USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=11 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= -0.662 K(o=-1.1,f=2.2) USER MOD Set 1.2: A 24 THR OG1 : rot -160:sc= -0.42 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 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 -65:sc= 0.509 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -1.77 K(o=-1.8,f=-6.2!) 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+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.1 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 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0659) USER MOD Single : A 40 ASN : amide:sc= -0.45 K(o=-0.45,f=-3.5!) USER MOD Single : A 41 ASN : amide:sc= -0.129 X(o=-0.13,f=0.2) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -150:sc= -1.52 USER MOD Single : A 47 THR OG1 : rot -47:sc= 0.744 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0325 K(o=-0.033,f=-1.3) USER MOD Single : A 50 ASN : amide:sc= -0.07 K(o=-0.07,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.388 1.010 -3.665 1.00 35.23 N ATOM 2 CA ALA A 1 2.528 0.417 -2.341 1.00 22.43 C ATOM 3 C ALA A 1 3.878 -0.276 -2.190 1.00 62.22 C ATOM 4 O ALA A 1 3.988 -1.490 -2.364 1.00 71.13 O ATOM 5 CB ALA A 1 1.396 -0.566 -2.080 1.00 24.22 C ATOM 0 H1 ALA A 1 1.461 1.475 -3.741 1.00 35.23 H new ATOM 0 H2 ALA A 1 3.141 1.713 -3.812 1.00 35.23 H new ATOM 0 H3 ALA A 1 2.463 0.266 -4.388 1.00 35.23 H new ATOM 0 HA ALA A 1 2.476 1.218 -1.604 1.00 22.43 H new ATOM 0 HB1 ALA A 1 1.514 -1.001 -1.088 1.00 24.22 H new ATOM 0 HB2 ALA A 1 0.441 -0.044 -2.137 1.00 24.22 H new ATOM 0 HB3 ALA A 1 1.422 -1.358 -2.829 1.00 24.22 H new ATOM 11 N LYS A 2 4.905 0.503 -1.866 1.00 71.43 N ATOM 12 CA LYS A 2 6.249 -0.035 -1.692 1.00 33.35 C ATOM 13 C LYS A 2 6.584 -0.192 -0.212 1.00 11.13 C ATOM 14 O LYS A 2 6.287 0.686 0.598 1.00 12.53 O ATOM 15 CB LYS A 2 7.277 0.877 -2.365 1.00 31.25 C ATOM 16 CG LYS A 2 8.206 0.146 -3.319 1.00 15.30 C ATOM 17 CD LYS A 2 9.530 0.874 -3.475 1.00 2.23 C ATOM 18 CE LYS A 2 9.357 2.197 -4.205 1.00 13.34 C ATOM 19 NZ LYS A 2 10.381 2.382 -5.270 1.00 31.42 N ATOM 0 H LYS A 2 4.832 1.510 -1.719 1.00 71.43 H new ATOM 0 HA LYS A 2 6.284 -1.018 -2.161 1.00 33.35 H new ATOM 0 HB2 LYS A 2 6.752 1.661 -2.911 1.00 31.25 H new ATOM 0 HB3 LYS A 2 7.873 1.368 -1.596 1.00 31.25 H new ATOM 0 HG2 LYS A 2 8.386 -0.864 -2.950 1.00 15.30 H new ATOM 0 HG3 LYS A 2 7.726 0.049 -4.293 1.00 15.30 H new ATOM 0 HD2 LYS A 2 9.965 1.054 -2.492 1.00 2.23 H new ATOM 0 HD3 LYS A 2 10.230 0.244 -4.023 1.00 2.23 H new ATOM 0 HE2 LYS A 2 8.362 2.240 -4.647 1.00 13.34 H new ATOM 0 HE3 LYS A 2 9.424 3.017 -3.490 1.00 13.34 H new ATOM 0 HZ1 LYS A 2 10.228 3.295 -5.743 1.00 31.42 H new ATOM 0 HZ2 LYS A 2 11.330 2.366 -4.845 1.00 31.42 H new ATOM 0 HZ3 LYS A 2 10.301 1.614 -5.966 1.00 31.42 H new ATOM 33 N TYR A 3 7.205 -1.314 0.134 1.00 71.12 N ATOM 34 CA TYR A 3 7.580 -1.586 1.516 1.00 13.35 C ATOM 35 C TYR A 3 8.942 -0.980 1.841 1.00 60.34 C ATOM 36 O TYR A 3 9.886 -1.087 1.057 1.00 73.34 O ATOM 37 CB TYR A 3 7.605 -3.093 1.773 1.00 30.34 C ATOM 38 CG TYR A 3 6.244 -3.746 1.682 1.00 62.10 C ATOM 39 CD1 TYR A 3 5.944 -4.630 0.653 1.00 60.30 C ATOM 40 CD2 TYR A 3 5.258 -3.478 2.624 1.00 64.04 C ATOM 41 CE1 TYR A 3 4.702 -5.229 0.565 1.00 51.41 C ATOM 42 CE2 TYR A 3 4.014 -4.073 2.544 1.00 2.23 C ATOM 43 CZ TYR A 3 3.741 -4.947 1.513 1.00 34.11 C ATOM 44 OH TYR A 3 2.502 -5.541 1.430 1.00 51.52 O ATOM 0 H TYR A 3 7.459 -2.050 -0.524 1.00 71.12 H new ATOM 0 HA TYR A 3 6.834 -1.126 2.165 1.00 13.35 H new ATOM 0 HB2 TYR A 3 8.274 -3.565 1.053 1.00 30.34 H new ATOM 0 HB3 TYR A 3 8.022 -3.277 2.763 1.00 30.34 H new ATOM 0 HD1 TYR A 3 6.695 -4.853 -0.091 1.00 60.30 H new ATOM 0 HD2 TYR A 3 5.468 -2.793 3.432 1.00 64.04 H new ATOM 0 HE1 TYR A 3 4.485 -5.914 -0.241 1.00 51.41 H new ATOM 0 HE2 TYR A 3 3.259 -3.855 3.285 1.00 2.23 H new ATOM 0 HH TYR A 3 1.943 -5.237 2.175 1.00 51.52 H new ATOM 54 N THR A 4 9.038 -0.343 3.004 1.00 73.33 N ATOM 55 CA THR A 4 10.283 0.280 3.433 1.00 11.25 C ATOM 56 C THR A 4 10.964 -0.543 4.521 1.00 73.54 C ATOM 57 O THR A 4 10.335 -0.931 5.505 1.00 42.13 O ATOM 58 CB THR A 4 10.044 1.708 3.961 1.00 73.42 C ATOM 59 OG1 THR A 4 9.123 2.397 3.108 1.00 40.01 O ATOM 60 CG2 THR A 4 11.351 2.483 4.036 1.00 35.45 C ATOM 0 H THR A 4 8.268 -0.245 3.665 1.00 73.33 H new ATOM 0 HA THR A 4 10.930 0.327 2.557 1.00 11.25 H new ATOM 0 HB THR A 4 9.625 1.636 4.965 1.00 73.42 H new ATOM 0 HG1 THR A 4 8.975 3.303 3.451 1.00 40.01 H new ATOM 0 HG21 THR A 4 11.157 3.488 4.411 1.00 35.45 H new ATOM 0 HG22 THR A 4 12.039 1.971 4.708 1.00 35.45 H new ATOM 0 HG23 THR A 4 11.794 2.546 3.042 1.00 35.45 H new ATOM 68 N GLY A 5 12.254 -0.808 4.336 1.00 12.53 N ATOM 69 CA GLY A 5 12.999 -1.584 5.310 1.00 14.45 C ATOM 70 C GLY A 5 14.497 -1.391 5.182 1.00 33.20 C ATOM 71 O GLY A 5 14.957 -0.406 4.604 1.00 72.31 O ATOM 0 H GLY A 5 12.796 -0.499 3.529 1.00 12.53 H new ATOM 0 HA2 GLY A 5 12.684 -1.300 6.314 1.00 14.45 H new ATOM 0 HA3 GLY A 5 12.760 -2.640 5.188 1.00 14.45 H new ATOM 75 N LYS A 6 15.261 -2.333 5.724 1.00 62.32 N ATOM 76 CA LYS A 6 16.717 -2.264 5.668 1.00 35.12 C ATOM 77 C LYS A 6 17.310 -3.607 5.255 1.00 32.34 C ATOM 78 O LYS A 6 16.624 -4.630 5.267 1.00 24.23 O ATOM 79 CB LYS A 6 17.280 -1.842 7.027 1.00 52.30 C ATOM 80 CG LYS A 6 16.504 -0.712 7.683 1.00 61.35 C ATOM 81 CD LYS A 6 15.428 -1.243 8.616 1.00 44.35 C ATOM 82 CE LYS A 6 15.829 -1.085 10.074 1.00 15.44 C ATOM 83 NZ LYS A 6 14.665 -0.731 10.934 1.00 74.44 N ATOM 0 H LYS A 6 14.896 -3.154 6.207 1.00 62.32 H new ATOM 0 HA LYS A 6 16.992 -1.520 4.920 1.00 35.12 H new ATOM 0 HB2 LYS A 6 17.283 -2.705 7.693 1.00 52.30 H new ATOM 0 HB3 LYS A 6 18.318 -1.534 6.901 1.00 52.30 H new ATOM 0 HG2 LYS A 6 17.190 -0.075 8.242 1.00 61.35 H new ATOM 0 HG3 LYS A 6 16.046 -0.090 6.914 1.00 61.35 H new ATOM 0 HD2 LYS A 6 14.493 -0.712 8.435 1.00 44.35 H new ATOM 0 HD3 LYS A 6 15.244 -2.295 8.400 1.00 44.35 H new ATOM 0 HE2 LYS A 6 16.275 -2.013 10.431 1.00 