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 37 THR OG1 : rot -56:sc= 1.13 USER MOD Set 1.2: A 40 THR OG1 : rot 74:sc= 2.36 USER MOD Set 1.3: A 41 ASN : amide:sc= -1.79! C(o=1.7!,f=-1.6!) USER MOD Set 2.1: A 23 GLN : amide:sc= -1.23 K(o=-5.2,f=-16!) USER MOD Set 2.2: A 33 HIS : no HD1:sc= -3.96! C(o=-5.2!,f=-11!) USER MOD Set 3.1: A 16 THR OG1 : rot 170:sc= 0.36 USER MOD Set 3.2: A 18 THR OG1 : rot -27:sc= 1.39 USER MOD Set 3.3: A 20 THR OG1 : rot 85:sc= 1.26 USER MOD Set 3.4: A 67 ASN : amide:sc= -0.418 K(o=2.6,f=-8.6!) USER MOD Set 4.1: A 2 MET CE :methyl -127:sc= 0 (180deg=-1.33) USER MOD Set 4.2: A 79 GLN : amide:sc= -1.17 K(o=-1.2,f=-12!) USER MOD Single : A 5 ASN : amide:sc= -1.92! C(o=-1.9!,f=-3.9!) USER MOD Single : A 7 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.126) USER MOD Single : A 9 TYR OH : rot -147:sc= -0.15 USER MOD Single : A -3 ASN : amide:sc= -2.33 K(o=-2.3,f=-0.98) USER MOD Single : A -4 SER N :NH3+ -112:sc= 0.148 (180deg=0) USER MOD Single : A -4 SER OG : rot 180:sc= 0.00235 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -1.28! C(o=-1.3!,f=-9!) USER MOD Single : A 31 HIS : no HD1:sc= -3.44! K(o=-3.4!,f=-4.6) 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= 1.09 K(o=1.1,f=-3.2!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.423! C(o=-0.42!,f=-12!) USER MOD Single : A 64 TYR OH : rot 100:sc= -0.401 USER MOD Single : A 65 THR OG1 : rot -92:sc= -0.996! USER MOD Single : A 66 THR OG1 : rot 160:sc= -0.222 USER MOD Single : A 70 LYS NZ :NH3+ 155:sc= 0.629 (180deg=-0.388) 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 3.770 37.760 -1.046 1.00 0.00 N ATOM 2 CA SER A -4 4.197 36.463 -1.599 1.00 0.00 C ATOM 3 C SER A -4 2.976 35.585 -1.846 1.00 0.00 C ATOM 4 O SER A -4 1.861 35.960 -1.482 1.00 0.00 O ATOM 5 CB SER A -4 5.156 35.789 -0.615 1.00 0.00 C ATOM 6 OG SER A -4 6.241 36.645 -0.294 1.00 0.00 O ATOM 0 H1 SER A -4 3.949 38.510 -1.743 1.00 0.00 H new ATOM 0 H2 SER A -4 2.754 37.726 -0.826 1.00 0.00 H new ATOM 0 H3 SER A -4 4.306 37.960 -0.177 1.00 0.00 H new ATOM 0 HA SER A -4 4.712 36.614 -2.548 1.00 0.00 H new ATOM 0 HB2 SER A -4 4.619 35.520 0.295 1.00 0.00 H new ATOM 0 HB3 SER A -4 5.535 34.863 -1.047 1.00 0.00 H new ATOM 0 HG SER A -4 6.839 36.193 0.337 1.00 0.00 H new ATOM 14 N ASN A -3 3.177 34.419 -2.463 1.00 0.00 N ATOM 15 CA ASN A -3 2.067 33.521 -2.780 1.00 0.00 C ATOM 16 C ASN A -3 1.635 32.778 -1.523 1.00 0.00 C ATOM 17 O ASN A -3 0.738 31.933 -1.559 1.00 0.00 O ATOM 18 CB ASN A -3 2.446 32.537 -3.901 1.00 0.00 C ATOM 19 CG ASN A -3 3.199 31.305 -3.417 1.00 0.00 C ATOM 20 OD1 ASN A -3 4.412 31.338 -3.226 1.00 0.00 O ATOM 21 ND2 ASN A -3 2.487 30.197 -3.251 1.00 0.00 N ATOM 0 H ASN A -3 4.093 34.076 -2.751 1.00 0.00 H new ATOM 0 HA ASN A -3 1.230 34.117 -3.144 1.00 0.00 H new ATOM 0 HB2 ASN A -3 1.538 32.217 -4.412 1.00 0.00 H new ATOM 0 HB3 ASN A -3 3.059 33.059 -4.636 1.00 0.00 H new ATOM 0 HD21 ASN A -3 2.946 29.335 -2.955 1.00 0.00 H new ATOM 0 HD22 ASN A -3 1.481 30.207 -3.419 1.00 0.00 H new ATOM 28 N ALA A -2 2.316 33.107 -0.425 1.00 0.00 N ATOM 29 CA ALA A -2 1.957 32.666 0.913 1.00 0.00 C ATOM 30 C ALA A -2 2.371 31.224 1.149 1.00 0.00 C ATOM 31 O ALA A -2 1.836 30.533 2.016 1.00 0.00 O ATOM 32 CB ALA A -2 0.481 32.893 1.157 1.00 0.00 C ATOM 0 H ALA A -2 3.147 33.698 -0.446 1.00 0.00 H new ATOM 0 HA ALA A -2 2.506 33.264 1.640 1.00 0.00 H new ATOM 0 HB1 ALA A -2 0.223 32.559 2.162 1.00 0.00 H new ATOM 0 HB2 ALA A -2 0.255 33.955 1.058 1.00 0.00 H new ATOM 0 HB3 ALA A -2 -0.099 32.329 0.427 1.00 0.00 H new ATOM 38 N ASP A -1 3.349 30.796 0.371 1.00 0.00 N ATOM 39 CA ASP A -1 4.000 29.514 0.578 1.00 0.00 C ATOM 40 C ASP A -1 5.215 29.728 1.463 1.00 0.00 C ATOM 41 O ASP A -1 6.364 29.535 1.063 1.00 0.00 O ATOM 42 CB ASP A -1 4.392 28.884 -0.754 1.00 0.00 C ATOM 43 CG ASP A -1 5.129 27.572 -0.583 1.00 0.00 C ATOM 44 OD1 ASP A -1 4.734 26.764 0.291 1.00 0.00 O ATOM 45 OD2 ASP A -1 6.111 27.352 -1.314 1.00 0.00 O ATOM 0 H ASP A -1 3.714 31.326 -0.421 1.00 0.00 H new ATOM 0 HA ASP A -1 3.312 28.825 1.067 1.00 0.00 H new ATOM 0 HB2 ASP A -1 3.495 28.718 -1.351 1.00 0.00 H new ATOM 0 HB3 ASP A -1 5.020 29.580 -1.310 1.00 0.00 H new ATOM 50 N CYS A 1 4.934 30.183 2.664 1.00 0.00 N ATOM 51 CA CYS A 1 5.956 30.517 3.625 1.00 0.00 C ATOM 52 C CYS A 1 5.404 30.374 5.038 1.00 0.00 C ATOM 53 O CYS A 1 4.200 30.520 5.264 1.00 0.00 O ATOM 54 CB CYS A 1 6.460 31.940 3.361 1.00 0.00 C ATOM 55 SG CYS A 1 5.226 33.032 2.569 1.00 0.00 S ATOM 0 H CYS A 1 3.983 30.332 3.001 1.00 0.00 H new ATOM 0 HA CYS A 1 6.798 29.833 3.524 1.00 0.00 H new ATOM 0 HB2 CYS A 1 6.771 32.385 4.306 1.00 0.00 H new ATOM 0 HB3 CYS A 1 7.345 31.889 2.727 1.00 0.00 H new ATOM 60 N MET A 2 6.283 30.075 5.981 1.00 0.00 N ATOM 61 CA MET A 2 5.865 29.845 7.372 1.00 0.00 C ATOM 62 C MET A 2 6.018 31.075 8.241 1.00 0.00 C ATOM 63 O MET A 2 6.806 31.959 7.958 1.00 0.00 O ATOM 64 CB MET A 2 6.668 28.711 8.011 1.00 0.00 C ATOM 65 CG MET A 2 8.170 28.870 7.832 1.00 0.00 C ATOM 66 SD MET A 2 9.121 27.854 8.970 1.00 0.00 S ATOM 67 CE MET A 2 10.795 28.231 8.454 1.00 0.00 C ATOM 0 H MET A 2 7.286 29.984 5.820 1.00 0.00 H new ATOM 0 HA MET A 2 4.809 29.581 7.319 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.438 28.666 9.075 1.00 0.00 H new ATOM 0 HB3 MET A 2 6.355 27.762 7.576 1.00 0.00 H new ATOM 0 HG2 MET A 2 8.439 28.609 6.808 1.00 0.00 H new ATOM 0 HG3 MET A 2 8.439 29.916 7.975 1.00 0.00 H new ATOM 0 HE1 MET A 2 11.330 27.304 8.248 1.00 0.00 H new ATOM 0 HE2 MET A 2 10.769 28.842 7.552 1.00 0.00 H new ATOM 0 HE3 MET A 2 11.306 28.776 9.247 1.00 0.00 H new ATOM 77 N PHE A 3 5.248 31.105 9.316 1.00 0.00 N ATOM 78 CA PHE A 3 5.301 32.180 10.281 1.00 0.00 C ATOM 79 C PHE A 3 5.835 31.623 11.586 1.00 0.00 C ATOM 80 O PHE A 3 5.094 31.005 12.346 1.00 0.00 O ATOM 81 CB PHE A 3 3.907 32.781 10.492 1.00 0.00 C ATOM 82 CG PHE A 3 3.285 33.344 9.242 1.00 0.00 C ATOM 83 CD1 PHE A 3 2.583 32.527 8.369 1.00 0.00 C ATOM 84 CD2 PHE A 3 3.399 34.693 8.942 1.00 0.00 C ATOM 85 CE1 PHE A 3 2.008 33.043 7.222 1.00 0.00 C ATOM 86 CE2 PHE A 3 2.827 35.214 7.797 1.00 0.00 C ATOM 87 CZ PHE A 3 2.129 34.389 6.937 1.00 0.00 C ATOM 0 H PHE A 3 4.567 30.379 9.541 1.00 0.00 H new ATOM 0 HA PHE A 3 5.955 32.972 9.917 1.00 0.00 H new ATOM 0 HB2 PHE A 3 3.249 32.012 10.898 1.00 0.00 H new ATOM 0 HB3 PHE A 3 3.973 33.571 11.240 1.00 0.00 H new ATOM 0 HD1 PHE A 3 2.484 31.474 8.588 1.00 0.00 H new ATOM 0 HD2 PHE A 3 3.941 35.344 9.611 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.465 32.395 6.550 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.926 36.266 7.575 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.679 34.796 6.043 1.00 0.00 H new ATOM 97 N GLY A 4 7.122 31.802 11.823 1.00 0.00 N ATOM 98 CA GLY A 4 7.735 31.218 12.976 1.00 0.00 C ATOM 99 C GLY A 4 8.014 29.760 12.743 1.00 0.00 C ATOM 100 O GLY A 4 8.775 29.406 11.835 1.00 0.00 O ATOM 0 H GLY A 4 7.750 32.345 11.230 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.664 31.740 13.205 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.082 31.336 13.841 1.00 0.00 H new ATOM 104 N ASN A 5 7.320 28.931 13.508 1.00 0.00 N ATOM 105 CA ASN A 5 7.496 27.486 13.490 1.00 0.00 C ATOM 106 C ASN A 5 6.776 26.877 12.306 1.00 0.00 C ATOM 107 O ASN A 5 7.116 25.794 11.852 1.00 0.00 O ATOM 108 CB ASN A 5 6.929 26.870 14.770 1.00 0.00 C ATOM 109 CG ASN A 5 7.685 27.279 16.016 1.00 0.00 C ATOM 110 OD1 ASN A 5 8.874 27.598 15.970 1.00 0.00 O ATOM 111 ND2 ASN A 5 6.995 27.253 17.142 1.00 0.00 N ATOM 0 H ASN A 5 6.609 29.247 14.168 1.00 0.00 H new ATOM 0 HA ASN A 5 8.564 27.279 13.416 1.00 0.00 H new ATOM 0 HB2 ASN A 5 5.884 27.163 14.874 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.948 25.784 14.682 1.00 0.00 H new ATOM 0 HD21 ASN A 5 7.445 27.504 18.022 1.00 0.00 H new ATOM 0 HD22 ASN A 5 6.012 26.982 17.131 1.00 0.00 H new ATOM 118 N GLY A 6 5.757 27.565 11.818 1.00 0.00 N ATOM 119 CA GLY A 6 4.971 27.013 10.745 1.00 0.00 C ATOM 120 C GLY A 6 3.611 26.570 11.223 1.00 0.00 C ATOM 121 O GLY A 6 2.923 25.796 10.557 1.00 0.00 O ATOM 0 H GLY A 6 5.465 28.486 12.144 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.856 27.758 9.958 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.497 26.165 10.307 1.00 0.00 H new ATOM 125 N LYS A 7 3.223 27.066 12.385 1.00 0.00 N ATOM 126 CA LYS A 7 1.919 26.769 12.949 1.00 0.00 C ATOM 127 C LYS A 7 0.826 27.363 12.066 1.00 0.00 C ATOM 128 O LYS A 7 -0.179 26.717 11.776 1.00 0.00 O ATOM 129 CB LYS A 7 1.843 27.332 14.362 1.00 0.00 C ATOM 130 CG LYS A 7 2.692 26.573 15.366 1.00 0.00 C ATOM 131 CD LYS A 7 2.526 27.135 16.769 1.00 0.00 C ATOM 132 CE LYS A 7 1.116 26.914 17.298 1.00 0.00 C ATOM 133 NZ LYS A 7 0.837 25.472 17.541 1.00 0.00 N ATOM 0 H LYS A 7 3.798 27.681 12.960 1.00 0.00 H new ATOM 0 HA LYS A 7 1.771 25.690 12.993 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.160 28.375 14.346 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.805 27.319 14.694 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.412 25.520 15.359 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.740 26.626 15.073 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.245 26.662 17.438 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.750 28.202 16.763 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.984 27.471 18.226 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.394 27.309 16.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.053 25.375 18.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.754 24.976 16.