USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 418 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 18 ASN : amide:sc= -1.72 K(o=-1.6,f=-3.1!) USER MOD Set 1.2: A 24 THR OG1 : rot -170:sc= 0.0868 USER MOD Single : A 1 ALA N :NH3+ -168:sc=-0.00436 (180deg=-0.151) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot -67:sc= 0.354 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.884 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -2.03 K(o=-2,f=-6.6!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -159:sc= -0.0269 (180deg=-0.683) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0456) USER MOD Single : A 33 ASN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -64:sc= 1 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.266 X(o=-0.27,f=-0.27) USER MOD Single : A 41 ASN : amide:sc= 0.213 K(o=0.21,f=0.78) USER MOD Single : A 42 LYS NZ :NH3+ -161:sc= -0.0648 (180deg=-0.357) USER MOD Single : A 44 THR OG1 : rot 101:sc= -0.929 USER MOD Single : A 47 THR OG1 : rot -13:sc= 0.0878! USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.825 K(o=-0.82,f=-0.0044) USER MOD Single : A 50 ASN : amide:sc= -0.0239 K(o=-0.024,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.193 1.704 -0.472 1.00 43.02 N ATOM 2 CA ALA A 1 2.365 1.318 -1.867 1.00 50.34 C ATOM 3 C ALA A 1 3.642 0.507 -2.060 1.00 0.44 C ATOM 4 O ALA A 1 3.681 -0.430 -2.857 1.00 51.44 O ATOM 5 CB ALA A 1 2.382 2.552 -2.758 1.00 33.02 C ATOM 0 H1 ALA A 1 1.231 2.073 -0.330 1.00 43.02 H new ATOM 0 H2 ALA A 1 2.340 0.875 0.138 1.00 43.02 H new ATOM 0 H3 ALA A 1 2.885 2.441 -0.228 1.00 43.02 H new ATOM 0 HA ALA A 1 1.521 0.690 -2.150 1.00 50.34 H new ATOM 0 HB1 ALA A 1 2.511 2.249 -3.797 1.00 33.02 H new ATOM 0 HB2 ALA A 1 1.440 3.091 -2.651 1.00 33.02 H new ATOM 0 HB3 ALA A 1 3.207 3.201 -2.464 1.00 33.02 H new ATOM 11 N LYS A 2 4.686 0.874 -1.324 1.00 63.23 N ATOM 12 CA LYS A 2 5.966 0.181 -1.413 1.00 31.42 C ATOM 13 C LYS A 2 6.509 -0.139 -0.024 1.00 34.44 C ATOM 14 O LYS A 2 6.620 0.743 0.828 1.00 24.20 O ATOM 15 CB LYS A 2 6.978 1.031 -2.184 1.00 11.22 C ATOM 16 CG LYS A 2 7.145 2.434 -1.625 1.00 31.52 C ATOM 17 CD LYS A 2 8.609 2.775 -1.402 1.00 72.44 C ATOM 18 CE LYS A 2 9.268 3.264 -2.683 1.00 13.42 C ATOM 19 NZ LYS A 2 8.932 4.686 -2.971 1.00 11.35 N ATOM 0 H LYS A 2 4.671 1.647 -0.659 1.00 63.23 H new ATOM 0 HA LYS A 2 5.807 -0.756 -1.947 1.00 31.42 H new ATOM 0 HB2 LYS A 2 7.945 0.528 -2.174 1.00 11.22 H new ATOM 0 HB3 LYS A 2 6.664 1.099 -3.226 1.00 11.22 H new ATOM 0 HG2 LYS A 2 6.703 3.155 -2.312 1.00 31.52 H new ATOM 0 HG3 LYS A 2 6.603 2.518 -0.683 1.00 31.52 H new ATOM 0 HD2 LYS A 2 8.692 3.543 -0.633 1.00 72.44 H new ATOM 0 HD3 LYS A 2 9.137 1.896 -1.033 1.00 72.44 H new ATOM 0 HE2 LYS A 2 10.349 3.156 -2.599 1.00 13.42 H new ATOM 0 HE3 LYS A 2 8.949 2.639 -3.517 1.00 13.42 H new ATOM 0 HZ1 LYS A 2 9.400 4.982 -3.851 1.00 11.35 H new ATOM 0 HZ2 LYS A 2 7.902 4.785 -3.076 1.00 11.35 H new ATOM 0 HZ3 LYS A 2 9.259 5.286 -2.187 1.00 11.35 H new ATOM 33 N TYR A 3 6.845 -1.405 0.198 1.00 63.12 N ATOM 34 CA TYR A 3 7.376 -1.841 1.484 1.00 35.11 C ATOM 35 C TYR A 3 8.732 -1.200 1.760 1.00 63.13 C ATOM 36 O TYR A 3 9.477 -0.872 0.836 1.00 65.34 O ATOM 37 CB TYR A 3 7.503 -3.365 1.517 1.00 70.12 C ATOM 38 CG TYR A 3 6.289 -4.086 0.975 1.00 45.14 C ATOM 39 CD1 TYR A 3 5.082 -4.068 1.662 1.00 20.20 C ATOM 40 CD2 TYR A 3 6.350 -4.785 -0.224 1.00 64.52 C ATOM 41 CE1 TYR A 3 3.971 -4.726 1.171 1.00 52.10 C ATOM 42 CE2 TYR A 3 5.244 -5.445 -0.724 1.00 11.35 C ATOM 43 CZ TYR A 3 4.057 -5.412 -0.022 1.00 74.33 C ATOM 44 OH TYR A 3 2.953 -6.069 -0.516 1.00 15.14 O ATOM 0 H TYR A 3 6.759 -2.147 -0.496 1.00 63.12 H new ATOM 0 HA TYR A 3 6.681 -1.524 2.261 1.00 35.11 H new ATOM 0 HB2 TYR A 3 8.379 -3.661 0.939 1.00 70.12 H new ATOM 0 HB3 TYR A 3 7.676 -3.685 2.545 1.00 70.12 H new ATOM 0 HD1 TYR A 3 5.011 -3.530 2.596 1.00 20.20 H new ATOM 0 HD2 TYR A 3 7.278 -4.813 -0.775 1.00 64.52 H new ATOM 0 HE1 TYR A 3 3.040 -4.703 1.718 1.00 52.10 H new ATOM 0 HE2 TYR A 3 5.308 -5.983 -1.658 1.00 11.35 H new ATOM 0 HH TYR A 3 2.733 -6.824 0.069 1.00 15.14 H new ATOM 54 N THR A 4 9.048 -1.024 3.039 1.00 35.43 N ATOM 55 CA THR A 4 10.313 -0.423 3.439 1.00 43.42 C ATOM 56 C THR A 4 11.033 -1.288 4.467 1.00 11.43 C ATOM 57 O THR A 4 10.402 -1.904 5.325 1.00 0.20 O ATOM 58 CB THR A 4 10.105 0.986 4.025 1.00 1.45 C ATOM 59 OG1 THR A 4 9.443 1.822 3.070 1.00 73.12 O ATOM 60 CG2 THR A 4 11.436 1.611 4.417 1.00 15.52 C ATOM 0 H THR A 4 8.444 -1.290 3.816 1.00 35.43 H new ATOM 0 HA THR A 4 10.925 -0.348 2.540 1.00 43.42 H new ATOM 0 HB THR A 4 9.486 0.896 4.918 1.00 1.45 H new ATOM 0 HG1 THR A 4 9.313 2.715 3.452 1.00 73.12 H new ATOM 0 HG21 THR A 4 11.264 2.606 4.828 1.00 15.52 H new ATOM 0 HG22 THR A 4 11.924 0.988 5.167 1.00 15.52 H new ATOM 0 HG23 THR A 4 12.075 1.688 3.537 1.00 15.52 H new ATOM 68 N GLY A 5 12.359 -1.329 4.376 1.00 51.43 N ATOM 69 CA GLY A 5 13.142 -2.121 5.305 1.00 5.03 C ATOM 70 C GLY A 5 14.628 -1.840 5.198 1.00 61.05 C ATOM 71 O GLY A 5 15.037 -0.832 4.620 1.00 22.42 O ATOM 0 H GLY A 5 12.904 -0.827 3.675 1.00 51.43 H new ATOM 0 HA2 GLY A 5 12.809 -1.916 6.322 1.00 5.03 H new ATOM 0 HA3 GLY A 5 12.961 -3.179 5.117 1.00 5.03 H new ATOM 75 N LYS A 6 15.439 -2.732 5.756 1.00 3.10 N ATOM 76 CA LYS A 6 16.889 -2.576 5.721 1.00 34.12 C ATOM 77 C LYS A 6 17.571 -3.902 5.399 1.00 12.15 C ATOM 78 O LYS A 6 17.045 -4.973 5.704 1.00 14.33 O ATOM 79 CB LYS A 6 17.397 -2.041 7.062 1.00 50.02 C ATOM 80 CG LYS A 6 16.509 -0.965 7.663 1.00 23.23 C ATOM 81 CD LYS A 6 15.529 -1.548 8.667 1.00 32.31 C ATOM 82 CE LYS A 6 16.085 -1.500 10.082 1.00 13.31 C ATOM 83 NZ LYS A 6 16.079 -2.842 10.727 1.00 62.14 N ATOM 0 H LYS A 6 15.117 -3.571 6.238 1.00 3.10 H new ATOM 0 HA LYS A 6 17.134 -1.861 4.935 1.00 34.12 H new ATOM 0 HB2 LYS A 6 17.478 -2.869 7.767 1.00 50.02 H new ATOM 0 HB3 LYS A 6 18.401 -1.638 6.926 1.00 50.02 H new ATOM 0 HG2 LYS A 6 17.128 -0.212 8.152 1.00 23.23 H new ATOM 0 HG3 LYS A 6 15.960 -0.459 6.869 1.00 23.23 H new ATOM 0 HD2 LYS