15.44 H new ATOM 0 HE3 LYS A 6 16.592 -0.311 10.159 1.00 15.44 H new ATOM 0 HZ1 LYS A 6 14.979 -0.632 11.920 1.00 74.44 H new ATOM 0 HZ2 LYS A 6 14.254 0.168 10.610 1.00 74.44 H new ATOM 0 HZ3 LYS A 6 13.947 -1.481 10.873 1.00 74.44 H new ATOM 97 N CYS A 7 18.588 -3.598 4.892 1.00 51.10 N ATOM 98 CA CYS A 7 19.274 -4.815 4.477 1.00 63.14 C ATOM 99 C CYS A 7 20.483 -5.089 5.367 1.00 35.34 C ATOM 100 O CYS A 7 20.666 -4.444 6.400 1.00 22.44 O ATOM 101 CB CYS A 7 19.718 -4.702 3.017 1.00 63.32 C ATOM 102 SG CYS A 7 18.851 -3.408 2.074 1.00 55.34 S ATOM 0 H CYS A 7 19.170 -2.760 4.877 1.00 51.10 H new ATOM 0 HA CYS A 7 18.576 -5.647 4.575 1.00 63.14 H new ATOM 0 HB2 CYS A 7 20.789 -4.501 2.989 1.00 63.32 H new ATOM 0 HB3 CYS A 7 19.561 -5.662 2.525 1.00 63.32 H new ATOM 107 N THR A 8 21.305 -6.051 4.960 1.00 22.01 N ATOM 108 CA THR A 8 22.495 -6.412 5.720 1.00 0.24 C ATOM 109 C THR A 8 23.709 -6.551 4.809 1.00 73.33 C ATOM 110 O THR A 8 23.701 -7.341 3.864 1.00 4.11 O ATOM 111 CB THR A 8 22.291 -7.730 6.490 1.00 23.24 C ATOM 112 OG1 THR A 8 20.900 -8.066 6.528 1.00 52.23 O ATOM 113 CG2 THR A 8 22.829 -7.617 7.909 1.00 60.00 C ATOM 0 H THR A 8 21.168 -6.594 4.108 1.00 22.01 H new ATOM 0 HA THR A 8 22.671 -5.607 6.433 1.00 0.24 H new ATOM 0 HB THR A 8 22.840 -8.516 5.971 1.00 23.24 H new ATOM 0 HG1 THR A 8 20.780 -8.906 7.018 1.00 52.23 H new ATOM 0 HG21 THR A 8 22.674 -8.560 8.433 1.00 60.00 H new ATOM 0 HG22 THR A 8 23.895 -7.391 7.877 1.00 60.00 H new ATOM 0 HG23 THR A 8 22.304 -6.819 8.435 1.00 60.00 H new ATOM 121 N LYS A 9 24.752 -5.780 5.098 1.00 75.25 N ATOM 122 CA LYS A 9 25.975 -5.819 4.305 1.00 11.41 C ATOM 123 C LYS A 9 26.470 -7.252 4.137 1.00 12.35 C ATOM 124 O LYS A 9 27.207 -7.558 3.201 1.00 62.13 O ATOM 125 CB LYS A 9 27.061 -4.966 4.965 1.00 63.40 C ATOM 126 CG LYS A 9 27.526 -5.506 6.307 1.00 43.24 C ATOM 127 CD LYS A 9 28.843 -6.254 6.181 1.00 73.22 C ATOM 128 CE LYS A 9 29.998 -5.306 5.897 1.00 72.20 C ATOM 129 NZ LYS A 9 30.893 -5.153 7.077 1.00 31.53 N ATOM 0 H LYS A 9 24.775 -5.120 5.876 1.00 75.25 H new ATOM 0 HA LYS A 9 25.752 -5.413 3.318 1.00 11.41 H new ATOM 0 HB2 LYS A 9 27.917 -4.899 4.293 1.00 63.40 H new ATOM 0 HB3 LYS A 9 26.683 -3.953 5.102 1.00 63.40 H new ATOM 0 HG2 LYS A 9 27.640 -4.682 7.012 1.00 43.24 H new ATOM 0 HG3 LYS A 9 26.766 -6.172 6.715 1.00 43.24 H new ATOM 0 HD2 LYS A 9 29.040 -6.803 7.102 1.00 73.22 H new ATOM 0 HD3 LYS A 9 28.770 -6.990 5.380 1.00 73.22 H new ATOM 0 HE2 LYS A 9 30.574 -5.679 5.050 1.00 72.20 H new ATOM 0 HE3 LYS A 9 29.605 -4.331 5.610 1.00 72.20 H new ATOM 0 HZ1 LYS A 9 31.667 -4.499 6.843 1.00 31.53 H new ATOM 0 HZ2 LYS A 9 30.349 -4.773 7.878 1.00 31.53 H new ATOM 0 HZ3 LYS A 9 31.288 -6.080 7.335 1.00 31.53 H new ATOM 143 N SER A 10 26.058 -8.126 5.050 1.00 3.34 N ATOM 144 CA SER A 10 26.462 -9.526 5.005 1.00 60.25 C ATOM 145 C SER A 10 25.898 -10.214 3.765 1.00 40.21 C ATOM 146 O SER A 10 24.826 -10.818 3.809 1.00 63.32 O ATOM 147 CB SER A 10 25.992 -10.256 6.265 1.00 43.25 C ATOM 148 OG SER A 10 25.936 -11.656 6.052 1.00 2.21 O ATOM 0 H SER A 10 25.445 -7.889 5.830 1.00 3.34 H new ATOM 0 HA SER A 10 27.550 -9.563 4.957 1.00 60.25 H new ATOM 0 HB2 SER A 10 26.670 -10.037 7.090 1.00 43.25 H new ATOM 0 HB3 SER A 10 25.007 -9.889 6.556 1.00 43.25 H new ATOM 0 HG SER A 10 25.250 -11.858 5.382 1.00 2.21 H new ATOM 154 N LYS A 11 26.628 -10.117 2.659 1.00 51.12 N ATOM 155 CA LYS A 11 26.204 -10.729 1.405 1.00 33.45 C ATOM 156 C LYS A 11 24.955 -10.044 0.860 1.00 42.42 C ATOM 157 O LYS A 11 24.342 -10.518 -0.095 1.00 64.33 O ATOM 158 CB LYS A 11 25.931 -12.221 1.610 1.00 73.31 C ATOM 159 CG LYS A 11 26.299 -13.077 0.410 1.00 24.03 C ATOM 160 CD LYS A 11 27.790 -13.369 0.370 1.00 1.34 C ATOM 161 CE LYS A 11 28.066 -14.805 -0.046 1.00 31.42 C ATOM 162 NZ LYS A 11 28.771 -15.567 1.023 1.00 55.15 N ATOM 0 H LYS A 11 27.517 -9.620 2.606 1.00 51.12 H new ATOM 0 HA LYS A 11 27.009 -10.608 0.680 1.00 33.45 H new ATOM 0 HB2 LYS A 11 26.490 -12.568 2.479 1.00 73.31 H new ATOM 0 HB3 LYS A 11 24.874 -12.361 1.835 1.00 73.31 H new ATOM 0 HG2 LYS A 11 25.744 -14.015 0.447 1.00 24.03 H new ATOM 0 HG3 LYS A 11 26.002 -12.567 -0.507 1.00 24.03 H new ATOM 0 HD2 LYS A 11 28.277 -12.687 -0.327 1.00 1.34 H new ATOM 0 HD3 LYS A 11 28.224 -13.184 1.352 1.00 1.34 H new ATOM 0 HE2 LYS A 11 27.125 -15.301 -0.285 1.00 31.42 H new ATOM 0 HE3 LYS A 11 28.669 -14.811 -0.954 1.00 31.42 H new ATOM 0 HZ1 LYS A 11 28.941 -16.541 0.701 1.00 55.15 H new ATOM 0 HZ2 LYS A 11 29.680 -15.109 1.234 1.00 55.15 H new ATOM 0 HZ3 LYS A 11 28.184 -15.584 1.882 1.00 55.15 H new ATOM 176 N ASN A 12 24.585 -8.924 1.472 1.00 3.54 N ATOM 177 CA ASN A 12 23.410 -8.172 1.047 1.00 42.12 C ATOM 178 C ASN A 12 22.137 -8.982 1.268 1.00 73.55 C ATOM 179 O ASN A 12 22.086 -10.173 0.960 1.00 42.35 O ATOM 180 CB ASN A 12 23.533 -7.786 -0.429 1.00 10.34 C ATOM 181 CG ASN A 12 22.294 -8.147 -1.226 1.00 3.43 C ATOM 182 OD1 ASN A 12 22.149 -9.278 -1.689 1.00 54.21 O ATOM 183 ND2 ASN A 12 21.395 -7.184 -1.389 1.00 53.41 N ATOM 0 H ASN A 12 25.082 -8.517 2.264 1.00 3.54 H new ATOM 0 HA ASN A 12 23.351 -7.265 1.649 1.00 42.12 H new ATOM 0 HB2 ASN A 12 23.713 -6.714 -0.508 1.00 10.34 H new ATOM 0 HB3 ASN A 12 24.399 -8.287 -0.862 1.00 10.34 H new ATOM 0 HD21 ASN A 12 20.541 -7.367 -1.916 1.00 53.41 H new ATOM 0 HD22 ASN A 12 21.558 -6.261 -0.987 1.00 53.41 H new ATOM 190 N GLU A 13 21.110 -8.328 1.802 1.00 24.24 N ATOM 191 CA GLU A 13 19.837 -8.989 2.064 1.00 1.23 C ATOM 192 C GLU A 13 18.822 -8.005 2.638 1.00 54.20 C ATOM 193 O GLU A 13 18.763 -7.791 3.849 1.00 34.43 O ATOM 194 CB GLU A 13 20.033 -10.158 3.031 1.00 23.15 C ATOM 195 CG GLU A 13 19.195 -11.379 2.689 1.00 44.52 C ATOM 196 CD GLU A 13 19.168 -12.401 3.809 1.00 44.44 C ATOM 197 OE1 GLU A 13 19.934 -12.234 4.781 1.00 32.34 O ATOM 198 OE2 GLU A 13 18.383 -13.366 3.712 1.00 32.43 O ATOM 0 H GLU A 13 21.135 -7.342 2.061 1.00 24.24 H new ATOM 0 HA GLU A 13 19.453 -9.370 1.118 1.00 1.23 H new ATOM 0 HB2 GLU A 13 21.086 -10.441 3.037 1.00 