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= -2.17 K(o=-2.6,f=0.87) USER MOD Set 1.2: A 24 THR OG1 : rot -150:sc= -0.441 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 140:sc= -0.181 (180deg=-2.52!) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.283 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= -2.72 K(o=-2.7,f=-6.1!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 165:sc= -0.237 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= -0.147 X(o=-0.15,f=-0.0084) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.27 X(o=-0.27,f=-0.27) USER MOD Single : A 41 ASN : amide:sc= 0.0154 K(o=0.015,f=0.82) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -160:sc= -0.784 USER MOD Single : A 47 THR OG1 : rot -50:sc= 0.912 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.727 K(o=-0.73,f=-0.052) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.055) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.637 0.622 -3.576 1.00 3.45 N ATOM 2 CA ALA A 1 2.004 -0.507 -2.730 1.00 44.21 C ATOM 3 C ALA A 1 3.511 -0.739 -2.748 1.00 64.24 C ATOM 4 O ALA A 1 4.066 -1.206 -3.743 1.00 63.42 O ATOM 5 CB ALA A 1 1.270 -1.762 -3.177 1.00 55.23 C ATOM 0 H1 ALA A 1 0.606 0.758 -3.546 1.00 3.45 H new ATOM 0 H2 ALA A 1 2.110 1.482 -3.232 1.00 3.45 H new ATOM 0 H3 ALA A 1 1.933 0.433 -4.555 1.00 3.45 H new ATOM 0 HA ALA A 1 1.711 -0.273 -1.707 1.00 44.21 H new ATOM 0 HB1 ALA A 1 1.554 -2.597 -2.536 1.00 55.23 H new ATOM 0 HB2 ALA A 1 0.195 -1.599 -3.106 1.00 55.23 H new ATOM 0 HB3 ALA A 1 1.535 -1.990 -4.209 1.00 55.23 H new ATOM 11 N LYS A 2 4.170 -0.409 -1.642 1.00 74.42 N ATOM 12 CA LYS A 2 5.613 -0.582 -1.530 1.00 30.41 C ATOM 13 C LYS A 2 6.021 -0.827 -0.080 1.00 55.44 C ATOM 14 O LYS A 2 5.341 -0.387 0.848 1.00 64.31 O ATOM 15 CB LYS A 2 6.339 0.650 -2.074 1.00 51.11 C ATOM 16 CG LYS A 2 7.497 0.315 -2.998 1.00 1.31 C ATOM 17 CD LYS A 2 8.837 0.572 -2.328 1.00 53.44 C ATOM 18 CE LYS A 2 9.317 1.995 -2.572 1.00 25.22 C ATOM 19 NZ LYS A 2 9.455 2.759 -1.301 1.00 30.20 N ATOM 0 H LYS A 2 3.727 -0.020 -0.810 1.00 74.42 H new ATOM 0 HA LYS A 2 5.896 -1.453 -2.121 1.00 30.41 H new ATOM 0 HB2 LYS A 2 5.625 1.274 -2.612 1.00 51.11 H new ATOM 0 HB3 LYS A 2 6.712 1.241 -1.237 1.00 51.11 H new ATOM 0 HG2 LYS A 2 7.434 -0.731 -3.298 1.00 1.31 H new ATOM 0 HG3 LYS A 2 7.423 0.912 -3.907 1.00 1.31 H new ATOM 0 HD2 LYS A 2 8.749 0.395 -1.256 1.00 53.44 H new ATOM 0 HD3 LYS A 2 9.576 -0.133 -2.708 1.00 53.44 H new ATOM 0 HE2 LYS A 2 10.277 1.971 -3.088 1.00 25.22 H new ATOM 0 HE3 LYS A 2 8.615 2.508 -3.230 1.00 25.22 H new ATOM 0 HZ1 LYS A 2 10.312 3.346 -1.340 1.00 30.20 H new ATOM 0 HZ2 LYS A 2 8.623 3.369 -1.171 1.00 30.20 H new ATOM 0 HZ3 LYS A 2 9.526 2.096 -0.503 1.00 30.20 H new ATOM 33 N TYR A 3 7.133 -1.528 0.106 1.00 31.22 N ATOM 34 CA TYR A 3 7.630 -1.831 1.443 1.00 61.30 C ATOM 35 C TYR A 3 9.006 -1.211 1.666 1.00 11.12 C ATOM 36 O TYR A 3 9.806 -1.093 0.737 1.00 22.44 O ATOM 37 CB TYR A 3 7.701 -3.345 1.653 1.00 52.24 C ATOM 38 CG TYR A 3 6.404 -4.060 1.346 1.00 43.22 C ATOM 39 CD1 TYR A 3 5.269 -3.842 2.117 1.00 50.01 C ATOM 40 CD2 TYR A 3 6.315 -4.954 0.286 1.00 54.50 C ATOM 41 CE1 TYR A 3 4.082 -4.493 1.841 1.00 63.41 C ATOM 42 CE2 TYR A 3 5.132 -5.608 0.002 1.00 71.22 C ATOM 43 CZ TYR A 3 4.019 -5.375 0.782 1.00 33.01 C ATOM 44 OH TYR A 3 2.839 -6.026 0.503 1.00 20.32 O ATOM 0 H TYR A 3 7.708 -1.897 -0.652 1.00 31.22 H new ATOM 0 HA TYR A 3 6.936 -1.402 2.166 1.00 61.30 H new ATOM 0 HB2 TYR A 3 8.490 -3.754 1.022 1.00 52.24 H new ATOM 0 HB3 TYR A 3 7.982 -3.547 2.687 1.00 52.24 H new ATOM 0 HD1 TYR A 3 5.315 -3.152 2.946 1.00 50.01 H new ATOM 0 HD2 TYR A 3 7.185 -5.141 -0.326 1.00 54.50 H new ATOM 0 HE1 TYR A 3 3.209 -4.313 2.450 1.00 63.41 H new ATOM 0 HE2 TYR A 3 5.079 -6.298 -0.827 1.00 71.22 H new ATOM 0 HH TYR A 3 2.963 -6.610 -0.274 1.00 20.32 H new ATOM 54 N THR A 4 9.275 -0.815 2.906 1.00 3.04 N ATOM 55 CA THR A 4 10.553 -0.206 3.254 1.00 60.11 C ATOM 56 C THR A 4 11.249 -0.985 4.364 1.00 1.54 C ATOM 57 O THR A 4 10.619 -1.393 5.338 1.00 33.45 O ATOM 58 CB THR A 4 10.375 1.257 3.702 1.00 72.21 C ATOM 59 OG1 THR A 4 9.792 2.026 2.644 1.00 61.33 O ATOM 60 CG2 THR A 4 11.710 1.866 4.103 1.00 53.41 C ATOM 0 H THR A 4 8.625 -0.905 3.687 1.00 3.04 H new ATOM 0 HA THR A 4 11.170 -0.230 2.356 1.00 60.11 H new ATOM 0 HB THR A 4 9.713 1.271 4.568 1.00 72.21 H new ATOM 0 HG1 THR A 4 9.681 2.954 2.937 1.00 61.33 H new ATOM 0 HG21 THR A 4 11.559 2.899 4.416 1.00 53.41 H new ATOM 0 HG22 THR A 4 12.137 1.296 4.928 1.00 53.41 H new ATOM 0 HG23 THR A 4 12.392 1.840 3.253 1.00 53.41 H new ATOM 68 N GLY A 5 12.555 -1.186 4.211 1.00 14.23 N ATOM 69 CA GLY A 5 13.315 -1.915 5.210 1.00 51.43 C ATOM 70 C GLY A 5 14.805 -1.657 5.106 1.00 11.41 C ATOM 71 O GLY A 5 15.229 -0.617 4.600 1.00 24.44 O ATOM 0 H GLY A 5 13.100 -0.857 3.414 1.00 14.23 H new ATOM 0 HA2 GLY A 5 12.969 -1.632 6.204 1.00 51.43 H new ATOM 0 HA3 GLY A 5 13.125 -2.983 5.099 1.00 51.43 H new ATOM 75 N LYS A 6 15.603 -2.604 5.588 1.00 53.23 N ATOM 76 CA LYS A 6 17.055 -2.475 5.548 1.00 75.21 C ATOM 77 C LYS A 6 17.706 -3.790 5.130 1.00 51.41 C ATOM 78 O LYS A 6 17.165 -4.868 5.377 1.00 63.25 O ATOM 79 CB LYS A 6 17.586 -2.043 6.916 1.00 4.41 C ATOM 80 CG LYS A 6 16.752 -0.960 7.579 1.00 73.43 C ATOM 81 CD LYS A 6 15.660 -1.555 8.452 1.00 55.10 C ATOM 82 CE LYS A 6 15.981 -1.398 9.930 1.00 31.34 C ATOM 83 NZ LYS A 6 14.922 -1.990 10.794 1.00 55.41 N ATOM 0 H LYS A 6 15.268 -3.470 6.011 1.00 53.23 H new ATOM 0 HA LYS A 6 17.308 -1.714 4.810 1.00 75.21 H new ATOM 0 HB2 LYS A 6 17.625 -2.912 7.572 