A 6 14.591 -0.995 8.625 1.00 32.31 H new ATOM 0 HD3 LYS A 6 15.303 -2.580 8.399 1.00 32.31 H new ATOM 0 HE2 LYS A 6 17.104 -1.113 10.059 1.00 13.31 H new ATOM 0 HE3 LYS A 6 15.494 -0.807 10.681 1.00 13.31 H new ATOM 0 HZ1 LYS A 6 16.465 -2.766 11.690 1.00 62.14 H new ATOM 0 HZ2 LYS A 6 15.104 -3.201 10.773 1.00 62.14 H new ATOM 0 HZ3 LYS A 6 16.663 -3.498 10.170 1.00 62.14 H new ATOM 97 N CYS A 7 18.745 -3.823 4.783 1.00 25.42 N ATOM 98 CA CYS A 7 19.501 -5.017 4.421 1.00 52.41 C ATOM 99 C CYS A 7 20.726 -5.177 5.316 1.00 64.02 C ATOM 100 O CYS A 7 20.863 -4.492 6.330 1.00 44.32 O ATOM 101 CB CYS A 7 19.932 -4.947 2.955 1.00 71.14 C ATOM 102 SG CYS A 7 18.983 -3.755 1.956 1.00 35.32 S ATOM 0 H CYS A 7 19.194 -2.945 4.524 1.00 25.42 H new ATOM 0 HA CYS A 7 18.855 -5.883 4.562 1.00 52.41 H new ATOM 0 HB2 CYS A 7 20.988 -4.682 2.910 1.00 71.14 H new ATOM 0 HB3 CYS A 7 19.833 -5.937 2.511 1.00 71.14 H new ATOM 107 N THR A 8 21.616 -6.088 4.933 1.00 4.44 N ATOM 108 CA THR A 8 22.830 -6.339 5.700 1.00 31.42 C ATOM 109 C THR A 8 24.040 -6.481 4.784 1.00 50.31 C ATOM 110 O THR A 8 24.053 -7.316 3.880 1.00 61.24 O ATOM 111 CB THR A 8 22.698 -7.612 6.558 1.00 25.00 C ATOM 112 OG1 THR A 8 21.318 -7.957 6.714 1.00 75.20 O ATOM 113 CG2 THR A 8 23.334 -7.411 7.926 1.00 53.15 C ATOM 0 H THR A 8 21.519 -6.664 4.097 1.00 4.44 H new ATOM 0 HA THR A 8 22.973 -5.480 6.356 1.00 31.42 H new ATOM 0 HB THR A 8 23.219 -8.423 6.048 1.00 25.00 H new ATOM 0 HG1 THR A 8 21.243 -8.768 7.259 1.00 75.20 H new ATOM 0 HG21 THR A 8 23.228 -8.323 8.514 1.00 53.15 H new ATOM 0 HG22 THR A 8 24.392 -7.178 7.805 1.00 53.15 H new ATOM 0 HG23 THR A 8 22.838 -6.588 8.441 1.00 53.15 H new ATOM 121 N LYS A 9 25.057 -5.659 5.023 1.00 34.33 N ATOM 122 CA LYS A 9 26.274 -5.693 4.221 1.00 34.30 C ATOM 123 C LYS A 9 26.923 -7.073 4.276 1.00 51.54 C ATOM 124 O LYS A 9 27.739 -7.419 3.422 1.00 72.14 O ATOM 125 CB LYS A 9 27.262 -4.633 4.711 1.00 0.13 C ATOM 126 CG LYS A 9 27.912 -4.975 6.041 1.00 73.31 C ATOM 127 CD LYS A 9 29.288 -5.590 5.847 1.00 11.52 C ATOM 128 CE LYS A 9 30.390 -4.559 6.040 1.00 22.44 C ATOM 129 NZ LYS A 9 30.613 -3.749 4.811 1.00 5.23 N ATOM 0 H LYS A 9 25.062 -4.961 5.766 1.00 34.33 H new ATOM 0 HA LYS A 9 26.004 -5.478 3.187 1.00 34.30 H new ATOM 0 HB2 LYS A 9 28.040 -4.499 3.960 1.00 0.13 H new ATOM 0 HB3 LYS A 9 26.742 -3.680 4.805 1.00 0.13 H new ATOM 0 HG2 LYS A 9 27.998 -4.074 6.648 1.00 73.31 H new ATOM 0 HG3 LYS A 9 27.276 -5.670 6.590 1.00 73.31 H new ATOM 0 HD2 LYS A 9 29.425 -6.408 6.554 1.00 11.52 H new ATOM 0 HD3 LYS A 9 29.359 -6.018 4.847 1.00 11.52 H new ATOM 0 HE2 LYS A 9 30.129 -3.899 6.867 1.00 22.44 H new ATOM 0 HE3 LYS A 9 31.316 -5.064 6.315 1.00 22.44 H new ATOM 0 HZ1 LYS A 9 31.371 -3.058 4.983 1.00 5.23 H new ATOM 0 HZ2 LYS A 9 30.887 -4.375 4.027 1.00 5.23 H new ATOM 0 HZ3 LYS A 9 29.737 -3.247 4.563 1.00 5.23 H new ATOM 143 N SER A 10 26.554 -7.856 5.284 1.00 2.33 N ATOM 144 CA SER A 10 27.103 -9.196 5.451 1.00 33.51 C ATOM 145 C SER A 10 27.057 -9.970 4.137 1.00 54.33 C ATOM 146 O SER A 10 28.080 -10.162 3.479 1.00 14.21 O ATOM 147 CB SER A 10 26.329 -9.956 6.530 1.00 22.33 C ATOM 148 OG SER A 10 26.674 -11.331 6.533 1.00 42.22 O ATOM 0 H SER A 10 25.877 -7.586 5.997 1.00 2.33 H new ATOM 0 HA SER A 10 28.144 -9.099 5.760 1.00 33.51 H new ATOM 0 HB2 SER A 10 26.541 -9.523 7.507 1.00 22.33 H new ATOM 0 HB3 SER A 10 25.258 -9.847 6.359 1.00 22.33 H new ATOM 0 HG SER A 10 26.167 -11.794 7.232 1.00 42.22 H new ATOM 154 N LYS A 11 25.862 -10.412 3.759 1.00 13.33 N ATOM 155 CA LYS A 11 25.679 -11.163 2.523 1.00 33.34 C ATOM 156 C LYS A 11 24.608 -10.519 1.648 1.00 30.34 C ATOM 157 O LYS A 11 24.147 -11.115 0.676 1.00 44.14 O ATOM 158 CB LYS A 11 25.295 -12.611 2.835 1.00 35.51 C ATOM 159 CG LYS A 11 26.157 -13.637 2.119 1.00 14.13 C ATOM 160 CD LYS A 11 25.534 -15.022 2.171 1.00 24.35 C ATOM 161 CE LYS A 11 24.480 -15.201 1.090 1.00 15.44 C ATOM 162 NZ LYS A 11 24.386 -16.615 0.635 1.00 35.31 N ATOM 0 H LYS A 11 25.005 -10.263 4.292 1.00 13.33 H new ATOM 0 HA LYS A 11 26.623 -11.153 1.978 1.00 33.34 H new ATOM 0 HB2 LYS A 11 25.369 -12.774 3.910 1.00 35.51 H new ATOM 0 HB3 LYS A 11 24.252 -12.769 2.559 1.00 35.51 H new ATOM 0 HG2 LYS A 11 26.294 -13.337 1.080 1.00 14.13 H new ATOM 0 HG3 LYS A 11 27.146 -13.665 2.576 1.00 14.13 H new ATOM 0 HD2 LYS A 11 26.312 -15.776 2.051 1.00 24.35 H new ATOM 0 HD3 LYS A 11 25.083 -15.182 3.150 1.00 24.35 H new ATOM 0 HE2 LYS A 11 23.511 -14.877 1.470 1.00 15.44 H new ATOM 0 HE3 LYS A 11 24.719 -14.561 0.240 1.00 15.44 H new ATOM 0 HZ1 LYS A 11 23.656 -16.695 -0.102 1.00 35.31 H new ATOM 0 HZ2 LYS A 11 25.303 -16.917 0.248 1.00 35.31 H new ATOM 0 HZ3 LYS A 11 24.133 -17.223 1.440 1.00 35.31 H new ATOM 176 N ASN A 12 24.218 -9.299 2.001 1.00 54.42 N ATOM 177 CA ASN A 12 23.202 -8.574 1.246 1.00 14.45 C ATOM 178 C ASN A 12 21.855 -9.286 1.324 1.00 71.45 C ATOM 179 O ASN A 12 21.705 -10.405 0.834 1.00 64.40 O ATOM 180 CB ASN A 12 23.630 -8.426 -0.215 1.00 1.22 C ATOM 181 CG ASN A 12 22.483 -8.657 -1.180 1.00 25.41 C ATOM 182 OD1 ASN A 12 22.296 -9.765 -1.685 1.00 2.53 O ATOM 183 ND2 ASN A 12 21.709 -7.610 -1.441 1.00 25.31 N ATOM 0 H ASN A 12 24.589 -8.792 2.804 1.00 54.42 H new ATOM 0 HA ASN A 12 23.095 -7.583 1.688 1.00 14.45 H new ATOM 0 HB2 ASN A 12 24.038 -7.427 -0.372 1.00 1.22 H new ATOM 0 HB3 ASN A 12 24.430 -9.134 -0.430 1.00 1.22 H new ATOM 0 HD21 ASN A 12 20.922 -7.705 -2.083 1.00 25.31 H new ATOM 0 HD22 ASN A 12 21.901 -6.711 -1.000 1.00 25.31 H new ATOM 190 N GLU A 13 20.878 -8.629 1.941 1.00 21.32 N ATOM 191 CA GLU A 13 19.544 -9.201 2.082 1.00 0.11 C ATOM 192 C GLU A 13 18.560 -8.161 2.610 1.00 33.23 C ATOM 193 O GLU A 13 18.409 -7.991 3.820 1.00 0.35 O ATOM 194 CB GLU A 13 19.579 -10.409 3.020 1.00 1.05 C ATOM 195 CG GLU A 13 18.870 -11.632 2.464 1.00 23.53 C ATOM 196 CD GLU A 13 18.776 -12.761 3.473 1.00 65.03 C ATOM 197 OE1 GLU A 13 19.229 -12.569 4.621 1.00 40.02 O ATOM 198 OE2 GLU A 13 18.251 -13.836 3.114 1.00 2.43 O ATOM 0 H GLU A 13 20.985 -7.701 2.351 1.00 21.32 