23.15 H new ATOM 0 HB3 GLU A 13 19.785 -9.829 4.040 1.00 23.15 H new ATOM 0 HG2 GLU A 13 18.176 -11.064 2.465 1.00 44.52 H new ATOM 0 HG3 GLU A 13 19.590 -11.845 1.786 1.00 44.52 H new ATOM 205 N CYS A 14 18.024 -7.407 1.759 1.00 31.31 N ATOM 206 CA CYS A 14 17.011 -6.445 2.176 1.00 61.03 C ATOM 207 C CYS A 14 15.792 -7.156 2.757 1.00 51.44 C ATOM 208 O CYS A 14 15.207 -8.031 2.119 1.00 53.15 O ATOM 209 CB CYS A 14 16.590 -5.572 0.992 1.00 1.42 C ATOM 210 SG CYS A 14 15.634 -4.093 1.462 1.00 65.52 S ATOM 0 H CYS A 14 18.060 -7.572 0.753 1.00 31.31 H new ATOM 0 HA CYS A 14 17.443 -5.812 2.951 1.00 61.03 H new ATOM 0 HB2 CYS A 14 17.482 -5.258 0.450 1.00 1.42 H new ATOM 0 HB3 CYS A 14 15.995 -6.173 0.305 1.00 1.42 H new ATOM 215 N LYS A 15 15.414 -6.773 3.971 1.00 0.55 N ATOM 216 CA LYS A 15 14.264 -7.370 4.640 1.00 62.34 C ATOM 217 C LYS A 15 13.061 -6.434 4.594 1.00 1.34 C ATOM 218 O LYS A 15 13.208 -5.214 4.678 1.00 62.14 O ATOM 219 CB LYS A 15 14.609 -7.704 6.093 1.00 64.44 C ATOM 220 CG LYS A 15 13.407 -8.117 6.924 1.00 1.11 C ATOM 221 CD LYS A 15 12.849 -6.946 7.716 1.00 75.33 C ATOM 222 CE LYS A 15 13.808 -6.505 8.810 1.00 30.34 C ATOM 223 NZ LYS A 15 13.124 -5.690 9.852 1.00 31.43 N ATOM 0 H LYS A 15 15.888 -6.051 4.513 1.00 0.55 H new ATOM 0 HA LYS A 15 14.007 -8.289 4.114 1.00 62.34 H new ATOM 0 HB2 LYS A 15 15.344 -8.509 6.107 1.00 64.44 H new ATOM 0 HB3 LYS A 15 15.078 -6.836 6.555 1.00 64.44 H new ATOM 0 HG2 LYS A 15 12.632 -8.518 6.271 1.00 1.11 H new ATOM 0 HG3 LYS A 15 13.693 -8.917 7.607 1.00 1.11 H new ATOM 0 HD2 LYS A 15 12.654 -6.111 7.043 1.00 75.33 H new ATOM 0 HD3 LYS A 15 11.894 -7.228 8.160 1.00 75.33 H new ATOM 0 HE2 LYS A 15 14.259 -7.383 9.273 1.00 30.34 H new ATOM 0 HE3 LYS A 15 14.619 -5.925 8.370 1.00 30.34 H new ATOM 0 HZ1 LYS A 15 13.812 -5.409 10.580 1.00 31.43 H new ATOM 0 HZ2 LYS A 15 12.716 -4.839 9.415 1.00 31.43 H new ATOM 0 HZ3 LYS A 15 12.366 -6.252 10.290 1.00 31.43 H new ATOM 237 N TYR A 16 11.872 -7.011 4.463 1.00 22.44 N ATOM 238 CA TYR A 16 10.644 -6.228 4.406 1.00 12.24 C ATOM 239 C TYR A 16 9.436 -7.081 4.782 1.00 52.40 C ATOM 240 O TYR A 16 9.579 -8.202 5.270 1.00 3.32 O ATOM 241 CB TYR A 16 10.453 -5.641 3.007 1.00 72.33 C ATOM 242 CG TYR A 16 10.019 -6.660 1.977 1.00 23.32 C ATOM 243 CD1 TYR A 16 10.829 -7.744 1.660 1.00 20.23 C ATOM 244 CD2 TYR A 16 8.801 -6.539 1.321 1.00 51.14 C ATOM 245 CE1 TYR A 16 10.438 -8.677 0.720 1.00 74.42 C ATOM 246 CE2 TYR A 16 8.401 -7.468 0.380 1.00 73.00 C ATOM 247 CZ TYR A 16 9.222 -8.535 0.083 1.00 65.21 C ATOM 248 OH TYR A 16 8.828 -9.462 -0.855 1.00 20.14 O ATOM 0 H TYR A 16 11.733 -8.019 4.394 1.00 22.44 H new ATOM 0 HA TYR A 16 10.729 -5.414 5.126 1.00 12.24 H new ATOM 0 HB2 TYR A 16 9.710 -4.845 3.054 1.00 72.33 H new ATOM 0 HB3 TYR A 16 11.388 -5.185 2.683 1.00 72.33 H new ATOM 0 HD1 TYR A 16 11.781 -7.859 2.157 1.00 20.23 H new ATOM 0 HD2 TYR A 16 8.155 -5.704 1.550 1.00 51.14 H new ATOM 0 HE1 TYR A 16 11.080 -9.513 0.485 1.00 74.42 H new ATOM 0 HE2 TYR A 16 7.450 -7.359 -0.120 1.00 73.00 H new ATOM 0 HH TYR A 16 7.947 -9.217 -1.208 1.00 20.14 H new ATOM 258 N LYS A 17 8.244 -6.541 4.550 1.00 50.02 N ATOM 259 CA LYS A 17 7.009 -7.250 4.861 1.00 74.43 C ATOM 260 C LYS A 17 6.166 -7.452 3.605 1.00 0.43 C ATOM 261 O LYS A 17 5.724 -6.487 2.982 1.00 64.40 O ATOM 262 CB LYS A 17 6.204 -6.480 5.910 1.00 51.22 C ATOM 263 CG LYS A 17 5.989 -5.018 5.558 1.00 12.12 C ATOM 264 CD LYS A 17 5.486 -4.225 6.753 1.00 22.21 C ATOM 265 CE LYS A 17 4.560 -3.098 6.324 1.00 13.22 C ATOM 266 NZ LYS A 17 3.635 -2.693 7.419 1.00 52.01 N ATOM 0 H LYS A 17 8.108 -5.614 4.147 1.00 50.02 H new ATOM 0 HA LYS A 17 7.273 -8.229 5.262 1.00 74.43 H new ATOM 0 HB2 LYS A 17 5.234 -6.961 6.037 1.00 51.22 H new ATOM 0 HB3 LYS A 17 6.719 -6.542 6.869 1.00 51.22 H new ATOM 0 HG2 LYS A 17 6.925 -4.587 5.202 1.00 12.12 H new ATOM 0 HG3 LYS A 17 5.272 -4.941 4.741 1.00 12.12 H new ATOM 0 HD2 LYS A 17 4.959 -4.890 7.437 1.00 22.21 H new ATOM 0 HD3 LYS A 17 6.334 -3.813 7.300 1.00 22.21 H new ATOM 0 HE2 LYS A 17 5.154 -2.238 6.014 1.00 13.22 H new ATOM 0 HE3 LYS A 17 3.980 -3.415 5.457 1.00 13.22 H new ATOM 0 HZ1 LYS A 17 3.020 -1.923 7.087 1.00 52.01 H new ATOM 0 HZ2 LYS A 17 3.050 -3.507 7.698 1.00 52.01 H new ATOM 0 HZ3 LYS A 17 4.188 -2.367 8.237 1.00 52.01 H new ATOM 280 N ASN A 18 5.946 -8.711 3.241 1.00 2.21 N ATOM 281 CA ASN A 18 5.155 -9.038 2.060 1.00 3.02 C ATOM 282 C ASN A 18 3.899 -9.813 2.445 1.00 54.02 C ATOM 283 O ASN A 18 3.710 -10.173 3.607 1.00 62.01 O ATOM 284 CB ASN A 18 5.990 -9.855 1.072 1.00 31.53 C ATOM 285 CG ASN A 18 5.938 -11.343 1.364 1.00 50.22 C ATOM 286 OD1 ASN A 18 5.377 -12.119 0.590 1.00 31.04 O ATOM 287 ND2 ASN A 18 6.525 -11.747 2.485 1.00 54.44 N ATOM 0 H ASN A 18 6.304 -9.521 3.747 1.00 2.21 H new ATOM 0 HA ASN A 18 4.853 -8.105 1.585 1.00 3.02 H new ATOM 0 HB2 ASN A 18 5.630 -9.673 0.059 1.00 31.53 H new ATOM 0 HB3 ASN A 18 7.025 -9.516 1.108 1.00 31.53 H new ATOM 0 HD21 ASN A 18 6.523 -12.736 2.734 1.00 54.44 H new ATOM 0 HD22 ASN A 18 6.978 -11.068 3.097 1.00 54.44 H new ATOM 294 N ASP A 19 3.043 -10.067 1.461 1.00 14.41 N ATOM 295 CA ASP A 19 1.804 -10.800 1.695 1.00 24.44 C ATOM 296 C ASP A 19 0.826 -9.967 2.516 1.00 14.34 C ATOM 297 O ASP A 19 -0.165 -9.459 1.991 1.00 21.14 O ATOM 298 CB ASP A 19 2.096 -12.120 2.412 1.00 1.32 C ATOM 299 CG ASP A 19 1.733 -13.328 1.572 1.00 50.14 C ATOM 300 OD1 ASP A 19 1.877 -13.254 0.333 1.00 32.40 O ATOM 301 OD2 ASP A 19 1.306 -14.347 2.152 1.00 32.43 O ATOM 0 H ASP A 19 3.184 -9.776 0.494 1.00 14.41 H new ATOM 0 HA ASP A 19 1.348 -11.013 0.728 1.00 24.44 H new ATOM 0 HB2 ASP A 19 3.154 -12.164 2.668 1.00 1.32 H new ATOM 0 HB3 ASP A 19 1.540 -12.152 3.349 1.00 1.32 H new ATOM 306 N ALA A 20 1.110 -9.831 3.808 1.00 72.05 N ATOM 307 CA ALA A 20 0.255 -9.059 4.701 1.00 44.53 C ATOM 308 C ALA A 20 0.969 -8.750 6.012 1.00 3.33 C ATOM 309 O ALA A 20 0.333 -8.575 7.051 1.00 70.53 O ATOM 310 CB ALA A 20 -1.042 -9.806 4.967 1.00 34.54 C ATOM 0 H ALA A 20 1.926 -10.246 4.259 