USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 THR OG1 : rot -106:sc= -0.285! USER MOD Set 1.2: A 69 LYS NZ :NH3+ 152:sc= -4.67! (180deg=-7.8!) USER MOD Set 2.1: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 40 HIS : no HD1:sc= -2.56 K(o=-2.6,f=-4.5!) USER MOD Set 3.1: A 17 LYS NZ :NH3+ 176:sc= 1.22 (180deg=0) USER MOD Set 3.2: A 18 ASN : amide:sc= 0.9 K(o=2.1,f=-6.5!) USER MOD Single : A 1 CYS N :NH3+ -122:sc= -4.69! (180deg=-7.8!) USER MOD Single : A 2 LYS NZ :NH3+ 142:sc= 0.196 (180deg=-1.47) USER MOD Single : A 3 THR OG1 : rot 71:sc= 0.398! USER MOD Single : A 5 ASN : amide:sc= 0.0101! C(o=0.01!,f=-8.3!) USER MOD Single : A 7 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.281) USER MOD Single : A 8 ASN :FLIP amide:sc= -0.299 F(o=-0.88,f=-0.3) USER MOD Single : A 9 TYR OH : rot 180:sc= -1.7 USER MOD Single : A 12 THR OG1 : rot -105:sc= 0.622 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -102:sc= -0.211 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 65:sc= -1.3! USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0782 USER MOD Single : A 23 GLN : amide:sc= -8.13! C(o=-8.1!,f=-11!) USER MOD Single : A 24 LYS NZ :NH3+ -176:sc= -0.212 (180deg=-0.414) USER MOD Single : A 26 SER OG : rot 9:sc= 0.962 USER MOD Single : A 27 SER OG : rot 180:sc= -1.04 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 29 SER OG : rot 71:sc= 1.05 USER MOD Single : A 31 HIS :FLIP no HD1:sc= -5.71! C(o=-7.2!,f=-5.7!) USER MOD Single : A 36 SER OG : rot 160:sc= -0.13 USER MOD Single : A 42 SER OG : rot 90:sc= -0.0891 USER MOD Single : A 48 ASN : amide:sc= -0.204! C(o=-0.2!,f=-5.5!) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.446 USER MOD Single : A 52 ASN :FLIP amide:sc= -1.27 F(o=-2!,f=-1.3) USER MOD Single : A 55 ASN : amide:sc= -0.0335 K(o=-0.033,f=-1.7) USER MOD Single : A 58 GLN : amide:sc= -1.3! C(o=-1.3!,f=-6.9!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.00151 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= -1.49! USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 9.124 1.883 1.004 1.00 0.00 N ATOM 2 CA CYS A 1 8.527 0.669 0.361 1.00 0.00 C ATOM 3 C CYS A 1 8.602 0.739 -1.158 1.00 0.00 C ATOM 4 O CYS A 1 8.236 -0.195 -1.834 1.00 0.00 O ATOM 5 CB CYS A 1 7.047 0.536 0.748 1.00 0.00 C ATOM 6 SG CYS A 1 6.645 0.610 2.489 1.00 0.00 S ATOM 0 H1 CYS A 1 9.894 1.595 1.641 1.00 0.00 H new ATOM 0 H2 CYS A 1 9.501 2.515 0.269 1.00 0.00 H new ATOM 0 H3 CYS A 1 8.392 2.383 1.549 1.00 0.00 H new ATOM 0 HA CYS A 1 9.101 -0.188 0.713 1.00 0.00 H new ATOM 0 HB2 CYS A 1 6.493 1.326 0.240 1.00 0.00 H new ATOM 0 HB3 CYS A 1 6.680 -0.413 0.357 1.00 0.00 H new ATOM 13 N LYS A 2 9.068 1.834 -1.670 1.00 0.00 N ATOM 14 CA LYS A 2 9.165 1.961 -3.160 1.00 0.00 C ATOM 15 C LYS A 2 10.160 3.020 -3.562 1.00 0.00 C ATOM 16 O LYS A 2 10.182 4.098 -3.009 1.00 0.00 O ATOM 17 CB LYS A 2 7.789 2.360 -3.735 1.00 0.00 C ATOM 18 CG LYS A 2 7.127 3.417 -2.830 1.00 0.00 C ATOM 19 CD LYS A 2 5.675 3.645 -3.295 1.00 0.00 C ATOM 20 CE LYS A 2 5.093 4.889 -2.603 1.00 0.00 C ATOM 21 NZ LYS A 2 4.634 4.552 -1.222 1.00 0.00 N ATOM 0 H LYS A 2 9.385 2.644 -1.137 1.00 0.00 H new ATOM 0 HA LYS A 2 9.491 0.997 -3.551 1.00 0.00 H new ATOM 0 HB2 LYS A 2 7.908 2.756 -4.744 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.148 1.481 -3.811 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.141 3.085 -1.792 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.686 4.352 -2.873 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.646 3.773 -4.377 1.00 0.00 H new ATOM 0 HD3 LYS A 2 5.068 2.771 -3.061 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.847 5.675 -2.560 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.258 5.279 -3.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.851 5.342 -0.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 3.608 4.384 -1.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.123 3.695 -0.893 1.00 0.00 H new ATOM 35 N THR A 3 10.958 2.697 -4.528 1.00 0.00 N ATOM 36 CA THR A 3 11.961 3.670 -4.987 1.00 0.00 C ATOM 37 C THR A 3 12.377 3.404 -6.426 1.00 0.00 C ATOM 38 O THR A 3 13.411 3.845 -6.883 1.00 0.00 O ATOM 39 CB THR A 3 13.162 3.550 -4.089 1.00 0.00 C ATOM 40 OG1 THR A 3 13.144 2.221 -3.616 1.00 0.00 O ATOM 41 CG2 THR A 3 12.997 4.403 -2.820 1.00 0.00 C ATOM 0 H THR A 3 10.957 1.802 -5.017 1.00 0.00 H new ATOM 0 HA THR A 3 11.534 4.672 -4.947 1.00 0.00 H new ATOM 0 HB THR A 3 14.055 3.849 -4.637 1.00 0.00 H new ATOM 0 HG1 THR A 3 13.373 1.610 -4.348 1.00 0.00 H new ATOM 0 HG21 THR A 3 13.881 4.295 -2.192 1.00 0.00 H new ATOM 0 HG22 THR A 3 12.875 5.450 -3.098 1.00 0.00 H new ATOM 0 HG23 THR A 3 12.117 4.070 -2.269 1.00 0.00 H new ATOM 49 N GLY A 4 11.547 2.683 -7.091 1.00 0.00 N ATOM 50 CA GLY A 4 11.796 2.327 -8.518 1.00 0.00 C ATOM 51 C GLY A 4 10.570 2.749 -9.311 1.00 0.00 C ATOM 52 O GLY A 4 10.614 2.977 -10.500 1.00 0.00 O ATOM 0 H GLY A 4 10.679 2.309 -6.707 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.687 2.833 -8.890 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.971 1.256 -8.622 1.00 0.00 H new ATOM 56 N ASN A 5 9.499 2.829 -8.585 1.00 0.00 N ATOM 57 CA ASN A 5 8.197 3.225 -9.152 1.00 0.00 C ATOM 58 C ASN A 5 7.628 4.376 -8.315 1.00 0.00 C ATOM 59 O ASN A 5 6.514 4.817 -8.524 1.00 0.00 O ATOM 60 CB ASN A 5 7.236 2.011 -9.062 1.00 0.00 C ATOM 61 CG ASN A 5 7.490 1.226 -7.757 1.00 0.00 C ATOM 62 OD1 ASN A 5 8.234 1.644 -6.891 1.00 0.00 O ATOM 63 ND2 ASN A 5 6.886 0.089 -7.576 1.00 0.00 N ATOM 0 H ASN A 5 9.476 2.628 -7.585 1.00 0.00 H new ATOM 0 HA ASN A 5 8.310 3.540 -10.189 1.00 0.00 H new ATOM 0 HB2 ASN A 5 6.202 2.353 -9.094 1.00 0.00 H new ATOM 0 HB3 ASN A 5 7.382 1.358 -9.922 1.00 0.00 H new ATOM 0 HD21 ASN A 5 7.039 -0.439 -6.717 1.00 0.00 H new ATOM 0 HD22 ASN A 5 6.259 -0.275 -8.293 1.00 0.00 H new ATOM 70 N GLY A 6 8.430 4.833 -7.367 1.00 0.00 N ATOM 71 CA GLY A 6 7.978 5.959 -6.485 1.00 0.00 C ATOM 72 C GLY A 6 9.114 6.962 -6.179 1.00 0.00 C ATOM 73 O GLY A 6 8.859 8.142 -6.059 1.00 0.00 O ATOM 0 H GLY A 6 9.365 4.476 -7.172 1.00 0.00 H new ATOM 0 HA2 GLY A 6 7.153 6.485 -6.966 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.595 5.552 -5.549 1.00 0.00 H new ATOM 77 N LYS A 7 10.348 6.487 -6.066 1.00 0.00 N ATOM 78 CA LYS A 7 11.469 7.441 -5.769 1.00 0.00 C ATOM 79 C LYS A 7 12.866 6.875 -6.130 1.00 0.00 C ATOM 80 O LYS A 7 13.196 6.742 -7.287 1.00 0.00 O ATOM 81 CB LYS A 7 11.438 7.778 -4.259 1.00 0.00 C ATOM 82 CG LYS A 7 10.411 8.887 -4.004 1.00 0.00 C ATOM 83 CD LYS A 7 10.889 9.764 -2.837 1.00 0.00 C ATOM 84 CE LYS A 7 9.697 10.535 -2.266 1.00 0.00 C ATOM 85 NZ LYS A 7 9.026 11.318 -3.345 1.00 0.00 N ATOM 0 H LYS A 7 10.615 5.507 -6.165 1.00 0.00 H new ATOM 0 HA LYS A 7 11.316 8.327 -6.386 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.180 6.890 -3.682 1.00 0.00 H new ATOM 0 HB3 LYS A 7 12.425 8.099 -3.927 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.283 9.493 -4.901 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.439 8.452 -3.772 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.342 9.145 -2.063 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.657 10.458 -3.179 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.988 9.841 -1.815 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.033 11.206 -1.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.405 12.035 -2.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.745 11.788 -3.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 8.460 10.678 -3.938 1.00 0.00 H new ATOM 99 N ASN A 8 13.656 6.559 -5.115 1.00 0.00 N ATOM 100 CA ASN A 8 15.037 6.004 -5.374 1.00 0.00 C ATOM 101 C ASN A 8 15.565 5.217 -4.160 1.00 0.00 C ATOM 102 O ASN A 8 15.427 5.642 -3.034 1.00 0.00 O ATOM 103 CB ASN A 8 15.991 7.183 -5.643 1.00 0.00 C ATOM 104 CG ASN A 8 16.095 7.434 -7.147 1.00 0.00 C ATOM 105 OD1 ASN A 8 16.182 6.428 -7.960 1.00 0.00 O flip ATOM 106 ND2 ASN A 8 16.107 8.555 -7.593 1.00 0.00 N flip ATOM 0 H ASN A 8 13.407 6.660 -4.131 1.00 0.00 H new ATOM 0 HA ASN A 8 14.985 5.328 -6.227 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.627 8.079 -5.140 1.00 0.00 H new ATOM 0 HB3 ASN A 8 16.977 6.965 -5.233 1.00 0.00 H new ATOM 0 HD21 ASN A 8 16.039 9.355 -6.964 1.00 0.00 H new ATOM 0 HD22 ASN A 8 16.185 8.703 -8.599 1.00 0.00 H new ATOM 113 N TYR A 9 16.165 4.083 -4.437 1.00 0.00 N ATOM 114 CA TYR A 9 16.723 3.214 -3.342 1.00 0.00 C ATOM 115 C TYR A 9 17.813 3.912 -2.522 1.00 0.00 C ATOM 116 O TYR A 9 18.363 4.909 -2.930 1.00 0.00 O ATOM 117 CB TYR A 9 17.318 1.960 -4.006 1.00 0.00 C ATOM 118 CG TYR A 9 16.455 1.561 -5.218 1.00 0.00 C ATOM 119 CD1 TYR A 9 15.166 1.081 -5.046 1.00 0.00 C ATOM 120 CD2 TYR A 9 16.949 1.688 -6.500 1.00 0.00 C ATOM 121 CE1 TYR A 9 14.397 0.743 -6.136 1.00 0.00 C ATOM 122 CE2 TYR A 9 16.170 1.344 -7.589 1.00 0.00 C ATOM 123 CZ TYR A 9 14.888 