1.00 4.41 H new ATOM 0 HB3 LYS A 6 18.609 -1.684 6.802 1.00 4.41 H new ATOM 0 HG2 LYS A 6 17.396 -0.322 8.184 1.00 73.43 H new ATOM 0 HG3 LYS A 6 16.303 -0.326 6.815 1.00 73.43 H new ATOM 0 HD2 LYS A 6 14.710 -1.068 8.231 1.00 55.10 H new ATOM 0 HD3 LYS A 6 15.539 -2.612 8.215 1.00 55.10 H new ATOM 0 HE2 LYS A 6 16.936 -1.876 10.147 1.00 31.34 H new ATOM 0 HE3 LYS A 6 16.093 -0.340 10.167 1.00 31.34 H new ATOM 0 HZ1 LYS A 6 15.178 -1.862 11.794 1.00 55.41 H new ATOM 0 HZ2 LYS A 6 14.015 -1.516 10.606 1.00 55.41 H new ATOM 0 HZ3 LYS A 6 14.832 -3.005 10.587 1.00 55.41 H new ATOM 97 N CYS A 7 18.870 -3.693 4.497 1.00 5.34 N ATOM 98 CA CYS A 7 19.597 -4.874 4.046 1.00 13.50 C ATOM 99 C CYS A 7 20.833 -5.114 4.908 1.00 73.41 C ATOM 100 O CYS A 7 21.005 -4.490 5.955 1.00 2.12 O ATOM 101 CB CYS A 7 20.006 -4.717 2.580 1.00 1.32 C ATOM 102 SG CYS A 7 19.120 -3.392 1.698 1.00 12.13 S ATOM 0 H CYS A 7 19.331 -2.808 4.284 1.00 5.34 H new ATOM 0 HA CYS A 7 18.936 -5.736 4.142 1.00 13.50 H new ATOM 0 HB2 CYS A 7 21.077 -4.518 2.532 1.00 1.32 H new ATOM 0 HB3 CYS A 7 19.834 -5.661 2.063 1.00 1.32 H new ATOM 107 N THR A 8 21.692 -6.025 4.460 1.00 52.34 N ATOM 108 CA THR A 8 22.911 -6.349 5.189 1.00 61.42 C ATOM 109 C THR A 8 24.084 -6.551 4.236 1.00 21.34 C ATOM 110 O THR A 8 24.021 -7.374 3.323 1.00 60.04 O ATOM 111 CB THR A 8 22.734 -7.619 6.043 1.00 13.21 C ATOM 112 OG1 THR A 8 21.341 -7.905 6.212 1.00 12.10 O ATOM 113 CG2 THR A 8 23.391 -7.451 7.405 1.00 70.13 C ATOM 0 H THR A 8 21.565 -6.551 3.595 1.00 52.34 H new ATOM 0 HA THR A 8 23.121 -5.505 5.846 1.00 61.42 H new ATOM 0 HB THR A 8 23.215 -8.449 5.525 1.00 13.21 H new ATOM 0 HG1 THR A 8 21.237 -8.715 6.754 1.00 12.10 H new ATOM 0 HG21 THR A 8 23.253 -8.360 7.990 1.00 70.13 H new ATOM 0 HG22 THR A 8 24.456 -7.262 7.274 1.00 70.13 H new ATOM 0 HG23 THR A 8 22.935 -6.610 7.928 1.00 70.13 H new ATOM 121 N LYS A 9 25.155 -5.796 4.456 1.00 60.12 N ATOM 122 CA LYS A 9 26.345 -5.893 3.618 1.00 13.14 C ATOM 123 C LYS A 9 26.951 -7.291 3.693 1.00 14.24 C ATOM 124 O LYS A 9 27.753 -7.676 2.843 1.00 31.32 O ATOM 125 CB LYS A 9 27.382 -4.852 4.047 1.00 34.44 C ATOM 126 CG LYS A 9 28.042 -5.165 5.379 1.00 61.10 C ATOM 127 CD LYS A 9 29.399 -5.821 5.188 1.00 45.41 C ATOM 128 CE LYS A 9 29.786 -6.665 6.393 1.00 55.51 C ATOM 129 NZ LYS A 9 30.980 -7.510 6.118 1.00 3.03 N ATOM 0 H LYS A 9 25.224 -5.110 5.208 1.00 60.12 H new ATOM 0 HA LYS A 9 26.050 -5.699 2.587 1.00 13.14 H new ATOM 0 HB2 LYS A 9 28.151 -4.779 3.278 1.00 34.44 H new ATOM 0 HB3 LYS A 9 26.901 -3.876 4.110 1.00 34.44 H new ATOM 0 HG2 LYS A 9 28.159 -4.246 5.953 1.00 61.10 H new ATOM 0 HG3 LYS A 9 27.397 -5.824 5.960 1.00 61.10 H new ATOM 0 HD2 LYS A 9 29.379 -6.447 4.296 1.00 45.41 H new ATOM 0 HD3 LYS A 9 30.155 -5.053 5.022 1.00 45.41 H new ATOM 0 HE2 LYS A 9 29.990 -6.013 7.242 1.00 55.51 H new ATOM 0 HE3 LYS A 9 28.947 -7.302 6.675 1.00 55.51 H new ATOM 0 HZ1 LYS A 9 31.211 -8.070 6.963 1.00 3.03 H new ATOM 0 HZ2 LYS A 9 30.777 -8.150 5.324 1.00 3.03 H new ATOM 0 HZ3 LYS A 9 31.787 -6.901 5.874 1.00 3.03 H new ATOM 143 N SER A 10 26.560 -8.046 4.715 1.00 3.13 N ATOM 144 CA SER A 10 27.067 -9.400 4.902 1.00 21.41 C ATOM 145 C SER A 10 26.898 -10.224 3.629 1.00 33.22 C ATOM 146 O SER A 10 27.858 -10.462 2.897 1.00 64.41 O ATOM 147 CB SER A 10 26.343 -10.083 6.065 1.00 43.44 C ATOM 148 OG SER A 10 26.817 -9.605 7.312 1.00 45.55 O ATOM 0 H SER A 10 25.894 -7.743 5.426 1.00 3.13 H new ATOM 0 HA SER A 10 28.130 -9.334 5.133 1.00 21.41 H new ATOM 0 HB2 SER A 10 25.271 -9.902 5.986 1.00 43.44 H new ATOM 0 HB3 SER A 10 26.490 -11.161 6.006 1.00 43.44 H new ATOM 0 HG SER A 10 26.338 -10.055 8.039 1.00 45.55 H new ATOM 154 N LYS A 11 25.668 -10.657 3.372 1.00 63.25 N ATOM 155 CA LYS A 11 25.370 -11.454 2.187 1.00 14.42 C ATOM 156 C LYS A 11 24.255 -10.812 1.367 1.00 33.23 C ATOM 157 O LYS A 11 23.714 -11.427 0.449 1.00 23.42 O ATOM 158 CB LYS A 11 24.968 -12.874 2.591 1.00 71.24 C ATOM 159 CG LYS A 11 25.490 -13.945 1.648 1.00 0.30 C ATOM 160 CD LYS A 11 25.271 -15.339 2.211 1.00 1.35 C ATOM 161 CE LYS A 11 26.162 -16.363 1.526 1.00 60.31 C ATOM 162 NZ LYS A 11 26.517 -17.487 2.436 1.00 31.21 N ATOM 0 H LYS A 11 24.862 -10.470 3.968 1.00 63.25 H new ATOM 0 HA LYS A 11 26.269 -11.499 1.573 1.00 14.42 H new ATOM 0 HB2 LYS A 11 25.338 -13.075 3.596 1.00 71.24 H new ATOM 0 HB3 LYS A 11 23.881 -12.937 2.633 1.00 71.24 H new ATOM 0 HG2 LYS A 11 24.989 -13.858 0.684 1.00 0.30 H new ATOM 0 HG3 LYS A 11 26.554 -13.787 1.469 1.00 0.30 H new ATOM 0 HD2 LYS A 11 25.475 -15.336 3.282 1.00 1.35 H new ATOM 0 HD3 LYS A 11 24.226 -15.623 2.086 1.00 1.35 H new ATOM 0 HE2 LYS A 11 25.653 -16.756 0.645 1.00 60.31 H new ATOM 0 HE3 LYS A 11 27.073 -15.876 1.178 1.00 60.31 H new ATOM 0 HZ1 LYS A 11 27.125 -18.163 1.932 1.00 31.21 H new ATOM 0 HZ2 LYS A 11 27.025 -17.116 3.264 1.00 31.21 H new ATOM 0 HZ3 LYS A 11 25.649 -17.968 2.749 1.00 31.21 H new ATOM 176 N ASN A 12 23.917 -9.572 1.705 1.00 53.14 N ATOM 177 CA ASN A 12 22.867 -8.847 0.998 1.00 15.04 C ATOM 178 C ASN A 12 21.505 -9.493 1.237 1.00 40.04 C ATOM 179 O ASN A 12 21.311 -10.676 0.957 1.00 4.42 O ATOM 180 CB ASN A 12 23.168 -8.804 -0.501 1.00 53.31 C ATOM 181 CG ASN A 12 22.910 -7.436 -1.103 1.00 44.21 C ATOM 182 OD1 ASN A 12 23.080 -6.412 -0.441 1.00 14.12 O ATOM 183 ND2 ASN A 12 22.499 -7.413 -2.365 1.00 72.15 N ATOM 0 H ASN A 12 24.354 -9.048 2.463 1.00 53.14 H new ATOM 0 HA ASN A 12 22.839 -7.828 1.385 1.00 15.04 H new ATOM 0 HB2 ASN A 12 24.209 -9.081 -0.668 1.00 53.31 H new ATOM 0 HB3 ASN A 12 22.555 -9.545 -1.013 1.00 53.31 