USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 614 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 THR OG1 : rot 124:sc= 0.871 USER MOD Set 1.2: A 18 THR OG1 : rot -153:sc= 1.94 USER MOD Set 1.3: A 20 THR OG1 : rot 66:sc= 1.18 USER MOD Set 1.4: A 67 ASN : amide:sc= -2.69! C(o=2.2!,f=-8.9!) USER MOD Set 1.5: A 70 LYS NZ :NH3+ -165:sc= 0.928 (180deg=0.615) USER MOD Set 2.1: A 48 LYS NZ :NH3+ 167:sc= -0.0251 (180deg=-0.181) USER MOD Set 2.2: A 50 TYR OH : rot 30:sc= -0.0286 USER MOD Set 3.1: A 37 THR OG1 : rot -63:sc= 1.23 USER MOD Set 3.2: A 40 THR OG1 : rot -160:sc= 1.9 USER MOD Set 3.3: A 41 ASN : amide:sc= -2.49! C(o=0.63!,f=-2.1!) USER MOD Set 4.1: A 28 GLN : amide:sc= -1.21 K(o=-1.2,f=-9.9!) USER MOD Set 4.2: A 34 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 23 GLN : amide:sc= -1.22 K(o=-6.6,f=-16!) USER MOD Set 5.2: A 31 HIS : no HD1:sc= -2.07 K(o=-6.6,f=-8.8!) USER MOD Set 5.3: A 33 HIS : no HD1:sc= -3.3! C(o=-6.6!,f=-12!) USER MOD Set 6.1: A -3 ASN : amide:sc= -2.42! K(o=-2.5!,f=-1.5) USER MOD Set 6.2: A 12 LYS NZ :NH3+ -167:sc= -0.055 (180deg=-0.272) USER MOD Set 7.1: A 2 MET CE :methyl 158:sc= 0 (180deg=-0.501) USER MOD Set 7.2: A 79 GLN : amide:sc= -0.81 K(o=-0.81,f=-12!) USER MOD Single : A 5 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 7 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0453) USER MOD Single : A 9 TYR OH : rot -130:sc= -1.54! USER MOD Single : A -4 SER N :NH3+ -137:sc= 0.117 (180deg=0) USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 1.1 K(o=1.1,f=-3!) USER MOD Single : A 53 ASN : amide:sc= 0.29 K(o=0.29,f=-9.9!) USER MOD Single : A 64 TYR OH : rot 139:sc= 0.272! USER MOD Single : A 65 THR OG1 : rot -100:sc= 0.292 USER MOD Single : A 66 THR OG1 : rot -70:sc= 0.414 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -161:sc= 1.33 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -4 2.707 37.841 -1.504 1.00 0.00 N ATOM 2 CA SER A -4 3.517 36.785 -2.149 1.00 0.00 C ATOM 3 C SER A -4 2.628 35.609 -2.547 1.00 0.00 C ATOM 4 O SER A -4 1.408 35.754 -2.634 1.00 0.00 O ATOM 5 CB SER A -4 4.612 36.315 -1.186 1.00 0.00 C ATOM 6 OG SER A -4 5.438 37.393 -0.770 1.00 0.00 O ATOM 0 H1 SER A -4 2.999 38.772 -1.865 1.00 0.00 H new ATOM 0 H2 SER A -4 1.701 37.687 -1.718 1.00 0.00 H new ATOM 0 H3 SER A -4 2.850 37.808 -0.474 1.00 0.00 H new ATOM 0 HA SER A -4 3.981 37.191 -3.048 1.00 0.00 H new ATOM 0 HB2 SER A -4 4.155 35.848 -0.314 1.00 0.00 H new ATOM 0 HB3 SER A -4 5.223 35.554 -1.672 1.00 0.00 H new ATOM 0 HG SER A -4 6.125 37.060 -0.155 1.00 0.00 H new ATOM 14 N ASN A -3 3.231 34.453 -2.793 1.00 0.00 N ATOM 15 CA ASN A -3 2.475 33.236 -3.063 1.00 0.00 C ATOM 16 C ASN A -3 1.940 32.679 -1.752 1.00 0.00 C ATOM 17 O ASN A -3 1.081 31.797 -1.734 1.00 0.00 O ATOM 18 CB ASN A -3 3.370 32.195 -3.748 1.00 0.00 C ATOM 19 CG ASN A -3 2.622 30.932 -4.142 1.00 0.00 C ATOM 20 OD1 ASN A -3 1.439 30.971 -4.470 1.00 0.00 O ATOM 21 ND2 ASN A -3 3.311 29.800 -4.113 1.00 0.00 N ATOM 0 H ASN A -3 4.244 34.332 -2.811 1.00 0.00 H new ATOM 0 HA ASN A -3 1.644 33.469 -3.728 1.00 0.00 H new ATOM 0 HB2 ASN A -3 3.817 32.638 -4.638 1.00 0.00 H new ATOM 0 HB3 ASN A -3 4.188 31.931 -3.078 1.00 0.00 H new ATOM 0 HD21 ASN A -3 2.860 28.922 -4.369 1.00 0.00 H new ATOM 0 HD22 ASN A -3 4.292 29.807 -3.835 1.00 0.00 H new ATOM 28 N ALA A -2 2.472 33.225 -0.653 1.00 0.00 N ATOM 29 CA ALA A -2 2.133 32.799 0.696 1.00 0.00 C ATOM 30 C ALA A -2 2.660 31.396 0.953 1.00 0.00 C ATOM 31 O ALA A -2 2.230 30.703 1.875 1.00 0.00 O ATOM 32 CB ALA A -2 0.636 32.894 0.928 1.00 0.00 C ATOM 0 H ALA A -2 3.156 33.981 -0.683 1.00 0.00 H new ATOM 0 HA ALA A -2 2.613 33.468 1.410 1.00 0.00 H new ATOM 0 HB1 ALA A -2 0.404 32.571 1.943 1.00 0.00 H new ATOM 0 HB2 ALA A -2 0.312 33.926 0.793 1.00 0.00 H new ATOM 0 HB3 ALA A -2 0.116 32.254 0.215 1.00 0.00 H new ATOM 38 N ASP A -1 3.624 31.007 0.131 1.00 0.00 N ATOM 39 CA ASP A -1 4.283 29.718 0.251 1.00 0.00 C ATOM 40 C ASP A -1 5.453 29.849 1.213 1.00 0.00 C ATOM 41 O ASP A -1 6.619 29.646 0.856 1.00 0.00 O ATOM 42 CB ASP A -1 4.756 29.236 -1.120 1.00 0.00 C ATOM 43 CG ASP A -1 5.318 27.829 -1.088 1.00 0.00 C ATOM 44 OD1 ASP A -1 4.862 27.014 -0.259 1.00 0.00 O ATOM 45 OD2 ASP A -1 6.211 27.531 -1.907 1.00 0.00 O ATOM 0 H ASP A -1 3.971 31.579 -0.639 1.00 0.00 H new ATOM 0 HA ASP A -1 3.582 28.980 0.640 1.00 0.00 H new ATOM 0 HB2 ASP A -1 3.922 29.273 -1.820 1.00 0.00 H new ATOM 0 HB3 ASP A -1 5.518 29.918 -1.496 1.00 0.00 H new ATOM 50 N CYS A 1 5.124 30.242 2.427 1.00 0.00 N ATOM 51 CA CYS A 1 6.105 30.464 3.463 1.00 0.00 C ATOM 52 C CYS A 1 5.453 30.358 4.839 1.00 0.00 C ATOM 53 O CYS A 1 4.239 30.515 4.979 1.00 0.00 O ATOM 54 CB CYS A 1 6.769 31.832 3.267 1.00 0.00 C ATOM 55 SG CYS A 1 5.754 33.065 2.370 1.00 0.00 S ATOM 0 H CYS A 1 4.163 30.416 2.721 1.00 0.00 H new ATOM 0 HA CYS A 1 6.877 29.697 3.399 1.00 0.00 H new ATOM 0 HB2 CYS A 1 7.026 32.238 4.246 1.00 0.00 H new ATOM 0 HB3 CYS A 1 7.704 31.691 2.725 1.00 0.00 H new ATOM 60 N MET A 2 6.261 30.072 5.853 1.00 0.00 N ATOM 61 CA MET A 2 5.746 29.898 7.219 1.00 0.00 C ATOM 62 C MET A 2 5.886 31.143 8.072 1.00 0.00 C ATOM 63 O MET A 2 6.759 31.963 7.857 1.00 0.00 O ATOM 64 CB MET A 2 6.463 28.758 7.942 1.00 0.00 C ATOM 65 CG MET A 2 7.981 28.879 7.893 1.00 0.00 C ATOM 66 SD MET A 2 8.795 27.988 9.226 1.00 0.00 S ATOM 67 CE MET A 2 10.517 28.272 8.821 1.00 0.00 C ATOM 0 H MET A 2 7.270 29.955 5.763 1.00 0.00 H new ATOM 0 HA MET A 2 4.687 29.673 7.095 1.00 0.00 H new ATOM 0 HB2 MET A 2 6.140 28.736 8.983 1.00 0.00 H new ATOM 0 HB3 MET A 2 6.166 27.809 7.496 1.00 0.00 H new ATOM 0 HG2 MET A 2 8.340 28.500 6.936 1.00 0.00 H new ATOM 0 HG3 MET A 2 8.259 29.932 7.943 1.00 0.00 H new ATOM 0 HE1 MET A 2 11.128 28.139 9.714 1.00 0.00 H new ATOM 0 HE2 MET A 2 10.833 27.562 8.057 1.00 0.00 H new ATOM 0 HE3 MET A 2 10.640 29.288 8.445 1.00 0.00 H new ATOM 77 N PHE A 3 5.023 31.246 9.066 1.00 0.00 N ATOM 78 CA PHE A 3 5.053 32.342 10.003 1.00 0.00 C ATOM 79 C PHE A 3 5.498 31.805 11.348 1.00 0.00 C ATOM 80 O PHE A 3 4.730 31.145 12.041 1.00 0.00 O ATOM 81 CB PHE A 3 3.667 32.980 10.121 1.00 0.00 C ATOM 82 CG PHE A 3 3.113 33.493 8.819 1.00 0.00 C ATOM 83 CD1 PHE A 3 2.371 32.664 7.992 1.00 0.00 C ATOM 84 CD2 PHE A 3 3.325 34.803 8.427 1.00 0.00 C ATOM 85 CE1 PHE A 3 1.854 33.133 6.799 1.00 0.00 C ATOM 86 CE2 PHE A 3 2.811 35.279 7.236 1.00 0.00 C ATOM 87 CZ PHE A 3 2.074 34.442 6.421 1.00 0.00 C ATOM 0 H PHE A 3 4.282 30.568 9.242 1.00 0.00 H new ATOM 0 HA PHE A 3 5.748 33.108 9.657 1.00 0.00 H new ATOM 0 HB2 PHE A 3 2.975 32.246 10.534 1.00 0.00 H new ATOM 0 HB3 PHE A 3 3.718 33.805 10.832 1.00 0.00 H new ATOM 0 HD1 PHE A 3 2.195 31.639 8.283 1.00 0.00 H new ATOM 0 HD2 PHE A 3 3.900 35.462 9.060 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.279 32.476 6.164 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.985 36.304 6.943 1.00 0.00 H new ATOM 0 HZ PHE A 3 1.671 34.811 5.490 1.00 0.00 H new ATOM 97 N GLY A 4 6.749 32.028 11.690 1.00 0.00 N ATOM 98 CA GLY A 4 7.261 31.481 12.904 1.00 0.00 C ATOM 99 C GLY A 4 7.568 30.020 12.733 1.00 0.00 C ATOM 100 O GLY A 4 8.390 29.653 11.886 1.00 0.00 O ATOM 0 H GLY A 4 7.414 32.578 11.146 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.163 32.016 13.199 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.534 31.615 13.705 1.00 0.00 H new ATOM 104 N ASN A 5 6.826 29.199 13.471 1.00 0.00 N ATOM 105 CA ASN A 5 7.040 27.756 13.516 1.00 0.00 C ATOM 106 C ASN A 5 6.431 27.085 12.305 1.00 0.00 C ATOM 107 O ASN A 5 6.837 25.995 11.922 1.00 0.00 O ATOM 108 CB ASN A 5 6.394 27.147 14.765 1.00 0.00 C ATOM 109 CG ASN A 5 7.008 27.621 16.064 1.00 0.00 C ATOM 110 OD1 ASN A 5 8.167 28.024 16.117 1.00 0.00 O ATOM 111 ND2 ASN A 5 6.229 27.550 17.129 1.00 0.00 N ATOM 0 H ASN A 5 6.055 29.518 14.058 1.00 0.00 H new ATOM 0 HA ASN A 5 8.117 27.592 13.534 1.00 0.00 H new ATOM 0 HB2 ASN A 5 5.331 27.389 14.767 1.00 0.00 H new ATOM 0 HB3 ASN A 5 6.474 26.061 14.711 1.00 0.00 H new ATOM 0 HD21 ASN A 5 6.585 27.836 18.041 1.00 0.00 H new ATOM 0 HD22 ASN A 5 5.272 27.209 17.039 1.00 0.00 H new ATOM 118 N GLY A 6 5.432 27.723 11.717 1.00 0.00 N ATOM 119 CA GLY A 6 4.731 27.102 10.622 1.00 0.00 C ATOM 120 C GLY A 6 3.364 26.620 11.043 1.00 0.00 C ATOM 121 O GLY A 6 2.739 25.808 10.361 1.00 0.00 O ATOM 0 H GLY A 6 5.099 28.651 11.977 1.00 0.00 H new ATOM 0 HA2 GLY A 6 4.631 27.814 9.802 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.314 26.262 10.245 1.00 0.00 H new ATOM 125 N LYS A 7 2.905 27.127 12.179 1.00 0.00 N ATOM 126 CA LYS A 7 1.569 26.843 12.672 1.00 0.00 C ATOM 127 C LYS A 7 0.537 27.422 11.709 1.00 0.00 C ATOM 128 O LYS A 7 -0.420 26.750 11.323 1.00 0.00 O ATOM 129 CB LYS A 7 1.406 27.447 14.065 1.00 0.00 C ATOM 130 CG LYS A 7 2.245 26.764 15.133 1.00 0.00 C ATOM 131 CD LYS A 7 2.186 27.517 16.456 1.00 0.00 C ATOM 132 CE LYS A 7 0.794 27.483 17.075 1.00 0.00 C ATOM 133 NZ LYS A 7 0.427 26.123 17.555 1.00 0.00 N ATOM 0 H LYS A 7 3.449 27.745 12.782 1.00 0.00 H new ATOM 0 HA LYS A 7 1.417 25.766 12.737 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.674 28.503 14.026 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.356 27.395 14.353 1.00 0.00 H new ATOM 0 HG2 LYS A 7 1.891 25.743 15.278 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.280 26.697 14.797 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.902 27.081 17.152 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.486 28.553 16.297 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.751 28.185 17.908 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.062 27.817 16.