USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 614 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 16 THR OG1 : rot -73:sc= 0.262 USER MOD Set 1.2: A 18 THR OG1 : rot -66:sc= 2.42 USER MOD Set 1.3: A 20 THR OG1 : rot 82:sc= 1.12 USER MOD Set 1.4: A 67 ASN : amide:sc= 0.0342 K(o=3.8,f=-5!) USER MOD Set 2.1: A 37 THR OG1 : rot 141:sc= 2.76 USER MOD Set 2.2: A 40 THR OG1 : rot -67:sc= 1.74 USER MOD Set 2.3: A 41 ASN : amide:sc= -2.51! C(o=2!,f=-0.12!) USER MOD Set 3.1: A 23 GLN : amide:sc= -0.61 K(o=-7.5,f=-18!) USER MOD Set 3.2: A 31 HIS : no HD1:sc= -2.32 K(o=-7.5,f=-11) USER MOD Set 3.3: A 33 HIS : no HE2:sc= -4.61 K(o=-7.5,f=-12!) USER MOD Set 4.1: A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 79 GLN : amide:sc= -1.52 K(o=-1.5,f=-13!) USER MOD Single : A 5 ASN : amide:sc= -0.193 K(o=-0.19,f=-1.4) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot -131:sc= -1.58! USER MOD Single : A -3 ASN : amide:sc= -1.71 K(o=-1.7,f=-5.9!) USER MOD Single : A -4 SER N :NH3+ 133:sc= 0.103 (180deg=0) USER MOD Single : A -4 SER OG : rot 180:sc= 0.013 USER MOD Single : A 12 LYS NZ :NH3+ -115:sc= -1.88! (180deg=-4.32!) USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.154 USER MOD Single : A 28 GLN : amide:sc= -1.68 K(o=-1.7,f=-10!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0.664 K(o=0.66,f=-3.5!) USER MOD Single : A 50 TYR OH : rot 30:sc= -0.82 USER MOD Single : A 53 ASN : amide:sc= -0.413 K(o=-0.41,f=-9.8!) USER MOD Single : A 64 TYR OH : rot 109:sc= -0.299 USER MOD Single : A 65 THR OG1 : rot -91:sc= 0.481 USER MOD Single : A 66 THR OG1 : rot 160:sc= -0.463 USER MOD Single : A 70 LYS NZ :NH3+ -179:sc= 1.02 (180deg=0.987) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -4 2.297 37.406 -2.881 1.00 0.00 N ATOM 2 CA SER A -4 2.932 36.093 -2.675 1.00 0.00 C ATOM 3 C SER A -4 1.879 34.994 -2.765 1.00 0.00 C ATOM 4 O SER A -4 0.694 35.243 -2.544 1.00 0.00 O ATOM 5 CB SER A -4 3.607 36.072 -1.305 1.00 0.00 C ATOM 6 OG SER A -4 4.516 37.155 -1.174 1.00 0.00 O ATOM 0 H1 SER A -4 2.624 38.068 -2.149 1.00 0.00 H new ATOM 0 H2 SER A -4 2.554 37.773 -3.820 1.00 0.00 H new ATOM 0 H3 SER A -4 1.264 37.305 -2.820 1.00 0.00 H new ATOM 0 HA SER A -4 3.683 35.920 -3.446 1.00 0.00 H new ATOM 0 HB2 SER A -4 2.851 36.129 -0.521 1.00 0.00 H new ATOM 0 HB3 SER A -4 4.136 35.129 -1.170 1.00 0.00 H new ATOM 0 HG SER A -4 4.936 37.124 -0.289 1.00 0.00 H new ATOM 14 N ASN A -3 2.307 33.779 -3.092 1.00 0.00 N ATOM 15 CA ASN A -3 1.386 32.653 -3.193 1.00 0.00 C ATOM 16 C ASN A -3 1.181 32.040 -1.817 1.00 0.00 C ATOM 17 O ASN A -3 0.489 31.028 -1.676 1.00 0.00 O ATOM 18 CB ASN A -3 1.897 31.589 -4.177 1.00 0.00 C ATOM 19 CG ASN A -3 3.156 30.883 -3.701 1.00 0.00 C ATOM 20 OD1 ASN A -3 4.014 31.484 -3.058 1.00 0.00 O ATOM 21 ND2 ASN A -3 3.265 29.594 -3.996 1.00 0.00 N ATOM 0 H ASN A -3 3.281 33.550 -3.291 1.00 0.00 H new ATOM 0 HA ASN A -3 0.435 33.024 -3.576 1.00 0.00 H new ATOM 0 HB2 ASN A -3 1.114 30.849 -4.340 1.00 0.00 H new ATOM 0 HB3 ASN A -3 2.095 32.060 -5.140 1.00 0.00 H new ATOM 0 HD21 ASN A -3 4.082 29.067 -3.687 1.00 0.00 H new ATOM 0 HD22 ASN A -3 2.532 29.130 -4.532 1.00 0.00 H new ATOM 28 N ALA A -2 1.817 32.666 -0.820 1.00 0.00 N ATOM 29 CA ALA A -2 1.670 32.301 0.581 1.00 0.00 C ATOM 30 C ALA A -2 2.341 30.966 0.861 1.00 0.00 C ATOM 31 O ALA A -2 1.990 30.250 1.799 1.00 0.00 O ATOM 32 CB ALA A -2 0.207 32.299 0.967 1.00 0.00 C ATOM 0 H ALA A -2 2.454 33.448 -0.972 1.00 0.00 H new ATOM 0 HA ALA A -2 2.172 33.045 1.200 1.00 0.00 H new ATOM 0 HB1 ALA A -2 0.108 32.025 2.017 1.00 0.00 H new ATOM 0 HB2 ALA A -2 -0.212 33.293 0.811 1.00 0.00 H new ATOM 0 HB3 ALA A -2 -0.331 31.578 0.351 1.00 0.00 H new ATOM 38 N ASP A -1 3.329 30.659 0.038 1.00 0.00 N ATOM 39 CA ASP A -1 4.124 29.448 0.185 1.00 0.00 C ATOM 40 C ASP A -1 5.296 29.716 1.122 1.00 0.00 C ATOM 41 O ASP A -1 6.467 29.629 0.747 1.00 0.00 O ATOM 42 CB ASP A -1 4.611 28.978 -1.188 1.00 0.00 C ATOM 43 CG ASP A -1 5.402 27.692 -1.134 1.00 0.00 C ATOM 44 OD1 ASP A -1 4.831 26.646 -0.762 1.00 0.00 O ATOM 45 OD2 ASP A -1 6.594 27.723 -1.495 1.00 0.00 O ATOM 0 H ASP A -1 3.604 31.242 -0.752 1.00 0.00 H new ATOM 0 HA ASP A -1 3.513 28.656 0.618 1.00 0.00 H new ATOM 0 HB2 ASP A -1 3.751 28.840 -1.843 1.00 0.00 H new ATOM 0 HB3 ASP A -1 5.229 29.758 -1.633 1.00 0.00 H new ATOM 50 N CYS A 1 4.961 30.086 2.343 1.00 0.00 N ATOM 51 CA CYS A 1 5.950 30.369 3.366 1.00 0.00 C ATOM 52 C CYS A 1 5.344 30.213 4.757 1.00 0.00 C ATOM 53 O CYS A 1 4.141 30.395 4.947 1.00 0.00 O ATOM 54 CB CYS A 1 6.531 31.776 3.173 1.00 0.00 C ATOM 55 SG CYS A 1 5.394 32.980 2.392 1.00 0.00 S ATOM 0 H CYS A 1 3.996 30.199 2.654 1.00 0.00 H new ATOM 0 HA CYS A 1 6.763 29.649 3.272 1.00 0.00 H new ATOM 0 HB2 CYS A 1 6.835 32.164 4.145 1.00 0.00 H new ATOM 0 HB3 CYS A 1 7.432 31.701 2.564 1.00 0.00 H new ATOM 60 N MET A 2 6.180 29.855 5.724 1.00 0.00 N ATOM 61 CA MET A 2 5.712 29.619 7.089 1.00 0.00 C ATOM 62 C MET A 2 5.960 30.800 8.002 1.00 0.00 C ATOM 63 O MET A 2 6.912 31.543 7.827 1.00 0.00 O ATOM 64 CB MET A 2 6.354 28.357 7.674 1.00 0.00 C ATOM 65 CG MET A 2 7.858 28.262 7.474 1.00 0.00 C ATOM 66 SD MET A 2 8.785 28.619 8.973 1.00 0.00 S ATOM 67 CE MET A 2 10.462 28.317 8.415 1.00 0.00 C ATOM 0 H MET A 2 7.183 29.721 5.592 1.00 0.00 H new ATOM 0 HA MET A 2 4.633 29.478 7.027 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.139 28.318 8.742 1.00 0.00 H new ATOM 0 HB3 MET A 2 5.885 27.483 7.222 1.00 0.00 H new ATOM 0 HG2 MET A 2 8.111 27.261 7.126 1.00 0.00 H new ATOM 0 HG3 MET A 2 8.160 28.958 6.691 1.00 0.00 H new ATOM 0 HE1 MET A 2 11.156 28.497 9.236 1.00 0.00 H new ATOM 0 HE2 MET A 2 10.554 27.283 8.082 1.00 0.00 H new ATOM 0 HE3 MET A 2 10.696 28.987 7.588 1.00 0.00 H new ATOM 77 N PHE A 3 5.084 30.955 8.981 1.00 0.00 N ATOM 78 CA PHE A 3 5.156 32.047 9.925 1.00 0.00 C ATOM 79 C PHE A 3 5.638 31.492 11.248 1.00 0.00 C ATOM 80 O PHE A 3 4.912 30.745 11.909 1.00 0.00 O ATOM 81 CB PHE A 3 3.774 32.691 10.105 1.00 0.00 C ATOM 82 CG PHE A 3 3.122 33.140 8.821 1.00 0.00 C ATOM 83 CD1 PHE A 3 2.439 32.235 8.020 1.00 0.00 C ATOM 84 CD2 PHE A 3 3.180 34.464 8.421 1.00 0.00 C ATOM 85 CE1 PHE A 3 1.832 32.643 6.848 1.00 0.00 C ATOM 86 CE2 PHE A 3 2.575 34.878 7.250 1.00 0.00 C ATOM 87 CZ PHE A 3 1.899 33.967 6.464 1.00 0.00 C ATOM 0 H PHE A 3 4.301 30.321 9.140 1.00 0.00 H new ATOM 0 HA PHE A 3 5.842 32.810 9.558 1.00 0.00 H new ATOM 0 HB2 PHE A 3 3.116 31.978 10.602 1.00 0.00 H new ATOM 0 HB3 PHE A 3 3.871 33.550 10.768 1.00 0.00 H new ATOM 0 HD1 PHE A 3 2.381 31.198 8.317 1.00 0.00 H new ATOM 0 HD2 PHE A 3 3.705 35.183 9.032 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.306 31.927 6.233 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.631 35.914 6.950 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.423 34.290 5.550 1.00 0.00 H new ATOM 97 N GLY A 4 6.869 31.795 11.609 1.00 0.00 N ATOM 98 CA GLY A 4 7.409 31.246 12.810 1.00 0.00 C ATOM 99 C GLY A 4 7.861 29.828 12.596 1.00 0.00 C ATOM 100 O GLY A 4 8.784 29.572 11.819 1.00 0.00 O ATOM 0 H GLY A 4 7.496 32.409 11.089 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.250 31.853 13.146 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.658 31.277 13.599 1.00 0.00 H new ATOM 104 N ASN A 5 7.149 28.912 13.231 1.00 0.00 N ATOM 105 CA ASN A 5 7.475 27.496 13.201 1.00 0.00 C ATOM 106 C ASN A 5 6.706 26.792 12.107 1.00 0.00 C ATOM 107 O ASN A 5 6.938 25.623 11.830 1.00 0.00 O ATOM 108 CB ASN A 5 7.121 26.841 14.536 1.00 0.00 C ATOM 109 CG ASN A 5 8.059 27.222 15.660 1.00 0.00 C ATOM 110 OD1 ASN A 5 9.239 27.506 15.443 1.00 0.00 O ATOM 111 ND2 ASN A 5 7.537 27.216 16.873 1.00 0.00 N ATOM 0 H ASN A 5 6.322 29.132 13.786 1.00 0.00 H new ATOM 0 HA ASN A 5 8.545 27.407 13.012 1.00 0.00 H new ATOM 0 HB2 ASN A 5 6.104 27.121 14.811 1.00 0.00 H new ATOM 0 HB3 ASN A 5 7.132 25.758 14.415 1.00 0.00 H new ATOM 0 HD21 ASN A 5 8.116 27.453 17.679 1.00 0.00 H new ATOM 0 HD22 ASN A 5 6.555 26.974 17.004 1.00 0.00 H new ATOM 118 N GLY A 6 5.762 27.489 11.512 1.00 0.00 N ATOM 119 CA GLY A 6 4.921 26.858 10.529 1.00 0.00 C ATOM 120 C GLY A 6 3.578 26.518 11.118 1.00 0.00 C ATOM 121 O GLY A 6 2.830 25.696 10.586 1.00 0.00 O ATOM 0 H GLY A 6 5.563 28.474 11.689 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.791 27.522 9.674 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.402 25.952 10.159 1.00 0.00 H new ATOM 125 N LYS A 7 3.280 27.166 12.226 1.00 0.00 N ATOM 126 CA LYS A 7 2.034 26.960 12.929 1.00 0.00 C ATOM 127 C LYS A 7 0.872 27.542 12.130 1.00 0.00 C ATOM 128 O LYS A 7 -0.164 26.898 11.963 1.00 0.00 O ATOM 129 CB LYS A 7 2.143 27.593 14.311 1.00 0.00 C ATOM 130 CG LYS A 7 3.140 26.885 15.203 1.00 0.00 C ATOM 131 CD LYS A 7 3.097 27.404 16.625 1.00 0.00 C ATOM 132 CE LYS A 7 1.763 27.111 17.283 1.00 0.00 C ATOM 133 NZ LYS A 7 1.788 27.412 18.734 1.00 0.00 N ATOM 0 H LYS A 7 3.897 27.851 12.663 1.00 0.00 H new ATOM 0 HA LYS A 7 1.839 25.894 13.046 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.435 28.638 14.205 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.163 27.583 14.789 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.932 25.815 15.201 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.144 27.016 14.800 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.898 26.946 17.205 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.276 28.479 16.627 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.983 27.702 16.803 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.506 26.062 17.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.858 27.199 19.