USER MOD reduce.3.24.130724 H: found=0, std=0, add=456, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 455 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.24 USER MOD Single : A 11 LYS NZ :NH3+ 140:sc= 0.593 (180deg=-0.00818) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -155:sc= 1.26 (180deg=-0.392) USER MOD Single : A 19 LYS NZ :NH3+ -161:sc= -0.0932 (180deg=-0.79) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 94:sc= 0.788 USER MOD Single : A 28 ASN : amide:sc= -7.96! C(o=-8!,f=-5.8!) USER MOD Single : A 29 THR OG1 : rot -49:sc= -0.624 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot 180:sc= -1.12 USER MOD Single : A 39 CYS SG : rot 150:sc= -5.4! USER MOD Single : A 44 HIS : no HE2:sc= -1.13 K(o=-1.1,f=-3.5!) USER MOD Single : A 48 LYS NZ :NH3+ 159:sc= -0.0595 (180deg=-0.442) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 6:sc= 0.176 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -7.98! K(o=-8!,f=-2) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -167:sc=-0.00478 (180deg=-0.157) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 14.539 10.630 12.496 1.00 0.00 N ATOM 2 CA GLY A 9 13.619 11.030 11.438 1.00 0.00 C ATOM 3 C GLY A 9 12.483 10.023 11.293 1.00 0.00 C ATOM 4 O GLY A 9 11.749 9.760 12.245 1.00 0.00 O ATOM 0 HA2 GLY A 9 13.210 12.016 11.660 1.00 0.00 H new ATOM 0 HA3 GLY A 9 14.158 11.114 10.494 1.00 0.00 H new ATOM 8 N THR A 10 12.345 9.464 10.096 1.00 0.00 N ATOM 9 CA THR A 10 11.293 8.487 9.837 1.00 0.00 C ATOM 10 C THR A 10 11.665 7.131 10.429 1.00 0.00 C ATOM 11 O THR A 10 12.755 6.958 10.973 1.00 0.00 O ATOM 12 CB THR A 10 11.071 8.344 8.330 1.00 0.00 C ATOM 13 OG1 THR A 10 9.998 7.443 8.094 1.00 0.00 O ATOM 14 CG2 THR A 10 12.344 7.808 7.673 1.00 0.00 C ATOM 0 H THR A 10 12.943 9.668 9.295 1.00 0.00 H new ATOM 0 HA THR A 10 10.374 8.837 10.307 1.00 0.00 H new ATOM 0 HB THR A 10 10.828 9.318 7.905 1.00 0.00 H new ATOM 0 HG1 THR A 10 9.854 7.352 7.129 1.00 0.00 H new ATOM 0 HG21 THR A 10 12.184 7.707 6.600 1.00 0.00 H new ATOM 0 HG22 THR A 10 13.166 8.501 7.854 1.00 0.00 H new ATOM 0 HG23 THR A 10 12.590 6.834 8.097 1.00 0.00 H new ATOM 22 N LYS A 11 10.752 6.172 10.318 1.00 0.00 N ATOM 23 CA LYS A 11 10.993 4.835 10.846 1.00 0.00 C ATOM 24 C LYS A 11 11.901 4.044 9.907 1.00 0.00 C ATOM 25 O LYS A 11 13.125 4.176 9.955 1.00 0.00 O ATOM 26 CB LYS A 11 9.662 4.095 11.019 1.00 0.00 C ATOM 27 CG LYS A 11 8.753 4.360 9.809 1.00 0.00 C ATOM 28 CD LYS A 11 7.738 5.455 10.153 1.00 0.00 C ATOM 29 CE LYS A 11 6.934 5.817 8.902 1.00 0.00 C ATOM 30 NZ LYS A 11 5.970 4.722 8.597 1.00 0.00 N ATOM 0 H LYS A 11 9.844 6.295 9.870 1.00 0.00 H new ATOM 0 HA LYS A 11 11.485 4.929 11.814 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.842 3.025 11.122 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.169 4.425 11.934 1.00 0.00 H new ATOM 0 HG2 LYS A 11 9.353 4.664 8.951 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.233 3.445 9.526 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.069 5.111 10.941 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.253 6.336 10.535 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.399 6.754 9.059 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.605 5.971 8.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.065 5.132 8.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.354 4.123 7.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.817 4.146 9.450 1.00 0.00 H new ATOM 44 N LYS A 12 11.293 3.222 9.056 1.00 0.00 N ATOM 45 CA LYS A 12 12.053 2.410 8.108 1.00 0.00 C ATOM 46 C LYS A 12 11.463 2.531 6.708 1.00 0.00 C ATOM 47 O LYS A 12 12.187 2.743 5.736 1.00 0.00 O ATOM 48 CB LYS A 12 12.036 0.944 8.546 1.00 0.00 C ATOM 49 CG LYS A 12 12.379 0.850 10.036 1.00 0.00 C ATOM 50 CD LYS A 12 12.789 -0.584 10.378 1.00 0.00 C ATOM 51 CE LYS A 12 11.679 -1.549 9.957 1.00 0.00 C ATOM 52 NZ LYS A 12 11.902 -2.874 10.603 1.00 0.00 N ATOM 0 H LYS A 12 10.282 3.100 9.003 1.00 0.00 H new ATOM 0 HA LYS A 12 13.081 2.772 8.090 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.054 0.510 8.360 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.754 0.370 7.960 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.189 1.538 10.277 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.519 1.147 10.637 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.719 -0.839 9.869 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.977 -0.674 11.448 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.707 -1.150 10.246 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.669 -1.658 8.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.148 -3.531 10.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.823 -3.254 10.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 11.891 -2.762 11.637 1.00 0.00 H new ATOM 66 N TYR A 13 10.144 2.390 6.613 1.00 0.00 N ATOM 67 CA TYR A 13 9.462 2.479 5.325 1.00 0.00 C ATOM 68 C TYR A 13 8.283 3.443 5.414 1.00 0.00 C ATOM 69 O TYR A 13 7.697 3.629 6.480 1.00 0.00 O ATOM 70 CB TYR A 13 8.965 1.091 4.905 1.00 0.00 C ATOM 71 CG TYR A 13 10.065 0.354 4.175 1.00 0.00 C ATOM 72 CD1 TYR A 13 11.196 -0.090 4.868 1.00 0.00 C ATOM 73 CD2 TYR A 13 9.953 0.118 2.798 1.00 0.00 C ATOM 74 CE1 TYR A 13 12.215 -0.771 4.189 1.00 0.00 C ATOM 75 CE2 TYR A 13 10.969 -0.563 2.120 1.00 0.00 C ATOM 76 CZ TYR A 13 12.099 -1.006 2.813 1.00 0.00 C ATOM 77 OH TYR A 13 13.103 -1.678 2.144 1.00 0.00 O ATOM 0 H TYR A 13 9.529 2.215 7.407 1.00 0.00 H new ATOM 0 HA TYR A 13 10.165 2.852 4.581 1.00 0.00 H new ATOM 0 HB2 TYR A 13 8.655 0.524 5.783 1.00 0.00 H new ATOM 0 HB3 TYR A 13 8.090 1.187 4.262 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.284 0.093 5.929 1.00 0.00 H new ATOM 0 HD2 TYR A 13 9.082 0.462 2.260 1.00 0.00 H new ATOM 0 HE1 TYR A 13 13.088 -1.114 4.725 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.880 -0.747 1.059 1.00 0.00 H new ATOM 0 HH TYR A 13 12.867 -1.759 1.196 1.00 0.00 H new ATOM 87 N ASP A 14 7.939 4.050 4.282 1.00 0.00 N ATOM 88 CA ASP A 14 6.827 4.992 4.234 1.00 0.00 C ATOM 89 C ASP A 14 6.239 5.047 2.829 1.00 0.00 C ATOM 90 O ASP A 14 6.868 5.557 1.901 1.00 0.00 O ATOM 91 CB ASP A 14 7.305 6.388 4.644 1.00 0.00 C ATOM 92 CG ASP A 14 6.108 7.312 4.838 1.00 0.00 C ATOM 93 OD1 ASP A 14 5.031 6.804 5.105 1.00 0.00 O ATOM 94 OD2 ASP A 14 6.285 8.512 4.719 1.00 0.00 O ATOM 0 H ASP A 14 8.412 3.907 3.390 1.00 0.00 H new ATOM 0 HA ASP A 14 6.057 4.655 4.928 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.882 6.328 5.567 1.00 0.00 H new ATOM 0 HB3 ASP A 14 7.968 6.794 3.880 1.00 0.00 H new ATOM 99 N LEU A 15 5.029 4.513 2.678 1.00 0.00 N ATOM 100 CA LEU A 15 4.359 4.501 1.380 1.00 0.00 C ATOM 101 C LEU A 15 3.004 5.195 1.475 1.00 0.00 C ATOM 102 O LEU A 15 1.966 4.582 1.225 1.00 0.00 O ATOM 103 CB LEU A 15 4.156 3.059 0.903 1.00 0.00 C ATOM 104 CG