0.868 -7.410 1.00 0.00 C ATOM 124 OH TYR A 9 14.110 0.509 -8.493 1.00 0.00 O ATOM 0 H TYR A 9 16.295 3.717 -5.380 1.00 0.00 H new ATOM 0 HA TYR A 9 15.916 2.972 -2.650 1.00 0.00 H new ATOM 0 HB2 TYR A 9 18.342 2.155 -4.324 1.00 0.00 H new ATOM 0 HB3 TYR A 9 17.358 1.140 -3.289 1.00 0.00 H new ATOM 0 HD1 TYR A 9 14.763 0.972 -4.050 1.00 0.00 H new ATOM 0 HD2 TYR A 9 17.952 2.059 -6.654 1.00 0.00 H new ATOM 0 HE1 TYR A 9 13.393 0.374 -5.986 1.00 0.00 H new ATOM 0 HE2 TYR A 9 16.568 1.449 -8.587 1.00 0.00 H new ATOM 0 HH TYR A 9 14.611 0.662 -9.321 1.00 0.00 H new ATOM 134 N ARG A 10 18.098 3.347 -1.373 1.00 0.00 N ATOM 135 CA ARG A 10 19.146 3.934 -0.479 1.00 0.00 C ATOM 136 C ARG A 10 19.482 2.964 0.672 1.00 0.00 C ATOM 137 O ARG A 10 20.604 2.910 1.139 1.00 0.00 O ATOM 138 CB ARG A 10 18.586 5.244 0.115 1.00 0.00 C ATOM 139 CG ARG A 10 19.741 6.134 0.614 1.00 0.00 C ATOM 140 CD ARG A 10 20.671 6.536 -0.549 1.00 0.00 C ATOM 141 NE ARG A 10 19.884 6.684 -1.818 1.00 0.00 N ATOM 142 CZ ARG A 10 20.295 7.491 -2.736 1.00 0.00 C ATOM 143 NH1 ARG A 10 20.017 8.736 -2.636 1.00 0.00 N ATOM 144 NH2 ARG A 10 20.964 7.016 -3.721 1.00 0.00 N ATOM 0 H ARG A 10 17.649 2.504 -1.015 1.00 0.00 H new ATOM 0 HA ARG A 10 20.054 4.119 -1.053 1.00 0.00 H new ATOM 0 HB2 ARG A 10 18.006 5.776 -0.639 1.00 0.00 H new ATOM 0 HB3 ARG A 10 17.908 5.019 0.938 1.00 0.00 H new ATOM 0 HG2 ARG A 10 19.337 7.029 1.087 1.00 0.00 H new ATOM 0 HG3 ARG A 10 20.313 5.602 1.374 1.00 0.00 H new ATOM 0 HD2 ARG A 10 21.174 7.474 -0.314 1.00 0.00 H new ATOM 0 HD3 ARG A 10 21.447 5.782 -0.680 1.00 0.00 H new ATOM 0 HE ARG A 10 19.027 6.148 -1.954 1.00 0.00 H new ATOM 0 HH11 ARG A 10 19.478 9.076 -1.839 1.00 0.00 H new ATOM 0 HH12 ARG A 10 20.334 9.389 -3.353 1.00 0.00 H new ATOM 0 HH21 ARG A 10 21.162 6.017 -3.768 1.00 0.00 H new ATOM 0 HH22 ARG A 10 21.298 7.638 -4.458 1.00 0.00 H new ATOM 158 N GLY A 11 18.487 2.220 1.104 1.00 0.00 N ATOM 159 CA GLY A 11 18.709 1.237 2.226 1.00 0.00 C ATOM 160 C GLY A 11 19.039 -0.153 1.665 1.00 0.00 C ATOM 161 O GLY A 11 19.429 -1.044 2.392 1.00 0.00 O ATOM 0 H GLY A 11 17.537 2.248 0.734 1.00 0.00 H new ATOM 0 HA2 GLY A 11 19.524 1.581 2.863 1.00 0.00 H new ATOM 0 HA3 GLY A 11 17.817 1.181 2.851 1.00 0.00 H new ATOM 165 N THR A 12 18.871 -0.299 0.376 1.00 0.00 N ATOM 166 CA THR A 12 19.164 -1.614 -0.277 1.00 0.00 C ATOM 167 C THR A 12 20.566 -2.086 0.026 1.00 0.00 C ATOM 168 O THR A 12 20.885 -3.226 -0.231 1.00 0.00 O ATOM 169 CB THR A 12 19.034 -1.448 -1.784 1.00 0.00 C ATOM 170 OG1 THR A 12 19.271 -2.726 -2.313 1.00 0.00 O ATOM 171 CG2 THR A 12 20.163 -0.577 -2.358 1.00 0.00 C ATOM 0 H THR A 12 18.544 0.434 -0.254 1.00 0.00 H new ATOM 0 HA THR A 12 18.458 -2.350 0.108 1.00 0.00 H new ATOM 0 HB THR A 12 18.066 -1.005 -2.019 1.00 0.00 H new ATOM 0 HG1 THR A 12 20.166 -2.755 -2.711 1.00 0.00 H new ATOM 0 HG21 THR A 12 20.036 -0.481 -3.436 1.00 0.00 H new ATOM 0 HG22 THR A 12 20.129 0.411 -1.900 1.00 0.00 H new ATOM 0 HG23 THR A 12 21.125 -1.043 -2.146 1.00 0.00 H new ATOM 179 N MET A 13 21.387 -1.196 0.555 1.00 0.00 N ATOM 180 CA MET A 13 22.789 -1.584 0.884 1.00 0.00 C ATOM 181 C MET A 13 22.848 -3.054 1.213 1.00 0.00 C ATOM 182 O MET A 13 23.647 -3.788 0.675 1.00 0.00 O ATOM 183 CB MET A 13 23.243 -0.767 2.107 1.00 0.00 C ATOM 184 CG MET A 13 24.772 -0.748 2.156 1.00 0.00 C ATOM 185 SD MET A 13 25.628 0.167 0.851 1.00 0.00 S ATOM 186 CE MET A 13 25.839 1.720 1.757 1.00 0.00 C ATOM 0 H MET A 13 21.141 -0.229 0.768 1.00 0.00 H new ATOM 0 HA MET A 13 23.440 -1.386 0.033 1.00 0.00 H new ATOM 0 HB2 MET A 13 22.856 0.250 2.045 1.00 0.00 H new ATOM 0 HB3 MET A 13 22.843 -1.205 3.021 1.00 0.00 H new ATOM 0 HG2 MET A 13 25.074 -0.330 3.116 1.00 0.00 H new ATOM 0 HG3 MET A 13 25.124 -1.779 2.132 1.00 0.00 H new ATOM 0 HE1 MET A 13 26.356 2.442 1.125 1.00 0.00 H new ATOM 0 HE2 MET A 13 24.862 2.115 2.035 1.00 0.00 H new ATOM 0 HE3 MET A 13 26.426 1.539 2.657 1.00 0.00 H new ATOM 196 N SER A 14 21.960 -3.426 2.084 1.00 0.00 N ATOM 197 CA SER A 14 21.851 -4.848 2.544 1.00 0.00 C ATOM 198 C SER A 14 21.340 -4.921 3.986 1.00 0.00 C ATOM 199 O SER A 14 21.717 -5.801 4.734 1.00 0.00 O ATOM 200 CB SER A 14 23.222 -5.547 2.449 1.00 0.00 C ATOM 201 OG SER A 14 24.152 -4.613 3.001 1.00 0.00 O ATOM 0 H SER A 14 21.284 -2.793 2.512 1.00 0.00 H new ATOM 0 HA SER A 14 21.138 -5.356 1.894 1.00 0.00 H new ATOM 0 HB2 SER A 14 23.227 -6.484 3.005 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.471 -5.788 1.416 1.00 0.00 H new ATOM 0 HG SER A 14 24.631 -4.161 2.275 1.00 0.00 H new ATOM 207 N LYS A 15 20.486 -3.991 4.346 1.00 0.00 N ATOM 208 CA LYS A 15 19.929 -3.979 5.731 1.00 0.00 C ATOM 209 C LYS A 15 18.407 -4.179 5.662 1.00 0.00 C ATOM 210 O LYS A 15 17.677 -3.299 5.243 1.00 0.00 O ATOM 211 CB LYS A 15 20.257 -2.619 6.373 1.00 0.00 C ATOM 212 CG LYS A 15 21.781 -2.403 6.354 1.00 0.00 C ATOM 213 CD LYS A 15 22.199 -1.587 7.590 1.00 0.00 C ATOM 214 CE LYS A 15 23.095 -0.425 7.153 1.00 0.00 C ATOM 215 NZ LYS A 15 23.855 0.113 8.323 1.00 0.00 N ATOM 0 H LYS A 15 20.153 -3.242 3.739 1.00 0.00 H new ATOM 0 HA LYS A 15 20.364 -4.780 6.328 1.00 0.00 H new ATOM 0 HB2 LYS A 15 19.758 -1.817 5.829 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.886 -2.588 7.398 1.00 0.00 H new ATOM 0 HG2 LYS A 15 22.295 -3.364 6.349 1.00 0.00 H new ATOM 0 HG3 LYS A 15 22.074 -1.880 5.444 1.00 0.00 H new ATOM 0 HD2 LYS A 15 21.316 -1.207 8.104 1.00 0.00 H new ATOM 0 HD3 LYS A 15 22.730 -2.224 8.297 1.00 0.00 H new ATOM 0 HE2 LYS A 15 23.790 -0.762 6.383 1.00 0.00 H new ATOM 0 HE3 LYS A 15 22.488 0.365 6.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 24.459 0.901 8.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 23.187 0.452 9.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 24.448 -0.639 8.727 1.00 0.00 H new ATOM 229 N THR A 16 17.966 -5.339 6.082 1.00 0.00 N ATOM 230 CA THR A 16 16.504 -5.651 6.056 1.00 0.00 C ATOM 231 C THR A 16 15.625 -4.595 6.748 1.00 0.00 C ATOM 232 O THR A 16 16.007 -4.009 7.743 1.00 0.00 O ATOM 233 CB THR A 16 16.259 -7.017 6.722 1.00 0.00 C ATOM 234 OG1 THR A 16 17.523 -7.627 6.867 1.00 0.00 O ATOM 235 CG2 THR A 16 15.520 -7.959 5.774 1.00 0.00 C ATOM 0 H THR A 16 18.559 -6.086 6.443 1.00 0.00 H new ATOM 0 HA THR A 16 16.215 -5.660 5.005 1.00 0.00 H new ATOM 0 HB THR A 16 15.704 -6.860 7.647 1.00 0.00 H new ATOM 0 HG1 THR A 16 18.069 -7.103 7.490 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.358 -8.918 6.267 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.558 -7.523 5.504 1.00 0.00 H new ATOM 0 HG23 THR A 16 16.115 -8.110 4.873 1.00 0.00 H new ATOM 243 N LYS A 17 14.430 -4.461 6.175 1.00 0.00 N ATOM 244 CA LYS A 17 13.355 -3.503 6.632 1.00 0.00 C ATOM 245 C LYS A 17 13.851 -2.303 7.436 1.00 0.00 C ATOM 246 O LYS A 17 13.628 -1.182 7.042 1.00 0.00 O ATOM 247 CB LYS A 17 12.300 -4.310 7.436 1.00 0.00 C ATOM 248 CG LYS A 17 11.448 -3.371 8.308 1.00 0.00 C ATOM 249 CD LYS A 17 10.447 -2.632 7.412 1.00 0.00 C ATOM 250 CE LYS A 17 9.454 -1.868 8.286 1.00 0.00 C ATOM 251 NZ LYS A 17 10.029 -0.553 8.678 1.00 0.00 N ATOM 0 H LYS A 17 14.150 -5.013 5.364 1.00 0.00 H new ATOM 0 HA LYS A 17 12.924 -3.058 5.735 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.657 -4.862 6.750 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.800 -5.046 8.066 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.920 -3.942 9.072 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.087 -2.657 8.828 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.973 -1.943 6.752 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.918 -3.342 6.776 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.520 -1.719 7.745 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.217 -2.451 9.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.322 -0.011 9.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.871 -0.705 9.