USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 400 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 181 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0906 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= -0.192 USER MOD Single : A 9 THR OG1 : rot -32:sc= 0.0698 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN :FLIP amide:sc= -1.34! C(o=-2.2!,f=-1.3!) USER MOD Single : A 25 THR OG1 : rot -61:sc= 1.62 USER MOD Single : A 26 ASN : amide:sc= -5.24! C(o=-5.2!,f=-8.6!) USER MOD Single : A 29 LYS NZ :NH3+ 152:sc= -1.27 (180deg=-2.62!) USER MOD Single : A 30 ASN : amide:sc= -0.483 X(o=-0.48,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.366) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= -0.0923 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 137:sc= -0.657 (180deg=-1.85!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0495 K(o=-0.05,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.485 -3.233 13.521 1.00 0.00 N ATOM 2 CA GLY A 1 -16.613 -2.959 12.102 1.00 0.00 C ATOM 3 C GLY A 1 -15.286 -2.611 11.457 1.00 0.00 C ATOM 4 O GLY A 1 -14.900 -1.443 11.405 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.419 -3.466 13.915 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.840 -4.036 13.663 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.105 -2.394 14.004 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.038 -3.830 11.604 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.312 -2.135 11.956 1.00 0.00 H new ATOM 8 N SER A 2 -14.584 -3.628 10.965 1.00 0.00 N ATOM 9 CA SER A 2 -13.290 -3.425 10.326 1.00 0.00 C ATOM 10 C SER A 2 -13.462 -3.054 8.856 1.00 0.00 C ATOM 11 O SER A 2 -13.059 -1.973 8.425 1.00 0.00 O ATOM 12 CB SER A 2 -12.433 -4.686 10.448 1.00 0.00 C ATOM 13 OG SER A 2 -11.054 -4.364 10.488 1.00 0.00 O ATOM 0 H SER A 2 -14.891 -4.600 10.997 1.00 0.00 H new ATOM 0 HA SER A 2 -12.787 -2.602 10.834 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.709 -5.231 11.351 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.631 -5.347 9.604 1.00 0.00 H new ATOM 0 HG SER A 2 -10.528 -5.187 10.568 1.00 0.00 H new ATOM 19 N SER A 3 -14.065 -3.959 8.091 1.00 0.00 N ATOM 20 CA SER A 3 -14.288 -3.730 6.668 1.00 0.00 C ATOM 21 C SER A 3 -15.503 -2.835 6.446 1.00 0.00 C ATOM 22 O SER A 3 -16.420 -2.799 7.266 1.00 0.00 O ATOM 23 CB SER A 3 -14.481 -5.062 5.940 1.00 0.00 C ATOM 24 OG SER A 3 -15.626 -5.744 6.421 1.00 0.00 O ATOM 0 H SER A 3 -14.408 -4.857 8.433 1.00 0.00 H new ATOM 0 HA SER A 3 -13.410 -3.227 6.264 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.583 -4.884 4.870 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.598 -5.686 6.077 1.00 0.00 H new ATOM 0 HG SER A 3 -15.729 -6.591 5.939 1.00 0.00 H new ATOM 30 N GLY A 4 -15.503 -2.113 5.329 1.00 0.00 N ATOM 31 CA GLY A 4 -16.610 -1.227 5.018 1.00 0.00 C ATOM 32 C GLY A 4 -16.147 0.158 4.614 1.00 0.00 C ATOM 33 O GLY A 4 -16.633 0.721 3.633 1.00 0.00 O ATOM 0 H GLY A 4 -14.756 -2.126 4.634 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.202 -1.659 4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.264 -1.149 5.886 1.00 0.00 H new ATOM 37 N SER A 5 -15.207 0.711 5.373 1.00 0.00 N ATOM 38 CA SER A 5 -14.682 2.043 5.092 1.00 0.00 C ATOM 39 C SER A 5 -13.468 1.965 4.171 1.00 0.00 C ATOM 40 O SER A 5 -13.400 2.659 3.157 1.00 0.00 O ATOM 41 CB SER A 5 -14.304 2.750 6.395 1.00 0.00 C ATOM 42 OG SER A 5 -13.314 2.023 7.102 1.00 0.00 O ATOM 0 H SER A 5 -14.793 0.258 6.188 1.00 0.00 H new ATOM 0 HA SER A 5 -15.461 2.616 4.589 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.936 3.752 6.175 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.190 2.866 7.020 1.00 0.00 H new ATOM 0 HG SER A 5 -13.089 2.497 7.930 1.00 0.00 H new ATOM 48 N SER A 6 -12.512 1.116 4.533 1.00 0.00 N ATOM 49 CA SER A 6 -11.298 0.950 3.742 1.00 0.00 C ATOM 50 C SER A 6 -11.631 0.491 2.326 1.00 0.00 C ATOM 51 O SER A 6 -12.619 -0.209 2.104 1.00 0.00 O ATOM 52 CB SER A 6 -10.363 -0.060 4.411 1.00 0.00 C ATOM 53 OG SER A 6 -9.910 0.418 5.666 1.00 0.00 O ATOM 0 H SER A 6 -12.554 0.533 5.369 1.00 0.00 H new ATOM 0 HA SER A 6 -10.797 1.916 3.684 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.883 -1.008 4.546 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.509 -0.255 3.763 1.00 0.00 H new ATOM 0 HG SER A 6 -9.316 -0.246 6.074 1.00 0.00 H new ATOM 59 N GLY A 7 -10.798 0.891 1.370 1.00 0.00 N ATOM 60 CA GLY A 7 -11.020 0.512 -0.014 1.00 0.00 C ATOM 61 C GLY A 7 -11.299 -0.969 -0.172 1.00 0.00 C ATOM 62 O GLY A 7 -10.400 -1.797 -0.018 1.00 0.00 O ATOM 0 H GLY A 7 -9.974 1.470 1.529 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.859 1.081 -0.413 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.144 0.779 -0.605 1.00 0.00 H new ATOM 66 N TYR A 8 -12.547 -1.305 -0.478 1.00 0.00 N ATOM 67 CA TYR A 8 -12.943 -2.698 -0.652 1.00 0.00 C ATOM 68 C TYR A 8 -12.037 -3.399 -1.661 1.00 0.00 C ATOM 69 O TYR A 8 -11.158 -2.779 -2.261 1.00 0.00 O ATOM 70 CB TYR A 8 -14.399 -2.782 -1.113 1.00 0.00 C ATOM 71 CG TYR A 8 -14.561 -2.767 -2.616 1.00 0.00 C ATOM 72 CD1 TYR A 8 -14.475 -3.941 -3.355 1.00 0.00 C ATOM 73 CD2 TYR A 8 -14.799 -1.580 -3.297 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.621 -3.933 -4.729 1.00 0.00 C ATOM 75 CE2 TYR A 8 -14.948 -1.563 -4.671 1.00 0.00 C ATOM 76 CZ TYR A 8 -14.858 -2.741 -5.382 1.00 0.00 C ATOM 77 OH TYR A 8 -15.004 -2.727 -6.750 1.00 0.00 O ATOM 0 H TYR A 8 -13.302 -0.632 -0.611 1.00 0.00 H new ATOM 0 HA TYR A 8 -12.844 -3.201 0.310 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -14.844 -3.695 -0.717 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -14.955 -1.946 -0.688 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.291 -4.876 -2.846 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -14.869 -0.655 -2.744 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.550 -4.854 -5.288 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -15.134 -0.632 -5.185 1.00 0.00 H new ATOM 0 HH TYR A 8 -15.167 -1.809 -7.052 1.00 0.00 H new ATOM 87 N THR A 9 -12.259 -4.697 -1.843 1.00 0.00 N ATOM 88 CA THR A 9 -11.465 -5.484 -2.777 1.00 0.00 C ATOM 89 C THR A 9 -12.182 -6.775 -3.158 1.00 0.00 C ATOM 90 O THR A 9 -12.986 -7.300 -2.387 1.00 0.00 O ATOM 91 CB THR A 9 -10.085 -5.832 -2.188 1.00 0.00 C ATOM 92 OG1 THR A 9 -9.507 -4.672 -1.578 1.00 0.00 O ATOM 93 CG2 THR A 9 -9.153 -6.362 -3.267 1.00 