USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=26 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 -85:sc= -0.886! USER MOD Set 1.2: A 69 LYS NZ :NH3+ 161:sc= -9.88! (180deg=-9.29!) USER MOD Set 2.1: A 58 GLN : amide:sc= -1.24! K(o=-0.018!,f=-1.7) USER MOD Set 2.2: A 73 TYR OH : rot -44:sc= 1.22 USER MOD Set 3.1: A 1 CYS N :NH3+ 143:sc= -3.14! (180deg=-4.57!) USER MOD Set 3.2: A 52 ASN : amide:sc= -0.912 K(o=-4.1,f=-4.9) USER MOD Set 4.1: A 12 THR OG1 : rot -158:sc= -0.166! USER MOD Set 4.2: A 49 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 5 ASN : amide:sc= -1.18! C(o=0.96!,f=-13!) USER MOD Set 5.2: A 9 TYR OH : rot 62:sc= 2.14 USER MOD Single : A 2 LYS NZ :NH3+ -130:sc= 0.591 (180deg=-0.907!) USER MOD Single : A 3 THR OG1 : rot -102:sc= 1.33 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -1.12 K(o=-1.1,f=-2.6) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -105:sc= -0.117! USER MOD Single : A 15 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.157) USER MOD Single : A 16 THR OG1 : rot -110:sc= -2.03 USER MOD Single : A 17 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.2) USER MOD Single : A 18 ASN : amide:sc= -0.0211 K(o=-0.021,f=-1) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 23 GLN : amide:sc= -28.4! C(o=-28!,f=-26!) USER MOD Single : A 24 LYS NZ :NH3+ 167:sc= -0.373 (180deg=-0.766) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -123:sc= 0.254 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0048 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -6.75! C(o=-6.8!,f=-6.8!) USER MOD Single : A 36 SER OG : rot 92:sc= 1 USER MOD Single : A 39 THR OG1 : rot -63:sc= 1.15 USER MOD Single : A 40 HIS : no HD1:sc= -9.24! C(o=-9.2!,f=-12!) USER MOD Single : A 42 SER OG : rot 6:sc= 1.87 USER MOD Single : A 48 ASN : amide:sc= -12.7! C(o=-13!,f=-5.4!) USER MOD Single : A 55 ASN : amide:sc= 0.0259 K(o=0.026,f=-3.7!) USER MOD Single : A 63 TYR OH : rot 165:sc= 0.0328 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.149 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 10.053 -0.243 -1.383 1.00 0.00 N ATOM 2 CA CYS A 1 9.113 0.720 -2.007 1.00 0.00 C ATOM 3 C CYS A 1 9.479 0.894 -3.475 1.00 0.00 C ATOM 4 O CYS A 1 9.821 -0.065 -4.133 1.00 0.00 O ATOM 5 CB CYS A 1 9.166 2.089 -1.271 1.00 0.00 C ATOM 6 SG CYS A 1 10.250 3.384 -1.930 1.00 0.00 S ATOM 0 H1 CYS A 1 10.263 0.058 -0.410 1.00 0.00 H new ATOM 0 H2 CYS A 1 9.621 -1.189 -1.368 1.00 0.00 H new ATOM 0 H3 CYS A 1 10.935 -0.274 -1.933 1.00 0.00 H new ATOM 0 HA CYS A 1 8.097 0.334 -1.929 1.00 0.00 H new ATOM 0 HB2 CYS A 1 8.152 2.489 -1.241 1.00 0.00 H new ATOM 0 HB3 CYS A 1 9.465 1.900 -0.240 1.00 0.00 H new ATOM 13 N LYS A 2 9.416 2.096 -3.961 1.00 0.00 N ATOM 14 CA LYS A 2 9.764 2.316 -5.397 1.00 0.00 C ATOM 15 C LYS A 2 10.810 3.400 -5.592 1.00 0.00 C ATOM 16 O LYS A 2 11.011 3.872 -6.697 1.00 0.00 O ATOM 17 CB LYS A 2 8.486 2.698 -6.173 1.00 0.00 C ATOM 18 CG LYS A 2 7.447 3.309 -5.210 1.00 0.00 C ATOM 19 CD LYS A 2 6.214 3.767 -6.017 1.00 0.00 C ATOM 20 CE LYS A 2 4.927 3.319 -5.304 1.00 0.00 C ATOM 21 NZ LYS A 2 4.369 4.439 -4.488 1.00 0.00 N ATOM 0 H LYS A 2 9.143 2.929 -3.440 1.00 0.00 H new ATOM 0 HA LYS A 2 10.190 1.386 -5.774 1.00 0.00 H new ATOM 0 HB2 LYS A 2 8.728 3.412 -6.960 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.069 1.816 -6.660 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.153 2.575 -4.460 1.00 0.00 H new ATOM 0 HG3 LYS A 2 7.881 4.154 -4.676 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.222 4.852 -6.125 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.249 3.346 -7.022 1.00 0.00 H new ATOM 0 HE2 LYS A 2 4.191 2.994 -6.039 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.138 2.463 -4.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.170 4.101 -3.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 5.059 5.216 -4.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 3.489 4.781 -4.924 1.00 0.00 H new ATOM 35 N THR A 3 11.458 3.777 -4.537 1.00 0.00 N ATOM 36 CA THR A 3 12.496 4.831 -4.666 1.00 0.00 C ATOM 37 C THR A 3 13.674 4.248 -5.420 1.00 0.00 C ATOM 38 O THR A 3 14.683 3.935 -4.857 1.00 0.00 O ATOM 39 CB THR A 3 12.959 5.265 -3.271 1.00 0.00 C ATOM 40 OG1 THR A 3 13.002 4.079 -2.510 1.00 0.00 O ATOM 41 CG2 THR A 3 11.899 6.133 -2.580 1.00 0.00 C ATOM 0 H THR A 3 11.319 3.407 -3.597 1.00 0.00 H new ATOM 0 HA THR A 3 12.092 5.693 -5.197 1.00 0.00 H new ATOM 0 HB THR A 3 13.899 5.811 -3.349 1.00 0.00 H new ATOM 0 HG1 THR A 3 12.207 4.028 -1.939 1.00 0.00 H new ATOM 0 HG21 THR A 3 12.256 6.426 -1.592 1.00 0.00 H new ATOM 0 HG22 THR A 3 11.713 7.025 -3.178 1.00 0.00 H new ATOM 0 HG23 THR A 3 10.974 5.566 -2.478 1.00 0.00 H new ATOM 49 N GLY A 4 13.494 4.099 -6.686 1.00 0.00 N ATOM 50 CA GLY A 4 14.560 3.539 -7.539 1.00 0.00 C ATOM 51 C GLY A 4 13.942 3.134 -8.854 1.00 0.00 C ATOM 52 O GLY A 4 14.541 3.264 -9.897 1.00 0.00 O ATOM 0 H GLY A 4 12.636 4.346 -7.179 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.347 4.276 -7.699 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.023 2.679 -7.055 1.00 0.00 H new ATOM 56 N ASN A 5 12.733 2.650 -8.768 1.00 0.00 N ATOM 57 CA ASN A 5 12.029 2.224 -9.998 1.00 0.00 C ATOM 58 C ASN A 5 11.913 3.441 -10.898 1.00 0.00 C ATOM 59 O ASN A 5 11.763 3.338 -12.094 1.00 0.00 O ATOM 60 CB ASN A 5 10.603 1.717 -9.632 1.00 0.00 C ATOM 61 CG ASN A 5 10.654 0.801 -8.400 1.00 0.00 C ATOM 62 OD1 ASN A 5 11.386 1.037 -7.467 1.00 0.00 O ATOM 63 ND2 ASN A 5 9.880 -0.250 -8.352 1.00 0.00 N ATOM 0 H ASN A 5 12.209 2.534 -7.901 1.00 0.00 H new ATOM 0 HA ASN A 5 12.572 1.421 -10.496 1.00 0.00 H new ATOM 0 HB2 ASN A 5 9.949 2.566 -9.434 1.00 0.00 H new ATOM 0 HB3 ASN A 5 10.176 1.176 -10.476 1.00 0.00 H new ATOM 0 HD21 ASN A 5 9.898 -0.860 -7.534 1.00 0.00 H new ATOM 0 HD22 ASN A 5 9.258 -0.461 -9.132 1.00 0.00 H new ATOM 70 N GLY A 6 11.990 4.581 -10.265 1.00 0.00 N ATOM 71 CA GLY A 6 11.895 5.873 -11.005 1.00 0.00 C ATOM 72 C GLY A 6 12.445 7.020 -10.142 1.00 0.00 C ATOM 73 O GLY A 6 11.949 8.126 -10.198 1.00 0.00 O ATOM 0 H GLY A 6 12.116 4.673 -9.257 1.00 0.00 H new ATOM 0 HA2 GLY A 6 12.456 5.809 -11.938 1.00 0.00 H new ATOM 0 HA3 GLY A 6 10.857 6.073 -11.270 1.00 0.00 H new ATOM 77 N LYS A 7 13.465 6.730 -9.353 1.00 0.00 N ATOM 78 CA LYS A 7 14.043 7.800 -8.491 1.00 0.00 C ATOM 79 C LYS A 7 15.438 7.423 -7.930 1.00 0.00 C ATOM 80 O LYS A 7 16.443 7.759 -8.523 1.00 0.00 O ATOM 81 CB LYS A 7 13.062 8.074 -7.322 1.00 0.00 C ATOM 82 CG LYS A 7 13.106 9.569 -6.967 1.00 0.00 C ATOM 83 CD LYS A 7 12.174 9.834 -5.775 1.00 0.00 C ATOM 84 CE LYS A 7 12.135 11.340 -5.482 1.00 0.00 C ATOM 85 NZ LYS A 7 11.087 11.638 -4.458 1.00 0.00 N ATOM 0 H LYS A 7 13.908 5.814 -9.276 1.00 0.00 H new ATOM 0 HA LYS A 7 14.180 8.692 -9.102 1.00 0.00 H new ATOM 0 HB2 LYS A 7 12.050 7.785 -7.605 1.00 0.00 H new ATOM 0 HB3 LYS A 7 13.334 7.473 -6.454 1.00 0.00 H new ATOM 0 HG2 LYS A 7 14.125 9.866 -6.720 1.00 0.00 H new ATOM 0 HG3 LYS A 7 12.798 10.168 -7.824 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.171 9.469 -5.996 1.00 0.00 H new ATOM 0 HD3 LYS A 7 12.525 9.291 -4.897 1.00 0.00 H new ATOM 0 HE2 LYS A 7 13.109 11.674 -5.124 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.926 11.891 -6.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 11.069 12.660 -4.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.158 11.336 -4.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.304 11.125 -3.580 1.00 0.00 H new ATOM 99 N ASN A 8 15.472 6.726 -6.808 1.00 0.00 N ATOM 100 CA ASN A 8 16.805 6.331 -6.210 1.00 0.00 C ATOM 101 C ASN A 8 16.609 5.574 -4.890 1.00 0.00 C ATOM 102 O ASN A 8 15.951 6.061 -3.995 1.00 0.00 O ATOM 103 CB ASN A 8 17.614 7.618 -5.928 1.00 0.00 C ATOM 104 CG ASN A 8 16.691 8.693 -5.350 1.00 0.00 C ATOM 105 OD1 ASN A 8 16.320 9.629 -6.016 1.00 0.00 O ATOM 106 ND2 ASN A 8 16.292 8.593 -4.121 1.00 0.00 N ATOM 0 H ASN A 8 14.651 6.417 -6.287 1.00 0.00 H new ATOM 0 HA ASN A 8 17.330 5.682 -6.911 1.00 0.00 H new ATOM 0 HB2 ASN A 8 18.422 7.405 -5.228 1.00 0.00 H new ATOM 0 HB3 ASN A 8 18.075 7.978 -6.848 1.00 0.00 H new ATOM 0 HD21 ASN A 8 15.672 9.300 -3.727 1.00 0.00 H new ATOM 0 HD22 ASN A 8 16.598 7.807 -3.548 1.00 0.00 H new ATOM 113 N TYR A 9 17.204 4.405 -4.787 1.00 0.00 N ATOM 114 CA TYR A 9 17.058 3.595 -3.523 1.00 0.00 C ATOM 115 C TYR A 9 17.900 4.122 -2.352 1.00 0.00 C ATOM 116 O TYR A 9 18.739 4.987 -2.512 1.00 0.00 O ATOM 117 CB TYR A 9 17.493 2.154 -3.826 1.00 0.00 C ATOM 118 CG TYR A 9 16.424 1.469 -4.689 1.00 0.00 C ATOM 119 CD1 TYR A 9 15.104 1.422 -4.277 1.00 0.00 C ATOM 120 CD2 TYR A 9 16.764 0.898 -5.896 1.00 0.00 C ATOM 121 CE1 TYR A 9 14.148 0.817 -5.062 1.00 0.00 C ATOM 122 CE2 TYR A 9 15.802 0.293 -6.679 1.00 0.00 C ATOM 123 CZ TYR A 9 14.491 0.250 -6.267 1.00 0.00 C ATOM 