H new ATOM 0 HA GLU A 13 19.209 -9.526 1.097 1.00 0.11 H new ATOM 0 HB2 GLU A 13 20.617 -10.666 3.230 1.00 1.05 H new ATOM 0 HB3 GLU A 13 19.120 -10.134 3.970 1.00 1.05 H new ATOM 0 HG2 GLU A 13 17.867 -11.351 2.144 1.00 23.53 H new ATOM 0 HG3 GLU A 13 19.400 -11.984 1.579 1.00 23.53 H new ATOM 205 N CYS A 14 17.892 -7.468 1.694 1.00 21.10 N ATOM 206 CA CYS A 14 16.923 -6.444 2.065 1.00 31.21 C ATOM 207 C CYS A 14 15.634 -7.077 2.583 1.00 44.03 C ATOM 208 O CYS A 14 14.903 -7.725 1.834 1.00 52.23 O ATOM 209 CB CYS A 14 16.616 -5.544 0.866 1.00 23.24 C ATOM 210 SG CYS A 14 17.585 -4.002 0.828 1.00 54.40 S ATOM 0 H CYS A 14 18.004 -7.597 0.688 1.00 21.10 H new ATOM 0 HA CYS A 14 17.357 -5.840 2.862 1.00 31.21 H new ATOM 0 HB2 CYS A 14 16.804 -6.102 -0.051 1.00 23.24 H new ATOM 0 HB3 CYS A 14 15.555 -5.294 0.875 1.00 23.24 H new ATOM 215 N LYS A 15 15.363 -6.884 3.869 1.00 74.50 N ATOM 216 CA LYS A 15 14.162 -7.434 4.488 1.00 4.14 C ATOM 217 C LYS A 15 12.964 -6.519 4.258 1.00 74.33 C ATOM 218 O LYS A 15 13.113 -5.303 4.136 1.00 72.33 O ATOM 219 CB LYS A 15 14.384 -7.633 5.989 1.00 31.15 C ATOM 220 CG LYS A 15 13.135 -8.071 6.736 1.00 44.43 C ATOM 221 CD LYS A 15 12.361 -6.879 7.273 1.00 55.11 C ATOM 222 CE LYS A 15 12.722 -6.586 8.721 1.00 34.21 C ATOM 223 NZ LYS A 15 12.062 -7.536 9.660 1.00 41.41 N ATOM 0 H LYS A 15 15.958 -6.351 4.503 1.00 74.50 H new ATOM 0 HA LYS A 15 13.954 -8.399 4.026 1.00 4.14 H new ATOM 0 HB2 LYS A 15 15.166 -8.378 6.137 1.00 31.15 H new ATOM 0 HB3 LYS A 15 14.747 -6.700 6.421 1.00 31.15 H new ATOM 0 HG2 LYS A 15 12.496 -8.651 6.070 1.00 44.43 H new ATOM 0 HG3 LYS A 15 13.414 -8.727 7.561 1.00 44.43 H new ATOM 0 HD2 LYS A 15 12.570 -6.002 6.660 1.00 55.11 H new ATOM 0 HD3 LYS A 15 11.291 -7.074 7.196 1.00 55.11 H new ATOM 0 HE2 LYS A 15 13.803 -6.645 8.845 1.00 34.21 H new ATOM 0 HE3 LYS A 15 12.428 -5.566 8.970 1.00 34.21 H new ATOM 0 HZ1 LYS A 15 12.333 -7.303 10.637 1.00 41.41 H new ATOM 0 HZ2 LYS A 15 11.029 -7.462 9.560 1.00 41.41 H new ATOM 0 HZ3 LYS A 15 12.362 -8.507 9.439 1.00 41.41 H new ATOM 237 N TYR A 16 11.776 -7.112 4.200 1.00 1.43 N ATOM 238 CA TYR A 16 10.552 -6.350 3.983 1.00 12.25 C ATOM 239 C TYR A 16 9.320 -7.215 4.232 1.00 24.43 C ATOM 240 O TYR A 16 9.433 -8.393 4.572 1.00 34.42 O ATOM 241 CB TYR A 16 10.518 -5.793 2.559 1.00 22.12 C ATOM 242 CG TYR A 16 10.221 -6.838 1.507 1.00 11.15 C ATOM 243 CD1 TYR A 16 11.144 -7.833 1.208 1.00 13.14 C ATOM 244 CD2 TYR A 16 9.018 -6.830 0.812 1.00 1.12 C ATOM 245 CE1 TYR A 16 10.877 -8.789 0.248 1.00 71.22 C ATOM 246 CE2 TYR A 16 8.742 -7.783 -0.149 1.00 22.02 C ATOM 247 CZ TYR A 16 9.675 -8.760 -0.428 1.00 34.44 C ATOM 248 OH TYR A 16 9.404 -9.711 -1.385 1.00 41.22 O ATOM 0 H TYR A 16 11.635 -8.117 4.300 1.00 1.43 H new ATOM 0 HA TYR A 16 10.541 -5.521 4.691 1.00 12.25 H new ATOM 0 HB2 TYR A 16 9.764 -5.008 2.503 1.00 22.12 H new ATOM 0 HB3 TYR A 16 11.479 -5.328 2.337 1.00 22.12 H new ATOM 0 HD1 TYR A 16 12.086 -7.859 1.735 1.00 13.14 H new ATOM 0 HD2 TYR A 16 8.286 -6.065 1.027 1.00 1.12 H new ATOM 0 HE1 TYR A 16 11.605 -9.555 0.028 1.00 71.22 H new ATOM 0 HE2 TYR A 16 7.801 -7.763 -0.679 1.00 22.02 H new ATOM 0 HH TYR A 16 8.515 -9.549 -1.765 1.00 41.22 H new ATOM 258 N LYS A 17 8.144 -6.622 4.060 1.00 71.31 N ATOM 259 CA LYS A 17 6.889 -7.337 4.263 1.00 3.21 C ATOM 260 C LYS A 17 6.198 -7.611 2.932 1.00 55.15 C ATOM 261 O LYS A 17 6.355 -6.856 1.973 1.00 72.10 O ATOM 262 CB LYS A 17 5.962 -6.531 5.175 1.00 34.14 C ATOM 263 CG LYS A 17 5.601 -5.164 4.621 1.00 15.21 C ATOM 264 CD LYS A 17 5.525 -4.118 5.721 1.00 24.20 C ATOM 265 CE LYS A 17 6.180 -2.813 5.295 1.00 52.01 C ATOM 266 NZ LYS A 17 7.625 -2.775 5.652 1.00 40.30 N ATOM 0 H LYS A 17 8.033 -5.647 3.780 1.00 71.31 H new ATOM 0 HA LYS A 17 7.116 -8.292 4.738 1.00 3.21 H new ATOM 0 HB2 LYS A 17 5.047 -7.099 5.342 1.00 34.14 H new ATOM 0 HB3 LYS A 17 6.441 -6.405 6.146 1.00 34.14 H new ATOM 0 HG2 LYS A 17 6.343 -4.863 3.882 1.00 15.21 H new ATOM 0 HG3 LYS A 17 4.642 -5.221 4.105 1.00 15.21 H new ATOM 0 HD2 LYS A 17 4.482 -3.935 5.980 1.00 24.20 H new ATOM 0 HD3 LYS A 17 6.014 -4.496 6.619 1.00 24.20 H new ATOM 0 HE2 LYS A 17 6.069 -2.685 4.218 1.00 52.01 H new ATOM 0 HE3 LYS A 17 5.667 -1.977 5.770 1.00 52.01 H new ATOM 0 HZ1 LYS A 17 7.949 -1.787 5.682 1.00 40.30 H new ATOM 0 HZ2 LYS A 17 7.764 -3.214 6.585 1.00 40.30 H new ATOM 0 HZ3 LYS A 17 8.173 -3.298 4.939 1.00 40.30 H new ATOM 280 N ASN A 18 5.430 -8.695 2.881 1.00 64.14 N ATOM 281 CA ASN A 18 4.714 -9.068 1.666 1.00 13.23 C ATOM 282 C ASN A 18 3.213 -9.154 1.925 1.00 14.43 C ATOM 283 O ASN A 18 2.445 -8.304 1.474 1.00 52.23 O ATOM 284 CB ASN A 18 5.228 -10.408 1.136 1.00 5.43 C ATOM 285 CG ASN A 18 5.692 -11.329 2.248 1.00 61.43 C ATOM 286 OD1 ASN A 18 4.960 -12.222 2.675 1.00 14.44 O ATOM 287 ND2 ASN A 18 6.914 -11.117 2.721 1.00 5.11 N ATOM 0 H ASN A 18 5.288 -9.330 3.666 1.00 64.14 H new ATOM 0 HA ASN A 18 4.893 -8.296 0.917 1.00 13.23 H new ATOM 0 HB2 ASN A 18 4.438 -10.898 0.568 1.00 5.43 H new ATOM 0 HB3 ASN A 18 6.053 -10.231 0.446 1.00 5.43 H new ATOM 0 HD21 ASN A 18 7.281 -11.706 3.468 1.00 5.11 H new ATOM 0 HD22 ASN A 18 7.486 -10.365 2.337 1.00 5.11 H new ATOM 294 N ASP A 19 2.802 -10.185 2.655 1.00 11.33 N ATOM 295 CA ASP A 19 1.393 -10.381 2.976 1.00 30.24 C ATOM 296 C ASP A 19 0.930 -9.377 4.027 1.00 52.42 C ATOM 297 O ASP A 19 0.226 -8.416 3.714 1.00 65.41 O ATOM 298 CB ASP A 19 1.156 -11.807 3.477 1.00 41.11 C ATOM 299 CG ASP A 19 -0.154 -11.947 4.227 1.00 72.15 C ATOM 300 OD1 ASP A 19 -1.213 -12.003 3.566 1.00 0.21 O ATOM 301 OD2 ASP A 19 -0.121 -12.002 5.473 1.00 20.05 O ATOM 0 H ASP A 19 3.424 -10.898 3.036 1.00 11.33 H new ATOM 0 HA ASP A 19 0.813 -10.222 2.067 1.00 30.24 H new ATOM 0 HB2 ASP A 19 1.161 -12.492 2.629 1.00 41.11 H new ATOM 0 HB3 ASP A 19 1.978 -12.101 4.130 1.00 41.11 H new ATOM 306 N ALA A 20 1.328 -9.606 5.274 1.00 43.33 N ATOM 307 CA ALA A 20 0.955 -8.720 6.370 1.00 71.41 C ATOM 308 C ALA A 20 2.092 -8.584 7.377 1.00 51.11 C ATOM 309 O ALA A 20 1.948 -8.948 8.543 1.00 