LEU A 15 5.427 2.236 1.141 1.00 0.00 C ATOM 105 CD1 LEU A 15 5.107 0.751 0.975 1.00 0.00 C ATOM 106 CD2 LEU A 15 6.498 2.635 0.123 1.00 0.00 C ATOM 0 H LEU A 15 4.495 4.085 3.434 1.00 0.00 H new ATOM 0 HA LEU A 15 4.987 5.034 0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.318 2.608 1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.903 3.052 -0.157 1.00 0.00 H new ATOM 0 HG LEU A 15 5.795 2.425 2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.009 0.163 1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.344 0.460 1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.739 0.569 -0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.400 2.048 0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.130 2.447 -0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.728 3.695 0.233 1.00 0.00 H new ATOM 118 N SER A 16 3.019 6.477 1.834 1.00 0.00 N ATOM 119 CA SER A 16 1.781 7.241 1.954 1.00 0.00 C ATOM 120 C SER A 16 0.824 6.878 0.824 1.00 0.00 C ATOM 121 O SER A 16 -0.346 6.577 1.058 1.00 0.00 O ATOM 122 CB SER A 16 2.087 8.738 1.907 1.00 0.00 C ATOM 123 OG SER A 16 0.957 9.433 1.395 1.00 0.00 O ATOM 0 H SER A 16 3.867 7.004 2.045 1.00 0.00 H new ATOM 0 HA SER A 16 1.312 6.998 2.907 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.331 9.102 2.905 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.958 8.923 1.278 1.00 0.00 H new ATOM 0 HG SER A 16 1.150 10.393 1.365 1.00 0.00 H new ATOM 129 N LYS A 17 1.338 6.895 -0.401 1.00 0.00 N ATOM 130 CA LYS A 17 0.533 6.553 -1.565 1.00 0.00 C ATOM 131 C LYS A 17 1.442 6.281 -2.760 1.00 0.00 C ATOM 132 O LYS A 17 2.303 7.094 -3.093 1.00 0.00 O ATOM 133 CB LYS A 17 -0.430 7.703 -1.890 1.00 0.00 C ATOM 134 CG LYS A 17 -1.743 7.145 -2.452 1.00 0.00 C ATOM 135 CD LYS A 17 -1.456 6.292 -3.690 1.00 0.00 C ATOM 136 CE LYS A 17 -2.726 6.170 -4.536 1.00 0.00 C ATOM 137 NZ LYS A 17 -2.560 5.071 -5.528 1.00 0.00 N ATOM 0 H LYS A 17 2.305 7.141 -0.612 1.00 0.00 H new ATOM 0 HA LYS A 17 -0.047 5.656 -1.347 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.629 8.287 -0.991 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.027 8.378 -2.614 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.248 6.545 -1.695 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.415 7.963 -2.711 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.657 6.744 -4.278 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.110 5.303 -3.390 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.584 5.969 -3.895 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.925 7.111 -5.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.183 5.242 -6.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.571 5.039 -5.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.810 4.164 -5.086 1.00 0.00 H new ATOM 151 N TRP A 18 1.242 5.131 -3.399 1.00 0.00 N ATOM 152 CA TRP A 18 2.047 4.749 -4.558 1.00 0.00 C ATOM 153 C TRP A 18 1.144 4.530 -5.770 1.00 0.00 C ATOM 154 O TRP A 18 -0.075 4.418 -5.633 1.00 0.00 O ATOM 155 CB TRP A 18 2.812 3.451 -4.251 1.00 0.00 C ATOM 156 CG TRP A 18 4.192 3.753 -3.741 1.00 0.00 C ATOM 157 CD1 TRP A 18 4.525 4.789 -2.938 1.00 0.00 C ATOM 158 CD2 TRP A 18 5.424 3.014 -3.984 1.00 0.00 C ATOM 159 NE1 TRP A 18 5.882 4.735 -2.676 1.00 0.00 N ATOM 160 CE2 TRP A 18 6.481 3.659 -3.299 1.00 0.00 C ATOM 161 CE3 TRP A 18 5.725 1.859 -4.726 1.00 0.00 C ATOM 162 CZ2 TRP A 18 7.789 3.173 -3.348 1.00 0.00 C ATOM 163 CZ3 TRP A 18 7.040 1.368 -4.779 1.00 0.00 C ATOM 164 CH2 TRP A 18 8.069 2.024 -4.091 1.00 0.00 C ATOM 0 H TRP A 18 0.531 4.448 -3.135 1.00 0.00 H new ATOM 0 HA TRP A 18 2.756 5.548 -4.777 1.00 0.00 H new ATOM 0 HB2 TRP A 18 2.265 2.868 -3.510 1.00 0.00 H new ATOM 0 HB3 TRP A 18 2.878 2.841 -5.152 1.00 0.00 H new ATOM 0 HD1 TRP A 18 3.842 5.537 -2.562 1.00 0.00 H new ATOM 0 HE1 TRP A 18 6.379 5.408 -2.093 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.939 1.345 -5.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 8.579 3.682 -2.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 7.259 0.480 -5.353 1.00 0.00 H new ATOM 0 HH2 TRP A 18 9.078 1.642 -4.135 1.00 0.00 H new ATOM 175 N LYS A 19 1.747 4.456 -6.951 1.00 0.00 N ATOM 176 CA LYS A 19 0.984 4.237 -8.177 1.00 0.00 C ATOM 177 C LYS A 19 1.011 2.757 -8.552 1.00 0.00 C ATOM 178 O LYS A 19 1.887 2.013 -8.111 1.00 0.00 O ATOM 179 CB LYS A 19 1.565 5.074 -9.323 1.00 0.00 C ATOM 180 CG LYS A 19 2.045 6.423 -8.783 1.00 0.00 C ATOM 181 CD LYS A 19 0.879 7.151 -8.111 1.00 0.00 C ATOM 182 CE LYS A 19 1.293 8.587 -7.785 1.00 0.00 C ATOM 183 NZ LYS A 19 2.676 8.590 -7.231 1.00 0.00 N ATOM 0 H LYS A 19 2.754 4.543 -7.087 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.048 4.544 -8.005 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.394 4.543 -9.791 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.810 5.228 -10.094 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.854 6.273 -8.068 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.446 7.029 -9.595 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.010 7.152 -8.769 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.588 6.629 -7.199 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.248 9.203 -8.683 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.600 9.022 -7.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.843 9.480 -6.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.790 7.788 -6.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.362 8.504 -8.008 1.00 0.00 H new ATOM 197 N TYR A 20 0.049 2.335 -9.363 1.00 0.00 N ATOM 198 CA TYR A 20 -0.021 0.940 -9.784 1.00 0.00 C ATOM 199 C TYR A 20 1.210 0.563 -10.604 1.00 0.00 C ATOM 200 O TYR A 20 1.746 -0.538 -10.472 1.00 0.00 O ATOM 201 CB TYR A 20 -1.284 0.709 -10.619 1.00 0.00 C ATOM 202 CG TYR A 20 -1.209 1.531 -11.883 1.00 0.00 C ATOM 203 CD1 TYR A 20 -0.551 1.024 -13.009 1.00 0.00 C ATOM 204 CD2 TYR A 20 -1.799 2.799 -11.929 1.00 0.00 C ATOM 205 CE1 TYR A 20 -0.481 1.787 -14.181 1.00 0.00 C ATOM 206 CE2 TYR A 20 -1.730 3.561 -13.102 1.00 0.00 C ATOM 207 CZ TYR A 20 -1.072 3.055 -14.227 1.00 0.00 C ATOM 208 OH TYR A 20 -1.004 3.805 -15.383 1.00 0.00 O ATOM 0 H TYR A 20 -0.687 2.932 -9.740 1.00 0.00 H new ATOM 0 HA TYR A 20 -0.054 0.313 -8.893 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.382 -0.348 -10.865 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.168 0.985 -10.045 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.097 0.045 -12.974 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.307 3.190 -11.060 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.029 1.397 -15.049 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.185 4.540 -13.138 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.465 4.659 -15.247 1.00 0.00 H new ATOM 218 N ALA A 21 1.645 1.486 -11.456 1.00 0.00 N ATOM 219 CA ALA A 21 2.808 1.247 -12.304 