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.296 -0.022 7.824 1.00 0.00 H new ATOM 265 N ASN A 18 14.485 -2.536 8.532 1.00 0.00 N ATOM 266 CA ASN A 18 14.974 -1.383 9.330 1.00 0.00 C ATOM 267 C ASN A 18 16.479 -1.307 9.419 1.00 0.00 C ATOM 268 O ASN A 18 17.066 -0.263 9.243 1.00 0.00 O ATOM 269 CB ASN A 18 14.513 -1.562 10.732 1.00 0.00 C ATOM 270 CG ASN A 18 13.303 -0.671 10.986 1.00 0.00 C ATOM 271 OD1 ASN A 18 12.352 -0.661 10.224 1.00 0.00 O ATOM 272 ND2 ASN A 18 13.289 0.087 12.032 1.00 0.00 N ATOM 0 H ASN A 18 14.689 -3.460 8.914 1.00 0.00 H new ATOM 0 HA ASN A 18 14.595 -0.487 8.838 1.00 0.00 H new ATOM 0 HB2 ASN A 18 14.254 -2.606 10.910 1.00 0.00 H new ATOM 0 HB3 ASN A 18 15.316 -1.310 11.425 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.486 0.688 12.215 1.00 0.00 H new ATOM 0 HD22 ASN A 18 14.081 0.084 12.675 1.00 0.00 H new ATOM 279 N GLY A 19 17.078 -2.399 9.745 1.00 0.00 N ATOM 280 CA GLY A 19 18.531 -2.392 9.852 1.00 0.00 C ATOM 281 C GLY A 19 19.104 -3.794 10.081 1.00 0.00 C ATOM 282 O GLY A 19 20.246 -3.935 10.465 1.00 0.00 O ATOM 0 H GLY A 19 16.622 -3.290 9.940 1.00 0.00 H new ATOM 0 HA2 GLY A 19 18.958 -1.972 8.941 1.00 0.00 H new ATOM 0 HA3 GLY A 19 18.829 -1.741 10.674 1.00 0.00 H new ATOM 286 N ILE A 20 18.318 -4.805 9.836 1.00 0.00 N ATOM 287 CA ILE A 20 18.831 -6.192 10.044 1.00 0.00 C ATOM 288 C ILE A 20 19.804 -6.574 8.928 1.00 0.00 C ATOM 289 O ILE A 20 19.424 -6.665 7.793 1.00 0.00 O ATOM 290 CB ILE A 20 17.645 -7.161 10.004 1.00 0.00 C ATOM 291 CG1 ILE A 20 16.625 -6.817 11.086 1.00 0.00 C ATOM 292 CG2 ILE A 20 18.159 -8.595 10.255 1.00 0.00 C ATOM 293 CD1 ILE A 20 15.392 -7.719 10.915 1.00 0.00 C ATOM 0 H ILE A 20 17.356 -4.736 9.505 1.00 0.00 H new ATOM 0 HA ILE A 20 19.347 -6.242 11.003 1.00 0.00 H new ATOM 0 HB ILE A 20 17.168 -7.084 9.027 1.00 0.00 H new ATOM 0 HG12 ILE A 20 17.062 -6.960 12.074 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.337 -5.768 11.013 1.00 0.00 H new ATOM 0 HG21 ILE A 20 17.321 -9.292 10.228 1.00 0.00 H new ATOM 0 HG22 ILE A 20 18.879 -8.864 9.482 1.00 0.00 H new ATOM 0 HG23 ILE A 20 18.640 -8.643 11.232 1.00 0.00 H new ATOM 0 HD11 ILE A 20 14.657 -7.481 11.684 1.00 0.00 H new ATOM 0 HD12 ILE A 20 14.954 -7.554 9.931 1.00 0.00 H new ATOM 0 HD13 ILE A 20 15.689 -8.763 11.009 1.00 0.00 H new ATOM 305 N THR A 21 21.050 -6.763 9.249 1.00 0.00 N ATOM 306 CA THR A 21 22.004 -7.136 8.182 1.00 0.00 C ATOM 307 C THR A 21 21.450 -8.317 7.373 1.00 0.00 C ATOM 308 O THR A 21 21.180 -9.365 7.927 1.00 0.00 O ATOM 309 CB THR A 21 23.329 -7.545 8.832 1.00 0.00 C ATOM 310 OG1 THR A 21 23.445 -6.735 9.986 1.00 0.00 O ATOM 311 CG2 THR A 21 24.513 -7.128 7.958 1.00 0.00 C ATOM 0 H THR A 21 21.441 -6.677 10.187 1.00 0.00 H new ATOM 0 HA THR A 21 22.156 -6.289 7.513 1.00 0.00 H new ATOM 0 HB THR A 21 23.338 -8.621 9.006 1.00 0.00 H new ATOM 0 HG1 THR A 21 24.279 -6.950 10.454 1.00 0.00 H new ATOM 0 HG21 THR A 21 25.444 -7.428 8.439 1.00 0.00 H new ATOM 0 HG22 THR A 21 24.435 -7.612 6.984 1.00 0.00 H new ATOM 0 HG23 THR A 21 24.505 -6.046 7.827 1.00 0.00 H new ATOM 319 N CYS A 22 21.280 -8.124 6.081 1.00 0.00 N ATOM 320 CA CYS A 22 20.741 -9.237 5.235 1.00 0.00 C ATOM 321 C CYS A 22 21.762 -10.399 5.075 1.00 0.00 C ATOM 322 O CYS A 22 22.193 -10.963 6.058 1.00 0.00 O ATOM 323 CB CYS A 22 20.311 -8.657 3.858 1.00 0.00 C ATOM 324 SG CYS A 22 18.659 -7.873 3.776 1.00 0.00 S ATOM 0 H CYS A 22 21.488 -7.257 5.585 1.00 0.00 H new ATOM 0 HA CYS A 22 19.873 -9.670 5.732 1.00 0.00 H new ATOM 0 HB2 CYS A 22 21.053 -7.919 3.553 1.00 0.00 H new ATOM 0 HB3 CYS A 22 20.342 -9.463 3.125 1.00 0.00 H new ATOM 329 N GLN A 23 22.135 -10.742 3.864 1.00 0.00 N ATOM 330 CA GLN A 23 23.121 -11.874 3.710 1.00 0.00 C ATOM 331 C GLN A 23 23.661 -12.007 2.272 1.00 0.00 C ATOM 332 O GLN A 23 24.489 -11.242 1.839 1.00 0.00 O ATOM 333 CB GLN A 23 22.327 -13.125 4.020 1.00 0.00 C ATOM 334 CG GLN A 23 21.019 -13.064 3.210 1.00 0.00 C ATOM 335 CD GLN A 23 20.585 -14.489 2.900 1.00 0.00 C ATOM 336 OE1 GLN A 23 20.627 -14.920 1.774 1.00 0.00 O ATOM 337 NE2 GLN A 23 20.175 -15.255 3.873 1.00 0.00 N ATOM 0 H GLN A 23 21.815 -10.307 2.998 1.00 0.00 H new ATOM 0 HA GLN A 23 23.980 -11.705 4.360 1.00 0.00 H new ATOM 0 HB2 GLN A 23 22.898 -14.015 3.757 1.00 0.00 H new ATOM 0 HB3 GLN A 23 22.113 -13.187 5.087 1.00 0.00 H new ATOM 0 HG2 GLN A 23 20.245 -12.546 3.776 1.00 0.00 H new ATOM 0 HG3 GLN A 23 21.169 -12.503 2.288 1.00 0.00 H new ATOM 0 HE21 GLN A 23 20.138 -14.893 4.826 1.00 0.00 H new ATOM 0 HE22 GLN A 23 19.891 -16.216 3.681 1.00 0.00 H new ATOM 346 N LYS A 24 23.214 -13.034 1.601 1.00 0.00 N ATOM 347 CA LYS A 24 23.631 -13.282 0.233 1.00 0.00 C ATOM 348 C LYS A 24 22.793 -14.404 -0.247 1.00 0.00 C ATOM 349 O LYS A 24 22.927 -15.485 0.242 1.00 0.00 O ATOM 350 CB LYS A 24 25.086 -13.702 0.200 1.00 0.00 C ATOM 351 CG LYS A 24 25.484 -14.050 -1.246 1.00 0.00 C ATOM 352 CD LYS A 24 26.511 -15.193 -1.232 1.00 0.00 C ATOM 353 CE LYS A 24 27.903 -14.631 -1.537 1.00 0.00 C ATOM 354 NZ LYS A 24 28.264 -13.584 -0.538 1.00 0.00 N ATOM 0 H LYS A 24 22.558 -13.720 1.975 1.00 0.00 H new ATOM 0 HA LYS A 24 23.520 -12.390 -0.383 1.00 0.00 H new ATOM 0 HB2 LYS A 24 25.717 -12.898 0.579 1.00 0.00 H new ATOM 0 HB3 LYS A 24 25.242 -14.563 0.849 1.00 0.00 H new ATOM 0 HG2 LYS A 24 24.603 -14.345 -1.816 1.00 0.00 H new ATOM 0 HG3 LYS A 24 25.905 -13.174 -1.740 1.00 0.00 H new ATOM 0 HD2 LYS A 24 26.511 -15.685 -0.259 1.00 0.00 H new ATOM 0 HD3 LYS A 24 26.242 -15.948 -1.971 1.00 0.00 H new ATOM 0 HE2 LYS A 24 28.640 -15.434 -1.516 1.00 0.00 H new ATOM 0 HE3 LYS A 24 27.921 -14.208 -2.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 29.180 -13.162 -0.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 27.532 -12.845 -0.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 28.332 -14.014 0.406 1.00 0.00 H new ATOM 368 N TRP A 25 21.924 -14.121 -1.158 1.00 0.00 N ATOM 369 CA TRP A 25 21.034 -15.195 -1.699 1.00 0.00 C ATOM 370 C TRP A 25 21.755 -16.550 -1.622 1.00 0.00 C ATOM 371 O TRP A 25 22.369 -16.987 -2.571 1.00 0.00 O ATOM 372 CB TRP A 25 20.684 -14.837 -3.169 1.00 0.00 C ATOM 373 CG TRP A 25 20.322 -13.329 -3.292 1.00 0.00 C ATOM 374 CD1 TRP A 25 20.836 -12.518 -4.203 1.00 0.00 C ATOM 375 CD2 TRP A 25 19.444 -12.677 -2.537 1.00 0.00 C ATOM 376 NE1 TRP A 25 20.226 -11.336 -3.967 1.00 0.00 N ATOM 377 CE2 TRP A 25 19.328 -11.352 -2.933 1.00 0.00 C ATOM 378 CE3 TRP A 25 18.705 -13.130 -1.474 1.00 0.00 C ATOM 379 CZ2 TRP A 25 18.465 -10.497 -2.262 1.00 0.00 C ATOM 380 CZ3 TRP A 25 17.854 -12.278 -0.800 1.00 0.00 C ATOM 381 CH2 TRP A 25 17.733 -10.962 -1.197 1.00 0.00 C ATOM 0 H TRP A 25 21.782 -13.194 -1.560 1.00 0.00 H new ATOM 0 HA TRP A 25 20.117 -15.268 -1.114 1.00 0.00 H new ATOM 0 HB2 TRP A 25 21.530 -15.068 -3.817 1.00 0.00 H new ATOM 0 HB3 TRP A 25 19.847 -15.447 -3.508 1.00 0.00 H new ATOM 0 HD1 TRP A 25 21.572 -12.748 -4.959 1.00 0.00 H new ATOM 0 HE1 TRP A 25 20.419 -10.498 -4.515 1.00 0.00 H new ATOM 0 HE3 TRP A 25 18.790 -14.161 -1.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 18.369 -9.468 -2.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 17.281 -12.642 0.040 1.00 0.00 H new ATOM 0 HH2 TRP A 25 17.063 -10.298 -0.671 1.00 0.00 H new ATOM 392 N SER A 26 21.631 -17.199 -0.470 1.00 0.00 N ATOM 393 CA SER A 26 22.289 -18.515 -0.273 1.00 0.00 C ATOM 394 C SER A 26 21.688 -19.288 0.929 1.00 0.00 C ATOM 395 O SER A 26 22.096 -19.112 2.056 1.00 0.00 O ATOM 396 CB SER A 26 23.750 -18.196 0.042 1.00 0.00 C ATOM 397 OG SER A 26 24.364 -18.029 -1.233 1.00 0.00 O ATOM 0 H SER A 26 21.099 -16.859 0.331 1.00 0.00 H new ATOM 0 HA SER A 26 22.159 -19.137 -1.158 1.00 0.00 H new ATOM 0 HB2 SER A 26 23.837 -17.293 0.646 1.00 0.00 H new ATOM 0 HB3 SER A 26 24.219 -19.002 0.606 1.00 0.00 H new ATOM 0 HG SER A 26 23.674 -18.013 -1.929 1.00 0.00 H new ATOM 403 N SER A 27 20.740 -20.131 0.633 1.00 0.00 N ATOM 404 CA SER A 27 20.036 -20.974 1.698 1.00 0.00 C ATOM 405 C SER A 27 20.966 -21.765 2.647 1.00 0.00 C ATOM 406 O SER A 27 21.869 -22.446 2.212 1.00 0.00 O ATOM 407 CB SER A 27 19.153 -22.000 0.962 1.00 0.00 C ATOM 408 OG SER A 27 19.659 -22.004 -0.369 1.00 0.00 O ATOM 0 H SER A 27 20.401 -20.290 -0.316 1.00 0.00 H new ATOM 0 HA SER A 27 19.488 -20.272 2.326 1.00 0.00 H new ATOM 0 HB2 SER A 27 19.225 -22.987 1.418 1.00 0.00 H new ATOM 0 HB3 SER A 27 18.102 -21.712 0.988 1.00 0.00 H new ATOM 0 HG SER A 27 19.148 -22.640 -0.912 1.00 0.00 H new ATOM 414 N THR A 28 20.668 -21.677 3.954 1.00 0.00 N ATOM 415 CA THR A 28 21.499 -22.408 5.008 1.00 0.00 C ATOM 416 C THR A 28 22.961 -22.340 4.695 1.00 0.00 C ATOM 417 O THR A 28 23.763 -23.097 5.209 1.00 0.00 O ATOM 418 CB THR A 28 21.045 -23.865 4.974 1.00 0.00 C ATOM 419 OG1 THR A 28 21.975 -24.558 4.160 1.00 0.00 O ATOM 420 CG2 THR A 28 19.756 -23.952 4.192 1.00 0.00 C ATOM 0 H THR A 28 19.890 -21.134 4.329 1.00 0.00 H new ATOM 0 HA THR A 28 21.355 -21.950 5.987 1.00 0.00 H new ATOM 0 HB THR A 28 20.950 -24.252 5.989 1.00 0.00 H new ATOM 0 HG1 THR A 28 21.724 -25.504 4.109 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.419 -24.988 4.159 1.00 0.00 H new ATOM 0 HG22 THR A 28 18.995 -23.338 4.675 1.00 0.00 H new ATOM 0 HG23 THR A 28 19.922 -23.592 3.177 1.00 0.00 H new ATOM 428 N SER A 29 23.285 -21.419 3.882 1.00 0.00 N ATOM 429 CA SER A 29 24.662 -21.262 3.504 1.00 0.00 C ATOM 430 C SER A 29 24.888 -19.854 2.930 1.00 0.00 C ATOM 431 O SER A 29 25.455 -19.685 1.878 1.00 0.00 O ATOM 432 CB SER A 29 24.898 -22.376 2.446 1.00 0.00 C ATOM 433 OG SER A 29 24.683 -21.764 1.181 1.00 0.00 O ATOM 0 H SER A 29 22.636 -20.757 3.457 1.00 0.00 H new ATOM 0 HA SER A 29 25.358 -21.357 4.338 1.00 0.00 H new ATOM 0 HB2 SER A 29 25.909 -22.776 2.519 1.00 0.00 H new ATOM 0 HB3 SER A 29 24.213 -23.210 2.598 1.00 0.00 H new ATOM 0 HG SER A 29 25.418 -21.145 0.988 1.00 0.00 H new ATOM 439 N PRO A 30 24.523 -18.848 3.725 1.00 0.00 N ATOM 440 CA PRO A 30 23.986 -19.030 5.101 1.00 0.00 C ATOM 441 C PRO A 30 22.447 -19.174 5.274 1.00 0.00 C ATOM 442 O PRO A 30 22.020 -19.812 6.221 1.00 0.00 O ATOM 443 CB PRO A 30 24.403 -17.722 5.796 1.00 0.00 C ATOM 444 CG PRO A 30 24.680 -16.680 4.664 1.00 0.00 C ATOM 445 CD PRO A 30 24.712 -17.453 3.333 1.00 0.00 C ATOM 0 HA PRO A 30 24.370 -19.974 5.489 1.00 0.00 H new ATOM 0 HB2 PRO A 30 23.615 -17.370 6.462 1.00 0.00 H new ATOM 0 HB3 PRO A 30 25.292 -17.875 6.407 1.00 0.00 H new ATOM 0 HG2 PRO A 30 23.903 -15.915 4.646 1.00 0.00 H new ATOM 0 HG3 PRO A 30 25.627 -16.169 4.835 1.00 0.00 H new ATOM 0 HD2 PRO A 30 23.924 -17.118 2.659 1.00 0.00 H new ATOM 0 HD3 PRO A 30 25.659 -17.310 2.812 1.00 0.00 H new ATOM 453 N HIS A 31 21.632 -18.618 4.405 1.00 0.00 N ATOM 454 CA HIS A 31 20.152 -18.790 4.637 1.00 0.00 C ATOM 455 C HIS A 31 19.264 -18.397 3.436 1.00 0.00 C ATOM 456 O HIS A 31 19.739 -18.213 2.351 1.00 0.00 O ATOM 457 CB HIS A 31 19.790 -17.906 5.850 1.00 0.00 C ATOM 458 CG HIS A 31 18.533 -18.451 6.511 1.00 0.00 C ATOM 459 ND1 HIS A 31 17.281 -17.912 6.548 1.00 0.00 N flip ATOM 460 CD2 HIS A 31 18.445 -19.539 7.118 1.00 0.00 C flip ATOM 461 CE1 HIS A 31 16.446 -18.743 7.205 1.00 0.00 C flip ATOM 462 NE2 HIS A 31 17.260 -19.738 7.527 1.00 0.00 N flip ATOM 0 H HIS A 31 21.904 -18.078 3.584 1.00 0.00 H new ATOM 0 HA HIS A 31 19.958 -19.850 4.801 1.00 0.00 H new ATOM 0 HB2 HIS A 31 20.614 -17.893 6.564 1.00 0.00 H new ATOM 0 HB3 HIS A 31 19.629 -16.877 5.530 1.00 0.00 H new ATOM 0 HD2 HIS A 31 19.268 -20.220 7.274 1.00 0.00 H new ATOM 0 HE1 HIS A 31 15.393 -18.628 7.414 1.00 0.00 H new ATOM 0 HE2 HIS A 31 16.968 -20.568 8.044 1.00 0.00 H new ATOM 470 N ARG A 32 17.961 -18.327 3.717 1.00 0.00 N ATOM 471 CA ARG A 32 16.887 -17.958 2.698 1.00 0.00 C ATOM 472 C ARG A 32 16.855 -18.848 1.419 1.00 0.00 C ATOM 473 O ARG A 32 17.806 -19.503 1.073 1.00 0.00 O ATOM 474 CB ARG A 32 17.001 -16.442 2.351 1.00 0.00 C ATOM 475 CG ARG A 32 18.228 -16.104 1.500 1.00 0.00 C ATOM 476 CD ARG A 32 18.084 -16.700 0.099 1.00 0.00 C ATOM 477 NE ARG A 32 19.121 -17.774 -0.091 1.00 0.00 N ATOM 478 CZ ARG A 32 19.171 -18.436 -1.215 1.00 0.00 C ATOM 479 NH1 ARG A 32 19.460 -17.810 -2.295 1.00 0.00 N ATOM 480 NH2 ARG A 32 18.911 -19.692 -1.211 1.00 0.00 N ATOM 0 H ARG A 32 17.586 -18.518 4.646 1.00 0.00 H new ATOM 0 HA ARG A 32 15.927 -18.160 3.174 1.00 0.00 H new ATOM 0 HB2 ARG A 32 16.102 -16.130 1.819 1.00 0.00 H new ATOM 0 HB3 ARG A 32 17.040 -15.867 3.276 1.00 0.00 H new ATOM 0 HG2 ARG A 32 18.345 -15.022 1.432 1.00 0.00 H new ATOM 0 HG3 ARG A 32 19.128 -16.492 1.977 1.00 0.00 H new ATOM 0 HD2 ARG A 32 17.085 -17.115 -0.031 1.00 0.00 H new ATOM 0 HD3 ARG A 32 18.207 -15.922 -0.655 1.00 0.00 H new ATOM 0 HE ARG A 32 19.783 -17.984 0.656 1.00 0.00 H new ATOM 0 HH11 ARG A 32 19.647 -16.808 -2.269 1.00 0.00 H new ATOM 0 HH12 ARG A 32 19.503 -18.314 -3.181 1.00 0.00 H new ATOM 0 HH21 ARG A 32 18.669 -20.160 -0.338 1.00 0.00 H new ATOM 0 HH22 ARG A 32 18.946 -20.223 -2.081 1.00 0.00 H new ATOM 494 N PRO A 33 15.675 -18.870 0.771 1.00 0.00 N ATOM 495 CA PRO A 33 15.447 -19.662 -0.468 1.00 0.00 C ATOM 496 C PRO A 33 16.231 -19.143 -1.695 1.00 0.00 C ATOM 497 O PRO A 33 16.658 -18.020 -1.746 1.00 0.00 O ATOM 498 CB PRO A 33 13.932 -19.527 -0.742 1.00 0.00 C ATOM 499 CG PRO A 33 13.351 -18.528 0.302 1.00 0.00 C ATOM 500 CD PRO A 33 14.488 -18.147 1.264 1.00 0.00 C ATOM 0 HA PRO A 33 15.790 -20.686 -0.320 1.00 0.00 H new ATOM 0 HB2 PRO A 33 13.757 -19.166 -1.756 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.440 -20.496 -0.659 1.00 0.00 H new ATOM 0 HG2 PRO A 33 12.957 -17.642 -0.195 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.524 -18.982 0.848 1.00 0.00 H new ATOM 0 HD2 PRO A 33 14.657 -17.070 1.266 1.00 0.00 H new ATOM 0 HD3 PRO A 33 14.250 -18.435 2.288 1.00 0.00 H new ATOM 508 N ARG A 34 16.350 -19.993 -2.685 1.00 0.00 N ATOM 509 CA ARG A 34 17.092 -19.609 -3.931 1.00 0.00 C ATOM 510 C ARG A 34 16.300 -18.632 -4.808 1.00 0.00 C ATOM 511 O ARG A 34 16.639 -18.415 -5.957 1.00 0.00 O ATOM 512 CB ARG A 34 17.367 -20.894 -4.741 1.00 0.00 C ATOM 513 CG ARG A 34 16.135 -21.816 -4.689 1.00 0.00 C ATOM 514 CD ARG A 34 16.315 -22.847 -3.563 1.00 0.00 C ATOM 515 NE ARG A 34 14.994 -23.064 -2.885 1.00 0.00 N ATOM 516 CZ ARG A 34 14.191 -23.968 -3.332 1.00 0.00 C ATOM 517 NH1 ARG A 34 13.873 -23.954 -4.574 1.00 0.00 N ATOM 518 NH2 ARG A 34 13.737 -24.851 -2.518 1.00 0.00 N ATOM 0 H ARG A 34 15.966 -20.938 -2.686 1.00 0.00 H new ATOM 0 HA ARG A 34 18.015 -19.109 -3.636 1.00 0.00 H new ATOM 0 HB2 ARG A 34 17.600 -20.640 -5.775 1.00 0.00 H new ATOM 0 HB3 ARG A 34 18.237 -21.411 -4.336 1.00 0.00 H new ATOM 0 HG2 ARG A 34 15.234 -21.227 -4.517 1.00 0.00 H new ATOM 0 HG3 ARG A 34 16.007 -22.324 -5.645 1.00 0.00 H new ATOM 0 HD2 ARG A 34 16.689 -23.787 -3.969 1.00 0.00 H new ATOM 0 HD3 ARG A 34 17.054 -22.494 -2.844 1.00 0.00 H new ATOM 0 HE ARG A 34 14.733 -22.500 -2.076 1.00 0.00 H new ATOM 0 HH11 ARG A 34 14.254 -23.236 -5.190 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.239 -24.661 -4.946 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.013 -24.829 -1.536 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.101 -25.574 -2.853 1.00 0.00 H new ATOM 532 N PHE A 35 15.270 -18.063 -4.258 1.00 0.00 N ATOM 533 CA PHE A 35 14.448 -17.096 -5.052 1.00 0.00 C ATOM 534 C PHE A 35 15.331 -15.924 -5.555 1.00 0.00 C ATOM 535 O PHE A 35 15.435 -14.885 -4.937 1.00 0.00 O ATOM 536 CB PHE A 35 13.264 -16.630 -4.125 1.00 0.00 C ATOM 537 CG PHE A 35 12.975 -15.109 -4.173 1.00 0.00 C ATOM 538 CD1 PHE A 35 12.977 -14.390 -5.359 1.00 0.00 C ATOM 539 CD2 PHE A 35 12.679 -14.444 -3.002 1.00 0.00 C ATOM 540 CE1 PHE A 35 12.693 -13.047 -5.362 1.00 0.00 C ATOM 541 CE2 PHE A 35 12.393 -13.104 -3.012 1.00 0.00 C ATOM 542 CZ PHE A 35 12.402 -12.406 -4.190 1.00 0.00 C ATOM 0 H PHE A 35 14.957 -18.219 -3.300 1.00 0.00 H new ATOM 0 HA PHE A 35 14.034 -17.554 -5.950 1.00 0.00 H new ATOM 0 HB2 PHE A 35 12.361 -17.168 -4.412 1.00 0.00 H new ATOM 0 HB3 PHE A 35 13.491 -16.912 -3.097 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.204 -14.891 -6.288 1.00 0.00 H new ATOM 0 HD2 PHE A 35 12.673 -14.985 -2.067 1.00 0.00 H new ATOM 0 HE1 PHE A 35 12.699 -12.496 -6.291 1.00 0.00 H new ATOM 0 HE2 PHE A 35 12.160 -12.597 -2.088 1.00 0.00 H new ATOM 0 HZ PHE A 35 12.179 -11.349 -4.193 1.00 0.00 H new ATOM 552 N SER A 36 15.997 -16.166 -6.679 1.00 0.00 N ATOM 553 CA SER A 36 16.885 -15.105 -7.266 1.00 0.00 C ATOM 554 C SER A 36 16.884 -15.023 -8.842 1.00 0.00 C ATOM 555 O SER A 36 17.692 -14.303 -9.401 1.00 0.00 O ATOM 556 CB SER A 36 18.345 -15.359 -6.798 1.00 0.00 C ATOM 557 OG SER A 36 18.231 -16.067 -5.560 1.00 0.00 O ATOM 0 H SER A 36 15.960 -17.041 -7.202 1.00 0.00 H new ATOM 0 HA SER A 36 16.481 -14.157 -6.910 1.00 0.00 H new ATOM 0 HB2 SER A 36 18.897 -15.942 -7.535 1.00 0.00 H new ATOM 0 HB3 SER A 36 18.884 -14.421 -6.666 1.00 0.00 H new ATOM 0 HG SER A 36 19.072 -16.533 -5.371 1.00 0.00 H new ATOM 563 N PRO A 37 15.998 -15.757 -9.528 1.00 0.00 N ATOM 564 CA PRO A 37 15.944 -15.725 -11.005 1.00 0.00 C ATOM 565 C PRO A 37 15.759 -14.303 -11.557 1.00 0.00 C ATOM 566 O PRO A 37 14.817 -13.610 -11.217 1.00 0.00 O ATOM 567 CB PRO A 37 14.710 -16.577 -11.367 1.00 0.00 C ATOM 568 CG PRO A 37 14.139 -17.146 -10.041 1.00 0.00 C ATOM 569 CD PRO A 37 15.039 -16.665 -8.911 1.00 0.00 C ATOM 0 HA PRO A 37 16.876 -16.096 -11.432 1.00 0.00 H new ATOM 0 HB2 PRO A 37 13.962 -15.972 -11.880 1.00 0.00 H new ATOM 0 HB3 PRO A 37 14.986 -17.385 -12.045 1.00 0.00 H new ATOM 0 HG2 PRO A 37 13.115 -16.805 -9.887 1.00 0.00 H new ATOM 0 HG3 PRO A 37 14.111 -18.235 -10.072 1.00 0.00 H new ATOM 0 HD2 PRO A 37 14.460 -16.158 -8.139 1.00 0.00 H new ATOM 0 HD3 PRO A 37 15.546 -17.502 -8.431 1.00 0.00 H new ATOM 577 N ALA A 38 16.656 -13.912 -12.425 1.00 0.00 N ATOM 578 CA ALA A 38 16.574 -12.549 -13.029 1.00 0.00 C ATOM 579 C ALA A 38 15.308 -12.377 -13.877 1.00 0.00 C ATOM 580 O ALA A 38 15.026 -11.308 -14.357 1.00 0.00 O ATOM 581 CB ALA A 38 17.796 -12.365 -13.932 1.00 0.00 C ATOM 0 H ALA A 38 17.443 -14.479 -12.742 1.00 0.00 H new ATOM 0 HA ALA A 38 16.544 -11.811 -12.228 1.00 0.00 H new ATOM 0 HB1 ALA A 38 17.765 -11.376 -14.389 1.00 0.00 H new ATOM 0 HB2 ALA A 38 18.705 -12.462 -13.338 1.00 0.00 H new ATOM 0 HB3 ALA A 38 17.790 -13.126 -14.712 1.00 0.00 H new ATOM 587 N THR A 39 14.569 -13.433 -14.035 1.00 0.00 N ATOM 588 CA THR A 39 13.323 -13.354 -14.843 1.00 0.00 C ATOM 589 C THR A 39 12.218 -12.629 -14.077 1.00 0.00 C ATOM 590 O THR A 39 11.057 -12.715 -14.423 1.00 0.00 O ATOM 591 CB THR A 39 12.846 -14.780 -15.135 1.00 0.00 C ATOM 592 OG1 THR A 39 12.435 -15.292 -13.880 1.00 0.00 O ATOM 593 CG2 THR A 39 14.016 -15.682 -15.550 1.00 0.00 C ATOM 0 H THR A 39 14.773 -14.351 -13.639 1.00 0.00 H new ATOM 0 HA THR A 39 13.535 -12.806 -15.761 1.00 0.00 H new ATOM 0 HB THR A 39 12.086 -14.762 -15.917 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.112 -16.211 -13.991 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.647 -16.688 -15.751 1.00 0.00 H new ATOM 0 HG22 THR A 39 14.483 -15.281 -16.449 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.750 -15.719 -14.745 1.00 0.00 H new ATOM 601 N HIS A 40 12.605 -11.937 -13.047 1.00 0.00 N ATOM 602 CA HIS A 40 11.606 -11.193 -12.229 1.00 0.00 C ATOM 603 C HIS A 40 11.702 -9.676 -12.473 1.00 0.00 C ATOM 604 O HIS A 40 12.719 -9.185 -12.898 1.00 0.00 O ATOM 605 CB HIS A 40 11.911 -11.509 -10.759 1.00 0.00 C ATOM 606 CG HIS A 40 11.615 -12.980 -10.515 1.00 0.00 C ATOM 607 ND1 HIS A 40 12.023 -13.923 -11.227 1.00 0.00 N ATOM 608 CD2 HIS A 40 10.865 -13.559 -9.532 1.00 0.00 C ATOM 609 CE1 HIS A 40 11.602 -15.039 -10.795 1.00 0.00 C ATOM 610 NE2 HIS A 40 10.851 -14.905 -9.708 1.00 0.00 N ATOM 0 H HIS A 40 13.572 -11.852 -12.733 1.00 0.00 H new ATOM 0 HA HIS A 40 10.595 -11.497 -12.501 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.954 -11.289 -10.532 1.00 0.00 H new ATOM 0 HB3 HIS A 40 11.304 -10.886 -10.103 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.361 -13.028 -8.738 1.00 0.00 H new ATOM 0 HE1 HIS A 40 11.828 -15.988 -11.258 1.00 0.00 H new ATOM 0 HE2 HIS A 40 10.387 -15.623 -9.152 1.00 0.00 H new ATOM 618 N PRO A 41 10.610 -8.967 -12.173 1.00 0.00 N ATOM 619 CA PRO A 41 10.539 -7.501 -12.350 1.00 0.00 C ATOM 620 C PRO A 41 11.807 -6.779 -11.844 1.00 0.00 C ATOM 621 O PRO A 41 12.769 -6.646 -12.572 1.00 0.00 O ATOM 622 CB PRO A 41 9.279 -7.085 -11.541 1.00 0.00 C ATOM 623 CG PRO A 41 8.521 -8.393 -11.160 1.00 0.00 C ATOM 624 CD PRO A 41 9.383 -9.578 -11.628 1.00 0.00 C ATOM 0 HA PRO A 41 10.476 -7.222 -13.402 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.562 -6.530 -10.646 1.00 0.00 H new ATOM 0 HB3 PRO A 41 8.641 -6.430 -12.134 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.355 -8.441 -10.084 1.00 0.00 H new ATOM 0 HG3 PRO A 41 7.540 -8.421 -11.635 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.611 -10.251 -10.801 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.866 -10.167 -12.385 1.00 0.00 H new ATOM 632 N SER A 42 11.789 -6.310 -10.624 1.00 0.00 N ATOM 633 CA SER A 42 12.997 -5.614 -10.110 1.00 0.00 C ATOM 634 C SER A 42 14.008 -6.669 -9.660 1.00 0.00 C ATOM 635 O SER A 42 14.221 -6.895 -8.478 1.00 0.00 O ATOM 636 CB SER A 42 12.578 -4.718 -8.931 1.00 0.00 C ATOM 637 OG SER A 42 13.053 -3.413 -9.291 1.00 0.00 O ATOM 0 H SER A 42 11.005 -6.378 -9.975 1.00 0.00 H new ATOM 0 HA SER A 42 13.454 -4.993 -10.880 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.497 -4.723 -8.792 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.021 -5.059 -7.995 1.00 0.00 H new ATOM 0 HG SER A 42 12.358 -2.939 -9.794 1.00 0.00 H new ATOM 643 N GLU A 43 14.606 -7.288 -10.644 1.00 0.00 N ATOM 644 CA GLU A 43 15.621 -8.353 -10.396 1.00 0.00 C ATOM 645 C GLU A 43 16.931 -7.830 -9.839 1.00 0.00 C ATOM 646 O GLU A 43 17.988 -8.338 -10.155 1.00 0.00 O ATOM 647 CB GLU A 43 15.891 -9.066 -11.736 1.00 0.00 C ATOM 648 CG GLU A 43 16.607 -8.100 -12.699 1.00 0.00 C ATOM 649 CD GLU A 43 16.403 -8.563 -14.142 1.00 0.00 C ATOM 650 OE1 GLU A 43 15.295 -8.385 -14.613 1.00 0.00 O ATOM 651 OE2 GLU A 43 17.371 -9.066 -14.692 1.00 0.00 O ATOM 0 H GLU A 43 14.429 -7.095 -11.630 1.00 0.00 H new ATOM 0 HA GLU A 43 15.216 -9.027 -9.641 1.00 0.00 H new ATOM 0 HB2 GLU A 43 16.504 -9.952 -11.571 1.00 0.00 H new ATOM 0 HB3 GLU A 43 14.953 -9.405 -12.175 1.00 0.00 H new ATOM 0 HG2 GLU A 43 16.217 -7.090 -12.573 1.00 0.00 H new ATOM 0 HG3 GLU A 43 17.671 -8.062 -12.466 1.00 0.00 H new ATOM 658 N GLY A 44 16.853 -6.859 -8.994 1.00 0.00 N ATOM 659 CA GLY A 44 18.114 -6.315 -8.418 1.00 0.00 C ATOM 660 C GLY A 44 18.556 -7.214 -7.261 1.00 0.00 C ATOM 661 O GLY A 44 19.155 -6.760 -6.311 1.00 0.00 O ATOM 0 H GLY A 44 15.990 -6.418 -8.675 1.00 0.00 H new ATOM 0 HA2 GLY A 44 18.891 -6.274 -9.182 1.00 0.00 H new ATOM 0 HA3 GLY A 44 17.959 -5.295 -8.066 1.00 0.00 H new ATOM 665 N LEU A 45 18.210 -8.485 -7.369 1.00 0.00 N ATOM 666 CA LEU A 45 18.575 -9.458 -6.326 1.00 0.00 C ATOM 667 C LEU A 45 20.081 -9.689 -6.262 1.00 0.00 C ATOM 668 O LEU A 45 20.561 -10.765 -6.558 1.00 0.00 O ATOM 669 CB LEU A 45 17.893 -10.789 -6.688 1.00 0.00 C ATOM 670 CG LEU A 45 16.500 -10.899 -6.044 1.00 0.00 C ATOM 671 CD1 LEU A 45 16.516 -12.119 -5.135 1.00 0.00 C ATOM 672 CD2 LEU A 45 16.153 -9.646 -5.219 1.00 0.00 C ATOM 0 H LEU A 45 17.685 -8.874 -8.152 1.00 0.00 H new ATOM 0 HA LEU A 45 18.256 -9.076 -5.356 1.00 0.00 H new ATOM 0 HB2 LEU A 45 17.802 -10.870 -7.771 1.00 0.00 H new ATOM 0 HB3 LEU A 45 18.515 -11.620 -6.357 1.00 0.00 H new ATOM 0 HG LEU A 45 15.745 -10.990 -6.825 1.00 0.00 H new ATOM 0 HD11 LEU A 45 15.542 -12.231 -4.659 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.736 -13.009 -5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 45 17.282 -11.993 -4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 45 15.162 -9.762 -4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 45 16.889 -9.518 -4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 45 16.163 -8.770 -5.867 1.00 0.00 H new ATOM 684 N GLU A 46 20.802 -8.688 -5.869 1.00 0.00 N ATOM 685 CA GLU A 46 22.261 -8.839 -5.780 1.00 0.00 C ATOM 686 C GLU A 46 22.632 -9.390 -4.400 1.00 0.00 C ATOM 687 O GLU A 46 21.810 -9.367 -3.500 1.00 0.00 O ATOM 688 CB GLU A 46 22.897 -7.448 -6.013 1.00 0.00 C ATOM 689 CG GLU A 46 23.696 -6.996 -4.784 1.00 0.00 C ATOM 690 CD GLU A 46 24.455 -5.725 -5.136 1.00 0.00 C ATOM 691 OE1 GLU A 46 25.404 -5.858 -5.882 1.00 0.00 O ATOM 692 OE2 GLU A 46 24.041 -4.695 -4.645 1.00 0.00 O ATOM 0 H GLU A 46 20.439 -7.772 -5.606 1.00 0.00 H new ATOM 0 HA GLU A 46 22.630 -9.538 -6.531 1.00 0.00 H new ATOM 0 HB2 GLU A 46 23.552 -7.485 -6.884 1.00 0.00 H new ATOM 0 HB3 GLU A 46 22.116 -6.719 -6.232 1.00 0.00 H new ATOM 0 HG2 GLU A 46 23.026 -6.816 -3.943 1.00 0.00 H new ATOM 0 HG3 GLU A 46 24.390 -7.778 -4.476 1.00 0.00 H new ATOM 699 N GLU A 47 23.853 -9.879 -4.272 1.00 0.00 N ATOM 700 CA GLU A 47 24.327 -10.450 -2.958 1.00 0.00 C ATOM 701 C GLU A 47 23.226 -10.431 -1.889 1.00 0.00 C ATOM 702 O GLU A 47 22.457 -11.359 -1.768 1.00 0.00 O ATOM 703 CB GLU A 47 25.528 -9.601 -2.471 1.00 0.00 C ATOM 704 CG GLU A 47 26.842 -10.139 -3.106 1.00 0.00 C ATOM 705 CD GLU A 47 27.523 -11.170 -2.182 1.00 0.00 C ATOM 706 OE1 GLU A 47 27.123 -11.239 -1.031 1.00 0.00 O ATOM 707 OE2 GLU A 47 28.414 -11.838 -2.681 1.00 0.00 O ATOM 0 H GLU A 47 24.543 -9.907 -5.023 1.00 0.00 H new ATOM 0 HA GLU A 47 24.611 -11.491 -3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 47 25.382 -8.556 -2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 47 25.596 -9.639 -1.384 1.00 0.00 H new ATOM 0 HG2 GLU A 47 26.622 -10.599 -4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 47 27.524 -9.310 -3.296 1.00 0.00 H new ATOM 714 N ASN A 48 23.176 -9.371 -1.151 1.00 0.00 N ATOM 715 CA ASN A 48 22.142 -9.236 -0.072 1.00 0.00 C ATOM 716 C ASN A 48 21.311 -8.008 -0.327 1.00 0.00 C ATOM 717 O ASN A 48 21.387 -7.035 0.404 1.00 0.00 O ATOM 718 CB ASN A 48 22.861 -9.048 1.268 1.00 0.00 C ATOM 719 CG ASN A 48 24.253 -8.436 1.032 1.00 0.00 C ATOM 720 OD1 ASN A 48 24.442 -7.592 0.180 1.00 0.00 O ATOM 721 ND2 ASN A 48 25.249 -8.833 1.759 1.00 0.00 N ATOM 0 H ASN A 48 23.809 -8.576 -1.240 1.00 0.00 H new ATOM 0 HA ASN A 48 21.509 -10.123 -0.057 1.00 0.00 H new ATOM 0 HB2 ASN A 48 22.274 -8.399 1.918 1.00 0.00 H new ATOM 0 HB3 ASN A 48 22.957 -10.007 1.777 1.00 0.00 H new ATOM 0 HD21 ASN A 48 26.177 -8.437 1.612 1.00 0.00 H new ATOM 0 HD22 ASN A 48 25.105 -9.541 2.479 1.00 0.00 H new ATOM 728 N TYR A 49 20.514 -8.068 -1.335 1.00 0.00 N ATOM 729 CA TYR A 49 19.689 -6.914 -1.641 1.00 0.00 C ATOM 730 C TYR A 49 18.219 -7.054 -1.367 1.00 0.00 C ATOM 731 O TYR A 49 17.730 -8.073 -0.932 1.00 0.00 O ATOM 732 CB TYR A 49 19.840 -6.688 -3.124 1.00 0.00 C ATOM 733 CG TYR A 49 20.611 -5.404 -3.296 1.00 0.00 C ATOM 734 CD1 TYR A 49 21.637 -5.108 -2.419 1.00 0.00 C ATOM 735 CD2 TYR A 49 20.278 -4.506 -4.277 1.00 0.00 C ATOM 736 CE1 TYR A 49 22.315 -3.917 -2.529 1.00 0.00 C ATOM 737 CE2 TYR A 49 20.956 -3.313 -4.388 1.00 0.00 C ATOM 738 CZ TYR A 49 21.978 -3.008 -3.517 1.00 0.00 C ATOM 739 OH TYR A 49 22.671 -1.827 -3.645 1.00 0.00 O ATOM 0 H TYR A 49 20.404 -8.870 -1.956 1.00 0.00 H new ATOM 0 HA TYR A 49 20.029 -6.105 -0.994 1.00 0.00 H new ATOM 0 HB2 TYR A 49 20.368 -7.520 -3.590 1.00 0.00 H new ATOM 0 HB3 TYR A 49 18.864 -6.620 -3.605 1.00 0.00 H new ATOM 0 HD1 TYR A 49 21.907 -5.813 -1.646 1.00 0.00 H new ATOM 0 HD2 TYR A 49 19.479 -4.736 -4.967 1.00 0.00 H new ATOM 0 HE1 TYR A 49 23.115 -3.689 -1.840 