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.615 25.056 18.092 1.00 0.00 H new ATOM 147 N GLY A 8 1.047 28.600 11.638 1.00 0.00 N ATOM 148 CA GLY A 8 0.185 29.232 10.676 1.00 0.00 C ATOM 149 C GLY A 8 0.826 29.254 9.306 1.00 0.00 C ATOM 150 O GLY A 8 0.539 30.120 8.490 1.00 0.00 O ATOM 0 H GLY A 8 1.825 29.180 11.951 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.765 28.700 10.628 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.036 30.251 10.994 1.00 0.00 H new ATOM 154 N TYR A 9 1.732 28.311 9.073 1.00 0.00 N ATOM 155 CA TYR A 9 2.299 28.093 7.755 1.00 0.00 C ATOM 156 C TYR A 9 1.217 27.569 6.828 1.00 0.00 C ATOM 157 O TYR A 9 0.837 26.408 6.916 1.00 0.00 O ATOM 158 CB TYR A 9 3.441 27.079 7.852 1.00 0.00 C ATOM 159 CG TYR A 9 3.883 26.506 6.529 1.00 0.00 C ATOM 160 CD1 TYR A 9 3.933 27.288 5.387 1.00 0.00 C ATOM 161 CD2 TYR A 9 4.214 25.166 6.420 1.00 0.00 C ATOM 162 CE1 TYR A 9 4.299 26.751 4.176 1.00 0.00 C ATOM 163 CE2 TYR A 9 4.576 24.618 5.209 1.00 0.00 C ATOM 164 CZ TYR A 9 4.615 25.418 4.087 1.00 0.00 C ATOM 165 OH TYR A 9 4.945 24.884 2.865 1.00 0.00 O ATOM 0 H TYR A 9 2.090 27.681 9.791 1.00 0.00 H new ATOM 0 HA TYR A 9 2.690 29.031 7.360 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.296 27.558 8.330 1.00 0.00 H new ATOM 0 HB3 TYR A 9 3.130 26.261 8.502 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.680 28.336 5.449 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.188 24.540 7.299 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.338 27.376 3.296 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.827 23.570 5.139 1.00 0.00 H new ATOM 0 HH TYR A 9 4.637 23.955 2.820 1.00 0.00 H new ATOM 175 N ARG A 10 0.698 28.421 5.963 1.00 0.00 N ATOM 176 CA ARG A 10 -0.396 28.030 5.082 1.00 0.00 C ATOM 177 C ARG A 10 0.118 27.900 3.651 1.00 0.00 C ATOM 178 O ARG A 10 -0.508 28.372 2.704 1.00 0.00 O ATOM 179 CB ARG A 10 -1.532 29.059 5.152 1.00 0.00 C ATOM 180 CG ARG A 10 -1.705 29.722 6.518 1.00 0.00 C ATOM 181 CD ARG A 10 -2.350 28.823 7.571 1.00 0.00 C ATOM 182 NE ARG A 10 -1.593 27.602 7.819 1.00 0.00 N ATOM 183 CZ ARG A 10 -1.755 26.834 8.890 1.00 0.00 C ATOM 184 NH1 ARG A 10 -2.733 27.080 9.753 1.00 0.00 N ATOM 185 NH2 ARG A 10 -0.935 25.815 9.088 1.00 0.00 N ATOM 0 H ARG A 10 1.012 29.385 5.849 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.788 27.066 5.407 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.350 29.834 4.407 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.466 28.568 4.880 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.729 30.044 6.880 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.313 30.619 6.400 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.449 29.378 8.504 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.357 28.560 7.248 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.897 27.321 7.128 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.367 27.864 9.596 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.851 26.485 10.573 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.187 25.625 8.421 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.051 25.219 9.908 1.00 0.00 H new ATOM 199 N GLY A 11 1.265 27.248 3.511 1.00 0.00 N ATOM 200 CA GLY A 11 1.922 27.156 2.221 1.00 0.00 C ATOM 201 C GLY A 11 1.591 25.877 1.480 1.00 0.00 C ATOM 202 O GLY A 11 0.556 25.250 1.738 1.00 0.00 O ATOM 0 H GLY A 11 1.755 26.778 4.273 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.631 28.010 1.609 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.001 27.219 2.363 1.00 0.00 H new ATOM 206 N LYS A 12 2.480 25.465 0.584 1.00 0.00 N ATOM 207 CA LYS A 12 2.190 24.377 -0.331 1.00 0.00 C ATOM 208 C LYS A 12 3.451 23.608 -0.679 1.00 0.00 C ATOM 209 O LYS A 12 3.504 22.908 -1.692 1.00 0.00 O ATOM 210 CB LYS A 12 1.534 24.941 -1.593 1.00 0.00 C ATOM 211 CG LYS A 12 2.333 26.049 -2.251 1.00 0.00 C ATOM 212 CD LYS A 12 1.407 27.055 -2.904 1.00 0.00 C ATOM 213 CE LYS A 12 0.537 26.408 -3.969 1.00 0.00 C ATOM 214 NZ LYS A 12 -0.611 27.273 -4.343 1.00 0.00 N ATOM 0 H LYS A 12 3.409 25.872 0.475 1.00 0.00 H new ATOM 0 HA LYS A 12 1.504 23.680 0.151 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.391 24.133 -2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.544 25.320 -1.339 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.955 26.548 -1.508 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.005 25.626 -2.998 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.773 27.513 -2.145 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.996 27.855 -3.352 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.139 26.200 -4.854 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.167 25.450 -3.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.181 26.798 -5.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.200 27.451 -3.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -0.257 28.177 -4.716 1.00 0.00 H new ATOM 228 N ARG A 13 4.470 23.740 0.157 1.00 0.00 N ATOM 229 CA ARG A 13 5.654 22.921 0.016 1.00 0.00 C ATOM 230 C ARG A 13 5.266 21.486 0.320 1.00 0.00 C ATOM 231 O ARG A 13 4.487 21.236 1.231 1.00 0.00 O ATOM 232 CB ARG A 13 6.752 23.383 0.968 1.00 0.00 C ATOM 233 CG ARG A 13 7.212 24.814 0.749 1.00 0.00 C ATOM 234 CD ARG A 13 8.145 24.942 -0.441 1.00 0.00 C ATOM 235 NE ARG A 13 8.414 26.344 -0.757 1.00 0.00 N ATOM 236 CZ ARG A 13 9.577 26.809 -1.201 1.00 0.00 C ATOM 237 NH1 ARG A 13 10.625 26.004 -1.312 1.00 0.00 N ATOM 238 NH2 ARG A 13 9.688 28.090 -1.524 1.00 0.00 N ATOM 0 H ARG A 13 4.497 24.402 0.933 1.00 0.00 H new ATOM 0 HA ARG A 13 6.044 23.005 -0.998 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.394 23.282 1.992 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.610 22.719 0.864 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.343 25.454 0.597 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.718 25.172 1.645 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.083 24.429 -0.227 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.703 24.450 -1.307 1.00 0.00 H new ATOM 0 HE ARG A 13 7.655 27.013 -0.627 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.542 25.020 -1.056 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.514 26.369 -1.654 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.884 28.711 -1.431 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.577 28.455 -1.866 1.00 0.00 H new ATOM 252 N VAL A 14 5.780 20.554 -0.447 1.00 0.00 N ATOM 253 CA VAL A 14 5.338 19.171 -0.351 1.00 0.00 C ATOM 254 C VAL A 14 6.523 18.224 -0.392 1.00 0.00 C ATOM 255 O VAL A 14 6.466 17.143 -0.976 1.00 0.00 O ATOM 256 CB VAL A 14 4.345 18.840 -1.482 1.00 0.00 C ATOM 257 CG1 VAL A 14 2.964 19.374 -1.138 1.00 0.00 C ATOM 258 CG2 VAL A 14 4.821 19.440 -2.796 1.00 0.00 C ATOM 0 H VAL A 14 6.504 20.721 -1.146 1.00 0.00 H new ATOM 0 HA VAL A 14 4.829 19.042 0.604 1.00 0.00 H new ATOM 0 HB VAL A 14 4.290 17.757 -1.591 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.270 19.135 -1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.617 18.915 -0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.013 20.455 -1.011 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.110 19.198 -3.585 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.897 20.523 -2.695 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.798 19.030 -3.050 1.00 0.00 H new ATOM 268 N THR A 15 7.585 18.645 0.256 1.00 0.00 N ATOM 269 CA THR A 15 8.833 17.929 0.259 1.00 0.00 C ATOM 270 C THR A 15 9.573 18.215 1.551 1.00 0.00 C ATOM 271 O THR A 15 9.467 19.315 2.101 1.00 0.00 O ATOM 272 CB THR A 15 9.717 18.371 -0.914 1.00 0.00 C ATOM 273 OG1 THR A 15 9.394 19.715 -1.305 1.00 0.00 O ATOM 274 CG2 THR A 15 9.580 17.432 -2.093 1.00 0.00 C ATOM 0 H THR A 15 7.603 19.506 0.802 1.00 0.00 H new ATOM 0 HA THR A 15 8.618 16.865 0.166 1.00 0.00 H new ATOM 0 HB THR A 15 10.754 18.340 -0.581 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.967 19.985 -2.053 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.219 17.774 -2.907 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.879 16.427 -1.794 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.543 17.418 -2.428 1.00 0.00 H new ATOM 282 N THR A 16 10.324 17.244 2.023 1.00 0.00 N ATOM 283 CA THR A 16 11.130 17.412 3.209 1.00 0.00 C ATOM 284 C THR A 16 12.350 18.271 2.908 1.00 0.00 C ATOM 285 O THR A 16 12.483 18.802 1.803 1.00 0.00 O ATOM 286 CB THR A 16 11.588 16.049 3.729 1.00 0.00 C ATOM 287 OG1 THR A 16 12.276 15.360 2.679 1.00 0.00 O ATOM 288 CG2 THR A 16 10.400 15.224 4.182 1.00 0.00 C ATOM 0 H THR A 16 10.392 16.320 1.596 1.00 0.00 H new ATOM 0 HA THR A 16 10.524 17.907 3.967 1.00 0.00 H new ATOM 0 HB THR A 16 12.251 16.197 4.581 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.712 14.561 3.043 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.747 14.258 4.549 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.876 15.749 4.981 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.722 15.072 3.343 1.00 0.00 H new ATOM 296 N VAL A 17 13.253 18.388 3.865 1.00 0.00 N ATOM 297 CA VAL A 17 14.474 19.147 3.656 1.00 0.00 C ATOM 298 C VAL A 17 15.356 18.499 2.596 1.00 0.00 C ATOM 299 O VAL A 17 16.259 19.127 2.041 1.00 0.00 O ATOM 300 CB VAL A 17 15.292 19.317 4.941 1.00 0.00 C ATOM 301 CG1 VAL A 17 14.603 20.280 5.896 1.00 0.00 C ATOM 302 CG2 VAL A 17 15.544 17.973 5.611 1.00 0.00 C ATOM 0 H VAL A 17 13.165 17.969 4.791 1.00 0.00 H new ATOM 0 HA VAL A 17 14.153 20.133 3.319 1.00 0.00 H new ATOM 0 HB VAL A 17 16.259 19.741 4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 17 15.201 20.385 6.801 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.495 