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.515 26.830 19.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.008 28.418 18.876 1.00 0.00 H new ATOM 147 N GLY A 8 1.063 28.754 11.617 1.00 0.00 N ATOM 148 CA GLY A 8 0.113 29.337 10.705 1.00 0.00 C ATOM 149 C GLY A 8 0.628 29.271 9.285 1.00 0.00 C ATOM 150 O GLY A 8 0.255 30.077 8.435 1.00 0.00 O ATOM 0 H GLY A 8 1.870 29.343 11.824 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.839 28.810 10.777 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.075 30.374 10.981 1.00 0.00 H new ATOM 154 N TYR A 9 1.514 28.311 9.046 1.00 0.00 N ATOM 155 CA TYR A 9 2.057 28.049 7.721 1.00 0.00 C ATOM 156 C TYR A 9 0.960 27.549 6.793 1.00 0.00 C ATOM 157 O TYR A 9 0.597 26.377 6.825 1.00 0.00 O ATOM 158 CB TYR A 9 3.172 27.008 7.842 1.00 0.00 C ATOM 159 CG TYR A 9 3.650 26.408 6.541 1.00 0.00 C ATOM 160 CD1 TYR A 9 3.722 27.153 5.375 1.00 0.00 C ATOM 161 CD2 TYR A 9 4.016 25.076 6.489 1.00 0.00 C ATOM 162 CE1 TYR A 9 4.133 26.578 4.191 1.00 0.00 C ATOM 163 CE2 TYR A 9 4.437 24.497 5.315 1.00 0.00 C ATOM 164 CZ TYR A 9 4.490 25.251 4.166 1.00 0.00 C ATOM 165 OH TYR A 9 4.876 24.670 2.983 1.00 0.00 O ATOM 0 H TYR A 9 1.877 27.691 9.770 1.00 0.00 H new ATOM 0 HA TYR A 9 2.463 28.969 7.300 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.023 27.470 8.342 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.823 26.201 8.487 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.452 28.199 5.394 1.00 0.00 H new ATOM 0 HD2 TYR A 9 3.970 24.479 7.388 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.174 27.168 3.287 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.724 23.456 5.295 1.00 0.00 H new ATOM 0 HH TYR A 9 4.390 23.828 2.858 1.00 0.00 H new ATOM 175 N ARG A 10 0.412 28.445 5.995 1.00 0.00 N ATOM 176 CA ARG A 10 -0.632 28.089 5.046 1.00 0.00 C ATOM 177 C ARG A 10 -0.051 28.002 3.636 1.00 0.00 C ATOM 178 O ARG A 10 -0.618 28.532 2.682 1.00 0.00 O ATOM 179 CB ARG A 10 -1.771 29.120 5.094 1.00 0.00 C ATOM 180 CG ARG A 10 -2.897 28.813 6.088 1.00 0.00 C ATOM 181 CD ARG A 10 -2.445 28.798 7.547 1.00 0.00 C ATOM 182 NE ARG A 10 -1.768 27.555 7.915 1.00 0.00 N ATOM 183 CZ ARG A 10 -1.908 26.948 9.092 1.00 0.00 C ATOM 184 NH1 ARG A 10 -2.884 27.301 9.922 1.00 0.00 N ATOM 185 NH2 ARG A 10 -1.098 25.948 9.409 1.00 0.00 N ATOM 0 H ARG A 10 0.673 29.431 5.983 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.037 27.114 5.318 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.347 30.093 5.341 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.203 29.205 4.097 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.686 29.556 5.970 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.332 27.844 5.842 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.774 29.639 7.724 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.311 28.940 8.193 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.150 27.126 7.227 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.533 28.042 9.660 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.984 26.831 10.822 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.375 25.650 8.754 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.197 25.477 10.308 1.00 0.00 H new ATOM 199 N GLY A 11 1.085 27.324 3.520 1.00 0.00 N ATOM 200 CA GLY A 11 1.783 27.234 2.250 1.00 0.00 C ATOM 201 C GLY A 11 1.459 25.963 1.495 1.00 0.00 C ATOM 202 O GLY A 11 0.418 25.346 1.727 1.00 0.00 O ATOM 0 H GLY A 11 1.539 26.831 4.289 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.521 28.094 1.634 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.858 27.283 2.426 1.00 0.00 H new ATOM 206 N LYS A 12 2.359 25.546 0.609 1.00 0.00 N ATOM 207 CA LYS A 12 2.071 24.443 -0.289 1.00 0.00 C ATOM 208 C LYS A 12 3.339 23.693 -0.645 1.00 0.00 C ATOM 209 O LYS A 12 3.415 23.039 -1.685 1.00 0.00 O ATOM 210 CB LYS A 12 1.359 24.939 -1.562 1.00 0.00 C ATOM 211 CG LYS A 12 2.008 26.142 -2.236 1.00 0.00 C ATOM 212 CD LYS A 12 1.464 27.471 -1.717 1.00 0.00 C ATOM 213 CE LYS A 12 0.005 27.685 -2.105 1.00 0.00 C ATOM 214 NZ LYS A 12 -0.942 27.033 -1.159 1.00 0.00 N ATOM 0 H LYS A 12 3.287 25.955 0.497 1.00 0.00 H new ATOM 0 HA LYS A 12 1.401 23.756 0.228 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.316 24.119 -2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.330 25.195 -1.308 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.085 26.107 -2.074 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.845 26.082 -3.312 1.00 0.00 H new ATOM 0 HD2 LYS A 12 1.558 27.501 -0.631 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.067 28.288 -2.112 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.204 28.754 -2.143 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.161 27.292 -3.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.461 26.278 -1.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.412 26.625 -0.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.616 27.739 -0.800 1.00 0.00 H new ATOM 228 N ARG A 13 4.342 23.797 0.214 1.00 0.00 N ATOM 229 CA ARG A 13 5.526 22.977 0.072 1.00 0.00 C ATOM 230 C ARG A 13 5.158 21.557 0.449 1.00 0.00 C ATOM 231 O ARG A 13 4.403 21.345 1.394 1.00 0.00 O ATOM 232 CB ARG A 13 6.654 23.485 0.959 1.00 0.00 C ATOM 233 CG ARG A 13 7.171 24.863 0.587 1.00 0.00 C ATOM 234 CD ARG A 13 8.054 24.821 -0.649 1.00 0.00 C ATOM 235 NE ARG A 13 8.567 26.145 -0.991 1.00 0.00 N ATOM 236 CZ ARG A 13 9.764 26.377 -1.520 1.00 0.00 C ATOM 237 NH1 ARG A 13 10.591 25.368 -1.784 1.00 0.00 N ATOM 238 NH2 ARG A 13 10.131 27.621 -1.802 1.00 0.00 N ATOM 0 H ARG A 13 4.356 24.436 1.009 1.00 0.00 H new ATOM 0 HA ARG A 13 5.881 23.018 -0.958 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.306 23.507 1.992 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.481 22.776 0.916 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.328 25.531 0.409 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.735 25.277 1.423 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.888 24.141 -0.478 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.485 24.423 -1.489 1.00 0.00 H new ATOM 0 HE ARG A 13 7.964 26.948 -0.811 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.308 24.410 -1.580 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.508 25.553 -2.190 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.495 28.396 -1.613 1.00 0.00 H new ATOM 0 HH22 ARG A 13 11.049 27.802 -2.208 1.00 0.00 H new ATOM 252 N VAL A 14 5.673 20.600 -0.290 1.00 0.00 N ATOM 253 CA VAL A 14 5.240 19.213 -0.166 1.00 0.00 C ATOM 254 C VAL A 14 6.423 18.262 -0.286 1.00 0.00 C ATOM 255 O VAL A 14 6.302 17.144 -0.789 1.00 0.00 O ATOM 256 CB VAL A 14 4.195 18.880 -1.252 1.00 0.00 C ATOM 257 CG1 VAL A 14 2.852 19.499 -0.909 1.00 0.00 C ATOM 258 CG2 VAL A 14 4.667 19.384 -2.608 1.00 0.00 C ATOM 0 H VAL A 14 6.399 20.752 -0.991 1.00 0.00 H new ATOM 0 HA VAL A 14 4.790 19.087 0.819 1.00 0.00 H new ATOM 0 HB VAL A 14 4.079 17.797 -1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.129 19.253 -1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.504 19.107 0.047 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.957 20.582 -0.841 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.921 19.143 -3.365 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.806 20.464 -2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.612 18.906 -2.865 1.00 0.00 H new ATOM 268 N THR A 15 7.571 18.729 0.158 1.00 0.00 N ATOM 269 CA THR A 15 8.816 18.038 -0.004 1.00 0.00 C ATOM 270 C THR A 15 9.735 18.446 1.143 1.00 0.00 C ATOM 271 O THR A 15 9.877 19.636 1.443 1.00 0.00 O ATOM 272 CB THR A 15 9.404 18.412 -1.367 1.00 0.00 C ATOM 273 OG1 THR A 15 8.490 18.057 -2.415 1.00 0.00 O ATOM 274 CG2 THR A 15 10.702 17.729 -1.599 1.00 0.00 C ATOM 0 H THR A 15 7.658 19.618 0.650 1.00 0.00 H new ATOM 0 HA THR A 15 8.688 16.956 0.024 1.00 0.00 H new ATOM 0 HB THR A 15 9.570 19.489 -1.371 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.875 18.302 -3.282 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.094 18.015 -2.575 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.410 18.021 -0.824 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.556 16.649 -1.569 1.00 0.00 H new ATOM 282 N THR A 16 10.323 17.457 1.793 1.00 0.00 N ATOM 283 CA THR A 16 11.058 17.660 3.031 1.00 0.00 C ATOM 284 C THR A 16 12.365 18.421 2.824 1.00 0.00 C ATOM 285 O THR A 16 12.660 18.898 1.724 1.00 0.00 O ATOM 286 CB THR A 16 11.384 16.308 3.677 1.00 0.00 C ATOM 287 OG1 THR A 16 12.178 15.536 2.771 1.00 0.00 O ATOM 288 CG2 THR A 16 10.115 15.545 4.021 1.00 0.00 C ATOM 0 H THR A 16 10.305 16.487 1.477 1.00 0.00 H new ATOM 0 HA THR A 16 10.415 18.257 3.677 1.00 0.00 H new ATOM 0 HB THR A 16 11.934 16.486 4.601 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.615 15.211 2.038 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.377 14.590 4.478 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.517 16.130 4.720 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.540 15.367 3.112 1.00 0.00 H new ATOM 296 N VAL A 17 13.154 18.511 3.886 1.00 0.00 N ATOM 297 CA VAL A 17 14.464 19.133 3.819 1.00 0.00 C ATOM 298 C VAL A 17 15.410 18.312 2.957 1.00 0.00 C ATOM 299 O VAL A 17 16.412 18.813 2.451 1.00 0.00 O ATOM 300 CB VAL A 17 15.097 19.314 5.209 1.00 0.00 C ATOM 301 CG1 VAL A 17 14.385 20.408 5.988 1.00 0.00 C ATOM 302 CG2 VAL A 17 15.086 18.009 5.989 1.00 0.00 C ATOM 0 H VAL A 17 12.905 18.157 4.810 1.00 0.00 H new ATOM 0 HA VAL A 17 14.312 20.117 3.376 1.00 0.00 H new ATOM 0 HB VAL A 17 16.135 19.614 5.067 1.00 0.00 H new ATOM 0 HG11 VAL A 17 14.850 20.518 6.968 