1.00 0.00 H new ATOM 0 HE2 TYR A 49 20.685 -2.612 -5.163 1.00 0.00 H new ATOM 0 HH TYR A 49 22.301 -1.310 -4.391 1.00 0.00 H new ATOM 749 N CYS A 50 17.537 -5.975 -1.633 1.00 0.00 N ATOM 750 CA CYS A 50 16.093 -5.958 -1.424 1.00 0.00 C ATOM 751 C CYS A 50 15.411 -5.307 -2.580 1.00 0.00 C ATOM 752 O CYS A 50 15.668 -4.162 -2.891 1.00 0.00 O ATOM 753 CB CYS A 50 15.757 -5.121 -0.223 1.00 0.00 C ATOM 754 SG CYS A 50 16.853 -5.177 1.202 1.00 0.00 S ATOM 0 H CYS A 50 17.936 -5.106 -1.988 1.00 0.00 H new ATOM 0 HA CYS A 50 15.768 -6.991 -1.299 1.00 0.00 H new ATOM 0 HB2 CYS A 50 15.693 -4.083 -0.551 1.00 0.00 H new ATOM 0 HB3 CYS A 50 14.762 -5.411 0.114 1.00 0.00 H new ATOM 759 N ARG A 51 14.543 -6.017 -3.178 1.00 0.00 N ATOM 760 CA ARG A 51 13.823 -5.427 -4.342 1.00 0.00 C ATOM 761 C ARG A 51 12.415 -5.987 -4.436 1.00 0.00 C ATOM 762 O ARG A 51 11.836 -6.330 -3.431 1.00 0.00 O ATOM 763 CB ARG A 51 14.626 -5.738 -5.625 1.00 0.00 C ATOM 764 CG ARG A 51 15.494 -4.513 -5.970 1.00 0.00 C ATOM 765 CD ARG A 51 14.712 -3.501 -6.830 1.00 0.00 C ATOM 766 NE ARG A 51 13.363 -3.236 -6.217 1.00 0.00 N ATOM 767 CZ ARG A 51 12.837 -2.062 -6.312 1.00 0.00 C ATOM 768 NH1 ARG A 51 12.713 -1.527 -7.463 1.00 0.00 N ATOM 769 NH2 ARG A 51 12.449 -1.476 -5.241 1.00 0.00 N ATOM 0 H ARG A 51 14.286 -6.973 -2.932 1.00 0.00 H new ATOM 0 HA ARG A 51 13.739 -4.347 -4.218 1.00 0.00 H new ATOM 0 HB2 ARG A 51 15.254 -6.616 -5.475 1.00 0.00 H new ATOM 0 HB3 ARG A 51 13.950 -5.967 -6.449 1.00 0.00 H new ATOM 0 HG2 ARG A 51 15.829 -4.031 -5.052 1.00 0.00 H new ATOM 0 HG3 ARG A 51 16.387 -4.836 -6.505 1.00 0.00 H new ATOM 0 HD2 ARG A 51 15.273 -2.570 -6.910 1.00 0.00 H new ATOM 0 HD3 ARG A 51 14.591 -3.888 -7.842 1.00 0.00 H new ATOM 0 HE ARG A 51 12.867 -3.982 -5.729 1.00 0.00 H new ATOM 0 HH11 ARG A 51 13.028 -2.027 -8.294 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.299 -0.599 -7.552 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.559 -1.938 -4.338 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.030 -0.547 -5.291 1.00 0.00 H new ATOM 783 N ASN A 52 11.872 -6.058 -5.627 1.00 0.00 N ATOM 784 CA ASN A 52 10.501 -6.603 -5.741 1.00 0.00 C ATOM 785 C ASN A 52 10.335 -7.589 -6.920 1.00 0.00 C ATOM 786 O ASN A 52 9.380 -7.508 -7.671 1.00 0.00 O ATOM 787 CB ASN A 52 9.530 -5.439 -5.954 1.00 0.00 C ATOM 788 CG ASN A 52 8.726 -5.238 -4.675 1.00 0.00 C ATOM 789 OD1 ASN A 52 7.438 -5.371 -4.703 1.00 0.00 O flip ATOM 790 ND2 ASN A 52 9.271 -4.952 -3.637 1.00 0.00 N flip ATOM 0 H ASN A 52 12.312 -5.768 -6.500 1.00 0.00 H new ATOM 0 HA ASN A 52 10.295 -7.150 -4.821 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.078 -4.530 -6.204 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.864 -5.650 -6.791 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.285 -4.845 -3.606 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.718 -4.817 -2.791 1.00 0.00 H new ATOM 797 N PRO A 53 11.264 -8.504 -7.065 1.00 0.00 N ATOM 798 CA PRO A 53 11.194 -9.475 -8.136 1.00 0.00 C ATOM 799 C PRO A 53 10.012 -10.373 -7.851 1.00 0.00 C ATOM 800 O PRO A 53 9.279 -10.774 -8.730 1.00 0.00 O ATOM 801 CB PRO A 53 12.503 -10.275 -8.035 1.00 0.00 C ATOM 802 CG PRO A 53 13.303 -9.679 -6.848 1.00 0.00 C ATOM 803 CD PRO A 53 12.383 -8.651 -6.171 1.00 0.00 C ATOM 0 HA PRO A 53 11.077 -9.033 -9.126 1.00 0.00 H new ATOM 0 HB2 PRO A 53 12.298 -11.333 -7.870 1.00 0.00 H new ATOM 0 HB3 PRO A 53 13.073 -10.201 -8.961 1.00 0.00 H new ATOM 0 HG2 PRO A 53 13.594 -10.460 -6.146 1.00 0.00 H new ATOM 0 HG3 PRO A 53 14.221 -9.207 -7.198 1.00 0.00 H new ATOM 0 HD2 PRO A 53 12.060 -8.997 -5.189 1.00 0.00 H new ATOM 0 HD3 PRO A 53 12.896 -7.701 -6.022 1.00 0.00 H new ATOM 811 N ASP A 54 9.874 -10.659 -6.591 1.00 0.00 N ATOM 812 CA ASP A 54 8.774 -11.520 -6.123 1.00 0.00 C ATOM 813 C ASP A 54 7.450 -10.733 -6.208 1.00 0.00 C ATOM 814 O ASP A 54 6.390 -11.299 -6.398 1.00 0.00 O ATOM 815 CB ASP A 54 9.112 -11.901 -4.656 1.00 0.00 C ATOM 816 CG ASP A 54 8.145 -11.235 -3.683 1.00 0.00 C ATOM 817 OD1 ASP A 54 8.318 -10.041 -3.490 1.00 0.00 O ATOM 818 OD2 ASP A 54 7.302 -11.959 -3.183 1.00 0.00 O ATOM 0 H ASP A 54 10.494 -10.322 -5.855 1.00 0.00 H new ATOM 0 HA ASP A 54 8.662 -12.419 -6.729 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.065 -12.984 -4.537 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.133 -11.599 -4.424 1.00 0.00 H new ATOM 823 N ASN A 55 7.576 -9.428 -6.075 1.00 0.00 N ATOM 824 CA ASN A 55 6.391 -8.516 -6.135 1.00 0.00 C ATOM 825 C ASN A 55 5.650 -8.446 -4.804 1.00 0.00 C ATOM 826 O ASN A 55 4.573 -8.997 -4.647 1.00 0.00 O ATOM 827 CB ASN A 55 5.428 -9.005 -7.232 1.00 0.00 C ATOM 828 CG ASN A 55 4.649 -7.811 -7.781 1.00 0.00 C ATOM 829 OD1 ASN A 55 4.597 -6.756 -7.182 1.00 0.00 O ATOM 830 ND2 ASN A 55 4.035 -7.930 -8.915 1.00 0.00 N ATOM 0 H ASN A 55 8.466 -8.954 -5.925 1.00 0.00 H new ATOM 0 HA ASN A 55 6.754 -7.514 -6.363 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.986 -9.491 -8.033 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.741 -9.748 -6.826 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.513 -7.141 -9.298 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.073 -8.812 -9.425 1.00 0.00 H new ATOM 837 N ASP A 56 6.240 -7.751 -3.874 1.00 0.00 N ATOM 838 CA ASP A 56 5.600 -7.616 -2.538 1.00 0.00 C ATOM 839 C ASP A 56 5.133 -6.159 -2.351 1.00 0.00 C ATOM 840 O ASP A 56 5.937 -5.257 -2.180 1.00 0.00 O ATOM 841 CB ASP A 56 6.635 -7.984 -1.425 1.00 0.00 C ATOM 842 CG ASP A 56 5.956 -8.812 -0.319 1.00 0.00 C ATOM 843 OD1 ASP A 56 4.733 -8.825 -0.308 1.00 0.00 O ATOM 844 OD2 ASP A 56 6.705 -9.386 0.457 1.00 0.00 O ATOM 0 H ASP A 56 7.134 -7.272 -3.980 1.00 0.00 H new ATOM 0 HA ASP A 56 4.744 -8.287 -2.467 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.460 -8.550 -1.858 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.061 -7.075 -0.999 1.00 0.00 H new ATOM 849 N PRO A 57 3.826 -5.958 -2.401 1.00 0.00 N ATOM 850 CA PRO A 57 3.244 -4.618 -2.241 1.00 0.00 C ATOM 851 C PRO A 57 3.667 -3.963 -0.925 1.00 0.00 C ATOM 852 O PRO A 57 3.608 -2.757 -0.784 1.00 0.00 O ATOM 853 CB PRO A 57 1.716 -4.848 -2.254 1.00 0.00 C ATOM 854 CG PRO A 57 1.475 -6.363 -2.530 1.00 0.00 C ATOM 855 CD PRO A 57 2.853 -7.044 -2.600 1.00 0.00 C ATOM 0 HA PRO A 57 3.580 -3.946 -3.031 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.276 -4.557 -1.300 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.243 -4.238 -3.023 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.868 -6.805 -1.740 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.931 -6.501 -3.464 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.954 -7.810 -1.831 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.002 -7.536 -3.561 1.00 0.00 H new ATOM 863 N GLN A 58 4.083 -4.771 0.012 1.00 0.00 N ATOM 864 CA GLN A 58 4.514 -4.221 1.325 1.00 0.00 C ATOM 865 C GLN A 58 5.818 -3.437 1.190 1.00 0.00 C ATOM 866 O GLN A 58 5.923 -2.317 1.657 1.00 0.00 O ATOM 867 CB GLN A 58 4.741 -5.381 2.335 1.00 0.00 C ATOM 868 CG GLN A 58 4.394 -6.735 1.695 1.00 0.00 C ATOM 869 CD GLN A 58 2.878 -6.842 1.510 1.00 0.00 C ATOM 870 OE1 GLN A 58 2.359 -6.688 0.428 1.00 0.00 O ATOM 871 NE2 GLN A 58 2.138 -7.101 2.537 1.00 0.00 N ATOM 0 H GLN A 58 4.142 -5.785 -0.076 1.00 0.00 H new ATOM 0 HA GLN A 58 3.729 -3.554 1.681 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.780 -5.385 2.665 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.126 -5.224 3.221 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.896 -6.833 0.732 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.752 -7.549 2.325 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.566 -7.233 3.454 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.126 -7.174 2.431 1.00 0.00 H new ATOM 880 N GLY A 59 6.792 -4.039 0.553 1.00 0.00 N ATOM 881 CA GLY A 59 8.102 -3.333 0.382 1.00 0.00 C ATOM 882 C GLY A 59 9.167 -4.267 -0.205 1.00 0.00 C ATOM 883 O GLY A 59 8.972 -5.461 -0.316 1.00 0.00 O ATOM 0 H GLY A 59 6.740 -4.974 0.149 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.970 -2.472 -0.273 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.441 -2.952 1.346 1.00 0.00 H new ATOM 887 N PRO A 60 10.279 -3.681 -0.598 1.00 0.00 N ATOM 888 CA PRO A 60 11.369 -4.453 -1.170 1.00 0.00 C ATOM 889 C PRO A 60 11.910 -5.433 -0.121 1.00 0.00 C ATOM 890 O PRO A 60 12.635 -5.046 0.805 1.00 0.00 O ATOM 891 CB PRO A 60 12.440 -3.407 -1.554 1.00 0.00 C ATOM 892 CG PRO A 60 11.863 -2.003 -1.195 1.00 0.00 C ATOM 893 CD PRO A 60 10.498 -2.231 -0.522 1.00 0.00 C ATOM 0 HA PRO A 60 11.062 -5.045 -2.032 1.00 0.00 H new ATOM 0 HB2 PRO A 60 13.369 -3.591 -1.014 1.00 0.00 H new ATOM 0 HB3 PRO A 60 12.673 -3.467 -2.617 1.00 0.00 H new ATOM 0 HG2 PRO A 60 12.538 -1.469 -0.526 1.00 0.00 H new ATOM 0 HG3 PRO A 60 11.753 -1.392 -2.091 1.00 0.00 H new ATOM 0 HD2 PRO A 60 10.504 -1.886 0.512 1.00 