1.00 72.05 H new ATOM 0 HA ALA A 20 0.022 -8.113 4.213 1.00 44.53 H new ATOM 0 HB1 ALA A 20 -1.670 -9.217 5.635 1.00 34.54 H new ATOM 0 HB2 ALA A 20 -1.567 -9.970 4.026 1.00 34.54 H new ATOM 0 HB3 ALA A 20 -0.820 -10.767 5.431 1.00 34.54 H new ATOM 316 N GLY A 21 2.296 -8.684 5.958 1.00 63.04 N ATOM 317 CA GLY A 21 3.075 -8.397 7.148 1.00 35.14 C ATOM 318 C GLY A 21 4.099 -9.474 7.445 1.00 43.03 C ATOM 319 O GLY A 21 4.779 -9.430 8.470 1.00 11.05 O ATOM 0 H GLY A 21 2.846 -8.824 5.110 1.00 63.04 H new ATOM 0 HA2 GLY A 21 3.584 -7.441 7.024 1.00 35.14 H new ATOM 0 HA3 GLY A 21 2.404 -8.293 8.001 1.00 35.14 H new ATOM 323 N LYS A 22 4.211 -10.446 6.546 1.00 53.14 N ATOM 324 CA LYS A 22 5.159 -11.540 6.715 1.00 62.33 C ATOM 325 C LYS A 22 6.586 -11.068 6.455 1.00 63.41 C ATOM 326 O LYS A 22 6.874 -10.476 5.415 1.00 45.30 O ATOM 327 CB LYS A 22 4.812 -12.694 5.771 1.00 43.33 C ATOM 328 CG LYS A 22 3.914 -13.745 6.399 1.00 12.21 C ATOM 329 CD LYS A 22 4.718 -14.777 7.171 1.00 65.13 C ATOM 330 CE LYS A 22 3.905 -15.385 8.303 1.00 2.02 C ATOM 331 NZ LYS A 22 3.716 -16.851 8.125 1.00 32.32 N ATOM 0 H LYS A 22 3.656 -10.498 5.692 1.00 53.14 H new ATOM 0 HA LYS A 22 5.092 -11.889 7.745 1.00 62.33 H new ATOM 0 HB2 LYS A 22 4.322 -12.292 4.884 1.00 43.33 H new ATOM 0 HB3 LYS A 22 5.734 -13.169 5.437 1.00 43.33 H new ATOM 0 HG2 LYS A 22 3.201 -13.263 7.068 1.00 12.21 H new ATOM 0 HG3 LYS A 22 3.335 -14.242 5.621 1.00 12.21 H new ATOM 0 HD2 LYS A 22 5.046 -15.565 6.493 1.00 65.13 H new ATOM 0 HD3 LYS A 22 5.616 -14.311 7.576 1.00 65.13 H new ATOM 0 HE2 LYS A 22 4.406 -15.196 9.252 1.00 2.02 H new ATOM 0 HE3 LYS A 22 2.932 -14.897 8.354 1.00 2.02 H new ATOM 0 HZ1 LYS A 22 3.157 -17.228 8.917 1.00 32.32 H new ATOM 0 HZ2 LYS A 22 3.215 -17.030 7.231 1.00 32.32 H new ATOM 0 HZ3 LYS A 22 4.644 -17.320 8.102 1.00 32.32 H new ATOM 345 N ASP A 23 7.475 -11.336 7.405 1.00 62.10 N ATOM 346 CA ASP A 23 8.873 -10.941 7.277 1.00 22.14 C ATOM 347 C ASP A 23 9.595 -11.819 6.260 1.00 43.21 C ATOM 348 O ASP A 23 9.712 -13.031 6.441 1.00 22.41 O ATOM 349 CB ASP A 23 9.575 -11.027 8.633 1.00 25.24 C ATOM 350 CG ASP A 23 8.678 -10.600 9.778 1.00 21.43 C ATOM 351 OD1 ASP A 23 8.271 -9.420 9.805 1.00 3.34 O ATOM 352 OD2 ASP A 23 8.382 -11.447 10.647 1.00 71.12 O ATOM 0 H ASP A 23 7.253 -11.825 8.272 1.00 62.10 H new ATOM 0 HA ASP A 23 8.903 -9.910 6.926 1.00 22.14 H new ATOM 0 HB2 ASP A 23 9.911 -12.050 8.801 1.00 25.24 H new ATOM 0 HB3 ASP A 23 10.465 -10.398 8.619 1.00 25.24 H new ATOM 357 N THR A 24 10.078 -11.199 5.188 1.00 50.34 N ATOM 358 CA THR A 24 10.786 -11.923 4.140 1.00 64.00 C ATOM 359 C THR A 24 11.986 -11.129 3.637 1.00 4.43 C ATOM 360 O THR A 24 11.925 -9.906 3.509 1.00 15.44 O ATOM 361 CB THR A 24 9.860 -12.240 2.951 1.00 50.52 C ATOM 362 OG1 THR A 24 8.769 -13.059 3.384 1.00 31.43 O ATOM 363 CG2 THR A 24 10.624 -12.948 1.843 1.00 65.21 C ATOM 0 H THR A 24 9.992 -10.196 5.023 1.00 50.34 H new ATOM 0 HA THR A 24 11.131 -12.858 4.581 1.00 64.00 H new ATOM 0 HB THR A 24 9.474 -11.299 2.560 1.00 50.52 H new ATOM 0 HG1 THR A 24 8.374 -13.513 2.611 1.00 31.43 H new ATOM 0 HG21 THR A 24 9.949 -13.161 1.014 1.00 65.21 H new ATOM 0 HG22 THR A 24 11.435 -12.309 1.495 1.00 65.21 H new ATOM 0 HG23 THR A 24 11.036 -13.882 2.225 1.00 65.21 H new ATOM 371 N PHE A 25 13.078 -11.831 3.353 1.00 70.13 N ATOM 372 CA PHE A 25 14.293 -11.191 2.864 1.00 44.43 C ATOM 373 C PHE A 25 14.357 -11.237 1.340 1.00 64.31 C ATOM 374 O PHE A 25 13.655 -12.022 0.702 1.00 33.25 O ATOM 375 CB PHE A 25 15.528 -11.871 3.458 1.00 3.44 C ATOM 376 CG PHE A 25 15.399 -12.173 4.924 1.00 52.10 C ATOM 377 CD1 PHE A 25 15.858 -13.374 5.440 1.00 10.24 C ATOM 378 CD2 PHE A 25 14.817 -11.256 5.785 1.00 22.31 C ATOM 379 CE1 PHE A 25 15.741 -13.655 6.789 1.00 53.03 C ATOM 380 CE2 PHE A 25 14.698 -11.532 7.134 1.00 14.21 C ATOM 381 CZ PHE A 25 15.159 -12.733 7.636 1.00 13.04 C ATOM 0 H PHE A 25 13.146 -12.844 3.453 1.00 70.13 H new ATOM 0 HA PHE A 25 14.275 -10.147 3.178 1.00 44.43 H new ATOM 0 HB2 PHE A 25 15.716 -12.800 2.919 1.00 3.44 H new ATOM 0 HB3 PHE A 25 16.396 -11.230 3.302 1.00 3.44 H new ATOM 0 HD1 PHE A 25 16.312 -14.099 4.781 1.00 10.24 H new ATOM 0 HD2 PHE A 25 14.453 -10.316 5.398 1.00 22.31 H new ATOM 0 HE1 PHE A 25 16.104 -14.594 7.179 1.00 53.03 H new ATOM 0 HE2 PHE A 25 14.245 -10.809 7.795 1.00 14.21 H new ATOM 0 HZ PHE A 25 15.064 -12.951 8.690 1.00 13.04 H new ATOM 391 N ILE A 26 15.204 -10.391 0.763 1.00 22.22 N ATOM 392 CA ILE A 26 15.361 -10.336 -0.685 1.00 13.01 C ATOM 393 C ILE A 26 16.556 -9.474 -1.076 1.00 51.42 C ATOM 394 O ILE A 26 16.637 -8.301 -0.709 1.00 20.44 O ATOM 395 CB ILE A 26 14.096 -9.781 -1.367 1.00 63.00 C ATOM 396 CG1 ILE A 26 14.293 -9.721 -2.883 1.00 41.52 C ATOM 397 CG2 ILE A 26 13.758 -8.404 -0.816 1.00 3.21 C ATOM 398 CD1 ILE A 26 14.598 -11.064 -3.507 1.00 23.30 C ATOM 0 H ILE A 26 15.792 -9.734 1.276 1.00 22.22 H new ATOM 0 HA ILE A 26 15.528 -11.358 -1.024 1.00 13.01 H new ATOM 0 HB ILE A 26 13.262 -10.450 -1.154 1.00 63.00 H new ATOM 0 HG12 ILE A 26 13.393 -9.312 -3.342 1.00 41.52 H new ATOM 0 HG13 ILE A 26 15.107 -9.032 -3.108 1.00 41.52 H new ATOM 0 HG21 ILE A 26 12.862 -8.025 -1.308 1.00 3.21 H new ATOM 0 HG22 ILE A 26 13.581 -8.475 0.257 1.00 3.21 H new ATOM 0 HG23 ILE A 26 14.589 -7.724 -1.002 1.00 3.21 H new ATOM 0 HD11 ILE A 26 14.725 -10.945 -4.583 1.00 23.30 H new ATOM 0 HD12 ILE A 26 15.515 -11.466 -3.075 1.00 23.30 H new ATOM 0 HD13 ILE A 26 13.774 -11.751 -3.313 1.00 23.30 H new ATOM 410 N LYS A 27 17.482 -10.061 -1.826 1.00 60.22 N ATOM 411 CA LYS A 27 18.673 -9.347 -2.272 1.00 32.15 C ATOM 412 C LYS A 27 18.296 -8.146 -3.133 1.00 65.13 C ATOM 413 O LYS A 27 17.130 -7.758 -3.200 1.00 13.13 O ATOM 414 CB LYS A 27 19.591 -10.285 -3.058 1.00 73.35 C ATOM 415 CG LYS A 27 19.890 -11.589 -2.338 1.00 51.34 C ATOM 416 CD LYS A 27 19.254 -12.775 -3.044 1.00 51.52 C ATOM 417 CE LYS A 27 20.084 -13.224 -4.237 1.00 10.01 C ATOM 418 NZ LYS A 27 19.518 -14.442 -4.879 1.00 72.42 N ATOM 0 H LYS A 27 17.431 -11.031 -2.138 1.00 60.22 H new ATOM 0 HA LYS A 27 19.203 -8.987 -1.390 1.00 32.15 H new ATOM 0 HB2 LYS A 27 19.130 -10.509 -4.020 1.00 73.35 H new ATOM 0 HB3 LYS A 27 20.530 -9.771 -3.266 1.00 73.35 H new ATOM 0 HG2 LYS A 27 20.969 -11.735 -2.280 1.00 51.34 H new ATOM 0 HG3 LYS A 27 19.521 -11.533 -1.314 1.00 51.34 H new ATOM 0 HD2 LYS A 27 19.146 -13.602 -2.343 1.00 51.52 H new ATOM 0 HD3 LYS A 27 18.251 -12.507 -3.377 1.00 51.52 H new ATOM 0 HE2 LYS A 27 20.134 -12.418 -4.969 1.00 10.01 H new ATOM 0 HE3 LYS A 27 21.105 -13.425 -3.914 1.00 10.01 H new ATOM 0 HZ1 LYS A 27 20.112 -14.716 -5.688 1.00 72.42 H new ATOM 0 HZ2 LYS A 27 19.494 -15.219 -4.188 1.00 72.42 H new ATOM 0 HZ3 LYS A 27 18.553 -14.243 -5.210 1.00 72.42 H new ATOM 432 N CYS A 28 19.291 -7.562 -3.793 1.00 62.20 N ATOM 433 CA CYS A 28 19.065 -6.406 -4.652 1.00 0.02 C ATOM 434 C CYS A 28 19.190 -6.789 -6.124 1.00 34.03 C ATOM 435 O CYS A 28 20.259 -6.698 -6.726 1.00 65.31 O ATOM 436 CB CYS A 28 20.060 -5.293 -4.317 1.00 64.30 C ATOM 437 SG CYS A 28 19.691 -3.700 -5.119 1.00 5.32 S ATOM 0 H CYS A 28 20.262 -7.871 -3.749 1.00 62.20 H new ATOM 0 HA CYS A 28 18.052 -6.045 -4.474 1.00 0.02 H new ATOM 0 HB2 CYS A 28 20.077 -5.148 -3.237 1.00 64.30 H new ATOM 0 HB3 CYS A 28 21.059 -5.613 -4.612 1.00 64.30 H new ATOM 442 N PRO A 29 18.070 -7.227 -6.718 1.00 33.43 N ATOM 443 CA PRO A 29 18.027 -7.632 -8.126 1.00 20.21 C ATOM 444 C PRO A 29 18.184 -6.449 -9.074 1.00 54.54 C ATOM 445 O PRO A 29 18.499 -6.620 -10.252 1.00 74.51 O ATOM 446 CB PRO A 29 16.637 -8.256 -8.274 1.00 11.32 C ATOM 447 CG PRO A 29 15.819 -7.615 -7.206 1.00 52.13 C ATOM 448 CD PRO A 29 16.759 -7.361 -6.060 1.00 72.23 C ATOM 0 HA PRO A 29 18.842 -8.310 -8.380 1.00 20.21 H new ATOM 0 HB2 PRO A 29 16.219 -8.063 -9.262 1.00 11.32 H new ATOM 0 HB3 PRO A 29 16.673 -9.338 -8.149 1.00 11.32 H new ATOM 0 HG2 PRO A 29 15.375 -6.685 -7.560 1.00 52.13 H new ATOM 0 HG3 PRO A 29 14.998 -8.264 -6.901 1.00 52.13 H new ATOM 0 HD2 PRO A 29 16.490 -6.458 -5.512 1.00 72.23 H new ATOM 0 HD3 PRO A 29 16.751 -8.183 -5.344 1.00 72.23 H new ATOM 456 N LYS A 30 17.962 -5.246 -8.554 1.00 60.21 N ATOM 457 CA LYS A 30 18.080 -4.032 -9.353 1.00 70.55 C ATOM 458 C LYS A 30 19.472 -3.919 -9.968 1.00 14.33 C ATOM 459 O LYS A 30 19.635 -4.028 -11.183 1.00 44.30 O ATOM 460 CB LYS A 30 17.788 -2.801 -8.494 1.00 1.43 C ATOM 461 CG LYS A 30 16.502 -2.087 -8.871 1.00 14.40 C ATOM 462 CD LYS A 30 16.622 -1.396 -10.219 1.00 0.51 C ATOM 463 CE LYS A 30 15.256 -1.111 -10.824 1.00 34.25 C ATOM 464 NZ LYS A 30 15.362 -0.597 -12.217 1.00 72.42 N ATOM 0 H LYS A 30 17.699 -5.086 -7.582 1.00 60.21 H new ATOM 0 HA LYS A 30 17.349 -4.085 -10.160 1.00 70.55 H new ATOM 0 HB2 LYS A 30 17.733 -3.103 -7.448 1.00 1.43 H new ATOM 0 HB3 LYS A 30 18.620 -2.102 -8.580 1.00 1.43 H new ATOM 0 HG2 LYS A 30 15.682 -2.804 -8.901 1.00 14.40 H new ATOM 0 HG3 LYS A 30 16.255 -1.352 -8.105 1.00 14.40 H new ATOM 0 HD2 LYS A 30 17.171 -0.462 -10.102 1.00 0.51 H new ATOM 0 HD3 LYS A 30 17.199 -2.022 -10.900 1.00 0.51 H new ATOM 0 HE2 LYS A 30 14.659 -2.023 -10.818 1.00 34.25 H new ATOM 0 HE3 LYS A 30 14.731 -0.382 -10.207 1.00 34.25 H new ATOM 0 HZ1 LYS A 30 14.410 -0.415 -12.593 1.00 72.42 H new ATOM 0 HZ2 LYS A 30 15.910 0.287 -12.220 1.00 72.42 H new ATOM 0 HZ3 LYS A 30 15.840 -1.303 -12.812 1.00 72.42 H new ATOM 478 N PHE A 31 20.471 -3.700 -9.120 1.00 64.20 N ATOM 479 CA PHE A 31 21.849 -3.572 -9.580 1.00 24.32 C ATOM 480 C PHE A 31 22.701 -4.733 -9.074 1.00 5.30 C ATOM 481 O PHE A 31 22.329 -5.423 -8.125 1.00 1.32 O ATOM 482 CB PHE A 31 22.445 -2.244 -9.109 1.00 63.00 C ATOM 483 CG PHE A 31 21.411 -1.208 -8.773 1.00 34.51 C ATOM 484 CD1 PHE A 31 20.790 -1.206 -7.534 1.00 24.40 C ATOM 485 CD2 PHE A 31 21.058 -0.237 -9.696 1.00 71.42 C ATOM 486 CE1 PHE A 31 19.838 -0.255 -7.221 1.00 40.42 C ATOM 487 CE2 PHE A 31 20.107 0.717 -9.389 1.00 13.10 C ATOM 488 CZ PHE A 31 19.495 0.708 -8.151 1.00 21.35 C ATOM 0 H PHE A 31 20.353 -3.607 -8.111 1.00 64.20 H new ATOM 0 HA PHE A 31 21.846 -3.594 -10.670 1.00 24.32 H new ATOM 0 HB2 PHE A 31 23.065 -2.425 -8.231 1.00 63.00 H new ATOM 0 HB3 PHE A 31 23.100 -1.853 -9.887 1.00 63.00 H new ATOM 0 HD1 PHE A 31 21.054 -1.957 -6.804 1.00 24.40 H new ATOM 0 HD2 PHE A 31 21.532 -0.226 -10.667 1.00 71.42 H new ATOM 0 HE1 PHE A 31 19.363 -0.264 -6.251 1.00 40.42 H new ATOM 0 HE2 PHE A 31 19.842 1.470 -10.117 1.00 13.10 H new ATOM 0 HZ PHE A 31 18.750 1.452 -7.910 1.00 21.35 H new ATOM 498 N ASP A 32 23.846 -4.941 -9.715 1.00 21.50 N ATOM 499 CA ASP A 32 24.752 -6.018 -9.331 1.00 3.52 C ATOM 500 C ASP A 32 25.996 -5.462 -8.644 1.00 52.50 C ATOM 501 O ASP A 32 26.719 -6.189 -7.965 1.00 44.22 O ATOM 502 CB ASP A 32 25.155 -6.836 -10.558 1.00 64.32 C ATOM 503 CG ASP A 32 25.397 -5.970 -11.778 1.00 53.45 C ATOM 504 OD1 ASP A 32 26.518 -5.437 -11.916 1.00 62.32 O ATOM 505 OD2 ASP A 32 24.464 -5.824 -12.596 1.00 64.42 O ATOM 0 H ASP A 32 24.169 -4.379 -10.502 1.00 21.50 H new ATOM 0 HA ASP A 32 24.229 -6.666 -8.628 1.00 3.52 H new ATOM 0 HB2 ASP A 32 26.059 -7.402 -10.333 1.00 64.32 H new ATOM 0 HB3 ASP A 32 24.372 -7.561 -10.780 1.00 64.32 H new ATOM 510 N ASN A 33 26.238 -4.167 -8.827 1.00 31.52 N ATOM 511 CA ASN A 33 27.395 -3.514 -8.226 1.00 61.10 C ATOM 512 C ASN A 33 26.965 -2.333 -7.361 1.00 31.41 C ATOM 513 O ASN A 33 27.768 -1.456 -7.045 1.00 2.44 O ATOM 514 CB ASN A 33 28.360 -3.039 -9.314 1.00 3.31 C ATOM 515 CG ASN A 33 29.779 -3.518 -9.077 1.00 45.13 C ATOM 516 OD1 ASN A 33 30.437 -4.021 -9.989 1.00 12.42 O ATOM 517 ND2 ASN A 33 30.259 -3.364 -7.848 1.00 74.04 N ATOM 0 H ASN A 33 25.649 -3.550 -9.386 1.00 31.52 H new ATOM 0 HA ASN A 33 27.902 -4.240 -7.591 1.00 61.10 H new ATOM 0 HB2 ASN A 33 28.015 -3.398 -10.284 1.00 3.31 H new ATOM 0 HB3 ASN A 33 28.349 -1.950 -9.355 1.00 3.31 H new ATOM 0 HD21 ASN A 33 31.208 -3.668 -7.629 1.00 74.04 H new ATOM 0 HD22 ASN A 33 29.679 -2.942 -7.123 1.00 74.04 H new ATOM 524 N LYS A 34 25.692 -2.319 -6.980 1.00 50.34 N ATOM 525 CA LYS A 34 25.153 -1.248 -6.150 1.00 