124 OH TYR A 9 13.535 -0.339 -7.053 1.00 0.00 O ATOM 0 H TYR A 9 17.779 3.978 -5.513 1.00 0.00 H new ATOM 0 HA TYR A 9 16.014 3.661 -3.216 1.00 0.00 H new ATOM 0 HB2 TYR A 9 18.451 2.153 -4.346 1.00 0.00 H new ATOM 0 HB3 TYR A 9 17.634 1.602 -2.897 1.00 0.00 H new ATOM 0 HD1 TYR A 9 14.821 1.863 -3.333 1.00 0.00 H new ATOM 0 HD2 TYR A 9 17.790 0.924 -6.232 1.00 0.00 H new ATOM 0 HE1 TYR A 9 13.121 0.788 -4.729 1.00 0.00 H new ATOM 0 HE2 TYR A 9 16.081 -0.150 -7.623 1.00 0.00 H new ATOM 0 HH TYR A 9 12.869 0.330 -7.314 1.00 0.00 H new ATOM 134 N ARG A 10 17.642 3.560 -1.180 1.00 0.00 N ATOM 135 CA ARG A 10 18.393 3.985 0.038 1.00 0.00 C ATOM 136 C ARG A 10 18.541 2.833 1.061 1.00 0.00 C ATOM 137 O ARG A 10 19.641 2.445 1.386 1.00 0.00 O ATOM 138 CB ARG A 10 17.618 5.145 0.694 1.00 0.00 C ATOM 139 CG ARG A 10 18.452 6.428 0.587 1.00 0.00 C ATOM 140 CD ARG A 10 17.614 7.618 1.057 1.00 0.00 C ATOM 141 NE ARG A 10 18.377 8.874 0.784 1.00 0.00 N ATOM 142 CZ ARG A 10 18.269 9.875 1.588 1.00 0.00 C ATOM 143 NH1 ARG A 10 18.752 9.767 2.772 1.00 0.00 N ATOM 144 NH2 ARG A 10 17.687 10.941 1.174 1.00 0.00 N ATOM 0 H ARG A 10 16.946 2.831 -1.027 1.00 0.00 H new ATOM 0 HA ARG A 10 19.396 4.290 -0.260 1.00 0.00 H new ATOM 0 HB2 ARG A 10 16.655 5.280 0.202 1.00 0.00 H new ATOM 0 HB3 ARG A 10 17.412 4.916 1.740 1.00 0.00 H new ATOM 0 HG2 ARG A 10 19.353 6.341 1.194 1.00 0.00 H new ATOM 0 HG3 ARG A 10 18.775 6.580 -0.443 1.00 0.00 H new ATOM 0 HD2 ARG A 10 16.657 7.636 0.536 1.00 0.00 H new ATOM 0 HD3 ARG A 10 17.396 7.531 2.122 1.00 0.00 H new ATOM 0 HE ARG A 10 18.981 8.938 -0.036 1.00 0.00 H new ATOM 0 HH11 ARG A 10 19.210 8.902 3.059 1.00 0.00 H new ATOM 0 HH12 ARG A 10 18.678 10.546 3.426 1.00 0.00 H new ATOM 0 HH21 ARG A 10 17.320 10.985 0.223 1.00 0.00 H new ATOM 0 HH22 ARG A 10 17.592 11.744 1.795 1.00 0.00 H new ATOM 158 N GLY A 11 17.435 2.308 1.547 1.00 0.00 N ATOM 159 CA GLY A 11 17.525 1.178 2.555 1.00 0.00 C ATOM 160 C GLY A 11 18.077 -0.110 1.919 1.00 0.00 C ATOM 161 O GLY A 11 18.526 -1.004 2.613 1.00 0.00 O ATOM 0 H GLY A 11 16.490 2.601 1.300 1.00 0.00 H new ATOM 0 HA2 GLY A 11 18.167 1.479 3.383 1.00 0.00 H new ATOM 0 HA3 GLY A 11 16.537 0.983 2.972 1.00 0.00 H new ATOM 165 N THR A 12 18.041 -0.174 0.615 1.00 0.00 N ATOM 166 CA THR A 12 18.557 -1.392 -0.086 1.00 0.00 C ATOM 167 C THR A 12 19.997 -1.707 0.281 1.00 0.00 C ATOM 168 O THR A 12 20.491 -2.755 -0.076 1.00 0.00 O ATOM 169 CB THR A 12 18.485 -1.161 -1.589 1.00 0.00 C ATOM 170 OG1 THR A 12 18.869 -2.388 -2.153 1.00 0.00 O ATOM 171 CG2 THR A 12 19.555 -0.167 -2.065 1.00 0.00 C ATOM 0 H THR A 12 17.679 0.559 0.005 1.00 0.00 H new ATOM 0 HA THR A 12 17.939 -2.235 0.223 1.00 0.00 H new ATOM 0 HB THR A 12 17.495 -0.793 -1.857 1.00 0.00 H new ATOM 0 HG1 THR A 12 19.186 -2.242 -3.069 1.00 0.00 H new ATOM 0 HG21 THR A 12 19.470 -0.029 -3.143 1.00 0.00 H new ATOM 0 HG22 THR A 12 19.411 0.790 -1.565 1.00 0.00 H new ATOM 0 HG23 THR A 12 20.545 -0.556 -1.826 1.00 0.00 H new ATOM 179 N MET A 13 20.650 -0.802 0.976 1.00 0.00 N ATOM 180 CA MET A 13 22.066 -1.060 1.362 1.00 0.00 C ATOM 181 C MET A 13 22.268 -2.530 1.658 1.00 0.00 C ATOM 182 O MET A 13 23.165 -3.159 1.127 1.00 0.00 O ATOM 183 CB MET A 13 22.387 -0.243 2.631 1.00 0.00 C ATOM 184 CG MET A 13 22.702 1.208 2.244 1.00 0.00 C ATOM 185 SD MET A 13 23.871 2.108 3.294 1.00 0.00 S ATOM 186 CE MET A 13 24.630 3.110 1.991 1.00 0.00 C ATOM 0 H MET A 13 20.265 0.090 1.286 1.00 0.00 H new ATOM 0 HA MET A 13 22.723 -0.770 0.542 1.00 0.00 H new ATOM 0 HB2 MET A 13 21.541 -0.271 3.317 1.00 0.00 H new ATOM 0 HB3 MET A 13 23.236 -0.683 3.154 1.00 0.00 H new ATOM 0 HG2 MET A 13 23.092 1.209 1.226 1.00 0.00 H new ATOM 0 HG3 MET A 13 21.765 1.764 2.227 1.00 0.00 H new ATOM 0 HE1 MET A 13 25.396 3.753 2.426 1.00 0.00 H new ATOM 0 HE2 MET A 13 25.085 2.456 1.247 1.00 0.00 H new ATOM 0 HE3 MET A 13 23.867 3.726 1.515 1.00 0.00 H new ATOM 196 N SER A 14 21.403 -3.026 2.496 1.00 0.00 N ATOM 197 CA SER A 14 21.441 -4.472 2.913 1.00 0.00 C ATOM 198 C SER A 14 20.870 -4.640 4.329 1.00 0.00 C ATOM 199 O SER A 14 21.448 -5.310 5.164 1.00 0.00 O ATOM 200 CB SER A 14 22.902 -4.985 2.892 1.00 0.00 C ATOM 201 OG SER A 14 23.687 -3.880 3.346 1.00 0.00 O ATOM 0 H SER A 14 20.651 -2.485 2.924 1.00 0.00 H new ATOM 0 HA SER A 14 20.835 -5.048 2.213 1.00 0.00 H new ATOM 0 HB2 SER A 14 23.026 -5.851 3.542 1.00 0.00 H new ATOM 0 HB3 SER A 14 23.198 -5.294 1.889 1.00 0.00 H new ATOM 0 HG SER A 14 24.153 -3.475 2.585 1.00 0.00 H new ATOM 207 N LYS A 15 19.729 -4.034 4.565 1.00 0.00 N ATOM 208 CA LYS A 15 19.097 -4.139 5.917 1.00 0.00 C ATOM 209 C LYS A 15 17.637 -4.604 5.821 1.00 0.00 C ATOM 210 O LYS A 15 16.936 -4.252 4.898 1.00 0.00 O ATOM 211 CB LYS A 15 19.085 -2.738 6.526 1.00 0.00 C ATOM 212 CG LYS A 15 20.470 -2.383 7.047 1.00 0.00 C ATOM 213 CD LYS A 15 20.548 -0.856 7.211 1.00 0.00 C ATOM 214 CE LYS A 15 21.372 -0.516 8.446 1.00 0.00 C ATOM 215 NZ LYS A 15 22.757 -1.042 8.289 1.00 0.00 N ATOM 0 H LYS A 15 19.213 -3.476 3.885 1.00 0.00 H new ATOM 0 HA LYS A 15 19.660 -4.857 6.513 1.00 0.00 H new ATOM 0 HB2 LYS A 15 18.772 -2.010 5.777 1.00 0.00 H new ATOM 0 HB3 LYS A 15 18.360 -2.692 7.338 1.00 0.00 H new ATOM 0 HG2 LYS A 15 20.655 -2.877 8.001 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.237 -2.730 6.354 1.00 0.00 H new ATOM 0 HD2 LYS A 15 20.999 -0.408 6.326 1.00 0.00 H new ATOM 0 HD3 LYS A 15 19.545 -0.438 7.304 1.00 0.00 H new ATOM 0 HE2 LYS A 15 21.398 0.564 8.591 1.00 0.00 H new ATOM 0 HE3 LYS A 15 20.908 -0.946 9.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 23.367 -0.640 9.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 22.747 -2.078 8.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 23.126 -0.776 7.354 1.00 0.00 H new ATOM 229 N THR A 16 17.205 -5.379 6.788 1.00 0.00 N ATOM 230 CA THR A 16 15.798 -5.867 6.759 1.00 0.00 C ATOM 231 C THR A 16 14.857 -5.005 7.637 1.00 0.00 C ATOM 232 O THR A 16 15.169 -4.680 8.773 1.00 0.00 O ATOM 233 CB THR A 16 15.765 -7.322 7.252 1.00 0.00 C ATOM 234 OG1 THR A 16 17.105 -7.788 7.227 1.00 0.00 O ATOM 235 CG2 THR A 16 15.066 -8.212 6.239 1.00 0.00 C ATOM 0 H THR A 16 17.761 -5.689 7.585 1.00 0.00 H new ATOM 0 HA THR A 16 15.441 -5.796 5.732 1.00 0.00 H new ATOM 0 HB THR A 16 15.275 -7.353 8.225 1.00 0.00 H new ATOM 0 HG1 THR A 16 17.207 -8.452 6.514 1.00 0.00 H new ATOM 0 HG21 THR A 16 15.052 -9.239 6.605 1.00 0.00 H new ATOM 0 HG22 THR A 16 14.043 -7.865 6.094 1.00 0.00 H new ATOM 0 HG23 THR A 16 15.601 -8.172 5.290 1.00 0.00 H new ATOM 243 N LYS A 17 13.717 -4.688 7.040 1.00 0.00 N ATOM 244 CA LYS A 17 12.626 -3.850 7.685 1.00 0.00 C ATOM 245 C LYS A 17 13.096 -2.988 8.878 1.00 0.00 C ATOM 246 O LYS A 17 12.360 -2.820 9.825 1.00 0.00 O ATOM 247 CB LYS A 17 11.482 -4.796 8.149 1.00 0.00 C ATOM 248 CG LYS A 17 10.227 -3.956 8.474 1.00 0.00 C ATOM 249 CD LYS A 17 9.409 -4.650 9.574 1.00 0.00 C ATOM 250 CE LYS A 17 10.191 -4.645 10.889 1.00 0.00 C ATOM 251 NZ LYS A 17 9.765 -5.794 11.735 1.00 0.00 N ATOM 0 H LYS A 17 13.488 -4.988 6.092 1.00 0.00 H new ATOM 0 HA LYS A 17 12.289 -3.143 6.927 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.256 -5.522 7.368 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.794 -5.360 9.028 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.520 -2.958 8.800 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.618 -3.832 7.578 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.455 -4.139 9.707 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.183 -5.675 9.279 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.260 -4.707 10.687 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.021 -3.708 11.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.287 -5.776 12.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.745 -5.725 11.