1.00 0.00 C ATOM 220 C ALA A 21 4.044 0.925 -11.467 1.00 0.00 C ATOM 221 O ALA A 21 4.636 -0.144 -11.606 1.00 0.00 O ATOM 222 CB ALA A 21 3.083 2.480 -13.167 1.00 0.00 C ATOM 0 H ALA A 21 1.213 2.402 -11.577 1.00 0.00 H new ATOM 0 HA ALA A 21 2.591 0.390 -12.942 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.952 2.296 -13.798 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.216 2.685 -13.795 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.277 3.338 -12.524 1.00 0.00 H new ATOM 228 N GLU A 22 4.437 1.861 -10.608 1.00 0.00 N ATOM 229 CA GLU A 22 5.613 1.663 -9.768 1.00 0.00 C ATOM 230 C GLU A 22 5.426 0.464 -8.842 1.00 0.00 C ATOM 231 O GLU A 22 6.372 -0.278 -8.579 1.00 0.00 O ATOM 232 CB GLU A 22 5.889 2.918 -8.938 1.00 0.00 C ATOM 233 CG GLU A 22 4.711 3.186 -8.002 1.00 0.00 C ATOM 234 CD GLU A 22 4.905 4.521 -7.292 1.00 0.00 C ATOM 235 OE1 GLU A 22 5.538 5.390 -7.868 1.00 0.00 O ATOM 236 OE2 GLU A 22 4.417 4.655 -6.183 1.00 0.00 O ATOM 0 H GLU A 22 3.964 2.755 -10.476 1.00 0.00 H new ATOM 0 HA GLU A 22 6.464 1.469 -10.420 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.804 2.789 -8.359 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.046 3.773 -9.595 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.780 3.198 -8.569 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.628 2.383 -7.269 1.00 0.00 H new ATOM 243 N LEU A 23 4.206 0.278 -8.348 1.00 0.00 N ATOM 244 CA LEU A 23 3.928 -0.840 -7.453 1.00 0.00 C ATOM 245 C LEU A 23 4.329 -2.157 -8.112 1.00 0.00 C ATOM 246 O LEU A 23 5.123 -2.920 -7.561 1.00 0.00 O ATOM 247 CB LEU A 23 2.430 -0.875 -7.105 1.00 0.00 C ATOM 248 CG LEU A 23 2.192 -0.262 -5.718 1.00 0.00 C ATOM 249 CD1 LEU A 23 0.731 0.176 -5.595 1.00 0.00 C ATOM 250 CD2 LEU A 23 2.500 -1.300 -4.634 1.00 0.00 C ATOM 0 H LEU A 23 3.405 0.877 -8.548 1.00 0.00 H new ATOM 0 HA LEU A 23 4.508 -0.707 -6.540 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.862 -0.325 -7.856 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.069 -1.903 -7.123 1.00 0.00 H new ATOM 0 HG LEU A 23 2.846 0.601 -5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.563 0.611 -4.610 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.508 0.918 -6.362 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.080 -0.688 -5.726 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.330 -0.861 -3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.849 -2.165 -4.763 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.541 -1.614 -4.716 1.00 0.00 H new ATOM 262 N ARG A 24 3.777 -2.414 -9.292 1.00 0.00 N ATOM 263 CA ARG A 24 4.084 -3.642 -10.014 1.00 0.00 C ATOM 264 C ARG A 24 5.569 -3.714 -10.352 1.00 0.00 C ATOM 265 O ARG A 24 6.228 -4.723 -10.098 1.00 0.00 O ATOM 266 CB ARG A 24 3.263 -3.710 -11.303 1.00 0.00 C ATOM 267 CG ARG A 24 3.320 -5.129 -11.873 1.00 0.00 C ATOM 268 CD ARG A 24 2.396 -5.229 -13.087 1.00 0.00 C ATOM 269 NE ARG A 24 2.451 -6.572 -13.655 1.00 0.00 N ATOM 270 CZ ARG A 24 2.045 -6.811 -14.897 1.00 0.00 C ATOM 271 NH1 ARG A 24 1.588 -5.835 -15.633 1.00 0.00 N ATOM 272 NH2 ARG A 24 2.104 -8.021 -15.382 1.00 0.00 N ATOM 0 H ARG A 24 3.120 -1.794 -9.766 1.00 0.00 H new ATOM 0 HA ARG A 24 3.829 -4.487 -9.374 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.229 -3.429 -11.103 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.652 -2.999 -12.032 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.342 -5.376 -12.159 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.019 -5.850 -11.113 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.373 -4.992 -12.795 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.691 -4.496 -13.838 1.00 0.00 H new ATOM 0 HE ARG A 24 2.808 -7.341 -13.088 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.543 -4.889 -15.255 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.276 -6.018 -16.587 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.462 -8.784 -14.807 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.792 -8.204 -16.336 1.00 0.00 H new ATOM 286 N ASP A 25 6.091 -2.641 -10.932 1.00 0.00 N ATOM 287 CA ASP A 25 7.497 -2.601 -11.305 1.00 0.00 C ATOM 288 C ASP A 25 8.390 -2.877 -10.100 1.00 0.00 C ATOM 289 O ASP A 25 9.243 -3.763 -10.137 1.00 0.00 O ATOM 290 CB ASP A 25 7.842 -1.231 -11.895 1.00 0.00 C ATOM 291 CG ASP A 25 9.184 -1.298 -12.618 1.00 0.00 C ATOM 292 OD1 ASP A 25 9.262 -1.993 -13.617 1.00 0.00 O ATOM 293 OD2 ASP A 25 10.112 -0.652 -12.160 1.00 0.00 O ATOM 0 H ASP A 25 5.567 -1.794 -11.152 1.00 0.00 H new ATOM 0 HA ASP A 25 7.672 -3.376 -12.051 1.00 0.00 H new ATOM 0 HB2 ASP A 25 7.061 -0.917 -12.588 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.883 -0.484 -11.102 1.00 0.00 H new ATOM 298 N THR A 26 8.193 -2.109 -9.035 1.00 0.00 N ATOM 299 CA THR A 26 8.995 -2.276 -7.828 1.00 0.00 C ATOM 300 C THR A 26 8.875 -3.692 -7.271 1.00 0.00 C ATOM 301 O THR A 26 9.841 -4.235 -6.735 1.00 0.00 O ATOM 302 CB THR A 26 8.554 -1.272 -6.763 1.00 0.00 C ATOM 303 OG1 THR A 26 8.373 0.003 -7.362 1.00 0.00 O ATOM 304 CG2 THR A 26 9.627 -1.182 -5.678 1.00 0.00 C ATOM 0 H THR A 26 7.491 -1.371 -8.982 1.00 0.00 H new ATOM 0 HA THR A 26 10.037 -2.098 -8.094 1.00 0.00 H new ATOM 0 HB THR A 26 7.614 -1.599 -6.318 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.432 0.116 -7.613 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.316 -0.467 -4.917 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.765 -2.162 -5.221 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.567 -0.853 -6.122 1.00 0.00 H new ATOM 312 N ILE A 27 7.690 -4.287 -7.387 1.00 0.00 N ATOM 313 CA ILE A 27 7.483 -5.638 -6.871 1.00 0.00 C ATOM 314 C ILE A 27 8.078 -6.678 -7.821 1.00 0.00 C ATOM 315 O ILE A 27 8.369 -7.803 -7.415 1.00 0.00 O ATOM 316 CB ILE A 27 5.978 -5.897 -6.650 1.00 0.00 C ATOM 317 CG1 ILE A 27 5.766 -6.545 -5.274 1.00 0.00 C ATOM 318 CG2 ILE A 27 5.420 -6.825 -7.738 1.00 0.00 C ATOM 319 CD1 ILE A 27 4.304 -6.971 -5.120 1.00 0.00 C ATOM 0 H ILE A 27 6.872 -3.864 -7.826 1.00 0.00 H new ATOM 0 HA ILE A 27 7.995 -5.726 -5.913 1.00 0.00 H new ATOM 0 HB ILE A 27 5.452 -4.944 -6.699 1.00 0.00 H new ATOM 0 HG12 ILE A 27 6.420 -7.410 -5.165 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.034 -5.842 -4.486 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.358 -6.994 -7.562 1.00 0.00 H new ATOM 0 HG22 ILE A 27 5.557 -6.363 -8.716 1.00 0.00 H new ATOM 0 HG23 ILE A 27 5.948 -7.778 -7.710 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.160 -7.430 -4.142 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.659 -6.097 -5.209 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.051 -7.690 -5.899 1.00 0.00 H new ATOM 331 N ASN A 28 8.250 -6.300 -9.086 1.00 0.00 N ATOM 332 CA ASN A 28 8.804 -7.218 -10.079 1.00 0.00 C ATOM 333 C ASN A 28 10.262 -6.872 -10.390 1.00 0.00 C ATOM 334 O ASN A 28 10.924 -7.580 -11.150 