0.00 C ATOM 0 H THR A 9 -12.983 -5.225 -1.355 1.00 0.00 H new ATOM 0 HA THR A 9 -11.328 -4.871 -3.668 1.00 0.00 H new ATOM 0 HB THR A 9 -10.221 -6.609 -1.435 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.799 -3.870 -2.059 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.185 -6.601 -2.827 1.00 0.00 H new ATOM 0 HG22 THR A 9 -9.582 -7.261 -3.709 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.023 -5.604 -4.040 1.00 0.00 H new ATOM 101 N CYS A 10 -11.886 -7.281 -4.350 1.00 0.00 N ATOM 102 CA CYS A 10 -12.503 -8.511 -4.833 1.00 0.00 C ATOM 103 C CYS A 10 -12.313 -9.645 -3.830 1.00 0.00 C ATOM 104 O CYS A 10 -11.199 -10.130 -3.628 1.00 0.00 O ATOM 105 CB CYS A 10 -11.908 -8.907 -6.186 1.00 0.00 C ATOM 106 SG CYS A 10 -12.568 -10.465 -6.861 1.00 0.00 S ATOM 0 H CYS A 10 -11.223 -6.859 -5.000 1.00 0.00 H new ATOM 0 HA CYS A 10 -13.571 -8.330 -4.952 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -12.094 -8.106 -6.901 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.827 -8.997 -6.083 1.00 0.00 H new ATOM 111 N PHE A 11 -13.407 -10.063 -3.203 1.00 0.00 N ATOM 112 CA PHE A 11 -13.362 -11.139 -2.220 1.00 0.00 C ATOM 113 C PHE A 11 -13.224 -12.496 -2.905 1.00 0.00 C ATOM 114 O PHE A 11 -13.201 -13.536 -2.247 1.00 0.00 O ATOM 115 CB PHE A 11 -14.622 -11.120 -1.352 1.00 0.00 C ATOM 116 CG PHE A 11 -14.509 -11.960 -0.113 1.00 0.00 C ATOM 117 CD1 PHE A 11 -13.980 -11.430 1.053 1.00 0.00 C ATOM 118 CD2 PHE A 11 -14.933 -13.279 -0.113 1.00 0.00 C ATOM 119 CE1 PHE A 11 -13.875 -12.201 2.195 1.00 0.00 C ATOM 120 CE2 PHE A 11 -14.830 -14.055 1.026 1.00 0.00 C ATOM 121 CZ PHE A 11 -14.301 -13.515 2.182 1.00 0.00 C ATOM 0 H PHE A 11 -14.337 -9.673 -3.358 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.490 -10.981 -1.586 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -14.840 -10.091 -1.065 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -15.467 -11.472 -1.944 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.646 -10.403 1.069 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -15.349 -13.706 -1.014 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -13.460 -11.776 3.097 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -15.163 -15.082 1.012 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.221 -14.119 3.074 1.00 0.00 H new ATOM 131 N ARG A 12 -13.133 -12.476 -4.231 1.00 0.00 N ATOM 132 CA ARG A 12 -12.999 -13.703 -5.006 1.00 0.00 C ATOM 133 C ARG A 12 -11.537 -14.132 -5.097 1.00 0.00 C ATOM 134 O ARG A 12 -11.141 -15.150 -4.527 1.00 0.00 O ATOM 135 CB ARG A 12 -13.573 -13.510 -6.411 1.00 0.00 C ATOM 136 CG ARG A 12 -13.991 -14.808 -7.082 1.00 0.00 C ATOM 137 CD ARG A 12 -14.753 -14.547 -8.372 1.00 0.00 C ATOM 138 NE ARG A 12 -15.679 -15.632 -8.689 1.00 0.00 N ATOM 139 CZ ARG A 12 -15.315 -16.754 -9.299 1.00 0.00 C ATOM 140 NH1 ARG A 12 -14.052 -16.939 -9.656 1.00 0.00 N ATOM 141 NH2 ARG A 12 -16.216 -17.695 -9.554 1.00 0.00 N ATOM 0 H ARG A 12 -13.150 -11.623 -4.791 1.00 0.00 H new ATOM 0 HA ARG A 12 -13.559 -14.487 -4.497 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.436 -12.846 -6.354 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.829 -13.013 -7.033 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.108 -15.410 -7.295 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.614 -15.387 -6.401 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.306 -13.612 -8.284 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -14.046 -14.422 -9.192 1.00 0.00 H new ATOM 0 HE ARG A 12 -16.659 -15.522 -8.427 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.356 -16.218 -9.462 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.776 -17.802 -10.124 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -17.189 -17.557 -9.281 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.935 -18.556 -10.023 1.00 0.00 H new ATOM 155 N CYS A 13 -10.740 -13.350 -5.816 1.00 0.00 N ATOM 156 CA CYS A 13 -9.323 -13.648 -5.983 1.00 0.00 C ATOM 157 C CYS A 13 -8.478 -12.838 -5.004 1.00 0.00 C ATOM 158 O CYS A 13 -7.405 -13.273 -4.587 1.00 0.00 O ATOM 159 CB CYS A 13 -8.884 -13.354 -7.419 1.00 0.00 C ATOM 160 SG CYS A 13 -8.997 -11.596 -7.885 1.00 0.00 S ATOM 0 H CYS A 13 -11.052 -12.504 -6.293 1.00 0.00 H new ATOM 0 HA CYS A 13 -9.173 -14.707 -5.775 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.855 -13.688 -7.549 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -9.498 -13.940 -8.103 1.00 0.00 H new ATOM 165 N GLY A 14 -8.970 -11.657 -4.643 1.00 0.00 N ATOM 166 CA GLY A 14 -8.248 -10.805 -3.716 1.00 0.00 C ATOM 167 C GLY A 14 -7.479 -9.704 -4.420 1.00 0.00 C ATOM 168 O GLY A 14 -6.362 -9.367 -4.027 1.00 0.00 O ATOM 0 H GLY A 14 -9.855 -11.275 -4.976 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.952 -10.360 -3.013 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.556 -11.412 -3.133 1.00 0.00 H new ATOM 172 N LYS A 15 -8.078 -9.141 -5.464 1.00 0.00 N ATOM 173 CA LYS A 15 -7.443 -8.072 -6.225 1.00 0.00 C ATOM 174 C LYS A 15 -8.370 -6.867 -6.347 1.00 0.00 C ATOM 175 O LYS A 15 -9.548 -6.991 -6.684 1.00 0.00 O ATOM 176 CB LYS A 15 -7.054 -8.571 -7.618 1.00 0.00 C ATOM 177 CG LYS A 15 -5.897 -9.556 -7.610 1.00 0.00 C ATOM 178 CD LYS A 15 -4.560 -8.846 -7.743 1.00 0.00 C ATOM 179 CE LYS A 15 -4.151 -8.696 -9.200 1.00 0.00 C ATOM 180 NZ LYS A 15 -2.758 -8.187 -9.336 1.00 0.00 N ATOM 0 H LYS A 15 -9.003 -9.408 -5.802 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.544 -7.765 -5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.920 -9.045 -8.080 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.788 -7.716 -8.240 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.914 -10.131 -6.684 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.016 -10.266 -8.429 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.622 -7.862 -7.278 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.795 -9.405 -7.205 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.236 -9.660 -9.702 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.837 -8.014 -9.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.518 -8.099 -10.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.683 -7.256 -8.