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -0.465 26.172 18.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.310 25.487 16.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.180 25.758 18.173 1.00 0.00 H new ATOM 147 N GLY A 8 0.758 28.671 11.317 1.00 0.00 N ATOM 148 CA GLY A 8 -0.048 29.293 10.299 1.00 0.00 C ATOM 149 C GLY A 8 0.663 29.299 8.962 1.00 0.00 C ATOM 150 O GLY A 8 0.461 30.187 8.144 1.00 0.00 O ATOM 0 H GLY A 8 1.494 29.267 11.696 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -0.995 28.762 10.207 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -0.283 30.316 10.593 1.00 0.00 H new ATOM 154 N TYR A 9 1.531 28.315 8.758 1.00 0.00 N ATOM 155 CA TYR A 9 2.169 28.101 7.469 1.00 0.00 C ATOM 156 C TYR A 9 1.133 27.583 6.476 1.00 0.00 C ATOM 157 O TYR A 9 0.755 26.410 6.511 1.00 0.00 O ATOM 158 CB TYR A 9 3.318 27.103 7.634 1.00 0.00 C ATOM 159 CG TYR A 9 3.822 26.488 6.351 1.00 0.00 C ATOM 160 CD1 TYR A 9 3.899 27.215 5.172 1.00 0.00 C ATOM 161 CD2 TYR A 9 4.194 25.158 6.324 1.00 0.00 C ATOM 162 CE1 TYR A 9 4.321 26.624 4.002 1.00 0.00 C ATOM 163 CE2 TYR A 9 4.630 24.564 5.163 1.00 0.00 C ATOM 164 CZ TYR A 9 4.685 25.298 3.999 1.00 0.00 C ATOM 165 OH TYR A 9 5.086 24.705 2.827 1.00 0.00 O ATOM 0 H TYR A 9 1.810 27.648 9.478 1.00 0.00 H new ATOM 0 HA TYR A 9 2.576 29.038 7.088 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.149 27.608 8.128 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.991 26.303 8.298 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.624 28.259 5.172 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.141 24.574 7.231 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.366 27.200 3.090 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.928 23.526 5.164 1.00 0.00 H new ATOM 0 HH TYR A 9 4.595 23.867 2.700 1.00 0.00 H new ATOM 175 N ARG A 10 0.654 28.464 5.611 1.00 0.00 N ATOM 176 CA ARG A 10 -0.419 28.121 4.685 1.00 0.00 C ATOM 177 C ARG A 10 0.142 27.958 3.278 1.00 0.00 C ATOM 178 O ARG A 10 -0.534 28.235 2.290 1.00 0.00 O ATOM 179 CB ARG A 10 -1.502 29.210 4.695 1.00 0.00 C ATOM 180 CG ARG A 10 -1.672 29.908 6.040 1.00 0.00 C ATOM 181 CD ARG A 10 -2.410 29.065 7.075 1.00 0.00 C ATOM 182 NE ARG A 10 -1.761 27.786 7.321 1.00 0.00 N ATOM 183 CZ ARG A 10 -2.105 26.952 8.292 1.00 0.00 C ATOM 184 NH1 ARG A 10 -3.181 27.184 9.027 1.00 0.00 N ATOM 185 NH2 ARG A 10 -1.376 25.872 8.512 1.00 0.00 N ATOM 0 H ARG A 10 0.991 29.423 5.530 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.868 27.180 5.002 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.258 29.956 3.939 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.454 28.763 4.407 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.689 30.170 6.431 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.215 30.841 5.890 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.476 29.621 8.010 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -3.431 28.891 6.735 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.993 27.514 6.707 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.753 28.010 8.848 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.439 26.537 9.772 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.555 25.685 7.936 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.634 25.225 9.257 1.00 0.00 H new ATOM 199 N GLY A 11 1.380 27.491 3.206 1.00 0.00 N ATOM 200 CA GLY A 11 2.070 27.389 1.934 1.00 0.00 C ATOM 201 C GLY A 11 1.736 26.112 1.194 1.00 0.00 C ATOM 202 O GLY A 11 0.681 25.514 1.422 1.00 0.00 O ATOM 0 H GLY A 11 1.923 27.179 4.011 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.807 28.245 1.312 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.146 27.436 2.103 1.00 0.00 H new ATOM 206 N LYS A 12 2.640 25.671 0.329 1.00 0.00 N ATOM 207 CA LYS A 12 2.370 24.537 -0.536 1.00 0.00 C ATOM 208 C LYS A 12 3.658 23.800 -0.857 1.00 0.00 C ATOM 209 O LYS A 12 3.766 23.131 -1.885 1.00 0.00 O ATOM 210 CB LYS A 12 1.659 24.978 -1.831 1.00 0.00 C ATOM 211 CG LYS A 12 2.341 26.109 -2.594 1.00 0.00 C ATOM 212 CD LYS A 12 1.911 27.486 -2.098 1.00 0.00 C ATOM 213 CE LYS A 12 0.428 27.742 -2.331 1.00 0.00 C ATOM 214 NZ LYS A 12 0.052 27.606 -3.763 1.00 0.00 N ATOM 0 H LYS A 12 3.565 26.083 0.210 1.00 0.00 H new ATOM 0 HA LYS A 12 1.702 23.859 -0.005 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.574 24.115 -2.492 1.00 0.00 H new ATOM 0 HB3 LYS A 12 0.645 25.290 -1.582 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.422 26.011 -2.494 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.109 26.019 -3.655 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.130 27.572 -1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 12 2.495 28.253 -2.607 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.158 27.042 -1.735 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.175 28.744 -1.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -0.900 27.998 -3.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.735 28.124 -4.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.058 26.601 -4.029 1.00 0.00 H new ATOM 228 N ARG A 13 4.643 23.933 0.020 1.00 0.00 N ATOM 229 CA ARG A 13 5.836 23.123 -0.079 1.00 0.00 C ATOM 230 C ARG A 13 5.463 21.709 0.327 1.00 0.00 C ATOM 231 O ARG A 13 4.721 21.517 1.289 1.00 0.00 O ATOM 232 CB ARG A 13 6.941 23.662 0.826 1.00 0.00 C ATOM 233 CG ARG A 13 7.370 25.090 0.524 1.00 0.00 C ATOM 234 CD ARG A 13 8.238 25.174 -0.723 1.00 0.00 C ATOM 235 NE ARG A 13 8.657 26.549 -1.005 1.00 0.00 N ATOM 236 CZ ARG A 13 9.728 26.873 -1.729 1.00 0.00 C ATOM 237 NH1 ARG A 13 10.509 25.923 -2.234 1.00 0.00 N ATOM 238 NH2 ARG A 13 10.010 28.150 -1.958 1.00 0.00 N ATOM 0 H ARG A 13 4.635 24.590 0.800 1.00 0.00 H new ATOM 0 HA ARG A 13 6.218 23.143 -1.100 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.602 23.610 1.861 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.811 23.010 0.742 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.486 25.714 0.393 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.919 25.491 1.376 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.119 24.545 -0.595 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.686 24.780 -1.577 1.00 0.00 H new ATOM 0 HE ARG A 13 8.093 27.308 -0.622 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.290 24.941 -2.068 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.327 26.176 -2.787 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.407 28.881 -1.580 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.829 28.400 -2.512 1.00 0.00 H new ATOM 252 N VAL A 14 5.963 20.732 -0.402 1.00 0.00 N ATOM 253 CA VAL A 14 5.503 19.353 -0.256 1.00 0.00 C ATOM 254 C VAL A 14 6.672 18.378 -0.299 1.00 0.00 C ATOM 255 O VAL A 14 6.579 17.284 -0.856 1.00 0.00 O ATOM 256 CB VAL A 14 4.485 19.000 -1.362 1.00 0.00 C ATOM 257 CG1 VAL A 14 3.132 19.620 -1.060 1.00 0.00 C ATOM 258 CG2 VAL A 14 4.985 19.483 -2.715 1.00 0.00 C ATOM 0 H VAL A 14 6.690 20.861 -1.105 1.00 0.00 H new ATOM 0 HA VAL A 14 5.016 19.267 0.715 1.00 0.00 H new ATOM 0 HB VAL A 14 4.375 17.916 -1.391 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.428 19.360 -1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.763 19.242 -0.107 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.232 20.704 -1.006 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.257 19.227 -3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.120 20.564 -2.688 1.00 0.00 H new ATOM 0 HG23 VAL A 14 5.937 19.004 -2.943 1.00 0.00 H new ATOM 268 N THR A 15 7.766 18.789 0.302 1.00 0.00 N ATOM 269 CA THR A 15 8.990 18.034 0.300 1.00 0.00 C ATOM 270 C THR A 15 9.759 18.329 1.571 1.00 0.00 C ATOM 271 O THR A 15 9.740 19.458 2.071 1.00 0.00 O ATOM 272 CB THR A 15 9.845 18.406 -0.912 1.00 0.00 C ATOM 273 OG1 THR A 15 9.306 19.566 -1.564 1.00 0.00 O ATOM 274 CG2 THR A 15 9.910 17.258 -1.885 1.00 0.00 C ATOM 0 H THR A 15 7.827 19.670 0.812 1.00 0.00 H new ATOM 0 HA THR A 15 8.752 16.972 0.247 1.00 0.00 H new ATOM 0 HB THR A 15 10.854 18.629 -0.564 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.863 19.795 -2.337 1.00 0.00 H new ATOM 0 HG21 THR A 15 10.523 17.541 -2.741 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.351 16.390 -1.395 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.904 17.011 -2.224 1.00 0.00 H new ATOM 282 N THR A 16 10.421 17.319 2.090 1.00 0.00 N ATOM 283 CA THR A 16 11.151 17.444 3.327 1.00 0.00 C ATOM 284 C THR A 16 12.450 18.206 3.125 1.00 0.00 C ATOM 285 O THR A 16 12.750 18.664 2.022 1.00 0.00 O ATOM 286 CB THR A 16 11.470 16.057 3.890 1.00 0.00 C ATOM 287 OG1 THR A 16 12.155 15.297 2.891 1.00 0.00 O ATOM 288 CG2 THR A 16 10.204 15.331 4.293 1.00 0.00 C ATOM 0 H THR A 16 10.467 16.392 1.667 1.00 0.00 H new ATOM 0 HA THR A 16 10.525 17.997 4.027 1.00 0.00 H new ATOM 0 HB THR A 16 12.096 16.173 4.775 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.012 14.985 3.248 1.00 0.00 H new ATOM 0 HG21 THR A 16 10.459 14.348 4.690 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.682 15.907 5.057 1.00 0.00 H new ATOM 0 HG23 THR A 16 9.558 15.215 3.422 1.00 0.00 H new ATOM 296 N VAL A 17 13.237 18.310 4.182 1.00 0.00 N ATOM 297 CA VAL A 17 14.539 18.946 4.099 1.00 0.00 C ATOM 298 C VAL A 17 15.474 18.148 3.206 1.00 0.00 C ATOM 299 O VAL A 17 16.500 18.645 2.752 1.00 0.00 O ATOM 300 CB VAL A 17 15.195 19.107 5.477 1.00 0.00 C ATOM 301 CG1 VAL A 17 14.505 20.203 6.278 1.00 0.00 C ATOM 302 CG2 VAL A 17 15.186 17.789 6.243 1.00 0.00 C ATOM 0 H VAL A 17 12.996 17.961 5.110 1.00 