1.00 0.00 O ATOM 335 CB ASN A 28 7.957 -7.173 -11.363 1.00 0.00 C ATOM 336 CG ASN A 28 8.699 -6.439 -12.477 1.00 0.00 C ATOM 337 OD1 ASN A 28 8.899 -6.990 -13.560 1.00 0.00 O ATOM 338 ND2 ASN A 28 9.120 -5.222 -12.275 1.00 0.00 N ATOM 0 H ASN A 28 8.017 -5.374 -9.445 1.00 0.00 H new ATOM 0 HA ASN A 28 8.778 -8.228 -9.670 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.721 -8.188 -11.684 1.00 0.00 H new ATOM 0 HB3 ASN A 28 7.009 -6.674 -11.161 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.616 -4.725 -13.015 1.00 0.00 H new ATOM 0 HD22 ASN A 28 8.953 -4.767 -11.377 1.00 0.00 H new ATOM 345 N THR A 29 10.756 -5.787 -9.796 1.00 0.00 N ATOM 346 CA THR A 29 12.140 -5.367 -10.018 1.00 0.00 C ATOM 347 C THR A 29 12.935 -5.449 -8.719 1.00 0.00 C ATOM 348 O THR A 29 14.035 -6.000 -8.685 1.00 0.00 O ATOM 349 CB THR A 29 12.183 -3.929 -10.549 1.00 0.00 C ATOM 350 OG1 THR A 29 11.423 -3.089 -9.692 1.00 0.00 O ATOM 351 CG2 THR A 29 11.604 -3.869 -11.971 1.00 0.00 C ATOM 0 H THR A 29 10.226 -5.188 -9.164 1.00 0.00 H new ATOM 0 HA THR A 29 12.585 -6.036 -10.755 1.00 0.00 H new ATOM 0 HB THR A 29 13.219 -3.590 -10.576 1.00 0.00 H new ATOM 0 HG1 THR A 29 10.548 -3.498 -9.525 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.641 -2.842 -12.336 1.00 0.00 H new ATOM 0 HG22 THR A 29 12.190 -4.509 -12.630 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.570 -4.213 -11.957 1.00 0.00 H new ATOM 359 N SER A 30 12.368 -4.899 -7.650 1.00 0.00 N ATOM 360 CA SER A 30 13.028 -4.918 -6.351 1.00 0.00 C ATOM 361 C SER A 30 12.575 -6.133 -5.546 1.00 0.00 C ATOM 362 O SER A 30 11.612 -6.805 -5.912 1.00 0.00 O ATOM 363 CB SER A 30 12.702 -3.632 -5.584 1.00 0.00 C ATOM 364 OG SER A 30 13.785 -2.720 -5.721 1.00 0.00 O ATOM 0 H SER A 30 11.458 -4.437 -7.658 1.00 0.00 H new ATOM 0 HA SER A 30 14.105 -4.981 -6.504 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.785 -3.187 -5.969 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.530 -3.856 -4.531 1.00 0.00 H new ATOM 0 HG SER A 30 13.581 -1.895 -5.234 1.00 0.00 H new ATOM 370 N CYS A 31 13.275 -6.408 -4.451 1.00 0.00 N ATOM 371 CA CYS A 31 12.929 -7.547 -3.608 1.00 0.00 C ATOM 372 C CYS A 31 13.482 -7.363 -2.198 1.00 0.00 C ATOM 373 O CYS A 31 14.684 -7.176 -2.010 1.00 0.00 O ATOM 374 CB CYS A 31 13.491 -8.834 -4.213 1.00 0.00 C ATOM 375 SG CYS A 31 12.949 -10.252 -3.228 1.00 0.00 S ATOM 0 H CYS A 31 14.076 -5.865 -4.129 1.00 0.00 H new ATOM 0 HA CYS A 31 11.842 -7.614 -3.552 1.00 0.00 H new ATOM 0 HB2 CYS A 31 13.152 -8.942 -5.243 1.00 0.00 H new ATOM 0 HB3 CYS A 31 14.580 -8.791 -4.239 1.00 0.00 H new ATOM 0 HG CYS A 31 13.425 -11.346 -3.744 1.00 0.00 H new ATOM 381 N ASP A 32 12.594 -7.425 -1.214 1.00 0.00 N ATOM 382 CA ASP A 32 12.993 -7.272 0.179 1.00 0.00 C ATOM 383 C ASP A 32 11.798 -7.521 1.095 1.00 0.00 C ATOM 384 O ASP A 32 10.711 -6.994 0.866 1.00 0.00 O ATOM 385 CB ASP A 32 13.549 -5.862 0.421 1.00 0.00 C ATOM 386 CG ASP A 32 14.657 -5.904 1.471 1.00 0.00 C ATOM 387 OD1 ASP A 32 15.641 -6.585 1.236 1.00 0.00 O ATOM 388 OD2 ASP A 32 14.502 -5.254 2.492 1.00 0.00 O ATOM 0 H ASP A 32 11.596 -7.580 -1.354 1.00 0.00 H new ATOM 0 HA ASP A 32 13.772 -8.001 0.401 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.937 -5.451 -0.511 1.00 0.00 H new ATOM 0 HB3 ASP A 32 12.749 -5.200 0.752 1.00 0.00 H new ATOM 393 N ILE A 33 12.007 -8.328 2.130 1.00 0.00 N ATOM 394 CA ILE A 33 10.938 -8.641 3.072 1.00 0.00 C ATOM 395 C ILE A 33 10.065 -7.413 3.327 1.00 0.00 C ATOM 396 O ILE A 33 8.843 -7.518 3.423 1.00 0.00 O ATOM 397 CB ILE A 33 11.536 -9.129 4.397 1.00 0.00 C ATOM 398 CG1 ILE A 33 12.779 -8.292 4.739 1.00 0.00 C ATOM 399 CG2 ILE A 33 11.930 -10.603 4.269 1.00 0.00 C ATOM 400 CD1 ILE A 33 12.932 -8.192 6.259 1.00 0.00 C ATOM 0 H ILE A 33 12.900 -8.775 2.337 1.00 0.00 H new ATOM 0 HA ILE A 33 10.319 -9.427 2.639 1.00 0.00 H new ATOM 0 HB ILE A 33 10.796 -9.020 5.190 1.00 0.00 H new ATOM 0 HG12 ILE A 33 13.668 -8.749 4.304 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.688 -7.296 4.307 1.00 0.00 H new ATOM 0 HG21 ILE A 33 12.355 -10.949 5.211 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.047 -11.196 4.029 1.00 0.00 H new ATOM 0 HG23 ILE A 33 12.669 -10.715 3.475 1.00 0.00 H new ATOM 0 HD11 ILE A 33 13.814 -7.598 6.498 1.00 0.00 H new ATOM 0 HD12 ILE A 33 12.048 -7.716 6.683 1.00 0.00 H new ATOM 0 HD13 ILE A 33 13.043 -9.191 6.680 1.00 0.00 H new ATOM 412 N GLU A 34 10.704 -6.254 3.437 1.00 0.00 N ATOM 413 CA GLU A 34 9.979 -5.014 3.688 1.00 0.00 C ATOM 414 C GLU A 34 9.254 -4.539 2.430 1.00 0.00 C ATOM 415 O GLU A 34 8.053 -4.275 2.460 1.00 0.00 O ATOM 416 CB GLU A 34 10.952 -3.929 4.165 1.00 0.00 C ATOM 417 CG GLU A 34 12.096 -4.574 4.955 1.00 0.00 C ATOM 418 CD GLU A 34 12.728 -3.549 5.892 1.00 0.00 C ATOM 419 OE1 GLU A 34 12.034 -3.079 6.778 1.00 0.00 O ATOM 420 OE2 GLU A 34 13.896 -3.249 5.707 1.00 0.00 O ATOM 0 H GLU A 34 11.715 -6.147 3.357 1.00 0.00 H new ATOM 0 HA GLU A 34 9.236 -5.204 4.462 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.350 -3.382 3.310 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.428 -3.206 4.790 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.720 -5.420 5.530 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.848 -4.964 4.269 1.00 0.00 H new ATOM 427 N LEU A 35 9.992 -4.425 1.329 1.00 0.00 N ATOM 428 CA LEU A 35 9.398 -3.973 0.075 1.00 0.00 C ATOM 429 C LEU A 35 8.187 -4.834 -0.275 1.00 0.00 C ATOM 430 O LEU A 35 7.099 -4.318 -0.535 1.00 0.00 O ATOM 431 CB LEU A 35 10.434 -4.055 -1.060 1.00 0.00 C ATOM 432 CG LEU A 35 10.246 -2.903 -2.070 1.00 0.00 C ATOM 433 CD1 LEU A 35 8.760 -2.684 -2.374 1.00 0.00 C ATOM 434 CD2 LEU A 35 10.844 -1.604 -1.511 1.00 0.00 C ATOM 0 H LEU A 35 10.989 -4.636 1.279 1.00 0.00 H new ATOM 0 HA LEU A 35 9.078 -2.938 0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.440 -4.015 -0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.340 -5.012 -1.574 1.00 0.00 H new ATOM 0 HG LEU A 35 10.761 -3.176 -2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.651 -1.868 -3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.337 -3.595 -2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.233 -2.433 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.705 -0.799 -2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.344 -1.345 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.909 -1.744 -1.325 1.00 0.00 H new ATOM 446 N LEU A 36 8.386 -6.147 -0.288 1.00 0.00 N ATOM 447 CA LEU A 36 7.309 -7.074 -0.616 1.00 0.00 C ATOM 448 C LEU A 36 6.194 -7.005 0.423 1.00 0.00 C ATOM 449 O LEU A 36 5.028 -6.818 0.079 1.00 0.00 O ATOM 450 CB LEU A 36 7.853 -8.502 -0.693 1.00 0.00 C ATOM 451 CG LEU A 36 9.103 -8.530 -1.577 1.00 0.00 C ATOM 452 CD1 LEU A 36 9.597 -9.971 -1.714 1.00 0.00 C ATOM 453 CD2 LEU A 36 8.769 -7.970 -2.964 1.00 0.00 C ATOM 0 H LEU A 36 