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.459 21.349 5.443 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.335 20.142 6.112 1.00 0.00 H new ATOM 0 HG21 VAL A 17 15.539 18.166 6.968 1.00 0.00 H new ATOM 0 HG22 VAL A 17 14.058 17.670 6.116 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.653 17.254 5.444 1.00 0.00 H new ATOM 312 N THR A 18 15.065 17.051 2.777 1.00 0.00 N ATOM 313 CA THR A 18 15.860 16.146 1.974 1.00 0.00 C ATOM 314 C THR A 18 15.345 16.169 0.552 1.00 0.00 C ATOM 315 O THR A 18 15.993 15.689 -0.381 1.00 0.00 O ATOM 316 CB THR A 18 15.740 14.712 2.511 1.00 0.00 C ATOM 317 OG1 THR A 18 14.399 14.238 2.310 1.00 0.00 O ATOM 318 CG2 THR A 18 16.068 14.673 3.992 1.00 0.00 C ATOM 0 H THR A 18 14.230 16.628 3.182 1.00 0.00 H new ATOM 0 HA THR A 18 16.902 16.462 2.013 1.00 0.00 H new ATOM 0 HB THR A 18 16.444 14.075 1.975 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.782 14.755 2.869 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.978 13.650 4.358 1.00 0.00 H new ATOM 0 HG22 THR A 18 17.087 15.026 4.148 1.00 0.00 H new ATOM 0 HG23 THR A 18 15.374 15.315 4.535 1.00 0.00 H new ATOM 326 N GLY A 19 14.168 16.751 0.406 1.00 0.00 N ATOM 327 CA GLY A 19 13.493 16.743 -0.855 1.00 0.00 C ATOM 328 C GLY A 19 12.731 15.456 -1.063 1.00 0.00 C ATOM 329 O GLY A 19 12.372 15.115 -2.191 1.00 0.00 O ATOM 0 H GLY A 19 13.669 17.233 1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.806 17.587 -0.907 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.218 16.872 -1.659 1.00 0.00 H new ATOM 333 N THR A 20 12.492 14.728 0.019 1.00 0.00 N ATOM 334 CA THR A 20 11.560 13.625 -0.023 1.00 0.00 C ATOM 335 C THR A 20 10.136 14.173 0.015 1.00 0.00 C ATOM 336 O THR A 20 9.800 14.948 0.905 1.00 0.00 O ATOM 337 CB THR A 20 11.772 12.662 1.156 1.00 0.00 C ATOM 338 OG1 THR A 20 13.101 12.114 1.115 1.00 0.00 O ATOM 339 CG2 THR A 20 10.750 11.542 1.115 1.00 0.00 C ATOM 0 H THR A 20 12.930 14.884 0.927 1.00 0.00 H new ATOM 0 HA THR A 20 11.728 13.068 -0.945 1.00 0.00 H new ATOM 0 HB THR A 20 11.645 13.218 2.085 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.730 12.752 1.511 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.914 10.869 1.957 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.746 11.963 1.177 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.854 10.988 0.182 1.00 0.00 H new ATOM 347 N PRO A 21 9.297 13.826 -0.967 1.00 0.00 N ATOM 348 CA PRO A 21 7.893 14.243 -0.982 1.00 0.00 C ATOM 349 C PRO A 21 7.157 13.915 0.306 1.00 0.00 C ATOM 350 O PRO A 21 7.262 12.805 0.835 1.00 0.00 O ATOM 351 CB PRO A 21 7.302 13.421 -2.112 1.00 0.00 C ATOM 352 CG PRO A 21 8.435 13.213 -3.041 1.00 0.00 C ATOM 353 CD PRO A 21 9.643 13.029 -2.159 1.00 0.00 C ATOM 0 HA PRO A 21 7.805 15.323 -1.099 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.905 12.473 -1.749 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.480 13.946 -2.598 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.271 12.339 -3.672 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.560 14.067 -3.706 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.808 11.980 -1.911 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.553 13.390 -2.638 1.00 0.00 H new ATOM 361 N CYS A 22 6.422 14.886 0.811 1.00 0.00 N ATOM 362 CA CYS A 22 5.561 14.654 1.960 1.00 0.00 C ATOM 363 C CYS A 22 4.357 13.805 1.569 1.00 0.00 C ATOM 364 O CYS A 22 3.793 13.954 0.482 1.00 0.00 O ATOM 365 CB CYS A 22 5.091 15.977 2.556 1.00 0.00 C ATOM 366 SG CYS A 22 6.454 17.038 3.117 1.00 0.00 S ATOM 0 H CYS A 22 6.401 15.839 0.448 1.00 0.00 H new ATOM 0 HA CYS A 22 6.140 14.116 2.711 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.504 16.515 1.811 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.429 15.773 3.397 1.00 0.00 H new ATOM 371 N GLN A 23 4.001 12.899 2.461 1.00 0.00 N ATOM 372 CA GLN A 23 2.820 12.068 2.332 1.00 0.00 C ATOM 373 C GLN A 23 1.598 12.902 2.588 1.00 0.00 C ATOM 374 O GLN A 23 1.686 14.001 3.137 1.00 0.00 O ATOM 375 CB GLN A 23 2.851 10.970 3.383 1.00 0.00 C ATOM 376 CG GLN A 23 1.842 9.851 3.185 1.00 0.00 C ATOM 377 CD GLN A 23 1.972 8.824 4.277 1.00 0.00 C ATOM 378 OE1 GLN A 23 2.756 7.903 4.153 1.00 0.00 O ATOM 379 NE2 GLN A 23 1.164 8.933 5.325 1.00 0.00 N ATOM 0 H GLN A 23 4.535 12.717 3.311 1.00 0.00 H new ATOM 0 HA GLN A 23 2.798 11.640 1.330 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.851 10.536 3.402 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.681 11.421 4.361 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.832 10.261 3.182 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.998 9.380 2.214 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.520 9.721 5.393 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.187 8.229 6.062 1.00 0.00 H new ATOM 388 N ASP A 24 0.458 12.356 2.254 1.00 0.00 N ATOM 389 CA ASP A 24 -0.776 13.021 2.525 1.00 0.00 C ATOM 390 C ASP A 24 -1.043 12.854 3.996 1.00 0.00 C ATOM 391 O ASP A 24 -1.006 11.736 4.521 1.00 0.00 O ATOM 392 CB ASP A 24 -1.923 12.416 1.714 1.00 0.00 C ATOM 393 CG ASP A 24 -1.727 12.527 0.217 1.00 0.00 C ATOM 394 OD1 ASP A 24 -0.953 11.724 -0.351 1.00 0.00 O ATOM 395 OD2 ASP A 24 -2.364 13.404 -0.400 1.00 0.00 O ATOM 0 H ASP A 24 0.365 11.451 1.793 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.708 14.073 2.246 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.032 11.365 1.981 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.853 12.913 1.989 1.00 0.00 H new ATOM 400 N TRP A 25 -1.256 13.962 4.669 1.00 0.00 N ATOM 401 CA TRP A 25 -1.650 13.939 6.064 1.00 0.00 C ATOM 402 C TRP A 25 -2.861 13.047 6.219 1.00 0.00 C ATOM 403 O TRP A 25 -3.036 12.368 7.224 1.00 0.00 O ATOM 404 CB TRP A 25 -1.974 15.350 6.532 1.00 0.00 C ATOM 405 CG TRP A 25 -0.885 16.319 6.233 1.00 0.00 C ATOM 406 CD1 TRP A 25 -0.746 17.052 5.103 1.00 0.00 C ATOM 407 CD2 TRP A 25 0.217 16.660 7.074 1.00 0.00 C ATOM 408 NE1 TRP A 25 0.377 17.820 5.185 1.00 0.00 N ATOM 409 CE2 TRP A 25 0.981 17.610 6.394 1.00 0.00 C ATOM 410 CE3 TRP A 25 0.620 16.255 8.336 1.00 0.00 C ATOM 411 CZ2 TRP A 25 2.136 18.166 6.942 1.00 0.00 C ATOM 412 CZ3 TRP A 25 1.759 16.801 8.890 1.00 0.00 C ATOM 413 CH2 TRP A 25 2.507 17.752 8.195 1.00 0.00 C ATOM 0 H TRP A 25 -1.163 14.897 4.272 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.833 13.550 6.672 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -2.894 15.685 6.053 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -2.160 15.338 7.606 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.424 17.031 4.262 1.00 0.00 H new ATOM 0 HE1 TRP A 25 0.714 18.452 4.459 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.048 15.519 8.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 2.717 18.896 6.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.076 16.489 9.874 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.393 18.169 8.652 1.00 0.00 H new ATOM 424 N ALA A 26 -3.679 13.049 5.183 1.00 0.00 N ATOM 425 CA ALA A 26 -4.878 12.236 5.138 1.00 0.00 C ATOM 426 C ALA A 26 -4.584 10.763 4.825 1.00 0.00 C ATOM 427 O ALA A 26 -5.431 9.908 5.072 1.00 0.00 O ATOM 428 CB ALA A 26 -5.852 12.808 4.122 1.00 0.00 C ATOM 0 H ALA A 26 -3.530 13.616 4.348 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.324 12.263 6.132 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.751 12.192 4.093 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.118 13.826 4.406 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.386 12.817 3.136 1.00 0.00 H new ATOM 434 N ALA A 27 -3.392 10.442 4.307 1.00 0.00 N ATOM 435 CA ALA A 27 -3.135 9.090 3.849 1.00 0.00 C ATOM 436 C ALA A 27 -2.325 8.355 4.887 1.00 0.00 C ATOM 437 O ALA A 27 -1.538 8.957 5.586 1.00 0.00 O ATOM 438 CB ALA A 27 -2.411 9.090 2.512 1.00 0.00 C ATOM 0 H ALA A 27 -2.612 11.091 4.200 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.089 8.583 3.707 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.232 8.063 2.195 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.023 9.599 1.767 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.458 9.609 2.614 1.00 0.00 H new ATOM 444 N GLN A 28 -2.503 7.059 4.957 1.00 0.00 N ATOM 445 CA GLN A 28 -1.859 6.224 5.942 1.00 0.00 C ATOM 446 C GLN A 28 -0.814 5.434 5.218 1.00 0.00 C ATOM 447 O GLN A 28 -0.400 4.363 5.649 1.00 0.00 O ATOM 448 CB GLN A 28 -2.872 5.257 6.561 1.00 0.00 C ATOM 449 CG GLN A 28 -4.020 5.944 7.263 1.00 0.00 C ATOM 450 CD GLN A 28 -3.524 6.847 8.355 1.00 0.00 C ATOM 451 OE1 GLN A 28 -3.329 6.415 9.483 1.00 0.00 O ATOM 452 NE2 GLN A 28 -3.290 8.104 8.024 1.00 0.00 N ATOM 0 H GLN A 28 -3.111 6.545 4.319 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.430 6.831 6.739 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.271 4.613 5.778 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.357 4.612 7.273 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.597 6.523 6.542 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.693 5.197 7.683 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.467 8.422 7.071 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.932 8.757 8.721 1.00 0.00 H new ATOM 461 N GLU A 29 -0.432 5.954 4.076 1.00 0.00 N ATOM 462 CA GLU A 29 0.349 5.189 3.157 1.00 0.00 C ATOM 463 C GLU A 29 1.330 6.046 2.380 1.00 0.00 C ATOM 464 O GLU A 29 0.983 7.129 1.915 1.00 0.00 O ATOM 465 CB GLU A 29 -0.595 4.476 2.209 1.00 0.00 C ATOM 466 CG GLU A 29 -1.531 3.490 2.887 1.00 0.00 C ATOM 467 CD GLU A 29 -2.536 2.894 1.930 1.00 0.00 C ATOM 468 OE1 GLU A 29 -2.209 1.894 1.262 1.00 0.00 O ATOM 469 OE2 GLU A 29 -3.662 3.435 1.834 1.00 0.00 O ATOM 0 H GLU A 29 -0.653 6.901 3.769 1.00 0.00 H