44.10 C ATOM 526 C LYS A 34 24.156 -1.796 -5.135 1.00 30.14 C ATOM 527 O LYS A 34 23.330 -1.057 -4.598 1.00 5.20 O ATOM 528 CB LYS A 34 24.478 -0.188 -7.023 1.00 70.13 C ATOM 529 CG LYS A 34 25.353 0.312 -8.159 1.00 45.31 C ATOM 530 CD LYS A 34 26.453 1.230 -7.653 1.00 5.14 C ATOM 531 CE LYS A 34 27.399 1.637 -8.772 1.00 41.41 C ATOM 532 NZ LYS A 34 27.016 2.945 -9.374 1.00 21.24 N ATOM 0 H LYS A 34 25.014 -3.038 -7.233 1.00 50.34 H new ATOM 0 HA LYS A 34 25.981 -0.790 -5.609 1.00 44.10 H new ATOM 0 HB2 LYS A 34 23.560 -0.603 -7.439 1.00 70.13 H new ATOM 0 HB3 LYS A 34 24.191 0.657 -6.397 1.00 70.13 H new ATOM 0 HG2 LYS A 34 25.797 -0.537 -8.678 1.00 45.31 H new ATOM 0 HG3 LYS A 34 24.739 0.844 -8.885 1.00 45.31 H new ATOM 0 HD2 LYS A 34 26.009 2.121 -7.209 1.00 5.14 H new ATOM 0 HD3 LYS A 34 27.014 0.727 -6.866 1.00 5.14 H new ATOM 0 HE2 LYS A 34 28.415 1.700 -8.383 1.00 41.41 H new ATOM 0 HE3 LYS A 34 27.400 0.868 -9.544 1.00 41.41 H new ATOM 0 HZ1 LYS A 34 27.685 3.187 -10.133 1.00 21.24 H new ATOM 0 HZ2 LYS A 34 26.056 2.878 -9.768 1.00 21.24 H new ATOM 0 HZ3 LYS A 34 27.040 3.684 -8.643 1.00 21.24 H new ATOM 546 N LYS A 35 24.238 -3.096 -4.874 1.00 23.42 N ATOM 547 CA LYS A 35 23.345 -3.744 -3.920 1.00 62.15 C ATOM 548 C LYS A 35 23.590 -3.226 -2.507 1.00 24.42 C ATOM 549 O LYS A 35 24.592 -2.559 -2.244 1.00 35.21 O ATOM 550 CB LYS A 35 23.538 -5.262 -3.960 1.00 12.22 C ATOM 551 CG LYS A 35 24.961 -5.702 -3.662 1.00 73.22 C ATOM 552 CD LYS A 35 25.367 -6.891 -4.517 1.00 34.22 C ATOM 553 CE LYS A 35 25.182 -8.203 -3.770 1.00 22.31 C ATOM 554 NZ LYS A 35 26.415 -8.602 -3.036 1.00 0.44 N ATOM 0 H LYS A 35 24.914 -3.723 -5.310 1.00 23.42 H new ATOM 0 HA LYS A 35 22.319 -3.507 -4.201 1.00 62.15 H new ATOM 0 HB2 LYS A 35 22.865 -5.725 -3.238 1.00 12.22 H new ATOM 0 HB3 LYS A 35 23.251 -5.631 -4.945 1.00 12.22 H new ATOM 0 HG2 LYS A 35 25.645 -4.872 -3.842 1.00 73.22 H new ATOM 0 HG3 LYS A 35 25.049 -5.964 -2.608 1.00 73.22 H new ATOM 0 HD2 LYS A 35 24.772 -6.904 -5.430 1.00 34.22 H new ATOM 0 HD3 LYS A 35 26.410 -6.786 -4.817 1.00 34.22 H new ATOM 0 HE2 LYS A 35 24.355 -8.107 -3.066 1.00 22.31 H new ATOM 0 HE3 LYS A 35 24.910 -8.988 -4.476 1.00 22.31 H new ATOM 0 HZ1 LYS A 35 26.248 -9.501 -2.540 1.00 0.44 H new ATOM 0 HZ2 LYS A 35 27.198 -8.719 -3.710 1.00 0.44 H new ATOM 0 HZ3 LYS A 35 26.661 -7.865 -2.344 1.00 0.44 H new ATOM 568 N CYS A 36 22.671 -3.539 -1.599 1.00 44.14 N ATOM 569 CA CYS A 36 22.788 -3.107 -0.212 1.00 12.40 C ATOM 570 C CYS A 36 24.161 -3.457 0.354 1.00 61.14 C ATOM 571 O CYS A 36 24.487 -4.630 0.543 1.00 40.44 O ATOM 572 CB CYS A 36 21.693 -3.753 0.639 1.00 23.42 C ATOM 573 SG CYS A 36 20.117 -2.840 0.643 1.00 2.12 S ATOM 0 H CYS A 36 21.837 -4.091 -1.800 1.00 44.14 H new ATOM 0 HA CYS A 36 22.669 -2.024 -0.184 1.00 12.40 H new ATOM 0 HB2 CYS A 36 21.514 -4.764 0.274 1.00 23.42 H new ATOM 0 HB3 CYS A 36 22.051 -3.843 1.665 1.00 23.42 H new ATOM 578 N THR A 37 24.964 -2.432 0.622 1.00 14.35 N ATOM 579 CA THR A 37 26.301 -2.630 1.165 1.00 25.24 C ATOM 580 C THR A 37 26.446 -1.963 2.528 1.00 4.22 C ATOM 581 O THR A 37 27.421 -1.256 2.785 1.00 64.23 O ATOM 582 CB THR A 37 27.381 -2.075 0.217 1.00 53.40 C ATOM 583 OG1 THR A 37 27.073 -0.721 -0.136 1.00 22.32 O ATOM 584 CG2 THR A 37 27.482 -2.922 -1.042 1.00 44.24 C ATOM 0 H THR A 37 24.711 -1.456 0.471 1.00 14.35 H new ATOM 0 HA THR A 37 26.441 -3.706 1.273 1.00 25.24 H new ATOM 0 HB THR A 37 28.340 -2.106 0.735 1.00 53.40 H new ATOM 0 HG1 THR A 37 27.765 -0.374 -0.737 1.00 22.32 H new ATOM 0 HG21 THR A 37 28.251 -2.511 -1.696 1.00 44.24 H new ATOM 0 HG22 THR A 37 27.744 -3.945 -0.772 1.00 44.24 H new ATOM 0 HG23 THR A 37 26.524 -2.918 -1.561 1.00 44.24 H new ATOM 592 N LYS A 38 25.471 -2.192 3.401 1.00 54.45 N ATOM 593 CA LYS A 38 25.490 -1.614 4.739 1.00 34.33 C ATOM 594 C LYS A 38 24.503 -2.332 5.655 1.00 4.03 C ATOM 595 O LYS A 38 23.559 -2.970 5.189 1.00 45.24 O ATOM 596 CB LYS A 38 25.153 -0.123 4.679 1.00 41.33 C ATOM 597 CG LYS A 38 26.278 0.775 5.165 1.00 71.13 C ATOM 598 CD LYS A 38 26.273 0.904 6.679 1.00 45.34 C ATOM 599 CE LYS A 38 27.479 0.216 7.300 1.00 0.24 C ATOM 600 NZ LYS A 38 27.232 -0.160 8.720 1.00 71.32 N ATOM 0 H LYS A 38 24.657 -2.775 3.205 1.00 54.45 H new ATOM 0 HA LYS A 38 26.494 -1.737 5.146 1.00 34.33 H new ATOM 0 HB2 LYS A 38 24.905 0.144 3.652 1.00 41.33 H new ATOM 0 HB3 LYS A 38 24.264 0.064 5.281 1.00 41.33 H new ATOM 0 HG2 LYS A 38 27.235 0.371 4.836 1.00 71.13 H new ATOM 0 HG3 LYS A 38 26.177 1.762 4.714 1.00 71.13 H new ATOM 0 HD2 LYS A 38 26.272 1.958 6.956 1.00 45.34 H new ATOM 0 HD3 LYS A 38 25.358 0.468 7.080 1.00 45.34 H new ATOM 0 HE2 LYS A 38 27.724 -0.677 6.725 1.00 0.24 H new ATOM 0 HE3 LYS A 38 28.343 0.878 7.244 1.00 0.24 H new ATOM 0 HZ1 LYS A 38 28.132 -0.157 9.241 1.00 71.32 H new ATOM 0 HZ2 LYS A 38 26.579 0.525 9.152 1.00 71.32 H new ATOM 0 HZ3 LYS A 38 26.812 -1.111 8.759 1.00 71.32 H new ATOM 614 N ASP A 39 24.728 -2.222 6.960 1.00 33.31 N ATOM 615 CA ASP A 39 23.857 -2.859 7.942 1.00 40.23 C ATOM 616 C ASP A 39 22.746 -1.909 8.379 1.00 31.40 C ATOM 617 O ASP A 39 23.010 -0.807 8.857 1.00 65.03 O ATOM 618 CB ASP A 39 24.668 -3.310 9.158 1.00 53.42 C ATOM 619 CG ASP A 39 25.569 -4.489 8.848 1.00 35.02 C ATOM 620 OD1 ASP A 39 25.097 -5.439 8.188 1.00 43.33 O ATOM 621 OD2 ASP A 39 26.745 -4.462 9.266 1.00 71.14 O ATOM 0 H ASP A 39 25.505 -1.698 7.362 1.00 33.31 H new ATOM 0 HA ASP A 39 23.401 -3.732 7.475 1.00 40.23 H new ATOM 0 HB2 ASP A 39 25.274 -2.478 9.516 1.00 53.42 H new ATOM 0 HB3 ASP A 39 23.987 -3.579 9.966 1.00 53.42 H new ATOM 626 N ASN A 40 21.502 -2.345 8.211 1.00 73.41 N ATOM 627 CA ASN A 40 20.350 -1.534 8.587 1.00 51.52 C ATOM 628 C ASN A 40 20.281 -0.264 7.743 1.00 33.14 C ATOM 629 O ASN A 40 19.947 0.809 8.245 1.00 62.34 O ATOM 630 CB ASN A 40 20.419 -1.170 10.071 1.00 11.34 C ATOM 631 CG ASN A 40 20.764 -2.362 10.943 1.00 11.53 C ATOM 632 OD1 ASN A 40 21.928 -2.746 11.056 1.00 0.22 O ATOM 633 ND2 ASN A 40 19.750 -2.953 11.565 1.00 43.21 N ATOM 0 H ASN A 