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.965 -6.685 11.237 1.00 0.00 H new ATOM 265 N ASN A 18 14.292 -2.441 8.789 1.00 0.00 N ATOM 266 CA ASN A 18 14.830 -1.579 9.915 1.00 0.00 C ATOM 267 C ASN A 18 16.339 -1.443 9.828 1.00 0.00 C ATOM 268 O ASN A 18 16.872 -0.379 9.602 1.00 0.00 O ATOM 269 CB ASN A 18 14.584 -2.267 11.255 1.00 0.00 C ATOM 270 CG ASN A 18 14.702 -1.249 12.395 1.00 0.00 C ATOM 271 OD1 ASN A 18 14.346 -0.101 12.260 1.00 0.00 O ATOM 272 ND2 ASN A 18 15.199 -1.631 13.533 1.00 0.00 N ATOM 0 H ASN A 18 14.920 -2.550 7.993 1.00 0.00 H new ATOM 0 HA ASN A 18 14.333 -0.613 9.834 1.00 0.00 H new ATOM 0 HB2 ASN A 18 13.594 -2.722 11.263 1.00 0.00 H new ATOM 0 HB3 ASN A 18 15.305 -3.071 11.398 1.00 0.00 H new ATOM 0 HD21 ASN A 18 15.286 -0.965 14.301 1.00 0.00 H new ATOM 0 HD22 ASN A 18 15.503 -2.597 13.659 1.00 0.00 H new ATOM 279 N GLY A 19 16.995 -2.552 10.036 1.00 0.00 N ATOM 280 CA GLY A 19 18.459 -2.560 9.986 1.00 0.00 C ATOM 281 C GLY A 19 19.030 -3.977 10.169 1.00 0.00 C ATOM 282 O GLY A 19 20.212 -4.132 10.392 1.00 0.00 O ATOM 0 H GLY A 19 16.563 -3.454 10.239 1.00 0.00 H new ATOM 0 HA2 GLY A 19 18.792 -2.155 9.031 1.00 0.00 H new ATOM 0 HA3 GLY A 19 18.853 -1.906 10.764 1.00 0.00 H new ATOM 286 N ILE A 20 18.192 -4.982 10.069 1.00 0.00 N ATOM 287 CA ILE A 20 18.702 -6.369 10.238 1.00 0.00 C ATOM 288 C ILE A 20 19.649 -6.699 9.095 1.00 0.00 C ATOM 289 O ILE A 20 19.233 -6.795 7.958 1.00 0.00 O ATOM 290 CB ILE A 20 17.513 -7.332 10.200 1.00 0.00 C ATOM 291 CG1 ILE A 20 16.627 -7.132 11.423 1.00 0.00 C ATOM 292 CG2 ILE A 20 18.029 -8.788 10.209 1.00 0.00 C ATOM 293 CD1 ILE A 20 15.486 -8.156 11.385 1.00 0.00 C ATOM 0 H ILE A 20 17.193 -4.899 9.880 1.00 0.00 H new ATOM 0 HA ILE A 20 19.231 -6.461 11.186 1.00 0.00 H new ATOM 0 HB ILE A 20 16.938 -7.134 9.295 1.00 0.00 H new ATOM 0 HG12 ILE A 20 17.211 -7.253 12.335 1.00 0.00 H new ATOM 0 HG13 ILE A 20 16.224 -6.119 11.435 1.00 0.00 H new ATOM 0 HG21 ILE A 20 17.183 -9.474 10.182 1.00 0.00 H new ATOM 0 HG22 ILE A 20 18.660 -8.956 9.336 1.00 0.00 H new ATOM 0 HG23 ILE A 20 18.609 -8.963 11.115 1.00 0.00 H new ATOM 0 HD11 ILE A 20 14.846 -8.020 12.257 1.00 0.00 H new ATOM 0 HD12 ILE A 20 14.899 -8.013 10.478 1.00 0.00 H new ATOM 0 HD13 ILE A 20 15.901 -9.164 11.393 1.00 0.00 H new ATOM 305 N THR A 21 20.912 -6.844 9.398 1.00 0.00 N ATOM 306 CA THR A 21 21.875 -7.163 8.329 1.00 0.00 C ATOM 307 C THR A 21 21.346 -8.275 7.427 1.00 0.00 C ATOM 308 O THR A 21 21.105 -9.379 7.875 1.00 0.00 O ATOM 309 CB THR A 21 23.195 -7.617 8.960 1.00 0.00 C ATOM 310 OG1 THR A 21 23.329 -6.863 10.151 1.00 0.00 O ATOM 311 CG2 THR A 21 24.374 -7.169 8.098 1.00 0.00 C ATOM 0 H THR A 21 21.307 -6.754 10.334 1.00 0.00 H new ATOM 0 HA THR A 21 22.028 -6.269 7.725 1.00 0.00 H new ATOM 0 HB THR A 21 23.190 -8.699 9.090 1.00 0.00 H new ATOM 0 HG1 THR A 21 24.161 -7.112 10.604 1.00 0.00 H new ATOM 0 HG21 THR A 21 25.306 -7.498 8.557 1.00 0.00 H new ATOM 0 HG22 THR A 21 24.285 -7.607 7.104 1.00 0.00 H new ATOM 0 HG23 THR A 21 24.373 -6.082 8.017 1.00 0.00 H new ATOM 319 N CYS A 22 21.165 -7.942 6.176 1.00 0.00 N ATOM 320 CA CYS A 22 20.649 -8.938 5.191 1.00 0.00 C ATOM 321 C CYS A 22 21.648 -10.112 4.948 1.00 0.00 C ATOM 322 O CYS A 22 22.412 -10.466 5.825 1.00 0.00 O ATOM 323 CB CYS A 22 20.359 -8.183 3.881 1.00 0.00 C ATOM 324 SG CYS A 22 18.658 -7.624 3.605 1.00 0.00 S ATOM 0 H CYS A 22 21.354 -7.016 5.792 1.00 0.00 H new ATOM 0 HA CYS A 22 19.743 -9.398 5.585 1.00 0.00 H new ATOM 0 HB2 CYS A 22 21.011 -7.311 3.843 1.00 0.00 H new ATOM 0 HB3 CYS A 22 20.641 -8.829 3.050 1.00 0.00 H new ATOM 329 N GLN A 23 21.625 -10.684 3.758 1.00 0.00 N ATOM 330 CA GLN A 23 22.561 -11.829 3.454 1.00 0.00 C ATOM 331 C GLN A 23 23.288 -11.678 2.112 1.00 0.00 C ATOM 332 O GLN A 23 23.379 -10.619 1.590 1.00 0.00 O ATOM 333 CB GLN A 23 21.696 -13.075 3.374 1.00 0.00 C ATOM 334 CG GLN A 23 20.448 -12.753 2.542 1.00 0.00 C ATOM 335 CD GLN A 23 19.468 -13.926 2.648 1.00 0.00 C ATOM 336 OE1 GLN A 23 18.753 -14.213 1.738 1.00 0.00 O ATOM 337 NE2 GLN A 23 19.420 -14.641 3.740 1.00 0.00 N ATOM 0 H GLN A 23 21.007 -10.412 2.993 1.00 0.00 H new ATOM 0 HA GLN A 23 23.325 -11.868 4.230 1.00 0.00 H new ATOM 0 HB2 GLN A 23 22.253 -13.894 2.918 1.00 0.00 H new ATOM 0 HB3 GLN A 23 21.410 -13.402 4.374 1.00 0.00 H new ATOM 0 HG2 GLN A 23 19.980 -11.837 2.902 1.00 0.00 H new ATOM 0 HG3 GLN A 23 20.722 -12.583 1.501 1.00 0.00 H new ATOM 0 HE21 GLN A 23 20.025 -14.410 4.528 1.00 0.00 H new ATOM 0 HE22 GLN A 23 18.778 -15.431 3.805 1.00 0.00 H new ATOM 346 N LYS A 24 23.786 -12.783 1.581 1.00 0.00 N ATOM 347 CA LYS A 24 24.510 -12.716 0.270 1.00 0.00 C ATOM 348 C LYS A 24 23.823 -13.606 -0.748 1.00 0.00 C ATOM 349 O LYS A 24 24.387 -13.985 -1.756 1.00 0.00 O ATOM 350 CB LYS A 24 25.928 -13.231 0.464 1.00 0.00 C ATOM 351 CG LYS A 24 25.969 -14.209 1.642 1.00 0.00 C ATOM 352 CD LYS A 24 26.338 -13.441 2.923 1.00 0.00 C ATOM 353 CE LYS A 24 27.851 -13.525 3.154 1.00 0.00 C ATOM 354 NZ LYS A 24 28.573 -12.630 2.204 1.00 0.00 N ATOM 0 H LYS A 24 23.721 -13.712 1.997 1.00 0.00 H new ATOM 0 HA LYS A 24 24.514 -11.684 -0.082 1.00 0.00 H new ATOM 0 HB2 LYS A 24 26.272 -13.727 -0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.605 -12.397 0.648 1.00 0.00 H new ATOM 0 HG2 LYS A 24 25.001 -14.695 1.761 1.00 0.00 H new ATOM 0 HG3 LYS A 24 26.699 -14.996 1.452 1.00 0.00 H new ATOM 0 HD2 LYS A 24 26.030 -12.399 2.836 1.00 0.00 H new ATOM 0 HD3 LYS A 24 25.806 -13.860 3.777 1.00 0.00 H new ATOM 0 HE2 LYS A 24 28.085 -13.241 4.180 1.00 0.00 H new ATOM 0 HE3 LYS A 24 28.189 -14.553 3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 29.562 -12.526 2.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 28.546 -13.043 1.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 28.115 -11.696 2.190 1.00 0.00 H new ATOM 368 N TRP A 25 22.627 -13.926 -0.424 1.00 0.00 N ATOM 369 CA TRP A 25 21.795 -14.797 -1.301 1.00 0.00 C ATOM 370 C TRP A 25 22.488 -16.135 -1.508 1.00 0.00 C ATOM 371 O TRP A 25 22.339 -16.765 -2.529 1.00 0.00 O ATOM 372 CB TRP A 25 21.572 -14.135 -2.686 1.00 0.00 C ATOM 373 CG TRP A 25 20.970 -12.714 -2.568 1.00 0.00 C ATOM 374 CD1 TRP A 25 21.399 -11.689 -3.292 1.00 0.00 C ATOM 375 CD2 TRP A 25 19.961 -12.341 -1.779 1.00 0.00 C ATOM 376 NE1 TRP A 25 20.616 -10.670 -2.916 1.00 0.00 N ATOM 377 CE2 TRP A 25 19.683 -10.992 -1.967 1.00 0.00 C ATOM 378 CE3 TRP A 25 19.193 -13.055 -0.874 1.00 0.00 C ATOM 379 CZ2 TRP A 25 18.670 -10.385 -1.265 1.00 0.00 C ATOM 380 CZ3 TRP A 25 18.176 -12.431 -0.179 1.00 0.00 C ATOM 381 CH2 TRP A 25 17.920 -11.102 -0.376 1.00 0.00 C ATOM 0 H TRP A 25 22.164 -13.620 0.432 1.00 0.00 H new ATOM 0 HA TRP A 25 20.831 -14.943 -0.813 1.00 0.00 H new ATOM 0 HB2 TRP A 25 22.522 -14.082 -3.218 1.00 0.00 H new ATOM 0 HB3 TRP A 25 20.908 -14.760 -3.282 1.00 0.00 H new ATOM 0 HD1 TRP A 25 22.198 -11.679 -4.019 1.00 0.00 H new ATOM 0 HE1 TRP A 25 20.707 -9.731 -3.304 1.00 0.00 H new ATOM 0 HE3 TRP A 25 19.390 -14.104 -0.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 18.465 -9.335 -1.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 17.580 -12.995 0.523 1.00 0.00 H new ATOM 0 HH2 TRP A 25 17.124 -10.619 0.172 1.00 0.00 H new ATOM 392 N SER A 26 23.245 -16.533 -0.521 1.00 0.00 N ATOM 393 CA SER A 26 23.964 -17.824 -0.621 1.00 0.00 C ATOM 394 C SER A 26 22.940 -18.954 -0.773 1.00 0.00 C ATOM 395 O SER A 26 22.611 -19.332 -1.868 1.00 0.00 O ATOM 396 CB SER A 26 24.793 -18.003 0.671 1.00 0.00 C ATOM 397 OG SER A 26 26.136 -17.769 0.267 1.00 0.00 O ATOM 0 H SER A 26 23.393 -16.017 0.346 1.00 0.00 H new ATOM 0 HA SER A 26 24.627 -17.844 -1.486 1.00 0.00 H new ATOM 0 HB2 SER A 26 24.482 -17.299 1.443 1.00 0.00 H new ATOM 0 HB3 SER A 26 24.672 -19.004 1.085 1.00 0.00 H new ATOM 0 HG SER A 26 26.731 -17.863 1.040 1.00 0.00 H new ATOM 403 N SER A 27 22.453 -19.472 0.329 1.00 0.00 N ATOM 404 CA SER A 27 21.440 -20.582 0.242 1.00 0.00 C ATOM 405 C SER A 27 21.135 -21.183 1.591 1.00 0.00 C ATOM 406 O SER A 27 21.634 -20.737 2.608 1.00 0.00 O ATOM 407 CB SER A 27 21.950 -21.711 -0.682 1.00 0.00 C ATOM 408 OG SER A 27 20.758 -22.386 -1.078 1.00 0.00 O ATOM 0 H SER A 27 22.706 -19.183 1.274 1.00 0.00 H new ATOM 0 HA SER A 27 20.530 -20.137 -0.161 1.00 0.00 H new ATOM 0 HB2 SER A 27 22.489 -21.313 -1.541 1.00 0.00 H new ATOM 0 HB3 SER A 27 22.634 -22.379 -0.158 1.00 0.00 H new ATOM 0 HG SER A 27 20.822 -23.333 -0.835 1.00 0.00 H new ATOM 414 N THR A 28 20.322 -22.210 1.555 1.00 0.00 N ATOM 415 CA THR A 28 19.924 -22.910 2.803 1.00 0.00 C ATOM 416 C THR A 28 21.070 -23.035 3.794 1.00 0.00 C ATOM 417 O THR A 28 20.849 -23.138 4.979 1.00 0.00 O ATOM 418 CB THR A 28 19.458 -24.318 2.464 1.00 0.00 C ATOM 419 OG1 THR A 28 18.381 -24.163 1.551 1.00 0.00 O ATOM 420 CG2 THR A 28 18.834 -24.956 3.707 1.00 0.00 C ATOM 0 H THR A 28 19.916 -22.593 0.701 1.00 0.00 H new ATOM 0 HA THR A 28 19.132 -22.316 3.258 1.00 0.00 H new ATOM 0 HB THR A 28 20.288 -24.914 2.085 1.00 0.00 H new ATOM 0 HG1 THR A 28 18.040 -25.045 1.295 1.00 0.00 H new ATOM 0 HG21 THR A 28 18.499 -25.965 3.468 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.575 -24.999 4.505 1.00 0.00 H new ATOM 0 HG23 THR A 28 17.983 -24.359 4.034 1.00 0.00 H new ATOM 428 N SER A 29 22.272 -23.038 3.296 1.00 0.00 N ATOM 429 CA SER A 29 23.431 -23.160 4.212 1.00 0.00 C ATOM 430 C SER A 29 24.422 -21.996 4.035 1.00 0.00 C ATOM 431 O SER A 29 24.816 -21.670 2.931 1.00 0.00 O ATOM 432 CB SER A 29 24.151 -24.468 3.895 1.00 0.00 C ATOM 433 OG SER A 29 25.101 -24.585 4.939 1.00 0.00 O ATOM 0 H SER A 29 22.499 -22.962 2.305 1.00 0.00 H new ATOM 0 HA SER A 29 23.067 -23.140 5.239 1.00 0.00 H new ATOM 0 HB2 SER A 29 23.462 -25.313 3.883 1.00 0.00 H new ATOM 0 HB3 SER A 29 24.631 -24.435 2.917 1.00 0.00 H new ATOM 0 HG SER A 29 