new ATOM 0 HA GLU A 29 0.945 4.471 3.720 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.190 5.220 1.679 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.007 3.946 1.460 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.945 2.689 3.338 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.059 3.994 3.697 1.00 0.00 H new ATOM 476 N PRO A 30 2.573 5.561 2.218 1.00 0.00 N ATOM 477 CA PRO A 30 3.003 4.253 2.730 1.00 0.00 C ATOM 478 C PRO A 30 3.350 4.279 4.222 1.00 0.00 C ATOM 479 O PRO A 30 4.042 3.392 4.722 1.00 0.00 O ATOM 480 CB PRO A 30 4.263 3.936 1.904 1.00 0.00 C ATOM 481 CG PRO A 30 4.453 5.084 0.961 1.00 0.00 C ATOM 482 CD PRO A 30 3.659 6.232 1.509 1.00 0.00 C ATOM 0 HA PRO A 30 2.209 3.512 2.636 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.132 3.818 2.552 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.143 3.001 1.357 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.508 5.347 0.880 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.112 4.822 -0.041 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.255 6.854 2.177 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.286 6.881 0.717 1.00 0.00 H new ATOM 490 N HIS A 31 2.871 5.298 4.925 1.00 0.00 N ATOM 491 CA HIS A 31 3.149 5.464 6.339 1.00 0.00 C ATOM 492 C HIS A 31 1.847 5.675 7.069 1.00 0.00 C ATOM 493 O HIS A 31 1.204 6.726 6.945 1.00 0.00 O ATOM 494 CB HIS A 31 4.103 6.644 6.581 1.00 0.00 C ATOM 495 CG HIS A 31 5.435 6.460 5.934 1.00 0.00 C ATOM 496 ND1 HIS A 31 5.619 6.562 4.579 1.00 0.00 N ATOM 497 CD2 HIS A 31 6.644 6.155 6.456 1.00 0.00 C ATOM 498 CE1 HIS A 31 6.879 6.324 4.291 1.00 0.00 C ATOM 499 NE2 HIS A 31 7.527 6.077 5.411 1.00 0.00 N ATOM 0 H HIS A 31 2.281 6.029 4.528 1.00 0.00 H new ATOM 0 HA HIS A 31 3.640 4.567 6.716 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.645 7.558 6.203 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.242 6.778 7.654 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.871 6.002 7.501 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.311 6.330 3.301 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.521 5.863 5.488 1.00 0.00 H new ATOM 508 N ARG A 32 1.426 4.661 7.795 1.00 0.00 N ATOM 509 CA ARG A 32 0.159 4.734 8.481 1.00 0.00 C ATOM 510 C ARG A 32 0.298 5.687 9.663 1.00 0.00 C ATOM 511 O ARG A 32 1.220 5.557 10.471 1.00 0.00 O ATOM 512 CB ARG A 32 -0.319 3.343 8.953 1.00 0.00 C ATOM 513 CG ARG A 32 0.418 2.769 10.165 1.00 0.00 C ATOM 514 CD ARG A 32 1.825 2.299 9.830 1.00 0.00 C ATOM 515 NE ARG A 32 2.550 1.866 11.022 1.00 0.00 N ATOM 516 CZ ARG A 32 3.497 0.928 11.030 1.00 0.00 C ATOM 517 NH1 ARG A 32 3.821 0.279 9.918 1.00 0.00 N ATOM 518 NH2 ARG A 32 4.121 0.630 12.162 1.00 0.00 N ATOM 0 H ARG A 32 1.937 3.788 7.923 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.596 5.107 7.789 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.381 3.405 9.191 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.218 2.643 8.124 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.469 3.528 10.946 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.153 1.933 10.569 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.773 1.476 9.117 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.372 3.107 9.345 1.00 0.00 H new ATOM 0 HE ARG A 32 2.316 2.312 11.909 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.343 0.496 9.043 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.548 -0.437 9.938 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.876 1.118 13.023 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.846 -0.087 12.171 1.00 0.00 H new ATOM 532 N HIS A 33 -0.575 6.677 9.731 1.00 0.00 N ATOM 533 CA HIS A 33 -0.509 7.649 10.818 1.00 0.00 C ATOM 534 C HIS A 33 -1.875 8.280 11.065 1.00 0.00 C ATOM 535 O HIS A 33 -2.279 9.242 10.413 1.00 0.00 O ATOM 536 CB HIS A 33 0.540 8.734 10.529 1.00 0.00 C ATOM 537 CG HIS A 33 0.184 9.584 9.360 1.00 0.00 C ATOM 538 ND1 HIS A 33 -0.054 10.926 9.446 1.00 0.00 N ATOM 539 CD2 HIS A 33 -0.044 9.253 8.096 1.00 0.00 C ATOM 540 CE1 HIS A 33 -0.421 11.392 8.282 1.00 0.00 C ATOM 541 NE2 HIS A 33 -0.420 10.397 7.430 1.00 0.00 N ATOM 0 H HIS A 33 -1.328 6.832 9.060 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.207 7.118 11.720 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.655 9.366 11.410 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.505 8.261 10.348 1.00 0.00 H new ATOM 0 HD1 HIS A 33 0.041 11.483 10.295 1.00 0.00 H new ATOM 0 HD2 HIS A 33 0.049 8.266 7.668 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.680 12.417 8.061 1.00 0.00 H new ATOM 550 N SER A 34 -2.594 7.714 11.992 1.00 0.00 N ATOM 551 CA SER A 34 -3.878 8.262 12.408 1.00 0.00 C ATOM 552 C SER A 34 -3.650 9.442 13.359 1.00 0.00 C ATOM 553 O SER A 34 -4.394 9.649 14.323 1.00 0.00 O ATOM 554 CB SER A 34 -4.725 7.176 13.079 1.00 0.00 C ATOM 555 OG SER A 34 -6.111 7.455 12.957 1.00 0.00 O ATOM 0 H SER A 34 -2.319 6.865 12.485 1.00 0.00 H new ATOM 0 HA SER A 34 -4.419 8.619 11.532 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.505 6.209 12.627 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.458 7.103 14.133 1.00 0.00 H new ATOM 0 HG SER A 34 -6.627 6.745 13.393 1.00 0.00 H new ATOM 561 N ILE A 35 -2.590 10.196 13.077 1.00 0.00 N ATOM 562 CA ILE A 35 -2.194 11.339 13.851 1.00 0.00 C ATOM 563 C ILE A 35 -1.669 12.384 12.895 1.00 0.00 C ATOM 564 O ILE A 35 -1.023 12.045 11.891 1.00 0.00 O ATOM 565 CB ILE A 35 -1.107 11.009 14.900 1.00 0.00 C ATOM 566 CG1 ILE A 35 0.115 10.382 14.225 1.00 0.00 C ATOM 567 CG2 ILE A 35 -1.662 10.090 15.983 1.00 0.00 C ATOM 568 CD1 ILE A 35 1.256 10.089 15.178 1.00 0.00 C ATOM 0 H ILE A 35 -1.977 10.013 12.282 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.063 11.695 14.404 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.795 11.938 15.376 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.186 9.455 13.738 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.470 11.052 13.443 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.880 9.871 16.710 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.496 10.581 16.484 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.007 9.160 15.530 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.086 9.646 14.627 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.586 11.016 15.647 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.919 9.394 15.947 1.00 0.00 H new ATOM 580 N PHE A 36 -1.940 13.632 13.201 1.00 0.00 N ATOM 581 CA PHE A 36 -1.586 14.734 12.350 1.00 0.00 C ATOM 582 C PHE A 36 -2.156 14.547 10.956 1.00 0.00 C ATOM 583 O PHE A 36 -1.464 14.654 9.947 1.00 0.00 O ATOM 584 CB PHE A 36 -0.075 14.945 12.347 1.00 0.00 C ATOM 585 CG PHE A 36 0.502 14.952 13.735 1.00 0.00 C ATOM 586 CD1 PHE A 36 0.219 15.986 14.613 1.00 0.00 C ATOM 587 CD2 PHE A 36 1.307 13.913 14.168 1.00 0.00 C ATOM 588 CE1 PHE A 36 0.732 15.985 15.893 1.00 0.00 C ATOM 589 CE2 PHE A 36 1.821 13.905 15.450 1.00 0.00 C ATOM 590 CZ PHE A 36 1.534 14.943 16.313 1.00 0.00 C ATOM 0 H PHE A 36 -2.418 13.909 14.059 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.032 15.645 12.748 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.399 14.156 11.763 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.157 15.889 11.855 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.411 16.802 14.291 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.536 13.099 13.496 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.506 16.799 16.566 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.447 13.088 15.777 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.936 14.940 17.315 1.00 0.00 H new ATOM 600 N THR A 37 -3.426 14.207 10.938 1.00 0.00 N ATOM 601 CA THR A 37 -4.217 14.207 9.728 1.00 0.00 C ATOM 602 C THR A 37 -5.097 15.453 9.726 1.00 0.00 C ATOM 603 O THR A 37 -5.115 16.194 10.715 1.00 0.00 O ATOM 604 CB THR A 37 -5.122 12.957 9.640 1.00 0.00 C ATOM 605 OG1 THR A 37 -6.265 13.105 10.499 1.00 0.00 O ATOM 606 CG2 THR A 37 -4.360 11.699 10.027 1.00 0.00 C ATOM 0 H THR A 37 -3.943 13.921 11.770 1.00 0.00 H new ATOM 0 HA THR A 37 -3.541 14.198 8.873 1.00 0.00 H new ATOM 0 HB THR A 37 -5.453 12.861 8.606 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.057 12.734 10.057 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.022 10.836 9.956 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.514 11.564 9.353 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.997 11.794 11.050 1.00 0.00 H new ATOM 614 N PRO A 38 -5.846 15.719 8.650 1.00 0.00 N ATOM 615 CA PRO A 38 -6.820 16.807 8.644 1.00 0.00 C ATOM 616 C PRO A 38 -7.921 16.588 9.681 1.00 0.00 C ATOM 617 O PRO A 38 -8.530 17.542 10.170 1.00 0.00 O ATOM 618 CB PRO A 38 -7.418 16.764 7.238 1.00 0.00 C ATOM 619 CG PRO A 38 -6.451 15.982 6.416 1.00 0.00 C ATOM 620 CD PRO A 38 -5.788 15.018 7.357 1.00 0.00 C ATOM 0 HA PRO A 38 -6.357 17.762 8.891 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.400 16.291 7.244 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.551 17.769 6.837 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.962 15.452 5.612 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.717 16.638 5.949 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.313 14.064 7.392 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.761 14.806 7.059 1.00 0.00 H new ATOM 628 N GLU A 39 -8.162 15.327 10.026 1.00 0.00 N ATOM 629 CA GLU A 39 -9.261 14.980 10.913 1.00 0.00 C ATOM 630 C GLU A 39 -8.818 15.038 12.369 1.00 0.00 C ATOM 631 O GLU A 39 -9.607 15.372 13.257 1.00 0.00 O ATOM 632 CB GLU A 39 -9.804 13.580 10.603 1.00 0.00 C ATOM 633 CG GLU A 39 -10.265 13.377 