24.51 O ATOM 310 CB ALA A 20 -0.302 -9.232 7.057 1.00 75.42 C ATOM 0 H ALA A 20 1.909 -10.398 5.551 1.00 43.33 H new ATOM 0 HA ALA A 20 0.753 -7.733 5.954 1.00 71.41 H new ATOM 0 HB1 ALA A 20 -0.569 -8.561 7.873 1.00 75.42 H new ATOM 0 HB2 ALA A 20 -1.120 -9.272 6.337 1.00 75.42 H new ATOM 0 HB3 ALA A 20 -0.119 -10.231 7.453 1.00 75.42 H new ATOM 316 N GLY A 21 3.223 -8.056 6.918 1.00 71.51 N ATOM 317 CA GLY A 21 4.368 -7.882 7.792 1.00 64.23 C ATOM 318 C GLY A 21 5.319 -9.062 7.744 1.00 40.13 C ATOM 319 O GLY A 21 6.268 -9.137 8.524 1.00 1.35 O ATOM 0 H GLY A 21 3.366 -7.746 5.957 1.00 71.51 H new ATOM 0 HA2 GLY A 21 4.903 -6.976 7.508 1.00 64.23 H new ATOM 0 HA3 GLY A 21 4.022 -7.740 8.816 1.00 64.23 H new ATOM 323 N LYS A 22 5.064 -9.988 6.826 1.00 62.03 N ATOM 324 CA LYS A 22 5.904 -11.171 6.678 1.00 33.01 C ATOM 325 C LYS A 22 7.350 -10.780 6.391 1.00 12.34 C ATOM 326 O LYS A 22 7.699 -10.441 5.260 1.00 33.52 O ATOM 327 CB LYS A 22 5.372 -12.061 5.553 1.00 64.45 C ATOM 328 CG LYS A 22 4.650 -13.302 6.048 1.00 31.11 C ATOM 329 CD LYS A 22 5.627 -14.362 6.528 1.00 21.04 C ATOM 330 CE LYS A 22 6.204 -15.156 5.366 1.00 35.23 C ATOM 331 NZ LYS A 22 5.836 -16.597 5.443 1.00 71.22 N ATOM 0 H LYS A 22 4.282 -9.942 6.173 1.00 62.03 H new ATOM 0 HA LYS A 22 5.876 -11.725 7.616 1.00 33.01 H new ATOM 0 HB2 LYS A 22 4.692 -11.479 4.932 1.00 64.45 H new ATOM 0 HB3 LYS A 22 6.204 -12.364 4.917 1.00 64.45 H new ATOM 0 HG2 LYS A 22 3.976 -13.032 6.861 1.00 31.11 H new ATOM 0 HG3 LYS A 22 4.034 -13.710 5.246 1.00 31.11 H new ATOM 0 HD2 LYS A 22 6.436 -13.888 7.083 1.00 21.04 H new ATOM 0 HD3 LYS A 22 5.122 -15.039 7.217 1.00 21.04 H new ATOM 0 HE2 LYS A 22 5.843 -14.739 4.426 1.00 35.23 H new ATOM 0 HE3 LYS A 22 7.290 -15.058 5.362 1.00 35.23 H new ATOM 0 HZ1 LYS A 22 6.248 -17.104 4.634 1.00 71.22 H new ATOM 0 HZ2 LYS A 22 6.202 -17.002 6.328 1.00 71.22 H new ATOM 0 HZ3 LYS A 22 4.801 -16.693 5.421 1.00 71.22 H new ATOM 345 N ASP A 23 8.187 -10.829 7.422 1.00 73.31 N ATOM 346 CA ASP A 23 9.596 -10.482 7.280 1.00 70.43 C ATOM 347 C ASP A 23 10.301 -11.451 6.335 1.00 4.24 C ATOM 348 O ASP A 23 10.794 -12.498 6.756 1.00 35.51 O ATOM 349 CB ASP A 23 10.285 -10.489 8.645 1.00 20.12 C ATOM 350 CG ASP A 23 10.076 -11.791 9.393 1.00 71.31 C ATOM 351 OD1 ASP A 23 11.059 -12.542 9.564 1.00 61.44 O ATOM 352 OD2 ASP A 23 8.929 -12.059 9.808 1.00 2.11 O ATOM 0 H ASP A 23 7.914 -11.106 8.365 1.00 73.31 H new ATOM 0 HA ASP A 23 9.657 -9.480 6.856 1.00 70.43 H new ATOM 0 HB2 ASP A 23 11.353 -10.318 8.510 1.00 20.12 H new ATOM 0 HB3 ASP A 23 9.903 -9.663 9.245 1.00 20.12 H new ATOM 357 N THR A 24 10.346 -11.094 5.055 1.00 24.34 N ATOM 358 CA THR A 24 10.989 -11.932 4.051 1.00 41.02 C ATOM 359 C THR A 24 12.274 -11.290 3.540 1.00 70.20 C ATOM 360 O THR A 24 12.254 -10.189 2.990 1.00 55.03 O ATOM 361 CB THR A 24 10.052 -12.198 2.858 1.00 52.43 C ATOM 362 OG1 THR A 24 8.895 -12.919 3.295 1.00 54.12 O ATOM 363 CG2 THR A 24 10.768 -12.987 1.772 1.00 32.34 C ATOM 0 H THR A 24 9.945 -10.230 4.690 1.00 24.34 H new ATOM 0 HA THR A 24 11.227 -12.879 4.535 1.00 41.02 H new ATOM 0 HB THR A 24 9.746 -11.237 2.444 1.00 52.43 H new ATOM 0 HG1 THR A 24 8.384 -13.221 2.515 1.00 54.12 H new ATOM 0 HG21 THR A 24 10.086 -13.163 0.940 1.00 32.34 H new ATOM 0 HG22 THR A 24 11.631 -12.422 1.421 1.00 32.34 H new ATOM 0 HG23 THR A 24 11.101 -13.943 2.176 1.00 32.34 H new ATOM 371 N PHE A 25 13.391 -11.986 3.725 1.00 42.53 N ATOM 372 CA PHE A 25 14.687 -11.483 3.282 1.00 14.34 C ATOM 373 C PHE A 25 14.907 -11.775 1.801 1.00 33.51 C ATOM 374 O PHE A 25 14.651 -12.885 1.332 1.00 21.13 O ATOM 375 CB PHE A 25 15.810 -12.109 4.110 1.00 25.42 C ATOM 376 CG PHE A 25 15.480 -12.238 5.570 1.00 72.34 C ATOM 377 CD1 PHE A 25 15.762 -13.408 6.257 1.00 42.21 C ATOM 378 CD2 PHE A 25 14.886 -11.190 6.254 1.00 31.11 C ATOM 379 CE1 PHE A 25 15.459 -13.530 7.600 1.00 5.41 C ATOM 380 CE2 PHE A 25 14.581 -11.306 7.597 1.00 3.02 C ATOM 381 CZ PHE A 25 14.867 -12.477 8.271 1.00 63.53 C ATOM 0 H PHE A 25 13.425 -12.899 4.178 1.00 42.53 H new ATOM 0 HA PHE A 25 14.698 -10.403 3.426 1.00 14.34 H new ATOM 0 HB2 PHE A 25 16.039 -13.096 3.709 1.00 25.42 H new ATOM 0 HB3 PHE A 25 16.711 -11.505 4.002 1.00 25.42 H new ATOM 0 HD1 PHE A 25 16.224 -14.234 5.737 1.00 42.21 H new ATOM 0 HD2 PHE A 25 14.659 -10.272 5.732 1.00 31.11 H new ATOM 0 HE1 PHE A 25 15.685 -14.447 8.124 1.00 5.41 H new ATOM 0 HE2 PHE A 25 14.119 -10.481 8.119 1.00 3.02 H new ATOM 0 HZ PHE A 25 14.628 -12.570 9.320 1.00 63.53 H new ATOM 391 N ILE A 26 15.382 -10.773 1.070 1.00 15.42 N ATOM 392 CA ILE A 26 15.636 -10.922 -0.357 1.00 65.11 C ATOM 393 C ILE A 26 16.812 -10.057 -0.799 1.00 71.12 C ATOM 394 O ILE A 26 16.920 -8.893 -0.414 1.00 0.31 O ATOM 395 CB ILE A 26 14.397 -10.550 -1.192 1.00 61.24 C ATOM 396 CG1 ILE A 26 14.427 -11.275 -2.539 1.00 74.24 C ATOM 397 CG2 ILE A 26 14.329 -9.044 -1.397 1.00 34.24 C ATOM 398 CD1 ILE A 26 15.102 -10.484 -3.637 1.00 44.50 C ATOM 0 H ILE A 26 15.599 -9.849 1.443 1.00 15.42 H new ATOM 0 HA ILE A 26 15.876 -11.972 -0.527 1.00 65.11 H new ATOM 0 HB ILE A 26 13.505 -10.864 -0.651 1.00 61.24 H new ATOM 0 HG12 ILE A 26 14.944 -12.227 -2.418 1.00 74.24 H new ATOM 0 HG13 ILE A 26 13.405 -11.503 -2.842 1.00 74.24 H new ATOM 0 HG21 ILE A 26 13.448 -8.797 -1.989 1.00 34.24 H new ATOM 0 HG22 ILE A 26 14.267 -8.547 -0.429 1.00 34.24 H new ATOM 0 HG23 ILE A 26 15.224 -8.707 -1.920 1.00 34.24 H new ATOM 0 HD11 ILE A 26 15.086 -11.060 -4.562 1.00 44.50 H new ATOM 0 HD12 ILE A 26 14.572 -9.543 -3.786 1.00 44.50 H new ATOM 0 HD13 ILE A 26 16.135 -10.278 -3.355 1.00 44.50 H new ATOM 410 N LYS A 27 17.691 -10.633 -1.612 1.00 73.42 N ATOM 411 CA LYS A 27 18.858 -9.916 -2.111 1.00 13.41 C ATOM 412 C LYS A 27 18.439 -8.699 -2.930 1.00 0.21 C ATOM 413 O LYS A 27 17.279 -8.288 -2.901 1.00 54.24 O ATOM 414 CB LYS A 27 19.727 -10.843 -2.963 1.00 53.04 C ATOM 415 CG LYS A 27 19.088 -11.229 -4.286 1.00 42.24 C ATOM 416 CD LYS A 27 19.956 -12.208 -5.060 1.00 13.32 C ATOM 417 CE LYS A 27 19.905 -13.600 -4.449 1.00 