25.618 -25.409 4.820 1.00 0.00 H new ATOM 439 N PRO A 30 24.788 -21.372 5.146 1.00 0.00 N ATOM 440 CA PRO A 30 24.269 -21.729 6.480 1.00 0.00 C ATOM 441 C PRO A 30 22.771 -21.435 6.599 1.00 0.00 C ATOM 442 O PRO A 30 22.095 -21.979 7.446 1.00 0.00 O ATOM 443 CB PRO A 30 25.063 -20.836 7.459 1.00 0.00 C ATOM 444 CG PRO A 30 26.021 -19.947 6.609 1.00 0.00 C ATOM 445 CD PRO A 30 25.785 -20.298 5.130 1.00 0.00 C ATOM 0 HA PRO A 30 24.387 -22.793 6.683 1.00 0.00 H new ATOM 0 HB2 PRO A 30 24.387 -20.217 8.048 1.00 0.00 H new ATOM 0 HB3 PRO A 30 25.629 -21.447 8.162 1.00 0.00 H new ATOM 0 HG2 PRO A 30 25.824 -18.890 6.789 1.00 0.00 H new ATOM 0 HG3 PRO A 30 27.060 -20.129 6.885 1.00 0.00 H new ATOM 0 HD2 PRO A 30 25.424 -19.434 4.573 1.00 0.00 H new ATOM 0 HD3 PRO A 30 26.708 -20.624 4.650 1.00 0.00 H new ATOM 453 N HIS A 31 22.299 -20.579 5.733 1.00 0.00 N ATOM 454 CA HIS A 31 20.852 -20.205 5.740 1.00 0.00 C ATOM 455 C HIS A 31 20.558 -19.059 4.773 1.00 0.00 C ATOM 456 O HIS A 31 20.935 -17.933 5.027 1.00 0.00 O ATOM 457 CB HIS A 31 20.417 -19.748 7.135 1.00 0.00 C ATOM 458 CG HIS A 31 18.914 -19.468 7.065 1.00 0.00 C ATOM 459 ND1 HIS A 31 18.037 -20.101 7.686 1.00 0.00 N ATOM 460 CD2 HIS A 31 18.226 -18.547 6.298 1.00 0.00 C ATOM 461 CE1 HIS A 31 16.873 -19.680 7.390 1.00 0.00 C ATOM 462 NE2 HIS A 31 16.900 -18.687 6.512 1.00 0.00 N ATOM 0 H HIS A 31 22.857 -20.118 5.014 1.00 0.00 H new ATOM 0 HA HIS A 31 20.303 -21.096 5.435 1.00 0.00 H new ATOM 0 HB2 HIS A 31 20.632 -20.517 7.877 1.00 0.00 H new ATOM 0 HB3 HIS A 31 20.962 -18.853 7.435 1.00 0.00 H new ATOM 0 HD1 HIS A 31 18.228 -20.856 8.344 1.00 0.00 H new ATOM 0 HD2 HIS A 31 18.678 -17.828 5.631 1.00 0.00 H new ATOM 0 HE1 HIS A 31 15.964 -20.087 7.808 1.00 0.00 H new ATOM 470 N ARG A 32 19.881 -19.368 3.690 1.00 0.00 N ATOM 471 CA ARG A 32 19.543 -18.315 2.685 1.00 0.00 C ATOM 472 C ARG A 32 18.645 -18.913 1.569 1.00 0.00 C ATOM 473 O ARG A 32 18.750 -20.076 1.243 1.00 0.00 O ATOM 474 CB ARG A 32 20.857 -17.765 2.069 1.00 0.00 C ATOM 475 CG ARG A 32 21.209 -16.413 2.720 1.00 0.00 C ATOM 476 CD ARG A 32 22.723 -16.317 2.957 1.00 0.00 C ATOM 477 NE ARG A 32 23.216 -17.556 3.654 1.00 0.00 N ATOM 478 CZ ARG A 32 23.958 -17.441 4.697 1.00 0.00 C ATOM 479 NH1 ARG A 32 25.197 -17.149 4.549 1.00 0.00 N ATOM 480 NH2 ARG A 32 23.434 -17.627 5.846 1.00 0.00 N ATOM 0 H ARG A 32 19.549 -20.305 3.462 1.00 0.00 H new ATOM 0 HA ARG A 32 18.999 -17.506 3.173 1.00 0.00 H new ATOM 0 HB2 ARG A 32 21.668 -18.476 2.224 1.00 0.00 H new ATOM 0 HB3 ARG A 32 20.742 -17.642 0.992 1.00 0.00 H new ATOM 0 HG2 ARG A 32 20.882 -15.596 2.078 1.00 0.00 H new ATOM 0 HG3 ARG A 32 20.678 -16.307 3.666 1.00 0.00 H new ATOM 0 HD2 ARG A 32 23.241 -16.195 2.006 1.00 0.00 H new ATOM 0 HD3 ARG A 32 22.950 -15.437 3.559 1.00 0.00 H new ATOM 0 HE ARG A 32 22.963 -18.479 3.302 1.00 0.00 H new ATOM 0 HH11 ARG A 32 25.580 -17.012 3.614 1.00 0.00 H new ATOM 0 HH12 ARG A 32 25.800 -17.054 5.366 1.00 0.00 H new ATOM 0 HH21 ARG A 32 22.444 -17.862 5.923 1.00 0.00 H new ATOM 0 HH22 ARG A 32 24.005 -17.541 6.687 1.00 0.00 H new ATOM 494 N PRO A 33 17.766 -18.090 1.024 1.00 0.00 N ATOM 495 CA PRO A 33 16.841 -18.517 -0.049 1.00 0.00 C ATOM 496 C PRO A 33 17.544 -18.736 -1.407 1.00 0.00 C ATOM 497 O PRO A 33 18.736 -18.546 -1.540 1.00 0.00 O ATOM 498 CB PRO A 33 15.846 -17.339 -0.180 1.00 0.00 C ATOM 499 CG PRO A 33 16.400 -16.166 0.680 1.00 0.00 C ATOM 500 CD PRO A 33 17.626 -16.696 1.443 1.00 0.00 C ATOM 0 HA PRO A 33 16.381 -19.473 0.202 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.744 -17.036 -1.222 1.00 0.00 H new ATOM 0 HB3 PRO A 33 14.855 -17.633 0.165 1.00 0.00 H new ATOM 0 HG2 PRO A 33 16.677 -15.323 0.047 1.00 0.00 H new ATOM 0 HG3 PRO A 33 15.641 -15.807 1.375 1.00 0.00 H new ATOM 0 HD2 PRO A 33 18.519 -16.121 1.201 1.00 0.00 H new ATOM 0 HD3 PRO A 33 17.481 -16.622 2.521 1.00 0.00 H new ATOM 508 N ARG A 34 16.761 -19.130 -2.387 1.00 0.00 N ATOM 509 CA ARG A 34 17.315 -19.378 -3.758 1.00 0.00 C ATOM 510 C ARG A 34 16.634 -18.432 -4.755 1.00 0.00 C ATOM 511 O ARG A 34 16.223 -18.819 -5.832 1.00 0.00 O ATOM 512 CB ARG A 34 17.037 -20.852 -4.164 1.00 0.00 C ATOM 513 CG ARG A 34 15.815 -21.404 -3.400 1.00 0.00 C ATOM 514 CD ARG A 34 16.291 -22.120 -2.130 1.00 0.00 C ATOM 515 NE ARG A 34 15.100 -22.677 -1.408 1.00 0.00 N ATOM 516 CZ ARG A 34 15.016 -23.948 -1.189 1.00 0.00 C ATOM 517 NH1 ARG A 34 15.745 -24.472 -0.263 1.00 0.00 N ATOM 518 NH2 ARG A 34 14.201 -24.645 -1.899 1.00 0.00 N ATOM 0 H ARG A 34 15.758 -19.291 -2.295 1.00 0.00 H new ATOM 0 HA ARG A 34 18.390 -19.198 -3.761 1.00 0.00 H new ATOM 0 HB2 ARG A 34 16.859 -20.912 -5.238 1.00 0.00 H new ATOM 0 HB3 ARG A 34 17.913 -21.465 -3.952 1.00 0.00 H new ATOM 0 HG2 ARG A 34 15.137 -20.591 -3.140 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.258 -22.094 -4.033 1.00 0.00 H new ATOM 0 HD2 ARG A 34 16.984 -22.921 -2.387 1.00 0.00 H new ATOM 0 HD3 ARG A 34 16.831 -21.426 -1.486 1.00 0.00 H new ATOM 0 HE ARG A 34 14.358 -22.054 -1.090 1.00 0.00 H new ATOM 0 HH11 ARG A 34 16.375 -23.885 0.283 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.691 -25.473 -0.077 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.637 -24.193 -2.618 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.119 -25.650 -1.743 1.00 0.00 H new ATOM 532 N PHE A 35 16.534 -17.204 -4.339 1.00 0.00 N ATOM 533 CA PHE A 35 15.896 -16.144 -5.181 1.00 0.00 C ATOM 534 C PHE A 35 16.642 -15.903 -6.507 1.00 0.00 C ATOM 535 O PHE A 35 17.775 -16.303 -6.656 1.00 0.00 O ATOM 536 CB PHE A 35 15.945 -14.856 -4.354 1.00 0.00 C ATOM 537 CG PHE A 35 14.903 -13.857 -4.848 1.00 0.00 C ATOM 538 CD1 PHE A 35 13.623 -13.863 -4.324 1.00 0.00 C ATOM 539 CD2 PHE A 35 15.245 -12.888 -5.773 1.00 0.00 C ATOM 540 CE1 PHE A 35 12.706 -12.913 -4.715 1.00 0.00 C ATOM 541 CE2 PHE A 35 14.327 -11.939 -6.161 1.00 0.00 C ATOM 542 CZ PHE A 35 13.059 -11.949 -5.631 1.00 0.00 C ATOM 0 H PHE A 35 16.873 -16.878 -3.434 1.00 0.00 H new ATOM 0 HA PHE A 35 14.884 -16.455 -5.441 1.00 0.00 H new ATOM 0 HB2 PHE A 35 15.766 -15.086 -3.304 1.00 0.00 H new ATOM 0 HB3 PHE A 35 16.939 -14.414 -4.419 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.341 -14.617 -3.604 1.00 0.00 H new ATOM 0 HD2 PHE A 35 16.239 -12.876 -6.194 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.708 -12.925 -4.302 1.00 0.00 H new ATOM 0 HE2 PHE A 35 14.603 -11.185 -6.883 1.00 0.00 H new ATOM 0 HZ PHE A 35 12.341 -11.201 -5.933 1.00 0.00 H new ATOM 552 N SER A 36 15.951 -15.210 -7.423 1.00 0.00 N ATOM 553 CA SER A 36 16.515 -14.865 -8.806 1.00 0.00 C ATOM 554 C SER A 36 15.574 -15.219 -10.011 1.00 0.00 C ATOM 555 O SER A 36 16.000 -15.123 -11.148 1.00 0.00 O ATOM 556 CB SER A 36 17.846 -15.610 -9.061 1.00 0.00 C ATOM 557 OG SER A 36 18.821 -14.840 -8.377 1.00 0.00 O ATOM 0 H SER A 36 15.004 -14.864 -7.266 1.00 0.00 H new ATOM 0 HA SER A 36 16.639 -13.783 -8.771 1.00 0.00 H new ATOM 0 HB2 SER A 36 17.808 -16.631 -8.681 1.00 0.00 H new ATOM 0 HB3 SER A 36 18.067 -15.674 -10.126 1.00 0.00 H new ATOM 0 HG SER A 36 18.936 -15.189 -7.469 1.00 0.00 H new ATOM 563 N PRO A 37 14.327 -15.624 -9.766 1.00 0.00 N ATOM 564 CA PRO A 37 13.408 -15.968 -10.873 1.00 0.00 C ATOM 565 C PRO A 37 13.215 -14.798 -11.867 1.00 0.00 C ATOM 566 O PRO A 37 13.082 -13.654 -11.479 1.00 0.00 O ATOM 567 CB PRO A 37 12.077 -16.315 -10.175 1.00 0.00 C ATOM 568 CG PRO A 37 12.367 -16.369 -8.646 1.00 0.00 C ATOM 569 CD PRO A 37 13.756 -15.780 -8.424 1.00 0.00 C ATOM 0 HA PRO A 37 13.802 -16.788 -11.473 1.00 0.00 H new ATOM 0 HB2 PRO A 37 11.318 -15.565 -10.398 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.694 -17.272 -10.529 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.617 -15.803 -8.093 1.00 0.00 H new ATOM 0 HG3 PRO A 37 12.323 -17.396 -8.283 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.699 -14.822 -7.906 1.00 0.00 H new ATOM 0 HD3 PRO A 37 14.369 -16.439 -7.809 1.00 0.00 H new ATOM 577 N ALA A 38 13.193 -15.132 -13.140 1.00 0.00 N ATOM 578 CA ALA A 38 13.012 -14.082 -14.196 1.00 0.00 C ATOM 579 C ALA A 38 11.573 -13.542 -14.253 1.00 0.00 C ATOM 580 O ALA A 38 11.329 -12.500 -14.823 1.00 0.00 O ATOM 581 CB ALA A 38 13.351 -14.716 -15.555 1.00 0.00 C ATOM 0 H ALA A 38 13.292 -16.085 -13.491 1.00 0.00 H new ATOM 0 HA ALA A 38 13.667 -13.244 -13.957 1.00 0.00 H new ATOM 0 HB1 ALA A 38 13.228 -13.974 -16.344 1.00 0.00 H new ATOM 0 HB2 ALA A 38 14.383 -15.067 -15.545 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.683 -15.557 -15.741 1.00 0.00 H new ATOM 587 N THR A 39 10.654 -14.252 -13.655 1.00 0.00 N ATOM 588 CA THR A 39 9.233 -13.797 -13.664 1.00 0.00 C ATOM 589 C THR A 39 9.044 -12.678 -12.646 1.00 0.00 C ATOM 590 O THR A 39 7.999 -12.531 -12.040 1.00 0.00 O ATOM 591 CB THR A 39 8.337 -14.995 -13.289 1.00 0.00 C ATOM 