0.00 H new ATOM 0 HA VAL A 17 14.371 19.936 3.675 1.00 0.00 H new ATOM 0 HB VAL A 17 16.234 19.400 5.324 1.00 0.00 H new ATOM 0 HG11 VAL A 17 14.986 20.300 7.251 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.580 21.148 5.740 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.455 19.946 6.416 1.00 0.00 H new ATOM 0 HG21 VAL A 17 15.657 17.930 7.216 1.00 0.00 H new ATOM 0 HG22 VAL A 17 14.157 17.456 6.382 1.00 0.00 H new ATOM 0 HG23 VAL A 17 15.738 17.037 5.679 1.00 0.00 H new ATOM 312 N THR A 18 15.092 16.914 2.949 1.00 0.00 N ATOM 313 CA THR A 18 15.875 16.024 2.119 1.00 0.00 C ATOM 314 C THR A 18 15.388 16.117 0.690 1.00 0.00 C ATOM 315 O THR A 18 16.071 15.703 -0.247 1.00 0.00 O ATOM 316 CB THR A 18 15.727 14.571 2.593 1.00 0.00 C ATOM 317 OG1 THR A 18 14.377 14.141 2.384 1.00 0.00 O ATOM 318 CG2 THR A 18 16.064 14.452 4.067 1.00 0.00 C ATOM 0 H THR A 18 14.232 16.501 3.309 1.00 0.00 H new ATOM 0 HA THR A 18 16.922 16.318 2.187 1.00 0.00 H new ATOM 0 HB THR A 18 16.414 13.946 2.023 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.154 13.439 3.030 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.953 13.415 4.383 1.00 0.00 H new ATOM 0 HG22 THR A 18 17.092 14.774 4.232 1.00 0.00 H new ATOM 0 HG23 THR A 18 15.389 15.082 4.647 1.00 0.00 H new ATOM 326 N GLY A 19 14.205 16.692 0.529 1.00 0.00 N ATOM 327 CA GLY A 19 13.573 16.709 -0.760 1.00 0.00 C ATOM 328 C GLY A 19 12.698 15.496 -0.956 1.00 0.00 C ATOM 329 O GLY A 19 12.257 15.221 -2.068 1.00 0.00 O ATOM 0 H GLY A 19 13.676 17.146 1.274 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.973 17.613 -0.862 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.334 16.742 -1.540 1.00 0.00 H new ATOM 333 N THR A 20 12.466 14.742 0.117 1.00 0.00 N ATOM 334 CA THR A 20 11.536 13.634 0.052 1.00 0.00 C ATOM 335 C THR A 20 10.105 14.155 0.108 1.00 0.00 C ATOM 336 O THR A 20 9.732 14.842 1.056 1.00 0.00 O ATOM 337 CB THR A 20 11.775 12.630 1.192 1.00 0.00 C ATOM 338 OG1 THR A 20 13.119 12.129 1.125 1.00 0.00 O ATOM 339 CG2 THR A 20 10.793 11.475 1.105 1.00 0.00 C ATOM 0 H THR A 20 12.906 14.881 1.027 1.00 0.00 H new ATOM 0 HA THR A 20 11.698 13.113 -0.892 1.00 0.00 H new ATOM 0 HB THR A 20 11.625 13.143 2.142 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.749 12.859 1.297 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.980 10.777 1.921 1.00 0.00 H new ATOM 0 HG22 THR A 20 9.775 11.857 1.180 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.919 10.962 0.152 1.00 0.00 H new ATOM 347 N PRO A 21 9.299 13.871 -0.925 1.00 0.00 N ATOM 348 CA PRO A 21 7.898 14.297 -0.983 1.00 0.00 C ATOM 349 C PRO A 21 7.109 13.931 0.260 1.00 0.00 C ATOM 350 O PRO A 21 7.048 12.759 0.656 1.00 0.00 O ATOM 351 CB PRO A 21 7.353 13.518 -2.163 1.00 0.00 C ATOM 352 CG PRO A 21 8.523 13.349 -3.057 1.00 0.00 C ATOM 353 CD PRO A 21 9.692 13.128 -2.138 1.00 0.00 C ATOM 0 HA PRO A 21 7.819 15.381 -1.066 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.947 12.556 -1.852 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.547 14.059 -2.659 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.385 12.503 -3.730 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.673 14.231 -3.680 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.849 12.069 -1.931 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.619 13.511 -2.564 1.00 0.00 H new ATOM 361 N CYS A 22 6.518 14.935 0.874 1.00 0.00 N ATOM 362 CA CYS A 22 5.628 14.713 2.001 1.00 0.00 C ATOM 363 C CYS A 22 4.416 13.892 1.581 1.00 0.00 C ATOM 364 O CYS A 22 3.884 14.050 0.481 1.00 0.00 O ATOM 365 CB CYS A 22 5.171 16.042 2.589 1.00 0.00 C ATOM 366 SG CYS A 22 6.547 17.108 3.102 1.00 0.00 S ATOM 0 H CYS A 22 6.636 15.914 0.614 1.00 0.00 H new ATOM 0 HA CYS A 22 6.179 14.158 2.760 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.567 16.570 1.851 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.529 15.850 3.448 1.00 0.00 H new ATOM 371 N GLN A 23 4.022 13.000 2.466 1.00 0.00 N ATOM 372 CA GLN A 23 2.823 12.206 2.313 1.00 0.00 C ATOM 373 C GLN A 23 1.624 13.075 2.548 1.00 0.00 C ATOM 374 O GLN A 23 1.731 14.153 3.135 1.00 0.00 O ATOM 375 CB GLN A 23 2.808 11.107 3.358 1.00 0.00 C ATOM 376 CG GLN A 23 1.770 10.018 3.147 1.00 0.00 C ATOM 377 CD GLN A 23 1.890 8.975 4.222 1.00 0.00 C ATOM 378 OE1 GLN A 23 2.652 8.044 4.079 1.00 0.00 O ATOM 379 NE2 GLN A 23 1.088 9.091 5.268 1.00 0.00 N ATOM 0 H GLN A 23 4.535 12.804 3.326 1.00 0.00 H new ATOM 0 HA GLN A 23 2.802 11.780 1.310 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.794 10.644 3.387 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.640 11.561 4.335 1.00 0.00 H new ATOM 0 HG2 GLN A 23 0.770 10.451 3.160 1.00 0.00 H new ATOM 0 HG3 GLN A 23 1.907 9.559 2.168 1.00 0.00 H new ATOM 0 HE21 GLN A 23 0.463 9.893 5.345 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.095 8.378 5.997 1.00 0.00 H new ATOM 388 N ASP A 24 0.482 12.580 2.149 1.00 0.00 N ATOM 389 CA ASP A 24 -0.740 13.281 2.385 1.00 0.00 C ATOM 390 C ASP A 24 -1.084 13.048 3.828 1.00 0.00 C ATOM 391 O ASP A 24 -1.116 11.902 4.285 1.00 0.00 O ATOM 392 CB ASP A 24 -1.848 12.784 1.450 1.00 0.00 C ATOM 393 CG ASP A 24 -1.581 13.139 -0.001 1.00 0.00 C ATOM 394 OD1 ASP A 24 -0.852 12.384 -0.684 1.00 0.00 O ATOM 395 OD2 ASP A 24 -2.093 14.180 -0.467 1.00 0.00 O ATOM 0 H ASP A 24 0.379 11.692 1.658 1.00 0.00 H new ATOM 0 HA ASP A 24 -0.634 14.346 2.181 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.942 11.702 1.545 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.800 13.216 1.758 1.00 0.00 H new ATOM 400 N TRP A 25 -1.262 14.127 4.564 1.00 0.00 N ATOM 401 CA TRP A 25 -1.641 14.042 5.964 1.00 0.00 C ATOM 402 C TRP A 25 -2.894 13.200 6.086 1.00 0.00 C ATOM 403 O TRP A 25 -3.104 12.500 7.076 1.00 0.00 O ATOM 404 CB TRP A 25 -1.892 15.436 6.530 1.00 0.00 C ATOM 405 CG TRP A 25 -0.781 16.393 6.253 1.00 0.00 C ATOM 406 CD1 TRP A 25 -0.642 17.176 5.152 1.00 0.00 C ATOM 407 CD2 TRP A 25 0.346 16.675 7.086 1.00 0.00 C ATOM 408 NE1 TRP A 25 0.498 17.915 5.250 1.00 0.00 N ATOM 409 CE2 TRP A 25 1.119 17.636 6.428 1.00 0.00 C ATOM 410 CE3 TRP A 25 0.771 16.209 8.323 1.00 0.00 C ATOM 411 CZ2 TRP A 25 2.296 18.145 6.967 1.00 0.00 C ATOM 412 CZ3 TRP A 25 1.939 16.714 8.864 1.00 0.00 C ATOM 413 CH2 TRP A 25 2.688 17.674 8.187 1.00 0.00 C ATOM 0 H TRP A 25 -1.150 15.079 4.215 1.00 0.00 H new ATOM 0 HA TRP A 25 -0.832 13.581 6.531 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -2.816 15.831 6.108 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -2.039 15.362 7.608 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -1.333 17.208 4.322 1.00 0.00 H new ATOM 0 HE1 TRP A 25 0.834 18.575 4.549 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.198 15.464 8.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 2.879 18.886 6.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.276 16.359 9.827 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.595 18.052 8.635 1.00 0.00 H new ATOM 424 N ALA A 26 -3.708 13.279 5.046 1.00 0.00 N ATOM 425 CA ALA A 26 -4.943 12.524 4.956 1.00 0.00 C ATOM 426 C ALA A 26 -4.717 11.059 4.566 1.00 0.00 C ATOM 427 O ALA A 26 -5.651 10.261 4.617 1.00 0.00 O ATOM 428 CB ALA A 26 -5.892 13.194 3.972 1.00 0.00 C ATOM 0 H ALA A 26 -3.528 13.873 4.237 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.389 12.518 5.951 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.817 12.620 3.911 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.114 14.205 4.312 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.425 13.236 2.988 1.00 0.00 H new ATOM 434 N ALA A 27 -3.496 10.679 4.173 1.00 0.00 N ATOM 435 CA ALA A 27 -3.258 9.327 3.758 1.00 0.00 C ATOM 436 C ALA A 27 -2.417 8.653 4.802 1.00 0.00 C ATOM 437 O ALA A 27 -1.595 9.284 5.426 1.00 0.00 O ATOM 438 CB ALA A 27 -2.566 9.288 2.407 1.00 0.00 C ATOM 0 H ALA A 27 -2.681 11.291 4.140 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.208 8.804 3.651 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.397 8.252 2.115 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.194 9.777 1.662 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.610 9.807 2.473 1.00 0.00 H new ATOM 444 N GLN A 28 -2.626 7.381 4.976 1.00 0.00 N ATOM 445 CA GLN A 28 -1.891 6.582 5.916 1.00 0.00 C ATOM 446 C GLN A 28 -0.893 5.821 5.098 1.00 0.00 C ATOM 447 O GLN A 28 -0.541 4.682 5.394 1.00 0.00 O ATOM 448 CB GLN A 28 -2.833 5.591 6.599 1.00 0.00 C ATOM 449 CG GLN A 28 -3.984 6.239 7.330 1.00 0.00 C ATOM 450 CD GLN A 28 -3.485 7.130 8.426 1.00 0.00 C ATOM 451 OE1 GLN A 28 -3.245 6.672 9.532 1.00 0.00 O ATOM 452 NE2 GLN A 28 -3.314 8.405 8.125 1.00 0.00 N ATOM 0 H GLN A 28 -3.329 6.856 4.456 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.420 7.194 6.685 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.231 4.908 5.848 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.261 4.989 7.305 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.585 6.819 6.630 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.634 5.470 7.748 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.529 8.741 7.186 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -2.967 9.054 8.832 1.00 0.00 H new ATOM 461 N GLU A 29 -0.468 6.461 4.033 1.00 0.00 N ATOM 462 CA GLU A 29 0.049 5.728 2.924 1.00 0.00 C ATOM 463 C GLU A 29 1.164 6.440 2.184 1.00 0.00 C ATOM 464 O GLU A 29 0.973 7.535 1.657 1.00 0.00 O ATOM 465 CB GLU A 29 -1.120 5.437 2.002 1.00 0.00 C ATOM 466 CG GLU A 29 -2.056 4.368 2.541 1.00 0.00 C ATOM 467 CD GLU A 29 -3.189 4.046 1.596 1.00 0.00 C ATOM 468 OE1 GLU A 29 -3.007 