0.00 H new ATOM 0 HD3 PRO A 60 9.707 -1.684 -1.036 1.00 0.00 H new ATOM 901 N TRP A 61 11.521 -6.673 -0.289 1.00 0.00 N ATOM 902 CA TRP A 61 11.960 -7.765 0.657 1.00 0.00 C ATOM 903 C TRP A 61 13.470 -8.002 0.604 1.00 0.00 C ATOM 904 O TRP A 61 14.159 -7.488 -0.263 1.00 0.00 O ATOM 905 CB TRP A 61 11.335 -9.084 0.190 1.00 0.00 C ATOM 906 CG TRP A 61 12.121 -9.469 -1.042 1.00 0.00 C ATOM 907 CD1 TRP A 61 12.143 -8.717 -2.111 1.00 0.00 C ATOM 908 CD2 TRP A 61 12.991 -10.463 -1.143 1.00 0.00 C ATOM 909 NE1 TRP A 61 13.085 -9.274 -2.877 1.00 0.00 N ATOM 910 CE2 TRP A 61 13.649 -10.373 -2.353 1.00 0.00 C ATOM 911 CE3 TRP A 61 13.298 -11.512 -0.293 1.00 0.00 C ATOM 912 CZ2 TRP A 61 14.578 -11.285 -2.732 1.00 0.00 C ATOM 913 CZ3 TRP A 61 14.248 -12.453 -0.676 1.00 0.00 C ATOM 914 CH2 TRP A 61 14.887 -12.333 -1.902 1.00 0.00 C ATOM 0 H TRP A 61 10.913 -6.985 -1.046 1.00 0.00 H new ATOM 0 HA TRP A 61 11.660 -7.461 1.660 1.00 0.00 H new ATOM 0 HB2 TRP A 61 11.408 -9.851 0.961 1.00 0.00 H new ATOM 0 HB3 TRP A 61 10.276 -8.961 -0.039 1.00 0.00 H new ATOM 0 HD1 TRP A 61 11.540 -7.847 -2.325 1.00 0.00 H new ATOM 0 HE1 TRP A 61 13.353 -8.895 -3.785 1.00 0.00 H new ATOM 0 HE3 TRP A 61 12.802 -11.599 0.663 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 15.074 -11.187 -3.686 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 14.488 -13.276 -0.020 1.00 0.00 H new ATOM 0 HH2 TRP A 61 15.625 -13.062 -2.202 1.00 0.00 H new ATOM 925 N CYS A 62 13.920 -8.820 1.531 1.00 0.00 N ATOM 926 CA CYS A 62 15.375 -9.184 1.646 1.00 0.00 C ATOM 927 C CYS A 62 15.563 -10.128 2.821 1.00 0.00 C ATOM 928 O CYS A 62 14.968 -9.938 3.856 1.00 0.00 O ATOM 929 CB CYS A 62 16.225 -7.936 1.894 1.00 0.00 C ATOM 930 SG CYS A 62 18.041 -8.151 1.862 1.00 0.00 S ATOM 0 H CYS A 62 13.324 -9.262 2.231 1.00 0.00 H new ATOM 0 HA CYS A 62 15.687 -9.657 0.715 1.00 0.00 H new ATOM 0 HB2 CYS A 62 15.959 -7.190 1.145 1.00 0.00 H new ATOM 0 HB3 CYS A 62 15.949 -7.525 2.865 1.00 0.00 H new ATOM 935 N TYR A 63 16.373 -11.127 2.651 1.00 0.00 N ATOM 936 CA TYR A 63 16.581 -12.070 3.778 1.00 0.00 C ATOM 937 C TYR A 63 17.904 -11.814 4.491 1.00 0.00 C ATOM 938 O TYR A 63 18.702 -10.993 4.074 1.00 0.00 O ATOM 939 CB TYR A 63 16.585 -13.502 3.228 1.00 0.00 C ATOM 940 CG TYR A 63 15.147 -14.038 3.157 1.00 0.00 C ATOM 941 CD1 TYR A 63 14.210 -13.422 2.364 1.00 0.00 C ATOM 942 CD2 TYR A 63 14.774 -15.154 3.884 1.00 0.00 C ATOM 943 CE1 TYR A 63 12.920 -13.908 2.293 1.00 0.00 C ATOM 944 CE2 TYR A 63 13.485 -15.638 3.813 1.00 0.00 C ATOM 945 CZ TYR A 63 12.551 -15.018 3.017 1.00 0.00 C ATOM 946 OH TYR A 63 11.263 -15.496 2.950 1.00 0.00 O ATOM 0 H TYR A 63 16.893 -11.331 1.797 1.00 0.00 H new ATOM 0 HA TYR A 63 15.774 -11.926 4.497 1.00 0.00 H new ATOM 0 HB2 TYR A 63 17.038 -13.519 2.237 1.00 0.00 H new ATOM 0 HB3 TYR A 63 17.191 -14.145 3.867 1.00 0.00 H new ATOM 0 HD1 TYR A 63 14.485 -12.549 1.791 1.00 0.00 H new ATOM 0 HD2 TYR A 63 15.499 -15.650 4.513 1.00 0.00 H new ATOM 0 HE1 TYR A 63 12.195 -13.413 1.664 1.00 0.00 H new ATOM 0 HE2 TYR A 63 13.207 -16.510 4.386 1.00 0.00 H new ATOM 0 HH TYR A 63 11.177 -16.286 3.523 1.00 0.00 H new ATOM 956 N THR A 64 18.099 -12.528 5.562 1.00 0.00 N ATOM 957 CA THR A 64 19.349 -12.374 6.346 1.00 0.00 C ATOM 958 C THR A 64 19.971 -13.740 6.612 1.00 0.00 C ATOM 959 O THR A 64 19.372 -14.756 6.326 1.00 0.00 O ATOM 960 CB THR A 64 19.025 -11.687 7.682 1.00 0.00 C ATOM 961 OG1 THR A 64 18.811 -12.735 8.609 1.00 0.00 O ATOM 962 CG2 THR A 64 17.679 -10.947 7.624 1.00 0.00 C ATOM 0 H THR A 64 17.441 -13.216 5.929 1.00 0.00 H new ATOM 0 HA THR A 64 20.057 -11.768 5.781 1.00 0.00 H new ATOM 0 HB THR A 64 19.828 -10.993 7.930 1.00 0.00 H new ATOM 0 HG1 THR A 64 17.852 -12.815 8.797 1.00 0.00 H new ATOM 0 HG21 THR A 64 17.483 -10.473 8.586 1.00 0.00 H new ATOM 0 HG22 THR A 64 17.716 -10.185 6.845 1.00 0.00 H new ATOM 0 HG23 THR A 64 16.883 -11.657 7.400 1.00 0.00 H new ATOM 970 N THR A 65 21.149 -13.742 7.171 1.00 0.00 N ATOM 971 CA THR A 65 21.833 -15.044 7.464 1.00 0.00 C ATOM 972 C THR A 65 21.314 -15.728 8.719 1.00 0.00 C ATOM 973 O THR A 65 21.975 -16.603 9.245 1.00 0.00 O ATOM 974 CB THR A 65 23.315 -14.748 7.688 1.00 0.00 C ATOM 975 OG1 THR A 65 23.352 -13.893 8.806 1.00 0.00 O ATOM 976 CG2 THR A 65 23.879 -13.903 6.556 1.00 0.00 C ATOM 0 H THR A 65 21.670 -12.907 7.438 1.00 0.00 H new ATOM 0 HA THR A 65 21.646 -15.709 6.621 1.00 0.00 H new ATOM 0 HB THR A 65 23.868 -15.683 7.781 1.00 0.00 H new ATOM 0 HG1 THR A 65 24.282 -13.661 9.010 1.00 0.00 H new ATOM 0 HG21 THR A 65 24.935 -13.707 6.740 1.00 0.00 H new ATOM 0 HG22 THR A 65 23.768 -14.438 5.613 1.00 0.00 H new ATOM 0 HG23 THR A 65 23.338 -12.958 6.503 1.00 0.00 H new ATOM 984 N ASP A 66 20.154 -15.354 9.179 1.00 0.00 N ATOM 985 CA ASP A 66 19.640 -16.015 10.406 1.00 0.00 C ATOM 986 C ASP A 66 18.172 -16.465 10.291 1.00 0.00 C ATOM 987 O ASP A 66 17.282 -15.662 10.091 1.00 0.00 O ATOM 988 CB ASP A 66 19.743 -14.999 11.543 1.00 0.00 C ATOM 989 CG ASP A 66 20.983 -15.295 12.376 1.00 0.00 C ATOM 990 OD1 ASP A 66 20.986 -16.352 12.977 1.00 0.00 O ATOM 991 OD2 ASP A 66 21.854 -14.448 12.362 1.00 0.00 O ATOM 0 H ASP A 66 19.554 -14.638 8.770 1.00 0.00 H new ATOM 0 HA ASP A 66 20.233 -16.913 10.578 1.00 0.00 H new ATOM 0 HB2 ASP A 66 19.796 -13.988 11.138 1.00 0.00 H new ATOM 0 HB3 ASP A 66 18.852 -15.045 12.169 1.00 0.00 H new ATOM 996 N PRO A 67 17.959 -17.769 10.431 1.00 0.00 N ATOM 997 CA PRO A 67 16.617 -18.358 10.352 1.00 0.00 C ATOM 998 C PRO A 67 15.579 -17.544 11.137 1.00 0.00 C ATOM 999 O PRO A 67 14.457 -17.386 10.687 1.00 0.00 O ATOM 1000 CB PRO A 67 16.788 -19.770 10.956 1.00 0.00 C ATOM 1001 CG PRO A 67 18.325 -20.039 11.058 1.00 0.00 C ATOM 1002 CD PRO A 67 19.042 -18.734 10.657 1.00 0.00 C ATOM 0 HA PRO A 67 16.243 -18.377 9.328 1.00 0.00 H new ATOM 0 HB2 PRO A 67 16.320 -19.829 11.939 1.00 0.00 H new ATOM 0 HB3 PRO A 67 16.306 -20.519 10.328 1.00 0.00 H new ATOM 0 HG2 PRO A 67 18.598 -20.333 12.072 1.00 0.00 H new ATOM 0 HG3 PRO A 67 18.617 -20.857 10.400 1.00 0.00 H new ATOM 0 HD2 PRO A 67 19.717 -18.395 11.443 1.00 0.00 H new ATOM 0 HD3 PRO A 67 19.643 -18.872 9.758 1.00 0.00 H new ATOM 1010 N GLU A 68 15.959 -17.049 12.295 1.00 0.00 N ATOM 1011 CA GLU A 68 14.985 -16.244 13.097 1.00 0.00 C ATOM 1012 C GLU A 68 14.630 -14.981 12.309 1.00 0.00 C ATOM 1013 O GLU A 68 13.527 -14.826 11.822 1.00 0.00 O ATOM 1014 CB GLU A 68 15.656 -15.845 14.429 1.00 0.00 C ATOM 1015 CG GLU A 68 15.775 -17.084 15.332 1.00 0.00 C ATOM 1016 CD GLU A 68 15.839 -16.646 16.802 1.00 0.00 C ATOM 1017 OE1 GLU A 68 14.850 -16.086 17.243 1.00 0.00 O ATOM 1018 OE2 GLU A 68 16.874 -16.899 17.403 1.00 0.00 O ATOM 0 H GLU A 68 16.883 -17.166 12.711 1.00 0.00 H new ATOM 0 HA GLU A 68 14.082 -16.821 13.296 1.00 0.00 H new ATOM 0 HB2 GLU A 68 16.643 -15.423 14.240 1.00 0.00 H new ATOM 0 HB3 GLU A 68 15.070 -15.073 14.927 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.922 -17.744 15.176 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.669 -17.651 15.072 1.00 0.00 H new ATOM 1025 N LYS A 69 15.588 -14.111 12.189 1.00 0.00 N ATOM 1026 CA LYS A 69 15.366 -12.844 11.440 1.00 0.00 C ATOM 1027 C LYS A 69 15.579 -13.127 9.955 1.00 0.00 C ATOM 1028 O LYS A 69 16.089 -12.313 9.217 1.00 0.00 O ATOM 1029 CB LYS A 69 16.412 -11.834 11.919 1.00 0.00 C ATOM 1030 CG LYS A 69 17.809 -12.432 11.717 1.00 0.00 C ATOM 1031 CD LYS A 69 18.825 -11.620 12.545 1.00 0.00 C ATOM 1032 CE LYS A 69 20.126 -11.441 11.752 1.00 0.00 C ATOM 1033 NZ LYS A 69 19.833 -11.289 10.298 1.00 0.00 N ATOM 0 H LYS A 69 16.523 -14.222 12.580 1.00 0.00 H new ATOM 0 HA LYS A 69 14.361 -12.454 11.602 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.317 -10.901 11.363 1.00 0.00 H new ATOM 0 HB3 LYS A 69 16.252 -11.596 12.971 1.00 0.00 H new ATOM 0 HG2 LYS A 69 17.820 -13.477 12.027 1.00 0.00 H new ATOM 0 HG3 LYS A 69 18.079 -12.410 10.661 1.00 0.00 H new ATOM 0 HD2 LYS A 69 18.406 -10.646 12.796 1.00 0.00 H new ATOM 0 HD3 LYS A 69 19.030 -12.131 13.486 1.00 0.00 H new ATOM 0 HE2 LYS A 69 20.663 -10.564 12.115 1.00 0.00 H new ATOM 0 HE3 LYS A 69 20.777 -12.301 11.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 20.582 -10.723 9.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 19.795 -12.228 9.