592 OG1 THR A 39 7.018 -14.493 -13.266 1.00 0.00 O ATOM 593 CG2 THR A 39 8.595 -15.457 -11.846 1.00 0.00 C ATOM 0 H THR A 39 10.826 -15.127 -13.161 1.00 0.00 H new ATOM 0 HA THR A 39 8.966 -13.422 -14.652 1.00 0.00 H new ATOM 0 HB THR A 39 8.519 -15.811 -13.988 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.941 -13.808 -12.569 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.948 -16.303 -11.613 1.00 0.00 H new ATOM 0 HG22 THR A 39 9.637 -15.758 -11.741 1.00 0.00 H new ATOM 0 HG23 THR A 39 8.383 -14.638 -11.158 1.00 0.00 H new ATOM 601 N HIS A 40 10.078 -11.925 -12.481 1.00 0.00 N ATOM 602 CA HIS A 40 10.043 -10.794 -11.519 1.00 0.00 C ATOM 603 C HIS A 40 9.827 -9.437 -12.201 1.00 0.00 C ATOM 604 O HIS A 40 10.205 -9.236 -13.337 1.00 0.00 O ATOM 605 CB HIS A 40 11.390 -10.788 -10.830 1.00 0.00 C ATOM 606 CG HIS A 40 11.360 -11.854 -9.761 1.00 0.00 C ATOM 607 ND1 HIS A 40 10.702 -12.912 -9.821 1.00 0.00 N ATOM 608 CD2 HIS A 40 11.977 -11.873 -8.558 1.00 0.00 C ATOM 609 CE1 HIS A 40 10.843 -13.600 -8.770 1.00 0.00 C ATOM 610 NE2 HIS A 40 11.649 -13.012 -7.896 1.00 0.00 N ATOM 0 H HIS A 40 10.962 -12.041 -12.976 1.00 0.00 H new ATOM 0 HA HIS A 40 9.208 -10.931 -10.831 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.187 -10.986 -11.546 1.00 0.00 H new ATOM 0 HB3 HIS A 40 11.591 -9.811 -10.391 1.00 0.00 H new ATOM 0 HD2 HIS A 40 12.631 -11.100 -8.181 1.00 0.00 H new ATOM 0 HE1 HIS A 40 10.364 -14.554 -8.603 1.00 0.00 H new ATOM 0 HE2 HIS A 40 11.944 -13.331 -6.973 1.00 0.00 H new ATOM 618 N PRO A 41 9.211 -8.518 -11.465 1.00 0.00 N ATOM 619 CA PRO A 41 8.934 -7.177 -11.976 1.00 0.00 C ATOM 620 C PRO A 41 10.214 -6.443 -12.358 1.00 0.00 C ATOM 621 O PRO A 41 10.217 -5.609 -13.242 1.00 0.00 O ATOM 622 CB PRO A 41 8.279 -6.439 -10.790 1.00 0.00 C ATOM 623 CG PRO A 41 8.055 -7.468 -9.657 1.00 0.00 C ATOM 624 CD PRO A 41 8.738 -8.765 -10.086 1.00 0.00 C ATOM 0 HA PRO A 41 8.311 -7.221 -12.870 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.918 -5.626 -10.446 1.00 0.00 H new ATOM 0 HB3 PRO A 41 7.332 -5.993 -11.094 1.00 0.00 H new ATOM 0 HG2 PRO A 41 8.474 -7.105 -8.718 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.990 -7.631 -9.489 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.568 -9.011 -9.423 1.00 0.00 H new ATOM 0 HD3 PRO A 41 8.044 -9.605 -10.052 1.00 0.00 H new ATOM 632 N SER A 42 11.281 -6.767 -11.682 1.00 0.00 N ATOM 633 CA SER A 42 12.569 -6.094 -11.993 1.00 0.00 C ATOM 634 C SER A 42 13.746 -6.802 -11.303 1.00 0.00 C ATOM 635 O SER A 42 13.713 -8.001 -11.101 1.00 0.00 O ATOM 636 CB SER A 42 12.452 -4.660 -11.466 1.00 0.00 C ATOM 637 OG SER A 42 13.607 -3.981 -11.937 1.00 0.00 O ATOM 0 H SER A 42 11.316 -7.461 -10.936 1.00 0.00 H new ATOM 0 HA SER A 42 12.759 -6.118 -13.066 1.00 0.00 H new ATOM 0 HB2 SER A 42 11.542 -4.183 -11.829 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.406 -4.646 -10.377 1.00 0.00 H new ATOM 0 HG SER A 42 14.113 -4.571 -12.534 1.00 0.00 H new ATOM 643 N GLU A 43 14.756 -6.043 -10.932 1.00 0.00 N ATOM 644 CA GLU A 43 15.928 -6.659 -10.262 1.00 0.00 C ATOM 645 C GLU A 43 16.301 -5.937 -8.991 1.00 0.00 C ATOM 646 O GLU A 43 16.001 -4.774 -8.811 1.00 0.00 O ATOM 647 CB GLU A 43 17.120 -6.629 -11.239 1.00 0.00 C ATOM 648 CG GLU A 43 17.672 -5.188 -11.373 1.00 0.00 C ATOM 649 CD GLU A 43 17.081 -4.503 -12.613 1.00 0.00 C ATOM 650 OE1 GLU A 43 15.888 -4.659 -12.806 1.00 0.00 O ATOM 651 OE2 GLU A 43 17.857 -3.859 -13.290 1.00 0.00 O ATOM 0 H GLU A 43 14.810 -5.033 -11.067 1.00 0.00 H new ATOM 0 HA GLU A 43 15.669 -7.682 -9.990 1.00 0.00 H new ATOM 0 HB2 GLU A 43 17.906 -7.295 -10.884 1.00 0.00 H new ATOM 0 HB3 GLU A 43 16.807 -6.998 -12.216 1.00 0.00 H new ATOM 0 HG2 GLU A 43 17.427 -4.613 -10.480 1.00 0.00 H new ATOM 0 HG3 GLU A 43 18.759 -5.213 -11.447 1.00 0.00 H new ATOM 658 N GLY A 44 16.953 -6.659 -8.127 1.00 0.00 N ATOM 659 CA GLY A 44 17.379 -6.068 -6.836 1.00 0.00 C ATOM 660 C GLY A 44 18.113 -7.107 -6.004 1.00 0.00 C ATOM 661 O GLY A 44 19.202 -6.872 -5.576 1.00 0.00 O ATOM 0 H GLY A 44 17.209 -7.637 -8.262 1.00 0.00 H new ATOM 0 HA2 GLY A 44 18.027 -5.210 -7.016 1.00 0.00 H new ATOM 0 HA3 GLY A 44 16.510 -5.701 -6.290 1.00 0.00 H new ATOM 665 N LEU A 45 17.481 -8.243 -5.803 1.00 0.00 N ATOM 666 CA LEU A 45 18.115 -9.324 -5.000 1.00 0.00 C ATOM 667 C LEU A 45 19.471 -9.748 -5.575 1.00 0.00 C ATOM 668 O LEU A 45 19.615 -10.815 -6.139 1.00 0.00 O ATOM 669 CB LEU A 45 17.168 -10.534 -4.990 1.00 0.00 C ATOM 670 CG LEU A 45 15.998 -10.313 -3.995 1.00 0.00 C ATOM 671 CD1 LEU A 45 16.032 -11.427 -2.966 1.00 0.00 C ATOM 672 CD2 LEU A 45 16.124 -8.974 -3.256 1.00 0.00 C ATOM 0 H LEU A 45 16.552 -8.461 -6.164 1.00 0.00 H new ATOM 0 HA LEU A 45 18.290 -8.949 -3.992 1.00 0.00 H new ATOM 0 HB2 LEU A 45 16.772 -10.699 -5.992 1.00 0.00 H new ATOM 0 HB3 LEU A 45 17.721 -11.432 -4.714 1.00 0.00 H new ATOM 0 HG LEU A 45 15.065 -10.308 -4.559 1.00 0.00 H new ATOM 0 HD11 LEU A 45 15.217 -11.291 -2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 45 15.920 -12.389 -3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 45 16.984 -11.403 -2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 45 15.286 -8.857 -2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 45 17.058 -8.955 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 45 16.117 -8.158 -3.978 1.00 0.00 H new ATOM 684 N GLU A 46 20.423 -8.884 -5.409 1.00 0.00 N ATOM 685 CA GLU A 46 21.776 -9.133 -5.894 1.00 0.00 C ATOM 686 C GLU A 46 22.674 -9.384 -4.699 1.00 0.00 C ATOM 687 O GLU A 46 22.361 -8.931 -3.618 1.00 0.00 O ATOM 688 CB GLU A 46 22.241 -7.857 -6.635 1.00 0.00 C ATOM 689 CG GLU A 46 23.422 -7.207 -5.887 1.00 0.00 C ATOM 690 CD GLU A 46 23.983 -6.060 -6.721 1.00 0.00 C ATOM 691 OE1 GLU A 46 24.374 -6.344 -7.841 1.00 0.00 O ATOM 692 OE2 GLU A 46 23.992 -4.962 -6.191 1.00 0.00 O ATOM 0 H GLU A 46 20.302 -7.987 -4.939 1.00 0.00 H new ATOM 0 HA GLU A 46 21.812 -9.995 -6.561 1.00 0.00 H new ATOM 0 HB2 GLU A 46 22.539 -8.107 -7.653 1.00 0.00 H new ATOM 0 HB3 GLU A 46 21.415 -7.150 -6.710 1.00 0.00 H new ATOM 0 HG2 GLU A 46 23.092 -6.837 -4.916 1.00 0.00 H new ATOM 0 HG3 GLU A 46 24.199 -7.948 -5.699 1.00 0.00 H new ATOM 699 N GLU A 47 23.763 -10.100 -4.912 1.00 0.00 N ATOM 700 CA GLU A 47 24.716 -10.400 -3.784 1.00 0.00 C ATOM 701 C GLU A 47 24.015 -10.355 -2.422 1.00 0.00 C ATOM 702 O GLU A 47 23.591 -11.350 -1.899 1.00 0.00 O ATOM 703 CB GLU A 47 25.838 -9.328 -3.809 1.00 0.00 C ATOM 704 CG GLU A 47 27.077 -9.898 -4.543 1.00 0.00 C ATOM 705 CD GLU A 47 28.284 -8.951 -4.387 1.00 0.00 C ATOM 706 OE1 GLU A 47 28.200 -8.088 -3.525 1.00 0.00 O ATOM 707 OE2 GLU A 47 29.227 -9.152 -5.139 1.00 0.00 O ATOM 0 H GLU A 47 24.032 -10.488 -5.816 1.00 0.00 H new ATOM 0 HA GLU A 47 25.117 -11.404 -3.920 1.00 0.00 H new ATOM 0 HB2 GLU A 47 25.485 -8.428 -4.313 1.00 0.00 H new ATOM 0 HB3 GLU A 47 26.104 -9.040 -2.792 1.00 0.00 H new ATOM 0 HG2 GLU A 47 27.324 -10.880 -4.141 1.00 0.00 H new ATOM 0 HG3 GLU A 47 26.849 -10.034 -5.600 1.00 0.00 H new ATOM 714 N ASN A 48 23.902 -9.185 -1.913 1.00 0.00 N ATOM 715 CA ASN A 48 23.251 -8.968 -0.605 1.00 0.00 C ATOM 716 C ASN A 48 22.274 -7.805 -0.775 1.00 0.00 C ATOM 717 O ASN A 48 22.588 -6.686 -0.432 1.00 0.00 O ATOM 718 CB ASN A 48 24.376 -8.563 0.388 1.00 0.00 C ATOM 719 CG ASN A 48 23.789 -8.161 1.742 1.00 0.00 C ATOM 720 OD1 ASN A 48 24.498 -7.784 2.651 1.00 0.00 O ATOM 721 ND2 ASN A 48 22.511 -8.237 1.928 1.00 0.00 N ATOM 0 H ASN A 48 24.244 -8.334 -2.360 1.00 0.00 H new ATOM 0 HA ASN A 48 22.721 -9.850 -0.244 1.00 0.00 H new ATOM 0 HB2 ASN A 48 25.068 -9.395 0.519 1.00 0.00 H new ATOM 0 HB3 ASN A 48 24.950 -7.733 -0.025 1.00 0.00 H new ATOM 0 HD21 ASN A 48 22.111 -7.981 2.831 1.00 0.00 H new ATOM 0 HD22 ASN A 48 21.903 -8.552 1.172 1.00 0.00 H new ATOM 728 N TYR A 49 21.105 -8.074 -1.310 1.00 0.00 N ATOM 729 CA TYR A 49 20.159 -6.968 -1.488 1.00 0.00 C ATOM 730 C TYR A 49 18.936 -6.962 -0.658 1.00 0.00 C ATOM 731 O TYR A 49 18.653 -7.839 0.113 1.00 0.00 O ATOM 732 CB TYR A 49 19.674 -6.974 -2.924 1.00 0.00 C ATOM 733 CG TYR A 49 20.039 -5.622 -3.473 1.00 0.00 C ATOM 734 CD1 TYR A 49 21.335 -5.199 -3.387 1.00 0.00 C ATOM 735 CD2 TYR A 49 19.085 -4.785 -3.980 1.00 0.00 C ATOM 736 CE1 TYR A 49 21.684 -3.932 -3.800 1.00 0.00 C ATOM 737 CE2 TYR A 49 19.423 -3.517 -4.395 1.00 0.00 C ATOM 738 CZ TYR A 49 20.725 -3.079 -4.307 1.00 0.00 C ATOM 739 OH TYR A 49 21.064 -1.812 -4.712 1.00 0.00 O ATOM 0 H TYR A 49 20.786 -8.993 -1.619 1.00 0.00 H new ATOM 0 HA TYR A 49 20.739 -6.097 -1.183 1.00 0.00 H new ATOM 0 HB2 TYR A 49 20.148 -7.772 -3.496 1.00 0.00 H new ATOM 0 HB3 TYR A 49 18.598 -7.142 -2.975 1.00 0.00 H new ATOM 0 HD1 TYR A 49 22.091 -5.862 -2.993 1.00 0.00 H new ATOM 0 HD2 TYR A 49 18.061 -5.120 -4.055 1.00 0.00 H new ATOM 0 HE1 TYR A 49 22.711 -3.605 -3.727 1.00 0.00 H new ATOM 0 HE2 TYR A 49 18.662 -2.862 -4.792 1.00 0.00 H new ATOM 0 HH TYR A 49 20.266 -1.350 -5.043 1.00 0.00 H new ATOM 749 N CYS A 50 18.230 -5.907 -0.889 1.00 0.00 N ATOM 750 CA CYS A 50 16.984 -5.650 -0.217 1.00 0.00 C ATOM 751 C CYS A 50 16.161 -4.784 -1.157 1.00 0.00 C ATOM 752 O CYS A 50 16.353 -3.585 -1.239 1.00 0.00 O ATOM 753 CB CYS A 50 17.325 -4.919 1.073 1.00 0.00 C ATOM 754 SG CYS A 50 16.138 -4.970 2.394 1.00 0.00 S ATOM 0 H CYS A 50 18.498 -5.184 -1.557 1.00 0.00 H new ATOM 0 HA CYS A 50 16.418 -6.549 0.028 1.00 0.00 H new ATOM 0 HB2 CYS A 50 18.263 -5.326 1.450 1.00 0.00 H new ATOM 0 HB3 CYS A 50 17.507 -3.873 0.827 1.00 0.00 H new ATOM 759 N ARG A 51 15.262 -5.422 -1.850 1.00 0.00 N ATOM 760 CA ARG A 51 14.398 -4.677 -2.814 1.00 0.00 C ATOM 761 C ARG A 51 13.053 -5.384 -2.960 1.00 0.00 C ATOM 762 O ARG A 51 12.638 -6.115 -2.079 1.00 0.00 O ATOM 763 CB ARG A 51 15.156 -4.656 -4.200 1.00 0.00 C ATOM 764 CG ARG A 51 14.577 -3.559 -5.133 1.00 0.00 C ATOM 765 CD ARG A 51 14.182 -4.121 -6.503 1.00 0.00 C ATOM 766 NE ARG A 51 13.626 -2.980 -7.303 1.00 0.00 N ATOM 767 CZ ARG A 51 13.240 -3.146 -8.517 1.00 0.00 C ATOM 768 NH1 ARG A 51 14.123 -3.225 -9.443 1.00 0.00 N ATOM 769 NH2 ARG A 51 11.981 -3.224 -8.755 1.00 0.00 N ATOM 0 H ARG A 51 15.086 -6.425 -1.793 1.00 0.00 H new ATOM 0 HA ARG A 51 14.209 -3.662 -2.464 1.00 0.00 H new ATOM 0 HB2 ARG A 51 16.218 -4.475 -4.035 1.00 0.00 H new ATOM 0 HB3 ARG A 51 15.070 -5.630 -4.681 1.00 0.00 H new ATOM 0 HG2 ARG A 51 13.705 -3.106 -4.662 1.00 0.00 H new ATOM 0 HG3 ARG A 51 15.315 -2.768 -5.265 1.00 0.00 H new ATOM 0 HD2 ARG A 51 15.046 -4.558 -7.004 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.441 -4.913 -6.396 1.00 0.00 H new ATOM 0 HE ARG A 51 13.553 -2.057 -6.876 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.114 -3.156 -9.210 1.00 0.00 H new ATOM 0 HH12 ARG A 51 13.835 -3.357 -10.413 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.312 -3.154 -7.988 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.650 -3.356 -9.711 1.00 0.00 H new ATOM 783 N ASN A 52 12.395 -5.156 -4.060 1.00 0.00 N ATOM 784 CA ASN A 52 11.081 -5.813 -4.265 1.00 0.00 C ATOM 785 C ASN A 52 11.005 -6.556 -5.615 1.00 0.00 C ATOM 786 O ASN A 52 9.987 -6.519 -6.284 1.00 0.00 O ATOM 787 CB ASN A 52 9.985 -4.726 -4.273 1.00 0.00 C ATOM 788 CG ASN A 52 9.218 -4.751 -2.953 1.00 0.00 C ATOM 789 OD1 ASN A 52 9.128 -3.762 -2.249 1.00 0.00 O ATOM 790 ND2 ASN A 52 8.664 -5.851 -2.577 1.00 0.00 N ATOM 0 H ASN A 52 12.708 -4.549 -4.818 1.00 0.00 H new ATOM 0 HA ASN A 52 10.944 -6.535 -3.460 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.435 -3.745 -4.423 1.00 0.00 H new ATOM 0 HB3 ASN A 52 9.300 -4.894 -5.105 1.00 0.00 H new ATOM 0 HD21 ASN A 52 8.154 -5.890 -1.695 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.735 -6.684 -3.162 1.00 0.00 H new ATOM 797 N PRO A 53 12.071 -7.245 -5.998 1.00 0.00 N ATOM 798 CA PRO A 53 12.067 -7.965 -7.255 1.00 0.00 C ATOM 799 C PRO A 53 11.107 -9.112 -7.168 1.00 0.00 C ATOM 800 O PRO A 53 10.783 -9.725 -8.139 1.00 0.00 O ATOM 801 CB PRO A 53 13.501 -8.487 -7.420 1.00 0.00 C ATOM 802 CG PRO A 53 14.309 -8.017 -6.184 1.00 0.00 C ATOM 803 CD PRO A 53 13.308 -7.381 -5.218 1.00 0.00 C ATOM 0 HA PRO A 53 11.763 -7.340 -8.095 1.00 0.00 H new ATOM 0 HB2 PRO A 53 13.508 -9.575 -7.492 1.00 0.00 H new ATOM 0 HB3 PRO A 53 13.946 -8.104 -8.338 1.00 0.00 H new ATOM 0 HG2 PRO A 53 14.820 -8.857 -5.714 1.00 0.00 H new ATOM 0 HG3 PRO A 53 15.076 -7.299 -6.474 1.00 0.00 H new ATOM 0 HD2 PRO A 53 13.155 -8.006 -4.338 1.00 0.00 H new ATOM 0 HD3 PRO A 53 13.661 -6.413 -4.863 1.00 0.00 H new ATOM 811 N ASP A 54 10.681 -9.368 -5.980 1.00 0.00 N ATOM 812 CA ASP A 54 9.737 -10.464 -5.749 1.00 0.00 C ATOM 813 C ASP A 54 8.297 -10.001 -6.016 1.00 0.00 C ATOM 814 O ASP A 54 7.451 -10.792 -6.373 1.00 0.00 O ATOM 815 CB ASP A 54 9.895 -10.869 -4.280 1.00 0.00 C ATOM 816 CG ASP A 54 9.418 -9.724 -3.377 1.00 0.00 C ATOM 817 OD1 ASP A 54 9.781 -8.591 -3.688 1.00 0.00 O ATOM 818 OD2 ASP A 54 8.734 -10.037 -2.427 1.00 0.00 O ATOM 0 H ASP A 54 10.954 -8.852 -5.144 1.00 0.00 H new ATOM 0 HA ASP A 54 9.939 -11.301 -6.418 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.318 -11.771 -4.077 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.938 -11.103 -4.067 1.00 0.00 H new ATOM 823 N ASN A 55 8.069 -8.712 -5.839 1.00 0.00 N ATOM 824 CA ASN A 55 6.701 -8.124 -6.068 1.00 0.00 C ATOM 825 C ASN A 55 5.817 -8.271 -4.832 1.00 0.00 C ATOM 826 O ASN A 55 4.924 -9.101 -4.795 1.00 0.00 O ATOM 827 CB ASN A 55 6.012 -8.843 -7.250 1.00 0.00 C ATOM 828 CG ASN A 55 4.768 -8.059 -7.664 1.00 0.00 C ATOM 829 OD1 ASN A 55 4.784 -7.302 -8.608 1.00 0.00 O ATOM 830 ND2 ASN A 55 3.672 -8.212 -6.986 1.00 0.00 N ATOM 0 H ASN A 55 8.777 -8.040 -5.544 1.00 0.00 H new ATOM 0 HA ASN A 55 6.831 -7.064 -6.287 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.700 -8.925 -8.091 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.737 -9.858 -6.963 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.833 -7.696 -7.250 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.650 -8.848 -6.189 1.00 0.00 H new ATOM 837 N ASP A 56 6.069 -7.460 -3.852 1.00 0.00 N ATOM 838 CA ASP A 56 5.255 -7.538 -2.618 1.00 0.00 C ATOM 839 C ASP A 56 4.680 -6.157 -2.268 1.00 0.00 C ATOM 840 O ASP A 56 5.348 -5.325 -1.677 1.00 0.00 O ATOM 841 CB ASP A 56 6.162 -8.029 -1.470 1.00 0.00 C ATOM 842 CG ASP A 56 5.330 -8.808 -0.449 1.00 0.00 C ATOM 843 OD1 ASP A 56 4.163 -9.022 -0.741 1.00 0.00 O ATOM 844 OD2 ASP A 56 5.910 -9.146 0.569 1.00 0.00 O ATOM 0 H ASP A 56 6.800 -6.749 -3.852 1.00 0.00 H new ATOM 0 HA ASP A 56 4.424 -8.227 -2.768 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.955 -8.663 -1.867 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.645 -7.179 -0.987 1.00 0.00 H new ATOM 849 N PRO A 57 3.433 -5.946 -2.652 1.00 0.00 N ATOM 850 CA PRO A 57 2.744 -4.676 -2.393 1.00 0.00 C ATOM 851 C PRO A 57 2.612 -4.393 -0.889 1.00 0.00 C ATOM 852 O PRO A 57 1.561 -4.569 -0.306 1.00 0.00 O ATOM 853 CB PRO A 57 1.345 -4.850 -3.034 1.00 0.00 C ATOM 854 CG PRO A 57 1.289 -6.280 -3.651 1.00 0.00 C ATOM 855 CD PRO A 57 2.636 -6.960 -3.360 1.00 0.00 C ATOM 0 HA PRO A 57 3.297 -3.832 -2.806 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.562 -4.724 -2.286 1.00 0.00 H new ATOM 0 HB3 PRO A 57 1.178 -4.094 -3.801 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.469 -6.853 -3.218 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.110 -6.228 -4.725 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.503 -7.853 -2.750 1.00 0.00 H new ATOM 0 HD3 PRO A 57 3.126 -7.274 -4.282 1.00 0.00 H new ATOM 863 N GLN A 58 3.692 -3.959 -0.296 1.00 0.00 N ATOM 864 CA GLN A 58 3.666 -3.656 1.156 1.00 0.00 C ATOM 865 C GLN A 58 5.009 -3.122 1.638 1.00 0.00 C ATOM 866 O GLN A 58 5.095 -2.027 2.164 1.00 0.00 O ATOM 867 CB GLN A 58 3.332 -4.943 1.941 1.00 0.00 C ATOM 868 CG GLN A 58 4.339 -6.062 1.596 1.00 0.00 C ATOM 869 CD GLN A 58 3.741 -7.395 2.030 1.00 0.00 C ATOM 870 OE1 GLN A 58 3.990 -7.874 3.106 1.00 0.00 O ATOM 871 NE2 GLN A 58 2.941 -8.017 1.234 1.00 0.00 N ATOM 0 H GLN A 58 4.588 -3.803 -0.757 1.00 0.00 H new ATOM 0 HA GLN A 58 2.907 -2.892 1.327 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.357 -4.740 3.012 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.320 -5.270 1.702 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.546 -6.069 0.526 1.00 0.00 H new ATOM 0 HG3 GLN A 58 5.288 -5.888 2.103 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.722 -7.622 0.320 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.527 -8.905 1.518 1.00 0.00 H new ATOM 880 N GLY A 59 6.041 -3.899 1.441 1.00 0.00 N ATOM 881 CA GLY A 59 7.381 -3.446 1.886 1.00 0.00 C ATOM 882 C GLY A 59 8.499 -4.219 1.181 1.00 0.00 C ATOM 883 O GLY A 59 8.346 -5.370 0.813 1.00 0.00 O ATOM 0 H GLY A 59 6.011 -4.816 0.996 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.491 -2.380 1.684 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.471 -3.577 2.964 1.00 0.00 H new ATOM 887 N PRO A 60 9.610 -3.536 0.998 1.00 0.00 N ATOM 888 CA PRO A 60 10.774 -4.129 0.347 1.00 0.00 C ATOM 889 C PRO A 60 11.321 -5.175 1.296 1.00 0.00 C ATOM 890 O PRO A 60 11.536 -4.885 2.439 1.00 0.00 O ATOM 891 CB PRO A 60 11.777 -2.963 0.200 1.00 0.00 C ATOM 892 CG PRO A 60 11.202 -1.767 1.024 1.00 0.00 C ATOM 893 CD PRO A 60 9.774 -2.144 1.438 1.00 0.00 C ATOM 0 HA PRO A 60 10.564 -4.593 -0.617 1.00 0.00 H new ATOM 0 HB2 PRO A 60 12.761 -3.250 0.571 1.00 0.00 H new ATOM 0 HB3 PRO A 60 11.899 -2.688 -0.848 1.00 0.00 H new ATOM 0 HG2 PRO A 60 11.818 -1.574 1.902 1.00 0.00 H new ATOM 0 HG3 PRO A 60 11.201 -0.855 0.428 1.00 0.00 H new ATOM 0 HD2 PRO A 60 9.637 -2.051 2.515 1.00 0.00 H new ATOM 0 HD3 PRO A 60 9.040 -1.491 0.966 1.00 0.00 H new ATOM 901 N TRP A 61 11.534 -6.352 0.814 1.00 0.00 N ATOM 902 CA TRP A 61 12.070 -7.436 1.710 1.00 0.00 C ATOM 903 C TRP A 61 13.471 -7.886 1.358 1.00 0.00 C ATOM 904 O TRP A 61 14.159 -7.334 0.491 1.00 0.00 O ATOM 905 CB TRP A 61 11.160 -8.669 1.547 1.00 0.00 C ATOM 906 CG TRP A 61 11.420 -9.191 0.154 1.00 0.00 C ATOM 907 CD1 TRP A 61 11.102 -8.514 -0.919 1.00 0.00 C ATOM 908 CD2 TRP A 61 12.143 -10.253 -0.153 1.00 0.00 C ATOM 909 NE1 TRP A 61 11.682 -9.190 -1.910 1.00 0.00 N ATOM 910 CE2 TRP A 61 12.355 -10.300 -1.514 1.00 0.00 C ATOM 911 CE3 TRP A 61 12.672 -11.250 0.646 1.00 0.00 C ATOM 912 CZ2 TRP A 61 13.083 -11.309 -2.075 1.00 0.00 C ATOM 913 CZ3 TRP A 61 13.407 -12.276 0.073 1.00 0.00 C ATOM 914 CH2 TRP A 61 13.611 -12.302 -1.286 1.00 0.00 C ATOM 0 H TRP A 61 11.367 -6.627 -0.154 1.00 0.00 H new ATOM 0 HA TRP A 61 12.092 -7.028 2.720 1.00 0.00 H new ATOM 0 HB2 TRP A 61 11.389 -9.426 2.297 1.00 0.00 H new ATOM 0 HB3 TRP A 61 10.111 -8.401 1.675 1.00 0.00 H new ATOM 0 HD1 TRP A 61 10.507 -7.615 -0.986 1.00 0.00 H new ATOM 0 HE1 TRP A 61 11.625 -8.897 -2.885 1.00 0.00 H new ATOM 0 HE3 TRP A 61 12.513 -11.229 1.