3.190 0.708 1.00 0.00 O ATOM 469 OE2 GLU A 29 -4.273 4.646 1.744 1.00 0.00 O ATOM 0 H GLU A 29 -0.473 7.475 3.921 1.00 0.00 H new ATOM 0 HA GLU A 29 0.509 4.811 3.293 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.684 6.356 1.839 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.739 5.121 1.031 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.486 3.460 2.739 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.468 4.700 3.494 1.00 0.00 H new ATOM 476 N PRO A 30 2.337 5.791 2.092 1.00 0.00 N ATOM 477 CA PRO A 30 2.561 4.441 2.618 1.00 0.00 C ATOM 478 C PRO A 30 2.973 4.425 4.094 1.00 0.00 C ATOM 479 O PRO A 30 3.651 3.505 4.547 1.00 0.00 O ATOM 480 CB PRO A 30 3.708 3.904 1.743 1.00 0.00 C ATOM 481 CG PRO A 30 4.161 5.048 0.883 1.00 0.00 C ATOM 482 CD PRO A 30 3.536 6.300 1.436 1.00 0.00 C ATOM 0 HA PRO A 30 1.649 3.846 2.580 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.527 3.535 2.361 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.370 3.068 1.130 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.248 5.126 0.889 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.859 4.893 -0.153 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.198 6.808 2.137 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.296 7.015 0.649 1.00 0.00 H new ATOM 490 N HIS A 31 2.567 5.444 4.838 1.00 0.00 N ATOM 491 CA HIS A 31 2.897 5.548 6.250 1.00 0.00 C ATOM 492 C HIS A 31 1.626 5.741 7.045 1.00 0.00 C ATOM 493 O HIS A 31 0.965 6.786 6.950 1.00 0.00 O ATOM 494 CB HIS A 31 3.884 6.699 6.508 1.00 0.00 C ATOM 495 CG HIS A 31 5.215 6.470 5.868 1.00 0.00 C ATOM 496 ND1 HIS A 31 5.402 6.524 4.510 1.00 0.00 N ATOM 497 CD2 HIS A 31 6.413 6.138 6.399 1.00 0.00 C ATOM 498 CE1 HIS A 31 6.653 6.228 4.229 1.00 0.00 C ATOM 499 NE2 HIS A 31 7.291 5.992 5.356 1.00 0.00 N ATOM 0 H HIS A 31 2.004 6.216 4.482 1.00 0.00 H new ATOM 0 HA HIS A 31 3.385 4.627 6.568 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.459 7.629 6.130 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.018 6.823 7.583 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.637 6.011 7.448 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.084 6.186 3.240 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.276 5.742 5.440 1.00 0.00 H new ATOM 508 N ARG A 32 1.263 4.710 7.791 1.00 0.00 N ATOM 509 CA ARG A 32 0.046 4.729 8.576 1.00 0.00 C ATOM 510 C ARG A 32 0.240 5.651 9.764 1.00 0.00 C ATOM 511 O ARG A 32 1.059 5.376 10.643 1.00 0.00 O ATOM 512 CB ARG A 32 -0.297 3.321 9.075 1.00 0.00 C ATOM 513 CG ARG A 32 -1.680 2.837 8.673 1.00 0.00 C ATOM 514 CD ARG A 32 -1.732 2.469 7.200 1.00 0.00 C ATOM 515 NE ARG A 32 -3.088 2.146 6.763 1.00 0.00 N ATOM 516 CZ ARG A 32 -3.389 1.673 5.557 1.00 0.00 C ATOM 517 NH1 ARG A 32 -2.431 1.458 4.663 1.00 0.00 N ATOM 518 NH2 ARG A 32 -4.653 1.420 5.250 1.00 0.00 N ATOM 0 H ARG A 32 1.800 3.846 7.867 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.773 5.085 7.952 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.446 2.621 8.692 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.220 3.304 10.162 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.954 1.971 9.276 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.414 3.615 8.881 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.348 3.298 6.606 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.079 1.616 7.016 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.851 2.292 7.424 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -1.459 1.656 4.900 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.667 1.095 3.740 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.388 1.588 5.937 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.891 1.057 4.327 1.00 0.00 H new ATOM 532 N HIS A 33 -0.491 6.749 9.782 1.00 0.00 N ATOM 533 CA HIS A 33 -0.343 7.724 10.854 1.00 0.00 C ATOM 534 C HIS A 33 -1.695 8.331 11.199 1.00 0.00 C ATOM 535 O HIS A 33 -2.143 9.305 10.597 1.00 0.00 O ATOM 536 CB HIS A 33 0.664 8.824 10.471 1.00 0.00 C ATOM 537 CG HIS A 33 0.206 9.667 9.329 1.00 0.00 C ATOM 538 ND1 HIS A 33 -0.037 11.006 9.431 1.00 0.00 N ATOM 539 CD2 HIS A 33 -0.126 9.328 8.087 1.00 0.00 C ATOM 540 CE1 HIS A 33 -0.505 11.464 8.297 1.00 0.00 C ATOM 541 NE2 HIS A 33 -0.562 10.468 7.457 1.00 0.00 N ATOM 0 H HIS A 33 -1.187 6.990 9.076 1.00 0.00 H new ATOM 0 HA HIS A 33 0.047 7.209 11.732 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.842 9.462 11.337 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.617 8.362 10.214 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.064 8.340 7.654 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.793 12.485 8.094 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.879 10.526 6.489 1.00 0.00 H new ATOM 550 N SER A 34 -2.367 7.722 12.136 1.00 0.00 N ATOM 551 CA SER A 34 -3.626 8.254 12.640 1.00 0.00 C ATOM 552 C SER A 34 -3.361 9.446 13.564 1.00 0.00 C ATOM 553 O SER A 34 -4.065 9.665 14.549 1.00 0.00 O ATOM 554 CB SER A 34 -4.395 7.160 13.377 1.00 0.00 C ATOM 555 OG SER A 34 -4.493 5.990 12.576 1.00 0.00 O ATOM 0 H SER A 34 -2.071 6.851 12.576 1.00 0.00 H new ATOM 0 HA SER A 34 -4.231 8.598 11.801 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.893 6.924 14.315 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.393 7.518 13.631 1.00 0.00 H new ATOM 0 HG SER A 34 -4.987 5.299 13.065 1.00 0.00 H new ATOM 561 N ILE A 35 -2.330 10.206 13.220 1.00 0.00 N ATOM 562 CA ILE A 35 -1.861 11.315 13.988 1.00 0.00 C ATOM 563 C ILE A 35 -1.409 12.360 13.006 1.00 0.00 C ATOM 564 O ILE A 35 -0.847 12.022 11.954 1.00 0.00 O ATOM 565 CB ILE A 35 -0.694 10.933 14.926 1.00 0.00 C ATOM 566 CG1 ILE A 35 0.396 10.194 14.142 1.00 0.00 C ATOM 567 CG2 ILE A 35 -1.198 10.088 16.088 1.00 0.00 C ATOM 568 CD1 ILE A 35 1.600 9.811 14.977 1.00 0.00 C ATOM 0 H ILE A 35 -1.790 10.049 12.369 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.663 11.677 14.631 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.261 11.845 15.336 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.033 9.292 13.705 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.725 10.823 13.315 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.363 9.828 16.738 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.937 10.653 16.655 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.656 9.176 15.703 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.326 9.292 14.351 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.055 10.710 15.393 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.286 9.155 15.789 1.00 0.00 H new ATOM 580 N PHE A 36 -1.664 13.601 13.327 1.00 0.00 N ATOM 581 CA PHE A 36 -1.356 14.692 12.454 1.00 0.00 C ATOM 582 C PHE A 36 -2.034 14.518 11.104 1.00 0.00 C ATOM 583 O PHE A 36 -1.421 14.669 10.046 1.00 0.00 O ATOM 584 CB PHE A 36 0.153 14.867 12.331 1.00 0.00 C ATOM 585 CG PHE A 36 0.850 14.859 13.666 1.00 0.00 C ATOM 586 CD1 PHE A 36 0.804 15.966 14.494 1.00 0.00 C ATOM 587 CD2 PHE A 36 1.550 13.741 14.092 1.00 0.00 C ATOM 588 CE1 PHE A 36 1.442 15.960 15.719 1.00 0.00 C ATOM 589 CE2 PHE A 36 2.189 13.729 15.316 1.00 0.00 C ATOM 590 CZ PHE A 36 2.135 14.841 16.131 1.00 0.00 C ATOM 0 H PHE A 36 -2.094 13.880 14.209 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.753 15.611 12.886 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.558 14.068 11.710 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.365 15.806 11.821 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.263 16.846 14.179 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.596 12.868 13.458 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.398 16.832 16.355 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.730 12.851 15.635 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.634 14.835 17.089 1.00 0.00 H new ATOM 600 N THR A 37 -3.300 14.151 11.170 1.00 0.00 N ATOM 601 CA THR A 37 -4.169 14.163 10.012 1.00 0.00 C ATOM 602 C THR A 37 -5.089 15.373 10.107 1.00 0.00 C ATOM 603 O THR A 37 -5.088 16.067 11.126 1.00 0.00 O ATOM 604 CB THR A 37 -5.040 12.889 9.922 1.00 0.00 C ATOM 605 OG1 THR A 37 -6.075 12.909 10.924 1.00 0.00 O ATOM 606 CG2 THR A 37 -4.193 11.639 10.088 1.00 0.00 C ATOM 0 H THR A 37 -3.753 13.837 12.028 1.00 0.00 H new ATOM 0 HA THR A 37 -3.541 14.205 9.122 1.00 0.00 H new ATOM 0 HB THR A 37 -5.501 12.872 8.934 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.668 12.902 11.815 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.829 10.757 10.021 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.439 11.603 9.302 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.702 11.659 11.061 1.00 0.00 H new ATOM 614 N PRO A 38 -5.887 15.654 9.074 1.00 0.00 N ATOM 615 CA PRO A 38 -6.931 16.675 9.162 1.00 0.00 C ATOM 616 C PRO A 38 -7.945 16.364 10.264 1.00 0.00 C ATOM 617 O PRO A 38 -8.619 17.263 10.772 1.00 0.00 O ATOM 618 CB PRO A 38 -7.610 16.618 7.795 1.00 0.00 C ATOM 619 CG PRO A 38 -6.605 16.000 6.886 1.00 0.00 C ATOM 620 CD PRO A 38 -5.815 15.046 7.735 1.00 0.00 C ATOM 0 HA PRO A 38 -6.520 17.654 9.407 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.524 16.025 7.833 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -7.891 17.614 7.453 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.092 15.478 6.062 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.958 16.759 6.445 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.245 14.045 7.723 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.786 14.955 7.388 1.00 0.00 H new ATOM 628 N GLU A 39 -8.036 15.088 10.643 1.00 0.00 N ATOM 629 CA GLU A 39 -9.008 14.653 11.643 