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.100 -8.851 -8.880 1.00 0.00 H new ATOM 194 N PRO A 16 -7.829 -5.672 -6.068 1.00 0.00 N ATOM 195 CA PRO A 16 -8.590 -4.421 -6.142 1.00 0.00 C ATOM 196 C PRO A 16 -8.938 -4.038 -7.576 1.00 0.00 C ATOM 197 O PRO A 16 -8.676 -4.792 -8.512 1.00 0.00 O ATOM 198 CB PRO A 16 -7.639 -3.390 -5.529 1.00 0.00 C ATOM 199 CG PRO A 16 -6.277 -3.956 -5.745 1.00 0.00 C ATOM 200 CD PRO A 16 -6.432 -5.449 -5.660 1.00 0.00 C ATOM 0 HA PRO A 16 -9.548 -4.496 -5.628 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.745 -2.418 -6.011 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.844 -3.244 -4.468 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.880 -3.659 -6.716 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.579 -3.592 -4.991 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.734 -5.963 -6.320 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -6.245 -5.815 -4.651 1.00 0.00 H new ATOM 208 N GLY A 17 -9.531 -2.859 -7.742 1.00 0.00 N ATOM 209 CA GLY A 17 -9.905 -2.397 -9.065 1.00 0.00 C ATOM 210 C GLY A 17 -11.248 -2.941 -9.512 1.00 0.00 C ATOM 211 O GLY A 17 -11.979 -2.282 -10.252 1.00 0.00 O ATOM 0 H GLY A 17 -9.759 -2.216 -6.983 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.938 -1.308 -9.070 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.139 -2.696 -9.781 1.00 0.00 H new ATOM 215 N HIS A 18 -11.573 -4.150 -9.063 1.00 0.00 N ATOM 216 CA HIS A 18 -12.837 -4.784 -9.422 1.00 0.00 C ATOM 217 C HIS A 18 -13.466 -5.466 -8.211 1.00 0.00 C ATOM 218 O HIS A 18 -12.845 -5.569 -7.153 1.00 0.00 O ATOM 219 CB HIS A 18 -12.620 -5.803 -10.541 1.00 0.00 C ATOM 220 CG HIS A 18 -11.822 -6.997 -10.117 1.00 0.00 C ATOM 221 ND1 HIS A 18 -10.444 -7.036 -10.162 1.00 0.00 N ATOM 222 CD2 HIS A 18 -12.215 -8.200 -9.636 1.00 0.00 C ATOM 223 CE1 HIS A 18 -10.025 -8.212 -9.728 1.00 0.00 C ATOM 224 NE2 HIS A 18 -11.080 -8.936 -9.403 1.00 0.00 N ATOM 0 H HIS A 18 -10.979 -4.709 -8.451 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.518 -4.009 -9.774 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.590 -6.137 -10.910 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -12.113 -5.314 -11.373 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.842 -6.276 -10.480 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -13.232 -8.521 -9.467 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -8.995 -8.527 -9.652 1.00 0.00 H new ATOM 232 N TYR A 19 -14.700 -5.928 -8.374 1.00 0.00 N ATOM 233 CA TYR A 19 -15.414 -6.597 -7.293 1.00 0.00 C ATOM 234 C TYR A 19 -15.618 -8.076 -7.608 1.00 0.00 C ATOM 235 O TYR A 19 -15.546 -8.491 -8.765 1.00 0.00 O ATOM 236 CB TYR A 19 -16.767 -5.924 -7.054 1.00 0.00 C ATOM 237 CG TYR A 19 -17.353 -5.285 -8.293 1.00 0.00 C ATOM 238 CD1 TYR A 19 -16.704 -4.233 -8.928 1.00 0.00 C ATOM 239 CD2 TYR A 19 -18.555 -5.732 -8.827 1.00 0.00 C ATOM 240 CE1 TYR A 19 -17.236 -3.646 -10.060 1.00 0.00 C ATOM 241 CE2 TYR A 19 -19.093 -5.152 -9.959 1.00 0.00 C ATOM 242 CZ TYR A 19 -18.430 -4.109 -10.572 1.00 0.00 C ATOM 243 OH TYR A 19 -18.964 -3.527 -11.699 1.00 0.00 O ATOM 0 H TYR A 19 -15.227 -5.852 -9.244 1.00 0.00 H new ATOM 0 HA TYR A 19 -14.811 -6.516 -6.389 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.469 -6.665 -6.671 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -16.653 -5.163 -6.282 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -15.769 -3.868 -8.530 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -19.078 -6.547 -8.349 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.720 -2.829 -10.541 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -20.028 -5.513 -10.362 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.807 -3.971 -11.929 1.00 0.00 H new ATOM 253 N ILE A 20 -15.873 -8.866 -6.570 1.00 0.00 N ATOM 254 CA ILE A 20 -16.090 -10.298 -6.736 1.00 0.00 C ATOM 255 C ILE A 20 -17.105 -10.577 -7.838 1.00 0.00 C ATOM 256 O ILE A 20 -17.002 -11.572 -8.556 1.00 0.00 O ATOM 257 CB ILE A 20 -16.577 -10.948 -5.427 1.00 0.00 C ATOM 258 CG1 ILE A 20 -16.999 -12.397 -5.679 1.00 0.00 C ATOM 259 CG2 ILE A 20 -17.730 -10.150 -4.837 1.00 0.00 C ATOM 260 CD1 ILE A 20 -16.790 -13.303 -4.485 1.00 0.00 C ATOM 0 H ILE A 20 -15.934 -8.539 -5.606 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.130 -10.733 -7.013 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.756 -10.947 -4.710 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -18.052 -12.417 -5.960 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -16.436 -12.789 -6.526 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -18.063 -10.622 -3.913 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -17.399 -9.133 -4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -18.555 -10.123 -5.548 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -17.111 -14.314 -4.735 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.734 -13.313 -4.216 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -17.375 -12.935 -3.642 1.00 0.00 H new ATOM 272 N LYS A 21 -18.087 -9.690 -7.969 1.00 0.00 N ATOM 273 CA LYS A 21 -19.121 -9.838 -8.986 1.00 0.00 C ATOM 274 C LYS A 21 -18.580 -9.484 -10.368 1.00 0.00 C ATOM 275 O LYS A 21 -18.993 -10.061 -11.373 1.00 0.00 O ATOM 276 CB LYS A 21 -20.322 -8.949 -8.654 1.00 0.00 C ATOM 277 CG LYS A 21 -20.507 -8.707 -7.166 1.00 0.00 C ATOM 278 CD LYS A 21 -21.902 -8.193 -6.854 1.00 0.00 C ATOM 279 CE LYS A 21 -22.937 -9.305 -6.937 1.00 0.00 C ATOM 280 NZ LYS A 21 -24.206 -8.934 -6.251 1.00 0.00 N ATOM 0 H LYS A 21 -18.188 -8.861 -7.383 1.00 0.00 H new ATOM 0 HA LYS A 21 -19.439 -10.880 -8.996 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.203 -7.990 -9.158 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.226 -9.409 -9.054 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -20.329 -9.634 -6.621 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -19.767 -7.986 -6.819 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -21.915 -7.756 -5.856 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -22.163 -7.398 -7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -23.143 -9.532 -7.983 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -22.533 -10.212 -6.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -24.885 -9.718 -6.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -24.015 -8.742 -5.