9.279 -6.592 -0.076 1.00 0.00 H new ATOM 0 HA LEU A 36 6.898 -6.788 -1.584 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.094 -8.864 0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.093 -9.170 -1.099 1.00 0.00 H new ATOM 0 HG LEU A 36 9.881 -7.919 -1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.487 -9.992 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 36 9.840 -10.368 -0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.817 -10.581 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.661 -7.992 -3.590 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.989 -8.577 -3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.419 -6.942 -2.867 1.00 0.00 H new ATOM 465 N ALA A 37 6.554 -7.157 1.695 1.00 0.00 N ATOM 466 CA ALA A 37 5.560 -7.107 2.761 1.00 0.00 C ATOM 467 C ALA A 37 4.734 -5.831 2.655 1.00 0.00 C ATOM 468 O ALA A 37 3.504 -5.875 2.643 1.00 0.00 O ATOM 469 CB ALA A 37 6.246 -7.159 4.127 1.00 0.00 C ATOM 0 H ALA A 37 7.512 -7.313 2.009 1.00 0.00 H new ATOM 0 HA ALA A 37 4.901 -7.969 2.657 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.493 -7.121 4.914 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.815 -8.085 4.214 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.920 -6.308 4.228 1.00 0.00 H new ATOM 475 N ALA A 38 5.418 -4.695 2.575 1.00 0.00 N ATOM 476 CA ALA A 38 4.737 -3.412 2.468 1.00 0.00 C ATOM 477 C ALA A 38 3.860 -3.376 1.220 1.00 0.00 C ATOM 478 O ALA A 38 2.703 -2.960 1.274 1.00 0.00 O ATOM 479 CB ALA A 38 5.764 -2.279 2.414 1.00 0.00 C ATOM 0 H ALA A 38 6.436 -4.637 2.582 1.00 0.00 H new ATOM 0 HA ALA A 38 4.103 -3.281 3.345 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.247 -1.323 2.334 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.367 -2.291 3.322 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.411 -2.415 1.547 1.00 0.00 H new ATOM 485 N CYS A 39 4.419 -3.816 0.095 1.00 0.00 N ATOM 486 CA CYS A 39 3.673 -3.831 -1.158 1.00 0.00 C ATOM 487 C CYS A 39 2.368 -4.603 -0.988 1.00 0.00 C ATOM 488 O CYS A 39 1.292 -4.105 -1.317 1.00 0.00 O ATOM 489 CB CYS A 39 4.509 -4.480 -2.262 1.00 0.00 C ATOM 490 SG CYS A 39 3.769 -4.114 -3.873 1.00 0.00 S ATOM 0 H CYS A 39 5.376 -4.163 0.026 1.00 0.00 H new ATOM 0 HA CYS A 39 3.446 -2.802 -1.436 1.00 0.00 H new ATOM 0 HB2 CYS A 39 5.532 -4.105 -2.226 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.559 -5.558 -2.109 1.00 0.00 H new ATOM 0 HG CYS A 39 4.701 -4.070 -4.779 1.00 0.00 H new ATOM 496 N ARG A 40 2.473 -5.822 -0.470 1.00 0.00 N ATOM 497 CA ARG A 40 1.297 -6.655 -0.256 1.00 0.00 C ATOM 498 C ARG A 40 0.277 -5.924 0.610 1.00 0.00 C ATOM 499 O ARG A 40 -0.913 -5.898 0.296 1.00 0.00 O ATOM 500 CB ARG A 40 1.699 -7.966 0.420 1.00 0.00 C ATOM 501 CG ARG A 40 2.514 -8.817 -0.558 1.00 0.00 C ATOM 502 CD ARG A 40 2.833 -10.170 0.082 1.00 0.00 C ATOM 503 NE ARG A 40 1.663 -11.037 0.037 1.00 0.00 N ATOM 504 CZ ARG A 40 1.346 -11.709 -1.066 1.00 0.00 C ATOM 505 NH1 ARG A 40 2.088 -11.597 -2.134 1.00 0.00 N ATOM 506 NH2 ARG A 40 0.292 -12.479 -1.081 1.00 0.00 N ATOM 0 H ARG A 40 3.355 -6.253 -0.192 1.00 0.00 H new ATOM 0 HA ARG A 40 0.847 -6.872 -1.225 1.00 0.00 H new ATOM 0 HB2 ARG A 40 2.285 -7.761 1.316 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.810 -8.510 0.739 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.955 -8.963 -1.482 1.00 0.00 H new ATOM 0 HG3 ARG A 40 3.437 -8.302 -0.822 1.00 0.00 H new ATOM 0 HD2 ARG A 40 3.664 -10.641 -0.442 1.00 0.00 H new ATOM 0 HD3 ARG A 40 3.148 -10.026 1.115 1.00 0.00 H new ATOM 0 HE ARG A 40 1.077 -11.130 0.866 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.911 -10.994 -2.122 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.845 -12.112 -2.980 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.288 -12.565 -0.247 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.049 -12.994 -1.927 1.00 0.00 H new ATOM 520 N GLU A 41 0.752 -5.327 1.700 1.00 0.00 N ATOM 521 CA GLU A 41 -0.131 -4.595 2.599 1.00 0.00 C ATOM 522 C GLU A 41 -0.912 -3.536 1.827 1.00 0.00 C ATOM 523 O GLU A 41 -2.118 -3.379 2.019 1.00 0.00 O ATOM 524 CB GLU A 41 0.689 -3.926 3.707 1.00 0.00 C ATOM 525 CG GLU A 41 1.141 -4.979 4.720 1.00 0.00 C ATOM 526 CD GLU A 41 1.861 -4.307 5.885 1.00 0.00 C ATOM 527 OE1 GLU A 41 2.683 -3.443 5.628 1.00 0.00 O ATOM 528 OE2 GLU A 41 1.577 -4.665 7.016 1.00 0.00 O ATOM 0 H GLU A 41 1.733 -5.336 1.979 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.834 -5.298 3.046 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.556 -3.424 3.278 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.092 -3.162 4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.279 -5.536 5.087 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.804 -5.698 4.238 1.00 0.00 H new ATOM 535 N GLU A 42 -0.215 -2.816 0.954 1.00 0.00 N ATOM 536 CA GLU A 42 -0.855 -1.776 0.155 1.00 0.00 C ATOM 537 C GLU A 42 -1.951 -2.378 -0.718 1.00 0.00 C ATOM 538 O GLU A 42 -3.083 -1.892 -0.733 1.00 0.00 O ATOM 539 CB GLU A 42 0.182 -1.079 -0.727 1.00 0.00 C ATOM 540 CG GLU A 42 1.155 -0.292 0.153 1.00 0.00 C ATOM 541 CD GLU A 42 0.454 0.928 0.742 1.00 0.00 C ATOM 542 OE1 GLU A 42 -0.144 0.793 1.795 1.00 0.00 O ATOM 543 OE2 GLU A 42 0.527 1.981 0.128 1.00 0.00 O ATOM 0 H GLU A 42 0.784 -2.931 0.782 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.301 -1.045 0.830 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.725 -1.815 -1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.314 -0.408 -1.429 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.530 -0.929 0.954 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.018 0.022 -0.435 1.00 0.00 H new ATOM 550 N PHE A 43 -1.608 -3.437 -1.445 1.00 0.00 N ATOM 551 CA PHE A 43 -2.574 -4.099 -2.316 1.00 0.00 C ATOM 552 C PHE A 43 -3.845 -4.432 -1.537 1.00 0.00 C ATOM 553 O PHE A 43 -4.948 -4.074 -1.947 1.00 0.00 O ATOM 554 CB PHE A 43 -1.963 -5.383 -2.895 1.00 0.00 C ATOM 555 CG PHE A 43 -1.554 -5.155 -4.333 1.00 0.00 C ATOM 556 CD1 PHE A 43 -0.796 -4.030 -4.675 1.00 0.00 C ATOM 557 CD2 PHE A 43 -1.934 -6.070 -5.325 1.00 0.00 C ATOM 558 CE1 PHE A 43 -0.417 -3.818 -6.006 1.00 0.00 C ATOM 559 CE2 PHE A 43 -1.555 -5.857 -6.656 1.00 0.00 C ATOM 560 CZ PHE A 43 -0.798 -4.731 -6.997 1.00 0.00 C ATOM 0 H PHE A 43 -0.677 -3.853 -1.449 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.829 -3.425 -3.134 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.097 -5.682 -2.305 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.685 -6.198 -2.838 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.503 -3.324 -3.912 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.519 -6.939 -5.063 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.169 -2.950 -6.269 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -1.847 -6.562 -7.420 1.00 0.00 H new ATOM 0 HZ PHE A 43 -0.508 -4.566 -8.024 1.00 