9.164 1.00 0.00 C ATOM 634 CD GLU A 39 -9.113 13.232 8.188 1.00 0.00 C ATOM 635 OE1 GLU A 39 -8.039 12.758 8.606 1.00 0.00 O ATOM 636 OE2 GLU A 39 -9.281 13.580 7.000 1.00 0.00 O ATOM 0 H GLU A 39 -7.611 14.531 9.704 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.054 15.709 10.748 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.029 12.847 10.828 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.641 13.374 11.270 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.893 12.488 9.111 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.884 14.222 8.864 1.00 0.00 H new ATOM 643 N THR A 40 -7.555 14.714 12.615 1.00 0.00 N ATOM 644 CA THR A 40 -7.044 14.681 13.973 1.00 0.00 C ATOM 645 C THR A 40 -6.462 16.030 14.378 1.00 0.00 C ATOM 646 O THR A 40 -6.316 16.322 15.565 1.00 0.00 O ATOM 647 CB THR A 40 -5.992 13.568 14.144 1.00 0.00 C ATOM 648 OG1 THR A 40 -5.132 13.522 13.000 1.00 0.00 O ATOM 649 CG2 THR A 40 -6.662 12.217 14.329 1.00 0.00 C ATOM 0 H THR A 40 -6.873 14.473 11.896 1.00 0.00 H new ATOM 0 HA THR A 40 -7.884 14.462 14.632 1.00 0.00 H new ATOM 0 HB THR A 40 -5.402 13.792 15.033 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.644 13.227 12.218 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.900 11.446 14.448 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.294 12.243 15.217 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.273 11.991 13.455 1.00 0.00 H new ATOM 657 N ASN A 41 -6.147 16.861 13.391 1.00 0.00 N ATOM 658 CA ASN A 41 -5.638 18.200 13.656 1.00 0.00 C ATOM 659 C ASN A 41 -6.349 19.235 12.789 1.00 0.00 C ATOM 660 O ASN A 41 -5.714 19.947 12.011 1.00 0.00 O ATOM 661 CB ASN A 41 -4.130 18.256 13.407 1.00 0.00 C ATOM 662 CG ASN A 41 -3.348 17.449 14.417 1.00 0.00 C ATOM 663 OD1 ASN A 41 -3.188 16.237 14.288 1.00 0.00 O ATOM 664 ND2 ASN A 41 -2.844 18.118 15.430 1.00 0.00 N ATOM 0 H ASN A 41 -6.235 16.631 12.401 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.834 18.434 14.702 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.916 17.884 12.405 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.798 19.294 13.440 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.299 17.631 16.142 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.998 19.124 15.504 1.00 0.00 H new ATOM 671 N PRO A 42 -7.673 19.373 12.948 1.00 0.00 N ATOM 672 CA PRO A 42 -8.483 20.268 12.120 1.00 0.00 C ATOM 673 C PRO A 42 -8.342 21.737 12.521 1.00 0.00 C ATOM 674 O PRO A 42 -9.324 22.479 12.588 1.00 0.00 O ATOM 675 CB PRO A 42 -9.907 19.768 12.362 1.00 0.00 C ATOM 676 CG PRO A 42 -9.885 19.175 13.730 1.00 0.00 C ATOM 677 CD PRO A 42 -8.483 18.677 13.965 1.00 0.00 C ATOM 0 HA PRO A 42 -8.179 20.245 11.073 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.627 20.584 12.298 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.197 19.028 11.616 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.162 19.918 14.478 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.604 18.359 13.810 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.142 18.911 14.973 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.421 17.595 13.850 1.00 0.00 H new ATOM 685 N ARG A 43 -7.112 22.148 12.801 1.00 0.00 N ATOM 686 CA ARG A 43 -6.832 23.531 13.152 1.00 0.00 C ATOM 687 C ARG A 43 -5.537 24.026 12.507 1.00 0.00 C ATOM 688 O ARG A 43 -5.275 25.224 12.475 1.00 0.00 O ATOM 689 CB ARG A 43 -6.746 23.696 14.670 1.00 0.00 C ATOM 690 CG ARG A 43 -5.503 23.085 15.308 1.00 0.00 C ATOM 691 CD ARG A 43 -5.597 21.572 15.439 1.00 0.00 C ATOM 692 NE ARG A 43 -6.829 21.142 16.099 1.00 0.00 N ATOM 693 CZ ARG A 43 -6.896 20.155 16.991 1.00 0.00 C ATOM 694 NH1 ARG A 43 -5.790 19.547 17.405 1.00 0.00 N ATOM 695 NH2 ARG A 43 -8.074 19.795 17.480 1.00 0.00 N ATOM 0 H ARG A 43 -6.292 21.541 12.791 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.656 24.134 12.770 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.775 24.759 14.908 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.629 23.244 15.122 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.629 23.341 14.709 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -5.353 23.523 16.295 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -5.543 21.121 14.448 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.739 21.206 16.003 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.693 21.629 15.861 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.882 19.835 17.040 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.848 18.792 18.088 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.921 20.273 17.173 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.133 19.040 18.163 1.00 0.00 H new ATOM 709 N ALA A 44 -4.727 23.110 11.990 1.00 0.00 N ATOM 710 CA ALA A 44 -3.453 23.497 11.399 1.00 0.00 C ATOM 711 C ALA A 44 -3.535 23.471 9.882 1.00 0.00 C ATOM 712 O ALA A 44 -2.533 23.610 9.183 1.00 0.00 O ATOM 713 CB ALA A 44 -2.320 22.612 11.904 1.00 0.00 C ATOM 0 H ALA A 44 -4.925 22.110 11.968 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.234 24.519 11.708 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.382 22.925 11.445 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.242 22.703 12.987 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.524 21.574 11.641 1.00 0.00 H new ATOM 719 N GLY A 45 -4.754 23.280 9.398 1.00 0.00 N ATOM 720 CA GLY A 45 -5.032 23.327 7.977 1.00 0.00 C ATOM 721 C GLY A 45 -4.222 22.326 7.196 1.00 0.00 C ATOM 722 O GLY A 45 -3.595 22.670 6.206 1.00 0.00 O ATOM 0 H GLY A 45 -5.571 23.089 9.978 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.093 23.139 7.811 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.824 24.329 7.603 1.00 0.00 H new ATOM 726 N LEU A 46 -4.219 21.090 7.653 1.00 0.00 N ATOM 727 CA LEU A 46 -3.445 20.043 7.007 1.00 0.00 C ATOM 728 C LEU A 46 -4.136 19.572 5.732 1.00 0.00 C ATOM 729 O LEU A 46 -5.000 18.696 5.761 1.00 0.00 O ATOM 730 CB LEU A 46 -3.212 18.873 7.971 1.00 0.00 C ATOM 731 CG LEU A 46 -2.404 19.225 9.224 1.00 0.00 C ATOM 732 CD1 LEU A 46 -3.291 19.832 10.286 1.00 0.00 C ATOM 733 CD2 LEU A 46 -1.687 18.010 9.772 1.00 0.00 C ATOM 0 H LEU A 46 -4.745 20.783 8.471 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.473 20.453 6.731 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.179 18.476 8.279 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.696 18.076 7.435 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.655 19.962 8.935 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.693 20.073 11.165 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.751 20.741 9.900 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.069 19.120 10.560 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.122 18.291 10.661 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.417 17.244 10.033 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.005 17.619 9.017 1.00 0.00 H new ATOM 745 N GLU A 47 -3.753 20.175 4.616 1.00 0.00 N ATOM 746 CA GLU A 47 -4.355 19.878 3.326 1.00 0.00 C ATOM 747 C GLU A 47 -3.442 18.958 2.540 1.00 0.00 C ATOM 748 O GLU A 47 -2.228 19.169 2.519 1.00 0.00 O ATOM 749 CB GLU A 47 -4.565 21.162 2.519 1.00 0.00 C ATOM 750 CG GLU A 47 -4.663 22.413 3.369 1.00 0.00 C ATOM 751 CD GLU A 47 -4.574 23.684 2.551 1.00 0.00 C ATOM 752 OE1 GLU A 47 -5.576 24.050 1.896 1.00 0.00 O ATOM 753 OE2 GLU A 47 -3.494 24.317 2.551 1.00 0.00 O ATOM 0 H GLU A 47 -3.018 20.882 4.580 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.319 19.400 3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.740 21.276 1.816 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.476 21.063 1.929 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.606 22.403 3.916 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.864 22.407 4.111 1.00 0.00 H new ATOM 760 N LYS A 48 -4.025 17.945 1.911 1.00 0.00 N ATOM 761 CA LYS A 48 -3.292 17.046 1.025 1.00 0.00 C ATOM 762 C LYS A 48 -2.000 16.541 1.660 1.00 0.00 C ATOM 763 O LYS A 48 -2.023 15.695 2.553 1.00 0.00 O ATOM 764 CB LYS A 48 -2.975 17.737 -0.299 1.00 0.00 C ATOM 765 CG LYS A 48 -4.169 17.855 -1.235 1.00 0.00 C ATOM 766 CD LYS A 48 -3.747 18.305 -2.626 1.00 0.00 C ATOM 767 CE LYS A 48 -4.926 18.358 -3.586 1.00 0.00 C ATOM 768 NZ LYS A 48 -4.502 18.675 -4.977 1.00 0.00 N ATOM 0 H LYS A 48 -5.017 17.723 2.000 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.936 16.186 0.843 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.587 18.735 -0.093 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.183 17.185 -0.805 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.677 16.893 -1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.886 18.566 -0.824 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.284 19.290 -2.564 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.992 17.622 -3.015 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.445 17.400 -3.575 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.638 19.110 -3.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.337 18.701 -5.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.030 19.601 -4.