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -24.606 -8.083 -6.696 1.00 0.00 H new ATOM 294 N ASN A 22 -17.652 -8.533 -10.409 1.00 0.00 N ATOM 295 CA ASN A 22 -17.054 -8.103 -11.668 1.00 0.00 C ATOM 296 C ASN A 22 -15.669 -8.717 -11.849 1.00 0.00 C ATOM 297 O ASN A 22 -14.877 -8.257 -12.672 1.00 0.00 O ATOM 298 CB ASN A 22 -16.958 -6.577 -11.716 1.00 0.00 C ATOM 299 CG ASN A 22 -16.191 -6.084 -12.928 1.00 0.00 C ATOM 300 OD1 ASN A 22 -15.135 -5.316 -12.688 1.00 0.00 O flip ATOM 301 ND2 ASN A 22 -16.545 -6.391 -14.067 1.00 0.00 N flip ATOM 0 H ASN A 22 -17.298 -8.046 -9.586 1.00 0.00 H new ATOM 0 HA ASN A 22 -17.693 -8.446 -12.482 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -17.962 -6.153 -11.727 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -16.470 -6.218 -10.810 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -17.363 -6.984 -14.204 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -16.020 -6.052 -14.873 1.00 0.00 H new ATOM 308 N CYS A 23 -15.383 -9.758 -11.075 1.00 0.00 N ATOM 309 CA CYS A 23 -14.094 -10.436 -11.149 1.00 0.00 C ATOM 310 C CYS A 23 -13.950 -11.187 -12.469 1.00 0.00 C ATOM 311 O CYS A 23 -14.864 -11.874 -12.925 1.00 0.00 O ATOM 312 CB CYS A 23 -13.938 -11.408 -9.977 1.00 0.00 C ATOM 313 SG CYS A 23 -12.327 -12.257 -9.926 1.00 0.00 S ATOM 0 H CYS A 23 -16.027 -10.151 -10.389 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.310 -9.681 -11.093 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -14.079 -10.862 -9.044 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -14.729 -12.156 -10.031 1.00 0.00 H new ATOM 318 N PRO A 24 -12.773 -11.054 -13.099 1.00 0.00 N ATOM 319 CA PRO A 24 -12.480 -11.713 -14.376 1.00 0.00 C ATOM 320 C PRO A 24 -12.342 -13.225 -14.230 1.00 0.00 C ATOM 321 O PRO A 24 -12.912 -13.989 -15.010 1.00 0.00 O ATOM 322 CB PRO A 24 -11.145 -11.093 -14.796 1.00 0.00 C ATOM 323 CG PRO A 24 -10.510 -10.660 -13.521 1.00 0.00 C ATOM 324 CD PRO A 24 -11.638 -10.252 -12.614 1.00 0.00 C ATOM 0 HA PRO A 24 -13.280 -11.569 -15.102 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.522 -11.815 -15.323 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.295 -10.249 -15.470 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.928 -11.470 -13.080 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.824 -9.829 -13.689 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -11.412 -10.467 -11.570 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -11.842 -9.184 -12.683 1.00 0.00 H new ATOM 332 N THR A 25 -11.583 -13.651 -13.225 1.00 0.00 N ATOM 333 CA THR A 25 -11.371 -15.072 -12.977 1.00 0.00 C ATOM 334 C THR A 25 -12.613 -15.883 -13.327 1.00 0.00 C ATOM 335 O THR A 25 -12.515 -17.025 -13.774 1.00 0.00 O ATOM 336 CB THR A 25 -10.997 -15.336 -11.507 1.00 0.00 C ATOM 337 OG1 THR A 25 -12.137 -15.128 -10.666 1.00 0.00 O ATOM 338 CG2 THR A 25 -9.862 -14.423 -11.065 1.00 0.00 C ATOM 0 H THR A 25 -11.105 -13.032 -12.570 1.00 0.00 H new ATOM 0 HA THR A 25 -10.545 -15.384 -13.616 1.00 0.00 H new ATOM 0 HB THR A 25 -10.666 -16.371 -11.420 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.435 -14.198 -10.743 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.615 -14.628 -10.023 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.986 -14.604 -11.688 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.171 -13.383 -11.167 1.00 0.00 H new ATOM 346 N ASN A 26 -13.782 -15.284 -13.122 1.00 0.00 N ATOM 347 CA ASN A 26 -15.045 -15.952 -13.416 1.00 0.00 C ATOM 348 C ASN A 26 -15.092 -16.409 -14.871 1.00 0.00 C ATOM 349 O ASN A 26 -14.891 -15.615 -15.789 1.00 0.00 O ATOM 350 CB ASN A 26 -16.220 -15.017 -13.125 1.00 0.00 C ATOM 351 CG ASN A 26 -16.445 -14.816 -11.638 1.00 0.00 C ATOM 352 OD1 ASN A 26 -17.065 -15.648 -10.975 1.00 0.00 O ATOM 353 ND2 ASN A 26 -15.941 -13.708 -11.109 1.00 0.00 N ATOM 0 H ASN A 26 -13.881 -14.338 -12.754 1.00 0.00 H new ATOM 0 HA ASN A 26 -15.121 -16.830 -12.775 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -16.037 -14.051 -13.596 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -17.125 -15.425 -13.575 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -16.060 -13.518 -10.114 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -15.434 -13.047 -11.697 1.00 0.00 H new ATOM 360 N GLY A 27 -15.361 -17.696 -15.073 1.00 0.00 N ATOM 361 CA GLY A 27 -15.431 -18.237 -16.418 1.00 0.00 C ATOM 362 C GLY A 27 -14.130 -18.883 -16.851 1.00 0.00 C ATOM 363 O GLY A 27 -14.134 -19.874 -17.581 1.00 0.00 O ATOM 0 H GLY A 27 -15.532 -18.373 -14.329 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -16.233 -18.973 -16.469 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.686 -17.439 -17.115 1.00 0.00 H new ATOM 367 N ASP A 28 -13.013 -18.319 -16.403 1.00 0.00 N ATOM 368 CA ASP A 28 -11.699 -18.846 -16.750 1.00 0.00 C ATOM 369 C ASP A 28 -11.542 -20.282 -16.259 1.00 0.00 C ATOM 370 O ASP A 28 -11.437 -20.531 -15.058 1.00 0.00 O ATOM 371 CB ASP A 28 -10.599 -17.967 -16.151 1.00 0.00 C ATOM 372 CG ASP A 28 -10.264 -16.780 -17.033 1.00 0.00 C ATOM 373 OD1 ASP A 28 -11.162 -16.311 -17.763 1.00 0.00 O ATOM 374 OD2 ASP A 28 -9.103 -16.320 -16.993 1.00 0.00 O ATOM 0 H ASP A 28 -12.992 -17.497 -15.799 1.00 0.00 H new ATOM 0 HA ASP A 28 -11.608 -18.840 -17.836 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.916 -17.610 -15.171 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.702 -18.567 -15.997 1.00 0.00 H new ATOM 379 N LYS A 29 -11.529 -21.224 -17.196 1.00 0.00 N ATOM 380 CA LYS A 29 -11.385 -22.636 -16.860 1.00 0.00 C ATOM 381 C LYS A 29 -10.116 -22.876 -16.049 1.00 0.00 C ATOM 382 O LYS A 29 -10.169 -23.395 -14.935 1.00 0.00 O ATOM 383 CB LYS A 29 -11.357 -23.483 -18.134 1.00 0.00 C ATOM 384 CG LYS A 29 -12.728 -23.699 -18.752 1.00 0.00 C ATOM 385 CD LYS A 29 -12.655 -24.606 -19.968 1.00 0.00 C ATOM 386 CE LYS A 29 -12.348 -23.819 -21.233 1.00 0.00 C ATOM 387 NZ LYS A 29 -10.988 -23.215 -21.194 1.00 0.00 N ATOM 0 H LYS A 29 -11.616 -21.035 -18.195 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.242 -22.929 -16.254 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.710 -23.001 -18.866 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.914 -24.452 -17.906 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.397 -24.136 -18.011 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.154 -22.738 -19.039 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.886 -25.363 -19.813 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.601 -25.133 -20.087 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.429 -24.477 -22.098 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.091 -23.032 -21.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -10.626 -23.112 -22.