0.00 H new ATOM 570 N HIS A 44 -3.679 -5.117 -0.410 1.00 0.00 N ATOM 571 CA HIS A 44 -4.818 -5.492 0.418 1.00 0.00 C ATOM 572 C HIS A 44 -5.618 -4.253 0.809 1.00 0.00 C ATOM 573 O HIS A 44 -6.849 -4.263 0.786 1.00 0.00 O ATOM 574 CB HIS A 44 -4.334 -6.211 1.679 1.00 0.00 C ATOM 575 CG HIS A 44 -5.497 -6.893 2.346 1.00 0.00 C ATOM 576 ND1 HIS A 44 -6.654 -6.213 2.695 1.00 0.00 N ATOM 577 CD2 HIS A 44 -5.695 -8.194 2.736 1.00 0.00 C ATOM 578 CE1 HIS A 44 -7.489 -7.100 3.266 1.00 0.00 C ATOM 579 NE2 HIS A 44 -6.954 -8.323 3.317 1.00 0.00 N ATOM 0 H HIS A 44 -2.774 -5.421 -0.052 1.00 0.00 H new ATOM 0 HA HIS A 44 -5.459 -6.162 -0.155 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -3.568 -6.943 1.422 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -3.876 -5.498 2.364 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -6.838 -5.221 2.546 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -4.982 -8.996 2.611 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -8.472 -6.853 3.638 1.00 0.00 H new ATOM 587 N ARG A 45 -4.908 -3.187 1.168 1.00 0.00 N ATOM 588 CA ARG A 45 -5.562 -1.945 1.561 1.00 0.00 C ATOM 589 C ARG A 45 -6.342 -1.359 0.388 1.00 0.00 C ATOM 590 O ARG A 45 -7.513 -1.003 0.526 1.00 0.00 O ATOM 591 CB ARG A 45 -4.517 -0.934 2.038 1.00 0.00 C ATOM 592 CG ARG A 45 -5.201 0.400 2.346 1.00 0.00 C ATOM 593 CD ARG A 45 -4.254 1.285 3.161 1.00 0.00 C ATOM 594 NE ARG A 45 -4.705 2.673 3.123 1.00 0.00 N ATOM 595 CZ ARG A 45 -4.417 3.461 2.094 1.00 0.00 C ATOM 596 NH1 ARG A 45 -3.719 2.999 1.093 1.00 0.00 N ATOM 597 NH2 ARG A 45 -4.832 4.698 2.084 1.00 0.00 N ATOM 0 H ARG A 45 -3.889 -3.159 1.195 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.256 -2.160 2.374 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.012 -1.310 2.928 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -3.754 -0.795 1.272 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.476 0.902 1.418 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.123 0.228 2.901 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.215 0.935 4.193 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -3.242 1.212 2.762 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.251 3.044 3.901 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -3.394 2.032 1.101 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -3.498 3.605 0.303 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -5.377 5.059 2.867 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -4.611 5.304 1.294 1.00 0.00 H new ATOM 611 N ARG A 46 -5.688 -1.265 -0.766 1.00 0.00 N ATOM 612 CA ARG A 46 -6.332 -0.723 -1.955 1.00 0.00 C ATOM 613 C ARG A 46 -7.623 -1.480 -2.253 1.00 0.00 C ATOM 614 O ARG A 46 -8.649 -0.877 -2.571 1.00 0.00 O ATOM 615 CB ARG A 46 -5.392 -0.830 -3.160 1.00 0.00 C ATOM 616 CG ARG A 46 -5.934 0.025 -4.315 1.00 0.00 C ATOM 617 CD ARG A 46 -5.555 -0.613 -5.653 1.00 0.00 C ATOM 618 NE ARG A 46 -4.106 -0.718 -5.773 1.00 0.00 N ATOM 619 CZ ARG A 46 -3.376 0.303 -6.209 1.00 0.00 C ATOM 620 NH1 ARG A 46 -3.952 1.427 -6.536 1.00 0.00 N ATOM 621 NH2 ARG A 46 -2.080 0.181 -6.312 1.00 0.00 N ATOM 0 H ARG A 46 -4.720 -1.555 -0.902 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.566 0.325 -1.770 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.392 -0.495 -2.885 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.304 -1.870 -3.474 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.018 0.113 -4.237 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.527 1.034 -4.255 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.006 -1.602 -5.732 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.952 -0.015 -6.474 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.644 -1.591 -5.518 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -4.964 1.523 -6.457 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.390 2.210 -6.870 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -1.629 -0.698 -6.058 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.519 0.964 -6.647 1.00 0.00 H new ATOM 635 N LEU A 47 -7.561 -2.803 -2.155 1.00 0.00 N ATOM 636 CA LEU A 47 -8.728 -3.635 -2.421 1.00 0.00 C ATOM 637 C LEU A 47 -9.796 -3.432 -1.349 1.00 0.00 C ATOM 638 O LEU A 47 -10.991 -3.464 -1.638 1.00 0.00 O ATOM 639 CB LEU A 47 -8.315 -5.109 -2.456 1.00 0.00 C ATOM 640 CG LEU A 47 -7.431 -5.372 -3.685 1.00 0.00 C ATOM 641 CD1 LEU A 47 -6.526 -6.577 -3.416 1.00 0.00 C ATOM 642 CD2 LEU A 47 -8.310 -5.665 -4.906 1.00 0.00 C ATOM 0 H LEU A 47 -6.721 -3.320 -1.895 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.143 -3.345 -3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -7.774 -5.366 -1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -9.200 -5.744 -2.491 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.822 -4.490 -3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.899 -6.763 -4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.894 -6.372 -2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.140 -7.455 -3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -7.677 -5.851 -5.774 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -8.924 -6.544 -4.710 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.955 -4.809 -5.104 1.00 0.00 H new ATOM 654 N LYS A 48 -9.357 -3.228 -0.111 1.00 0.00 N ATOM 655 CA LYS A 48 -10.288 -3.027 0.994 1.00 0.00 C ATOM 656 C LYS A 48 -11.027 -1.701 0.848 1.00 0.00 C ATOM 657 O LYS A 48 -12.257 -1.659 0.885 1.00 0.00 O ATOM 658 CB LYS A 48 -9.531 -3.047 2.324 1.00 0.00 C ATOM 659 CG LYS A 48 -10.526 -3.216 3.475 1.00 0.00 C ATOM 660 CD LYS A 48 -9.812 -2.978 4.807 1.00 0.00 C ATOM 661 CE LYS A 48 -10.794 -3.203 5.959 1.00 0.00 C ATOM 662 NZ LYS A 48 -11.164 -4.645 6.024 1.00 0.00 N ATOM 0 H LYS A 48 -8.372 -3.198 0.151 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.018 -3.836 0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.808 -3.863 2.331 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -8.968 -2.122 2.448 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.351 -2.513 3.362 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.955 -4.218 3.454 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.962 -3.654 4.902 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.418 -1.963 4.844 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.344 -2.890 6.901 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.686 -2.594 5.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.524 -4.869 6.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.901 -4.846 5.