40 21.266 -3.256 7.817 1.00 73.41 H new ATOM 0 HA ASN A 40 19.449 -2.120 8.405 1.00 51.52 H new ATOM 0 HB2 ASN A 40 21.165 -0.389 10.216 1.00 11.34 H new ATOM 0 HB3 ASN A 40 19.460 -0.758 10.386 1.00 11.34 H new ATOM 0 HD21 ASN A 40 19.920 -3.760 12.166 1.00 43.21 H new ATOM 0 HD22 ASN A 40 18.801 -2.600 11.442 1.00 43.21 H new ATOM 640 N ASN A 41 20.598 -0.395 6.459 1.00 33.33 N ATOM 641 CA ASN A 41 20.572 0.741 5.546 1.00 55.04 C ATOM 642 C ASN A 41 19.144 1.057 5.111 1.00 35.02 C ATOM 643 O ASN A 41 18.181 0.531 5.672 1.00 44.54 O ATOM 644 CB ASN A 41 21.438 0.455 4.318 1.00 64.13 C ATOM 645 CG ASN A 41 20.921 -0.716 3.505 1.00 53.25 C ATOM 646 OD1 ASN A 41 19.958 -0.583 2.749 1.00 73.50 O ATOM 647 ND2 ASN A 41 21.559 -1.870 3.657 1.00 63.15 N ATOM 0 H ASN A 41 20.876 -1.277 6.028 1.00 33.33 H new ATOM 0 HA ASN A 41 20.973 1.607 6.072 1.00 55.04 H new ATOM 0 HB2 ASN A 41 21.474 1.343 3.688 1.00 64.13 H new ATOM 0 HB3 ASN A 41 22.460 0.249 4.637 1.00 64.13 H new ATOM 0 HD21 ASN A 41 21.256 -2.693 3.136 1.00 63.15 H new ATOM 0 HD22 ASN A 41 22.352 -1.934 4.295 1.00 63.15 H new ATOM 654 N LYS A 42 19.013 1.919 4.108 1.00 30.24 N ATOM 655 CA LYS A 42 17.704 2.305 3.596 1.00 34.40 C ATOM 656 C LYS A 42 17.412 1.609 2.270 1.00 13.41 C ATOM 657 O LYS A 42 18.030 1.912 1.249 1.00 2.23 O ATOM 658 CB LYS A 42 17.631 3.823 3.415 1.00 31.50 C ATOM 659 CG LYS A 42 18.198 4.603 4.588 1.00 31.23 C ATOM 660 CD LYS A 42 17.909 6.089 4.462 1.00 54.15 C ATOM 661 CE LYS A 42 18.079 6.806 5.792 1.00 31.44 C ATOM 662 NZ LYS A 42 19.455 7.351 5.957 1.00 71.33 N ATOM 0 H LYS A 42 19.799 2.364 3.633 1.00 30.24 H new ATOM 0 HA LYS A 42 16.952 1.996 4.322 1.00 34.40 H new ATOM 0 HB2 LYS A 42 18.172 4.099 2.510 1.00 31.50 H new ATOM 0 HB3 LYS A 42 16.591 4.113 3.265 1.00 31.50 H new ATOM 0 HG2 LYS A 42 17.771 4.226 5.517 1.00 31.23 H new ATOM 0 HG3 LYS A 42 19.275 4.445 4.645 1.00 31.23 H new ATOM 0 HD2 LYS A 42 18.578 6.529 3.722 1.00 54.15 H new ATOM 0 HD3 LYS A 42 16.892 6.233 4.098 1.00 54.15 H new ATOM 0 HE2 LYS A 42 17.356 7.619 5.861 1.00 31.44 H new ATOM 0 HE3 LYS A 42 17.862 6.116 6.607 1.00 31.44 H new ATOM 0 HZ1 LYS A 42 19.530 7.832 6.876 1.00 71.33 H new ATOM 0 HZ2 LYS A 42 20.144 6.573 5.916 1.00 71.33 H new ATOM 0 HZ3 LYS A 42 19.654 8.029 5.194 1.00 71.33 H new ATOM 676 N CYS A 43 16.465 0.677 2.292 1.00 40.22 N ATOM 677 CA CYS A 43 16.090 -0.061 1.092 1.00 51.43 C ATOM 678 C CYS A 43 14.624 -0.480 1.147 1.00 31.53 C ATOM 679 O CYS A 43 14.123 -0.892 2.194 1.00 30.33 O ATOM 680 CB CYS A 43 16.979 -1.295 0.927 1.00 3.44 C ATOM 681 SG CYS A 43 16.690 -2.591 2.174 1.00 31.01 S ATOM 0 H CYS A 43 15.943 0.415 3.128 1.00 40.22 H new ATOM 0 HA CYS A 43 16.230 0.596 0.234 1.00 51.43 H new ATOM 0 HB2 CYS A 43 16.816 -1.717 -0.065 1.00 3.44 H new ATOM 0 HB3 CYS A 43 18.023 -0.986 0.974 1.00 3.44 H new ATOM 686 N THR A 44 13.940 -0.374 0.012 1.00 11.42 N ATOM 687 CA THR A 44 12.532 -0.741 -0.069 1.00 52.31 C ATOM 688 C THR A 44 12.340 -2.005 -0.899 1.00 43.34 C ATOM 689 O THR A 44 13.295 -2.541 -1.461 1.00 63.14 O ATOM 690 CB THR A 44 11.690 0.394 -0.681 1.00 53.53 C ATOM 691 OG1 THR A 44 12.192 0.732 -1.979 1.00 70.01 O ATOM 692 CG2 THR A 44 11.710 1.626 0.212 1.00 63.30 C ATOM 0 H THR A 44 14.339 -0.037 -0.864 1.00 11.42 H new ATOM 0 HA THR A 44 12.194 -0.925 0.951 1.00 52.31 H new ATOM 0 HB THR A 44 10.661 0.045 -0.769 1.00 53.53 H new ATOM 0 HG1 THR A 44 12.020 1.680 -2.160 1.00 70.01 H new ATOM 0 HG21 THR A 44 11.108 2.414 -0.241 1.00 63.30 H new ATOM 0 HG22 THR A 44 11.300 1.373 1.190 1.00 63.30 H new ATOM 0 HG23 THR A 44 12.736 1.975 0.328 1.00 63.30 H new ATOM 700 N VAL A 45 11.100 -2.476 -0.973 1.00 73.34 N ATOM 701 CA VAL A 45 10.783 -3.677 -1.737 1.00 55.03 C ATOM 702 C VAL A 45 9.365 -3.615 -2.295 1.00 42.15 C ATOM 703 O VAL A 45 8.404 -3.402 -1.556 1.00 4.13 O ATOM 704 CB VAL A 45 10.928 -4.945 -0.875 1.00 71.24 C ATOM 705 CG1 VAL A 45 10.546 -6.181 -1.675 1.00 73.31 C ATOM 706 CG2 VAL A 45 12.346 -5.065 -0.339 1.00 44.31 C ATOM 0 H VAL A 45 10.298 -2.045 -0.513 1.00 73.34 H new ATOM 0 HA VAL A 45 11.494 -3.724 -2.562 1.00 55.03 H new ATOM 0 HB VAL A 45 10.248 -4.866 -0.026 1.00 71.24 H new ATOM 0 HG11 VAL A 45 10.655 -7.067 -1.050 1.00 73.31 H new ATOM 0 HG12 VAL A 45 9.511 -6.095 -2.006 1.00 73.31 H new ATOM 0 HG13 VAL A 45 11.198 -6.268 -2.544 1.00 73.31 H new ATOM 0 HG21 VAL A 45 12.431 -5.966 0.268 1.00 44.31 H new ATOM 0 HG22 VAL A 45 13.046 -5.122 -1.172 1.00 44.31 H new ATOM 0 HG23 VAL A 45 12.579 -4.193 0.272 1.00 44.31 H new ATOM 716 N ASP A 46 9.242 -3.803 -3.605 1.00 4.42 N ATOM 717 CA ASP A 46 7.942 -3.770 -4.263 1.00 54.42 C ATOM 718 C ASP A 46 7.416 -5.182 -4.499 1.00 60.22 C ATOM 719 O ASP A 46 8.094 -6.017 -5.100 1.00 10.24 O ATOM 720 CB ASP A 46 8.038 -3.019 -5.592 1.00 72.25 C ATOM 721 CG ASP A 46 7.019 -1.902 -5.702 1.00 35.31 C ATOM 722 OD1 ASP A 46 5.916 -2.047 -5.133 1.00 1.33 O ATOM 723 OD2 ASP A 46 7.324 -0.883 -6.356 1.00 35.31 O ATOM 0 H ASP A 46 10.027 -3.980 -4.231 1.00 4.42 H new ATOM 0 HA ASP A 46 7.245 -3.247 -3.609 1.00 54.42 H new ATOM 0 HB2 ASP A 46 9.040 -2.604 -5.700 1.00 72.25 H new ATOM 0 HB3 ASP A 46 7.893 -3.721 -6.414 1.00 72.25 H new ATOM 728 N THR A 47 6.203 -5.444 -4.022 1.00 22.51 N ATOM 729 CA THR A 47 5.587 -6.756 -4.179 1.00 24.05 C ATOM 730 C THR A 47 4.610 -6.768 -5.348 1.00 62.44 C ATOM 731 O THR A 47 3.713 -7.609 -5.411 1.00 53.04 O ATOM 732 CB THR A 47 4.844 -7.184 -2.899 1.00 62.21 C ATOM 733 OG1 THR A 47 4.443 -8.555 -3.001 1.00 52.11 O ATOM 734 CG2 THR A 47 3.622 -6.309 -2.664 1.00 44.23 C ATOM 0 H THR A 47 5.628 -4.765 -3.524 1.00 22.51 H new ATOM 0 HA THR A 47 6.393 -7.463 -4.376 1.00 24.05 H new ATOM 0 HB THR A 47 5.523 -7.066 -2.055 1.00 62.21 H new ATOM 0 HG1 THR A 47 4.028 -8.710 -3.875 1.00 52.11 H new ATOM 0 HG21 THR A 47 3.114 -6.630 -1.755 1.00 44.23 H new ATOM 0 HG22 THR A 47 3.934 -5.270 -2.558 1.00 44.23 H new ATOM 0 HG23 THR A 47 2.942 -6.399 -3.511 1.00 44.23 H new ATOM 742 N TYR A 48 4.790 -5.832 -6.273 1.00 62.13 N ATOM 743 