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 13.245 -11.327 -3.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 13.820 -13.056 0.695 1.00 0.00 H new ATOM 0 HH2 TRP A 61 14.185 -13.101 -1.732 1.00 0.00 H new ATOM 925 N CYS A 62 13.847 -8.900 2.076 1.00 0.00 N ATOM 926 CA CYS A 62 15.164 -9.518 1.919 1.00 0.00 C ATOM 927 C CYS A 62 15.403 -10.459 3.073 1.00 0.00 C ATOM 928 O CYS A 62 14.833 -10.289 4.134 1.00 0.00 O ATOM 929 CB CYS A 62 16.234 -8.447 1.948 1.00 0.00 C ATOM 930 SG CYS A 62 17.915 -9.001 2.334 1.00 0.00 S ATOM 0 H CYS A 62 13.264 -9.335 2.791 1.00 0.00 H new ATOM 0 HA CYS A 62 15.201 -10.055 0.971 1.00 0.00 H new ATOM 0 HB2 CYS A 62 16.251 -7.954 0.976 1.00 0.00 H new ATOM 0 HB3 CYS A 62 15.945 -7.695 2.682 1.00 0.00 H new ATOM 935 N TYR A 63 16.221 -11.437 2.858 1.00 0.00 N ATOM 936 CA TYR A 63 16.496 -12.389 3.949 1.00 0.00 C ATOM 937 C TYR A 63 17.855 -12.091 4.569 1.00 0.00 C ATOM 938 O TYR A 63 18.515 -11.135 4.199 1.00 0.00 O ATOM 939 CB TYR A 63 16.496 -13.815 3.361 1.00 0.00 C ATOM 940 CG TYR A 63 15.087 -14.404 3.409 1.00 0.00 C ATOM 941 CD1 TYR A 63 14.016 -13.693 2.923 1.00 0.00 C ATOM 942 CD2 TYR A 63 14.871 -15.664 3.928 1.00 0.00 C ATOM 943 CE1 TYR A 63 12.747 -14.231 2.952 1.00 0.00 C ATOM 944 CE2 TYR A 63 13.602 -16.200 3.956 1.00 0.00 C ATOM 945 CZ TYR A 63 12.534 -15.486 3.470 1.00 0.00 C ATOM 946 OH TYR A 63 11.268 -16.021 3.507 1.00 0.00 O ATOM 0 H TYR A 63 16.708 -11.617 1.980 1.00 0.00 H new ATOM 0 HA TYR A 63 15.733 -12.299 4.722 1.00 0.00 H new ATOM 0 HB2 TYR A 63 16.854 -13.792 2.332 1.00 0.00 H new ATOM 0 HB3 TYR A 63 17.182 -14.448 3.923 1.00 0.00 H new ATOM 0 HD1 TYR A 63 14.170 -12.705 2.515 1.00 0.00 H new ATOM 0 HD2 TYR A 63 15.703 -16.234 4.315 1.00 0.00 H new ATOM 0 HE1 TYR A 63 11.914 -13.662 2.565 1.00 0.00 H new ATOM 0 HE2 TYR A 63 13.446 -17.188 4.363 1.00 0.00 H new ATOM 0 HH TYR A 63 11.325 -16.984 3.678 1.00 0.00 H new ATOM 956 N THR A 64 18.251 -12.887 5.510 1.00 0.00 N ATOM 957 CA THR A 64 19.569 -12.636 6.143 1.00 0.00 C ATOM 958 C THR A 64 20.337 -13.925 6.335 1.00 0.00 C ATOM 959 O THR A 64 19.796 -15.002 6.223 1.00 0.00 O ATOM 960 CB THR A 64 19.379 -11.940 7.487 1.00 0.00 C ATOM 961 OG1 THR A 64 19.358 -12.967 8.466 1.00 0.00 O ATOM 962 CG2 THR A 64 18.000 -11.262 7.580 1.00 0.00 C ATOM 0 H THR A 64 17.731 -13.689 5.866 1.00 0.00 H new ATOM 0 HA THR A 64 20.146 -11.991 5.480 1.00 0.00 H new ATOM 0 HB THR A 64 20.167 -11.198 7.618 1.00 0.00 H new ATOM 0 HG1 THR A 64 18.451 -13.331 8.539 1.00 0.00 H new ATOM 0 HG21 THR A 64 17.898 -10.776 8.550 1.00 0.00 H new ATOM 0 HG22 THR A 64 17.907 -10.517 6.789 1.00 0.00 H new ATOM 0 HG23 THR A 64 17.217 -12.012 7.466 1.00 0.00 H new ATOM 970 N THR A 65 21.586 -13.785 6.613 1.00 0.00 N ATOM 971 CA THR A 65 22.447 -14.977 6.820 1.00 0.00 C ATOM 972 C THR A 65 22.017 -15.845 8.003 1.00 0.00 C ATOM 973 O THR A 65 22.656 -16.851 8.272 1.00 0.00 O ATOM 974 CB THR A 65 23.866 -14.468 7.097 1.00 0.00 C ATOM 975 OG1 THR A 65 23.694 -13.162 7.595 1.00 0.00 O ATOM 976 CG2 THR A 65 24.645 -14.259 5.800 1.00 0.00 C ATOM 0 H THR A 65 22.061 -12.888 6.709 1.00 0.00 H new ATOM 0 HA THR A 65 22.376 -15.598 5.927 1.00 0.00 H new ATOM 0 HB THR A 65 24.384 -15.173 7.748 1.00 0.00 H new ATOM 0 HG1 THR A 65 24.570 -12.771 7.798 1.00 0.00 H new ATOM 0 HG21 THR A 65 25.647 -13.898 6.032 1.00 0.00 H new ATOM 0 HG22 THR A 65 24.715 -15.204 5.262 1.00 0.00 H new ATOM 0 HG23 THR A 65 24.129 -13.526 5.180 1.00 0.00 H new ATOM 984 N ASP A 66 20.947 -15.479 8.675 1.00 0.00 N ATOM 985 CA ASP A 66 20.517 -16.312 9.834 1.00 0.00 C ATOM 986 C ASP A 66 19.004 -16.638 9.846 1.00 0.00 C ATOM 987 O ASP A 66 18.175 -15.792 9.599 1.00 0.00 O ATOM 988 CB ASP A 66 20.831 -15.508 11.091 1.00 0.00 C ATOM 989 CG ASP A 66 22.132 -15.993 11.705 1.00 0.00 C ATOM 990 OD1 ASP A 66 22.038 -16.891 12.517 1.00 0.00 O ATOM 991 OD2 ASP A 66 23.146 -15.434 11.331 1.00 0.00 O ATOM 0 H ASP A 66 20.371 -14.662 8.475 1.00 0.00 H new ATOM 0 HA ASP A 66 21.043 -17.265 9.775 1.00 0.00 H new ATOM 0 HB2 ASP A 66 20.908 -14.449 10.846 1.00 0.00 H new ATOM 0 HB3 ASP A 66 20.019 -15.611 11.811 1.00 0.00 H new ATOM 996 N PRO A 67 18.704 -17.890 10.160 1.00 0.00 N ATOM 997 CA PRO A 67 17.318 -18.393 10.230 1.00 0.00 C ATOM 998 C PRO A 67 16.452 -17.569 11.197 1.00 0.00 C ATOM 999 O PRO A 67 15.394 -17.104 10.828 1.00 0.00 O ATOM 1000 CB PRO A 67 17.463 -19.843 10.757 1.00 0.00 C ATOM 1001 CG PRO A 67 18.979 -20.088 11.021 1.00 0.00 C ATOM 1002 CD PRO A 67 19.735 -18.880 10.444 1.00 0.00 C ATOM 0 HA PRO A 67 16.824 -18.331 9.260 1.00 0.00 H new ATOM 0 HB2 PRO A 67 16.886 -19.979 11.672 1.00 0.00 H new ATOM 0 HB3 PRO A 67 17.079 -20.557 10.029 1.00 0.00 H new ATOM 0 HG2 PRO A 67 19.173 -20.191 12.089 1.00 0.00 H new ATOM 0 HG3 PRO A 67 19.309 -21.012 10.547 1.00 0.00 H new ATOM 0 HD2 PRO A 67 20.466 -18.496 11.155 1.00 0.00 H new ATOM 0 HD3 PRO A 67 20.281 -19.151 9.541 1.00 0.00 H new ATOM 1010 N GLU A 68 16.910 -17.412 12.421 1.00 0.00 N ATOM 1011 CA GLU A 68 16.110 -16.615 13.412 1.00 0.00 C ATOM 1012 C GLU A 68 15.703 -15.278 12.797 1.00 0.00 C ATOM 1013 O GLU A 68 14.616 -14.777 13.016 1.00 0.00 O ATOM 1014 CB GLU A 68 17.001 -16.346 14.637 1.00 0.00 C ATOM 1015 CG GLU A 68 17.189 -17.652 15.425 1.00 0.00 C ATOM 1016 CD GLU A 68 16.419 -17.568 16.743 1.00 0.00 C ATOM 1017 OE1 GLU A 68 15.210 -17.431 16.655 1.00 0.00 O ATOM 1018 OE2 GLU A 68 17.081 -17.646 17.764 1.00 0.00 O ATOM 0 H GLU A 68 17.788 -17.794 12.772 1.00 0.00 H new ATOM 0 HA GLU A 68 15.213 -17.167 13.694 1.00 0.00 H new ATOM 0 HB2 GLU A 68 17.968 -15.957 14.319 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.546 -15.587 15.273 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.833 -18.498 14.837 1.00 0.00 H new ATOM 0 HG3 GLU A 68 18.248 -17.822 15.620 1.00 0.00 H new ATOM 1025 N LYS A 69 16.605 -14.744 12.036 1.00 0.00 N ATOM 1026 CA LYS A 69 16.372 -13.448 11.359 1.00 0.00 C ATOM 1027 C LYS A 69 16.363 -13.693 9.870 1.00 0.00 C ATOM 1028 O LYS A 69 16.793 -12.875 9.099 1.00 0.00 O ATOM 1029 CB LYS A 69 17.556 -12.522 11.691 1.00 0.00 C ATOM 1030 CG LYS A 69 18.868 -13.295 11.462 1.00 0.00 C ATOM 1031 CD LYS A 69 20.053 -12.438 11.952 1.00 0.00 C ATOM 1032 CE LYS A 69 20.798 -11.847 10.750 1.00 0.00 C ATOM 1033 NZ LYS A 69 19.891 -10.964 9.970 1.00 0.00 N ATOM 0 H LYS A 69 17.517 -15.162 11.850 1.00 0.00 H new ATOM 0 HA LYS A 69 15.431 -13.002 11.680 1.00 0.00 H new ATOM 0 HB2 LYS A 69 17.527 -11.632 11.062 1.00 0.00 H new ATOM 0 HB3 LYS A 69 17.493 -12.184 12.725 1.00 0.00 H new ATOM 0 HG2 LYS A 69 18.844 -14.244 11.998 1.00 0.00 H new ATOM 0 HG3 LYS A 69 18.986 -13.530 10.404 1.00 0.00 H new ATOM 0 HD2 LYS A 69 19.692 -11.637 12.597 1.00 0.00 H new ATOM 0 HD3 LYS A 69 20.732 -13.047 12.549 1.00 0.00 H new ATOM 0 HE2 LYS A 69 21.664 -11.280 11.092 1.00 0.00 H new ATOM 0 HE3 LYS A 69 21.173 -12.649 10.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 20.456 -10.330 9.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 19.271 -11.546 9.