1.00 0.00 C ATOM 630 C GLU A 39 -8.442 14.811 13.045 1.00 0.00 C ATOM 631 O GLU A 39 -9.151 15.198 13.974 1.00 0.00 O ATOM 632 CB GLU A 39 -9.410 13.185 11.434 1.00 0.00 C ATOM 633 CG GLU A 39 -10.091 12.889 10.106 1.00 0.00 C ATOM 634 CD GLU A 39 -9.153 12.998 8.923 1.00 0.00 C ATOM 635 OE1 GLU A 39 -8.094 12.338 8.941 1.00 0.00 O ATOM 636 OE2 GLU A 39 -9.467 13.754 7.981 1.00 0.00 O ATOM 0 H GLU A 39 -7.449 14.341 10.273 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.890 15.283 11.527 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.518 12.564 11.514 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.078 12.888 12.242 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.513 11.885 10.136 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.922 13.580 9.968 1.00 0.00 H new ATOM 643 N THR A 40 -7.165 14.505 13.197 1.00 0.00 N ATOM 644 CA THR A 40 -6.534 14.538 14.503 1.00 0.00 C ATOM 645 C THR A 40 -5.937 15.905 14.799 1.00 0.00 C ATOM 646 O THR A 40 -5.707 16.254 15.958 1.00 0.00 O ATOM 647 CB THR A 40 -5.455 13.450 14.621 1.00 0.00 C ATOM 648 OG1 THR A 40 -4.760 13.313 13.374 1.00 0.00 O ATOM 649 CG2 THR A 40 -6.074 12.119 15.011 1.00 0.00 C ATOM 0 H THR A 40 -6.547 14.232 12.433 1.00 0.00 H new ATOM 0 HA THR A 40 -7.310 14.340 15.243 1.00 0.00 H new ATOM 0 HB THR A 40 -4.751 13.747 15.398 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.314 12.441 13.342 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.292 11.363 15.089 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.578 12.220 15.972 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.796 11.817 14.252 1.00 0.00 H new ATOM 657 N ASN A 41 -5.699 16.690 13.756 1.00 0.00 N ATOM 658 CA ASN A 41 -5.156 18.027 13.928 1.00 0.00 C ATOM 659 C ASN A 41 -5.887 19.041 13.058 1.00 0.00 C ATOM 660 O ASN A 41 -5.300 19.649 12.170 1.00 0.00 O ATOM 661 CB ASN A 41 -3.662 18.043 13.609 1.00 0.00 C ATOM 662 CG ASN A 41 -2.849 17.329 14.661 1.00 0.00 C ATOM 663 OD1 ASN A 41 -2.666 16.117 14.616 1.00 0.00 O ATOM 664 ND2 ASN A 41 -2.356 18.082 15.620 1.00 0.00 N ATOM 0 H ASN A 41 -5.873 16.424 12.787 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.300 18.310 14.971 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.494 17.573 12.640 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.321 19.075 13.526 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -1.798 17.661 16.363 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.532 19.087 15.621 1.00 0.00 H new ATOM 671 N PRO A 42 -7.177 19.272 13.327 1.00 0.00 N ATOM 672 CA PRO A 42 -7.967 20.248 12.584 1.00 0.00 C ATOM 673 C PRO A 42 -7.694 21.669 13.068 1.00 0.00 C ATOM 674 O PRO A 42 -8.578 22.527 13.069 1.00 0.00 O ATOM 675 CB PRO A 42 -9.404 19.836 12.890 1.00 0.00 C ATOM 676 CG PRO A 42 -9.347 19.189 14.232 1.00 0.00 C ATOM 677 CD PRO A 42 -7.963 18.613 14.384 1.00 0.00 C ATOM 0 HA PRO A 42 -7.737 20.256 11.518 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.068 20.700 12.897 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.785 19.147 12.136 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -9.551 19.915 15.019 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.102 18.407 14.316 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.552 18.819 15.372 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.967 17.530 14.260 1.00 0.00 H new ATOM 685 N ARG A 43 -6.461 21.903 13.495 1.00 0.00 N ATOM 686 CA ARG A 43 -6.067 23.183 14.049 1.00 0.00 C ATOM 687 C ARG A 43 -4.938 23.814 13.244 1.00 0.00 C ATOM 688 O ARG A 43 -4.679 25.009 13.364 1.00 0.00 O ATOM 689 CB ARG A 43 -5.599 22.973 15.482 1.00 0.00 C ATOM 690 CG ARG A 43 -4.307 22.174 15.574 1.00 0.00 C ATOM 691 CD ARG A 43 -4.108 21.598 16.963 1.00 0.00 C ATOM 692 NE ARG A 43 -2.728 21.159 17.194 1.00 0.00 N ATOM 693 CZ ARG A 43 -2.308 20.585 18.325 1.00 0.00 C ATOM 694 NH1 ARG A 43 -3.160 20.343 19.312 1.00 0.00 N ATOM 695 NH2 ARG A 43 -1.034 20.241 18.465 1.00 0.00 N ATOM 0 H ARG A 43 -5.711 21.212 13.466 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.925 23.854 14.015 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.454 23.943 15.957 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.379 22.457 16.041 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.325 21.366 14.843 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.463 22.815 15.320 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.377 22.348 17.706 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.783 20.754 17.103 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.048 21.300 16.447 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.143 20.595 19.211 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.832 19.904 20.173 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.373 20.415 17.708 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.716 19.803 19.330 1.00 0.00 H new ATOM 709 N ALA A 44 -4.261 23.012 12.430 1.00 0.00 N ATOM 710 CA ALA A 44 -3.063 23.479 11.750 1.00 0.00 C ATOM 711 C ALA A 44 -3.224 23.451 10.242 1.00 0.00 C ATOM 712 O ALA A 44 -2.253 23.593 9.503 1.00 0.00 O ATOM 713 CB ALA A 44 -1.852 22.667 12.181 1.00 0.00 C ATOM 0 H ALA A 44 -4.519 22.046 12.228 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.905 24.518 12.039 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.966 23.031 11.661 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.710 22.769 13.257 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.011 21.617 11.934 1.00 0.00 H new ATOM 719 N GLY A 45 -4.455 23.247 9.799 1.00 0.00 N ATOM 720 CA GLY A 45 -4.782 23.370 8.387 1.00 0.00 C ATOM 721 C GLY A 45 -4.076 22.353 7.518 1.00 0.00 C ATOM 722 O GLY A 45 -3.549 22.689 6.459 1.00 0.00 O ATOM 0 H GLY A 45 -5.243 22.996 10.396 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.859 23.261 8.260 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.521 24.372 8.047 1.00 0.00 H new ATOM 726 N LEU A 46 -4.069 21.111 7.965 1.00 0.00 N ATOM 727 CA LEU A 46 -3.388 20.041 7.253 1.00 0.00 C ATOM 728 C LEU A 46 -4.202 19.566 6.056 1.00 0.00 C ATOM 729 O LEU A 46 -5.048 18.683 6.175 1.00 0.00 O ATOM 730 CB LEU A 46 -3.103 18.865 8.194 1.00 0.00 C ATOM 731 CG LEU A 46 -2.186 19.184 9.382 1.00 0.00 C ATOM 732 CD1 LEU A 46 -2.931 19.900 10.484 1.00 0.00 C ATOM 733 CD2 LEU A 46 -1.547 17.921 9.923 1.00 0.00 C ATOM 0 H LEU A 46 -4.531 20.815 8.825 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.442 20.439 6.885 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.052 18.491 8.579 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.653 18.058 7.615 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.403 19.848 9.017 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.249 20.109 11.308 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.335 20.837 10.101 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.747 19.271 10.839 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.901 18.172 10.765 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.325 17.233 10.255 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.955 17.448 9.139 1.00 0.00 H new ATOM 745 N GLU A 47 -3.957 20.173 4.907 1.00 0.00 N ATOM 746 CA GLU A 47 -4.584 19.759 3.679 1.00 0.00 C ATOM 747 C GLU A 47 -3.575 19.087 2.768 1.00 0.00 C ATOM 748 O GLU A 47 -2.412 19.499 2.709 1.00 0.00 O ATOM 749 CB GLU A 47 -5.196 20.957 2.965 1.00 0.00 C ATOM 750 CG GLU A 47 -4.335 22.206 3.005 1.00 0.00 C ATOM 751 CD GLU A 47 -4.977 23.371 2.286 1.00 0.00 C ATOM 752 OE1 GLU A 47 -5.764 24.101 2.919 1.00 0.00 O ATOM 753 OE2 GLU A 47 -4.699 23.561 1.085 1.00 0.00 O ATOM 0 H GLU A 47 -3.319 20.963 4.807 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.373 19.047 3.923 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.383 20.690 1.925 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.163 21.180 3.416 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.147 22.482 4.043 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.367 21.992 2.552 1.00 0.00 H new ATOM 760 N LYS A 48 -4.030 18.051 2.078 1.00 0.00 N ATOM 761 CA LYS A 48 -3.235 17.386 1.056 1.00 0.00 C ATOM 762 C LYS A 48 -1.928 16.857 1.641 1.00 0.00 C ATOM 763 O LYS A 48 -1.943 16.095 2.606 1.00 0.00 O ATOM 764 CB LYS A 48 -2.957 18.353 -0.095 1.00 0.00 C ATOM 765 CG LYS A 48 -4.216 18.970 -0.687 1.00 0.00 C ATOM 766 CD LYS A 48 -5.101 17.938 -1.360 1.00 0.00 C ATOM 767 CE LYS A 48 -6.461 18.525 -1.713 1.00 0.00 C ATOM 768 NZ LYS A 48 -6.344 19.808 -2.458 1.00 0.00 N ATOM 0 H LYS A 48 -4.958 17.649 2.210 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.799 16.535 0.675 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.304 19.150 0.260 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.417 17.825 -0.881 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.779 19.469 0.102 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.937 19.734 -1.412 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.614 17.572 -2.264 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.232 17.081 -0.699 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.019 17.807 -2.314 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.032 18.688 -0.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.267 20.058 -2.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.038 20.560 -1.