H new ATOM 0 HD21 ASN A 12 22.311 -6.522 -2.824 1.00 72.15 H new ATOM 0 HD22 ASN A 12 22.372 -8.287 -2.876 1.00 72.15 H new ATOM 190 N GLU A 13 20.566 -8.707 1.754 1.00 74.41 N ATOM 191 CA GLU A 13 19.222 -9.204 2.029 1.00 5.55 C ATOM 192 C GLU A 13 18.350 -8.106 2.632 1.00 40.01 C ATOM 193 O GLU A 13 18.340 -7.902 3.846 1.00 15.32 O ATOM 194 CB GLU A 13 19.282 -10.402 2.979 1.00 3.43 C ATOM 195 CG GLU A 13 18.415 -11.570 2.541 1.00 0.20 C ATOM 196 CD GLU A 13 18.274 -12.628 3.618 1.00 60.02 C ATOM 197 OE1 GLU A 13 18.582 -12.325 4.790 1.00 75.41 O ATOM 198 OE2 GLU A 13 17.857 -13.758 3.289 1.00 31.00 O ATOM 0 H GLU A 13 20.710 -7.725 1.991 1.00 74.41 H new ATOM 0 HA GLU A 13 18.778 -9.520 1.085 1.00 5.55 H new ATOM 0 HB2 GLU A 13 20.316 -10.738 3.061 1.00 3.43 H new ATOM 0 HB3 GLU A 13 18.971 -10.082 3.974 1.00 3.43 H new ATOM 0 HG2 GLU A 13 17.426 -11.201 2.268 1.00 0.20 H new ATOM 0 HG3 GLU A 13 18.845 -12.022 1.647 1.00 0.20 H new ATOM 205 N CYS A 14 17.619 -7.402 1.774 1.00 4.42 N ATOM 206 CA CYS A 14 16.744 -6.324 2.219 1.00 2.02 C ATOM 207 C CYS A 14 15.477 -6.882 2.860 1.00 73.20 C ATOM 208 O CYS A 14 14.711 -7.605 2.222 1.00 40.23 O ATOM 209 CB CYS A 14 16.377 -5.418 1.042 1.00 3.24 C ATOM 210 SG CYS A 14 15.446 -3.925 1.515 1.00 34.53 S ATOM 0 H CYS A 14 17.615 -7.559 0.766 1.00 4.42 H new ATOM 0 HA CYS A 14 17.281 -5.739 2.966 1.00 2.02 H new ATOM 0 HB2 CYS A 14 17.291 -5.116 0.531 1.00 3.24 H new ATOM 0 HB3 CYS A 14 15.786 -5.990 0.327 1.00 3.24 H new ATOM 215 N LYS A 15 15.261 -6.542 4.126 1.00 3.41 N ATOM 216 CA LYS A 15 14.087 -7.006 4.855 1.00 72.14 C ATOM 217 C LYS A 15 12.870 -6.146 4.530 1.00 53.01 C ATOM 218 O LYS A 15 13.004 -5.011 4.071 1.00 60.40 O ATOM 219 CB LYS A 15 14.354 -6.983 6.361 1.00 13.14 C ATOM 220 CG LYS A 15 13.315 -7.736 7.175 1.00 42.03 C ATOM 221 CD LYS A 15 12.323 -6.788 7.827 1.00 10.10 C ATOM 222 CE LYS A 15 12.929 -6.091 9.036 1.00 65.45 C ATOM 223 NZ LYS A 15 11.917 -5.842 10.098 1.00 34.34 N ATOM 0 H LYS A 15 15.885 -5.946 4.669 1.00 3.41 H new ATOM 0 HA LYS A 15 13.879 -8.030 4.545 1.00 72.14 H new ATOM 0 HB2 LYS A 15 15.336 -7.414 6.554 1.00 13.14 H new ATOM 0 HB3 LYS A 15 14.388 -5.948 6.700 1.00 13.14 H new ATOM 0 HG2 LYS A 15 12.782 -8.434 6.530 1.00 42.03 H new ATOM 0 HG3 LYS A 15 13.813 -8.328 7.943 1.00 42.03 H new ATOM 0 HD2 LYS A 15 11.999 -6.043 7.101 1.00 10.10 H new ATOM 0 HD3 LYS A 15 11.435 -7.342 8.132 1.00 10.10 H new ATOM 0 HE2 LYS A 15 13.737 -6.702 9.440 1.00 65.45 H new ATOM 0 HE3 LYS A 15 13.370 -5.144 8.726 1.00 65.45 H new ATOM 0 HZ1 LYS A 15 12.370 -5.366 10.904 1.00 34.34 H new ATOM 0 HZ2 LYS A 15 11.159 -5.238 9.720 1.00 34.34 H new ATOM 0 HZ3 LYS A 15 11.514 -6.748 10.413 1.00 34.34 H new ATOM 237 N TYR A 16 11.683 -6.692 4.772 1.00 24.32 N ATOM 238 CA TYR A 16 10.443 -5.975 4.505 1.00 54.15 C ATOM 239 C TYR A 16 9.236 -6.775 4.986 1.00 1.33 C ATOM 240 O TYR A 16 9.379 -7.775 5.690 1.00 64.04 O ATOM 241 CB TYR A 16 10.310 -5.682 3.009 1.00 65.41 C ATOM 242 CG TYR A 16 9.942 -6.896 2.185 1.00 44.41 C ATOM 243 CD1 TYR A 16 8.665 -7.040 1.657 1.00 0.43 C ATOM 244 CD2 TYR A 16 10.871 -7.898 1.935 1.00 43.03 C ATOM 245 CE1 TYR A 16 8.324 -8.147 0.904 1.00 12.44 C ATOM 246 CE2 TYR A 16 10.539 -9.008 1.182 1.00 44.52 C ATOM 247 CZ TYR A 16 9.265 -9.127 0.669 1.00 34.40 C ATOM 248 OH TYR A 16 8.930 -10.232 -0.080 1.00 54.13 O ATOM 0 H TYR A 16 11.554 -7.629 5.153 1.00 24.32 H new ATOM 0 HA TYR A 16 10.474 -5.033 5.052 1.00 54.15 H new ATOM 0 HB2 TYR A 16 9.553 -4.912 2.864 1.00 65.41 H new ATOM 0 HB3 TYR A 16 11.252 -5.276 2.642 1.00 65.41 H new ATOM 0 HD1 TYR A 16 7.926 -6.273 1.838 1.00 0.43 H new ATOM 0 HD2 TYR A 16 11.870 -7.808 2.336 1.00 43.03 H new ATOM 0 HE1 TYR A 16 7.326 -8.244 0.502 1.00 12.44 H new ATOM 0 HE2 TYR A 16 11.273 -9.778 0.996 1.00 44.52 H new ATOM 0 HH TYR A 16 9.746 -10.702 -0.353 1.00 54.13 H new ATOM 258 N LYS A 17 8.046 -6.327 4.602 1.00 52.33 N ATOM 259 CA LYS A 17 6.812 -6.999 4.991 1.00 21.40 C ATOM 260 C LYS A 17 5.999 -7.397 3.764 1.00 73.35 C ATOM 261 O LYS A 17 5.851 -6.615 2.825 1.00 22.52 O ATOM 262 CB LYS A 17 5.977 -6.093 5.898 1.00 53.44 C ATOM 263 CG LYS A 17 5.723 -4.714 5.312 1.00 24.23 C ATOM 264 CD LYS A 17 5.236 -3.740 6.371 1.00 14.32 C ATOM 265 CE LYS A 17 3.736 -3.510 6.268 1.00 14.14 C ATOM 266 NZ LYS A 17 3.088 -3.463 7.609 1.00 65.42 N ATOM 0 H LYS A 17 7.910 -5.500 4.021 1.00 52.33 H new ATOM 0 HA LYS A 17 7.078 -7.904 5.538 1.00 21.40 H new ATOM 0 HB2 LYS A 17 5.020 -6.575 6.098 1.00 53.44 H new ATOM 0 HB3 LYS A 17 6.485 -5.984 6.856 1.00 53.44 H new ATOM 0 HG2 LYS A 17 6.640 -4.335 4.861 1.00 24.23 H new ATOM 0 HG3 LYS A 17 4.983 -4.787 4.515 1.00 24.23 H new ATOM 0 HD2 LYS A 17 5.479 -4.126 7.361 1.00 14.32 H new ATOM 0 HD3 LYS A 17 5.759 -2.790 6.262 1.00 14.32 H new ATOM 0 HE2 LYS A 17 3.547 -2.575 5.741 1.00 14.14 H new ATOM 0 HE3 LYS A 17 3.286 -4.307 5.675 1.00 14.14 H new ATOM 0 HZ1 LYS A 17 2.066 -3.305 7.496 1.00 65.42 H new ATOM 0 HZ2 LYS A 17 3.246 -4.365 8.103 1.00 65.42 H new ATOM 0 HZ3 LYS A 17 3.499 -2.687 8.166 1.00 65.42 H new ATOM 280 N ASN A 18 5.472 -8.617 3.778 1.00 32.44 N ATOM 281 CA ASN A 18 4.672 -9.118 2.666 1.00 21.24 C ATOM 282 C ASN A 18 3.423 -9.832 3.173 1.00 74.10 C ATOM 283 O ASN A 18 3.333 -10.189 4.348 1.00 74.33 O ATOM 284 CB ASN A 18 5.502 -10.070 1.802 1.00 11.13 C ATOM 285 CG ASN A 18 5.382 -11.513 2.253 1.00 42.11 C ATOM 286 OD1 ASN A 18 5.056 -12.397 1.461 1.00 33.10 O ATOM 287 ND2 ASN A 18 5.647 -11.757 3.531 1.00 33.22 N ATOM 0 H ASN A 18 5.585 -9.277 4.547 1.00 32.44 H new ATOM 0 HA ASN A 18 4.362 -8.266 2.061 1.00 21.24 H new ATOM 0 HB2 ASN A 18 5.180 -9.989 0.764 1.00 11.13 H new ATOM 0 HB3 ASN A 18 6.549 -9.768 1.835 1.00 11.13 H new ATOM 0 HD21 ASN A 18 5.584 -12.709 3.892 1.00 33.22 H new ATOM 0 HD22 ASN A 18 5.914 -10.993 4.152 1.00 33.22 H new ATOM 294 N ASP A 19 2.462 -10.037 2.279 1.00 73.11 N ATOM 295 CA ASP A 19 1.218 -10.710 2.634 1.00 13.02 C ATOM 296 C ASP A 19 0.355 -9.822 3.526 1.00 61.23 C ATOM 297 O ASP A 19 -0.678 -9.311 3.095 1.00 11.34 O ATOM 298 CB ASP A 19 1.513 -12.033 3.343 1.00 12.31 C ATOM 299 CG ASP A 19 0.954 -13.227 2.595 1.00 24.53 C ATOM 300 OD1 ASP A 19 1.723 -14.178 2.336 1.00 53.51 O ATOM 301 OD2 ASP A 19 -0.251 -13.213 2.270 1.00 11.03 O ATOM 0 H ASP A 19 2.521 -9.747 1.303 1.00 73.11 H new ATOM 0 HA ASP A 19 0.669 -10.914 1.715 1.00 13.02 H new ATOM 0 HB2 ASP A 19 2.591 -12.150 3.454 1.00 12.31 H new ATOM 0 HB3 ASP A 19 1.090 -12.006 4.347 1.00 12.31 H new ATOM 306 N ALA A 20 0.786 -9.645 4.770 1.00 4.22 N ATOM 307 CA ALA A 20 0.054 -8.818 5.722 1.00 63.51 C ATOM 308 C ALA A 20 0.928 -8.453 6.917 1.00 12.12 C ATOM 309 O ALA A 20 0.439 -8.318 8.038 1.00 74.21 O ATOM 310 CB ALA A 20 -1.204 -9.537 6.186 1.00 54.34 C ATOM 0 H ALA A 20 1.638 -10.063 5.143 1.00 4.22 H new ATOM 0 HA ALA A 20 -0.233 -7.894 5.219 1.00 63.51 H new ATOM 0 HB1 ALA A 20 -1.741 -8.909 6.896 1.00 54.34 H new ATOM 0 HB2 ALA A 20 -1.843 -9.742 5.327 1.00 54.34 H new ATOM 0 HB3 ALA A 20 -0.930 -10.476 6.667 1.00 54.34 H new ATOM 316 N GLY A 21 2.225 -8.294 6.670 1.00 33.23 N ATOM 317 CA GLY A 21 3.146 -7.946 7.737 1.00 73.55 C ATOM 318 C GLY A 21 4.164 -9.038 8.002 1.00 40.52 C ATOM 319 O GLY A 21 4.940 -8.955 8.954 1.00 21.10 O ATOM 0 H GLY A 21 2.654 -8.400 5.751 1.00 33.23 H new ATOM 0 HA2 GLY A 21 3.666 -7.024 7.478 1.00 73.55 H new ATOM 0 HA3 GLY A 21 2.583 -7.749 8.649 1.00 73.55 H new ATOM 323 N LYS A 22 4.162 -10.065 7.159 1.00 55.42 N ATOM 324 CA LYS A 22 5.091 -11.178 7.306 1.00 63.01 C ATOM 325 C LYS A 22 6.521 -10.736 7.009 1.00 73.11 C ATOM 326 O LYS A 22 6.790 -10.130 5.972 1.00 63.03 O ATOM 327 CB LYS A 22 4.697 -12.325 6.373 1.00 32.42 C ATOM 328 CG LYS A 22 4.134 -13.534 7.100 1.00 23.45 C ATOM 329 CD LYS A 22 4.623 -14.834 6.483 1.00 41.22 C ATOM 330 CE LYS A 22 6.022 -15.188 6.964 1.00 33.32 C ATOM 331 NZ LYS A 22 6.921 -15.553 5.835 1.00 62.21 N ATOM 0 H LYS A 22 3.526 -10.149 6.366 1.00 55.42 H new ATOM 0 HA LYS A 22 5.043 -11.525 8.338 1.00 63.01 H new ATOM 0 HB2 LYS A 22 3.957 -11.964 5.659 1.00 32.42 H new ATOM 0 HB3 LYS A 22 5.571 -12.631 5.798 1.00 32.42 H new ATOM 0 HG2 LYS A 22 4.425 -13.496 8.150 1.00 23.45 H new ATOM 0 HG3 LYS A 22 3.045 -13.503 7.070 1.00 23.45 H new ATOM 0 HD2 LYS A 22 3.935 -15.640 6.737 1.00 41.22 H new ATOM 0 HD3 LYS A 22 4.622 -14.745 5.397 1.00 41.22 H new ATOM 0 HE2 LYS A 22 6.445 -14.342 7.506 1.00 33.32 H new ATOM 0 HE3 LYS A 22 5.965 -16.020 7.666 1.00 33.32 H new ATOM 0 HZ1 LYS A 22 7.865 -15.787 6.204 1.00 62.21 H new ATOM 0 HZ2 LYS A 22 6.531 -16.376 5.333 1.00 62.21 H new ATOM 0 HZ3 LYS A 22 6.996 -14.751 5.178 1.00 62.21 H new ATOM 345 N ASP A 23 7.433 -11.044 7.924 1.00 34.43 N ATOM 346 CA ASP A 23 8.835 -10.681 7.759 1.00 63.11 C ATOM 347 C ASP A 23 9.475 -11.483 6.629 1.00 13.35 C ATOM 348 O ASP A 23 9.590 -12.706 6.709 1.00 21.23 O ATOM 349 CB ASP A 23 9.601 -10.913 9.062 1.00 2.44 C ATOM 350 CG ASP A 23 8.971 -10.195 10.240 1.00 74.33 C ATOM 351 OD1 ASP A 23 8.387 -9.111 10.031 1.00 44.30 O ATOM 352 OD2 ASP A 23 9.059 -10.719 11.370 1.00 44.12 O ATOM 0 H ASP A 23 7.226 -11.545 8.788 1.00 34.43 H new ATOM 0 HA ASP A 23 8.883 -9.623 7.502 1.00 63.11 H new ATOM 0 HB2 ASP A 23 9.641 -11.982 9.271 1.00 2.44 H new ATOM 0 HB3 ASP A 23 10.630 -10.573 8.941 1.00 2.44 H new ATOM 357 N THR A 24 9.889 -10.785 5.576 1.00 35.10 N ATOM 358 CA THR A 24 10.514 -11.431 4.429 1.00 20.32 C ATOM 359 C THR A 24 11.794 -10.710 4.022 1.00 33.10 C ATOM 360 O THR A 24 11.892 -9.488 4.134 1.00 52.12 O ATOM 361 CB THR A 24 9.559 -11.480 3.222 1.00 50.44 C ATOM 362 OG1 THR A 24 8.360 -12.179 3.573 1.00 13.31 O ATOM 363 CG2 THR A 24 10.221 -12.163 2.035 1.00 62.30 C ATOM 0 H THR A 24 9.803 -9.772 5.494 1.00 35.10 H new ATOM 0 HA THR A 24 10.755 -12.450 4.733 1.00 20.32 H new ATOM 0 HB THR A 24 9.313 -10.456 2.941 1.00 50.44 H new ATOM 0 HG1 THR A 24 7.993 -12.619 2.778 1.00 13.31 H new ATOM 0 HG21 THR A 24 9.527 -12.186 1.195 1.00 62.30 H new ATOM 0 HG22 THR A 24 11.117 -11.611 1.751 1.00 62.30 H new ATOM 0 HG23 THR A 24 10.494 -13.182 2.308 1.00 62.30 H new ATOM 371 N PHE A 25 12.773 -11.474 3.549 1.00 52.23 N ATOM 372 CA PHE A 25 14.048 -10.907 3.125 1.00 53.24 C ATOM 373 C PHE A 25 14.286 -11.155 1.638 1.00 54.31 C ATOM 374 O PHE A 25 14.042 -12.252 1.134 1.00 5.32 O ATOM 375 CB PHE A 25 15.194 -11.506 3.943 1.00 53.42 C ATOM 376 CG PHE A 25 14.946 -11.488 5.424 1.00 13.01 C ATOM 377 CD1 PHE A 25 14.204 -12.490 6.028 1.00 73.44 C ATOM 378 CD2 PHE A 25 15.454 -10.469 6.213 1.00 42.42 C ATOM 379 CE1 PHE A 25 13.974 -12.477 7.391 1.00 71.44 C ATOM 380 CE2 PHE A 25 15.228 -10.451 7.576 1.00 1.42 C ATOM 381 CZ PHE A 25 14.486 -11.455 8.166 1.00 61.54 C ATOM 0 H PHE A 25 12.708 -12.487 3.450 1.00 52.23 H new ATOM 0 HA PHE A 25 14.013 -9.831 3.295 1.00 53.24 H new ATOM 0 HB2 PHE A 25 15.359 -12.535 3.623 1.00 53.42 H new ATOM 0 HB3 PHE A 25 16.110 -10.954 3.729 1.00 53.42 H new ATOM 0 HD1 PHE A 25 13.800 -13.291 5.427 1.00 73.44 H new ATOM 0 HD2 PHE A 25 16.033 -9.680 5.758 1.00 42.42 H new ATOM 0 HE1 PHE A 25 13.395 -13.265 7.849 1.00 71.44 H new ATOM 0 HE2 PHE A 25 15.632 -9.652 8.180 1.00 1.42 H new ATOM 0 HZ PHE