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 19.311 -10.398 10.623 1.00 0.00 H new ATOM 1047 N ARG A 70 15.858 -14.829 9.498 1.00 0.00 N ATOM 1048 CA ARG A 70 15.805 -15.174 8.062 1.00 0.00 C ATOM 1049 C ARG A 70 15.389 -14.004 7.188 1.00 0.00 C ATOM 1050 O ARG A 70 15.912 -13.854 6.113 1.00 0.00 O ATOM 1051 CB ARG A 70 14.829 -16.341 7.865 1.00 0.00 C ATOM 1052 CG ARG A 70 13.421 -15.817 7.570 1.00 0.00 C ATOM 1053 CD ARG A 70 12.532 -17.008 7.213 1.00 0.00 C ATOM 1054 NE ARG A 70 11.512 -16.581 6.202 1.00 0.00 N ATOM 1055 CZ ARG A 70 10.320 -17.067 6.255 1.00 0.00 C ATOM 1056 NH1 ARG A 70 10.174 -18.340 6.277 1.00 0.00 N ATOM 1057 NH2 ARG A 70 9.322 -16.263 6.278 1.00 0.00 N ATOM 0 H ARG A 70 15.479 -15.534 10.130 1.00 0.00 H new ATOM 0 HA ARG A 70 16.812 -15.454 7.754 1.00 0.00 H new ATOM 0 HB2 ARG A 70 15.168 -16.972 7.044 1.00 0.00 H new ATOM 0 HB3 ARG A 70 14.812 -16.964 8.759 1.00 0.00 H new ATOM 0 HG2 ARG A 70 13.022 -15.291 8.437 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.446 -15.102 6.748 1.00 0.00 H new ATOM 0 HD2 ARG A 70 13.138 -17.821 6.814 1.00 0.00 H new ATOM 0 HD3 ARG A 70 12.037 -17.388 8.107 1.00 0.00 H new ATOM 0 HE ARG A 70 11.760 -15.909 5.476 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.993 -18.948 6.253 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.239 -18.745 6.319 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.478 -15.255 6.254 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.372 -16.631 6.320 1.00 0.00 H new ATOM 1071 N TYR A 71 14.478 -13.177 7.655 1.00 0.00 N ATOM 1072 CA TYR A 71 14.071 -12.036 6.798 1.00 0.00 C ATOM 1073 C TYR A 71 13.076 -11.071 7.446 1.00 0.00 C ATOM 1074 O TYR A 71 12.709 -11.180 8.602 1.00 0.00 O ATOM 1075 CB TYR A 71 13.390 -12.604 5.528 1.00 0.00 C ATOM 1076 CG TYR A 71 11.879 -12.800 5.779 1.00 0.00 C ATOM 1077 CD1 TYR A 71 11.424 -13.308 6.979 1.00 0.00 C ATOM 1078 CD2 TYR A 71 10.956 -12.457 4.811 1.00 0.00 C ATOM 1079 CE1 TYR A 71 10.075 -13.469 7.207 1.00 0.00 C ATOM 1080 CE2 TYR A 71 9.603 -12.620 5.042 1.00 0.00 C ATOM 1081 CZ TYR A 71 9.157 -13.127 6.241 1.00 0.00 C ATOM 1082 OH TYR A 71 7.809 -13.293 6.470 1.00 0.00 O ATOM 0 H TYR A 71 14.018 -13.245 8.563 1.00 0.00 H new ATOM 0 HA TYR A 71 14.982 -11.472 6.596 1.00 0.00 H new ATOM 0 HB2 TYR A 71 13.542 -11.924 4.689 1.00 0.00 H new ATOM 0 HB3 TYR A 71 13.848 -13.555 5.255 1.00 0.00 H new ATOM 0 HD1 TYR A 71 12.132 -13.582 7.747 1.00 0.00 H new ATOM 0 HD2 TYR A 71 11.294 -12.058 3.866 1.00 0.00 H new ATOM 0 HE1 TYR A 71 9.735 -13.867 8.152 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.891 -12.348 4.277 1.00 0.00 H new ATOM 0 HH TYR A 71 7.305 -13.000 5.682 1.00 0.00 H new ATOM 1092 N ASP A 72 12.671 -10.160 6.608 1.00 0.00 N ATOM 1093 CA ASP A 72 11.700 -9.086 6.960 1.00 0.00 C ATOM 1094 C ASP A 72 11.687 -8.094 5.790 1.00 0.00 C ATOM 1095 O ASP A 72 12.337 -8.344 4.783 1.00 0.00 O ATOM 1096 CB ASP A 72 12.148 -8.355 8.254 1.00 0.00 C ATOM 1097 CG ASP A 72 10.909 -7.839 9.012 1.00 0.00 C ATOM 1098 OD1 ASP A 72 9.901 -7.644 8.355 1.00 0.00 O ATOM 1099 OD2 ASP A 72 11.046 -7.658 10.208 1.00 0.00 O ATOM 0 H ASP A 72 12.992 -10.115 5.641 1.00 0.00 H new ATOM 0 HA ASP A 72 10.710 -9.507 7.136 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.718 -9.034 8.888 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.807 -7.523 8.004 1.00 0.00 H new ATOM 1104 N TYR A 73 10.965 -7.008 5.903 1.00 0.00 N ATOM 1105 CA TYR A 73 10.967 -6.053 4.754 1.00 0.00 C ATOM 1106 C TYR A 73 12.293 -5.343 4.655 1.00 0.00 C ATOM 1107 O TYR A 73 13.324 -5.972 4.671 1.00 0.00 O ATOM 1108 CB TYR A 73 9.819 -5.040 4.885 1.00 0.00 C ATOM 1109 CG TYR A 73 8.580 -5.856 4.921 1.00 0.00 C ATOM 1110 CD1 TYR A 73 8.112 -6.454 3.775 1.00 0.00 C ATOM 1111 CD2 TYR A 73 7.989 -6.147 6.121 1.00 0.00 C ATOM 1112 CE1 TYR A 73 7.076 -7.340 3.836 1.00 0.00 C ATOM 1113 CE2 TYR A 73 6.957 -7.033 6.177 1.00 0.00 C ATOM 1114 CZ TYR A 73 6.497 -7.634 5.039 1.00 0.00 C ATOM 1115 OH TYR A 73 5.465 -8.541 5.116 1.00 0.00 O ATOM 0 H TYR A 73 10.395 -6.747 6.708 1.00 0.00 H new ATOM 0 HA TYR A 73 10.815 -6.623 3.838 1.00 0.00 H new ATOM 0 HB2 TYR A 73 9.923 -4.442 5.791 1.00 0.00 H new ATOM 0 HB3 TYR A 73 9.809 -4.346 4.045 1.00 0.00 H new ATOM 0 HD1 TYR A 73 8.566 -6.222 2.823 1.00 0.00 H new ATOM 0 HD2 TYR A 73 8.342 -5.673 7.025 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.713 -7.809 2.933 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.498 -7.263 7.127 1.00 0.00 H new ATOM 0 HH TYR A 73 4.831 -8.378 4.387 1.00 0.00 H new ATOM 1125 N CYS A 74 12.271 -4.054 4.556 1.00 0.00 N ATOM 1126 CA CYS A 74 13.560 -3.341 4.457 1.00 0.00 C ATOM 1127 C CYS A 74 13.518 -1.959 5.027 1.00 0.00 C ATOM 1128 O CYS A 74 12.467 -1.382 5.198 1.00 0.00 O ATOM 1129 CB CYS A 74 13.876 -3.198 2.982 1.00 0.00 C ATOM 1130 SG CYS A 74 15.590 -3.054 2.541 1.00 0.00 S ATOM 0 H CYS A 74 11.434 -3.472 4.539 1.00 0.00 H new ATOM 0 HA CYS A 74 14.299 -3.913 5.018 1.00 0.00 H new ATOM 0 HB2 CYS A 74 13.462 -4.061 2.461 1.00 0.00 H new ATOM 0 HB3 CYS A 74 13.353 -2.318 2.606 1.00 0.00 H new ATOM 1135 N ASP A 75 14.673 -1.449 5.307 1.00 0.00 N ATOM 1136 CA ASP A 75 14.744 -0.109 5.860 1.00 0.00 C ATOM 1137 C ASP A 75 14.818 0.878 4.676 1.00 0.00 C ATOM 1138 O ASP A 75 15.513 1.874 4.698 1.00 0.00 O ATOM 1139 CB ASP A 75 15.996 -0.037 6.769 1.00 0.00 C ATOM 1140 CG ASP A 75 16.254 1.410 7.214 1.00 0.00 C ATOM 1141 OD1 ASP A 75 15.269 2.096 7.444 1.00 0.00 O ATOM 1142 OD2 ASP A 75 17.428 1.744 7.302 1.00 0.00 O ATOM 0 H ASP A 75 15.570 -1.916 5.171 1.00 0.00 H new ATOM 0 HA ASP A 75 13.874 0.147 6.465 1.00 0.00 H new ATOM 0 HB2 ASP A 75 15.855 -0.673 7.643 1.00 0.00 H new ATOM 0 HB3 ASP A 75 16.865 -0.419 6.233 1.00 0.00 H new ATOM 1147 N ILE A 76 14.071 0.534 3.636 1.00 0.00 N ATOM 1148 CA ILE A 76 14.028 1.387 2.402 1.00 0.00 C ATOM 1149 C ILE A 76 12.917 2.415 2.541 1.00 0.00 C ATOM 1150 O ILE A 76 11.800 2.072 2.879 1.00 0.00 O ATOM 1151 CB ILE A 76 13.711 0.486 1.171 1.00 0.00 C ATOM 1152 CG1 ILE A 76 15.001 0.160 0.392 1.00 0.00 C ATOM 1153 CG2 ILE A 76 12.736 1.249 0.215 1.00 0.00 C ATOM 1154 CD1 ILE A 76 14.627 -0.452 -0.956 1.00 0.00 C ATOM 0 H ILE A 76 13.491 -0.304 3.596 1.00 0.00 H new ATOM 0 HA ILE A 76 14.988 1.886 2.271 1.00 0.00 H new ATOM 0 HB ILE A 76 13.259 -0.441 1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 76 15.590 1.065 0.244 1.00 0.00 H new ATOM 0 HG13 ILE A 76 15.620 -0.534 0.962 1.00 0.00 H new ATOM 0 HG21 ILE A 76 12.510 0.624 -0.649 1.00 0.00 H new ATOM 0 HG22 ILE A 76 11.813 1.481 0.746 1.00 0.00 H new ATOM 0 HG23 ILE A 76 13.205 2.174 -0.120 1.00 0.00 H new ATOM 0 HD11 ILE A 76 15.534 -0.686 -1.514 1.00 0.00 H new ATOM 0 HD12 ILE A 76 14.055 -1.366 -0.795 1.00 0.00 H new ATOM 0 HD13 ILE A 76 14.025 0.258 -1.523 1.00 0.00 H new ATOM 1166 N LEU A 77 13.235 3.652 2.271 1.00 0.00 N ATOM 1167 CA LEU A 77 12.201 4.715 2.382 1.00 0.00 C ATOM 1168 C LEU A 77 10.872 4.203 1.818 1.00 0.00 C ATOM 1169 O LEU A 77 10.753 3.971 0.637 1.00 0.00 O ATOM 1170 CB LEU A 77 12.674 5.928 1.548 1.00 0.00 C ATOM 1171 CG LEU A 77 13.608 6.826 2.386 1.00 0.00 C ATOM 1172 CD1 LEU A 77 12.785 7.582 3.432 1.00 0.00 C ATOM 1173 CD2 LEU A 77 14.659 5.964 3.099 1.00 0.00 C ATOM 0 H LEU A 77 14.160 3.969 1.980 1.00 0.00 H new ATOM 0 HA LEU A 77 12.059 4.996 3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 77 13.196 5.582 0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.812 6.504 1.211 1.00 0.00 H new ATOM 0 HG LEU A 77 14.108 7.535 1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 77 13.444 8.217 4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.040 8.200 2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.284 6.868 4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.315 6.604 3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 77 14.160 5.252 3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.249 5.423 2.359 1.00 0.00 H new ATOM 1185 N GLU A 78 9.910 4.019 2.676 1.00 0.00 N ATOM 1186 CA GLU A 78 8.588 3.521 2.199 1.00 0.00 C ATOM 1187 C GLU A 78 7.989 4.449 1.146 1.00 0.00 C ATOM 1188 O GLU A 78 8.183 5.649 1.180 1.00 0.00 O ATOM 1189 CB GLU A 78 7.646 3.428 3.409 1.00 0.00 C ATOM 1190 CG GLU A 78 8.331 2.583 4.509 1.00 0.00 C ATOM 1191 CD GLU A 78 7.396 1.463 4.979 1.00 0.00 C ATOM 1192 OE1 GLU A 78 6.799 0.852 4.108 1.00 0.00 O ATOM 1193 OE2 GLU A 78 7.338 1.279 6.182 1.00 0.00 O ATOM 0 H GLU A 78 9.978 4.190 3.679 1.00 0.00 H new ATOM 0 HA GLU A 78 8.720 2.543 1.736 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.417 4.425 3.786 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.700 2.972 3.117 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.257 2.156 4.125 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.599 3.220 5.352 1.00 0.00 H new ATOM 1200 N CYS A 79 7.261 3.864 0.233 1.00 0.00 N ATOM 1201 CA CYS A 79 6.628 4.671 -0.848 1.00 0.00 C ATOM 1202 C CYS A 79 5.577 3.853 -1.594 1.00 0.00 C ATOM 1203 O CYS A 79 4.611 4.466 -2.012 1.00 0.00 O ATOM 1204 CB CYS A 79 7.722 5.069 -1.853 1.00 0.00 C ATOM 1205 SG CYS A 79 9.430 5.116 -1.268 1.00 0.00 S ATOM 1206 OXT CYS A 79 5.806 2.660 -1.717 1.00 0.00 O ATOM 0 H CYS A 79 7.078 2.862 0.190 1.00 0.00 H new ATOM 0 HA CYS A 79 6.151 5.544 -0.403 1.00 0.00 H new ATOM 0 HB2 CYS A 79 7.675 4.374 -2.691 1.00 0.00 H new ATOM 0 HB3 CYS A 79 7.475 6.056 -2.243 1.00 0.00 H new TER 1211 CYS A 79