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 18.918 -10.811 10.176 1.00 0.00 H new ATOM 1047 N ARG A 70 15.168 -14.305 9.571 1.00 0.00 N ATOM 1048 CA ARG A 70 15.295 -14.761 8.157 1.00 0.00 C ATOM 1049 C ARG A 70 15.093 -13.668 7.119 1.00 0.00 C ATOM 1050 O ARG A 70 15.708 -13.714 6.075 1.00 0.00 O ATOM 1051 CB ARG A 70 14.229 -15.830 7.917 1.00 0.00 C ATOM 1052 CG ARG A 70 12.858 -15.149 7.794 1.00 0.00 C ATOM 1053 CD ARG A 70 11.753 -16.201 7.930 1.00 0.00 C ATOM 1054 NE ARG A 70 11.664 -16.976 6.650 1.00 0.00 N ATOM 1055 CZ ARG A 70 11.862 -18.256 6.655 1.00 0.00 C ATOM 1056 NH1 ARG A 70 12.798 -18.743 7.389 1.00 0.00 N ATOM 1057 NH2 ARG A 70 11.114 -18.996 5.925 1.00 0.00 N ATOM 0 H ARG A 70 14.738 -14.988 10.195 1.00 0.00 H new ATOM 0 HA ARG A 70 16.316 -15.124 8.036 1.00 0.00 H new ATOM 0 HB2 ARG A 70 14.454 -16.390 7.009 1.00 0.00 H new ATOM 0 HB3 ARG A 70 14.222 -16.546 8.739 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.747 -14.388 8.566 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.776 -14.642 6.832 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.970 -16.871 8.762 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.799 -15.721 8.147 1.00 0.00 H new ATOM 0 HE ARG A 70 11.448 -16.496 5.776 1.00 0.00 H new ATOM 0 HH11 ARG A 70 13.374 -18.123 7.958 1.00 0.00 H new ATOM 0 HH12 ARG A 70 12.964 -19.749 7.402 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.380 -18.575 5.355 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.252 -20.007 5.913 1.00 0.00 H new ATOM 1071 N TYR A 71 14.265 -12.700 7.400 1.00 0.00 N ATOM 1072 CA TYR A 71 14.071 -11.641 6.383 1.00 0.00 C ATOM 1073 C TYR A 71 13.130 -10.516 6.809 1.00 0.00 C ATOM 1074 O TYR A 71 12.642 -10.448 7.919 1.00 0.00 O ATOM 1075 CB TYR A 71 13.466 -12.302 5.106 1.00 0.00 C ATOM 1076 CG TYR A 71 11.931 -12.331 5.198 1.00 0.00 C ATOM 1077 CD1 TYR A 71 11.299 -12.634 6.386 1.00 0.00 C ATOM 1078 CD2 TYR A 71 11.161 -12.057 4.085 1.00 0.00 C ATOM 1079 CE1 TYR A 71 9.925 -12.664 6.460 1.00 0.00 C ATOM 1080 CE2 TYR A 71 9.783 -12.088 4.163 1.00 0.00 C ATOM 1081 CZ TYR A 71 9.159 -12.392 5.352 1.00 0.00 C ATOM 1082 OH TYR A 71 7.790 -12.414 5.436 1.00 0.00 O ATOM 0 H TYR A 71 13.731 -12.600 8.263 1.00 0.00 H new ATOM 0 HA TYR A 71 15.050 -11.190 6.218 1.00 0.00 H new ATOM 0 HB2 TYR A 71 13.774 -11.747 4.220 1.00 0.00 H new ATOM 0 HB3 TYR A 71 13.850 -13.316 4.996 1.00 0.00 H new ATOM 0 HD1 TYR A 71 11.887 -12.850 7.266 1.00 0.00 H new ATOM 0 HD2 TYR A 71 11.640 -11.817 3.147 1.00 0.00 H new ATOM 0 HE1 TYR A 71 9.445 -12.903 7.397 1.00 0.00 H new ATOM 0 HE2 TYR A 71 9.191 -11.872 3.286 1.00 0.00 H new ATOM 0 HH TYR A 71 7.405 -12.198 4.561 1.00 0.00 H new ATOM 1092 N ASP A 72 12.924 -9.684 5.844 1.00 0.00 N ATOM 1093 CA ASP A 72 12.056 -8.483 5.941 1.00 0.00 C ATOM 1094 C ASP A 72 12.371 -7.644 4.699 1.00 0.00 C ATOM 1095 O ASP A 72 13.039 -8.126 3.805 1.00 0.00 O ATOM 1096 CB ASP A 72 12.376 -7.667 7.231 1.00 0.00 C ATOM 1097 CG ASP A 72 11.101 -6.953 7.733 1.00 0.00 C ATOM 1098 OD1 ASP A 72 10.245 -6.711 6.895 1.00 0.00 O ATOM 1099 OD2 ASP A 72 11.067 -6.676 8.924 1.00 0.00 O ATOM 0 H ASP A 72 13.352 -9.794 4.925 1.00 0.00 H new ATOM 0 HA ASP A 72 11.003 -8.760 5.993 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.760 -8.331 8.006 1.00 0.00 H new ATOM 0 HB3 ASP A 72 13.156 -6.934 7.024 1.00 0.00 H new ATOM 1104 N TYR A 73 11.912 -6.442 4.632 1.00 0.00 N ATOM 1105 CA TYR A 73 12.231 -5.632 3.412 1.00 0.00 C ATOM 1106 C TYR A 73 13.553 -4.946 3.567 1.00 0.00 C ATOM 1107 O TYR A 73 14.535 -5.573 3.882 1.00 0.00 O ATOM 1108 CB TYR A 73 11.099 -4.610 3.205 1.00 0.00 C ATOM 1109 CG TYR A 73 9.804 -5.373 3.296 1.00 0.00 C ATOM 1110 CD1 TYR A 73 9.424 -6.207 2.278 1.00 0.00 C ATOM 1111 CD2 TYR A 73 9.044 -5.318 4.437 1.00 0.00 C ATOM 1112 CE1 TYR A 73 8.307 -6.984 2.397 1.00 0.00 C ATOM 1113 CE2 TYR A 73 7.925 -6.095 4.554 1.00 0.00 C ATOM 1114 CZ TYR A 73 7.553 -6.933 3.535 1.00 0.00 C ATOM 1115 OH TYR A 73 6.429 -7.719 3.663 1.00 0.00 O ATOM 0 H TYR A 73 11.343 -5.980 5.341 1.00 0.00 H new ATOM 0 HA TYR A 73 12.304 -6.281 2.539 1.00 0.00 H new ATOM 0 HB2 TYR A 73 11.141 -3.827 3.963 1.00 0.00 H new ATOM 0 HB3 TYR A 73 11.192 -4.120 2.236 1.00 0.00 H new ATOM 0 HD1 TYR A 73 10.013 -6.251 1.374 1.00 0.00 H new ATOM 0 HD2 TYR A 73 9.330 -4.660 5.244 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.019 -7.640 1.589 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.331 -6.048 5.455 1.00 0.00 H new ATOM 0 HH TYR A 73 6.014 -7.557 4.536 1.00 0.00 H new ATOM 1125 N CYS A 74 13.582 -3.707 3.268 1.00 0.00 N ATOM 1126 CA CYS A 74 14.873 -2.957 3.410 1.00 0.00 C ATOM 1127 C CYS A 74 14.698 -1.627 4.090 1.00 0.00 C ATOM 1128 O CYS A 74 13.634 -1.047 4.076 1.00 0.00 O ATOM 1129 CB CYS A 74 15.433 -2.655 2.041 1.00 0.00 C ATOM 1130 SG CYS A 74 17.104 -3.242 1.682 1.00 0.00 S ATOM 0 H CYS A 74 12.788 -3.162 2.932 1.00 0.00 H new ATOM 0 HA CYS A 74 15.530 -3.591 4.006 1.00 0.00 H new ATOM 0 HB2 CYS A 74 14.759 -3.082 1.299 1.00 0.00 H new ATOM 0 HB3 CYS A 74 15.418 -1.574 1.901 1.00 0.00 H new ATOM 1135 N ASP A 75 15.772 -1.170 4.664 1.00 0.00 N ATOM 1136 CA ASP A 75 15.752 0.118 5.359 1.00 0.00 C ATOM 1137 C ASP A 75 15.916 1.217 4.284 1.00 0.00 C ATOM 1138 O ASP A 75 16.719 2.128 4.379 1.00 0.00 O ATOM 1139 CB ASP A 75 16.923 0.090 6.382 1.00 0.00 C ATOM 1140 CG ASP A 75 17.333 1.495 6.797 1.00 0.00 C ATOM 1141 OD1 ASP A 75 16.445 2.217 7.203 1.00 0.00 O ATOM 1142 OD2 ASP A 75 18.520 1.762 6.691 1.00 0.00 O ATOM 0 H ASP A 75 16.671 -1.651 4.675 1.00 0.00 H new ATOM 0 HA ASP A 75 14.828 0.316 5.902 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.625 -0.478 7.263 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.778 -0.426 5.944 1.00 0.00 H new ATOM 1147 N ILE A 76 15.117 1.058 3.251 1.00 0.00 N ATOM 1148 CA ILE A 76 15.120 2.004 2.109 1.00 0.00 C ATOM 1149 C ILE A 76 14.200 3.190 2.402 1.00 0.00 C ATOM 1150 O ILE A 76 13.465 3.189 3.371 1.00 0.00 O ATOM 1151 CB ILE A 76 14.588 1.215 0.884 1.00 0.00 C ATOM 1152 CG1 ILE A 76 15.734 0.530 0.143 1.00 0.00 C ATOM 1153 CG2 ILE A 76 13.892 2.157 -0.114 1.00 0.00 C ATOM 1154 CD1 ILE A 76 15.175 -0.695 -0.559 1.00 0.00 C ATOM 0 H ILE A 76 14.451 0.291 3.160 1.00 0.00 H new ATOM 0 HA ILE A 76 16.121 2.396 1.927 1.00 0.00 H new ATOM 0 HB ILE A 76 13.883 0.475 1.263 1.00 0.00 H new ATOM 0 HG12 ILE A 76 16.182 1.212 -0.580 1.00 0.00 H new ATOM 0 HG13 ILE A 76 16.521 0.243 0.840 1.00 0.00 H new ATOM 0 HG21 ILE A 76 13.527 1.581 -0.964 1.00 0.00 H new ATOM 0 HG22 ILE A 76 13.053 2.651 0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 76 14.602 2.907 -0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 76 15.975 -1.203 -1.097 1.00 0.00 H new ATOM 0 HD12 ILE A 76 14.746 -1.373 0.179 1.00 0.00 H new ATOM 0 HD13 ILE A 76 14.402 -0.389 -1.264 1.00 0.00 H new ATOM 1166 N LEU A 77 14.269 4.181 1.566 1.00 0.00 N ATOM 1167 CA LEU A 77 13.414 5.375 1.766 1.00 0.00 C ATOM 1168 C LEU A 77 11.939 4.972 1.719 1.00 0.00 C ATOM 1169 O LEU A 77 11.608 3.888 1.267 1.00 0.00 O ATOM 1170 CB LEU A 77 13.711 6.375 0.626 1.00 0.00 C ATOM 1171 CG LEU A 77 15.017 7.162 0.914 1.00 0.00 C ATOM 1172 CD1 LEU A 77 14.670 8.488 1.589 1.00 0.00 C ATOM 1173 CD2 LEU A 77 15.944 6.364 1.843 1.00 0.00 C ATOM 0 H LEU A 77 14.882 4.216 0.751 1.00 0.00 H new ATOM 0 HA LEU A 77 13.623 5.828 2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 77 13.804 5.840 -0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 77 12.878 7.070 0.519 1.00 0.00 H new ATOM 0 HG LEU A 77 15.528 7.337 -0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 77 15.586 9.043 1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 77 14.029 9.074 0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 77 14.148 8.294 2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 77 16.852 6.937 2.030 1.00 0.00 H new ATOM 0 HD22 LEU A 77 15.435 6.172 2.788 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.203 5.416 1.372 1.00 0.00 H new ATOM 1185 N GLU A 78 11.082 5.848 2.187 1.00 0.00 N ATOM 1186 CA GLU A 78 9.616 5.542 2.184 1.00 0.00 C ATOM 1187 C GLU A 78 9.280 4.542 3.295 1.00 0.00 C ATOM 1188 O GLU A 78 8.340 4.732 4.039 1.00 0.00 O ATOM 1189 CB GLU A 78 9.223 4.961 0.799 1.00 0.00 C ATOM 1190 CG GLU A 78 7.695 4.776 0.722 1.00 0.00 C ATOM 1191 CD GLU A 78 7.071 5.889 -0.126 1.00 0.00 C ATOM 1192 OE1 GLU A 78 7.648 6.181 -1.159 1.00 0.00 O ATOM 1193 OE2 GLU A 78 6.038 6.368 0.301 1.00 0.00 O ATOM 0 H GLU A 78 11.333 6.759 2.570 1.00 0.00 H new ATOM 0 HA GLU A 78 9.053 6.457 2.367 1.00 0.00 H new ATOM 0 HB2 GLU A 78 9.557 5.630 0.006 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.722 4.005 0.641 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.460 3.804 0.289 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.268 4.790 1.725 1.00 0.00 H new ATOM 1200 N CYS A 79 10.067 3.507 3.384 1.00 0.00 N ATOM 1201 CA CYS A 79 9.837 2.465 4.432 1.00 0.00 C ATOM 1202 C CYS A 79 10.649 1.210 4.146 1.00 0.00 C ATOM 1203 O CYS A 79 11.235 0.725 5.097 1.00 0.00 O ATOM 1204 CB CYS A 79 8.359 2.064 4.462 1.00 0.00 C ATOM 1205 SG CYS A 79 7.344 2.413 3.007 1.00 0.00 S ATOM 1206 OXT CYS A 79 10.626 0.797 2.993 1.00 0.00 O ATOM 0 H CYS A 79 10.866 3.334 2.774 1.00 0.00 H new ATOM 0 HA CYS A 79 10.142 2.893 5.387 1.00 0.00 H new ATOM 0 HB2 CYS A 79 8.310 0.992 4.652 1.00 0.00 H new ATOM 0 HB3 CYS A 79 7.898 2.560 5.316 1.00 0.00 H new TER 1211 CYS A 79