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.843 17.944 -5.314 1.00 0.00 H new ATOM 782 N ASN A 49 -0.880 17.096 1.211 1.00 0.00 N ATOM 783 CA ASN A 49 0.423 16.737 1.729 1.00 0.00 C ATOM 784 C ASN A 49 1.280 17.985 1.911 1.00 0.00 C ATOM 785 O ASN A 49 2.495 17.897 2.080 1.00 0.00 O ATOM 786 CB ASN A 49 1.121 15.734 0.801 1.00 0.00 C ATOM 787 CG ASN A 49 1.481 16.295 -0.563 1.00 0.00 C ATOM 788 OD1 ASN A 49 0.778 17.146 -1.112 1.00 0.00 O ATOM 789 ND2 ASN A 49 2.584 15.814 -1.123 1.00 0.00 N ATOM 0 H ASN A 49 -0.856 17.806 0.479 1.00 0.00 H new ATOM 0 HA ASN A 49 0.289 16.261 2.701 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.030 15.378 1.287 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.472 14.869 0.666 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.877 16.148 -2.041 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.138 15.110 -0.635 1.00 0.00 H new ATOM 796 N TYR A 50 0.631 19.149 1.883 1.00 0.00 N ATOM 797 CA TYR A 50 1.337 20.414 2.082 1.00 0.00 C ATOM 798 C TYR A 50 1.875 20.472 3.503 1.00 0.00 C ATOM 799 O TYR A 50 1.115 20.319 4.453 1.00 0.00 O ATOM 800 CB TYR A 50 0.415 21.615 1.857 1.00 0.00 C ATOM 801 CG TYR A 50 -0.411 21.558 0.594 1.00 0.00 C ATOM 802 CD1 TYR A 50 0.167 21.710 -0.659 1.00 0.00 C ATOM 803 CD2 TYR A 50 -1.780 21.373 0.663 1.00 0.00 C ATOM 804 CE1 TYR A 50 -0.604 21.678 -1.805 1.00 0.00 C ATOM 805 CE2 TYR A 50 -2.556 21.334 -0.472 1.00 0.00 C ATOM 806 CZ TYR A 50 -1.964 21.487 -1.706 1.00 0.00 C ATOM 807 OH TYR A 50 -2.738 21.463 -2.840 1.00 0.00 O ATOM 0 H TYR A 50 -0.373 19.242 1.726 1.00 0.00 H new ATOM 0 HA TYR A 50 2.150 20.461 1.358 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.258 21.702 2.710 1.00 0.00 H new ATOM 0 HB3 TYR A 50 1.021 22.521 1.836 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.234 21.855 -0.739 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.250 21.257 1.629 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.142 21.802 -2.773 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.623 21.184 -0.396 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.208 21.122 -3.590 1.00 0.00 H new ATOM 817 N CYS A 51 3.174 20.711 3.634 1.00 0.00 N ATOM 818 CA CYS A 51 3.848 20.706 4.927 1.00 0.00 C ATOM 819 C CYS A 51 3.113 21.551 5.952 1.00 0.00 C ATOM 820 O CYS A 51 2.439 22.523 5.602 1.00 0.00 O ATOM 821 CB CYS A 51 5.265 21.228 4.763 1.00 0.00 C ATOM 822 SG CYS A 51 6.282 20.235 3.639 1.00 0.00 S ATOM 0 H CYS A 51 3.790 20.914 2.847 1.00 0.00 H new ATOM 0 HA CYS A 51 3.863 19.678 5.290 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.225 22.252 4.393 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.746 21.261 5.741 1.00 0.00 H new ATOM 827 N ARG A 52 3.262 21.187 7.217 1.00 0.00 N ATOM 828 CA ARG A 52 2.562 21.854 8.305 1.00 0.00 C ATOM 829 C ARG A 52 3.329 21.705 9.596 1.00 0.00 C ATOM 830 O ARG A 52 4.274 20.931 9.676 1.00 0.00 O ATOM 831 CB ARG A 52 1.156 21.277 8.499 1.00 0.00 C ATOM 832 CG ARG A 52 0.141 21.800 7.507 1.00 0.00 C ATOM 833 CD ARG A 52 0.245 23.308 7.397 1.00 0.00 C ATOM 834 NE ARG A 52 -0.891 23.887 6.709 1.00 0.00 N ATOM 835 CZ ARG A 52 -0.973 24.048 5.383 1.00 0.00 C ATOM 836 NH1 ARG A 52 0.036 23.684 4.596 1.00 0.00 N ATOM 837 NH2 ARG A 52 -2.071 24.565 4.846 1.00 0.00 N ATOM 0 H ARG A 52 3.869 20.424 7.518 1.00 0.00 H new ATOM 0 HA ARG A 52 2.481 22.908 8.040 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.204 20.191 8.417 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.815 21.506 9.509 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.308 21.345 6.531 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.864 21.520 7.822 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.321 23.739 8.395 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.161 23.569 6.866 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.683 24.193 7.274 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.879 23.279 5.002 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.034 23.810 3.586 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.851 24.839 5.444 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.135 24.688 3.836 1.00 0.00 H new ATOM 851 N ASN A 53 2.929 22.452 10.604 1.00 0.00 N ATOM 852 CA ASN A 53 3.448 22.216 11.939 1.00 0.00 C ATOM 853 C ASN A 53 2.286 22.133 12.919 1.00 0.00 C ATOM 854 O ASN A 53 1.973 23.108 13.603 1.00 0.00 O ATOM 855 CB ASN A 53 4.442 23.301 12.377 1.00 0.00 C ATOM 856 CG ASN A 53 5.437 22.781 13.401 1.00 0.00 C ATOM 857 OD1 ASN A 53 5.180 21.793 14.094 1.00 0.00 O ATOM 858 ND2 ASN A 53 6.565 23.462 13.527 1.00 0.00 N ATOM 0 H ASN A 53 2.257 23.216 10.530 1.00 0.00 H new ATOM 0 HA ASN A 53 3.996 21.274 11.928 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.980 23.673 11.505 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.895 24.145 12.798 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.260 23.175 14.217 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.740 24.274 12.934 1.00 0.00 H new ATOM 865 N PRO A 54 1.615 20.964 12.981 1.00 0.00 N ATOM 866 CA PRO A 54 0.477 20.750 13.872 1.00 0.00 C ATOM 867 C PRO A 54 0.855 20.931 15.327 1.00 0.00 C ATOM 868 O PRO A 54 0.021 21.303 16.150 1.00 0.00 O ATOM 869 CB PRO A 54 0.053 19.302 13.621 1.00 0.00 C ATOM 870 CG PRO A 54 0.673 18.927 12.323 1.00 0.00 C ATOM 871 CD PRO A 54 1.916 19.767 12.188 1.00 0.00 C ATOM 0 HA PRO A 54 -0.317 21.470 13.674 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.395 18.648 14.423 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -1.032 19.213 13.578 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.918 17.865 12.302 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.013 19.113 11.497 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.795 19.246 12.568 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.119 20.017 11.147 1.00 0.00 H new ATOM 879 N ASP A 55 2.117 20.672 15.630 1.00 0.00 N ATOM 880 CA ASP A 55 2.612 20.810 16.985 1.00 0.00 C ATOM 881 C ASP A 55 3.215 22.184 17.190 1.00 0.00 C ATOM 882 O ASP A 55 3.303 22.690 18.310 1.00 0.00 O ATOM 883 CB ASP A 55 3.658 19.744 17.304 1.00 0.00 C ATOM 884 CG ASP A 55 3.113 18.340 17.188 1.00 0.00 C ATOM 885 OD1 ASP A 55 2.384 17.904 18.104 1.00 0.00 O ATOM 886 OD2 ASP A 55 3.411 17.668 16.182 1.00 0.00 O ATOM 0 H ASP A 55 2.816 20.365 14.953 1.00 0.00 H new ATOM 0 HA ASP A 55 1.766 20.680 17.659 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.505 19.858 16.627 1.00 0.00 H new ATOM 0 HB3 ASP A 55 4.034 19.901 18.315 1.00 0.00 H new ATOM 891 N GLY A 56 3.619 22.781 16.077 1.00 0.00 N ATOM 892 CA GLY A 56 4.352 24.022 16.102 1.00 0.00 C ATOM 893 C GLY A 56 5.653 23.862 16.826 1.00 0.00 C ATOM 894 O GLY A 56 6.079 24.751 17.564 1.00 0.00 O ATOM 0 H GLY A 56 3.445 22.415 15.141 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.538 24.359 15.082 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.753 24.792 16.588 1.00 0.00 H new ATOM 898 N ASP A 57 6.280 22.716 16.609 1.00 0.00 N ATOM 899 CA ASP A 57 7.557 22.425 17.227 1.00 0.00 C ATOM 900 C ASP A 57 8.592 23.434 16.784 1.00 0.00 C ATOM 901 O ASP A 57 8.604 23.850 15.618 1.00 0.00 O ATOM 902 CB ASP A 57 8.028 21.013 16.891 1.00 0.00 C ATOM 903 CG ASP A 57 7.396 19.973 17.793 1.00 0.00 C ATOM 904 OD1 ASP A 57 7.355 20.199 19.024 1.00 0.00 O ATOM 905 OD2 ASP A 57 6.951 18.930 17.284 1.00 0.00 O ATOM 0 H ASP A 57 5.922 21.974 16.008 1.00 0.00 H new ATOM 0 HA ASP A 57 7.429 22.491 18.307 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.785 20.788 15.853 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.113 20.961 16.983 1.00 0.00 H new ATOM 910 N VAL A 58 9.456 23.820 17.714 1.00 0.00 N ATOM 911 CA VAL A 58 10.453 24.855 17.472 1.00 0.00 C ATOM 912 C VAL A 58 11.607 24.315 16.621 1.00 0.00 C ATOM 913 O VAL A 58 12.780 24.444 16.969 1.00 0.00 O ATOM 914 CB VAL A 58 10.998 25.434 18.798 1.00 0.00 C ATOM 915 CG1 VAL A 58 11.743 26.741 18.555 1.00 0.00 C ATOM 916 CG2 VAL A 58 9.868 25.641 19.796 1.00 0.00 C ATOM 0 H VAL A 58 9.486 23.426 18.654 1.00 0.00 H new ATOM 0 HA VAL A 58 9.961 25.659 16.925 1.00 0.00 H new ATOM 0 HB VAL A 58 11.702 24.715 19.217 1.00 0.00 H new ATOM 0 HG11 VAL A 58 12.117 27.128 19.503 1.00 0.00 H new ATOM 0 HG12 VAL A 58 12.580 26.562 17.880 1.00 0.00 H new ATOM 0 HG13 VAL A 58 11.065 27.468 18.108 1.00 0.00 H new ATOM 0 HG21 VAL A 58 10.271 26.049 20.723 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.139 26.336 19.381 1.00 0.00 H new ATOM 0 HG23 VAL A 58 9.384 24.686 20.000 1.00 0.00 H new ATOM 926 N GLY A 59 11.251 23.667 15.529 1.00 0.00 N ATOM 927 CA GLY A 59 12.221 23.254 14.550 1.00 0.00 C ATOM 928 C GLY A 59 11.805 23.687 13.164 1.00 0.00 C ATOM 929 O GLY A 59 12.619 23.714 12.238 1.00 0.00 O ATOM 0 H GLY A 59 10.289 23.417 15.302 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.194 23.682 14.793 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.334 22.170 14.578 1.00 0.00 H new ATOM 933 N GLY A 60 10.529 24.039 13.016 1.00 0.00 N ATOM 934 CA GLY A 60 10.022 24.432 11.725 1.00 0.00 C ATOM 935 C GLY A 60 8.978 23.454 11.255 1.00 0.00 C ATOM 936 O GLY A 60 8.740 22.449 11.929 1.00 0.00 O ATOM 0 H GLY A 60 9.843 24.057 13.771 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.593 25.432 11.784 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.838 24.477 11.004 1.00 0.00 H new ATOM 940 N PRO A 61 8.332 23.703 10.114 1.00 0.00 N ATOM 941 CA PRO A 61 7.257 22.848 9.642 1.00 0.00 C ATOM 942 C PRO A 61 7.782 21.513 9.157 1.00 0.00 C ATOM 943 O PRO A 61 8.917 21.393 8.685 1.00 0.00 O ATOM 944 CB PRO A 61 6.640 23.645 8.502 1.00 0.00 C ATOM 945 CG PRO A 61 7.773 24.435 7.981 1.00 0.00 C ATOM 946 CD PRO A 61 8.605 24.804 9.181 1.00 0.00 C ATOM 0 HA PRO A 61 6.540 22.605 10.426 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.221 22.992 7.737 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.831 24.286 8.852 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.356 23.856 7.264 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.421 25.326 7.460 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.664 24.872 8.934 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.312 25.768 9.596 1.00 0.00 H new ATOM 954 N TRP A 62 6.940 20.526 9.259 1.00 0.00 N ATOM 955 CA TRP A 62 7.318 19.166 8.998 1.00 0.00 C ATOM 956 C TRP A 62 6.205 18.473 8.244 1.00 0.00 C ATOM 957 O TRP A 62 5.229 19.107 7.833 1.00 0.00 O ATOM 958 CB TRP A 62 7.602 18.439 10.317 1.00 0.00 C ATOM 959 CG TRP A 62 6.448 18.461 11.276 1.00 0.00 C ATOM 960 CD1 TRP A 62 6.056 19.503 12.051 1.00 0.00 C ATOM 961 CD2 TRP A 62 5.544 17.394 11.557 1.00 0.00 C ATOM 962 NE1 TRP A 62 4.953 19.152 12.799 1.00 0.00 N ATOM 963 CE2 TRP A 62 4.626 17.862 12.513 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.424 16.094 11.093 1.00 0.00 C ATOM 965 CZ2 TRP A 62 3.600 17.071 13.010 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.406 15.309 11.587 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.506 15.798 12.535 1.00 0.00 C ATOM 0 H TRP A 62 5.963 20.643 9.528 1.00 0.00 H new ATOM 0 HA TRP A 62 8.224 19.149 8.392 1.00 0.00 H new ATOM 0 HB2 TRP A 62 7.865 17.403 10.102 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.469 18.896 10.794 1.00 0.00 H new ATOM 0 HD1 TRP A 62 6.539 20.469 12.078 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.463 19.758 13.457 1.00 0.00 H new ATOM 0 HE3 TRP A 62 6.114 15.704 10.