41.13 C ATOM 418 NZ LYS A 27 21.267 -14.135 -4.175 1.00 64.45 N ATOM 0 H LYS A 27 17.617 -11.596 -1.940 1.00 73.42 H new ATOM 0 HA LYS A 27 19.437 -9.573 -1.253 1.00 13.41 H new ATOM 0 HB2 LYS A 27 20.681 -10.354 -3.159 1.00 53.04 H new ATOM 0 HB3 LYS A 27 19.943 -11.748 -2.395 1.00 53.04 H new ATOM 0 HG2 LYS A 27 18.110 -11.675 -4.103 1.00 42.24 H new ATOM 0 HG3 LYS A 27 18.923 -10.334 -4.886 1.00 42.24 H new ATOM 0 HD2 LYS A 27 19.622 -12.252 -6.097 1.00 13.32 H new ATOM 0 HD3 LYS A 27 20.986 -11.852 -5.072 1.00 13.32 H new ATOM 0 HE2 LYS A 27 19.334 -13.569 -3.521 1.00 41.13 H new ATOM 0 HE3 LYS A 27 19.379 -14.274 -5.125 1.00 41.13 H new ATOM 0 HZ1 LYS A 27 21.190 -15.085 -3.759 1.00 64.45 H new ATOM 0 HZ2 LYS A 27 21.804 -14.189 -5.064 1.00 64.45 H new ATOM 0 HZ3 LYS A 27 21.760 -13.505 -3.510 1.00 64.45 H new ATOM 432 N CYS A 28 19.391 -8.127 -3.660 1.00 75.14 N ATOM 433 CA CYS A 28 19.121 -6.958 -4.489 1.00 31.04 C ATOM 434 C CYS A 28 19.142 -7.324 -5.970 1.00 20.31 C ATOM 435 O CYS A 28 20.164 -7.215 -6.647 1.00 62.24 O ATOM 436 CB CYS A 28 20.149 -5.860 -4.209 1.00 24.53 C ATOM 437 SG CYS A 28 19.496 -4.168 -4.377 1.00 74.50 S ATOM 0 H CYS A 28 20.357 -8.454 -3.694 1.00 75.14 H new ATOM 0 HA CYS A 28 18.127 -6.588 -4.239 1.00 31.04 H new ATOM 0 HB2 CYS A 28 20.537 -5.989 -3.199 1.00 24.53 H new ATOM 0 HB3 CYS A 28 20.990 -5.983 -4.891 1.00 24.53 H new ATOM 442 N PRO A 29 17.987 -7.769 -6.486 1.00 34.22 N ATOM 443 CA PRO A 29 17.846 -8.160 -7.892 1.00 12.23 C ATOM 444 C PRO A 29 17.920 -6.965 -8.836 1.00 4.53 C ATOM 445 O PRO A 29 18.144 -7.121 -10.036 1.00 61.12 O ATOM 446 CB PRO A 29 16.455 -8.797 -7.945 1.00 63.41 C ATOM 447 CG PRO A 29 15.710 -8.177 -6.814 1.00 23.11 C ATOM 448 CD PRO A 29 16.729 -7.925 -5.737 1.00 15.35 C ATOM 0 HA PRO A 29 18.648 -8.826 -8.212 1.00 12.23 H new ATOM 0 HB2 PRO A 29 15.965 -8.598 -8.898 1.00 63.41 H new ATOM 0 HB3 PRO A 29 16.511 -9.880 -7.835 1.00 63.41 H new ATOM 0 HG2 PRO A 29 15.232 -7.248 -7.124 1.00 23.11 H new ATOM 0 HG3 PRO A 29 14.920 -8.838 -6.457 1.00 23.11 H new ATOM 0 HD2 PRO A 29 16.491 -7.031 -5.160 1.00 15.35 H new ATOM 0 HD3 PRO A 29 16.782 -8.754 -5.032 1.00 15.35 H new ATOM 456 N LYS A 30 17.732 -5.770 -8.286 1.00 0.31 N ATOM 457 CA LYS A 30 17.780 -4.546 -9.078 1.00 34.41 C ATOM 458 C LYS A 30 19.162 -4.350 -9.692 1.00 54.55 C ATOM 459 O LYS A 30 19.321 -4.392 -10.913 1.00 2.44 O ATOM 460 CB LYS A 30 17.419 -3.338 -8.210 1.00 73.44 C ATOM 461 CG LYS A 30 16.099 -2.689 -8.590 1.00 61.33 C ATOM 462 CD LYS A 30 16.119 -2.182 -10.023 1.00 20.24 C ATOM 463 CE LYS A 30 15.122 -1.052 -10.227 1.00 44.45 C ATOM 464 NZ LYS A 30 15.607 0.228 -9.640 1.00 51.22 N ATOM 0 H LYS A 30 17.545 -5.623 -7.294 1.00 0.31 H new ATOM 0 HA LYS A 30 17.053 -4.636 -9.885 1.00 34.41 H new ATOM 0 HB2 LYS A 30 17.373 -3.651 -7.167 1.00 73.44 H new ATOM 0 HB3 LYS A 30 18.214 -2.596 -8.286 1.00 73.44 H new ATOM 0 HG2 LYS A 30 15.290 -3.410 -8.469 1.00 61.33 H new ATOM 0 HG3 LYS A 30 15.892 -1.860 -7.913 1.00 61.33 H new ATOM 0 HD2 LYS A 30 17.121 -1.834 -10.273 1.00 20.24 H new ATOM 0 HD3 LYS A 30 15.887 -3.001 -10.703 1.00 20.24 H new ATOM 0 HE2 LYS A 30 14.940 -0.917 -11.293 1.00 44.45 H new ATOM 0 HE3 LYS A 30 14.169 -1.322 -9.772 1.00 44.45 H new ATOM 0 HZ1 LYS A 30 14.977 1.003 -9.929 1.00 51.22 H new ATOM 0 HZ2 LYS A 30 15.612 0.154 -8.603 1.00 51.22 H new ATOM 0 HZ3 LYS A 30 16.571 0.421 -9.978 1.00 51.22 H new ATOM 478 N PHE A 31 20.158 -4.136 -8.840 1.00 4.21 N ATOM 479 CA PHE A 31 21.527 -3.933 -9.300 1.00 24.14 C ATOM 480 C PHE A 31 22.399 -5.139 -8.962 1.00 32.25 C ATOM 481 O PHE A 31 21.988 -6.025 -8.211 1.00 50.42 O ATOM 482 CB PHE A 31 22.118 -2.670 -8.669 1.00 31.21 C ATOM 483 CG PHE A 31 21.079 -1.702 -8.181 1.00 13.30 C ATOM 484 CD1 PHE A 31 20.647 -0.662 -8.989 1.00 64.43 C ATOM 485 CD2 PHE A 31 20.534 -1.830 -6.914 1.00 34.44 C ATOM 486 CE1 PHE A 31 19.691 0.230 -8.543 1.00 40.55 C ATOM 487 CE2 PHE A 31 19.577 -0.941 -6.463 1.00 33.04 C ATOM 488 CZ PHE A 31 19.156 0.091 -7.278 1.00 12.41 C ATOM 0 H PHE A 31 20.043 -4.099 -7.827 1.00 4.21 H new ATOM 0 HA PHE A 31 21.506 -3.814 -10.383 1.00 24.14 H new ATOM 0 HB2 PHE A 31 22.758 -2.956 -7.834 1.00 31.21 H new ATOM 0 HB3 PHE A 31 22.753 -2.171 -9.401 1.00 31.21 H new ATOM 0 HD1 PHE A 31 21.063 -0.548 -9.979 1.00 64.43 H new ATOM 0 HD2 PHE A 31 20.861 -2.634 -6.271 1.00 34.44 H new ATOM 0 HE1 PHE A 31 19.363 1.035 -9.183 1.00 40.55 H new ATOM 0 HE2 PHE A 31 19.159 -1.053 -5.474 1.00 33.04 H new ATOM 0 HZ PHE A 31 18.410 0.788 -6.927 1.00 12.41 H new ATOM 498 N ASP A 32 23.603 -5.166 -9.521 1.00 63.40 N ATOM 499 CA ASP A 32 24.534 -6.263 -9.279 1.00 40.24 C ATOM 500 C ASP A 32 25.784 -5.766 -8.559 1.00 74.11 C ATOM 501 O ASP A 32 26.463 -6.531 -7.876 1.00 45.22 O ATOM 502 CB ASP A 32 24.923 -6.930 -10.599 1.00 74.45 C ATOM 503 CG ASP A 32 24.993 -8.441 -10.486 1.00 14.41 C ATOM 504 OD1 ASP A 32 23.946 -9.064 -10.211 1.00 20.34 O ATOM 505 OD2 ASP A 32 26.094 -8.999 -10.673 1.00 54.23 O ATOM 0 H ASP A 32 23.958 -4.441 -10.145 1.00 63.40 H new ATOM 0 HA ASP A 32 24.037 -6.995 -8.643 1.00 40.24 H new ATOM 0 HB2 ASP A 32 24.198 -6.659 -11.367 1.00 74.45 H new ATOM 0 HB3 ASP A 32 25.890 -6.548 -10.925 1.00 74.45 H new ATOM 510 N ASN A 33 26.080 -4.480 -8.718 1.00 23.22 N ATOM 511 CA ASN A 33 27.249 -3.882 -8.084 1.00 3.41 C ATOM 512 C ASN A 33 26.840 -2.747 -7.150 1.00 3.31 C ATOM 513 O ASN A 33 27.663 -2.212 -6.406 1.00 63.32 O ATOM 514 CB ASN A 33 28.219 -3.359 -9.145 1.00 64.03 C ATOM 515 CG ASN A 33 29.511 -4.153 -9.189 1.00 51.31 C ATOM 516 OD1 ASN A 33 29.892 -4.683 -10.233 1.00 14.10 O ATOM 517 ND2 ASN A 33 30.192 -4.238 -8.052 1.00 75.11 N ATOM 0 H ASN A 33 25.527 -3.833 -9.280 1.00 23.22 H new ATOM 0 HA ASN A 33 27.746 -4.653 -7.495 1.00 3.41 H new ATOM 0 HB2 ASN A 33 27.739 -3.397 -10.123 1.00 64.03 H new ATOM 0 HB3 ASN A 33 28.446 -2.312 -8.942 1.00 64.03 H new ATOM 0 HD21 ASN A 33 31.069 -4.759 -8.020 1.00 75.11 H new ATOM 0 HD22 ASN A 33 29.838 -3.783 -7.211 1.00 75.11 H new ATOM 524 N LYS A 34 25.563 -2.383 -7.193 1.00 70.52 N ATOM 525 CA LYS A 34 25.042 -1.314 -6.350 1.00 42.34 C ATOM 526 C LYS A 34 24.093 -1.868 -5.293 1.00 11.54 C ATOM 527 O LYS A 34 23.323 -1.124 -4.684 1.00 74.34 O ATOM 528 CB LYS A 34 24.318 -0.270 -7.204 1.00 64.23 C ATOM 529 CG LYS A 34 25.122 0.196 -8.406 1.00 20.01 C ATOM 530 CD LYS A 34 26.325 1.023 -7.985 1.00 50.41 C ATOM 531 CE LYS A 34 26.183 2.474 -8.420 1.00 2.13 C ATOM 532 NZ LYS A 34 27.096 3.372 -7.660 1.00 42.42 N ATOM 0 H LYS A 34 24.869 -2.814 -7.804 1.00 70.52 H new ATOM 0 HA LYS A 34 25.884 -0.841 -5.845 1.00 42.34 H new ATOM 0 HB2 LYS A 34 23.373 -0.688 -7.550 1.00 64.23 H new ATOM 0 HB3 LYS A 34 24.077 0.592 -6.582 1.00 64.23 H new ATOM 0 HG2 LYS A 34 25.456 -0.669 -8.979 1.00 20.01 H new ATOM 0 HG3 LYS A 34 24.485 0.787 -9.064 1.00 20.01 H new ATOM 0 HD2 LYS A 34 26.439 0.976 -6.902 1.00 50.41 H new ATOM 0 HD3 LYS A 34 27.230 0.598 -8.420 1.00 50.41 H new ATOM 0 HE2 LYS A 34 26.397 2.556 -9.486 1.00 2.13 H new ATOM 0 HE3 LYS A 34 25.152 2.797 -8.276 1.00 2.13 H new ATOM 0 HZ1 LYS A 34 26.969 4.352 -7.985 1.00 42.42 H new ATOM 0 HZ2 LYS A 34 26.876 3.313 -6.645 1.00 42.42 H new ATOM 0 HZ3 LYS A 34 28.081 3.079 -7.818 1.00 42.42 H new ATOM 546 N LYS A 35 24.154 -3.177 -5.077 1.00 22.13 N ATOM 547 CA LYS A 35 23.303 -3.831 -4.090 1.00 75.24 C ATOM 548 C LYS A 35 23.503 -3.220 -2.707 1.00 44.03 C ATOM 549 O LYS A 35 24.284 -2.283 -2.539 1.00 4.01 O ATOM 550 CB LYS A 35 23.600 -5.332 -4.045 1.00 13.34 C ATOM 551 CG LYS A 35 24.886 -5.675 -3.313 1.00 34.02 C ATOM 552 CD LYS A 35 25.772 -6.590 -4.142 1.00 35.04 C ATOM 553 CE LYS A 35 27.242 -6.237 -3.981 1.00 23.22 C ATOM 554 NZ LYS A 35 28.120 -7.143 -4.773 1.00 32.14 N ATOM 0 H LYS A 35 24.785 -3.807 -5.573 1.00 22.13 H new ATOM 0 HA LYS A 35 22.265 -3.681 -4.386 1.00 75.24 H new ATOM 0 HB2 LYS A 35 22.768 -5.844 -3.561 1.00 13.34 H new ATOM 0 HB3 LYS A 35 23.659 -5.713 -5.065 1.00 13.34 H new ATOM 0 HG2 LYS A 35 25.427 -4.759 -3.077 1.00 34.02 H new ATOM 0 HG3 LYS A 35 24.649 -6.158 -2.365 1.00 34.02 H new ATOM 0 HD2 LYS A 35 25.610 -7.625 -3.841 1.00 35.04 H new ATOM 0 HD3 LYS A 35 25.492 -6.516 -5.193 1.00 35.04 H new ATOM 0 HE2 LYS A 35 27.405 -5.206 -4.297 1.00 23.22 H new ATOM 0 HE3 LYS A 35 27.516 -6.295 -2.928 1.00 23.22 H new ATOM 0 HZ1 LYS A 35 29.114 -6.870 -4.637 1.00 32.14 H new ATOM 0 HZ2 LYS A 35 27.984 -8.124 -4.455 1.00 32.14 H new ATOM 0 HZ3 LYS A 35 27.876 -7.069 -5.781 1.00 32.14 H new ATOM 568 N CYS A 36 22.795 -3.757 -1.720 1.00 11.14 N ATOM 569 CA CYS A 36 22.896 -3.266 -0.351 1.00 12.42 C ATOM 570 C CYS A 36 24.273 -3.566 0.235 1.00 54.42 C ATOM 571 O CYS A 36 24.647 -4.726 0.408 1.00 43.11 O ATOM 572 CB CYS A 36 21.810 -3.898 0.522 1.00 74.04 C ATOM 573 SG CYS A 36 20.273 -2.925 0.618 1.00 52.42 S ATOM 0 H CYS A 36 22.144 -4.533 -1.843 1.00 11.14 H new ATOM 0 HA CYS A 36 22.755 -2.185 -0.369 1.00 12.42 H new ATOM 0 HB2 CYS A 36 21.576 -4.889 0.132 1.00 74.04 H new ATOM 0 HB3 CYS A 36 22.203 -4.036 1.529 1.00 74.04 H new ATOM 578 N THR A 37 25.023 -2.511 0.539 1.00 60.13 N ATOM 579 CA THR A 37 26.358 -2.660 1.104 1.00 61.42 C ATOM 580 C THR A 37 26.483 -1.909 2.424 1.00 24.23 C ATOM 581 O THR A 37 27.443 -1.169 2.641 1.00 21.12 O ATOM 582 CB THR A 37 27.440 -2.151 0.132 1.00 35.42 C ATOM 583 OG1 THR A 37 28.734 -2.275 0.732 1.00 41.13 O ATOM 584 CG2 THR A 37 27.187 -0.700 -0.247 1.00 12.13 C ATOM 0 H THR A 37 24.728 -1.544 0.403 1.00 60.13 H new ATOM 0 HA THR A 37 26.510 -3.725 1.279 1.00 61.42 H new ATOM 0 HB THR A 37 27.400 -2.758 -0.773 1.00 35.42 H new ATOM 0 HG1 THR A 37 28.785 -1.696 1.521 1.00 41.13 H new ATOM 0 HG21 THR A 37 27.963 -0.363 -0.934 1.00 12.13 H new ATOM 0 HG22 THR A 37 26.213 -0.614 -0.730 1.00 12.13 H new ATOM 0 HG23 THR A 37 27.203 -0.082 0.650 1.00 12.13 H new ATOM 592 N LYS A 38 25.508 -2.104 3.305 1.00 21.34 N ATOM 593 CA LYS A 38 25.509 -1.447 4.607 1.00 44.11 C ATOM 594 C LYS A 38 24.600 -2.181 5.588 1.00 45.41 C ATOM 595 O LYS A 38 23.632 -2.826 5.187 1.00 33.23 O ATOM 596 CB LYS A 38 25.057 0.008 4.467 1.00 40.33 C ATOM 597 CG LYS A 38 26.143 1.017 4.798 1.00 50.45 C ATOM 598 CD LYS A 38 26.165 1.347 6.281 1.00 71.13 C ATOM 599 CE LYS A 38 27.558 1.178 6.869 1.00 55.14 C ATOM 600 NZ LYS A 38 27.540 1.219 8.357 1.00 11.51 N ATOM 0 H LYS A 38 24.706 -2.712 3.141 1.00 21.34 H new ATOM 0 HA LYS A 38 26.527 -1.469 4.996 1.00 44.11 H new ATOM 0 HB2 LYS A 38 24.715 0.177 3.446 1.00 40.33 H new ATOM 0 HB3 LYS A 38 24.202 0.179 5.122 1.00 40.33 H new ATOM 0 HG2 LYS A 38 27.113 0.620 4.498 1.00 50.45 H new ATOM 0 HG3 LYS A 38 25.981 1.929 4.224 1.00 50.45 H new ATOM 0 HD2 LYS A 38 25.827 2.372 6.432 1.00 71.13 H new ATOM 0 HD3 LYS A 38 25.465 0.700 6.809 1.00 71.13 H new ATOM 0 HE2 LYS A 38 27.980 0.229 6.537 1.00 55.14 H new ATOM 0 HE3 LYS A 38 28.210 1.966 6.492 1.00 55.14 H new ATOM 0 HZ1 LYS A 38 28.508 1.100 8.719 1.00 11.51 H new ATOM 0 HZ2 LYS A 38 27.161 2.134 8.675 1.00 11.51 H new ATOM 0 HZ3 LYS A 38 26.939 0.451 8.718 1.00 11.51 H new ATOM 614 N ASP A 39 24.918 -2.076 6.873 1.00 3.14 N ATOM 615 CA ASP A 39 24.129 -2.727 7.912 1.00 74.51 C ATOM 616 C ASP A 39 22.969 -1.839 8.351 1.00 41.41 C ATOM 617 O ASP A 39 23.175 -0.722 8.825 1.00 61.23 O ATOM 618 CB ASP A 39 25.010 -3.068 9.114 1.00 21.25 C ATOM 619 CG ASP A 39 26.077 -4.092 8.779 1.00 74.11 C ATOM 620 OD1 ASP A 39 27.264 -3.828 9.064 1.00 34.24 O ATOM 621 OD2 ASP A 39 25.724 -5.158 8.232 1.00 42.43 O ATOM 0 H ASP A 39 25.717 -1.546 7.221 1.00 3.14 H new ATOM 0 HA ASP A 39 23.720 -3.649 7.498 1.00 74.51 H new ATOM 0 HB2 ASP A 39 25.486 -2.159 9.481 1.00 21.25 H new ATOM 0 HB3 ASP A 39 24.385 -3.450 9.922 1.00 21.25 H new ATOM 626 N ASN A 40 21.750 -2.342 8.189 1.00 72.13 N ATOM 627 CA ASN A 40 20.557 -1.593 8.567 1.00 40.12 C ATOM 628 C ASN A 40 20.419 -0.328 7.724 1.00 21.53 C ATOM 629 O ASN A 40 20.087 0.739 8.238 1.00 31.33 O ATOM 630 CB ASN A 40 20.609 -1.227 10.051 1.00 14.15 C ATOM 631 CG ASN A 40 21.164 -2.351 10.905 1.00 42.40 C ATOM 632 OD1 ASN A 40 20.672 -3.478 10.863 1.00 63.40 O ATOM 633 ND2 ASN A 40 