21.253 5.417 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.618 19.893 6.155 1.00 0.00 H new ATOM 0 HG21 VAL A 17 16.126 18.123 6.520 1.00 0.00 H new ATOM 0 HG22 VAL A 17 14.591 17.508 5.863 1.00 0.00 H new ATOM 0 HG23 VAL A 17 16.095 17.325 4.930 1.00 0.00 H new ATOM 312 N THR A 18 15.070 17.245 2.311 1.00 0.00 N ATOM 313 CA THR A 18 15.824 16.482 1.335 1.00 0.00 C ATOM 314 C THR A 18 15.152 16.560 -0.013 1.00 0.00 C ATOM 315 O THR A 18 15.732 16.206 -1.037 1.00 0.00 O ATOM 316 CB THR A 18 15.892 15.007 1.738 1.00 0.00 C ATOM 317 OG1 THR A 18 14.558 14.482 1.815 1.00 0.00 O ATOM 318 CG2 THR A 18 16.578 14.851 3.077 1.00 0.00 C ATOM 0 H THR A 18 14.309 16.726 2.749 1.00 0.00 H new ATOM 0 HA THR A 18 16.828 16.903 1.289 1.00 0.00 H new ATOM 0 HB THR A 18 16.467 14.460 0.991 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.933 15.207 2.024 1.00 0.00 H new ATOM 0 HG21 THR A 18 16.616 13.795 3.345 1.00 0.00 H new ATOM 0 HG22 THR A 18 17.592 15.246 3.015 1.00 0.00 H new ATOM 0 HG23 THR A 18 16.021 15.399 3.837 1.00 0.00 H new ATOM 326 N GLY A 19 13.918 17.029 -0.006 1.00 0.00 N ATOM 327 CA GLY A 19 13.117 16.962 -1.192 1.00 0.00 C ATOM 328 C GLY A 19 12.384 15.643 -1.295 1.00 0.00 C ATOM 329 O GLY A 19 11.892 15.294 -2.369 1.00 0.00 O ATOM 0 H GLY A 19 13.462 17.453 0.802 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.397 17.780 -1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.751 17.096 -2.068 1.00 0.00 H new ATOM 333 N THR A 20 12.322 14.889 -0.194 1.00 0.00 N ATOM 334 CA THR A 20 11.485 13.708 -0.170 1.00 0.00 C ATOM 335 C THR A 20 10.032 14.137 -0.030 1.00 0.00 C ATOM 336 O THR A 20 9.677 14.815 0.931 1.00 0.00 O ATOM 337 CB THR A 20 11.858 12.767 0.988 1.00 0.00 C ATOM 338 OG1 THR A 20 13.230 12.361 0.877 1.00 0.00 O ATOM 339 CG2 THR A 20 10.963 11.539 0.996 1.00 0.00 C ATOM 0 H THR A 20 12.832 15.077 0.669 1.00 0.00 H new ATOM 0 HA THR A 20 11.636 13.162 -1.101 1.00 0.00 H new ATOM 0 HB THR A 20 11.717 13.310 1.923 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.806 13.040 1.286 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.246 10.888 1.824 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.924 11.847 1.115 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.076 11.000 0.055 1.00 0.00 H new ATOM 347 N PRO A 21 9.185 13.791 -1.012 1.00 0.00 N ATOM 348 CA PRO A 21 7.769 14.162 -1.011 1.00 0.00 C ATOM 349 C PRO A 21 7.070 13.880 0.303 1.00 0.00 C ATOM 350 O PRO A 21 7.155 12.776 0.855 1.00 0.00 O ATOM 351 CB PRO A 21 7.181 13.272 -2.088 1.00 0.00 C ATOM 352 CG PRO A 21 8.288 13.101 -3.056 1.00 0.00 C ATOM 353 CD PRO A 21 9.538 13.017 -2.220 1.00 0.00 C ATOM 0 HA PRO A 21 7.646 15.233 -1.174 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.856 12.315 -1.681 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.310 13.732 -2.555 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.153 12.199 -3.653 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.335 13.939 -3.751 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.792 11.985 -1.978 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.398 13.445 -2.736 1.00 0.00 H new ATOM 361 N CYS A 22 6.390 14.885 0.806 1.00 0.00 N ATOM 362 CA CYS A 22 5.539 14.708 1.959 1.00 0.00 C ATOM 363 C CYS A 22 4.324 13.880 1.587 1.00 0.00 C ATOM 364 O CYS A 22 3.717 14.067 0.531 1.00 0.00 O ATOM 365 CB CYS A 22 5.109 16.056 2.524 1.00 0.00 C ATOM 366 SG CYS A 22 6.507 17.074 3.068 1.00 0.00 S ATOM 0 H CYS A 22 6.410 15.834 0.434 1.00 0.00 H new ATOM 0 HA CYS A 22 6.104 14.181 2.728 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.545 16.599 1.765 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.436 15.893 3.366 1.00 0.00 H new ATOM 371 N GLN A 23 4.025 12.930 2.447 1.00 0.00 N ATOM 372 CA GLN A 23 2.843 12.105 2.335 1.00 0.00 C ATOM 373 C GLN A 23 1.617 12.942 2.576 1.00 0.00 C ATOM 374 O GLN A 23 1.702 14.044 3.120 1.00 0.00 O ATOM 375 CB GLN A 23 2.880 11.027 3.400 1.00 0.00 C ATOM 376 CG GLN A 23 1.882 9.908 3.209 1.00 0.00 C ATOM 377 CD GLN A 23 2.011 8.889 4.307 1.00 0.00 C ATOM 378 OE1 GLN A 23 2.820 7.991 4.205 1.00 0.00 O ATOM 379 NE2 GLN A 23 1.166 8.977 5.319 1.00 0.00 N ATOM 0 H GLN A 23 4.605 12.706 3.255 1.00 0.00 H new ATOM 0 HA GLN A 23 2.815 11.664 1.339 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.882 10.599 3.428 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.703 11.490 4.371 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.870 10.314 3.199 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.043 9.431 2.242 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.502 9.750 5.364 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.177 8.272 6.056 1.00 0.00 H new ATOM 388 N ASP A 24 0.479 12.392 2.235 1.00 0.00 N ATOM 389 CA ASP A 24 -0.761 13.056 2.499 1.00 0.00 C ATOM 390 C ASP A 24 -1.026 12.889 3.971 1.00 0.00 C ATOM 391 O ASP A 24 -0.980 11.771 4.496 1.00 0.00 O ATOM 392 CB ASP A 24 -1.917 12.442 1.697 1.00 0.00 C ATOM 393 CG ASP A 24 -1.708 12.467 0.195 1.00 0.00 C ATOM 394 OD1 ASP A 24 -0.853 11.706 -0.308 1.00 0.00 O ATOM 395 OD2 ASP A 24 -2.432 13.215 -0.495 1.00 0.00 O ATOM 0 H ASP A 24 0.391 11.486 1.774 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.694 14.104 2.207 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.059 11.410 2.017 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.836 12.979 1.935 1.00 0.00 H new ATOM 400 N TRP A 25 -1.246 13.994 4.646 1.00 0.00 N ATOM 401 CA TRP A 25 -1.653 13.965 6.036 1.00 0.00 C ATOM 402 C TRP A 25 -2.893 13.104 6.151 1.00 0.00 C ATOM 403 O TRP A 25 -3.131 12.442 7.156 1.00 0.00 O ATOM 404 CB TRP A 25 -1.951 15.374 6.527 1.00 0.00 C ATOM 405 CG TRP A 25 -0.868 16.347 6.206 1.00 0.00 C ATOM 406 CD1 TRP A 25 -0.749 17.084 5.073 1.00 0.00 C ATOM 407 CD2 TRP A 25 0.247 16.691 7.028 1.00 0.00 C ATOM 408 NE1 TRP A 25 0.375 17.854 5.136 1.00 0.00 N ATOM 409 CE2 TRP A 25 1.002 17.639 6.331 1.00 0.00 C ATOM 410 CE3 TRP A 25 0.672 16.284 8.282 1.00 0.00 C ATOM 411 CZ2 TRP A 25 2.164 18.197 6.858 1.00 0.00 C ATOM 412 CZ3 TRP A 25 1.822 16.832 8.813 1.00 0.00 C ATOM 413 CH2 TRP A 25 2.558 17.780 8.100 1.00 0.00 C ATOM 0 H TRP A 25 -1.150 14.931 4.254 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.851 13.553 6.649 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -2.884 15.718 6.081 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -2.103 15.352 7.606 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.441 17.064 4.244 1.00 0.00 H new ATOM 0 HE1 TRP A 25 0.697 18.490 4.406 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.111 15.547 8.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 2.733 18.931 6.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.157 16.524 9.792 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.455 18.192 8.537 1.00 0.00 H new ATOM 424 N ALA A 26 -3.661 13.128 5.082 1.00 0.00 N ATOM 425 CA ALA A 26 -4.860 12.325 4.962 1.00 0.00 C ATOM 426 C ALA A 26 -4.572 10.844 4.667 1.00 0.00 C ATOM 427 O ALA A 26 -5.421 9.995 4.937 1.00 0.00 O ATOM 428 CB ALA A 26 -5.758 12.905 3.882 1.00 0.00 C ATOM 0 H ALA A 26 -3.470 13.709 4.266 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.361 12.357 5.930 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.659 12.299 3.794 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.032 13.926 4.146 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.227 12.907 2.930 1.00 0.00 H new ATOM 434 N ALA A 27 -3.388 10.501 4.138 1.00 0.00 N ATOM 435 CA ALA A 27 -3.156 9.144 3.703 1.00 0.00 C ATOM 436 C ALA A 27 -2.310 8.439 4.725 1.00 0.00 C ATOM 437 O ALA A 27 -1.516 9.062 5.389 1.00 0.00 O ATOM 438 CB ALA A 27 -2.478 9.125 2.343 1.00 0.00 C ATOM 0 H ALA A 27 -2.602 11.138 4.009 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.111 8.628 3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.312 8.093 2.034 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.114 9.625 1.612 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.521 9.643 2.406 1.00 0.00 H new ATOM 444 N GLN A 28 -2.478 7.152 4.834 1.00 0.00 N ATOM 445 CA GLN A 28 -1.732 6.342 5.763 1.00 0.00 C ATOM 446 C GLN A 28 -0.694 5.633 4.942 1.00 0.00 C ATOM 447 O GLN A 28 -0.358 4.475 5.185 1.00 0.00 O ATOM 448 CB GLN A 28 -2.655 5.307 6.413 1.00 0.00 C ATOM 449 CG GLN A 28 -3.898 5.897 7.046 1.00 0.00 C ATOM 450 CD GLN A 28 -3.556 6.828 8.176 1.00 0.00 C ATOM 451 OE1 GLN A 28 -3.415 6.400 9.312 1.00 0.00 O ATOM 452 NE2 GLN A 28 -3.410 8.105 7.877 1.00 0.00 N ATOM 0 H GLN A 28 -3.147 6.625 4.273 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.289 6.946 6.555 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -2.955 4.579 5.659 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.095 4.764 7.175 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.471 6.436 6.291 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.535 5.093 7.416 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.537 8.421 6.916 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -3.171 8.776 8.607 1.00 0.00 H new ATOM 461 N GLU A 29 -0.208 6.339 3.938 1.00 0.00 N ATOM 462 CA GLU A 29 0.379 5.671 2.815 1.00 0.00 C ATOM 463 C GLU A 29 1.555 6.400 2.188 1.00 0.00 C ATOM 464 O GLU A 29 1.401 7.498 1.661 1.00 0.00 O ATOM 465 CB GLU A 29 -0.714 5.475 1.783 1.00 0.00 C ATOM 466 CG GLU A 29 -1.725 4.408 2.153 1.00 0.00 C ATOM 467 CD GLU A 29 -2.657 4.072 1.012 1.00 0.00 C ATOM 468 OE1 GLU A 29 -2.299 3.203 0.190 1.00 0.00 O ATOM 469 OE2 GLU A 29 -3.756 4.669 0.937 1.00 0.00 O ATOM 0 H GLU A 29 -0.212 7.358 3.886 1.00 0.00 H new ATOM 0 HA GLU A 29 