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 2.904 17.450 13.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.302 14.294 11.233 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.719 15.154 12.899 1.00 0.00 H new ATOM 978 N CYS A 63 6.369 17.189 8.056 1.00 0.00 N ATOM 979 CA CYS A 63 5.385 16.379 7.379 1.00 0.00 C ATOM 980 C CYS A 63 5.723 14.914 7.574 1.00 0.00 C ATOM 981 O CYS A 63 6.698 14.582 8.242 1.00 0.00 O ATOM 982 CB CYS A 63 5.342 16.727 5.891 1.00 0.00 C ATOM 983 SG CYS A 63 6.860 16.318 4.967 1.00 0.00 S ATOM 0 H CYS A 63 7.191 16.672 8.369 1.00 0.00 H new ATOM 0 HA CYS A 63 4.400 16.578 7.801 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.503 16.203 5.434 1.00 0.00 H new ATOM 0 HB3 CYS A 63 5.146 17.794 5.787 1.00 0.00 H new ATOM 988 N TYR A 64 4.914 14.048 7.007 1.00 0.00 N ATOM 989 CA TYR A 64 5.235 12.636 6.957 1.00 0.00 C ATOM 990 C TYR A 64 5.749 12.356 5.573 1.00 0.00 C ATOM 991 O TYR A 64 5.299 12.989 4.634 1.00 0.00 O ATOM 992 CB TYR A 64 4.015 11.787 7.306 1.00 0.00 C ATOM 993 CG TYR A 64 3.748 11.760 8.793 1.00 0.00 C ATOM 994 CD1 TYR A 64 4.528 10.974 9.628 1.00 0.00 C ATOM 995 CD2 TYR A 64 2.735 12.518 9.365 1.00 0.00 C ATOM 996 CE1 TYR A 64 4.314 10.943 10.989 1.00 0.00 C ATOM 997 CE2 TYR A 64 2.511 12.491 10.732 1.00 0.00 C ATOM 998 CZ TYR A 64 3.305 11.699 11.537 1.00 0.00 C ATOM 999 OH TYR A 64 3.097 11.670 12.894 1.00 0.00 O ATOM 0 H TYR A 64 4.025 14.296 6.572 1.00 0.00 H new ATOM 0 HA TYR A 64 5.995 12.376 7.694 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.140 12.180 6.788 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.167 10.769 6.947 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.319 10.374 9.203 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.113 13.137 8.736 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.936 10.328 11.622 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.720 13.086 11.165 1.00 0.00 H new ATOM 0 HH TYR A 64 3.375 12.524 13.286 1.00 0.00 H new ATOM 1009 N THR A 65 6.699 11.457 5.423 1.00 0.00 N ATOM 1010 CA THR A 65 7.356 11.327 4.138 1.00 0.00 C ATOM 1011 C THR A 65 6.796 10.135 3.395 1.00 0.00 C ATOM 1012 O THR A 65 6.314 9.191 4.013 1.00 0.00 O ATOM 1013 CB THR A 65 8.888 11.165 4.289 1.00 0.00 C ATOM 1014 OG1 THR A 65 9.232 9.779 4.454 1.00 0.00 O ATOM 1015 CG2 THR A 65 9.401 11.968 5.477 1.00 0.00 C ATOM 0 H THR A 65 7.027 10.822 6.151 1.00 0.00 H new ATOM 0 HA THR A 65 7.167 12.242 3.576 1.00 0.00 H new ATOM 0 HB THR A 65 9.359 11.543 3.382 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.247 9.557 5.408 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.480 11.840 5.564 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.172 13.023 5.329 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.919 11.617 6.389 1.00 0.00 H new ATOM 1023 N THR A 66 6.814 10.188 2.074 1.00 0.00 N ATOM 1024 CA THR A 66 6.524 9.008 1.285 1.00 0.00 C ATOM 1025 C THR A 66 7.794 8.174 1.088 1.00 0.00 C ATOM 1026 O THR A 66 7.874 7.347 0.180 1.00 0.00 O ATOM 1027 CB THR A 66 5.912 9.372 -0.082 1.00 0.00 C ATOM 1028 OG1 THR A 66 6.705 10.375 -0.730 1.00 0.00 O ATOM 1029 CG2 THR A 66 4.485 9.873 0.079 1.00 0.00 C ATOM 0 H THR A 66 7.024 11.026 1.532 1.00 0.00 H new ATOM 0 HA THR A 66 5.789 8.419 1.833 1.00 0.00 H new ATOM 0 HB THR A 66 5.898 8.472 -0.696 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.515 10.371 -1.691 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.075 10.123 -0.899 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.876 9.095 0.540 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.480 10.760 0.712 1.00 0.00 H new ATOM 1037 N ASN A 67 8.779 8.398 1.959 1.00 0.00 N ATOM 1038 CA ASN A 67 10.040 7.669 1.919 1.00 0.00 C ATOM 1039 C ASN A 67 9.976 6.497 2.882 1.00 0.00 C ATOM 1040 O ASN A 67 9.869 6.696 4.089 1.00 0.00 O ATOM 1041 CB ASN A 67 11.196 8.594 2.317 1.00 0.00 C ATOM 1042 CG ASN A 67 12.563 7.982 2.121 1.00 0.00 C ATOM 1043 OD1 ASN A 67 12.728 6.764 2.110 1.00 0.00 O ATOM 1044 ND2 ASN A 67 13.561 8.834 2.005 1.00 0.00 N ATOM 0 H ASN A 67 8.722 9.088 2.708 1.00 0.00 H new ATOM 0 HA ASN A 67 10.209 7.304 0.906 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.132 9.512 1.732 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.081 8.874 3.364 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.516 8.490 1.901 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.379 9.838 2.019 1.00 0.00 H new ATOM 1051 N PRO A 68 10.055 5.261 2.373 1.00 0.00 N ATOM 1052 CA PRO A 68 9.953 4.051 3.200 1.00 0.00 C ATOM 1053 C PRO A 68 11.072 3.917 4.225 1.00 0.00 C ATOM 1054 O PRO A 68 11.107 2.960 4.999 1.00 0.00 O ATOM 1055 CB PRO A 68 10.012 2.903 2.184 1.00 0.00 C ATOM 1056 CG PRO A 68 9.700 3.533 0.869 1.00 0.00 C ATOM 1057 CD PRO A 68 10.228 4.933 0.951 1.00 0.00 C ATOM 0 HA PRO A 68 9.042 4.065 3.798 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.997 2.436 2.174 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.291 2.123 2.428 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.170 2.985 0.052 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.627 3.530 0.679 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.273 4.990 0.647 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.671 5.614 0.308 1.00 0.00 H new ATOM 1065 N ARG A 69 11.974 4.878 4.240 1.00 0.00 N ATOM 1066 CA ARG A 69 13.037 4.901 5.217 1.00 0.00 C ATOM 1067 C ARG A 69 12.575 5.542 6.519 1.00 0.00 C ATOM 1068 O ARG A 69 12.668 4.939 7.584 1.00 0.00 O ATOM 1069 CB ARG A 69 14.228 5.663 4.657 1.00 0.00 C ATOM 1070 CG ARG A 69 14.965 4.913 3.567 1.00 0.00 C ATOM 1071 CD ARG A 69 15.441 3.556 4.060 1.00 0.00 C ATOM 1072 NE ARG A 69 16.215 3.659 5.296 1.00 0.00 N ATOM 1073 CZ ARG A 69 16.710 2.606 5.951 1.00 0.00 C ATOM 1074 NH1 ARG A 69 16.477 1.372 5.517 1.00 0.00 N ATOM 1075 NH2 ARG A 69 17.427 2.786 7.050 1.00 0.00 N ATOM 0 H ARG A 69 11.989 5.656 3.581 1.00 0.00 H new ATOM 0 HA ARG A 69 13.328 3.873 5.433 1.00 0.00 H new ATOM 0 HB2 ARG A 69 13.885 6.619 4.261 1.00 0.00 H new ATOM 0 HB3 ARG A 69 14.922 5.884 5.468 1.00 0.00 H new ATOM 0 HG2 ARG A 69 14.310 4.781 2.706 1.00 0.00 H new ATOM 0 HG3 ARG A 69 15.819 5.501 3.231 1.00 0.00 H new ATOM 0 HD2 ARG A 69 14.580 2.909 4.225 1.00 0.00 H new ATOM 0 HD3 ARG A 69 16.051 3.085 3.289 1.00 0.00 H new ATOM 0 HE ARG A 69 16.387 4.588 5.680 1.00 0.00 H new ATOM 0 HH11 ARG A 69 15.916 1.224 4.678 1.00 0.00 H new ATOM 0 HH12 ARG A 69 16.859 0.573 6.023 1.00 0.00 H new ATOM 0 HH21 ARG A 69 17.601 3.729 7.396 1.00 0.00 H new ATOM 0 HH22 ARG A 69 17.805 1.981 7.550 1.00 0.00 H new ATOM 1089 N LYS A 70 12.071 6.762 6.426 1.00 0.00 N ATOM 1090 CA LYS A 70 11.684 7.514 7.606 1.00 0.00 C ATOM 1091 C LYS A 70 10.187 7.801 7.594 1.00 0.00 C ATOM 1092 O LYS A 70 9.555 7.869 6.539 1.00 0.00 O ATOM 1093 CB LYS A 70 12.469 8.819 7.649 1.00 0.00 C ATOM 1094 CG LYS A 70 11.969 9.848 6.653 1.00 0.00 C ATOM 1095 CD LYS A 70 13.099 10.691 6.111 1.00 0.00 C ATOM 1096 CE LYS A 70 13.786 11.495 7.209 1.00 0.00 C ATOM 1097 NZ LYS A 70 14.796 12.444 6.669 1.00 0.00 N ATOM 0 H LYS A 70 11.921 7.252 5.544 1.00 0.00 H new ATOM 0 HA LYS A 70 11.908 6.923 8.494 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.412 9.237 8.654 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.520 8.610 7.450 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.464 9.343 5.830 1.00 0.00 H new ATOM 0 HG3 LYS A 70 11.232 10.492 7.133 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.830 10.047 5.621 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.713 11.370 5.351 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.036 12.049 7.773 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.270 10.812 7.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.247 12.955 7.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.519 11.917 6.