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.326 -5.228 5.825 1.00 0.00 H new ATOM 676 N VAL A 49 -10.272 -0.619 0.686 1.00 0.00 N ATOM 677 CA VAL A 49 -10.873 0.702 0.540 1.00 0.00 C ATOM 678 C VAL A 49 -11.622 0.808 -0.785 1.00 0.00 C ATOM 679 O VAL A 49 -12.697 1.405 -0.854 1.00 0.00 O ATOM 680 CB VAL A 49 -9.789 1.779 0.605 1.00 0.00 C ATOM 681 CG1 VAL A 49 -8.961 1.596 1.878 1.00 0.00 C ATOM 682 CG2 VAL A 49 -8.878 1.658 -0.617 1.00 0.00 C ATOM 0 H VAL A 49 -9.253 -0.630 0.653 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.581 0.850 1.356 1.00 0.00 H new ATOM 0 HB VAL A 49 -10.256 2.764 0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.189 2.364 1.923 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -9.610 1.682 2.750 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.493 0.611 1.870 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.105 2.425 -0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.412 0.673 -0.627 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.467 1.790 -1.525 1.00 0.00 H new ATOM 692 N TYR A 50 -11.050 0.227 -1.834 1.00 0.00 N ATOM 693 CA TYR A 50 -11.678 0.267 -3.151 1.00 0.00 C ATOM 694 C TYR A 50 -13.017 -0.464 -3.125 1.00 0.00 C ATOM 695 O TYR A 50 -14.001 0.005 -3.698 1.00 0.00 O ATOM 696 CB TYR A 50 -10.760 -0.381 -4.190 1.00 0.00 C ATOM 697 CG TYR A 50 -11.455 -0.407 -5.531 1.00 0.00 C ATOM 698 CD1 TYR A 50 -11.335 0.683 -6.401 1.00 0.00 C ATOM 699 CD2 TYR A 50 -12.218 -1.520 -5.902 1.00 0.00 C ATOM 700 CE1 TYR A 50 -11.979 0.660 -7.644 1.00 0.00 C ATOM 701 CE2 TYR A 50 -12.862 -1.543 -7.146 1.00 0.00 C ATOM 702 CZ TYR A 50 -12.743 -0.453 -8.016 1.00 0.00 C ATOM 703 OH TYR A 50 -13.378 -0.475 -9.242 1.00 0.00 O ATOM 0 H TYR A 50 -10.161 -0.273 -1.800 1.00 0.00 H new ATOM 0 HA TYR A 50 -11.849 1.309 -3.420 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -9.826 0.176 -4.263 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -10.503 -1.395 -3.882 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -10.746 1.541 -6.114 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -12.310 -2.360 -5.230 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -11.887 1.501 -8.316 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -13.450 -2.402 -7.434 1.00 0.00 H new ATOM 0 HH TYR A 50 -13.864 -1.320 -9.343 1.00 0.00 H new ATOM 713 N HIS A 51 -13.047 -1.611 -2.455 1.00 0.00 N ATOM 714 CA HIS A 51 -14.271 -2.396 -2.359 1.00 0.00 C ATOM 715 C HIS A 51 -15.171 -1.850 -1.256 1.00 0.00 C ATOM 716 O HIS A 51 -16.392 -1.996 -1.308 1.00 0.00 O ATOM 717 CB HIS A 51 -13.931 -3.859 -2.066 1.00 0.00 C ATOM 718 CG HIS A 51 -15.167 -4.702 -2.225 1.00 0.00 C ATOM 719 ND1 HIS A 51 -15.799 -5.298 -1.144 1.00 0.00 N ATOM 720 CD2 HIS A 51 -15.898 -5.059 -3.330 1.00 0.00 C ATOM 721 CE1 HIS A 51 -16.861 -5.975 -1.618 1.00 0.00 C ATOM 722 NE2 HIS A 51 -16.968 -5.861 -2.945 1.00 0.00 N ATOM 0 H HIS A 51 -12.244 -2.015 -1.974 1.00 0.00 H new ATOM 0 HA HIS A 51 -14.800 -2.330 -3.310 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -13.152 -4.205 -2.745 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -13.539 -3.957 -1.054 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -15.676 -4.763 -4.345 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -17.543 -6.541 -1.001 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -17.681 -6.273 -3.547 1.00 0.00 H new ATOM 730 N ALA A 52 -14.558 -1.219 -0.259 1.00 0.00 N ATOM 731 CA ALA A 52 -15.312 -0.652 0.855 1.00 0.00 C ATOM 732 C ALA A 52 -15.659 0.809 0.580 1.00 0.00 C ATOM 733 O ALA A 52 -16.377 1.442 1.355 1.00 0.00 O ATOM 734 CB ALA A 52 -14.489 -0.746 2.142 1.00 0.00 C ATOM 0 H ALA A 52 -13.548 -1.088 -0.199 1.00 0.00 H new ATOM 0 HA ALA A 52 -16.236 -1.219 0.969 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -15.058 -0.321 2.969 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.265 -1.791 2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.558 -0.193 2.020 1.00 0.00 H new ATOM 740 N TRP A 53 -15.148 1.336 -0.527 1.00 0.00 N ATOM 741 CA TRP A 53 -15.414 2.723 -0.891 1.00 0.00 C ATOM 742 C TRP A 53 -16.903 3.033 -0.772 1.00 0.00 C ATOM 743 O TRP A 53 -17.291 4.165 -0.481 1.00 0.00 O ATOM 744 CB TRP A 53 -14.943 2.988 -2.326 1.00 0.00 C ATOM 745 CG TRP A 53 -15.897 2.368 -3.298 1.00 0.00 C ATOM 746 CD1 TRP A 53 -16.339 1.090 -3.248 1.00 0.00 C ATOM 747 CD2 TRP A 53 -16.532 2.976 -4.460 1.00 0.00 C ATOM 748 NE1 TRP A 53 -17.205 0.876 -4.305 1.00 0.00 N ATOM 749 CE2 TRP A 53 -17.357 2.008 -5.081 1.00 0.00 C ATOM 750 CE3 TRP A 53 -16.474 4.260 -5.031 1.00 0.00 C ATOM 751 CZ2 TRP A 53 -18.097 2.303 -6.227 1.00 0.00 C ATOM 752 CZ3 TRP A 53 -17.218 4.562 -6.183 1.00 0.00 C ATOM 753 CH2 TRP A 53 -18.027 3.584 -6.780 1.00 0.00 C ATOM 0 H TRP A 53 -14.553 0.830 -1.183 1.00 0.00 H new ATOM 0 HA TRP A 53 -14.866 3.370 -0.206 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -14.876 4.061 -2.504 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -13.944 2.578 -2.472 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -16.061 0.357 -2.505 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -17.675 -0.011 -4.489 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -15.853 5.019 -4.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -18.719 1.547 -6.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -17.167 5.552 -6.611 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -18.596 3.821 -7.667 1.00 0.00 H new ATOM 764 N LYS A 54 -17.733 2.019 -0.998 1.00 0.00 N ATOM 765 CA LYS A 54 -19.178 2.194 -0.914 1.00 0.00 C ATOM 766 C LYS A 54 -19.579 2.672 0.477 1.00 0.00 C ATOM 767 O LYS A 54 -20.500 3.476 0.627 1.00 0.00 O ATOM 768 CB LYS A 54 -19.882 0.871 -1.224 1.00 0.00 C ATOM 769 CG LYS A 54 -19.425 -0.198 -0.229 1.00 0.00 C ATOM 770 CD LYS A 54 -19.805 -1.585 -0.755 1.00 0.00 C ATOM 771 CE LYS A 54 -21.324 -1.672 -0.918 1.00 0.00 C ATOM 772 NZ LYS A 54 -21.729 -3.100 -1.040 1.00 0.00 N ATOM 0 H LYS A 54 -17.432 1.075 -1.239 1.00 0.00 H new ATOM 0 HA LYS A 54 -19.478 2.945 -1.644 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -20.963 1.000 -1.164 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -19.654 0.556 -2.242 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -18.347 -0.136 -0.083 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -19.888 -0.027 0.743 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -19.315 -1.770 -1.711 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -19.458 -2.355 -0.065 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -21.819 -1.214 -0.062 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -21.638 -1.117 -1.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -22.761 -3.160 -1.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -21.267 -3.522 -1.