22.195 -2.047 11.685 1.00 13.44 N ATOM 0 H ASN A 40 21.562 -3.265 7.798 1.00 72.13 H new ATOM 0 HA ASN A 40 19.688 -2.226 8.386 1.00 40.12 H new ATOM 0 HB2 ASN A 40 21.225 -0.337 10.182 1.00 14.15 H new ATOM 0 HB3 ASN A 40 19.606 -0.974 10.395 1.00 14.15 H new ATOM 0 HD21 ASN A 40 22.611 -2.762 12.282 1.00 13.44 H new ATOM 0 HD22 ASN A 40 22.571 -1.099 11.687 1.00 13.44 H new ATOM 640 N ASN A 41 20.676 -0.458 6.427 1.00 42.53 N ATOM 641 CA ASN A 41 20.581 0.675 5.512 1.00 33.43 C ATOM 642 C ASN A 41 19.124 0.983 5.179 1.00 62.04 C ATOM 643 O ASN A 41 18.206 0.417 5.773 1.00 41.33 O ATOM 644 CB ASN A 41 21.360 0.386 4.228 1.00 50.44 C ATOM 645 CG ASN A 41 20.839 -0.837 3.498 1.00 44.33 C ATOM 646 OD1 ASN A 41 19.825 -0.774 2.803 1.00 43.45 O ATOM 647 ND2 ASN A 41 21.533 -1.958 3.653 1.00 23.22 N ATOM 0 H ASN A 41 20.951 -1.335 5.985 1.00 42.53 H new ATOM 0 HA ASN A 41 21.015 1.546 6.003 1.00 33.43 H new ATOM 0 HB2 ASN A 41 21.302 1.252 3.568 1.00 50.44 H new ATOM 0 HB3 ASN A 41 22.413 0.240 4.470 1.00 50.44 H new ATOM 0 HD21 ASN A 41 21.231 -2.813 3.186 1.00 23.22 H new ATOM 0 HD22 ASN A 41 22.368 -1.964 4.239 1.00 23.22 H new ATOM 654 N LYS A 42 18.920 1.884 4.223 1.00 32.34 N ATOM 655 CA LYS A 42 17.576 2.267 3.808 1.00 51.23 C ATOM 656 C LYS A 42 17.249 1.697 2.431 1.00 13.12 C ATOM 657 O LYS A 42 17.794 2.139 1.419 1.00 13.13 O ATOM 658 CB LYS A 42 17.442 3.792 3.785 1.00 64.41 C ATOM 659 CG LYS A 42 16.006 4.278 3.872 1.00 21.31 C ATOM 660 CD LYS A 42 15.839 5.333 4.953 1.00 20.50 C ATOM 661 CE LYS A 42 14.518 6.073 4.810 1.00 20.31 C ATOM 662 NZ LYS A 42 14.483 6.913 3.581 1.00 22.01 N ATOM 0 H LYS A 42 19.669 2.362 3.722 1.00 32.34 H new ATOM 0 HA LYS A 42 16.869 1.857 4.529 1.00 51.23 H new ATOM 0 HB2 LYS A 42 18.009 4.211 4.616 1.00 64.41 H new ATOM 0 HB3 LYS A 42 17.891 4.174 2.868 1.00 64.41 H new ATOM 0 HG2 LYS A 42 15.701 4.690 2.910 1.00 21.31 H new ATOM 0 HG3 LYS A 42 15.347 3.435 4.080 1.00 21.31 H new ATOM 0 HD2 LYS A 42 15.889 4.861 5.934 1.00 20.50 H new ATOM 0 HD3 LYS A 42 16.663 6.044 4.899 1.00 20.50 H new ATOM 0 HE2 LYS A 42 13.700 5.353 4.781 1.00 20.31 H new ATOM 0 HE3 LYS A 42 14.358 6.703 5.685 1.00 20.31 H new ATOM 0 HZ1 LYS A 42 13.736 7.631 3.672 1.00 22.01 H new ATOM 0 HZ2 LYS A 42 15.402 7.384 3.456 1.00 22.01 H new ATOM 0 HZ3 LYS A 42 14.287 6.312 2.755 1.00 22.01 H new ATOM 676 N CYS A 43 16.355 0.714 2.400 1.00 13.51 N ATOM 677 CA CYS A 43 15.954 0.084 1.148 1.00 15.32 C ATOM 678 C CYS A 43 14.487 -0.334 1.195 1.00 13.32 C ATOM 679 O CYS A 43 13.987 -0.773 2.231 1.00 30.25 O ATOM 680 CB CYS A 43 16.833 -1.134 0.861 1.00 4.03 C ATOM 681 SG CYS A 43 16.470 -2.578 1.911 1.00 12.43 S ATOM 0 H CYS A 43 15.895 0.337 3.228 1.00 13.51 H new ATOM 0 HA CYS A 43 16.081 0.812 0.347 1.00 15.32 H new ATOM 0 HB2 CYS A 43 16.711 -1.418 -0.184 1.00 4.03 H new ATOM 0 HB3 CYS A 43 17.878 -0.854 0.995 1.00 4.03 H new ATOM 686 N THR A 44 13.801 -0.194 0.065 1.00 54.10 N ATOM 687 CA THR A 44 12.392 -0.556 -0.024 1.00 14.55 C ATOM 688 C THR A 44 12.188 -1.754 -0.944 1.00 3.32 C ATOM 689 O THR A 44 13.145 -2.289 -1.504 1.00 2.51 O ATOM 690 CB THR A 44 11.541 0.622 -0.536 1.00 74.44 C ATOM 691 OG1 THR A 44 12.184 1.239 -1.657 1.00 14.32 O ATOM 692 CG2 THR A 44 11.324 1.652 0.562 1.00 61.31 C ATOM 0 H THR A 44 14.199 0.168 -0.802 1.00 54.10 H new ATOM 0 HA THR A 44 12.069 -0.817 0.984 1.00 14.55 H new ATOM 0 HB THR A 44 10.570 0.234 -0.843 1.00 74.44 H new ATOM 0 HG1 THR A 44 11.760 0.933 -2.486 1.00 14.32 H new ATOM 0 HG21 THR A 44 10.721 2.474 0.176 1.00 61.31 H new ATOM 0 HG22 THR A 44 10.808 1.186 1.401 1.00 61.31 H new ATOM 0 HG23 THR A 44 12.288 2.036 0.897 1.00 61.31 H new ATOM 700 N VAL A 45 10.935 -2.171 -1.097 1.00 4.23 N ATOM 701 CA VAL A 45 10.606 -3.305 -1.951 1.00 62.32 C ATOM 702 C VAL A 45 9.219 -3.148 -2.564 1.00 2.40 C ATOM 703 O VAL A 45 8.295 -2.656 -1.916 1.00 2.22 O ATOM 704 CB VAL A 45 10.662 -4.631 -1.170 1.00 24.42 C ATOM 705 CG1 VAL A 45 10.338 -5.804 -2.083 1.00 15.30 C ATOM 706 CG2 VAL A 45 12.028 -4.811 -0.523 1.00 54.12 C ATOM 0 H VAL A 45 10.131 -1.740 -0.640 1.00 4.23 H new ATOM 0 HA VAL A 45 11.351 -3.328 -2.746 1.00 62.32 H new ATOM 0 HB VAL A 45 9.912 -4.598 -0.380 1.00 24.42 H new ATOM 0 HG11 VAL A 45 10.383 -6.732 -1.513 1.00 15.30 H new ATOM 0 HG12 VAL A 45 9.336 -5.679 -2.495 1.00 15.30 H new ATOM 0 HG13 VAL A 45 11.062 -5.843 -2.897 1.00 15.30 H new ATOM 0 HG21 VAL A 45 12.050 -5.753 0.025 1.00 54.12 H new ATOM 0 HG22 VAL A 45 12.798 -4.822 -1.295 1.00 54.12 H new ATOM 0 HG23 VAL A 45 12.216 -3.987 0.165 1.00 54.12 H new ATOM 716 N ASP A 46 9.081 -3.568 -3.816 1.00 74.33 N ATOM 717 CA ASP A 46 7.805 -3.475 -4.517 1.00 62.54 C ATOM 718 C ASP A 46 7.386 -4.836 -5.065 1.00 71.11 C ATOM 719 O ASP A 46 8.015 -5.371 -5.979 1.00 11.02 O ATOM 720 CB ASP A 46 7.898 -2.460 -5.657 1.00 42.31 C ATOM 721 CG ASP A 46 6.775 -1.442 -5.619 1.00 73.50 C ATOM 722 OD1 ASP A 46 5.632 -1.807 -5.967 1.00 33.04 O ATOM 723 OD2 ASP A 46 7.038 -0.282 -5.241 1.00 22.11 O ATOM 0 H ASP A 46 9.836 -3.976 -4.367 1.00 74.33 H new ATOM 0 HA ASP A 46 7.050 -3.142 -3.804 1.00 62.54 H new ATOM 0 HB2 ASP A 46 8.856 -1.942 -5.601 1.00 42.31 H new ATOM 0 HB3 ASP A 46 7.875 -2.987 -6.611 1.00 42.31 H new ATOM 728 N THR A 47 6.319 -5.393 -4.500 1.00 1.12 N ATOM 729 CA THR A 47 5.817 -6.692 -4.929 1.00 51.23 C ATOM 730 C THR A 47 5.172 -6.604 -6.308 1.00 13.54 C ATOM 731 O THR A 47 4.980 -7.617 -6.980 1.00 45.13 O ATOM 732 CB THR A 47 4.790 -7.256 -3.929 1.00 53.44 C ATOM 733 OG1 THR A 47 4.226 -8.469 -4.439 1.00 33.45 O ATOM 734 CG2 THR A 47 3.682 -6.247 -3.665 1.00 72.24 C ATOM 0 H THR A 47 5.786 -4.964 -3.744 1.00 1.12 H new ATOM 0 HA THR A 47 6.675 -7.363 -4.974 1.00 51.23 H new ATOM 0 HB THR A 47 5.304 -7.461 -2.990 1.00 53.44 H new ATOM 0 HG1 THR A 47 4.456 -8.564 -5.387 1.00 33.45 H new ATOM 0 HG21 THR A 47 2.969 -6.667 -2.956 1.00 72.24 H new ATOM 0 HG22 THR A 47 4.112 -5.335 -3.250 1.00 72.24 H new ATOM 0 HG23 THR A 47 3.171 -6.015 -4.599 1.00 72.24 H new ATOM 742 N TYR A 48 4.839 -5.386 -6.723 1.00 