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.329 13.125 6.036 1.00 0.00 H new ATOM 1111 N LEU A 71 9.636 7.999 8.774 1.00 0.00 N ATOM 1112 CA LEU A 71 8.202 8.200 8.922 1.00 0.00 C ATOM 1113 C LEU A 71 7.846 9.658 8.712 1.00 0.00 C ATOM 1114 O LEU A 71 6.892 9.978 8.004 1.00 0.00 O ATOM 1115 CB LEU A 71 7.743 7.727 10.308 1.00 0.00 C ATOM 1116 CG LEU A 71 6.257 7.927 10.625 1.00 0.00 C ATOM 1117 CD1 LEU A 71 5.390 7.010 9.777 1.00 0.00 C ATOM 1118 CD2 LEU A 71 5.989 7.690 12.103 1.00 0.00 C ATOM 0 H LEU A 71 10.158 8.026 9.650 1.00 0.00 H new ATOM 0 HA LEU A 71 7.686 7.610 8.164 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.976 6.666 10.404 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.329 8.252 11.062 1.00 0.00 H new ATOM 0 HG LEU A 71 5.998 8.958 10.385 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.340 7.172 10.022 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.554 7.228 8.722 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.653 5.972 9.979 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.929 7.837 12.309 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.272 6.670 12.365 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.574 8.393 12.696 1.00 0.00 H new ATOM 1130 N TYR A 72 8.637 10.540 9.292 1.00 0.00 N ATOM 1131 CA TYR A 72 8.393 11.962 9.172 1.00 0.00 C ATOM 1132 C TYR A 72 9.717 12.697 9.078 1.00 0.00 C ATOM 1133 O TYR A 72 10.770 12.148 9.409 1.00 0.00 O ATOM 1134 CB TYR A 72 7.567 12.484 10.359 1.00 0.00 C ATOM 1135 CG TYR A 72 8.347 12.675 11.644 1.00 0.00 C ATOM 1136 CD1 TYR A 72 8.530 11.630 12.541 1.00 0.00 C ATOM 1137 CD2 TYR A 72 8.885 13.916 11.965 1.00 0.00 C ATOM 1138 CE1 TYR A 72 9.230 11.817 13.718 1.00 0.00 C ATOM 1139 CE2 TYR A 72 9.588 14.108 13.133 1.00 0.00 C ATOM 1140 CZ TYR A 72 9.758 13.057 14.010 1.00 0.00 C ATOM 1141 OH TYR A 72 10.454 13.252 15.181 1.00 0.00 O ATOM 0 H TYR A 72 9.454 10.295 9.851 1.00 0.00 H new ATOM 0 HA TYR A 72 7.817 12.143 8.265 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.117 13.437 10.079 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.749 11.789 10.547 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.119 10.657 12.315 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.749 14.745 11.286 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.363 10.995 14.406 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.005 15.078 13.362 1.00 0.00 H new ATOM 0 HH TYR A 72 10.758 14.182 15.230 1.00 0.00 H new ATOM 1151 N ASP A 73 9.649 13.926 8.613 1.00 0.00 N ATOM 1152 CA ASP A 73 10.831 14.754 8.426 1.00 0.00 C ATOM 1153 C ASP A 73 10.415 16.215 8.442 1.00 0.00 C ATOM 1154 O ASP A 73 9.230 16.518 8.514 1.00 0.00 O ATOM 1155 CB ASP A 73 11.497 14.406 7.091 1.00 0.00 C ATOM 1156 CG ASP A 73 12.914 14.930 6.955 1.00 0.00 C ATOM 1157 OD1 ASP A 73 13.442 15.519 7.920 1.00 0.00 O ATOM 1158 OD2 ASP A 73 13.521 14.713 5.885 1.00 0.00 O ATOM 0 H ASP A 73 8.775 14.383 8.353 1.00 0.00 H new ATOM 0 HA ASP A 73 11.545 14.572 9.229 1.00 0.00 H new ATOM 0 HB2 ASP A 73 11.508 13.322 6.974 1.00 0.00 H new ATOM 0 HB3 ASP A 73 10.892 14.809 6.279 1.00 0.00 H new ATOM 1163 N TYR A 74 11.378 17.107 8.377 1.00 0.00 N ATOM 1164 CA TYR A 74 11.098 18.532 8.340 1.00 0.00 C ATOM 1165 C TYR A 74 11.056 19.002 6.899 1.00 0.00 C ATOM 1166 O TYR A 74 11.642 18.370 6.026 1.00 0.00 O ATOM 1167 CB TYR A 74 12.169 19.313 9.098 1.00 0.00 C ATOM 1168 CG TYR A 74 12.236 18.988 10.575 1.00 0.00 C ATOM 1169 CD1 TYR A 74 13.032 17.947 11.032 1.00 0.00 C ATOM 1170 CD2 TYR A 74 11.512 19.725 11.512 1.00 0.00 C ATOM 1171 CE1 TYR A 74 13.107 17.642 12.374 1.00 0.00 C ATOM 1172 CE2 TYR A 74 11.586 19.425 12.860 1.00 0.00 C ATOM 1173 CZ TYR A 74 12.385 18.384 13.284 1.00 0.00 C ATOM 1174 OH TYR A 74 12.461 18.078 14.623 1.00 0.00 O ATOM 0 H TYR A 74 12.370 16.872 8.348 1.00 0.00 H new ATOM 0 HA TYR A 74 10.134 18.709 8.817 1.00 0.00 H new ATOM 0 HB2 TYR A 74 13.140 19.110 8.647 1.00 0.00 H new ATOM 0 HB3 TYR A 74 11.979 20.380 8.979 1.00 0.00 H new ATOM 0 HD1 TYR A 74 13.603 17.365 10.323 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.886 20.540 11.181 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.728 16.826 12.711 1.00 0.00 H new ATOM 0 HE2 TYR A 74 11.021 20.003 13.577 1.00 0.00 H new ATOM 0 HH TYR A 74 11.894 18.695 15.132 1.00 0.00 H new ATOM 1184 N CYS A 75 10.364 20.098 6.652 1.00 0.00 N ATOM 1185 CA CYS A 75 10.289 20.658 5.314 1.00 0.00 C ATOM 1186 C CYS A 75 11.154 21.896 5.202 1.00 0.00 C ATOM 1187 O CYS A 75 11.612 22.441 6.206 1.00 0.00 O ATOM 1188 CB CYS A 75 8.852 21.005 4.957 1.00 0.00 C ATOM 1189 SG CYS A 75 7.755 19.568 4.851 1.00 0.00 S ATOM 0 H CYS A 75 9.846 20.619 7.359 1.00 0.00 H new ATOM 0 HA CYS A 75 10.656 19.906 4.616 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.459 21.695 5.703 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.842 21.529 4.001 1.00 0.00 H new ATOM 1194 N ASP A 76 11.351 22.348 3.980 1.00 0.00 N ATOM 1195 CA ASP A 76 12.212 23.490 3.722 1.00 0.00 C ATOM 1196 C ASP A 76 11.407 24.612 3.080 1.00 0.00 C ATOM 1197 O ASP A 76 11.597 24.953 1.911 1.00 0.00 O ATOM 1198 CB ASP A 76 13.392 23.077 2.833 1.00 0.00 C ATOM 1199 CG ASP A 76 14.437 24.168 2.691 1.00 0.00 C ATOM 1200 OD1 ASP A 76 15.095 24.508 3.697 1.00 0.00 O ATOM 1201 OD2 ASP A 76 14.611 24.688 1.566 1.00 0.00 O ATOM 0 H ASP A 76 10.926 21.942 3.146 1.00 0.00 H new ATOM 0 HA ASP A 76 12.616 23.855 4.666 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.860 22.185 3.251 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.019 22.808 1.845 1.00 0.00 H new ATOM 1206 N VAL A 77 10.471 25.154 3.841 1.00 0.00 N ATOM 1207 CA VAL A 77 9.681 26.282 3.389 1.00 0.00 C ATOM 1208 C VAL A 77 10.136 27.556 4.088 1.00 0.00 C ATOM 1209 O VAL A 77 10.225 27.614 5.313 1.00 0.00 O ATOM 1210 CB VAL A 77 8.168 26.054 3.614 1.00 0.00 C ATOM 1211 CG1 VAL A 77 7.878 25.606 5.028 1.00 0.00 C ATOM 1212 CG2 VAL A 77 7.374 27.303 3.274 1.00 0.00 C ATOM 0 H VAL A 77 10.240 24.827 4.779 1.00 0.00 H new ATOM 0 HA VAL A 77 9.839 26.386 2.315 1.00 0.00 H new ATOM 0 HB VAL A 77 7.855 25.255 2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.805 25.456 5.149 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.400 24.670 5.228 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.219 26.368 5.728 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.313 27.116 3.441 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.702 28.126 3.909 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.537 27.564 2.228 1.00 0.00 H new ATOM 1222 N PRO A 78 10.451 28.578 3.288 1.00 0.00 N ATOM 1223 CA PRO A 78 10.951 29.872 3.770 1.00 0.00 C ATOM 1224 C PRO A 78 10.028 30.558 4.757 1.00 0.00 C ATOM 1225 O PRO A 78 8.821 30.305 4.807 1.00 0.00 O ATOM 1226 CB PRO A 78 11.062 30.712 2.487 1.00 0.00 C ATOM 1227 CG PRO A 78 10.222 29.993 1.479 1.00 0.00 C ATOM 1228 CD PRO A 78 10.354 28.547 1.821 1.00 0.00 C ATOM 0 HA PRO A 78 11.886 29.746 4.315 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.702 31.728 2.648 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.097 30.790 2.155 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.182 30.317 1.530 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.568 30.191 0.465 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.494 27.969 1.483 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.237 28.100 1.365 1.00 0.00 H new ATOM 1236 N GLN A 79 10.626 31.440 5.534 1.00 0.00 N ATOM 1237 CA GLN A 79 9.917 32.184 6.539 1.00 0.00 C ATOM 1238 C GLN A 79 9.080 33.277 5.894 1.00 0.00 C ATOM 1239 O GLN A 79 9.605 34.215 5.291 1.00 0.00 O ATOM 1240 CB GLN A 79 10.895 32.779 7.550 1.00 0.00 C ATOM 1241 CG GLN A 79 10.207 33.583 8.621 1.00 0.00 C ATOM 1242 CD GLN A 79 9.204 32.751 9.382 1.00 0.00 C ATOM 1243 OE1 GLN A 79 8.156 33.252 9.770 1.00 0.00 O ATOM 1244 NE2 GLN A 79 9.516 31.470 9.583 1.00 0.00 N ATOM 0 H GLN A 79 11.621 31.657 5.480 1.00 0.00 H new ATOM 0 HA GLN A 79 9.248 31.506 7.069 1.00 0.00 H new ATOM 0 HB2 GLN A 79 11.465 31.974 8.015 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.610 33.415 7.027 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.950 33.980 9.312 1.00 0.00 H new ATOM 0 HG3 GLN A 79 9.703 34.437 8.169 1.00 0.00 H new ATOM 0 HE21 GLN A 79 10.403 31.101 9.239 1.00 0.00 H new ATOM 0 HE22 GLN A 79 8.868 30.859 10.080 1.00 0.00 H new ATOM 1253 N CYS A 80 7.778 33.124 6.011 1.00 0.00 N ATOM 1254 CA CYS A 80 6.836 34.080 5.477 1.00 0.00 C ATOM 1255 C CYS A 80 6.804 35.306 6.370 1.00 0.00 C ATOM 1256 O CYS A 80 6.794 36.439 5.897 1.00 0.00 O ATOM 1257 CB CYS A 80 5.445 33.455 5.404 1.00 0.00 C ATOM 1258 SG CYS A 80 4.477 33.932 3.938 1.00 0.00 S ATOM 0 H CYS A 80 7.343 32.330 6.481 1.00 0.00 H new ATOM 0 HA CYS A 80 7.145 34.370 4.473 1.00 0.00 H new ATOM 0 HB2 CYS A 80 5.547 32.370 5.419 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.888 33.735 6.298 1.00 0.00 H new ATOM 1263 N ALA A 81 6.807 35.063 7.673 1.00 0.00 N ATOM 1264 CA ALA A 81 6.787 36.148 8.653 1.00 0.00 C ATOM 1265 C ALA A 81 8.199 36.525 9.087 1.00 0.00 C ATOM 1266 O ALA A 81 8.520 36.512 10.277 1.00 0.00 O ATOM 1267 CB ALA A 81 5.950 35.762 9.863 1.00 0.00 C ATOM 0 H ALA A 81 6.823 34.127 8.079 1.00 0.00 H new ATOM 0 HA ALA A 81 6.334 37.018 8.177 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.948 36.583 10.581 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.928 35.554 9.547 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.374 34.873 10.330 1.00 0.00 H new ATOM 1273 N ALA A 82 9.042 36.849 8.120 1.00 0.00 N ATOM 1274 CA ALA A 82 10.416 37.231 8.400 1.00 0.00 C ATOM 1275 C ALA A 82 10.517 38.740 8.577 1.00 0.00 C ATOM 1276 O ALA A 82 10.452 39.462 7.561 1.00 0.00 O ATOM 1277 CB ALA A 82 11.338 36.755 7.289 1.00 0.00 C ATOM 1278 OXT ALA A 82 10.648 39.201 9.727 1.00 0.00 O ATOM 0 H ALA A 82 8.797 36.855 7.130 1.00 0.00 H new ATOM 0 HA ALA A 82 10.729 36.754 9.328 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.363 37.050 7.515 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.282 35.669 7.210 1.00 0.00 H new ATOM 0 HB3 ALA A 82 11.031 37.204 6.344 1.00 0.00 H new TER 1284 ALA A 82