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.036 -22.280 -20.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.350 -23.831 -20.650 1.00 0.00 H new ATOM 401 N ASN A 30 -8.976 -22.492 -16.615 1.00 0.00 N ATOM 402 CA ASN A 30 -7.693 -22.665 -15.943 1.00 0.00 C ATOM 403 C ASN A 30 -7.823 -22.401 -14.446 1.00 0.00 C ATOM 404 O ASN A 30 -7.347 -23.183 -13.623 1.00 0.00 O ATOM 405 CB ASN A 30 -6.646 -21.728 -16.548 1.00 0.00 C ATOM 406 CG ASN A 30 -5.233 -22.246 -16.367 1.00 0.00 C ATOM 407 OD1 ASN A 30 -4.557 -22.591 -17.337 1.00 0.00 O ATOM 408 ND2 ASN A 30 -4.779 -22.304 -15.121 1.00 0.00 N ATOM 0 H ASN A 30 -8.915 -22.059 -17.537 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.373 -23.697 -16.086 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.849 -21.599 -17.611 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.732 -20.745 -16.085 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.835 -22.645 -14.937 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.374 -22.008 -14.347 1.00 0.00 H new ATOM 415 N PHE A 31 -8.471 -21.293 -14.100 1.00 0.00 N ATOM 416 CA PHE A 31 -8.664 -20.925 -12.702 1.00 0.00 C ATOM 417 C PHE A 31 -9.824 -21.705 -12.089 1.00 0.00 C ATOM 418 O PHE A 31 -10.968 -21.575 -12.522 1.00 0.00 O ATOM 419 CB PHE A 31 -8.923 -19.422 -12.580 1.00 0.00 C ATOM 420 CG PHE A 31 -8.718 -18.890 -11.191 1.00 0.00 C ATOM 421 CD1 PHE A 31 -7.441 -18.708 -10.686 1.00 0.00 C ATOM 422 CD2 PHE A 31 -9.803 -18.571 -10.389 1.00 0.00 C ATOM 423 CE1 PHE A 31 -7.248 -18.217 -9.408 1.00 0.00 C ATOM 424 CE2 PHE A 31 -9.617 -18.080 -9.111 1.00 0.00 C ATOM 425 CZ PHE A 31 -8.338 -17.904 -8.619 1.00 0.00 C ATOM 0 H PHE A 31 -8.871 -20.635 -14.768 1.00 0.00 H new ATOM 0 HA PHE A 31 -7.754 -21.175 -12.157 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -8.262 -18.891 -13.265 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.945 -19.211 -12.894 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -6.586 -18.953 -11.298 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -10.805 -18.708 -10.768 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -6.247 -18.078 -9.027 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -10.471 -17.834 -8.497 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.191 -17.522 -7.619 1.00 0.00 H new ATOM 435 N GLU A 32 -9.517 -22.514 -11.080 1.00 0.00 N ATOM 436 CA GLU A 32 -10.534 -23.316 -10.409 1.00 0.00 C ATOM 437 C GLU A 32 -10.340 -23.284 -8.896 1.00 0.00 C ATOM 438 O GLU A 32 -9.213 -23.243 -8.404 1.00 0.00 O ATOM 439 CB GLU A 32 -10.488 -24.761 -10.910 1.00 0.00 C ATOM 440 CG GLU A 32 -9.271 -25.533 -10.429 1.00 0.00 C ATOM 441 CD GLU A 32 -7.967 -24.837 -10.769 1.00 0.00 C ATOM 442 OE1 GLU A 32 -7.533 -24.925 -11.936 1.00 0.00 O ATOM 443 OE2 GLU A 32 -7.381 -24.204 -9.866 1.00 0.00 O ATOM 0 H GLU A 32 -8.574 -22.632 -10.710 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.510 -22.889 -10.642 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.389 -25.279 -10.583 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.499 -24.759 -12.000 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -9.335 -25.669 -9.349 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.276 -26.527 -10.877 1.00 0.00 H new ATOM 450 N SER A 33 -11.449 -23.301 -8.163 1.00 0.00 N ATOM 451 CA SER A 33 -11.403 -23.269 -6.706 1.00 0.00 C ATOM 452 C SER A 33 -10.783 -24.550 -6.154 1.00 0.00 C ATOM 453 O SER A 33 -10.826 -25.599 -6.795 1.00 0.00 O ATOM 454 CB SER A 33 -12.809 -23.082 -6.134 1.00 0.00 C ATOM 455 OG SER A 33 -13.567 -24.274 -6.243 1.00 0.00 O ATOM 0 H SER A 33 -12.390 -23.337 -8.554 1.00 0.00 H new ATOM 0 HA SER A 33 -10.781 -22.426 -6.405 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.743 -22.784 -5.088 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.316 -22.275 -6.663 1.00 0.00 H new ATOM 0 HG SER A 33 -14.461 -24.129 -5.869 1.00 0.00 H new ATOM 461 N GLY A 34 -10.207 -24.454 -4.959 1.00 0.00 N ATOM 462 CA GLY A 34 -9.587 -25.611 -4.341 1.00 0.00 C ATOM 463 C GLY A 34 -8.548 -25.228 -3.306 1.00 0.00 C ATOM 464 O GLY A 34 -8.796 -24.411 -2.419 1.00 0.00 O ATOM 0 H GLY A 34 -10.159 -23.596 -4.409 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.356 -26.223 -3.870 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.119 -26.224 -5.112 1.00 0.00 H new ATOM 468 N PRO A 35 -7.353 -25.827 -3.411 1.00 0.00 N ATOM 469 CA PRO A 35 -6.249 -25.560 -2.485 1.00 0.00 C ATOM 470 C PRO A 35 -5.671 -24.159 -2.659 1.00 0.00 C ATOM 471 O PRO A 35 -5.810 -23.548 -3.719 1.00 0.00 O ATOM 472 CB PRO A 35 -5.207 -26.617 -2.859 1.00 0.00 C ATOM 473 CG PRO A 35 -5.498 -26.948 -4.282 1.00 0.00 C ATOM 474 CD PRO A 35 -6.987 -26.811 -4.444 1.00 0.00 C ATOM 0 HA PRO A 35 -6.571 -25.608 -1.445 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -4.194 -26.233 -2.741 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -5.290 -27.498 -2.222 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.969 -26.274 -4.955 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -5.171 -27.960 -4.522 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.252 -26.463 -5.442 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -7.497 -27.762 -4.292 1.00 0.00 H new ATOM 482 N ARG A 36 -5.024 -23.656 -1.613 1.00 0.00 N ATOM 483 CA ARG A 36 -4.426 -22.327 -1.651 1.00 0.00 C ATOM 484 C ARG A 36 -2.956 -22.403 -2.051 1.00 0.00 C ATOM 485 O ARG A 36 -2.132 -22.956 -1.322 1.00 0.00 O ATOM 486 CB ARG A 36 -4.560 -21.645 -0.288 1.00 0.00 C ATOM 487 CG ARG A 36 -5.918 -21.001 -0.060 1.00 0.00 C ATOM 488 CD ARG A 36 -6.907 -21.985 0.544 1.00 0.00 C ATOM 489 NE ARG A 36 -6.838 -22.005 2.003 1.00 0.00 N ATOM 490 CZ ARG A 36 -7.240 -23.031 2.744 1.00 0.00 C ATOM 491 NH1 ARG A 36 -7.736 -24.116 2.165 1.00 0.00 N ATOM 492 NH2 ARG A 36 -7.145 -22.974 4.066 1.00 0.00 N ATOM 0 H ARG A 36 -4.900 -24.149 -0.729 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.958 -21.738 -2.398 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.380 -22.380 0.496 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.786 -20.883 -0.195 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.808 -20.142 0.602 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.308 -20.627 -1.007 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.918 -21.720 0.233 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.706 -22.984 0.158 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.460 -21.186 2.479 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.809 -24.164 1.149 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.044 -24.903 2.736 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.763 -22.141 4.514 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.454 -23.763 4.634 1.00 0.00 H new ATOM 506 N ILE A 37 -2.635 -21.845 -3.214 1.00 0.00 N ATOM 507 CA ILE A 37 -1.265 -21.850 -3.710 1.00 0.00 C ATOM 508 C ILE A 37 -0.367 -20.964 -2.853 1.00 0.00 C ATOM 509 O ILE A 37 -0.590 -19.758 -2.741 1.00 0.00 O ATOM 510 CB ILE A 37 -1.194 -21.372 -5.173 1.00 0.00 C ATOM 511 CG1 ILE A 37 0.253 -21.391 -5.669 1.00 0.00 C ATOM 512 CG2 ILE A 37 -1.786 -19.976 -5.303 1.00 0.00 C ATOM 513 CD1 ILE A 37 0.747 -22.772 -6.040 1.00 0.00 C ATOM 0 H ILE A 37 -3.305 -21.384 -3.830 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.913 -22.880 -3.656 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.779 -22.053 -5.791 1.00 0.00 H new ATOM 0 HG12 ILE A 37 0.339 -20.738 -6.537 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.899 -20.979 -4.894 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.729 -19.652 -6.342 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.828 -19.992 -4.985 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.225 -19.283 -4.675 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.780 -22.709 -6.383 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.693 -23.424 -5.168 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.124 -23.179 -6.837 1.00 0.00 H new ATOM 525 N LYS A 38 0.652 -21.569 -2.252 1.00 0.00 N ATOM 526 CA LYS A 38 1.587 -20.835 -1.407 1.00 0.00 C ATOM 527 C LYS A 38 2.434 -19.876 -2.238 1.00 0.00 C ATOM 528 O LYS A 38 3.049 -20.273 -3.227 1.00 0.00 O ATOM 529 CB LYS A 38 2.494 -21.809 -0.651 1.00 0.00 C ATOM 530 CG LYS A 38 3.167 -22.834 -1.547 1.00 0.00 C ATOM 531 CD LYS A 38 4.391 -23.440 -0.880 1.00 0.00 C ATOM 532 CE LYS A 38 5.309 -24.102 -1.896 1.00 0.00 C ATOM 533 NZ LYS A 38 6.276 -23.134 -2.484 1.00 0.00 N ATOM 0 H LYS A 38 0.851 -22.566 -2.334 1.00 0.00 H new ATOM 0 HA LYS A 38 1.010 -20.253 -0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.260 -21.242 -0.122 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.905 -22.330 0.104 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.458 -23.624 -1.794 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.459 -22.362 -2.485 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.938 -22.663 -0.346 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.076 -24.175 -0.139 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.855 -24.915 -1.417 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.710 -24.546 -2.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.319 -23.268 -3.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.967 -22.163 -2.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.219 -23.293 -2.075 1.00 0.00 H new ATOM 547 N LYS A 39 2.461 -18.613 -1.828 1.00 0.00 N ATOM 548 CA LYS A 39 3.235 -17.597 -2.532 1.00 0.00 C ATOM 549 C LYS A 39 4.727 -17.901 -2.459 1.00 0.00 C ATOM 550 O LYS A 39 5.344 -17.782 -1.401 1.00 0.00 O ATOM 551 CB LYS A 39 2.956 -16.213 -1.940 1.00 0.00 C ATOM 552 CG LYS A 39 2.965 -16.188 -0.421 1.00 0.00 C ATOM 553 CD LYS A 39 3.059 -14.769 0.113 1.00 0.00 C ATOM 554 CE LYS A 39 3.756 -14.727 1.464 1.00 0.00 C ATOM 555 NZ LYS A 39 5.236 -14.648 1.323 1.00 0.00 N ATOM 0 H LYS A 39 1.956 -18.268 -1.012 1.00 0.00 H new ATOM 0 HA LYS A 39 2.932 -17.606 -3.579 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.703 -15.511 -2.311 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.986 -15.864 -2.295 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.058 -16.661 -0.043 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.807 -16.773 -0.052 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.603 -14.147 -0.598 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.058 -14.347 0.205 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.399 -13.867 2.030 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.493 -15.617 2.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.674 -14.621 2.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.580 -15.481 0.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.489 -13.786 0.799 1.00 0.00 H new ATOM 569 N SER A 40 5.303 -18.294 -3.592 1.00 0.00 N ATOM 570 CA SER A 40 6.723 -18.618 -3.655 1.00 0.00 C ATOM 571 C SER A 40 7.491 -17.546 -4.422 1.00 0.00 C ATOM 572 O SER A 40 6.902 -16.735 -5.139 1.00 0.00 O ATOM 573 CB SER A 40 6.928 -19.981 -4.318 1.00 0.00 C ATOM 574 OG SER A 40 6.663 -19.916 -5.709 1.00 0.00 O ATOM 0 H SER A 40 4.808 -18.395 -4.478 1.00 0.00 H new ATOM 0 HA SER A 40 7.107 -18.657 -2.636 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.952 -20.318 -4.155 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.272 -20.717 -3.854 1.00 0.00 H new ATOM 0 HG SER A 40 6.803 -20.799 -6.110 1.00 0.00 H new ATOM 580 N THR A 41 8.811 -17.547 -4.268 1.00 0.00 N ATOM 581 CA THR A 41 9.661 -16.575 -4.944 1.00 0.00 C ATOM 582 C THR A 41 9.555 -16.712 -6.459 1.00 0.00 C ATOM 583 O THR A 41 9.549 -17.820 -6.993 1.00 0.00 O ATOM 584 CB THR A 41 11.136 -16.733 -4.528 1.00 0.00 C ATOM 585 OG1 THR A 41 11.247 -16.716 -3.101 1.00 0.00 O ATOM 586 CG2 THR A 41 11.988 -15.622 -5.122 1.00 0.00 C ATOM 0 H THR A 41 9.315 -18.211 -3.680 1.00 0.00 H new ATOM 0 HA THR A 41 9.311 -15.587 -4.645 1.00 0.00 H new ATOM 0 HB THR A 41 11.497 -17.688 -4.908 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.187 -16.819 -2.845 1.00 0.00 H new ATOM 0 HG21 THR A 41 13.025 -15.755 -4.814 1.00 0.00 H new ATOM 0 HG22 THR A 41 11.925 -15.657 -6.210 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.625 -14.657 -4.768 1.00 0.00 H new ATOM 594 N GLY A 42 9.471 -15.576 -7.146 1.00 0.00 N ATOM 595 CA GLY A 42 9.366 -15.592 -8.593 1.00 0.00 C ATOM 596 C GLY A 42 10.148 -16.730 -9.219 1.00 0.00 C ATOM 597 O GLY A 42 11.379 -16.724 -9.211 1.00 0.00 O ATOM 0 H GLY A 42 9.474 -14.646 -6.726 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.317 -15.677 -8.877 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.728 -14.644 -8.991 1.00 0.00 H new ATOM 601 N ILE A 43 9.432 -17.709 -9.762 1.00 0.00 N ATOM 602 CA ILE A 43 10.067 -18.859 -10.394 1.00 0.00 C ATOM 603 C ILE A 43 10.422 -18.561 -11.847 1.00 0.00 C ATOM 604 O ILE A 43 9.769 -17.764 -12.520 1.00 0.00 O ATOM 605 CB ILE A 43 9.158 -20.101 -10.344 1.00 0.00 C ATOM 606 CG1 ILE A 43 7.851 -19.835 -11.094 1.00 0.00 C ATOM 607 CG2 ILE A 43 8.877 -20.494 -8.901 1.00 0.00 C ATOM 608 CD1 ILE A 43 7.911 -20.199 -12.561 1.00 0.00 C ATOM 0 H ILE A 43 8.412 -17.729 -9.777 1.00 0.00 H new ATOM 0 HA ILE A 43 10.980 -19.063 -9.834 1.00 0.00 H new ATOM 0 HB ILE A 43 9.672 -20.929 -10.832 1.00 0.00 H new ATOM 0 HG12 ILE A 43 7.048 -20.400 -10.620 1.00 0.00 H new ATOM 0 HG13 ILE A 43 7.596 -18.779 -11.000 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.233 -21.373 -8.882 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.816 -20.721 -8.396 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.380 -19.670 -8.390 1.00 0.00 H new ATOM 0 HD11 ILE A 43 6.950 -19.984 -13.029 1.00 0.00 H new ATOM 0 HD12 ILE A 43 8.691 -19.615 -13.049 1.00 0.00 H new ATOM 0 HD13 ILE A 43 8.135 -21.261 -12.664 1.00 0.00 H new ATOM 620 N PRO A 44 11.481 -19.217 -12.343 1.00 0.00 N ATOM 621 CA PRO A 44 11.946 -19.041 -13.722 1.00 0.00 C ATOM 622 C PRO A 44 10.978 -19.633 -14.740 1.00 0.00 C ATOM 623 O PRO A 44 10.590 -18.969 -15.701 1.00 0.00 O ATOM 624 CB PRO A 44 13.277 -19.796 -13.747 1.00 0.00 C ATOM 625 CG PRO A 44 13.156 -20.813 -12.664 1.00 0.00 C ATOM 626 CD PRO A 44 12.306 -20.182 -11.597 1.00 0.00 C ATOM 0 HA PRO A 44 12.033 -17.988 -13.992 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.447 -20.267 -14.715 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.117 -19.124 -13.568 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.697 -21.728 -13.038 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.136 -21.085 -12.272 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.693 -20.922 -11.083 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.914 -19.689 -10.839 1.00 0.00 H new ATOM 634 N ARG A 45 10.593 -20.887 -14.524 1.00 0.00 N ATOM 635 CA ARG A 45 9.670 -21.569 -15.423 1.00 0.00 C ATOM 636 C ARG A 45 8.956 -22.710 -14.707 1.00 0.00 C ATOM 637 O ARG A 45 9.589 -23.542 -14.057 1.00 0.00 O ATOM 638 CB ARG A 45 10.420 -22.108 -16.643 1.00 0.00 C ATOM 639 CG ARG A 45 11.583 -23.019 -16.290 1.00 0.00 C ATOM 640 CD ARG A 45 12.259 -23.569 -17.536 1.00 0.00 C ATOM 641 NE ARG A 45 13.587 -24.105 -17.248 1.00 0.00 N ATOM 642 CZ ARG A 45 14.677 -23.353 -17.152 1.00 0.00 C ATOM 643 NH1 ARG A 45 14.598 -22.040 -17.319 1.00 0.00 N ATOM 644 NH2 ARG A 45 15.850 -23.914 -16.887 1.00 0.00 N ATOM 0 H ARG A 45 10.906 -21.451 -13.734 1.00 0.00 H new ATOM 0 HA ARG A 45 8.923 -20.847 -15.753 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.721 -22.654 -17.276 1.00 0.00 H new ATOM 0 HB3 ARG A 45 10.793 -21.268 -17.230 1.00 0.00 H new ATOM 0 HG2 ARG A 45 12.310 -22.468 -15.694 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.226 -23.844 -15.674 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.638 -24.353 -17.969 1.00 0.00 H new ATOM 0 HD3 ARG A 45 12.341 -22.779 -18.282 1.00 0.00 H new ATOM 0 HE ARG A 45 13.682 -25.112 -17.113 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.698 -21.605 -17.522 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.437 -21.465 -17.245 1.00 0.00 H new ATOM 0 HH21 ARG A 45 15.915 -24.924 -16.757 1.00 0.00 H new ATOM 0 HH22 ARG A 45 16.687 -23.336 -16.813 1.00 0.00 H new ATOM 658 N SER A 46 7.633 -22.743 -14.829 1.00 0.00 N ATOM 659 CA SER A 46 6.831 -23.780 -14.189 1.00 0.00 C ATOM 660 C SER A 46 6.592 -24.947 -15.143 1.00 0.00 C ATOM 661 O SER A 46 6.861 -26.101 -14.809 1.00 0.00 O ATOM 662 CB SER A 46 5.493 -23.205 -13.723 1.00 0.00 C ATOM 663 OG SER A 46 4.794 -22.602 -14.798 1.00 0.00 O ATOM 0 H SER A 46 7.093 -22.064 -15.365 1.00 0.00 H new ATOM 0 HA SER A 46 7.381 -24.148 -13.323 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.884 -23.998 -13.289 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.664 -22.469 -12.938 1.00 0.00 H new ATOM 0 HG SER A 46 3.941 -22.244 -14.474 1.00 0.00 H new ATOM 669 N PHE A 47 6.083 -24.637 -16.331 1.00 0.00 N ATOM 670 CA PHE A 47 5.806 -25.659 -17.333 1.00 0.00 C ATOM 671 C PHE A 47 7.059 -26.473 -17.642 1.00 0.00 C ATOM 672 O PHE A 47 8.178 -26.031 -17.384 1.00 0.00 O ATOM 673 CB PHE A 47 5.274 -25.015 -18.615 1.00 0.00 C ATOM 674 CG PHE A 47 4.368 -25.914 -19.407 1.00 0.00 C ATOM 675 CD1 PHE A 47 3.196 -26.401 -18.852 1.00 0.00 C ATOM 676 CD2 PHE A 47 4.689 -26.272 -20.706 1.00 0.00 C ATOM 677 CE1 PHE A 47 2.361 -27.229 -19.578 1.00 0.00 C ATOM 678 CE2 PHE A 47 3.858 -27.100 -21.438 1.00 0.00 C ATOM 679 CZ PHE A 47 2.692 -27.578 -20.873 1.00 0.00 C ATOM 0 H PHE A 47 5.854 -23.687 -16.623 1.00 0.00 H new ATOM 0 HA PHE A 47 5.048 -26.331 -16.930 1.00 0.00 H new ATOM 0 HB2 PHE A 47 4.734 -24.104 -18.357 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.117 -24.720 -19.240 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.932 -26.131 -17.840 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.599 -25.900 -21.152 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.451 -27.603 -19.133 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.120 -27.372 -22.450 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.040 -28.224 -21.443 1.00 0.00 H new ATOM 689 N MET A 48 6.861 -27.666 -18.194 1.00 0.00 N ATOM 690 CA MET A 48 7.975 -28.542 -18.538 1.00 0.00 C ATOM 691 C MET A 48 7.915 -28.946 -20.008 1.00 0.00 C ATOM 692 O MET A 48 6.877 -28.812 -20.656 1.00 0.00 O ATOM 693 CB MET A 48 7.963 -29.790 -17.653 1.00 0.00 C ATOM 694 CG MET A 48 6.813 -30.737 -17.954 1.00 0.00 C ATOM 695 SD MET A 48 7.010 -32.343 -17.159 1.00 0.00 S ATOM 696 CE MET A 48 5.656 -32.309 -15.987 1.00 0.00 C ATOM 0 H MET A 48 5.941 -28.048 -18.412 1.00 0.00 H new ATOM 0 HA MET A 48 8.902 -27.994 -18.368 1.00 0.00 H new ATOM 0 HB2 MET A 48 8.905 -30.324 -17.779 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.907 -29.484 -16.608 1.00 0.00 H new ATOM 0 HG2 MET A 48 5.878 -30.284 -17.623 1.00 0.00 H new ATOM 0 HG3 MET A 48 6.735 -30.877 -19.032 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.645 -33.238 -15.417 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.785 -31.467 -15.307 1.00 0.00 H new ATOM 0 HE3 MET A 48 4.713 -32.201 -16.523 1.00 0.00 H new ATOM 706 N MET A 49 9.034 -29.442 -20.527 1.00 0.00 N ATOM 707 CA MET A 49 9.106 -29.866 -21.920 1.00 0.00 C ATOM 708 C MET A 49 8.520 -31.263 -22.094 1.00 0.00 C ATOM 709 O MET A 49 8.968 -32.217 -21.459 1.00 0.00 O ATOM 