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.645 19.704 -3.221 1.00 0.00 H new ATOM 782 N ASN A 49 -0.806 17.272 1.067 1.00 0.00 N ATOM 783 CA ASN A 49 0.493 16.894 1.592 1.00 0.00 C ATOM 784 C ASN A 49 1.386 18.116 1.753 1.00 0.00 C ATOM 785 O ASN A 49 2.601 17.991 1.885 1.00 0.00 O ATOM 786 CB ASN A 49 1.173 15.854 0.697 1.00 0.00 C ATOM 787 CG ASN A 49 1.585 16.380 -0.664 1.00 0.00 C ATOM 788 OD1 ASN A 49 0.910 17.229 -1.254 1.00 0.00 O ATOM 789 ND2 ASN A 49 2.705 15.880 -1.172 1.00 0.00 N ATOM 0 H ASN A 49 -0.773 17.869 0.240 1.00 0.00 H new ATOM 0 HA ASN A 49 0.335 16.446 2.573 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.056 15.472 1.209 1.00 0.00 H new ATOM 0 HB3 ASN A 49 0.495 15.011 0.559 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.037 16.196 -2.083 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.233 15.180 -0.651 1.00 0.00 H new ATOM 796 N TYR A 50 0.776 19.300 1.747 1.00 0.00 N ATOM 797 CA TYR A 50 1.537 20.534 1.953 1.00 0.00 C ATOM 798 C TYR A 50 2.076 20.544 3.367 1.00 0.00 C ATOM 799 O TYR A 50 1.323 20.299 4.304 1.00 0.00 O ATOM 800 CB TYR A 50 0.666 21.774 1.758 1.00 0.00 C ATOM 801 CG TYR A 50 -0.243 21.717 0.561 1.00 0.00 C ATOM 802 CD1 TYR A 50 0.261 21.666 -0.730 1.00 0.00 C ATOM 803 CD2 TYR A 50 -1.614 21.722 0.733 1.00 0.00 C ATOM 804 CE1 TYR A 50 -0.585 21.618 -1.820 1.00 0.00 C ATOM 805 CE2 TYR A 50 -2.467 21.673 -0.343 1.00 0.00 C ATOM 806 CZ TYR A 50 -1.950 21.620 -1.622 1.00 0.00 C ATOM 807 OH TYR A 50 -2.797 21.570 -2.704 1.00 0.00 O ATOM 0 H TYR A 50 -0.225 19.432 1.605 1.00 0.00 H new ATOM 0 HA TYR A 50 2.344 20.561 1.221 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.060 21.921 2.652 1.00 0.00 H new ATOM 0 HB3 TYR A 50 1.313 22.646 1.665 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.330 21.664 -0.885 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -2.023 21.765 1.732 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.181 21.579 -2.821 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.536 21.676 -0.189 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.366 21.080 -3.435 1.00 0.00 H new ATOM 817 N CYS A 51 3.362 20.831 3.519 1.00 0.00 N ATOM 818 CA CYS A 51 4.003 20.804 4.823 1.00 0.00 C ATOM 819 C CYS A 51 3.238 21.641 5.834 1.00 0.00 C ATOM 820 O CYS A 51 2.620 22.645 5.481 1.00 0.00 O ATOM 821 CB CYS A 51 5.430 21.311 4.702 1.00 0.00 C ATOM 822 SG CYS A 51 6.474 20.293 3.625 1.00 0.00 S ATOM 0 H CYS A 51 3.982 21.086 2.751 1.00 0.00 H new ATOM 0 HA CYS A 51 4.009 19.774 5.178 1.00 0.00 H new ATOM 0 HB2 CYS A 51 5.413 22.331 4.318 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.878 21.351 5.695 1.00 0.00 H new ATOM 827 N ARG A 52 3.281 21.223 7.086 1.00 0.00 N ATOM 828 CA ARG A 52 2.532 21.881 8.143 1.00 0.00 C ATOM 829 C ARG A 52 3.227 21.655 9.465 1.00 0.00 C ATOM 830 O ARG A 52 4.032 20.736 9.596 1.00 0.00 O ATOM 831 CB ARG A 52 1.101 21.333 8.210 1.00 0.00 C ATOM 832 CG ARG A 52 0.230 21.752 7.035 1.00 0.00 C ATOM 833 CD ARG A 52 -0.252 23.190 7.176 1.00 0.00 C ATOM 834 NE ARG A 52 -0.210 23.958 5.921 1.00 0.00 N ATOM 835 CZ ARG A 52 -0.722 23.563 4.744 1.00 0.00 C ATOM 836 NH1 ARG A 52 -1.324 22.387 4.620 1.00 0.00 N ATOM 837 NH2 ARG A 52 -0.630 24.362 3.687 1.00 0.00 N ATOM 0 H ARG A 52 3.832 20.423 7.398 1.00 0.00 H new ATOM 0 HA ARG A 52 2.485 22.949 7.930 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.140 20.245 8.252 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.635 21.671 9.135 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.794 21.646 6.108 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.629 21.085 6.963 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.275 23.185 7.554 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.361 23.697 7.922 1.00 0.00 H new ATOM 0 HE ARG A 52 0.248 24.869 5.948 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.403 21.767 5.426 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.707 22.103 3.718 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.173 25.270 3.772 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.017 24.068 2.790 1.00 0.00 H new ATOM 851 N ASN A 53 2.952 22.500 10.435 1.00 0.00 N ATOM 852 CA ASN A 53 3.452 22.265 11.767 1.00 0.00 C ATOM 853 C ASN A 53 2.284 22.127 12.742 1.00 0.00 C ATOM 854 O ASN A 53 1.956 23.071 13.461 1.00 0.00 O ATOM 855 CB ASN A 53 4.375 23.400 12.204 1.00 0.00 C ATOM 856 CG ASN A 53 5.356 22.944 13.255 1.00 0.00 C ATOM 857 OD1 ASN A 53 5.140 21.924 13.912 1.00 0.00 O ATOM 858 ND2 ASN A 53 6.418 23.707 13.444 1.00 0.00 N ATOM 0 H ASN A 53 2.392 23.345 10.327 1.00 0.00 H new ATOM 0 HA ASN A 53 4.027 21.339 11.766 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.918 23.781 11.339 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.779 24.225 12.595 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.102 23.461 14.159 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.554 24.542 12.875 1.00 0.00 H new ATOM 865 N PRO A 54 1.631 20.941 12.773 1.00 0.00 N ATOM 866 CA PRO A 54 0.485 20.690 13.651 1.00 0.00 C ATOM 867 C PRO A 54 0.816 20.896 15.116 1.00 0.00 C ATOM 868 O PRO A 54 -0.063 21.203 15.926 1.00 0.00 O ATOM 869 CB PRO A 54 0.132 19.222 13.416 1.00 0.00 C ATOM 870 CG PRO A 54 0.777 18.850 12.132 1.00 0.00 C ATOM 871 CD PRO A 54 1.957 19.766 11.952 1.00 0.00 C ATOM 0 HA PRO A 54 -0.328 21.380 13.426 1.00 0.00 H new ATOM 0 HB2 PRO A 54 0.496 18.597 14.232 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.948 19.083 13.366 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.096 17.808 12.148 1.00 0.00 H new ATOM 0 HG3 PRO A 54 0.077 18.956 11.304 1.00 0.00 H new ATOM 0 HD2 PRO A 54 2.882 19.293 12.283 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.094 20.037 10.905 1.00 0.00 H new ATOM 879 N ASP A 55 2.082 20.723 15.452 1.00 0.00 N ATOM 880 CA ASP A 55 2.514 20.854 16.829 1.00 0.00 C ATOM 881 C ASP A 55 3.203 22.178 17.077 1.00 0.00 C ATOM 882 O ASP A 55 3.432 22.570 18.219 1.00 0.00 O ATOM 883 CB ASP A 55 3.429 19.705 17.237 1.00 0.00 C ATOM 884 CG ASP A 55 2.651 18.522 17.780 1.00 0.00 C ATOM 885 OD1 ASP A 55 1.420 18.459 17.567 1.00 0.00 O ATOM 886 OD2 ASP A 55 3.266 17.661 18.443 1.00 0.00 O ATOM 0 H ASP A 55 2.825 20.492 14.792 1.00 0.00 H new ATOM 0 HA ASP A 55 1.615 20.817 17.444 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.017 19.387 16.376 1.00 0.00 H new ATOM 0 HB3 ASP A 55 4.133 20.053 17.993 1.00 0.00 H new ATOM 891 N GLY A 56 3.510 22.870 15.986 1.00 0.00 N ATOM 892 CA GLY A 56 4.266 24.099 16.060 1.00 0.00 C ATOM 893 C GLY A 56 5.608 23.874 16.694 1.00 0.00 C ATOM 894 O GLY A 56 6.030 24.630 17.566 1.00 0.00 O ATOM 0 H GLY A 56 3.243 22.594 15.041 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.398 24.508 15.059 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.708 24.838 16.635 1.00 0.00 H new ATOM 898 N ASP A 57 6.261 22.811 16.246 1.00 0.00 N ATOM 899 CA ASP A 57 7.602 22.483 16.677 1.00 0.00 C ATOM 900 C ASP A 57 8.487 23.694 16.504 1.00 0.00 C ATOM 901 O ASP A 57 8.467 24.328 15.444 1.00 0.00 O ATOM 902 CB ASP A 57 8.167 21.338 15.839 1.00 0.00 C ATOM 903 CG ASP A 57 9.255 20.573 16.561 1.00 0.00 C ATOM 904 OD1 ASP A 57 8.919 19.706 17.399 1.00 0.00 O ATOM 905 OD2 ASP A 57 10.445 20.829 16.294 1.00 0.00 O ATOM 0 H ASP A 57 5.870 22.153 15.572 1.00 0.00 H new ATOM 0 HA ASP A 57 7.571 22.179 17.723 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.361 20.654 15.574 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.566 21.737 14.906 1.00 0.00 H new ATOM 910 N VAL A 58 9.267 24.005 17.526 1.00 0.00 N ATOM 911 CA VAL A 58 10.122 25.184 17.514 1.00 0.00 C ATOM 912 C VAL A 58 11.353 24.948 16.629 1.00 0.00 C ATOM 913 O VAL A 58 12.408 25.563 16.804 1.00 0.00 O ATOM 914 CB VAL A 58 10.554 25.572 18.946 1.00 0.00 C ATOM 915 CG1 VAL A 58 11.008 27.020 18.997 1.00 0.00 C ATOM 916 CG2 VAL A 58 9.420 25.334 19.932 1.00 0.00 C ATOM 0 H VAL A 58 9.327 23.453 18.382 1.00 0.00 H new ATOM 0 HA VAL A 58 9.547 26.011 17.098 1.00 0.00 H new ATOM 0 HB VAL A 58 11.395 24.939 19.230 1.00 0.00 H new ATOM 0 HG11 VAL A 58 11.308 27.272 20.014 1.00 0.00 H new ATOM 0 HG12 VAL A 58 11.854 27.160 18.324 1.00 0.00 H new ATOM 0 HG13 VAL A 58 10.189 27.669 18.689 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.745 25.613 20.934 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.558 25.938 19.648 1.00 0.00 H new ATOM 0 HG23 VAL A 58 9.144 24.280 19.921 1.00 0.00 H new ATOM 926 N GLY A 59 11.201 24.041 15.679 1.00 0.00 N ATOM 927 CA GLY A 59 12.225 23.797 14.707 1.00 0.00 C ATOM 928 C GLY A 59 11.736 24.147 13.322 1.00 0.00 C ATOM 929 O GLY A 59 12.531 24.328 12.401 1.00 0.00 O ATOM 0 H GLY A 59 10.368 23.463 15.569 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.109 24.387 14.946 1.00 0.00 H new ATOM 0 HA3 GLY A 59 12.523 22.749 14.740 1.00 0.00 H new ATOM 933 N GLY A 60 10.414 24.250 13.173 1.00 0.00 N ATOM 934 CA GLY A 60 9.854 24.604 11.888 1.00 0.00 C ATOM 935 C GLY A 60 8.866 23.567 11.416 1.00 0.00 C ATOM 936 O GLY A 60 8.638 22.576 12.112 1.00 0.00 O ATOM 0 H GLY A 60 9.732 24.095 13.915 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.361 25.574 11.959 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.655 24.706 11.156 1.00 0.00 H new ATOM 940 N PRO A 61 8.269 23.752 10.234 1.00 0.00 N ATOM 941 CA PRO A 61 7.241 22.856 9.735 1.00 0.00 C ATOM 942 C PRO A 61 7.829 21.540 9.274 1.00 0.00 C ATOM 943 O PRO A 61 9.011 21.444 8.933 1.00 0.00 O ATOM 944 CB PRO A 61 6.639 23.619 8.563 1.00 0.00 C ATOM 945 CG PRO A 61 7.759 24.444 8.065 1.00 0.00 C ATOM 946 CD PRO A 61 8.573 24.822 9.274 1.00 0.00 C ATOM 0 HA PRO A 61 6.508 22.596 10.499 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.268 22.942 7.793 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.797 24.236 8.878 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.363 