2.437 -9.456 1.00 0.00 C ATOM 949 C LYS A 58 28.864 -1.447 -10.508 1.00 0.00 C ATOM 950 O LYS A 58 29.089 -1.819 -11.666 1.00 0.00 O ATOM 951 CB LYS A 58 26.791 -2.593 -9.626 1.00 0.00 C ATOM 952 CG LYS A 58 26.173 -3.763 -8.829 1.00 0.00 C ATOM 953 CD LYS A 58 24.617 -3.743 -8.778 1.00 0.00 C ATOM 954 CE LYS A 58 23.920 -4.075 -10.121 1.00 0.00 C ATOM 955 NZ LYS A 58 24.150 -3.049 -11.175 1.00 0.00 N ATOM 0 H LYS A 58 27.803 -1.817 -7.496 1.00 0.00 H new ATOM 0 HA LYS A 58 28.816 -3.392 -9.625 1.00 0.00 H new ATOM 0 HB2 LYS A 58 26.308 -1.666 -9.319 1.00 0.00 H new ATOM 0 HB3 LYS A 58 26.568 -2.733 -10.684 1.00 0.00 H new ATOM 0 HG2 LYS A 58 26.500 -4.704 -9.272 1.00 0.00 H new ATOM 0 HG3 LYS A 58 26.560 -3.740 -7.810 1.00 0.00 H new ATOM 0 HD2 LYS A 58 24.283 -4.457 -8.025 1.00 0.00 H new ATOM 0 HD3 LYS A 58 24.291 -2.756 -8.449 1.00 0.00 H new ATOM 0 HE2 LYS A 58 24.278 -5.040 -10.479 1.00 0.00 H new ATOM 0 HE3 LYS A 58 22.848 -4.176 -9.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 23.281 -2.923 -11.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 24.410 -2.146 -10.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 24.920 -3.361 -11.801 1.00 0.00 H new ATOM 969 N MET A 59 29.058 -0.193 -10.092 1.00 0.00 N ATOM 970 CA MET A 59 29.592 0.867 -10.956 1.00 0.00 C ATOM 971 C MET A 59 31.132 0.804 -11.003 1.00 0.00 C ATOM 972 O MET A 59 31.728 0.820 -12.078 1.00 0.00 O ATOM 973 CB MET A 59 29.108 2.245 -10.441 1.00 0.00 C ATOM 974 CG MET A 59 29.445 3.442 -11.347 1.00 0.00 C ATOM 975 SD MET A 59 28.707 4.991 -10.761 1.00 0.00 S ATOM 976 CE MET A 59 26.953 4.589 -10.779 1.00 0.00 C ATOM 0 H MET A 59 28.849 0.118 -9.143 1.00 0.00 H new ATOM 0 HA MET A 59 29.224 0.722 -11.972 1.00 0.00 H new ATOM 0 HB2 MET A 59 28.027 2.205 -10.307 1.00 0.00 H new ATOM 0 HB3 MET A 59 29.545 2.421 -9.458 1.00 0.00 H new ATOM 0 HG2 MET A 59 30.527 3.558 -11.402 1.00 0.00 H new ATOM 0 HG3 MET A 59 29.095 3.237 -12.359 1.00 0.00 H new ATOM 0 HE1 MET A 59 26.370 5.508 -10.829 1.00 0.00 H new ATOM 0 HE2 MET A 59 26.731 3.970 -11.648 1.00 0.00 H new ATOM 0 HE3 MET A 59 26.695 4.045 -9.870 1.00 0.00 H new ATOM 986 N GLU A 60 31.746 0.698 -9.815 1.00 0.00 N ATOM 987 CA GLU A 60 33.214 0.778 -9.635 1.00 0.00 C ATOM 988 C GLU A 60 33.922 -0.568 -9.905 1.00 0.00 C ATOM 989 O GLU A 60 35.118 -0.582 -10.187 1.00 0.00 O ATOM 990 CB GLU A 60 33.536 1.314 -8.218 1.00 0.00 C ATOM 991 