0.791 4.727 3.173 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.236 6.421 1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.256 5.213 0.829 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.198 3.506 2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.310 4.747 3.008 1.00 0.00 H new ATOM 476 N PRO A 30 2.739 5.760 2.174 1.00 0.00 N ATOM 477 CA PRO A 30 2.934 4.411 2.713 1.00 0.00 C ATOM 478 C PRO A 30 3.311 4.409 4.195 1.00 0.00 C ATOM 479 O PRO A 30 4.057 3.550 4.662 1.00 0.00 O ATOM 480 CB PRO A 30 4.086 3.888 1.861 1.00 0.00 C ATOM 481 CG PRO A 30 4.911 5.095 1.552 1.00 0.00 C ATOM 482 CD PRO A 30 3.984 6.289 1.589 1.00 0.00 C ATOM 0 HA PRO A 30 2.026 3.809 2.668 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.667 3.139 2.399 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.721 3.415 0.950 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.715 5.209 2.280 1.00 0.00 H new ATOM 0 HG3 PRO A 30 5.379 5.001 0.572 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.397 7.096 2.194 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.815 6.693 0.591 1.00 0.00 H new ATOM 490 N HIS A 31 2.803 5.386 4.922 1.00 0.00 N ATOM 491 CA HIS A 31 3.058 5.506 6.342 1.00 0.00 C ATOM 492 C HIS A 31 1.742 5.710 7.050 1.00 0.00 C ATOM 493 O HIS A 31 1.100 6.762 6.919 1.00 0.00 O ATOM 494 CB HIS A 31 4.031 6.661 6.641 1.00 0.00 C ATOM 495 CG HIS A 31 5.403 6.440 6.079 1.00 0.00 C ATOM 496 ND1 HIS A 31 5.665 6.456 4.732 1.00 0.00 N ATOM 497 CD2 HIS A 31 6.585 6.180 6.685 1.00 0.00 C ATOM 498 CE1 HIS A 31 6.942 6.208 4.529 1.00 0.00 C ATOM 499 NE2 HIS A 31 7.531 6.041 5.697 1.00 0.00 N ATOM 0 H HIS A 31 2.202 6.118 4.543 1.00 0.00 H new ATOM 0 HA HIS A 31 3.532 4.593 6.703 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.623 7.586 6.233 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.105 6.795 7.720 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.754 6.097 7.748 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.427 6.151 3.566 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.521 5.842 5.843 1.00 0.00 H new ATOM 508 N ARG A 32 1.308 4.688 7.753 1.00 0.00 N ATOM 509 CA ARG A 32 0.034 4.745 8.428 1.00 0.00 C ATOM 510 C ARG A 32 0.154 5.667 9.639 1.00 0.00 C ATOM 511 O ARG A 32 1.024 5.492 10.495 1.00 0.00 O ATOM 512 CB ARG A 32 -0.456 3.337 8.830 1.00 0.00 C ATOM 513 CG ARG A 32 0.211 2.736 10.066 1.00 0.00 C ATOM 514 CD ARG A 32 1.691 2.455 9.861 1.00 0.00 C ATOM 515 NE ARG A 32 2.337 2.075 11.111 1.00 0.00 N ATOM 516 CZ ARG A 32 3.647 2.155 11.335 1.00 0.00 C ATOM 517 NH1 ARG A 32 4.478 2.521 10.369 1.00 0.00 N ATOM 518 NH2 ARG A 32 4.128 1.859 12.533 1.00 0.00 N ATOM 0 H ARG A 32 1.817 3.812 7.871 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.715 5.149 7.747 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.531 3.382 9.004 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.297 2.662 7.989 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.089 3.419 10.907 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.296 1.809 10.332 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.814 1.657 9.129 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.178 3.340 9.452 1.00 0.00 H new ATOM 0 HE ARG A 32 1.746 1.724 11.865 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.116 2.745 9.442 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.480 2.579 10.553 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.496 1.571 13.280 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.131 1.919 12.709 1.00 0.00 H new ATOM 532 N HIS A 33 -0.684 6.683 9.680 1.00 0.00 N ATOM 533 CA HIS A 33 -0.630 7.656 10.760 1.00 0.00 C ATOM 534 C HIS A 33 -2.009 8.259 10.992 1.00 0.00 C ATOM 535 O HIS A 33 -2.436 9.195 10.316 1.00 0.00 O ATOM 536 CB HIS A 33 0.404 8.755 10.458 1.00 0.00 C ATOM 537 CG HIS A 33 0.030 9.608 9.294 1.00 0.00 C ATOM 538 ND1 HIS A 33 -0.145 10.957 9.379 1.00 0.00 N ATOM 539 CD2 HIS A 33 -0.274 9.277 8.040 1.00 0.00 C ATOM 540 CE1 HIS A 33 -0.546 11.432 8.229 1.00 0.00 C ATOM 541 NE2 HIS A 33 -0.627 10.435 7.388 1.00 0.00 N ATOM 0 H HIS A 33 -1.408 6.859 8.983 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.317 7.145 11.670 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.523 9.385 11.339 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.372 8.292 10.265 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.248 8.285 7.615 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.771 12.466 8.012 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.906 10.504 6.409 1.00 0.00 H new ATOM 550 N SER A 34 -2.721 7.687 11.921 1.00 0.00 N ATOM 551 CA SER A 34 -4.021 8.209 12.319 1.00 0.00 C ATOM 552 C SER A 34 -3.851 9.468 13.181 1.00 0.00 C ATOM 553 O SER A 34 -4.686 9.777 14.033 1.00 0.00 O ATOM 554 CB SER A 34 -4.784 7.131 13.086 1.00 0.00 C ATOM 555 OG SER A 34 -4.799 5.911 12.359 1.00 0.00 O ATOM 0 H SER A 34 -2.430 6.851 12.428 1.00 0.00 H new ATOM 0 HA SER A 34 -4.588 8.484 11.430 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.320 6.974 14.060 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.806 7.463 13.270 1.00 0.00 H new ATOM 0 HG SER A 34 -5.291 5.233 12.868 1.00 0.00 H new ATOM 561 N ILE A 35 -2.764 10.194 12.927 1.00 0.00 N ATOM 562 CA ILE A 35 -2.391 11.360 13.684 1.00 0.00 C ATOM 563 C ILE A 35 -1.832 12.386 12.725 1.00 0.00 C ATOM 564 O ILE A 35 -1.257 12.024 11.691 1.00 0.00 O ATOM 565 CB ILE A 35 -1.341 11.044 14.775 1.00 0.00 C ATOM 566 CG1 ILE A 35 -0.119 10.365 14.150 1.00 0.00 C ATOM 567 CG2 ILE A 35 -1.947 10.170 15.869 1.00 0.00 C ATOM 568 CD1 ILE A 35 0.992 10.076 15.135 1.00 0.00 C ATOM 0 H ILE A 35 -2.114 9.974 12.173 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.277 11.737 14.195 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.020 11.980 15.232 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.433 9.430 13.686 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.270 11.000 13.354 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.192 9.959 16.626 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -2.786 10.692 16.329 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.296 9.233 15.435 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.822 9.595 14.617 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.335 11.010 15.581 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.621 9.415 15.918 1.00 0.00 H new ATOM 580 N PHE A 36 -1.988 13.647 13.073 1.00 0.00 N ATOM 581 CA PHE A 36 -1.622 14.745 12.213 1.00 0.00 C ATOM 582 C PHE A 36 -2.235 14.592 10.834 1.00 0.00 C ATOM 583 O PHE A 36 -1.570 14.717 9.807 1.00 0.00 O ATOM 584 CB PHE A 36 -0.112 14.906 12.158 1.00 0.00 C ATOM 585 CG PHE A 36 0.509 14.924 13.526 1.00 0.00 C ATOM 586 CD1 PHE A 36 0.363 16.026 14.351 1.00 0.00 C ATOM 587 CD2 PHE A 36 1.227 13.835 13.992 1.00 0.00 C ATOM 588 CE1 PHE A 36 0.922 16.041 15.612 1.00 0.00 C ATOM 589 CE2 PHE A 36 1.789 13.847 15.252 1.00 0.00 C ATOM 590 CZ PHE A 36 1.638 14.950 16.063 1.00 0.00 C ATOM 0 H PHE A 36 -2.377 13.937 13.970 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.029 15.663 12.636 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.317 14.090 11.577 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.134 15.832 11.637 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.195 16.883 14.004 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.348 12.966 13.362 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.800 16.906 16.247 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.347 12.991 15.602 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.078 14.961 17.049 1.00 0.00 H new ATOM 600 N THR A 37 -3.513 14.284 10.842 1.00 0.00 N ATOM 601 CA THR A 37 -4.326 14.326 9.653 1.00 0.00 C ATOM 602 C THR A 37 -5.104 15.632 9.658 1.00 0.00 C ATOM 603 O THR A 37 -5.110 16.343 10.669 1.00 0.00 O ATOM 604 CB THR A 37 -5.332 13.155 9.612 1.00 0.00 C ATOM 605 OG1 THR A 37 -6.357 13.367 10.592 1.00 0.00 O ATOM 606 CG2 THR A 37 -4.643 11.825 9.882 1.00 0.00 C ATOM 0 H THR A 37 -4.018 13.996 11.680 1.00 0.00 H new ATOM 0 HA THR A 37 -3.675 14.248 8.782 1.00 0.00 H new ATOM 0 HB THR A 37 -5.770 13.119 8.614 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.947 13.479 11.475 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.378 11.021 9.846 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.878 11.651 9.125 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.179 11.849 10.868 1.00 0.00 H new ATOM 614 N PRO A 38 -5.786 15.975 8.563 1.00 0.00 N ATOM 615 CA PRO A 38 -6.678 17.132 8.545 1.00 0.00 C ATOM 616 C PRO A 38 -7.841 16.966 9.518 1.00 0.00 C ATOM 617 O PRO A 38 -8.495 17.940 9.895 1.00 0.00 O ATOM 618 CB PRO A 38 -7.207 17.169 7.111 1.00 0.00 C ATOM 619 CG PRO A 38 -6.256 16.340 6.316 1.00 0.00 C ATOM 620 CD PRO A 38 -5.725 15.301 7.258 1.00 0.00 C ATOM 0 HA PRO A 38 -6.160 18.043 8.844 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.219 16.768 7.055 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.248 18.191 6.734 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.758 15.876 5.467 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.448 16.951 5.914 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.331 14.395 7.243 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.707 15.007 7.003 1.00 0.00 H new ATOM 628 N GLU A 39 -8.078 15.728 9.942 1.00 0.00 N ATOM 629 CA GLU A 39 -9.258 15.403 10.726 1.00 0.00 C ATOM 630 C GLU A 39 -8.917 15.242 12.201 1.00 0.00 C ATOM 631 O GLU A 39 -9.792 15.342 13.063 1.00 0.00 O ATOM 632 CB GLU A 39 -9.898 14.131 10.176 1.00 0.00 C ATOM 633 CG GLU A 39 -10.392 14.293 