A 25 14.306 -11.441 9.231 1.00 61.54 H new ATOM 391 N ILE A 26 14.761 -10.128 0.942 1.00 45.22 N ATOM 392 CA ILE A 26 15.033 -10.234 -0.486 1.00 53.24 C ATOM 393 C ILE A 26 16.319 -9.504 -0.857 1.00 64.32 C ATOM 394 O ILE A 26 16.499 -8.332 -0.527 1.00 23.15 O ATOM 395 CB ILE A 26 13.873 -9.663 -1.324 1.00 33.25 C ATOM 396 CG1 ILE A 26 14.151 -9.853 -2.816 1.00 54.11 C ATOM 397 CG2 ILE A 26 13.661 -8.191 -1.002 1.00 22.45 C ATOM 398 CD1 ILE A 26 14.367 -11.297 -3.212 1.00 3.24 C ATOM 0 H ILE A 26 14.965 -9.213 1.344 1.00 45.22 H new ATOM 0 HA ILE A 26 15.143 -11.296 -0.708 1.00 53.24 H new ATOM 0 HB ILE A 26 12.961 -10.205 -1.072 1.00 33.25 H new ATOM 0 HG12 ILE A 26 13.315 -9.449 -3.387 1.00 54.11 H new ATOM 0 HG13 ILE A 26 15.033 -9.274 -3.089 1.00 54.11 H new ATOM 0 HG21 ILE A 26 12.838 -7.802 -1.602 1.00 22.45 H new ATOM 0 HG22 ILE A 26 13.422 -8.081 0.056 1.00 22.45 H new ATOM 0 HG23 ILE A 26 14.570 -7.634 -1.229 1.00 22.45 H new ATOM 0 HD11 ILE A 26 14.559 -11.356 -4.283 1.00 3.24 H new ATOM 0 HD12 ILE A 26 15.221 -11.700 -2.668 1.00 3.24 H new ATOM 0 HD13 ILE A 26 13.477 -11.878 -2.970 1.00 3.24 H new ATOM 410 N LYS A 27 17.212 -10.205 -1.548 1.00 62.11 N ATOM 411 CA LYS A 27 18.482 -9.625 -1.968 1.00 41.21 C ATOM 412 C LYS A 27 18.256 -8.420 -2.875 1.00 40.43 C ATOM 413 O LYS A 27 17.134 -7.930 -3.006 1.00 52.10 O ATOM 414 CB LYS A 27 19.329 -10.672 -2.695 1.00 3.22 C ATOM 415 CG LYS A 27 18.749 -11.104 -4.030 1.00 55.10 C ATOM 416 CD LYS A 27 19.600 -10.619 -5.192 1.00 20.45 C ATOM 417 CE LYS A 27 20.495 -11.727 -5.727 1.00 0.25 C ATOM 418 NZ LYS A 27 20.246 -11.992 -7.171 1.00 21.25 N ATOM 0 H LYS A 27 17.079 -11.176 -1.829 1.00 62.11 H new ATOM 0 HA LYS A 27 19.013 -9.292 -1.076 1.00 41.21 H new ATOM 0 HB2 LYS A 27 20.329 -10.270 -2.856 1.00 3.22 H new ATOM 0 HB3 LYS A 27 19.437 -11.548 -2.055 1.00 3.22 H new ATOM 0 HG2 LYS A 27 18.675 -12.191 -4.061 1.00 55.10 H new ATOM 0 HG3 LYS A 27 17.737 -10.713 -4.131 1.00 55.10 H new ATOM 0 HD2 LYS A 27 18.954 -10.254 -5.990 1.00 20.45 H new ATOM 0 HD3 LYS A 27 20.214 -9.778 -4.869 1.00 20.45 H new ATOM 0 HE2 LYS A 27 21.540 -11.451 -5.583 1.00 0.25 H new ATOM 0 HE3 LYS A 27 20.325 -12.639 -5.156 1.00 0.25 H new ATOM 0 HZ1 LYS A 27 20.875 -12.753 -7.498 1.00 21.25 H new ATOM 0 HZ2 LYS A 27 19.256 -12.280 -7.305 1.00 21.25 H new ATOM 0 HZ3 LYS A 27 20.433 -11.129 -7.720 1.00 21.25 H new ATOM 432 N CYS A 28 19.328 -7.947 -3.501 1.00 45.52 N ATOM 433 CA CYS A 28 19.248 -6.799 -4.397 1.00 75.43 C ATOM 434 C CYS A 28 19.514 -7.217 -5.841 1.00 13.12 C ATOM 435 O CYS A 28 20.579 -6.959 -6.401 1.00 62.24 O ATOM 436 CB CYS A 28 20.249 -5.723 -3.973 1.00 54.13 C ATOM 437 SG CYS A 28 19.703 -4.021 -4.323 1.00 54.41 S ATOM 0 H CYS A 28 20.264 -8.341 -3.404 1.00 45.52 H new ATOM 0 HA CYS A 28 18.239 -6.391 -4.335 1.00 75.43 H new ATOM 0 HB2 CYS A 28 20.439 -5.820 -2.904 1.00 54.13 H new ATOM 0 HB3 CYS A 28 21.196 -5.902 -4.483 1.00 54.13 H new ATOM 442 N PRO A 29 18.523 -7.877 -6.458 1.00 33.31 N ATOM 443 CA PRO A 29 18.625 -8.344 -7.844 1.00 3.12 C ATOM 444 C PRO A 29 18.615 -7.194 -8.845 1.00 15.20 C ATOM 445 O PRO A 29 19.019 -7.355 -9.997 1.00 30.34 O ATOM 446 CB PRO A 29 17.379 -9.216 -8.018 1.00 3.24 C ATOM 447 CG PRO A 29 16.406 -8.689 -7.020 1.00 41.03 C ATOM 448 CD PRO A 29 17.226 -8.219 -5.850 1.00 55.25 C ATOM 0 HA PRO A 29 19.560 -8.873 -8.028 1.00 3.12 H new ATOM 0 HB2 PRO A 29 16.984 -9.145 -9.032 1.00 3.24 H new ATOM 0 HB3 PRO A 29 17.603 -10.267 -7.836 1.00 3.24 H new ATOM 0 HG2 PRO A 29 15.821 -7.871 -7.440 1.00 41.03 H new ATOM 0 HG3 PRO A 29 15.701 -9.463 -6.717 1.00 41.03 H new ATOM 0 HD2 PRO A 29 16.772 -7.357 -5.361 1.00 55.25 H new ATOM 0 HD3 PRO A 29 17.329 -8.997 -5.093 1.00 55.25 H new ATOM 456 N LYS A 30 18.150 -6.032 -8.399 1.00 54.31 N ATOM 457 CA LYS A 30 18.087 -4.853 -9.255 1.00 4.22 C ATOM 458 C LYS A 30 19.476 -4.471 -9.756 1.00 43.34 C ATOM 459 O LYS A 30 19.763 -4.561 -10.950 1.00 73.04 O ATOM 460 CB LYS A 30 17.467 -3.678 -8.495 1.00 72.04 C ATOM 461 CG LYS A 30 16.248 -3.086 -9.182 1.00 2.32 C ATOM 462 CD LYS A 30 15.923 -1.702 -8.645 1.00 4.21 C ATOM 463 CE LYS A 30 14.467 -1.337 -8.889 1.00 21.12 C ATOM 464 NZ LYS A 30 13.737 -1.088 -7.615 1.00 72.11 N ATOM 0 H LYS A 30 17.811 -5.881 -7.449 1.00 54.31 H new ATOM 0 HA LYS A 30 17.462 -5.092 -10.115 1.00 4.22 H new ATOM 0 HB2 LYS A 30 17.185 -4.010 -7.496 1.00 72.04 H new ATOM 0 HB3 LYS A 30 18.219 -2.898 -8.372 1.00 72.04 H new ATOM 0 HG2 LYS A 30 16.427 -3.028 -10.256 1.00 2.32 H new ATOM 0 HG3 LYS A 30 15.392 -3.744 -9.036 1.00 2.32 H new ATOM 0 HD2 LYS A 30 16.134 -1.667 -7.576 1.00 4.21 H new ATOM 0 HD3 LYS A 30 16.569 -0.965 -9.122 1.00 4.21 H new ATOM 0 HE2 LYS A 30 14.416 -0.447 -9.517 1.00 21.12 H new ATOM 0 HE3 LYS A 30 13.978 -2.142 -9.437 1.00 21.12 H new ATOM 0 HZ1 LYS A 30 12.748 -0.842 -7.824 1.00 72.11 H new ATOM 0 HZ2 LYS A 30 13.764 -1.945 -7.026 1.00 72.11 H new ATOM 0 HZ3 LYS A 30 14.188 -0.303 -7.104 1.00 72.11 H new ATOM 478 N PHE A 31 20.336 -4.045 -8.837 1.00 1.12 N ATOM 479 CA PHE A 31 21.696 -3.650 -9.186 1.00 54.31 C ATOM 480 C PHE A 31 22.706 -4.680 -8.690 1.00 50.01 C ATOM 481 O PHE A 31 22.422 -5.452 -7.774 1.00 63.44 O ATOM 482 CB PHE A 31 22.018 -2.276 -8.594 1.00 22.21 C ATOM 483 CG PHE A 31 20.801 -1.438 -8.326 1.00 30.24 C ATOM 484 CD1 PHE A 31 20.366 -0.507 -9.255 1.00 21.02 C ATOM 485 CD2 PHE A 31 20.092 -1.581 -7.144 1.00 31.32 C ATOM 486 CE1 PHE A 31 19.246 0.266 -9.011 1.00 61.53 C ATOM 487 CE2 PHE A 31 18.971 -0.812 -6.895 1.00 1.01 C ATOM 488 CZ PHE A 31 18.548 0.113 -7.829 1.00 44.42 C ATOM 