CG GLU A 60 32.989 2.729 -7.962 1.00 0.00 C ATOM 992 CD GLU A 60 33.351 3.292 -6.577 1.00 0.00 C ATOM 993 OE1 GLU A 60 32.581 3.076 -5.607 1.00 0.00 O ATOM 994 OE2 GLU A 60 34.392 3.974 -6.459 1.00 0.00 O ATOM 0 H GLU A 60 31.239 0.553 -8.942 1.00 0.00 H new ATOM 0 HA GLU A 60 33.604 1.474 -10.378 1.00 0.00 H new ATOM 0 HB2 GLU A 60 33.120 0.632 -7.476 1.00 0.00 H new ATOM 0 HB3 GLU A 60 34.617 1.319 -8.076 1.00 0.00 H new ATOM 0 HG2 GLU A 60 33.373 3.401 -8.729 1.00 0.00 H new ATOM 0 HG3 GLU A 60 31.904 2.714 -8.066 1.00 0.00 H new ATOM 1001 N LYS A 61 33.178 -1.680 -9.807 1.00 0.00 N ATOM 1002 CA LYS A 61 33.722 -3.049 -9.971 1.00 0.00 C ATOM 1003 C LYS A 61 34.080 -3.298 -11.446 1.00 0.00 C ATOM 1004 O LYS A 61 35.200 -3.717 -11.757 1.00 0.00 O ATOM 1005 CB LYS A 61 32.689 -4.093 -9.471 1.00 0.00 C ATOM 1006 CG LYS A 61 33.178 -5.552 -9.431 1.00 0.00 C ATOM 1007 CD LYS A 61 32.086 -6.518 -8.903 1.00 0.00 C ATOM 1008 CE LYS A 61 32.578 -7.974 -8.790 1.00 0.00 C ATOM 1009 NZ LYS A 61 31.541 -8.869 -8.218 1.00 0.00 N ATOM 0 H LYS A 61 32.177 -1.662 -9.611 1.00 0.00 H new ATOM 0 HA LYS A 61 34.629 -3.150 -9.375 1.00 0.00 H new ATOM 0 HB2 LYS A 61 32.370 -3.809 -8.468 1.00 0.00 H new ATOM 0 HB3 LYS A 61 31.809 -4.042 -10.112 1.00 0.00 H new ATOM 0 HG2 LYS A 61 33.481 -5.860 -10.432 1.00 0.00 H new ATOM 0 HG3 LYS A 61 34.061 -5.621 -8.795 1.00 0.00 H new ATOM 0 HD2 LYS A 61 31.748 -6.177 -7.924 1.00 0.00 H new ATOM 0 HD3 LYS A 61 31.223 -6.482 -9.568 1.00 0.00 H new ATOM 0 HE2 LYS A 61 32.866 -8.337 -9.777 1.00 0.00 H new ATOM 0 HE3 LYS A 61 33.470 -8.008 -8.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 31.913 -9.838 -8.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 31.284 -8.539 -7.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 30.698 -8.858 -8.827 1.00 0.00 H new ATOM 1023 N GLU A 62 33.112 -3.003 -12.346 1.00 0.00 N ATOM 1024 CA GLU A 62 33.328 -3.079 -13.809 1.00 0.00 C ATOM 1025 C GLU A 62 34.343 -2.008 -14.261 1.00 0.00 C ATOM 1026 O GLU A 62 35.110 -2.232 -15.187 1.00 0.00 O ATOM 1027 CB GLU A 62 31.996 -2.899 -14.596 1.00 0.00 C ATOM 1028 CG GLU A 62 31.304 -1.523 -14.423 1.00 0.00 C ATOM 1029 CD GLU A 62 30.370 -1.167 -15.593 1.00 0.00 C ATOM 1030 OE1 GLU A 62 30.879 -0.684 -16.639 1.00 0.00 O ATOM 1031 OE2 GLU A 62 29.144 -1.368 -15.485 1.00 0.00 O ATOM 0 H GLU A 62 32.171 -2.709 -12.082 1.00 0.00 H new ATOM 0 HA GLU A 62 33.724 -4.071 -14.028 1.00 0.00 H new ATOM 0 HB2 GLU A 62 32.196 -3.056 -15.656 1.00 0.00 H new ATOM 0 HB3 GLU A 62 31.301 -3.678 -14.284 1.00 0.00 H new ATOM 0 HG2 GLU A 62 30.731 -1.525 -13.496 1.00 0.00 H new ATOM 0 HG3 GLU A 62 32.066 -0.749 -14.325 1.00 0.00 H new ATOM 1038 N ARG A 63 34.315 -0.848 -13.569 1.00 0.00 N ATOM 1039 CA ARG A 63 35.158 0.321 -13.881 1.00 0.00 C ATOM 1040 C ARG A 63 36.636 0.014 -13.586 1.00 0.00 C ATOM 1041 O ARG A 63 37.521 0.391 -14.356 1.00 0.00 O ATOM 1042 CB ARG A 63 34.654 1.537 -13.065 1.00 0.00 C ATOM 1043 CG ARG A 63 35.278 2.899 -13.421 1.00 0.00 C ATOM 1044 CD ARG A 63 34.629 4.049 -12.623 1.00 0.00 C ATOM 1045 NE ARG A 63 35.182 5.370 -12.988 1.00 0.00 N ATOM 1046 CZ ARG A 63 34.464 6.429 -13.403 1.00 0.00 C ATOM 1047 NH1 ARG A 63 33.141 6.341 -13.581 1.00 0.00 N ATOM 1048 NH2 ARG A 63 35.081 7.576 -13.653 1.00 0.00 N ATOM 0 H ARG A 63 33.699 -0.698 -12.770 1.00 0.00 H new ATOM 0 HA ARG A 63 35.085 0.557 -14.943 1.00 0.00 H new ATOM 0 HB2 ARG A 63 33.574 1.611 -13.192 1.00 0.00 H new ATOM 0 HB3 ARG A 63 34.838 1.341 -12.009 1.00 0.00 H new ATOM 0 HG2 ARG A 63 36.349 2.873 -13.217 1.00 0.00 H new ATOM 0 HG3 ARG A 63 35.161 3.085 -14.489 1.00 0.00 H new ATOM 0 HD2 ARG A 63 33.553 4.047 -12.798 1.00 0.00 H new ATOM 0 HD3 ARG A 63 34.778 3.877 -11.557 1.00 0.00 H new ATOM 0 HE ARG A 63 36.193 5.489 -12.919 1.00 0.00 H new ATOM 0 HH11 ARG A 63 32.660 5.460 -13.401 1.00 0.00 H new ATOM 0 HH12 ARG A 63 32.614 7.155 -13.896 1.00 0.00 H new ATOM 0 HH21 ARG A 63 36.091 7.649 -13.530 1.00 0.00 H new ATOM 0 HH22 ARG A 63 34.546 8.385 -13.968 1.00 0.00 H new ATOM 1062 N ASN A 64 36.874 -0.706 -12.484 1.00 0.00 N ATOM 1063 CA ASN A 64 38.218 -1.165 -12.092 1.00 0.00 C ATOM 1064 C ASN A 64 38.695 -2.272 -13.056 1.00 0.00 C ATOM 1065 O ASN A 64 39.872 -2.328 -13.420 1.00 0.00 O ATOM 1066 CB ASN A 64 38.194 -1.670 -10.621 1.00 0.00 C ATOM 1067 CG ASN A 64 39.577 -2.032 -10.061 1.00 0.00 C ATOM 1068 OD1 ASN A 64 40.006 -3.181 -10.122 1.00 0.00 O ATOM 1069 ND2 ASN A 64 40.282 -1.051 -9.510 1.00 0.00 N ATOM 0 H ASN A 64 36.140 -0.989 -11.835 1.00 0.00 H new ATOM 0 HA ASN A 64 38.921 -0.335 -12.155 1.00 0.00 H new ATOM 0 HB2 ASN A 64 37.749 -0.900 -9.991 1.00 0.00 H new ATOM 0 HB3 ASN A 64 37.548 -2.546 -10.559 1.00 0.00 H new ATOM 0 HD21 ASN A 64 41.206 -1.242 -9.123 1.00 0.00 H new ATOM 0 HD22 ASN A 64 39.899 -0.106 -9.474 1.00 0.00 H new