8.750 1.00 0.00 C ATOM 634 CD GLU A 39 -10.775 12.981 8.104 1.00 0.00 C ATOM 635 OE1 GLU A 39 -11.356 12.121 8.790 1.00 0.00 O ATOM 636 OE2 GLU A 39 -10.497 12.808 6.897 1.00 0.00 O ATOM 0 H GLU A 39 -7.465 14.934 9.754 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.968 16.227 10.646 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.173 13.318 10.215 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.733 13.844 10.815 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.254 14.960 8.744 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.615 14.771 8.154 1.00 0.00 H new ATOM 643 N THR A 40 -7.649 14.996 12.494 1.00 0.00 N ATOM 644 CA THR A 40 -7.203 14.869 13.868 1.00 0.00 C ATOM 645 C THR A 40 -6.587 16.173 14.343 1.00 0.00 C ATOM 646 O THR A 40 -6.412 16.396 15.539 1.00 0.00 O ATOM 647 CB THR A 40 -6.179 13.732 14.023 1.00 0.00 C ATOM 648 OG1 THR A 40 -5.091 13.926 13.110 1.00 0.00 O ATOM 649 CG2 THR A 40 -6.831 12.384 13.763 1.00 0.00 C ATOM 0 H THR A 40 -6.913 14.881 11.797 1.00 0.00 H new ATOM 0 HA THR A 40 -8.075 14.633 14.478 1.00 0.00 H new ATOM 0 HB THR A 40 -5.801 13.746 15.045 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.522 14.658 13.429 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.090 11.593 13.878 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.641 12.228 14.475 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.230 12.363 12.749 1.00 0.00 H new ATOM 657 N ASN A 41 -6.273 17.042 13.387 1.00 0.00 N ATOM 658 CA ASN A 41 -5.658 18.324 13.690 1.00 0.00 C ATOM 659 C ASN A 41 -6.310 19.449 12.888 1.00 0.00 C ATOM 660 O ASN A 41 -5.621 20.196 12.194 1.00 0.00 O ATOM 661 CB ASN A 41 -4.163 18.272 13.371 1.00 0.00 C ATOM 662 CG ASN A 41 -3.402 17.341 14.286 1.00 0.00 C ATOM 663 OD1 ASN A 41 -3.387 16.129 14.090 1.00 0.00 O ATOM 664 ND2 ASN A 41 -2.749 17.908 15.277 1.00 0.00 N ATOM 0 H ASN A 41 -6.436 16.878 12.394 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.802 18.526 14.751 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.027 17.951 12.338 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.744 19.275 13.450 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.202 17.336 15.920 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.790 18.919 15.402 1.00 0.00 H new ATOM 671 N PRO A 42 -7.647 19.608 12.983 1.00 0.00 N ATOM 672 CA PRO A 42 -8.389 20.634 12.233 1.00 0.00 C ATOM 673 C PRO A 42 -8.126 22.051 12.746 1.00 0.00 C ATOM 674 O PRO A 42 -9.027 22.887 12.775 1.00 0.00 O ATOM 675 CB PRO A 42 -9.866 20.265 12.452 1.00 0.00 C ATOM 676 CG PRO A 42 -9.860 18.920 13.097 1.00 0.00 C ATOM 677 CD PRO A 42 -8.551 18.810 13.820 1.00 0.00 C ATOM 0 HA PRO A 42 -8.088 20.645 11.186 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.362 21.000 13.086 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -10.407 20.242 11.506 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.697 18.816 13.788 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.961 18.130 12.352 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.615 19.204 14.834 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.219 17.775 13.900 1.00 0.00 H new ATOM 685 N ARG A 43 -6.894 22.311 13.154 1.00 0.00 N ATOM 686 CA ARG A 43 -6.508 23.627 13.629 1.00 0.00 C ATOM 687 C ARG A 43 -5.172 24.064 13.030 1.00 0.00 C ATOM 688 O ARG A 43 -4.767 25.217 13.174 1.00 0.00 O ATOM 689 CB ARG A 43 -6.413 23.648 15.153 1.00 0.00 C ATOM 690 CG ARG A 43 -5.242 22.866 15.728 1.00 0.00 C ATOM 691 CD ARG A 43 -5.630 21.447 16.112 1.00 0.00 C ATOM 692 NE ARG A 43 -4.534 20.762 16.799 1.00 0.00 N ATOM 693 CZ ARG A 43 -4.642 19.583 17.410 1.00 0.00 C ATOM 694 NH1 ARG A 43 -5.810 18.957 17.471 1.00 0.00 N ATOM 695 NH2 ARG A 43 -3.575 19.042 17.981 1.00 0.00 N ATOM 0 H ARG A 43 -6.141 21.623 13.165 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.280 24.326 13.308 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.338 24.684 15.484 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -7.338 23.247 15.567 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.435 22.834 14.996 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.857 23.385 16.606 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.508 21.470 16.757 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.906 20.889 15.217 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.623 21.220 16.811 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.637 19.378 17.048 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.881 18.055 17.941 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.679 19.528 17.951 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -3.650 18.140 18.451 1.00 0.00 H new ATOM 709 N ALA A 44 -4.484 23.144 12.364 1.00 0.00 N ATOM 710 CA ALA A 44 -3.168 23.445 11.820 1.00 0.00 C ATOM 711 C ALA A 44 -3.198 23.497 10.301 1.00 0.00 C ATOM 712 O ALA A 44 -2.156 23.499 9.647 1.00 0.00 O ATOM 713 CB ALA A 44 -2.143 22.437 12.311 1.00 0.00 C ATOM 0 H ALA A 44 -4.812 22.194 12.190 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.874 24.432 12.177 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.166 22.679 11.893 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.091 22.471 13.399 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.436 21.436 11.993 1.00 0.00 H new ATOM 719 N GLY A 45 -4.409 23.528 9.759 1.00 0.00 N ATOM 720 CA GLY A 45 -4.607 23.740 8.336 1.00 0.00 C ATOM 721 C GLY A 45 -3.952 22.681 7.474 1.00 0.00 C ATOM 722 O GLY A 45 -3.324 23.003 6.472 1.00 0.00 O ATOM 0 H GLY A 45 -5.272 23.408 10.290 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.676 23.760 8.124 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.209 24.717 8.063 1.00 0.00 H new ATOM 726 N LEU A 46 -4.097 21.421 7.863 1.00 0.00 N ATOM 727 CA LEU A 46 -3.481 20.328 7.124 1.00 0.00 C ATOM 728 C LEU A 46 -4.318 19.970 5.905 1.00 0.00 C ATOM 729 O LEU A 46 -5.439 19.480 6.027 1.00 0.00 O ATOM 730 CB LEU A 46 -3.286 19.095 8.017 1.00 0.00 C ATOM 731 CG LEU A 46 -2.404 19.330 9.245 1.00 0.00 C ATOM 732 CD1 LEU A 46 -3.223 19.856 10.401 1.00 0.00 C ATOM 733 CD2 LEU A 46 -1.683 18.062 9.648 1.00 0.00 C ATOM 0 H LEU A 46 -4.633 21.132 8.681 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.499 20.662 6.790 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.263 18.746 8.350 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.848 18.296 7.419 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.657 20.078 8.979 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.575 20.016 11.263 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.689 20.800 10.117 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.997 19.132 10.658 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.064 18.258 10.523 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.413 17.288 9.886 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.052 17.725 8.825 1.00 0.00 H new ATOM 745 N GLU A 47 -3.773 20.250 4.735 1.00 0.00 N ATOM 746 CA GLU A 47 -4.427 19.943 3.488 1.00 0.00 C ATOM 747 C GLU A 47 -3.510 19.085 2.626 1.00 0.00 C ATOM 748 O GLU A 47 -2.314 19.358 2.530 1.00 0.00 O ATOM 749 CB GLU A 47 -4.792 21.247 2.771 1.00 0.00 C ATOM 750 CG GLU A 47 -3.837 22.392 3.079 1.00 0.00 C ATOM 751 CD GLU A 47 -4.198 23.682 2.367 1.00 0.00 C ATOM 752 OE1 GLU A 47 -5.217 24.304 2.729 1.00 0.00 O ATOM 753 OE2 GLU A 47 -3.454 24.082 1.442 1.00 0.00 O ATOM 0 H GLU A 47 -2.863 20.698 4.629 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.342 19.382 3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.802 21.071 1.695 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.803 21.539 3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.828 22.569 4.154 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.826 22.099 2.795 1.00 0.00 H new ATOM 760 N LYS A 48 -4.074 18.031 2.040 1.00 0.00 N ATOM 761 CA LYS A 48 -3.340 17.138 1.141 1.00 0.00 C ATOM 762 C LYS A 48 -2.028 16.645 1.742 1.00 0.00 C ATOM 763 O LYS A 48 -2.027 15.822 2.656 1.00 0.00 O ATOM 764 CB LYS A 48 -3.083 17.817 -0.202 1.00 0.00 C ATOM 765 CG LYS A 48 -4.308 17.828 -1.096 1.00 0.00 C ATOM 766 CD LYS A 48 -4.719 16.410 -1.453 1.00 0.00 C ATOM 767 CE LYS A 48 -6.110 16.356 -2.057 1.00 0.00 C ATOM 768 NZ LYS A 48 -6.504 14.961 -2.377 1.00 0.00 N ATOM 0 H LYS A 48 -5.051 17.771 2.174 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.971 16.263 0.987 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.755 18.842 -0.029 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.269 17.304 -0.714 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.130 18.335 -0.590 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.097 18.392 -2.005 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.001 15.991 -2.158 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.688 15.788 -0.559 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.828 16.789 -1.361 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.140 16.962 -2.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.459 14.956 -2.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.831 14.558 -3.