0 H PHE A 31 20.115 -3.964 -7.844 1.00 1.12 H new ATOM 0 HA PHE A 31 21.764 -3.595 -10.272 1.00 54.31 H new ATOM 0 HB2 PHE A 31 22.569 -2.411 -7.663 1.00 22.21 H new ATOM 0 HB3 PHE A 31 22.675 -1.739 -9.278 1.00 22.21 H new ATOM 0 HD1 PHE A 31 20.908 -0.384 -10.181 1.00 21.02 H new ATOM 0 HD2 PHE A 31 20.419 -2.302 -6.409 1.00 31.32 H new ATOM 0 HE1 PHE A 31 18.917 0.988 -9.744 1.00 61.53 H new ATOM 0 HE2 PHE A 31 18.426 -0.934 -5.971 1.00 1.01 H new ATOM 0 HZ PHE A 31 17.673 0.716 -7.636 1.00 44.42 H new ATOM 498 N ASP A 32 23.885 -4.685 -9.302 1.00 21.22 N ATOM 499 CA ASP A 32 24.939 -5.620 -8.923 1.00 52.41 C ATOM 500 C ASP A 32 26.152 -4.876 -8.373 1.00 21.52 C ATOM 501 O ASP A 32 26.952 -5.440 -7.627 1.00 35.31 O ATOM 502 CB ASP A 32 25.349 -6.473 -10.124 1.00 44.44 C ATOM 503 CG ASP A 32 25.571 -7.926 -9.754 1.00 11.11 C ATOM 504 OD1 ASP A 32 26.558 -8.518 -10.238 1.00 64.10 O ATOM 505 OD2 ASP A 32 24.757 -8.471 -8.979 1.00 45.21 O ATOM 0 H ASP A 32 24.135 -4.053 -10.062 1.00 21.22 H new ATOM 0 HA ASP A 32 24.550 -6.272 -8.141 1.00 52.41 H new ATOM 0 HB2 ASP A 32 24.577 -6.410 -10.891 1.00 44.44 H new ATOM 0 HB3 ASP A 32 26.263 -6.068 -10.558 1.00 44.44 H new ATOM 510 N ASN A 33 26.283 -3.608 -8.747 1.00 54.12 N ATOM 511 CA ASN A 33 27.400 -2.788 -8.292 1.00 55.23 C ATOM 512 C ASN A 33 26.917 -1.681 -7.360 1.00 23.15 C ATOM 513 O ASN A 33 27.704 -1.092 -6.618 1.00 40.43 O ATOM 514 CB ASN A 33 28.132 -2.178 -9.489 1.00 64.21 C ATOM 515 CG ASN A 33 29.486 -2.819 -9.726 1.00 21.31 C ATOM 516 OD1 ASN A 33 29.759 -3.337 -10.809 1.00 23.11 O ATOM 517 ND2 ASN A 33 30.341 -2.788 -8.710 1.00 43.44 N ATOM 0 H ASN A 33 25.630 -3.126 -9.364 1.00 54.12 H new ATOM 0 HA ASN A 33 28.088 -3.429 -7.741 1.00 55.23 H new ATOM 0 HB2 ASN A 33 27.518 -2.291 -10.383 1.00 64.21 H new ATOM 0 HB3 ASN A 33 28.263 -1.108 -9.325 1.00 64.21 H new ATOM 0 HD21 ASN A 33 31.267 -3.204 -8.810 1.00 43.44 H new ATOM 0 HD22 ASN A 33 30.072 -2.348 -7.830 1.00 43.44 H new ATOM 524 N LYS A 34 25.618 -1.404 -7.401 1.00 65.01 N ATOM 525 CA LYS A 34 25.029 -0.370 -6.559 1.00 51.11 C ATOM 526 C LYS A 34 24.029 -0.972 -5.577 1.00 72.24 C ATOM 527 O LYS A 34 23.147 -0.279 -5.070 1.00 32.12 O ATOM 528 CB LYS A 34 24.338 0.688 -7.423 1.00 71.40 C ATOM 529 CG LYS A 34 25.206 1.211 -8.554 1.00 2.21 C ATOM 530 CD LYS A 34 26.357 2.053 -8.029 1.00 42.23 C ATOM 531 CE LYS A 34 26.375 3.433 -8.669 1.00 65.13 C ATOM 532 NZ LYS A 34 27.135 4.415 -7.848 1.00 2.53 N ATOM 0 H LYS A 34 24.953 -1.882 -8.009 1.00 65.01 H new ATOM 0 HA LYS A 34 25.831 0.101 -5.991 1.00 51.11 H new ATOM 0 HB2 LYS A 34 23.426 0.263 -7.843 1.00 71.40 H new ATOM 0 HB3 LYS A 34 24.039 1.523 -6.790 1.00 71.40 H new ATOM 0 HG2 LYS A 34 25.600 0.373 -9.129 1.00 2.21 H new ATOM 0 HG3 LYS A 34 24.598 1.807 -9.235 1.00 2.21 H new ATOM 0 HD2 LYS A 34 26.272 2.154 -6.947 1.00 42.23 H new ATOM 0 HD3 LYS A 34 27.301 1.546 -8.229 1.00 42.23 H new ATOM 0 HE2 LYS A 34 26.821 3.367 -9.661 1.00 65.13 H new ATOM 0 HE3 LYS A 34 25.352 3.785 -8.802 1.00 65.13 H new ATOM 0 HZ1 LYS A 34 27.124 5.343 -8.318 1.00 2.53 H new ATOM 0 HZ2 LYS A 34 26.695 4.497 -6.909 1.00 2.53 H new ATOM 0 HZ3 LYS A 34 28.118 4.092 -7.742 1.00 2.53 H new ATOM 546 N LYS A 35 24.173 -2.266 -5.313 1.00 34.34 N ATOM 547 CA LYS A 35 23.284 -2.962 -4.389 1.00 62.24 C ATOM 548 C LYS A 35 23.554 -2.536 -2.950 1.00 33.33 C ATOM 549 O LYS A 35 24.346 -1.628 -2.698 1.00 51.33 O ATOM 550 CB LYS A 35 23.458 -4.477 -4.526 1.00 3.54 C ATOM 551 CG LYS A 35 24.881 -4.949 -4.284 1.00 23.30 C ATOM 552 CD LYS A 35 25.199 -6.197 -5.092 1.00 2.54 C ATOM 553 CE LYS A 35 26.515 -6.823 -4.655 1.00 50.34 C ATOM 554 NZ LYS A 35 26.516 -8.300 -4.844 1.00 52.21 N ATOM 0 H LYS A 35 24.897 -2.854 -5.726 1.00 34.34 H new ATOM 0 HA LYS A 35 22.257 -2.696 -4.641 1.00 62.24 H new ATOM 0 HB2 LYS A 35 22.793 -4.976 -3.821 1.00 3.54 H new ATOM 0 HB3 LYS A 35 23.148 -4.781 -5.526 1.00 3.54 H new ATOM 0 HG2 LYS A 35 25.579 -4.155 -4.549 1.00 23.30 H new ATOM 0 HG3 LYS A 35 25.021 -5.156 -3.223 1.00 23.30 H new ATOM 0 HD2 LYS A 35 24.394 -6.922 -4.976 1.00 2.54 H new ATOM 0 HD3 LYS A 35 25.249 -5.943 -6.151 1.00 2.54 H new ATOM 0 HE2 LYS A 35 27.333 -6.383 -5.225 1.00 50.34 H new ATOM 0 HE3 LYS A 35 26.697 -6.591 -3.606 1.00 50.34 H new ATOM 0 HZ1 LYS A 35 27.430 -8.689 -4.535 1.00 52.21 H new ATOM 0 HZ2 LYS A 35 25.751 -8.723 -4.280 1.00 52.21 H new ATOM 0 HZ3 LYS A 35 26.368 -8.521 -5.849 1.00 52.21 H new ATOM 568 N CYS A 36 22.891 -3.199 -2.008 1.00 0.14 N ATOM 569 CA CYS A 36 23.059 -2.890 -0.593 1.00 24.22 C ATOM 570 C CYS A 36 24.441 -3.315 -0.104 1.00 43.42 C ATOM 571 O CYS A 36 24.764 -4.503 -0.074 1.00 45.42 O ATOM 572 CB CYS A 36 21.978 -3.587 0.235 1.00 55.21 C ATOM 573 SG CYS A 36 20.404 -2.672 0.323 1.00 64.43 S ATOM 0 H CYS A 36 22.232 -3.954 -2.199 1.00 0.14 H new ATOM 0 HA CYS A 36 22.964 -1.811 -0.469 1.00 24.22 H new ATOM 0 HB2 CYS A 36 21.790 -4.573 -0.189 1.00 55.21 H new ATOM 0 HB3 CYS A 36 22.353 -3.742 1.247 1.00 55.21 H new ATOM 578 N THR A 37 25.254 -2.335 0.279 1.00 43.23 N ATOM 579 CA THR A 37 26.601 -2.605 0.765 1.00 22.41 C ATOM 580 C THR A 37 26.799 -2.052 2.172 1.00 44.04 C ATOM 581 O THR A 37 27.900 -1.639 2.538 1.00 13.43 O ATOM 582 CB THR A 37 27.667 -2.000 -0.167 1.00 64.14 C ATOM 583 OG1 THR A 37 27.283 -0.677 -0.557 1.00 4.22 O ATOM 584 CG2 THR A 37 27.857 -2.864 -1.405 1.00 53.33 C ATOM 0 H THR A 37 25.002 -1.347 0.262 1.00 43.23 H new ATOM 0 HA THR A 37 26.719 -3.688 0.783 1.00 22.41 H new ATOM 0 HB THR A 37 28.611 -1.959 0.376 1.00 64.14 H new ATOM 0 HG1 THR A 37 27.967 -0.299 -1.148 