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -21.442 -3.617 -0.184 1.00 0.00 H new ATOM 786 N SER A 55 -18.883 2.172 1.494 1.00 0.00 N ATOM 787 CA SER A 55 -19.177 2.557 2.870 1.00 0.00 C ATOM 788 C SER A 55 -20.680 2.522 3.126 1.00 0.00 C ATOM 789 O SER A 55 -21.201 3.290 3.934 1.00 0.00 O ATOM 790 CB SER A 55 -18.644 3.962 3.145 1.00 0.00 C ATOM 791 OG SER A 55 -17.245 3.992 2.890 1.00 0.00 O ATOM 0 H SER A 55 -18.118 1.505 1.393 1.00 0.00 H new ATOM 0 HA SER A 55 -18.689 1.847 3.538 1.00 0.00 H new ATOM 0 HB2 SER A 55 -19.156 4.688 2.513 1.00 0.00 H new ATOM 0 HB3 SER A 55 -18.843 4.243 4.179 1.00 0.00 H new ATOM 0 HG SER A 55 -16.964 3.135 2.508 1.00 0.00 H new ATOM 797 N LYS A 56 -21.372 1.626 2.429 1.00 0.00 N ATOM 798 CA LYS A 56 -22.816 1.501 2.588 1.00 0.00 C ATOM 799 C LYS A 56 -23.499 2.844 2.349 1.00 0.00 C ATOM 800 O LYS A 56 -23.957 3.131 1.243 1.00 0.00 O ATOM 801 CB LYS A 56 -23.148 0.999 3.994 1.00 0.00 C ATOM 802 CG LYS A 56 -24.668 0.954 4.177 1.00 0.00 C ATOM 803 CD LYS A 56 -25.019 0.087 5.393 1.00 0.00 C ATOM 804 CE LYS A 56 -25.153 -1.379 4.964 1.00 0.00 C ATOM 805 NZ LYS A 56 -25.100 -2.254 6.170 1.00 0.00 N ATOM 0 H LYS A 56 -20.960 0.981 1.754 1.00 0.00 H new ATOM 0 HA LYS A 56 -23.182 0.784 1.853 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -22.724 0.007 4.147 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -22.701 1.655 4.741 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -25.057 1.963 4.314 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -25.140 0.549 3.282 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -24.246 0.183 6.155 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -25.952 0.431 5.840 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -26.093 -1.530 4.433 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -24.351 -1.642 4.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -25.191 -3.249 5.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -24.192 -2.117 6.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -25.880 -2.007 6.812 1.00 0.00 H new ATOM 819 N ASN A 57 -23.563 3.663 3.394 1.00 0.00 N ATOM 820 CA ASN A 57 -24.192 4.975 3.290 1.00 0.00 C ATOM 821 C ASN A 57 -23.165 6.032 2.898 1.00 0.00 C ATOM 822 O ASN A 57 -22.076 6.095 3.469 1.00 0.00 O ATOM 823 CB ASN A 57 -24.831 5.354 4.627 1.00 0.00 C ATOM 824 CG ASN A 57 -25.801 6.516 4.433 1.00 0.00 C ATOM 825 OD1 ASN A 57 -26.516 6.891 5.362 1.00 0.00 O ATOM 826 ND2 ASN A 57 -25.869 7.109 3.273 1.00 0.00 N ATOM 0 H ASN A 57 -23.189 3.443 4.317 1.00 0.00 H new ATOM 0 HA ASN A 57 -24.961 4.929 2.519 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -25.358 4.496 5.043 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -24.057 5.631 5.343 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -26.516 7.885 3.134 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -25.275 6.796 2.505 1.00 0.00 H new ATOM 833 N LYS A 58 -23.518 6.861 1.920 1.00 0.00 N ATOM 834 CA LYS A 58 -22.622 7.915 1.456 1.00 0.00 C ATOM 835 C LYS A 58 -23.426 9.118 0.972 1.00 0.00 C ATOM 836 O LYS A 58 -22.861 10.130 0.558 1.00 0.00 O ATOM 837 CB LYS A 58 -21.737 7.384 0.316 1.00 0.00 C ATOM 838 CG LYS A 58 -20.350 7.004 0.855 1.00 0.00 C ATOM 839 CD LYS A 58 -19.470 8.254 0.940 1.00 0.00 C ATOM 840 CE LYS A 58 -18.246 7.960 1.808 1.00 0.00 C ATOM 841 NZ LYS A 58 -17.415 9.191 1.928 1.00 0.00 N ATOM 0 H LYS A 58 -24.415 6.824 1.435 1.00 0.00 H new ATOM 0 HA LYS A 58 -21.988 8.228 2.286 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -22.207 6.515 -0.145 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -21.638 8.142 -0.461 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -20.445 6.546 1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.886 6.264 0.203 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -19.156 8.559 -0.058 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -20.038 9.083 1.363 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -18.560 7.623 2.796 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -17.659 7.154 1.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -16.582 8.992 2.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.105 9.494 0.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.977 9.948 2.367 1.00 0.00 H new ATOM 855 N LYS A 59 -24.749 8.997 1.027 1.00 0.00 N ATOM 856 CA LYS A 59 -25.629 10.079 0.593 1.00 0.00 C ATOM 857 C LYS A 59 -26.228 10.794 1.801 1.00 0.00 C ATOM 858 O LYS A 59 -27.374 11.239 1.766 1.00 0.00 O ATOM 859 CB LYS A 59 -26.756 9.513 -0.279 1.00 0.00 C ATOM 860 CG LYS A 59 -27.385 10.639 -1.110 1.00 0.00 C ATOM 861 CD LYS A 59 -26.618 10.805 -2.425 1.00 0.00 C ATOM 862 CE LYS A 59 -27.263 11.915 -3.256 1.00 0.00 C ATOM 863 NZ LYS A 59 -28.557 11.429 -3.814 1.00 0.00 N ATOM 0 H LYS A 59 -25.234 8.166 1.366 1.00 0.00 H new ATOM 0 HA LYS A 59 -25.044 10.794 0.014 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -26.364 8.738 -0.938 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -27.514 9.045 0.349 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -28.431 10.411 -1.315 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -27.366 11.572 -0.547 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -25.575 11.048 -2.222 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -26.624 9.868 -2.983 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -27.430 12.797 -2.638 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -26.595 12.214 -4.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -28.888 12.088 -4.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -28.423 10.486 -4.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -29.264 11.374 -3.054 1.00 0.00 H new ATOM 877 N ARG A 60 -25.441 10.902 2.867 1.00 0.00 N ATOM 878 CA ARG A 60 -25.902 11.566 4.080 1.00 0.00 C ATOM 879 C ARG A 60 -25.818 13.081 3.927 1.00 0.00 C ATOM 880 O ARG A 60 -26.648 13.762 4.507 1.00 0.00 O ATOM 881 CB ARG A 60 -25.051 11.123 5.273 1.00 0.00 C ATOM 882 CG ARG A 60 -24.855 9.607 5.225 1.00 0.00 C ATOM 883 CD ARG A 60 -24.271 9.124 6.554 1.00 0.00 C ATOM 884 NE ARG A 60 -23.279 10.074 7.042 1.00 0.00 N ATOM 885 CZ ARG A 60 -22.847 10.031 8.300 1.00 0.00 C ATOM 886 NH1 ARG A 60 -23.314 9.128 9.119 1.00 0.00 N ATOM 887 NH2 ARG A 60 -21.958 10.891 8.714 1.00 0.00 N ATOM 888 OXT ARG A 60 -24.925 13.537 3.233 1.00 0.00 O ATOM 0 H ARG A 60 -24.488 10.541 2.915 1.00 0.00 H new ATOM 0 HA ARG A 60 -26.942 11.287 4.252 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -24.084 11.626 5.251 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -25.537 11.408 6.206 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -25.807 9.113 5.033 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -24.188 9.342 4.405 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -25.067 9.009 7.289 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -23.813 8.143 6.424 1.00 0.00 H new ATOM 0 HE ARG A 60 -22.910 10.783 6.409 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -24.009 8.456 8.795 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -22.983 9.094 10.083 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -21.594 11.596 8.074 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -21.627 10.858 9.678 1.00 0.00 H new TER 902 ARG A 60