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.498 14.391 -1.507 1.00 0.00 H new ATOM 782 N ASN A 49 -0.914 17.160 1.228 1.00 0.00 N ATOM 783 CA ASN A 49 0.404 16.776 1.703 1.00 0.00 C ATOM 784 C ASN A 49 1.291 18.004 1.840 1.00 0.00 C ATOM 785 O ASN A 49 2.507 17.895 1.989 1.00 0.00 O ATOM 786 CB ASN A 49 1.052 15.759 0.758 1.00 0.00 C ATOM 787 CG ASN A 49 1.386 16.318 -0.611 1.00 0.00 C ATOM 788 OD1 ASN A 49 0.668 17.162 -1.152 1.00 0.00 O ATOM 789 ND2 ASN A 49 2.493 15.850 -1.177 1.00 0.00 N ATOM 0 H ASN A 49 -0.903 17.850 0.477 1.00 0.00 H new ATOM 0 HA ASN A 49 0.291 16.309 2.681 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.965 15.381 1.218 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.380 14.909 0.639 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.779 16.189 -2.096 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.057 15.152 -0.693 1.00 0.00 H new ATOM 796 N TYR A 50 0.667 19.175 1.799 1.00 0.00 N ATOM 797 CA TYR A 50 1.398 20.434 1.941 1.00 0.00 C ATOM 798 C TYR A 50 1.941 20.526 3.355 1.00 0.00 C ATOM 799 O TYR A 50 1.197 20.324 4.311 1.00 0.00 O ATOM 800 CB TYR A 50 0.495 21.643 1.675 1.00 0.00 C ATOM 801 CG TYR A 50 -0.398 21.524 0.458 1.00 0.00 C ATOM 802 CD1 TYR A 50 0.115 21.540 -0.833 1.00 0.00 C ATOM 803 CD2 TYR A 50 -1.767 21.408 0.611 1.00 0.00 C ATOM 804 CE1 TYR A 50 -0.721 21.441 -1.933 1.00 0.00 C ATOM 805 CE2 TYR A 50 -2.608 21.309 -0.472 1.00 0.00 C ATOM 806 CZ TYR A 50 -2.085 21.325 -1.746 1.00 0.00 C ATOM 807 OH TYR A 50 -2.928 21.229 -2.832 1.00 0.00 O ATOM 0 H TYR A 50 -0.339 19.282 1.669 1.00 0.00 H new ATOM 0 HA TYR A 50 2.206 20.446 1.210 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -0.132 21.808 2.551 1.00 0.00 H new ATOM 0 HB3 TYR A 50 1.122 22.527 1.561 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.181 21.631 -0.981 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.186 21.395 1.606 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.309 21.454 -2.931 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.674 21.219 -0.324 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.854 21.153 -2.521 1.00 0.00 H new ATOM 817 N CYS A 51 3.221 20.846 3.485 1.00 0.00 N ATOM 818 CA CYS A 51 3.895 20.825 4.769 1.00 0.00 C ATOM 819 C CYS A 51 3.162 21.664 5.797 1.00 0.00 C ATOM 820 O CYS A 51 2.519 22.657 5.454 1.00 0.00 O ATOM 821 CB CYS A 51 5.320 21.326 4.611 1.00 0.00 C ATOM 822 SG CYS A 51 6.346 20.269 3.555 1.00 0.00 S ATOM 0 H CYS A 51 3.816 21.126 2.705 1.00 0.00 H new ATOM 0 HA CYS A 51 3.906 19.795 5.126 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.298 22.332 4.193 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.782 21.400 5.596 1.00 0.00 H new ATOM 827 N ARG A 52 3.266 21.269 7.058 1.00 0.00 N ATOM 828 CA ARG A 52 2.549 21.932 8.141 1.00 0.00 C ATOM 829 C ARG A 52 3.281 21.747 9.449 1.00 0.00 C ATOM 830 O ARG A 52 4.183 20.921 9.549 1.00 0.00 O ATOM 831 CB ARG A 52 1.125 21.384 8.281 1.00 0.00 C ATOM 832 CG ARG A 52 0.150 21.983 7.292 1.00 0.00 C ATOM 833 CD ARG A 52 0.337 23.486 7.222 1.00 0.00 C ATOM 834 NE ARG A 52 -0.723 24.154 6.486 1.00 0.00 N ATOM 835 CZ ARG A 52 -0.762 24.270 5.150 1.00 0.00 C ATOM 836 NH1 ARG A 52 0.240 23.811 4.403 1.00 0.00 N ATOM 837 NH2 ARG A 52 -1.800 24.861 4.562 1.00 0.00 N ATOM 0 H ARG A 52 3.845 20.485 7.359 1.00 0.00 H new ATOM 0 HA ARG A 52 2.496 22.993 7.897 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.146 20.302 8.150 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.768 21.575 9.293 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.303 21.543 6.306 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.872 21.749 7.590 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.380 23.889 8.234 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.295 23.706 6.750 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.489 24.562 7.021 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.045 23.367 4.846 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.203 23.903 3.388 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.566 25.226 5.127 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.829 24.949 3.546 1.00 0.00 H new ATOM 851 N ASN A 53 2.911 22.521 10.452 1.00 0.00 N ATOM 852 CA ASN A 53 3.429 22.274 11.782 1.00 0.00 C ATOM 853 C ASN A 53 2.284 22.175 12.784 1.00 0.00 C ATOM 854 O ASN A 53 1.996 23.136 13.498 1.00 0.00 O ATOM 855 CB ASN A 53 4.414 23.365 12.215 1.00 0.00 C ATOM 856 CG ASN A 53 5.426 22.831 13.198 1.00 0.00 C ATOM 857 OD1 ASN A 53 5.194 21.805 13.839 1.00 0.00 O ATOM 858 ND2 ASN A 53 6.532 23.538 13.355 1.00 0.00 N ATOM 0 H ASN A 53 2.268 23.309 10.374 1.00 0.00 H new ATOM 0 HA ASN A 53 3.968 21.327 11.757 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.928 23.762 11.340 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.867 24.193 12.666 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.236 23.240 14.030 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.681 24.382 12.801 1.00 0.00 H new ATOM 865 N PRO A 54 1.605 21.008 12.843 1.00 0.00 N ATOM 866 CA PRO A 54 0.507 20.782 13.785 1.00 0.00 C ATOM 867 C PRO A 54 0.944 20.949 15.229 1.00 0.00 C ATOM 868 O PRO A 54 0.191 21.449 16.061 1.00 0.00 O ATOM 869 CB PRO A 54 0.080 19.336 13.532 1.00 0.00 C ATOM 870 CG PRO A 54 0.607 18.993 12.186 1.00 0.00 C ATOM 871 CD PRO A 54 1.844 19.832 11.989 1.00 0.00 C ATOM 0 HA PRO A 54 -0.296 21.503 13.634 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.485 18.669 14.293 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -1.005 19.236 13.565 1.00 0.00 H new ATOM 0 HG2 PRO A 54 0.843 17.931 12.120 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.133 19.204 11.414 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.744 19.295 12.289 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.974 20.115 10.944 1.00 0.00 H new ATOM 879 N ASP A 55 2.170 20.542 15.519 1.00 0.00 N ATOM 880 CA ASP A 55 2.683 20.602 16.876 1.00 0.00 C ATOM 881 C ASP A 55 3.394 21.912 17.119 1.00 0.00 C ATOM 882 O ASP A 55 3.612 22.318 18.260 1.00 0.00 O ATOM 883 CB ASP A 55 3.629 19.435 17.162 1.00 0.00 C ATOM 884 CG ASP A 55 2.922 18.268 17.821 1.00 0.00 C ATOM 885 OD1 ASP A 55 1.696 18.126 17.636 1.00 0.00 O ATOM 886 OD2 ASP A 55 3.587 17.508 18.559 1.00 0.00 O ATOM 0 H ASP A 55 2.826 20.168 14.834 1.00 0.00 H new ATOM 0 HA ASP A 55 1.833 20.529 17.554 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.083 19.102 16.229 1.00 0.00 H new ATOM 0 HB3 ASP A 55 4.439 19.777 17.806 1.00 0.00 H new ATOM 891 N GLY A 56 3.732 22.571 16.021 1.00 0.00 N ATOM 892 CA GLY A 56 4.502 23.785 16.077 1.00 0.00 C ATOM 893 C GLY A 56 5.862 23.542 16.665 1.00 0.00 C ATOM 894 O GLY A 56 6.295 24.259 17.567 1.00 0.00 O ATOM 0 H GLY A 56 3.479 22.275 15.078 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.606 24.199 15.074 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.972 24.527 16.675 1.00 0.00 H new ATOM 898 N ASP A 57 6.515 22.499 16.160 1.00 0.00 N ATOM 899 CA ASP A 57 7.896 22.218 16.503 1.00 0.00 C ATOM 900 C ASP A 57 8.709 23.482 16.320 1.00 0.00 C ATOM 901 O ASP A 57 8.607 24.134 15.277 1.00 0.00 O ATOM 902 CB ASP A 57 8.470 21.129 15.596 1.00 0.00 C ATOM 903 CG ASP A 57 9.763 20.547 16.133 1.00 0.00 C ATOM 904 OD1 ASP A 57 10.774 21.274 16.164 1.00 0.00 O ATOM 905 OD2 ASP A 57 9.768 19.362 16.536 1.00 0.00 O ATOM 0 H ASP A 57 6.102 21.833 15.507 1.00 0.00 H new ATOM 0 HA ASP A 57 7.939 21.874 17.536 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.736 20.331 15.482 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.647 21.543 14.603 1.00 0.00 H new ATOM 910 N VAL A 58 9.515 23.815 17.311 1.00 0.00 N ATOM 911 CA VAL A 58 10.269 25.061 17.295 1.00 0.00 C ATOM 912 C VAL A 58 11.438 24.969 16.312 1.00 0.00 C ATOM 913 O VAL A 58 12.294 25.853 16.243 1.00 0.00 O ATOM 914 CB VAL A 58 10.786 25.411 18.708 1.00 0.00 C ATOM 915 CG1 VAL A 58 11.193 26.875 18.792 1.00 0.00 C ATOM 916 CG2 VAL A 58 9.733 25.085 19.756 1.00 0.00 C ATOM 0 H VAL A 58 9.667 23.241 18.140 1.00 0.00 H new ATOM 0 HA VAL A 58 9.599 25.856 16.968 1.00 0.00 H new ATOM 0 HB VAL A 58 11.670 24.805 18.906 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.553 27.095 19.797 1.00 0.00 H new ATOM 0 HG12 VAL A 58 11.985 27.074 18.071 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.332 27.505 18.569 1.00 0.00 H new ATOM 0 HG21 VAL A 58 10.114 25.338 20.745 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.830 25.662 19.556 1.00 0.00 H new ATOM 0 HG23 VAL A 58 9.499 24.021 19.718 1.00 0.00 H new ATOM 926 N GLY A 59 11.462 23.891 15.544 1.00 0.00 N ATOM 927 CA GLY A 59 12.472 23.715 14.542 1.00 0.00 C ATOM 928 C GLY A 59 11.944 24.062 13.174 1.00 0.00 C ATOM 929 O GLY A 59 12.718 24.310 12.248 1.00 0.00 O ATOM 0 H GLY A 59 10.786 23.129 15.605 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.332 24.343 14.774 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.820 22.682 14.550 1.00 0.00 H new ATOM 933 N GLY A 60 10.620 24.080 13.036 1.00 0.00 N ATOM 934 CA GLY A 60 10.041 24.444 11.768 1.00 0.00 C ATOM 935 C GLY A 60 9.008 23.446 11.319 1.00 0.00 C ATOM 936 O GLY A 60 8.772 22.453 12.007 1.00 0.00 O ATOM 0 H GLY A 60 9.952 23.851 13.772 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.584 25.430 11.847 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.827 24.516 11.017 1.00 0.00 H new ATOM 940 N PRO A 61 8.386 23.670 10.159 1.00 0.00 N ATOM 941 CA PRO A 61 7.308 22.830 9.679 1.00 0.00 C ATOM 942 C PRO A 61 7.827 21.502 9.185 1.00 0.00 C ATOM 943 O PRO A 61 8.989 21.368 8.785 1.00 0.00 O ATOM 944 CB PRO A 61 6.709 23.635 8.536 1.00 0.00 C ATOM 945 CG PRO A 61 7.859 24.400 8.010 1.00 0.00 C ATOM 946 CD PRO A 61 8.710 24.736 9.204 1.00 0.00 C ATOM 0 HA PRO A 61 6.584 22.591 10.458 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.276 22.988 7.774 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.914 24.295 8.884 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.420 23.812 7.283 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.527 25.304 7.500 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.771 24.743 8.953 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.471 25.721 9.604 1.00 0.00 H new ATOM 954 N TRP A 62 6.953 20.538 9.185 1.00 0.00 N ATOM 955 CA TRP A 62 7.323 19.182 8.918 1.00 0.00 C ATOM 956 C TRP A 62 6.209 18.501 8.161 1.00 0.00 C ATOM 957 O TRP A 62 5.245 19.142 7.733 1.00 0.00 O ATOM 958 CB TRP A 62 7.600 18.455 10.237 1.00 0.00 C ATOM 959 CG TRP A 62 6.435 18.478 11.178 1.00 0.00 C ATOM 960 CD1 TRP A 62 6.020 19.528 11.929 1.00 0.00 C ATOM 961 CD2 TRP A 62 5.542 17.405 11.465 1.00 0.00 C ATOM 962 NE1 TRP A 62 4.913 19.176 12.664 1.00 0.00 N ATOM 963 CE2 TRP A 62 4.605 17.878 12.398 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.443 16.099 11.021 1.00 0.00 C ATOM 965 CZ2 TRP A 62 3.584 17.084 12.900 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.430 15.307 11.517 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.511 15.802 12.445 1.00 0.00 C ATOM 0 H TRP A 62 5.959 20.673 9.371 1.00 0.00 H new ATOM 0 HA TRP A 62 8.228 19.158 8.312 1.00 0.00 H new ATOM 0 HB2 TRP A 62 7.867 17.420 10.025 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.461 18.913 10.723 1.00 0.00 H new ATOM 0 HD1 TRP A 62 6.491 20.500 11.947 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.406 19.788 13.304 1.00 0.00 H new ATOM 0 HE3 TRP A 62 6.145 15.708 10.