1.00 4.22 H new ATOM 0 HG21 THR A 37 28.615 -2.416 -2.048 1.00 53.33 H new ATOM 0 HG22 THR A 37 28.178 -3.862 -1.106 1.00 53.33 H new ATOM 0 HG23 THR A 37 26.915 -2.933 -1.948 1.00 53.33 H new ATOM 592 N LYS A 38 25.728 -2.047 2.957 1.00 74.21 N ATOM 593 CA LYS A 38 25.783 -1.546 4.325 1.00 23.42 C ATOM 594 C LYS A 38 24.855 -2.345 5.235 1.00 52.52 C ATOM 595 O LYS A 38 23.889 -2.953 4.772 1.00 4.34 O ATOM 596 CB LYS A 38 25.403 -0.065 4.364 1.00 55.34 C ATOM 597 CG LYS A 38 26.500 0.831 4.912 1.00 15.23 C ATOM 598 CD LYS A 38 26.527 0.812 6.431 1.00 25.14 C ATOM 599 CE LYS A 38 26.776 2.200 7.002 1.00 74.10 C ATOM 600 NZ LYS A 38 26.335 2.303 8.421 1.00 52.34 N ATOM 0 H LYS A 38 24.810 -2.385 2.669 1.00 74.21 H new ATOM 0 HA LYS A 38 26.805 -1.661 4.686 1.00 23.42 H new ATOM 0 HB2 LYS A 38 25.148 0.262 3.356 1.00 55.34 H new ATOM 0 HB3 LYS A 38 24.508 0.056 4.975 1.00 55.34 H new ATOM 0 HG2 LYS A 38 27.465 0.504 4.526 1.00 15.23 H new ATOM 0 HG3 LYS A 38 26.346 1.852 4.562 1.00 15.23 H new ATOM 0 HD2 LYS A 38 25.579 0.427 6.808 1.00 25.14 H new ATOM 0 HD3 LYS A 38 27.306 0.131 6.774 1.00 25.14 H new ATOM 0 HE2 LYS A 38 27.838 2.436 6.934 1.00 74.10 H new ATOM 0 HE3 LYS A 38 26.246 2.940 6.402 1.00 74.10 H new ATOM 0 HZ1 LYS A 38 26.521 3.263 8.774 1.00 52.34 H new ATOM 0 HZ2 LYS A 38 25.316 2.103 8.483 1.00 52.34 H new ATOM 0 HZ3 LYS A 38 26.859 1.615 8.998 1.00 52.34 H new ATOM 614 N ASP A 39 25.152 -2.337 6.529 1.00 2.35 N ATOM 615 CA ASP A 39 24.342 -3.058 7.504 1.00 3.15 C ATOM 616 C ASP A 39 23.216 -2.176 8.034 1.00 75.14 C ATOM 617 O ASP A 39 23.461 -1.112 8.599 1.00 12.42 O ATOM 618 CB ASP A 39 25.214 -3.544 8.664 1.00 52.43 C ATOM 619 CG ASP A 39 26.092 -2.444 9.228 1.00 62.32 C ATOM 620 OD1 ASP A 39 25.753 -1.906 10.303 1.00 62.22 O ATOM 621 OD2 ASP A 39 27.119 -2.123 8.595 1.00 42.52 O ATOM 0 H ASP A 39 25.948 -1.839 6.928 1.00 2.35 H new ATOM 0 HA ASP A 39 23.900 -3.920 7.005 1.00 3.15 H new ATOM 0 HB2 ASP A 39 24.575 -3.937 9.455 1.00 52.43 H new ATOM 0 HB3 ASP A 39 25.842 -4.367 8.323 1.00 52.43 H new ATOM 626 N ASN A 40 21.980 -2.627 7.844 1.00 14.13 N ATOM 627 CA ASN A 40 20.815 -1.878 8.301 1.00 14.11 C ATOM 628 C ASN A 40 20.695 -0.551 7.557 1.00 31.24 C ATOM 629 O ASN A 40 20.386 0.480 8.153 1.00 44.11 O ATOM 630 CB ASN A 40 20.903 -1.625 9.807 1.00 5.24 C ATOM 631 CG ASN A 40 21.429 -2.828 10.566 1.00 62.21 C ATOM 632 OD1 ASN A 40 20.857 -3.916 10.499 1.00 23.40 O ATOM 633 ND2 ASN A 40 22.524 -2.637 11.293 1.00 60.23 N ATOM 0 H ASN A 40 21.760 -3.507 7.377 1.00 14.13 H new ATOM 0 HA ASN A 40 19.927 -2.474 8.091 1.00 14.11 H new ATOM 0 HB2 ASN A 40 21.553 -0.770 9.992 1.00 5.24 H new ATOM 0 HB3 ASN A 40 19.916 -1.363 10.187 1.00 5.24 H new ATOM 0 HD21 ASN A 40 22.924 -3.410 11.825 1.00 60.23 H new ATOM 0 HD22 ASN A 40 22.965 -1.718 11.319 1.00 60.23 H new ATOM 640 N ASN A 41 20.941 -0.587 6.252 1.00 51.33 N ATOM 641 CA ASN A 41 20.861 0.613 5.426 1.00 72.30 C ATOM 642 C ASN A 41 19.409 0.959 5.109 1.00 61.21 C ATOM 643 O ASN A 41 18.483 0.394 5.691 1.00 11.22 O ATOM 644 CB ASN A 41 21.645 0.416 4.127 1.00 4.32 C ATOM 645 CG ASN A 41 21.114 -0.738 3.300 1.00 70.14 C ATOM 646 OD1 ASN A 41 20.105 -0.607 2.606 1.00 3.42 O ATOM 647 ND2 ASN A 41 21.792 -1.878 3.370 1.00 44.55 N ATOM 0 H ASN A 41 21.197 -1.433 5.743 1.00 51.33 H new ATOM 0 HA ASN A 41 21.299 1.439 5.986 1.00 72.30 H new ATOM 0 HB2 ASN A 41 21.602 1.332 3.537 1.00 4.32 H new ATOM 0 HB3 ASN A 41 22.694 0.238 4.363 1.00 4.32 H new ATOM 0 HD21 ASN A 41 21.482 -2.690 2.836 1.00 44.55 H new ATOM 0 HD22 ASN A 41 22.623 -1.942 3.958 1.00 44.55 H new ATOM 654 N LYS A 42 19.218 1.891 4.181 1.00 31.51 N ATOM 655 CA LYS A 42 17.880 2.312 3.784 1.00 71.04 C ATOM 656 C LYS A 42 17.515 1.746 2.415 1.00 43.02 C ATOM 657 O LYS A 42 18.083 2.143 1.396 1.00 33.35 O ATOM 658 CB LYS A 42 17.791 3.840 3.756 1.00 62.53 C ATOM 659 CG LYS A 42 16.367 4.366 3.748 1.00 15.00 C ATOM 660 CD LYS A 42 16.003 5.009 5.076 1.00 54.44 C ATOM 661 CE LYS A 42 16.151 6.522 5.021 1.00 2.21 C ATOM 662 NZ LYS A 42 17.471 6.969 5.546 1.00 43.12 N ATOM 0 H LYS A 42 19.973 2.369 3.690 1.00 31.51 H new ATOM 0 HA LYS A 42 17.172 1.926 4.518 1.00 71.04 H new ATOM 0 HB2 LYS A 42 18.313 4.242 4.624 1.00 62.53 H new ATOM 0 HB3 LYS A 42 18.311 4.210 2.872 1.00 62.53 H new ATOM 0 HG2 LYS A 42 16.252 5.095 2.946 1.00 15.00 H new ATOM 0 HG3 LYS A 42 15.677 3.549 3.537 1.00 15.00 H new ATOM 0 HD2 LYS A 42 14.976 4.752 5.337 1.00 54.44 H new ATOM 0 HD3 LYS A 42 16.642 4.608 5.863 1.00 54.44 H new ATOM 0 HE2 LYS A 42 16.036 6.861 3.992 1.00 2.21 H new ATOM 0 HE3 LYS A 42 15.353 6.986 5.601 1.00 2.21 H new ATOM 0 HZ1 LYS A 42 17.533 8.006 5.492 1.00 43.12 H new ATOM 0 HZ2 LYS A 42 17.571 6.668 6.536 1.00 43.12 H new ATOM 0 HZ3 LYS A 42 18.232 6.546 4.977 1.00 43.12 H new ATOM 676 N CYS A 43 16.564 0.818 2.398 1.00 44.15 N ATOM 677 CA CYS A 43 16.123 0.198 1.154 1.00 12.11 C ATOM 678 C CYS A 43 14.608 0.011 1.148 1.00 64.15 C ATOM 679 O CYS A 43 13.937 0.249 2.152 1.00 21.33 O ATOM 680 CB CYS A 43 16.815 -1.152 0.959 1.00 24.10 C ATOM 681 SG CYS A 43 16.406 -2.389 2.232 1.00 12.23 S ATOM 0 H CYS A 43 16.084 0.479 3.232 1.00 44.15 H new ATOM 0 HA CYS A 43 16.394 0.859 0.331 1.00 12.11 H new ATOM 0 HB2 CYS A 43 16.543 -1.549 -0.019 1.00 24.10 H new ATOM 0 HB3 CYS A 43 17.894 -0.997 0.952 1.00 24.10 H new ATOM 686 N THR A 44 14.075 -0.417 0.007 1.00 25.43 N ATOM 687 CA THR A 44 12.641 -0.636 -0.131 1.00 42.15 C ATOM 688 C THR A 44 12.348 -1.724 -1.158 1.00 34.34 C ATOM 689 O THR A 44 12.903 -1.722 -2.256 1.00 63.12 O ATOM 690 CB THR A 44 