CA TYR A 48 3.923 -5.735 -7.441 1.00 54.51 C ATOM 744 C TYR A 48 4.722 -5.903 -8.729 1.00 62.04 C ATOM 745 O TYR A 48 4.269 -6.547 -9.675 1.00 11.14 O ATOM 746 CB TYR A 48 3.196 -4.389 -7.451 1.00 55.13 C ATOM 747 CG TYR A 48 1.960 -4.375 -8.323 1.00 43.42 C ATOM 748 CD1 TYR A 48 2.055 -4.156 -9.692 1.00 41.22 C ATOM 749 CD2 TYR A 48 0.699 -4.579 -7.778 1.00 53.24 C ATOM 750 CE1 TYR A 48 0.929 -4.141 -10.493 1.00 24.12 C ATOM 751 CE2 TYR A 48 -0.432 -4.567 -8.572 1.00 32.44 C ATOM 752 CZ TYR A 48 -0.312 -4.348 -9.928 1.00 2.10 C ATOM 753 OH TYR A 48 -1.436 -4.334 -10.721 1.00 72.33 O ATOM 0 H TYR A 48 5.529 -5.130 -6.237 1.00 62.13 H new ATOM 0 HA TYR A 48 3.188 -6.538 -7.384 1.00 54.51 H new ATOM 0 HB2 TYR A 48 2.913 -4.131 -6.430 1.00 55.13 H new ATOM 0 HB3 TYR A 48 3.883 -3.617 -7.797 1.00 55.13 H new ATOM 0 HD1 TYR A 48 3.025 -3.995 -10.138 1.00 41.22 H new ATOM 0 HD2 TYR A 48 0.601 -4.750 -6.716 1.00 53.24 H new ATOM 0 HE1 TYR A 48 1.020 -3.968 -11.555 1.00 24.12 H new ATOM 0 HE2 TYR A 48 -1.405 -4.728 -8.132 1.00 32.44 H new ATOM 0 HH TYR A 48 -2.229 -4.497 -10.168 1.00 72.33 H new ATOM 763 N ASN A 49 5.916 -5.319 -8.758 1.00 32.10 N ATOM 764 CA ASN A 49 6.780 -5.404 -9.929 1.00 43.25 C ATOM 765 C ASN A 49 8.210 -5.752 -9.526 1.00 60.15 C ATOM 766 O ASN A 49 9.142 -5.602 -10.315 1.00 71.24 O ATOM 767 CB ASN A 49 6.763 -4.081 -10.698 1.00 61.14 C ATOM 768 CG ASN A 49 7.716 -3.058 -10.111 1.00 65.41 C ATOM 769 OD1 ASN A 49 8.798 -2.821 -10.648 1.00 64.55 O ATOM 770 ND2 ASN A 49 7.318 -2.447 -9.002 1.00 11.13 N ATOM 0 H ASN A 49 6.307 -4.782 -7.984 1.00 32.10 H new ATOM 0 HA ASN A 49 6.400 -6.197 -10.573 1.00 43.25 H new ATOM 0 HB2 ASN A 49 7.029 -4.266 -11.739 1.00 61.14 H new ATOM 0 HB3 ASN A 49 5.751 -3.675 -10.695 1.00 61.14 H new ATOM 0 HD21 ASN A 49 7.917 -1.750 -8.561 1.00 11.13 H new ATOM 0 HD22 ASN A 49 6.413 -2.675 -8.591 1.00 11.13 H new ATOM 777 N ASN A 50 8.374 -6.218 -8.293 1.00 23.33 N ATOM 778 CA ASN A 50 9.690 -6.588 -7.784 1.00 63.35 C ATOM 779 C ASN A 50 10.692 -5.457 -7.995 1.00 24.21 C ATOM 780 O ASN A 50 11.503 -5.497 -8.920 1.00 4.15 O ATOM 781 CB ASN A 50 10.187 -7.860 -8.475 1.00 24.15 C ATOM 782 CG ASN A 50 11.207 -8.610 -7.639 1.00 72.42 C ATOM 783 OD1 ASN A 50 11.396 -8.316 -6.459 1.00 31.32 O ATOM 784 ND2 ASN A 50 11.870 -9.586 -8.250 1.00 54.51 N ATOM 0 H ASN A 50 7.612 -6.349 -7.627 1.00 23.33 H new ATOM 0 HA ASN A 50 9.600 -6.775 -6.714 1.00 63.35 H new ATOM 0 HB2 ASN A 50 9.339 -8.513 -8.682 1.00 24.15 H new ATOM 0 HB3 ASN A 50 10.630 -7.599 -9.436 1.00 24.15 H new ATOM 0 HD21 ASN A 50 12.568 -10.126 -7.739 1.00 54.51 H new ATOM 0 HD22 ASN A 50 11.681 -9.795 -9.230 1.00 54.51 H new ATOM 791 N ALA A 51 10.630 -4.450 -7.130 1.00 21.32 N ATOM 792 CA ALA A 51 11.533 -3.310 -7.219 1.00 2.32 C ATOM 793 C ALA A 51 12.172 -3.009 -5.867 1.00 42.44 C ATOM 794 O ALA A 51 11.478 -2.837 -4.865 1.00 71.33 O ATOM 795 CB ALA A 51 10.790 -2.087 -7.738 1.00 22.45 C ATOM 0 H ALA A 51 9.963 -4.401 -6.359 1.00 21.32 H new ATOM 0 HA ALA A 51 12.329 -3.562 -7.920 1.00 2.32 H new ATOM 0 HB1 ALA A 51 11.477 -1.243 -7.799 1.00 22.45 H new ATOM 0 HB2 ALA A 51 10.387 -2.299 -8.728 1.00 22.45 H new ATOM 0 HB3 ALA A 51 9.974 -1.842 -7.059 1.00 22.45 H new ATOM 801 N VAL A 52 13.500 -2.946 -5.846 1.00 71.15 N ATOM 802 CA VAL A 52 14.233 -2.665 -4.618 1.00 32.33 C ATOM 803 C VAL A 52 14.941 -1.317 -4.696 1.00 71.50 C ATOM 804 O VAL A 52 15.375 -0.894 -5.767 1.00 61.14 O ATOM 805 CB VAL A 52 15.272 -3.762 -4.321 1.00 22.51 C ATOM 806 CG1 VAL A 52 16.276 -3.869 -5.459 1.00 32.40 C ATOM 807 CG2 VAL A 52 15.977 -3.485 -3.002 1.00 22.12 C ATOM 0 H VAL A 52 14.090 -3.086 -6.666 1.00 71.15 H new ATOM 0 HA VAL A 52 13.501 -2.641 -3.811 1.00 32.33 H new ATOM 0 HB VAL A 52 14.752 -4.716 -4.236 1.00 22.51 H new ATOM 0 HG11 VAL A 52 17.002 -4.649 -5.231 1.00 32.40 H new ATOM 0 HG12 VAL A 52 15.754 -4.118 -6.383 1.00 32.40 H new ATOM 0 HG13 VAL A 52 16.792 -2.917 -5.579 1.00 32.40 H new ATOM 0 HG21 VAL A 52 16.708 -4.270 -2.808 1.00 22.12 H new ATOM 0 HG22 VAL A 52 16.485 -2.522 -3.056 1.00 22.12 H new ATOM 0 HG23 VAL A 52 15.244 -3.464 -2.195 1.00 22.12 H new ATOM 817 N ASP A 53 15.054 -0.648 -3.554 1.00 44.03 N ATOM 818 CA ASP A 53 15.712 0.652 -3.492 1.00 52.35 C ATOM 819 C ASP A 53 16.964 0.588 -2.623 1.00 72.53 C ATOM 820 O ASP A 53 17.226 1.488 -1.825 1.00 51.04 O ATOM 821 CB ASP A 53 14.750 1.708 -2.945 1.00 41.33 C ATOM 822 CG ASP A 53 15.233 3.122 -3.206 1.00 21.44 C ATOM 823 OD1 ASP A 53 15.372 3.890 -2.231 1.00 50.51 O ATOM 824 OD2 ASP A 53 15.473 3.459 -4.384 1.00 21.53 O ATOM 0 H ASP A 53 14.699 -0.984 -2.659 1.00 44.03 H new ATOM 0 HA ASP A 53 16.008 0.930 -4.503 1.00 52.35 H new ATOM 0 HB2 ASP A 53 13.769 1.572 -3.400 1.00 41.33 H new ATOM 0 HB3 ASP A 53 14.626 1.562 -1.872 1.00 41.33 H new ATOM 829 N CYS A 54 17.733 -0.484 -2.782 1.00 45.14 N ATOM 830 CA CYS A 54 18.957 -0.668 -2.012 1.00 23.21 C ATOM 831 C CYS A 54 19.893 0.525 -2.184 1.00 20.05 C ATOM 832 O CYS A 54 20.062 1.040 -3.289 1.00 3.33 O ATOM 833 CB CYS A 54 19.667 -1.953 -2.442 1.00 63.25 C ATOM 834 SG CYS A 54 19.933 -2.089 -4.240 1.00 24.35 S ATOM 0 H CYS A 54 17.530 -1.239 -3.437 1.00 45.14 H new ATOM 0 HA CYS A 54 18.685 -0.746 -0.959 1.00 23.21 H new ATOM 0 HB2 CYS A 54 20.632 -2.009 -1.937 1.00 63.25 H new ATOM 0 HB3 CYS A 54 19.082 -2.809 -2.106 1.00 63.25 H new ATOM 839 N ASP A 55 20.498 0.958 -1.083 1.00 51.21 N ATOM 840 CA ASP A 55 21.418 2.089 -1.111 1.00 53.50 C ATOM 841 C ASP A 55 22.486 1.895 -2.182 1.00 62.33 C ATOM 842 O ASP A 55 22.941 2.858 -2.802 1.00 30.53 O ATOM 843 CB ASP A 55 22.077 2.272 0.257 1.00 52.30 C ATOM 844 CG ASP A 55 21.493 3.439 1.030 1.00 73.42 C ATOM 845 OD1 ASP A 55 20.299 3.372 1.392 1.00 2.43 O ATOM 846 OD2 ASP A 55 22.229 4.417 1.273 1.00 42.02 O ATOM 0 H ASP A 55 20.368 0.543 -0.160 1.00 51.21 H new ATOM 0 HA ASP A 55 20.846 2.985 -1.353 1.00 53.50 H new ATOM 0 HB2 ASP A 55 21.958 1.358 0.839 1.00 52.30 H new ATOM 0 HB3 ASP A 55 23.148 2.428 0.123 1.00 52.30 H new TER 851 ASP A 55