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 2.877 17.466 13.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.345 14.284 11.182 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.727 15.155 12.809 1.00 0.00 H new ATOM 978 N CYS A 63 6.361 17.216 7.985 1.00 0.00 N ATOM 979 CA CYS A 63 5.382 16.411 7.304 1.00 0.00 C ATOM 980 C CYS A 63 5.714 14.949 7.512 1.00 0.00 C ATOM 981 O CYS A 63 6.681 14.626 8.194 1.00 0.00 O ATOM 982 CB CYS A 63 5.360 16.754 5.816 1.00 0.00 C ATOM 983 SG CYS A 63 6.896 16.357 4.922 1.00 0.00 S ATOM 0 H CYS A 63 7.174 16.694 8.313 1.00 0.00 H new ATOM 0 HA CYS A 63 4.391 16.614 7.711 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.534 16.221 5.346 1.00 0.00 H new ATOM 0 HB3 CYS A 63 5.156 17.819 5.705 1.00 0.00 H new ATOM 988 N TYR A 64 4.922 14.074 6.934 1.00 0.00 N ATOM 989 CA TYR A 64 5.244 12.663 6.920 1.00 0.00 C ATOM 990 C TYR A 64 5.814 12.355 5.565 1.00 0.00 C ATOM 991 O TYR A 64 5.397 12.957 4.588 1.00 0.00 O ATOM 992 CB TYR A 64 4.013 11.817 7.222 1.00 0.00 C ATOM 993 CG TYR A 64 3.703 11.760 8.698 1.00 0.00 C ATOM 994 CD1 TYR A 64 4.467 10.972 9.542 1.00 0.00 C ATOM 995 CD2 TYR A 64 2.662 12.491 9.247 1.00 0.00 C ATOM 996 CE1 TYR A 64 4.203 10.907 10.895 1.00 0.00 C ATOM 997 CE2 TYR A 64 2.389 12.430 10.601 1.00 0.00 C ATOM 998 CZ TYR A 64 3.164 11.635 11.419 1.00 0.00 C ATOM 999 OH TYR A 64 2.894 11.565 12.763 1.00 0.00 O ATOM 0 H TYR A 64 4.048 14.314 6.466 1.00 0.00 H new ATOM 0 HA TYR A 64 5.971 12.423 7.696 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.155 12.226 6.689 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.169 10.806 6.847 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.285 10.397 9.134 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.056 13.117 8.609 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.810 10.287 11.538 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.573 13.002 11.016 1.00 0.00 H new ATOM 0 HH TYR A 64 3.273 12.348 13.214 1.00 0.00 H new ATOM 1009 N THR A 65 6.772 11.462 5.478 1.00 0.00 N ATOM 1010 CA THR A 65 7.476 11.304 4.226 1.00 0.00 C ATOM 1011 C THR A 65 6.975 10.065 3.520 1.00 0.00 C ATOM 1012 O THR A 65 6.599 9.091 4.170 1.00 0.00 O ATOM 1013 CB THR A 65 9.004 11.192 4.434 1.00 0.00 C ATOM 1014 OG1 THR A 65 9.364 9.830 4.690 1.00 0.00 O ATOM 1015 CG2 THR A 65 9.472 12.056 5.595 1.00 0.00 C ATOM 0 H THR A 65 7.076 10.850 6.235 1.00 0.00 H new ATOM 0 HA THR A 65 7.284 12.190 3.621 1.00 0.00 H new ATOM 0 HB THR A 65 9.488 11.543 3.523 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.358 9.666 5.656 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.551 11.953 5.713 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.226 13.099 5.395 1.00 0.00 H new ATOM 0 HG23 THR A 65 8.975 11.736 6.511 1.00 0.00 H new ATOM 1023 N THR A 66 6.938 10.098 2.201 1.00 0.00 N ATOM 1024 CA THR A 66 6.706 8.887 1.446 1.00 0.00 C ATOM 1025 C THR A 66 8.021 8.103 1.303 1.00 0.00 C ATOM 1026 O THR A 66 8.217 7.346 0.355 1.00 0.00 O ATOM 1027 CB THR A 66 6.097 9.198 0.064 1.00 0.00 C ATOM 1028 OG1 THR A 66 6.917 10.138 -0.635 1.00 0.00 O ATOM 1029 CG2 THR A 66 4.688 9.760 0.209 1.00 0.00 C ATOM 0 H THR A 66 7.064 10.940 1.639 1.00 0.00 H new ATOM 0 HA THR A 66 5.986 8.273 1.988 1.00 0.00 H new ATOM 0 HB THR A 66 6.048 8.268 -0.503 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.723 10.091 -1.594 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.278 9.972 -0.778 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.056 9.031 0.716 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.721 10.680 0.793 1.00 0.00 H new ATOM 1037 N ASN A 67 8.906 8.292 2.283 1.00 0.00 N ATOM 1038 CA ASN A 67 10.221 7.660 2.313 1.00 0.00 C ATOM 1039 C ASN A 67 10.206 6.480 3.285 1.00 0.00 C ATOM 1040 O ASN A 67 9.944 6.658 4.476 1.00 0.00 O ATOM 1041 CB ASN A 67 11.264 8.696 2.757 1.00 0.00 C ATOM 1042 CG ASN A 67 12.691 8.199 2.755 1.00 0.00 C ATOM 1043 OD1 ASN A 67 12.957 7.002 2.760 1.00 0.00 O ATOM 1044 ND2 ASN A 67 13.624 9.131 2.798 1.00 0.00 N ATOM 0 H ASN A 67 8.726 8.895 3.086 1.00 0.00 H new ATOM 0 HA ASN A 67 10.476 7.291 1.319 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.195 9.564 2.101 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.014 9.035 3.762 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.608 8.866 2.837 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.361 10.117 2.792 1.00 0.00 H new ATOM 1051 N PRO A 68 10.499 5.262 2.797 1.00 0.00 N ATOM 1052 CA PRO A 68 10.491 4.039 3.619 1.00 0.00 C ATOM 1053 C PRO A 68 11.568 4.025 4.704 1.00 0.00 C ATOM 1054 O PRO A 68 11.684 3.062 5.464 1.00 0.00 O ATOM 1055 CB PRO A 68 10.740 2.911 2.604 1.00 0.00 C ATOM 1056 CG PRO A 68 10.486 3.519 1.266 1.00 0.00 C ATOM 1057 CD PRO A 68 10.846 4.967 1.398 1.00 0.00 C ATOM 0 HA PRO A 68 9.553 3.945 4.166 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.760 2.535 2.677 1.00 0.00 H new ATOM 0 HB3 PRO A 68 10.075 2.066 2.784 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.088 3.035 0.497 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.442 3.401 0.975 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.903 5.141 1.198 1.00 0.00 H new ATOM 0 HD3 PRO A 68 10.283 5.589 0.702 1.00 0.00 H new ATOM 1065 N ARG A 69 12.353 5.086 4.769 1.00 0.00 N ATOM 1066 CA ARG A 69 13.374 5.224 5.787 1.00 0.00 C ATOM 1067 C ARG A 69 12.807 5.785 7.083 1.00 0.00 C ATOM 1068 O ARG A 69 12.979 5.195 8.147 1.00 0.00 O ATOM 1069 CB ARG A 69 14.471 6.135 5.270 1.00 0.00 C ATOM 1070 CG ARG A 69 15.384 5.465 4.261 1.00 0.00 C ATOM 1071 CD ARG A 69 16.193 4.351 4.907 1.00 0.00 C ATOM 1072 NE ARG A 69 16.826 4.801 6.144 1.00 0.00 N ATOM 1073 CZ ARG A 69 17.360 3.993 7.054 1.00 0.00 C ATOM 1074 NH1 ARG A 69 17.453 2.689 6.830 1.00 0.00 N ATOM 1075 NH2 ARG A 69 17.827 4.503 8.184 1.00 0.00 N ATOM 0 H ARG A 69 12.300 5.871 4.120 1.00 0.00 H new ATOM 0 HA ARG A 69 13.775 4.234 6.005 1.00 0.00 H new ATOM 0 HB2 ARG A 69 14.017 7.014 4.811 1.00 0.00 H new ATOM 0 HB3 ARG A 69 15.068 6.487 6.112 1.00 0.00 H new ATOM 0 HG2 ARG A 69 14.790 5.059 3.442 1.00 0.00 H new ATOM 0 HG3 ARG A 69 16.058 6.205 3.829 1.00 0.00 H new ATOM 0 HD2 ARG A 69 15.543 3.502 5.117 1.00 0.00 H new ATOM 0 HD3 ARG A 69 16.957 4.003 4.211 1.00 0.00 H new ATOM 0 HE ARG A 69 16.861 5.805 6.322 1.00 0.00 H new ATOM 0 HH11 ARG A 69 17.113 2.297 5.952 1.00 0.00 H new ATOM 0 HH12 ARG A 69 17.865 2.078 7.536 1.00 0.00 H new ATOM 0 HH21 ARG A 69 17.775 5.508 8.350 1.00 0.00 H new ATOM 0 HH22 ARG A 69 18.239 3.891 8.888 1.00 0.00 H new ATOM 1089 N LYS A 70 12.127 6.918 6.994 1.00 0.00 N ATOM 1090 CA LYS A 70 11.619 7.581 8.185 1.00 0.00 C ATOM 1091 C LYS A 70 10.157 7.963 8.016 1.00 0.00 C ATOM 1092 O LYS A 70 9.686 8.218 6.909 1.00 0.00 O ATOM 1093 CB LYS A 70 12.465 8.814 8.553 1.00 0.00 C ATOM 1094 CG LYS A 70 12.480 9.937 7.524 1.00 0.00 C ATOM 1095 CD LYS A 70 13.494 9.688 6.420 1.00 0.00 C ATOM 1096 CE LYS A 70 13.905 10.986 5.744 1.00 0.00 C ATOM 1097 NZ LYS A 70 14.649 11.890 6.667 1.00 0.00 N ATOM 0 H LYS A 70 11.915 7.394 6.117 1.00 0.00 H new ATOM 0 HA LYS A 70 11.694 6.871 9.008 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.096 9.216 9.497 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.491 8.489 8.724 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.487 10.041 7.087 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.710 10.880 8.020 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.374 9.198 6.836 1.00 0.00 H new ATOM 0 HD3 LYS A 70 13.070 9.009 5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.528 10.761 4.878 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.017 11.498 5.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 15.258 12.526 6.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.973 12.453 7.