23.888 7.348 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.390 25.332 7.551 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.638 24.866 9.044 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.289 25.801 9.660 1.00 0.00 H new ATOM 954 N TRP A 62 6.991 20.541 9.239 1.00 0.00 N ATOM 955 CA TRP A 62 7.428 19.197 8.993 1.00 0.00 C ATOM 956 C TRP A 62 6.352 18.460 8.232 1.00 0.00 C ATOM 957 O TRP A 62 5.355 19.057 7.817 1.00 0.00 O ATOM 958 CB TRP A 62 7.712 18.498 10.323 1.00 0.00 C ATOM 959 CG TRP A 62 6.538 18.506 11.251 1.00 0.00 C ATOM 960 CD1 TRP A 62 6.096 19.552 11.994 1.00 0.00 C ATOM 961 CD2 TRP A 62 5.655 17.425 11.522 1.00 0.00 C ATOM 962 NE1 TRP A 62 4.979 19.188 12.714 1.00 0.00 N ATOM 963 CE2 TRP A 62 4.698 17.883 12.444 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.583 16.115 11.075 1.00 0.00 C ATOM 965 CZ2 TRP A 62 3.683 17.071 12.923 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.575 15.310 11.551 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.638 15.788 12.464 1.00 0.00 C ATOM 0 H TRP A 62 5.985 20.637 9.380 1.00 0.00 H new ATOM 0 HA TRP A 62 8.343 19.206 8.401 1.00 0.00 H new ATOM 0 HB2 TRP A 62 8.008 17.467 10.129 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.556 18.986 10.810 1.00 0.00 H new ATOM 0 HD1 TRP A 62 6.554 20.530 12.018 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.452 19.794 13.343 1.00 0.00 H new ATOM 0 HE3 TRP A 62 6.304 15.734 10.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 2.956 17.440 13.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.509 14.287 11.210 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.859 15.128 12.816 1.00 0.00 H new ATOM 978 N CYS A 63 6.564 17.181 8.040 1.00 0.00 N ATOM 979 CA CYS A 63 5.596 16.348 7.369 1.00 0.00 C ATOM 980 C CYS A 63 5.970 14.888 7.526 1.00 0.00 C ATOM 981 O CYS A 63 6.991 14.556 8.127 1.00 0.00 O ATOM 982 CB CYS A 63 5.509 16.723 5.892 1.00 0.00 C ATOM 983 SG CYS A 63 7.020 16.386 4.935 1.00 0.00 S ATOM 0 H CYS A 63 7.406 16.691 8.342 1.00 0.00 H new ATOM 0 HA CYS A 63 4.618 16.508 7.822 1.00 0.00 H new ATOM 0 HB2 CYS A 63 4.680 16.178 5.441 1.00 0.00 H new ATOM 0 HB3 CYS A 63 5.274 17.784 5.813 1.00 0.00 H new ATOM 988 N TYR A 64 5.136 14.027 6.984 1.00 0.00 N ATOM 989 CA TYR A 64 5.434 12.614 6.900 1.00 0.00 C ATOM 990 C TYR A 64 5.901 12.351 5.500 1.00 0.00 C ATOM 991 O TYR A 64 5.431 13.002 4.581 1.00 0.00 O ATOM 992 CB TYR A 64 4.207 11.778 7.249 1.00 0.00 C ATOM 993 CG TYR A 64 3.943 11.735 8.734 1.00 0.00 C ATOM 994 CD1 TYR A 64 4.787 11.027 9.574 1.00 0.00 C ATOM 995 CD2 TYR A 64 2.866 12.405 9.298 1.00 0.00 C ATOM 996 CE1 TYR A 64 4.568 10.980 10.935 1.00 0.00 C ATOM 997 CE2 TYR A 64 2.639 12.362 10.662 1.00 0.00 C ATOM 998 CZ TYR A 64 3.494 11.647 11.474 1.00 0.00 C ATOM 999 OH TYR A 64 3.277 11.598 12.829 1.00 0.00 O ATOM 0 H TYR A 64 4.232 14.287 6.589 1.00 0.00 H new ATOM 0 HA TYR A 64 6.207 12.334 7.616 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.335 12.188 6.740 1.00 0.00 H new ATOM 0 HB3 TYR A 64 4.345 10.762 6.878 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.633 10.502 9.155 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.197 12.967 8.664 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.237 10.422 11.574 1.00 0.00 H new ATOM 0 HE2 TYR A 64 1.796 12.886 11.089 1.00 0.00 H new ATOM 0 HH TYR A 64 3.009 12.485 13.150 1.00 0.00 H new ATOM 1009 N THR A 65 6.827 11.443 5.312 1.00 0.00 N ATOM 1010 CA THR A 65 7.423 11.301 4.007 1.00 0.00 C ATOM 1011 C THR A 65 6.825 10.106 3.300 1.00 0.00 C ATOM 1012 O THR A 65 6.413 9.143 3.941 1.00 0.00 O ATOM 1013 CB THR A 65 8.953 11.140 4.097 1.00 0.00 C ATOM 1014 OG1 THR A 65 9.297 9.752 4.205 1.00 0.00 O ATOM 1015 CG2 THR A 65 9.509 11.906 5.296 1.00 0.00 C ATOM 0 H THR A 65 7.178 10.805 6.027 1.00 0.00 H new ATOM 0 HA THR A 65 7.213 12.209 3.442 1.00 0.00 H new ATOM 0 HB THR A 65 9.394 11.550 3.188 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.480 9.532 5.142 1.00 0.00 H new ATOM 0 HG21 THR A 65 10.591 11.778 5.340 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.273 12.965 5.193 1.00 0.00 H new ATOM 0 HG23 THR A 65 9.061 11.522 6.213 1.00 0.00 H new ATOM 1023 N THR A 66 6.734 10.180 1.983 1.00 0.00 N ATOM 1024 CA THR A 66 6.338 9.027 1.198 1.00 0.00 C ATOM 1025 C THR A 66 7.519 8.067 1.000 1.00 0.00 C ATOM 1026 O THR A 66 7.506 7.217 0.107 1.00 0.00 O ATOM 1027 CB THR A 66 5.782 9.456 -0.171 1.00 0.00 C ATOM 1028 OG1 THR A 66 6.674 10.400 -0.783 1.00 0.00 O ATOM 1029 CG2 THR A 66 4.402 10.076 -0.031 1.00 0.00 C ATOM 0 H THR A 66 6.928 11.021 1.439 1.00 0.00 H new ATOM 0 HA THR A 66 5.552 8.510 1.749 1.00 0.00 H new ATOM 0 HB THR A 66 5.698 8.568 -0.798 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.637 11.249 -0.294 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.034 10.370 -1.014 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.720 9.349 0.410 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.461 10.954 0.612 1.00 0.00 H new ATOM 1037 N ASN A 67 8.528 8.206 1.854 1.00 0.00 N ATOM 1038 CA ASN A 67 9.746 7.408 1.776 1.00 0.00 C ATOM 1039 C ASN A 67 9.700 6.274 2.797 1.00 0.00 C ATOM 1040 O ASN A 67 9.647 6.522 4.002 1.00 0.00 O ATOM 1041 CB ASN A 67 10.950 8.309 2.058 1.00 0.00 C ATOM 1042 CG ASN A 67 12.287 7.623 1.907 1.00 0.00 C ATOM 1043 OD1 ASN A 67 12.385 6.405 1.831 1.00 0.00 O ATOM 1044 ND2 ASN A 67 13.337 8.419 1.909 1.00 0.00 N ATOM 0 H ASN A 67 8.524 8.877 2.622 1.00 0.00 H new ATOM 0 HA ASN A 67 9.832 6.976 0.779 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.915 9.164 1.383 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.867 8.700 3.072 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.276 8.025 1.846 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.211 9.429 1.974 1.00 0.00 H new ATOM 1051 N PRO A 68 9.736 5.016 2.338 1.00 0.00 N ATOM 1052 CA PRO A 68 9.659 3.838 3.214 1.00 0.00 C ATOM 1053 C PRO A 68 10.891 3.654 4.096 1.00 0.00 C ATOM 1054 O PRO A 68 10.996 2.679 4.836 1.00 0.00 O ATOM 1055 CB PRO A 68 9.519 2.657 2.243 1.00 0.00 C ATOM 1056 CG PRO A 68 9.208 3.266 0.916 1.00 0.00 C ATOM 1057 CD PRO A 68 9.835 4.629 0.926 1.00 0.00 C ATOM 0 HA PRO A 68 8.830 3.933 3.916 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.438 2.073 2.201 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.725 1.980 2.560 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.609 2.658 0.105 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.131 3.334 0.761 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.870 4.602 0.585 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.303 5.325 0.277 1.00 0.00 H new ATOM 1065 N ARG A 69 11.812 4.593 4.018 1.00 0.00 N ATOM 1066 CA ARG A 69 12.998 4.562 4.848 1.00 0.00 C ATOM 1067 C ARG A 69 12.723 5.186 6.207 1.00 0.00 C ATOM 1068 O ARG A 69 13.105 4.643 7.241 1.00 0.00 O ATOM 1069 CB ARG A 69 14.126 5.317 4.161 1.00 0.00 C ATOM 1070 CG ARG A 69 14.664 4.611 2.935 1.00 0.00 C ATOM 1071 CD ARG A 69 15.190 3.230 3.281 1.00 0.00 C ATOM 1072 NE ARG A 69 16.252 3.288 4.282 1.00 0.00 N ATOM 1073 CZ ARG A 69 17.267 2.427 4.334 1.00 0.00 C ATOM 1074 NH1 ARG A 69 17.358 1.446 3.443 1.00 0.00 N ATOM 1075 NH2 ARG A 69 18.196 2.555 5.270 1.00 0.00 N ATOM 0 H ARG A 69 11.761 5.391 3.385 1.00 0.00 H new ATOM 0 HA ARG A 69 13.288 3.522 4.995 1.00 0.00 H new ATOM 0 HB2 ARG A 69 13.769 6.306 3.874 1.00 0.00 H new ATOM 0 HB3 ARG A 69 14.939 5.465 4.872 1.00 0.00 H new ATOM 0 HG2 ARG A 69 13.876 4.526 2.187 1.00 0.00 H new ATOM 0 HG3 ARG A 69 15.462 5.206 2.491 1.00 0.00 H new ATOM 0 HD2 ARG A 69 14.373 2.613 3.654 1.00 0.00 H new ATOM 0 HD3 ARG A 69 15.567 2.748 2.379 1.00 0.00 H new ATOM 0 HE ARG A 69 16.214 4.030 4.981 1.00 0.00 H new ATOM 0 HH11 ARG A 69 16.649 1.350 2.716 1.00 0.00 H new ATOM 0 HH12 ARG A 69 18.137 0.789 3.486 1.00 0.00 H new ATOM 0 HH21 ARG A 69 18.134 3.313 5.950 1.00 0.00 H new ATOM 0 HH22 ARG A 69 18.973 1.896 5.310 1.00 0.00 H new ATOM 1089 N LYS A 70 12.043 6.319 6.197 1.00 0.00 N ATOM 1090 CA LYS A 70 11.816 7.078 7.414 1.00 0.00 C ATOM 1091 C LYS A 70 10.442 7.751 7.397 1.00 0.00 C ATOM 1092 O LYS A 70 9.962 8.201 6.362 1.00 0.00 O ATOM 1093 CB LYS A 70 12.959 8.083 7.622 1.00 0.00 C ATOM 1094 CG LYS A 70 13.522 8.712 6.352 1.00 0.00 C ATOM 1095 CD LYS A 70 12.533 9.613 5.638 1.00 0.00 C ATOM 1096 CE LYS A 70 13.193 10.353 4.488 1.00 0.00 C ATOM 1097 NZ LYS A 70 14.336 11.192 4.941 1.00 0.00 N ATOM 0 H LYS A 70 11.638 6.734 5.358 1.00 0.00 H new ATOM 0 HA LYS A 70 11.813 6.397 8.265 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.603 8.881 8.274 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.771 7.580 8.147 1.00 0.00 H new ATOM 0 HG2 LYS A 70 14.412 9.289 6.605 1.00 0.00 H new ATOM 0 HG3 LYS A 70 13.838 7.921 5.672 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.702 9.017 5.261 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.116 10.331 6.344 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.544 9.633 3.749 1.00 0.00 H new ATOM 0 HE3 LYS A 70 12.455 10.984 3.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 14.593 11.864 4.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.064 11.717 5.