31.52 N ATOM 743 CA TYR A 48 4.213 -5.166 -8.021 1.00 62.44 C ATOM 744 C TYR A 48 5.016 -5.835 -9.133 1.00 73.41 C ATOM 745 O TYR A 48 4.458 -6.519 -9.991 1.00 45.51 O ATOM 746 CB TYR A 48 4.084 -3.668 -8.301 1.00 72.23 C ATOM 747 CG TYR A 48 2.877 -3.311 -9.138 1.00 55.33 C ATOM 748 CD1 TYR A 48 1.902 -2.447 -8.653 1.00 74.44 C ATOM 749 CD2 TYR A 48 2.710 -3.837 -10.413 1.00 50.44 C ATOM 750 CE1 TYR A 48 0.796 -2.118 -9.414 1.00 65.32 C ATOM 751 CE2 TYR A 48 1.609 -3.512 -11.182 1.00 11.02 C ATOM 752 CZ TYR A 48 0.655 -2.653 -10.678 1.00 11.32 C ATOM 753 OH TYR A 48 -0.444 -2.328 -11.440 1.00 12.14 O ATOM 0 H TYR A 48 4.992 -4.537 -6.179 1.00 31.52 H new ATOM 0 HA TYR A 48 3.218 -5.611 -7.997 1.00 62.44 H new ATOM 0 HB2 TYR A 48 4.029 -3.133 -7.353 1.00 72.23 H new ATOM 0 HB3 TYR A 48 4.984 -3.323 -8.810 1.00 72.23 H new ATOM 0 HD1 TYR A 48 2.011 -2.026 -7.665 1.00 74.44 H new ATOM 0 HD2 TYR A 48 3.454 -4.512 -10.810 1.00 50.44 H new ATOM 0 HE1 TYR A 48 0.047 -1.446 -9.022 1.00 65.32 H new ATOM 0 HE2 TYR A 48 1.496 -3.928 -12.172 1.00 11.02 H new ATOM 0 HH TYR A 48 -0.391 -2.788 -12.304 1.00 12.14 H new ATOM 763 N ASN A 49 6.329 -5.633 -9.110 1.00 22.54 N ATOM 764 CA ASN A 49 7.210 -6.217 -10.115 1.00 3.42 C ATOM 765 C ASN A 49 8.598 -6.476 -9.537 1.00 22.10 C ATOM 766 O ASN A 49 9.601 -6.397 -10.245 1.00 61.21 O ATOM 767 CB ASN A 49 7.316 -5.291 -11.329 1.00 31.41 C ATOM 768 CG ASN A 49 7.452 -3.833 -10.935 1.00 22.44 C ATOM 769 OD1 ASN A 49 6.557 -3.025 -11.183 1.00 21.51 O ATOM 770 ND2 ASN A 49 8.576 -3.490 -10.317 1.00 25.41 N ATOM 0 H ASN A 49 6.807 -5.069 -8.407 1.00 22.54 H new ATOM 0 HA ASN A 49 6.783 -7.170 -10.428 1.00 3.42 H new ATOM 0 HB2 ASN A 49 8.176 -5.583 -11.931 1.00 31.41 H new ATOM 0 HB3 ASN A 49 6.432 -5.414 -11.955 1.00 31.41 H new ATOM 0 HD21 ASN A 49 8.724 -2.523 -10.027 1.00 25.41 H new ATOM 0 HD22 ASN A 49 9.291 -4.193 -10.132 1.00 25.41 H new ATOM 777 N ASN A 50 8.647 -6.787 -8.246 1.00 10.34 N ATOM 778 CA ASN A 50 9.912 -7.058 -7.572 1.00 33.20 C ATOM 779 C ASN A 50 10.911 -5.931 -7.816 1.00 33.23 C ATOM 780 O ASN A 50 11.807 -6.052 -8.650 1.00 73.04 O ATOM 781 CB ASN A 50 10.496 -8.387 -8.056 1.00 44.31 C ATOM 782 CG ASN A 50 9.436 -9.458 -8.224 1.00 23.14 C ATOM 783 OD1 ASN A 50 8.749 -9.513 -9.243 1.00 40.15 O ATOM 784 ND2 ASN A 50 9.299 -10.316 -7.220 1.00 21.44 N ATOM 0 H ASN A 50 7.826 -6.858 -7.645 1.00 10.34 H new ATOM 0 HA ASN A 50 9.719 -7.122 -6.501 1.00 33.20 H new ATOM 0 HB2 ASN A 50 11.006 -8.232 -9.007 1.00 44.31 H new ATOM 0 HB3 ASN A 50 11.247 -8.731 -7.345 1.00 44.31 H new ATOM 0 HD21 ASN A 50 8.602 -11.059 -7.275 1.00 21.44 H new ATOM 0 HD22 ASN A 50 9.891 -10.233 -6.393 1.00 21.44 H new ATOM 791 N ALA A 51 10.750 -4.836 -7.080 1.00 53.14 N ATOM 792 CA ALA A 51 11.638 -3.688 -7.214 1.00 65.43 C ATOM 793 C ALA A 51 12.196 -3.264 -5.860 1.00 34.44 C ATOM 794 O ALA A 51 11.453 -2.828 -4.981 1.00 14.54 O ATOM 795 CB ALA A 51 10.907 -2.528 -7.873 1.00 32.22 C ATOM 0 H ALA A 51 10.013 -4.720 -6.385 1.00 53.14 H new ATOM 0 HA ALA A 51 12.476 -3.981 -7.847 1.00 65.43 H new ATOM 0 HB1 ALA A 51 11.583 -1.678 -7.966 1.00 32.22 H new ATOM 0 HB2 ALA A 51 10.564 -2.829 -8.863 1.00 32.22 H new ATOM 0 HB3 ALA A 51 10.050 -2.244 -7.263 1.00 32.22 H new ATOM 801 N VAL A 52 13.508 -3.397 -5.697 1.00 43.10 N ATOM 802 CA VAL A 52 14.165 -3.027 -4.449 1.00 62.00 C ATOM 803 C VAL A 52 14.945 -1.726 -4.603 1.00 14.21 C ATOM 804 O VAL A 52 15.616 -1.508 -5.612 1.00 11.14 O ATOM 805 CB VAL A 52 15.124 -4.133 -3.970 1.00 71.31 C ATOM 806 CG1 VAL A 52 16.166 -4.435 -5.036 1.00 23.10 C ATOM 807 CG2 VAL A 52 15.788 -3.732 -2.662 1.00 20.55 C ATOM 0 H VAL A 52 14.137 -3.758 -6.414 1.00 43.10 H new ATOM 0 HA VAL A 52 13.379 -2.891 -3.706 1.00 62.00 H new ATOM 0 HB VAL A 52 14.546 -5.040 -3.794 1.00 71.31 H new ATOM 0 HG11 VAL A 52 16.835 -5.219 -4.680 1.00 23.10 H new ATOM 0 HG12 VAL A 52 15.669 -4.769 -5.947 1.00 23.10 H new ATOM 0 HG13 VAL A 52 16.743 -3.534 -5.247 1.00 23.10 H new ATOM 0 HG21 VAL A 52 16.462 -4.525 -2.338 1.00 20.55 H new ATOM 0 HG22 VAL A 52 16.354 -2.812 -2.808 1.00 20.55 H new ATOM 0 HG23 VAL A 52 15.025 -3.571 -1.901 1.00 20.55 H new ATOM 817 N ASP A 53 14.851 -0.864 -3.596 1.00 62.40 N ATOM 818 CA ASP A 53 15.549 0.416 -3.618 1.00 21.00 C ATOM 819 C ASP A 53 16.748 0.398 -2.675 1.00 33.25 C ATOM 820 O ASP A 53 16.849 1.223 -1.766 1.00 33.31 O ATOM 821 CB ASP A 53 14.596 1.547 -3.230 1.00 11.32 C ATOM 822 CG ASP A 53 14.945 2.857 -3.909 1.00 52.00 C ATOM 823 OD1 ASP A 53 16.131 3.247 -3.872 1.00 52.35 O ATOM 824 OD2 ASP A 53 14.032 3.491 -4.478 1.00 1.41 O ATOM 0 H ASP A 53 14.298 -1.029 -2.755 1.00 62.40 H new ATOM 0 HA ASP A 53 15.910 0.587 -4.632 1.00 21.00 H new ATOM 0 HB2 ASP A 53 13.576 1.265 -3.493 1.00 11.32 H new ATOM 0 HB3 ASP A 53 14.620 1.684 -2.149 1.00 11.32 H new ATOM 829 N CYS A 54 17.654 -0.549 -2.895 1.00 53.24 N ATOM 830 CA CYS A 54 18.845 -0.677 -2.065 1.00 1.51 C ATOM 831 C CYS A 54 19.566 0.662 -1.939 1.00 3.32 C ATOM 832 O CYS A 54 19.601 1.452 -2.883 1.00 32.03 O ATOM 833 CB CYS A 54 19.792 -1.725 -2.652 1.00 52.03 C ATOM 834 SG CYS A 54 19.167 -3.433 -2.548 1.00 54.12 S ATOM 0 H CYS A 54 17.585 -1.240 -3.642 1.00 53.24 H new ATOM 0 HA CYS A 54 18.532 -0.997 -1.071 1.00 1.51 H new ATOM 0 HB2 CYS A 54 19.982 -1.482 -3.697 1.00 52.03 H new ATOM 0 HB3 CYS A 54 20.748 -1.667 -2.132 1.00 52.03 H new ATOM 839 N ASP A 55 20.141 0.910 -0.767 1.00 40.21 N ATOM 840 CA ASP A 55 20.863 2.152 -0.517 1.00 50.30 C ATOM 841 C ASP A 55 22.194 2.167 -1.263 1.00 55.11 C ATOM 842 O ASP A 55 23.059 3.001 -0.992 1.00 61.41 O ATOM 843 CB ASP A 55 21.103 2.335 0.982 1.00 32.24 C ATOM 844 CG ASP A 55 21.304 3.788 1.364 1.00 53.31 C ATOM 845 OD1 ASP A 55 21.562 4.059 2.556 1.00 41.04 O ATOM 846 OD2 ASP A 55 21.203 4.655 0.471 1.00 64.03 O ATOM 0 H ASP A 55 20.121 0.267 0.025 1.00 40.21 H new ATOM 0 HA ASP A 55 20.252 2.978 -0.883 1.00 50.30 H new ATOM 0 HB2 ASP A 55 20.255 1.931 1.535 1.00 32.24 H new ATOM 0 HB3 ASP A 55 21.980 1.760 1.279 1.00 32.24 H new TER 851 ASP A 55