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.236 11.322 7.311 1.00 0.00 H new ATOM 1111 N LEU A 71 9.450 7.975 9.133 1.00 0.00 N ATOM 1112 CA LEU A 71 8.025 8.261 9.162 1.00 0.00 C ATOM 1113 C LEU A 71 7.753 9.722 8.842 1.00 0.00 C ATOM 1114 O LEU A 71 6.891 10.028 8.020 1.00 0.00 O ATOM 1115 CB LEU A 71 7.466 7.899 10.546 1.00 0.00 C ATOM 1116 CG LEU A 71 5.951 8.012 10.711 1.00 0.00 C ATOM 1117 CD1 LEU A 71 5.240 6.956 9.886 1.00 0.00 C ATOM 1118 CD2 LEU A 71 5.565 7.879 12.174 1.00 0.00 C ATOM 0 H LEU A 71 9.851 7.785 10.052 1.00 0.00 H new ATOM 0 HA LEU A 71 7.528 7.660 8.400 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.761 6.876 10.778 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.941 8.543 11.287 1.00 0.00 H new ATOM 0 HG LEU A 71 5.643 8.995 10.354 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.163 7.055 10.019 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.490 7.088 8.833 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.556 5.965 10.213 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.483 7.962 12.274 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.891 6.909 12.550 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.044 8.671 12.750 1.00 0.00 H new ATOM 1130 N TYR A 72 8.507 10.617 9.452 1.00 0.00 N ATOM 1131 CA TYR A 72 8.297 12.038 9.245 1.00 0.00 C ATOM 1132 C TYR A 72 9.631 12.761 9.216 1.00 0.00 C ATOM 1133 O TYR A 72 10.646 12.222 9.654 1.00 0.00 O ATOM 1134 CB TYR A 72 7.398 12.629 10.348 1.00 0.00 C ATOM 1135 CG TYR A 72 8.112 12.970 11.641 1.00 0.00 C ATOM 1136 CD1 TYR A 72 8.285 12.023 12.643 1.00 0.00 C ATOM 1137 CD2 TYR A 72 8.604 14.253 11.860 1.00 0.00 C ATOM 1138 CE1 TYR A 72 8.929 12.345 13.824 1.00 0.00 C ATOM 1139 CE2 TYR A 72 9.247 14.581 13.036 1.00 0.00 C ATOM 1140 CZ TYR A 72 9.409 13.625 14.014 1.00 0.00 C ATOM 1141 OH TYR A 72 10.044 13.952 15.192 1.00 0.00 O ATOM 0 H TYR A 72 9.267 10.387 10.092 1.00 0.00 H new ATOM 0 HA TYR A 72 7.795 12.174 8.287 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.923 13.532 9.964 1.00 0.00 H new ATOM 0 HB3 TYR A 72 6.602 11.918 10.567 1.00 0.00 H new ATOM 0 HD1 TYR A 72 7.911 11.020 12.497 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.480 15.006 11.096 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.056 11.598 14.594 1.00 0.00 H new ATOM 0 HE2 TYR A 72 9.621 15.582 13.189 1.00 0.00 H new ATOM 0 HH TYR A 72 10.322 14.891 15.164 1.00 0.00 H new ATOM 1151 N ASP A 73 9.618 13.970 8.684 1.00 0.00 N ATOM 1152 CA ASP A 73 10.813 14.802 8.614 1.00 0.00 C ATOM 1153 C ASP A 73 10.399 16.261 8.505 1.00 0.00 C ATOM 1154 O ASP A 73 9.213 16.566 8.516 1.00 0.00 O ATOM 1155 CB ASP A 73 11.673 14.410 7.413 1.00 0.00 C ATOM 1156 CG ASP A 73 13.118 14.826 7.572 1.00 0.00 C ATOM 1157 OD1 ASP A 73 13.882 14.086 8.226 1.00 0.00 O ATOM 1158 OD2 ASP A 73 13.505 15.876 7.030 1.00 0.00 O ATOM 0 H ASP A 73 8.784 14.404 8.289 1.00 0.00 H new ATOM 0 HA ASP A 73 11.404 14.654 9.518 1.00 0.00 H new ATOM 0 HB2 ASP A 73 11.623 13.330 7.272 1.00 0.00 H new ATOM 0 HB3 ASP A 73 11.264 14.868 6.513 1.00 0.00 H new ATOM 1163 N TYR A 74 11.367 17.150 8.390 1.00 0.00 N ATOM 1164 CA TYR A 74 11.088 18.574 8.315 1.00 0.00 C ATOM 1165 C TYR A 74 11.098 19.028 6.871 1.00 0.00 C ATOM 1166 O TYR A 74 11.731 18.404 6.028 1.00 0.00 O ATOM 1167 CB TYR A 74 12.128 19.363 9.103 1.00 0.00 C ATOM 1168 CG TYR A 74 12.155 19.024 10.576 1.00 0.00 C ATOM 1169 CD1 TYR A 74 12.927 17.967 11.039 1.00 0.00 C ATOM 1170 CD2 TYR A 74 11.408 19.751 11.504 1.00 0.00 C ATOM 1171 CE1 TYR A 74 12.958 17.642 12.376 1.00 0.00 C ATOM 1172 CE2 TYR A 74 11.440 19.426 12.846 1.00 0.00 C ATOM 1173 CZ TYR A 74 12.216 18.371 13.272 1.00 0.00 C ATOM 1174 OH TYR A 74 12.255 18.045 14.605 1.00 0.00 O ATOM 0 H TYR A 74 12.358 16.911 8.346 1.00 0.00 H new ATOM 0 HA TYR A 74 10.103 18.756 8.746 1.00 0.00 H new ATOM 0 HB2 TYR A 74 13.114 19.175 8.677 1.00 0.00 H new ATOM 0 HB3 TYR A 74 11.928 20.428 8.987 1.00 0.00 H new ATOM 0 HD1 TYR A 74 13.513 17.390 10.338 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.798 20.577 11.169 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.564 16.816 12.719 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.860 19.996 13.557 1.00 0.00 H new ATOM 0 HH TYR A 74 11.677 18.656 15.108 1.00 0.00 H new ATOM 1184 N CYS A 75 10.404 20.115 6.594 1.00 0.00 N ATOM 1185 CA CYS A 75 10.329 20.646 5.244 1.00 0.00 C ATOM 1186 C CYS A 75 11.217 21.868 5.089 1.00 0.00 C ATOM 1187 O CYS A 75 11.786 22.369 6.061 1.00 0.00 O ATOM 1188 CB CYS A 75 8.894 21.022 4.905 1.00 0.00 C ATOM 1189 SG CYS A 75 7.758 19.614 4.844 1.00 0.00 S ATOM 0 H CYS A 75 9.882 20.650 7.288 1.00 0.00 H new ATOM 0 HA CYS A 75 10.675 19.870 4.561 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.532 21.736 5.645 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.880 21.529 3.940 1.00 0.00 H new ATOM 1194 N ASP A 76 11.321 22.352 3.864 1.00 0.00 N ATOM 1195 CA ASP A 76 12.128 23.522 3.576 1.00 0.00 C ATOM 1196 C ASP A 76 11.268 24.633 2.992 1.00 0.00 C ATOM 1197 O ASP A 76 11.322 24.919 1.798 1.00 0.00 O ATOM 1198 CB ASP A 76 13.271 23.171 2.620 1.00 0.00 C ATOM 1199 CG ASP A 76 14.239 24.324 2.440 1.00 0.00 C ATOM 1200 OD1 ASP A 76 14.969 24.635 3.401 1.00 0.00 O ATOM 1201 OD2 ASP A 76 14.260 24.935 1.347 1.00 0.00 O ATOM 0 H ASP A 76 10.854 21.950 3.051 1.00 0.00 H new ATOM 0 HA ASP A 76 12.561 23.875 4.512 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.809 22.303 3.002 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.859 22.890 1.651 1.00 0.00 H new ATOM 1206 N VAL A 77 10.436 25.228 3.834 1.00 0.00 N ATOM 1207 CA VAL A 77 9.653 26.379 3.431 1.00 0.00 C ATOM 1208 C VAL A 77 10.174 27.644 4.100 1.00 0.00 C ATOM 1209 O VAL A 77 10.395 27.680 5.310 1.00 0.00 O ATOM 1210 CB VAL A 77 8.153 26.197 3.737 1.00 0.00 C ATOM 1211 CG1 VAL A 77 7.925 25.759 5.163 1.00 0.00 C ATOM 1212 CG2 VAL A 77 7.384 27.468 3.436 1.00 0.00 C ATOM 0 H VAL A 77 10.288 24.931 4.798 1.00 0.00 H new ATOM 0 HA VAL A 77 9.760 26.475 2.351 1.00 0.00 H new ATOM 0 HB VAL A 77 7.780 25.406 3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.856 25.641 5.341 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.429 24.808 5.336 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.325 26.511 5.843 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.328 27.316 3.659 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.771 28.281 4.050 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.499 27.722 2.382 1.00 0.00 H new ATOM 1222 N PRO A 78 10.398 28.682 3.292 1.00 0.00 N ATOM 1223 CA PRO A 78 10.902 29.979 3.751 1.00 0.00 C ATOM 1224 C PRO A 78 10.020 30.642 4.783 1.00 0.00 C ATOM 1225 O PRO A 78 8.810 30.408 4.859 1.00 0.00 O ATOM 1226 CB PRO A 78 10.944 30.826 2.469 1.00 0.00 C ATOM 1227 CG PRO A 78 10.068 30.106 1.493 1.00 0.00 C ATOM 1228 CD PRO A 78 10.195 28.660 1.839 1.00 0.00 C ATOM 0 HA PRO A 78 11.866 29.867 4.248 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.580 31.837 2.653 1.00 0.00 H new ATOM 0 HB3 PRO A 78 11.962 30.918 2.091 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.033 30.440 1.573 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.385 30.294 0.467 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.301 28.100 1.565 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.034 28.194 1.322 1.00 0.00 H new ATOM 1236 N GLN A 79 10.659 31.469 5.577 1.00 0.00 N ATOM 1237 CA GLN A 79 9.999 32.214 6.613 1.00 0.00 C ATOM 1238 C GLN A 79 9.216 33.372 6.014 1.00 0.00 C ATOM 1239 O GLN A 79 9.790 34.307 5.463 1.00 0.00 O ATOM 1240 CB GLN A 79 11.027 32.723 7.622 1.00 0.00 C ATOM 1241 CG GLN A 79 10.408 33.507 8.748 1.00 0.00 C ATOM 1242 CD GLN A 79 9.412 32.684 9.524 1.00 0.00 C ATOM 1243 OE1 GLN A 79 8.409 33.214 9.981 1.00 0.00 O ATOM 1244 NE2 GLN A 79 9.683 31.384 9.668 1.00 0.00 N ATOM 0 H GLN A 79 11.662 31.642 5.518 1.00 0.00 H new ATOM 0 HA GLN A 79 9.297 31.559 7.130 1.00 0.00 H new ATOM 0 HB2 GLN A 79 11.574 31.875 8.035 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.754 33.350 7.106 1.00 0.00 H new ATOM 0 HG2 GLN A 79 11.191 33.858 9.420 1.00 0.00 H new ATOM 0 HG3 GLN A 79 9.914 34.391 8.346 1.00 0.00 H new ATOM 0 HE21 GLN A 79 10.535 30.993 9.266 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.038 30.782 10.180 1.00 0.00 H new ATOM 1253 N CYS A 80 7.905 33.283 6.111 1.00 0.00 N ATOM 1254 CA CYS A 80 7.024 34.315 5.611 1.00 0.00 C ATOM 1255 C CYS A 80 7.049 35.504 6.558 1.00 0.00 C ATOM 1256 O CYS A 80 7.083 36.660 6.133 1.00 0.00 O ATOM 1257 CB CYS A 80 5.597 33.784 5.480 1.00 0.00 C ATOM 1258 SG CYS A 80 4.723 34.383 4.001 1.00 0.00 S ATOM 0 H CYS A 80 7.422 32.493 6.539 1.00 0.00 H new ATOM 0 HA CYS A 80 7.368 34.627 4.625 1.00 0.00 H new ATOM 0 HB2 CYS A 80 5.625 32.695 5.457 1.00 0.00 H new ATOM 0 HB3 CYS A 80 5.030 34.070 6.366 1.00 0.00 H new ATOM 1263 N ALA A 81 7.057 35.203 7.853 1.00 0.00 N ATOM 1264 CA ALA A 81 7.111 36.238 8.878 1.00 0.00 C ATOM 1265 C ALA A 81 8.552 36.669 9.114 1.00 0.00 C ATOM 1266 O ALA A 81 9.086 36.539 10.219 1.00 0.00 O ATOM 1267 CB ALA A 81 6.473 35.751 10.170 1.00 0.00 C ATOM 0 H ALA A 81 7.027 34.251 8.217 1.00 0.00 H new ATOM 0 HA ALA A 81 6.545 37.102 8.530 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.524 36.539 10.921 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.430 35.493 9.986 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.007 34.871 10.530 1.00 0.00 H new ATOM 1273 N ALA A 82 9.180 37.159 8.059 1.00 0.00 N ATOM 1274 CA ALA A 82 10.551 37.620 8.127 1.00 0.00 C ATOM 1275 C ALA A 82 10.690 38.953 7.407 1.00 0.00 C ATOM 1276 O ALA A 82 10.819 38.947 6.168 1.00 0.00 O ATOM 1277 CB ALA A 82 11.492 36.589 7.524 1.00 0.00 C ATOM 1278 OXT ALA A 82 10.653 40.006 8.078 1.00 0.00 O ATOM 0 H ALA A 82 8.754 37.247 7.136 1.00 0.00 H new ATOM 0 HA ALA A 82 10.821 37.757 9.174 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.518 36.953 7.584 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.407 35.652 8.075 1.00 0.00 H new ATOM 0 HB3 ALA A 82 11.227 36.421 6.480 1.00 0.00 H new TER 1284 ALA A 82