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 15.151 10.582 5.153 1.00 0.00 H new ATOM 1111 N LEU A 71 9.817 7.778 8.570 1.00 0.00 N ATOM 1112 CA LEU A 71 8.412 8.157 8.716 1.00 0.00 C ATOM 1113 C LEU A 71 8.171 9.640 8.479 1.00 0.00 C ATOM 1114 O LEU A 71 7.224 10.008 7.786 1.00 0.00 O ATOM 1115 CB LEU A 71 7.928 7.765 10.117 1.00 0.00 C ATOM 1116 CG LEU A 71 6.465 8.086 10.439 1.00 0.00 C ATOM 1117 CD1 LEU A 71 5.521 7.244 9.597 1.00 0.00 C ATOM 1118 CD2 LEU A 71 6.190 7.876 11.921 1.00 0.00 C ATOM 0 H LEU A 71 10.271 7.537 9.451 1.00 0.00 H new ATOM 0 HA LEU A 71 7.847 7.623 7.952 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.080 6.693 10.245 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.559 8.267 10.851 1.00 0.00 H new ATOM 0 HG LEU A 71 6.287 9.133 10.196 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.490 7.493 9.847 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.697 7.446 8.541 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.698 6.188 9.799 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.147 8.108 12.134 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.392 6.838 12.185 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.834 8.531 12.507 1.00 0.00 H new ATOM 1130 N TYR A 72 9.016 10.485 9.039 1.00 0.00 N ATOM 1131 CA TYR A 72 8.788 11.920 8.972 1.00 0.00 C ATOM 1132 C TYR A 72 10.109 12.667 8.903 1.00 0.00 C ATOM 1133 O TYR A 72 11.165 12.112 9.210 1.00 0.00 O ATOM 1134 CB TYR A 72 7.993 12.400 10.198 1.00 0.00 C ATOM 1135 CG TYR A 72 8.842 12.644 11.430 1.00 0.00 C ATOM 1136 CD1 TYR A 72 9.207 11.602 12.273 1.00 0.00 C ATOM 1137 CD2 TYR A 72 9.289 13.924 11.737 1.00 0.00 C ATOM 1138 CE1 TYR A 72 9.997 11.829 13.385 1.00 0.00 C ATOM 1139 CE2 TYR A 72 10.075 14.160 12.845 1.00 0.00 C ATOM 1140 CZ TYR A 72 10.428 13.111 13.666 1.00 0.00 C ATOM 1141 OH TYR A 72 11.226 13.342 14.764 1.00 0.00 O ATOM 0 H TYR A 72 9.860 10.208 9.541 1.00 0.00 H new ATOM 0 HA TYR A 72 8.212 12.127 8.070 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.471 13.322 9.941 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.231 11.658 10.436 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.869 10.599 12.057 1.00 0.00 H new ATOM 0 HD2 TYR A 72 9.016 14.749 11.096 1.00 0.00 H new ATOM 0 HE1 TYR A 72 10.275 11.009 14.030 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.412 15.161 13.068 1.00 0.00 H new ATOM 0 HH TYR A 72 11.441 14.297 14.817 1.00 0.00 H new ATOM 1151 N ASP A 73 10.019 13.923 8.508 1.00 0.00 N ATOM 1152 CA ASP A 73 11.150 14.853 8.529 1.00 0.00 C ATOM 1153 C ASP A 73 10.624 16.271 8.646 1.00 0.00 C ATOM 1154 O ASP A 73 9.420 16.476 8.748 1.00 0.00 O ATOM 1155 CB ASP A 73 11.998 14.752 7.255 1.00 0.00 C ATOM 1156 CG ASP A 73 13.057 13.670 7.307 1.00 0.00 C ATOM 1157 OD1 ASP A 73 14.037 13.820 8.069 1.00 0.00 O ATOM 1158 OD2 ASP A 73 12.933 12.680 6.563 1.00 0.00 O ATOM 0 H ASP A 73 9.155 14.337 8.159 1.00 0.00 H new ATOM 0 HA ASP A 73 11.778 14.593 9.381 1.00 0.00 H new ATOM 0 HB2 ASP A 73 11.340 14.563 6.407 1.00 0.00 H new ATOM 0 HB3 ASP A 73 12.482 15.712 7.075 1.00 0.00 H new ATOM 1163 N TYR A 74 11.523 17.243 8.628 1.00 0.00 N ATOM 1164 CA TYR A 74 11.131 18.644 8.557 1.00 0.00 C ATOM 1165 C TYR A 74 11.113 19.076 7.100 1.00 0.00 C ATOM 1166 O TYR A 74 11.693 18.402 6.257 1.00 0.00 O ATOM 1167 CB TYR A 74 12.115 19.529 9.325 1.00 0.00 C ATOM 1168 CG TYR A 74 12.049 19.397 10.832 1.00 0.00 C ATOM 1169 CD1 TYR A 74 12.699 18.359 11.485 1.00 0.00 C ATOM 1170 CD2 TYR A 74 11.355 20.327 11.604 1.00 0.00 C ATOM 1171 CE1 TYR A 74 12.662 18.250 12.861 1.00 0.00 C ATOM 1172 CE2 TYR A 74 11.311 20.219 12.981 1.00 0.00 C ATOM 1173 CZ TYR A 74 11.967 19.179 13.604 1.00 0.00 C ATOM 1174 OH TYR A 74 11.945 19.078 14.978 1.00 0.00 O ATOM 0 H TYR A 74 12.531 17.088 8.662 1.00 0.00 H new ATOM 0 HA TYR A 74 10.143 18.753 9.005 1.00 0.00 H new ATOM 0 HB2 TYR A 74 13.127 19.291 8.998 1.00 0.00 H new ATOM 0 HB3 TYR A 74 11.930 20.569 9.058 1.00 0.00 H new ATOM 0 HD1 TYR A 74 13.242 17.625 10.908 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.844 21.145 11.118 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.177 17.438 13.354 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.766 20.945 13.566 1.00 0.00 H new ATOM 0 HH TYR A 74 11.195 19.600 15.332 1.00 0.00 H new ATOM 1184 N CYS A 75 10.446 20.177 6.807 1.00 0.00 N ATOM 1185 CA CYS A 75 10.411 20.706 5.450 1.00 0.00 C ATOM 1186 C CYS A 75 11.286 21.938 5.317 1.00 0.00 C ATOM 1187 O CYS A 75 11.783 22.477 6.307 1.00 0.00 O ATOM 1188 CB CYS A 75 8.987 21.053 5.043 1.00 0.00 C ATOM 1189 SG CYS A 75 7.890 19.621 4.903 1.00 0.00 S ATOM 0 H CYS A 75 9.920 20.725 7.488 1.00 0.00 H new ATOM 0 HA CYS A 75 10.796 19.929 4.789 1.00 0.00 H new ATOM 0 HB2 CYS A 75 8.570 21.747 5.773 1.00 0.00 H new ATOM 0 HB3 CYS A 75 9.011 21.574 4.086 1.00 0.00 H new ATOM 1194 N ASP A 76 11.458 22.385 4.086 1.00 0.00 N ATOM 1195 CA ASP A 76 12.275 23.549 3.802 1.00 0.00 C ATOM 1196 C ASP A 76 11.424 24.652 3.185 1.00 0.00 C ATOM 1197 O ASP A 76 11.508 24.937 1.988 1.00 0.00 O ATOM 1198 CB ASP A 76 13.440 23.178 2.875 1.00 0.00 C ATOM 1199 CG ASP A 76 14.332 24.363 2.545 1.00 0.00 C ATOM 1200 OD1 ASP A 76 14.944 24.936 3.473 1.00 0.00 O ATOM 1201 OD2 ASP A 76 14.442 24.717 1.350 1.00 0.00 O ATOM 0 H ASP A 76 11.039 21.955 3.262 1.00 0.00 H new ATOM 0 HA ASP A 76 12.693 23.918 4.739 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.039 22.399 3.346 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.043 22.760 1.950 1.00 0.00 H new ATOM 1206 N VAL A 77 10.561 25.240 3.999 1.00 0.00 N ATOM 1207 CA VAL A 77 9.795 26.394 3.577 1.00 0.00 C ATOM 1208 C VAL A 77 10.279 27.645 4.303 1.00 0.00 C ATOM 1209 O VAL A 77 10.421 27.659 5.525 1.00 0.00 O ATOM 1210 CB VAL A 77 8.279 26.197 3.790 1.00 0.00 C ATOM 1211 CG1 VAL A 77 7.967 25.766 5.203 1.00 0.00 C ATOM 1212 CG2 VAL A 77 7.513 27.457 3.438 1.00 0.00 C ATOM 0 H VAL A 77 10.376 24.935 4.954 1.00 0.00 H new ATOM 0 HA VAL A 77 9.956 26.518 2.506 1.00 0.00 H new ATOM 0 HB VAL A 77 7.959 25.399 3.120 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.890 25.637 5.315 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.469 24.822 5.415 1.00 0.00 H new ATOM 0 HG13 VAL A 77 8.316 26.527 5.901 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.447 27.291 3.597 1.00 0.00 H new ATOM 0 HG22 VAL A 77 7.851 28.277 4.071 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.689 27.710 2.392 1.00 0.00 H new ATOM 1222 N PRO A 78 10.571 28.693 3.528 1.00 0.00 N ATOM 1223 CA PRO A 78 11.090 29.967 4.040 1.00 0.00 C ATOM 1224 C PRO A 78 10.145 30.669 4.989 1.00 0.00 C ATOM 1225 O PRO A 78 8.936 30.420 5.012 1.00 0.00 O ATOM 1226 CB PRO A 78 11.278 30.809 2.769 1.00 0.00 C ATOM 1227 CG PRO A 78 10.387 30.172 1.756 1.00 0.00 C ATOM 1228 CD PRO A 78 10.427 28.714 2.064 1.00 0.00 C ATOM 0 HA PRO A 78 11.999 29.814 4.622 1.00 0.00 H new ATOM 0 HB2 PRO A 78 11.003 31.850 2.939 1.00 0.00 H new ATOM 0 HB3 PRO A 78 12.317 30.804 2.441 1.00 0.00 H new ATOM 0 HG2 PRO A 78 9.371 30.561 1.824 1.00 0.00 H new ATOM 0 HG3 PRO A 78 10.737 30.370 0.743 1.00 0.00 H new ATOM 0 HD2 PRO A 78 9.518 28.207 1.740 1.00 0.00 H new ATOM 0 HD3 PRO A 78 11.262 28.219 1.568 1.00 0.00 H new ATOM 1236 N GLN A 79 10.726 31.550 5.777 1.00 0.00 N ATOM 1237 CA GLN A 79 9.987 32.338 6.721 1.00 0.00 C ATOM 1238 C GLN A 79 9.211 33.428 5.997 1.00 0.00 C ATOM 1239 O GLN A 79 9.788 34.329 5.388 1.00 0.00 O ATOM 1240 CB GLN A 79 10.938 32.938 7.756 1.00 0.00 C ATOM 1241 CG GLN A 79 10.228 33.753 8.804 1.00 0.00 C ATOM 1242 CD GLN A 79 9.225 32.930 9.577 1.00 0.00 C ATOM 1243 OE1 GLN A 79 8.185 33.446 9.961 1.00 0.00 O ATOM 1244 NE2 GLN A 79 9.528 31.642 9.797 1.00 0.00 N ATOM 0 H GLN A 79 11.729 31.735 5.775 1.00 0.00 H new ATOM 0 HA GLN A 79 9.272 31.700 7.241 1.00 0.00 H new ATOM 0 HB2 GLN A 79 11.491 32.134 8.242 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.669 33.567 7.248 1.00 0.00 H new ATOM 0 HG2 GLN A 79 10.960 34.174 9.493 1.00 0.00 H new ATOM 0 HG3 GLN A 79 9.719 34.591 8.328 1.00 0.00 H new ATOM 0 HE21 GLN A 79 10.410 31.260 9.455 1.00 0.00 H new ATOM 0 HE22 GLN A 79 8.877 31.045 10.306 1.00 0.00 H new ATOM 1253 N CYS A 80 7.899 33.307 6.051 1.00 0.00 N ATOM 1254 CA CYS A 80 6.998 34.258 5.434 1.00 0.00 C ATOM 1255 C CYS A 80 6.962 35.520 6.271 1.00 0.00 C ATOM 1256 O CYS A 80 6.990 36.636 5.751 1.00 0.00 O ATOM 1257 CB CYS A 80 5.596 33.655 5.344 1.00 0.00 C ATOM 1258 SG CYS A 80 4.700 34.039 3.807 1.00 0.00 S ATOM 0 H CYS A 80 7.426 32.540 6.528 1.00 0.00 H new ATOM 0 HA CYS A 80 7.346 34.496 4.429 1.00 0.00 H new ATOM 0 HB2 CYS A 80 5.674 32.572 5.442 1.00 0.00 H new ATOM 0 HB3 CYS A 80 5.008 34.010 6.190 1.00 0.00 H new ATOM 1263 N ALA A 81 6.916 35.323 7.582 1.00 0.00 N ATOM 1264 CA ALA A 81 6.926 36.435 8.523 1.00 0.00 C ATOM 1265 C ALA A 81 8.353 36.910 8.770 1.00 0.00 C ATOM 1266 O ALA A 81 8.876 36.811 9.881 1.00 0.00 O ATOM 1267 CB ALA A 81 6.257 36.034 9.832 1.00 0.00 C ATOM 0 H ALA A 81 6.871 34.402 8.018 1.00 0.00 H new ATOM 0 HA ALA A 81 6.360 37.260 8.090 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.274 36.877 10.522 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.224 35.744 9.639 1.00 0.00 H new ATOM 0 HB3 ALA A 81 6.794 35.194 10.272 1.00 0.00 H new ATOM 1273 N ALA A 82 8.986 37.408 7.721 1.00 0.00 N ATOM 1274 CA ALA A 82 10.345 37.899 7.813 1.00 0.00 C ATOM 1275 C ALA A 82 10.406 39.347 7.352 1.00 0.00 C ATOM 1276 O ALA A 82 10.543 39.580 6.134 1.00 0.00 O ATOM 1277 CB ALA A 82 11.285 37.028 6.991 1.00 0.00 C ATOM 1278 OXT ALA A 82 10.284 40.249 8.206 1.00 0.00 O ATOM 0 H ALA A 82 8.574 37.482 6.791 1.00 0.00 H new ATOM 0 HA ALA A 82 10.667 37.852 8.853 1.00 0.00 H new ATOM 0 HB1 ALA A 82 12.302 37.412 7.072 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.253 36.005 7.365 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.974 37.042 5.946 1.00 0.00 H new TER 1284 ALA A 82