710 CB MET A 49 10.556 -29.845 -22.407 1.00 0.00 C ATOM 711 CG MET A 49 11.139 -28.445 -22.520 1.00 0.00 C ATOM 712 SD MET A 49 12.392 -28.316 -23.811 1.00 0.00 S ATOM 713 CE MET A 49 11.458 -28.850 -25.243 1.00 0.00 C ATOM 0 H MET A 49 9.902 -29.560 -20.004 1.00 0.00 H new ATOM 0 HA MET A 49 8.519 -29.168 -22.517 1.00 0.00 H new ATOM 0 HB2 MET A 49 11.169 -30.431 -21.722 1.00 0.00 H new ATOM 0 HB3 MET A 49 10.611 -30.332 -23.380 1.00 0.00 H new ATOM 0 HG2 MET A 49 10.336 -27.737 -22.726 1.00 0.00 H new ATOM 0 HG3 MET A 49 11.578 -28.160 -21.564 1.00 0.00 H new ATOM 0 HE1 MET A 49 11.682 -28.198 -26.087 1.00 0.00 H new ATOM 0 HE2 MET A 49 11.731 -29.875 -25.494 1.00 0.00 H new ATOM 0 HE3 MET A 49 10.392 -28.802 -25.021 1.00 0.00 H new ATOM 723 N GLU A 50 7.516 -31.376 -22.958 1.00 0.00 N ATOM 724 CA GLU A 50 6.868 -32.657 -23.213 1.00 0.00 C ATOM 725 C GLU A 50 7.560 -33.399 -24.353 1.00 0.00 C ATOM 726 O GLU A 50 7.000 -34.329 -24.934 1.00 0.00 O ATOM 727 CB GLU A 50 5.390 -32.449 -23.549 1.00 0.00 C ATOM 728 CG GLU A 50 4.581 -31.869 -22.401 1.00 0.00 C ATOM 729 CD GLU A 50 4.557 -30.353 -22.412 1.00 0.00 C ATOM 730 OE1 GLU A 50 4.747 -29.764 -23.496 1.00 0.00 O ATOM 731 OE2 GLU A 50 4.347 -29.756 -21.335 1.00 0.00 O ATOM 0 H GLU A 50 7.134 -30.596 -23.493 1.00 0.00 H new ATOM 0 HA GLU A 50 6.946 -33.260 -22.309 1.00 0.00 H new ATOM 0 HB2 GLU A 50 5.312 -31.785 -24.410 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.955 -33.404 -23.843 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.559 -32.245 -22.455 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.999 -32.215 -21.456 1.00 0.00 H new ATOM 738 N VAL A 51 8.782 -32.980 -24.668 1.00 0.00 N ATOM 739 CA VAL A 51 9.552 -33.604 -25.738 1.00 0.00 C ATOM 740 C VAL A 51 11.046 -33.563 -25.436 1.00 0.00 C ATOM 741 O VAL A 51 11.623 -32.492 -25.249 1.00 0.00 O ATOM 742 CB VAL A 51 9.293 -32.916 -27.091 1.00 0.00 C ATOM 743 CG1 VAL A 51 9.596 -31.428 -26.999 1.00 0.00 C ATOM 744 CG2 VAL A 51 10.119 -33.570 -28.188 1.00 0.00 C ATOM 0 H VAL A 51 9.260 -32.211 -24.198 1.00 0.00 H new ATOM 0 HA VAL A 51 9.225 -34.642 -25.799 1.00 0.00 H new ATOM 0 HB VAL A 51 8.239 -33.033 -27.343 1.00 0.00 H new ATOM 0 HG11 VAL A 51 9.407 -30.958 -27.964 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.957 -30.973 -26.243 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.641 -31.286 -26.724 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.923 -33.071 -29.137 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.178 -33.486 -27.945 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.848 -34.623 -28.269 1.00 0.00 H new ATOM 754 N LYS A 52 11.667 -34.736 -25.391 1.00 0.00 N ATOM 755 CA LYS A 52 13.095 -34.836 -25.114 1.00 0.00 C ATOM 756 C LYS A 52 13.789 -35.723 -26.143 1.00 0.00 C ATOM 757 O LYS A 52 13.569 -36.934 -26.181 1.00 0.00 O ATOM 758 CB LYS A 52 13.325 -35.393 -23.707 1.00 0.00 C ATOM 759 CG LYS A 52 12.894 -34.446 -22.600 1.00 0.00 C ATOM 760 CD LYS A 52 13.978 -33.429 -22.283 1.00 0.00 C ATOM 761 CE LYS A 52 13.516 -32.432 -21.231 1.00 0.00 C ATOM 762 NZ LYS A 52 14.511 -31.345 -21.023 1.00 0.00 N ATOM 0 H LYS A 52 11.204 -35.632 -25.543 1.00 0.00 H new ATOM 0 HA LYS A 52 13.522 -33.835 -25.176 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.780 -36.332 -23.603 1.00 0.00 H new ATOM 0 HB3 LYS A 52 14.383 -35.623 -23.585 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.983 -33.927 -22.898 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.656 -35.018 -21.703 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.871 -33.945 -21.930 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.257 -32.897 -23.193 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.563 -31.999 -21.535 1.00 0.00 H new ATOM 0 HE3 LYS A 52 13.344 -32.952 -20.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.159 -30.686 -20.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.413 -31.756 -20.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.657 -30.832 -21.916 1.00 0.00 H new ATOM 776 N ASP A 53 14.626 -35.113 -26.974 1.00 0.00 N ATOM 777 CA ASP A 53 15.354 -35.848 -28.002 1.00 0.00 C ATOM 778 C ASP A 53 16.716 -35.213 -28.263 1.00 0.00 C ATOM 779 O ASP A 53 16.822 -34.109 -28.797 1.00 0.00 O ATOM 780 CB ASP A 53 14.542 -35.894 -29.298 1.00 0.00 C ATOM 781 CG ASP A 53 13.077 -36.194 -29.053 1.00 0.00 C ATOM 782 OD1 ASP A 53 12.754 -37.361 -28.746 1.00 0.00 O ATOM 783 OD2 ASP A 53 12.252 -35.263 -29.168 1.00 0.00 O ATOM 0 H ASP A 53 14.818 -34.111 -26.956 1.00 0.00 H new ATOM 0 HA ASP A 53 15.510 -36.866 -27.644 1.00 0.00 H new ATOM 0 HB2 ASP A 53 14.633 -34.938 -29.814 1.00 0.00 H new ATOM 0 HB3 ASP A 53 14.960 -36.654 -29.958 1.00 0.00 H new ATOM 788 N PRO A 54 17.785 -35.925 -27.876 1.00 0.00 N ATOM 789 CA PRO A 54 19.160 -35.451 -28.057 1.00 0.00 C ATOM 790 C PRO A 54 19.580 -35.434 -29.523 1.00 0.00 C ATOM 791 O PRO A 54 20.210 -34.486 -29.987 1.00 0.00 O ATOM 792 CB PRO A 54 19.993 -36.469 -27.274 1.00 0.00 C ATOM 793 CG PRO A 54 19.165 -37.708 -27.264 1.00 0.00 C ATOM 794 CD PRO A 54 17.733 -37.249 -27.232 1.00 0.00 C ATOM 0 HA PRO A 54 19.285 -34.424 -27.714 1.00 0.00 H new ATOM 0 HB2 PRO A 54 20.958 -36.641 -27.751 1.00 0.00 H new ATOM 0 HB3 PRO A 54 20.196 -36.120 -26.261 1.00 0.00 H new ATOM 0 HG2 PRO A 54 19.361 -38.315 -28.148 1.00 0.00 H new ATOM 0 HG3 PRO A 54 19.397 -38.325 -26.396 1.00 0.00 H new ATOM 0 HD2 PRO A 54 17.079 -37.934 -27.773 1.00 0.00 H new ATOM 0 HD3 PRO A 54 17.354 -37.185 -26.212 1.00 0.00 H new ATOM 802 N ASN A 55 19.224 -36.491 -30.247 1.00 0.00 N ATOM 803 CA ASN A 55 19.564 -36.597 -31.661 1.00 0.00 C ATOM 804 C ASN A 55 18.318 -36.465 -32.531 1.00 0.00 C ATOM 805 O ASN A 55 17.456 -37.341 -32.486 1.00 0.00 O ATOM 806 CB ASN A 55 20.256 -37.933 -31.941 1.00 0.00 C ATOM 807 CG ASN A 55 21.685 -37.962 -31.433 1.00 0.00 C ATOM 808 OD1 ASN A 55 22.319 -36.919 -31.270 1.00 0.00 O ATOM 809 ND2 ASN A 55 22.198 -39.160 -31.180 1.00 0.00 N ATOM 0 H ASN A 55 18.701 -37.285 -29.878 1.00 0.00 H new ATOM 0 HA ASN A 55 20.246 -35.783 -31.908 1.00 0.00 H new ATOM 0 HB2 ASN A 55 19.690 -38.738 -31.471 1.00 0.00 H new ATOM 0 HB3 ASN A 55 20.251 -38.124 -33.014 1.00 0.00 H new ATOM 0 HD21 ASN A 55 23.155 -39.243 -30.836 1.00 0.00 H new ATOM 0 HD22 ASN A 55 21.636 -39.998 -31.330 1.00 0.00 H new TER 816 ASN A 55 HETATM 817 ZN ZN A 181 -11.008 -10.880 -8.614 1.00 0.00 ZN