11.914 0.656 -0.548 1.00 52.32 C ATOM 691 OG1 THR A 44 12.374 1.084 -1.835 1.00 13.31 O ATOM 692 CG2 THR A 44 12.146 1.761 0.472 1.00 74.21 C ATOM 0 H THR A 44 14.615 -0.619 -0.834 1.00 25.43 H new ATOM 0 HA THR A 44 12.274 -0.953 0.845 1.00 42.15 H new ATOM 0 HB THR A 44 10.846 0.446 -0.596 1.00 52.32 H new ATOM 0 HG1 THR A 44 12.166 2.034 -1.957 1.00 13.31 H new ATOM 0 HG21 THR A 44 11.623 2.664 0.156 1.00 74.21 H new ATOM 0 HG22 THR A 44 11.768 1.444 1.444 1.00 74.21 H new ATOM 0 HG23 THR A 44 13.213 1.968 0.548 1.00 74.21 H new ATOM 700 N VAL A 45 11.470 -2.654 -0.793 1.00 2.10 N ATOM 701 CA VAL A 45 11.101 -3.748 -1.683 1.00 41.02 C ATOM 702 C VAL A 45 9.871 -3.392 -2.511 1.00 23.12 C ATOM 703 O VAL A 45 8.962 -2.714 -2.031 1.00 23.30 O ATOM 704 CB VAL A 45 10.820 -5.042 -0.896 1.00 12.41 C ATOM 705 CG1 VAL A 45 10.387 -6.156 -1.836 1.00 55.35 C ATOM 706 CG2 VAL A 45 12.046 -5.455 -0.096 1.00 13.14 C ATOM 0 H VAL A 45 11.002 -2.671 0.113 1.00 2.10 H new ATOM 0 HA VAL A 45 11.948 -3.914 -2.349 1.00 41.02 H new ATOM 0 HB VAL A 45 10.005 -4.852 -0.197 1.00 12.41 H new ATOM 0 HG11 VAL A 45 10.193 -7.062 -1.262 1.00 55.35 H new ATOM 0 HG12 VAL A 45 9.479 -5.857 -2.360 1.00 55.35 H new ATOM 0 HG13 VAL A 45 11.178 -6.348 -2.561 1.00 55.35 H new ATOM 0 HG21 VAL A 45 11.830 -6.371 0.454 1.00 13.14 H new ATOM 0 HG22 VAL A 45 12.882 -5.627 -0.774 1.00 13.14 H new ATOM 0 HG23 VAL A 45 12.306 -4.663 0.606 1.00 13.14 H new ATOM 716 N ASP A 46 9.849 -3.854 -3.756 1.00 43.11 N ATOM 717 CA ASP A 46 8.730 -3.586 -4.651 1.00 53.14 C ATOM 718 C ASP A 46 8.050 -4.884 -5.075 1.00 34.23 C ATOM 719 O ASP A 46 8.634 -5.700 -5.789 1.00 33.12 O ATOM 720 CB ASP A 46 9.208 -2.820 -5.886 1.00 21.22 C ATOM 721 CG ASP A 46 8.677 -1.401 -5.929 1.00 11.14 C ATOM 722 OD1 ASP A 46 9.314 -0.510 -5.328 1.00 31.11 O ATOM 723 OD2 ASP A 46 7.625 -1.181 -6.564 1.00 14.45 O ATOM 0 H ASP A 46 10.594 -4.416 -4.168 1.00 43.11 H new ATOM 0 HA ASP A 46 8.005 -2.976 -4.112 1.00 53.14 H new ATOM 0 HB2 ASP A 46 10.298 -2.797 -5.897 1.00 21.22 H new ATOM 0 HB3 ASP A 46 8.891 -3.351 -6.784 1.00 21.22 H new ATOM 728 N THR A 47 6.811 -5.070 -4.629 1.00 21.42 N ATOM 729 CA THR A 47 6.052 -6.270 -4.959 1.00 41.11 C ATOM 730 C THR A 47 5.158 -6.038 -6.172 1.00 31.33 C ATOM 731 O THR A 47 4.133 -6.701 -6.335 1.00 41.11 O ATOM 732 CB THR A 47 5.182 -6.728 -3.774 1.00 32.23 C ATOM 733 OG1 THR A 47 4.563 -7.983 -4.077 1.00 34.31 O ATOM 734 CG2 THR A 47 4.113 -5.694 -3.455 1.00 40.52 C ATOM 0 H THR A 47 6.312 -4.405 -4.038 1.00 21.42 H new ATOM 0 HA THR A 47 6.778 -7.050 -5.190 1.00 41.11 H new ATOM 0 HB THR A 47 5.826 -6.842 -2.902 1.00 32.23 H new ATOM 0 HG1 THR A 47 4.127 -7.930 -4.953 1.00 34.31 H new ATOM 0 HG21 THR A 47 3.511 -6.040 -2.615 1.00 40.52 H new ATOM 0 HG22 THR A 47 4.588 -4.748 -3.196 1.00 40.52 H new ATOM 0 HG23 THR A 47 3.473 -5.552 -4.326 1.00 40.52 H new ATOM 742 N TYR A 48 5.552 -5.095 -7.020 1.00 0.03 N ATOM 743 CA TYR A 48 4.785 -4.775 -8.217 1.00 54.15 C ATOM 744 C TYR A 48 5.592 -5.071 -9.477 1.00 45.54 C ATOM 745 O TYR A 48 5.032 -5.348 -10.537 1.00 31.24 O ATOM 746 CB TYR A 48 4.364 -3.304 -8.201 1.00 70.32 C ATOM 747 CG TYR A 48 3.374 -2.946 -9.287 1.00 4.54 C ATOM 748 CD1 TYR A 48 2.006 -3.003 -9.053 1.00 11.24 C ATOM 749 CD2 TYR A 48 3.807 -2.550 -10.546 1.00 64.42 C ATOM 750 CE1 TYR A 48 1.098 -2.677 -10.041 1.00 52.43 C ATOM 751 CE2 TYR A 48 2.907 -2.221 -11.540 1.00 53.04 C ATOM 752 CZ TYR A 48 1.553 -2.286 -11.283 1.00 41.13 C ATOM 753 OH TYR A 48 0.653 -1.960 -12.271 1.00 54.14 O ATOM 0 H TYR A 48 6.399 -4.539 -6.900 1.00 0.03 H new ATOM 0 HA TYR A 48 3.893 -5.401 -8.224 1.00 54.15 H new ATOM 0 HB2 TYR A 48 3.926 -3.071 -7.230 1.00 70.32 H new ATOM 0 HB3 TYR A 48 5.251 -2.680 -8.309 1.00 70.32 H new ATOM 0 HD1 TYR A 48 1.646 -3.308 -8.081 1.00 11.24 H new ATOM 0 HD2 TYR A 48 4.866 -2.499 -10.751 1.00 64.42 H new ATOM 0 HE1 TYR A 48 0.038 -2.728 -9.842 1.00 52.43 H new ATOM 0 HE2 TYR A 48 3.261 -1.914 -12.513 1.00 53.04 H new ATOM 0 HH TYR A 48 1.138 -1.705 -13.084 1.00 54.14 H new ATOM 763 N ASN A 49 6.914 -5.009 -9.353 1.00 3.02 N ATOM 764 CA ASN A 49 7.801 -5.270 -10.481 1.00 3.03 C ATOM 765 C ASN A 49 8.966 -6.162 -10.062 1.00 2.34 C ATOM 766 O ASN A 49 9.953 -6.292 -10.785 1.00 34.00 O ATOM 767 CB ASN A 49 8.332 -3.954 -11.054 1.00 70.50 C ATOM 768 CG ASN A 49 8.603 -2.922 -9.977 1.00 24.01 C ATOM 769 OD1 ASN A 49 7.905 -1.913 -9.879 1.00 3.31 O ATOM 770 ND2 ASN A 49 9.622 -3.171 -9.162 1.00 41.02 N ATOM 0 H ASN A 49 7.395 -4.780 -8.483 1.00 3.02 H new ATOM 0 HA ASN A 49 7.228 -5.788 -11.250 1.00 3.03 H new ATOM 0 HB2 ASN A 49 9.251 -4.147 -11.608 1.00 70.50 H new ATOM 0 HB3 ASN A 49 7.609 -3.552 -11.764 1.00 70.50 H new ATOM 0 HD21 ASN A 49 9.853 -2.513 -8.418 1.00 41.02 H new ATOM 0 HD22 ASN A 49 10.174 -4.021 -9.280 1.00 41.02 H new ATOM 777 N ASN A 50 8.843 -6.774 -8.888 1.00 43.13 N ATOM 778 CA ASN A 50 9.886 -7.654 -8.372 1.00 52.35 C ATOM 779 C ASN A 50 11.245 -6.961 -8.401 1.00 21.52 C ATOM 780 O ASN A 50 11.988 -7.070 -9.376 1.00 52.40 O ATOM 781 CB ASN A 50 9.942 -8.946 -9.190 1.00 30.04 C ATOM 782 CG ASN A 50 9.262 -10.105 -8.486 1.00 53.34 C ATOM 783 OD1 ASN A 50 8.187 -9.948 -7.906 1.00 25.53 O ATOM 784 ND2 ASN A 50 9.886 -11.276 -8.536 1.00 3.42 N ATOM 0 H ASN A 50 8.032 -6.677 -8.277 1.00 43.13 H new ATOM 0 HA ASN A 50 9.644 -7.897 -7.337 1.00 52.35 H new ATOM 0 HB2 ASN A 50 9.466 -8.782 -10.157 1.00 30.04 H new ATOM 0 HB3 ASN A 50 10.983 -9.204 -9.387 1.00 30.04 H new ATOM 0 HD21 ASN A 50 9.476 -12.092 -8.082 1.00 3.42 H new ATOM 0 HD22 ASN A 50 10.775 -11.359 -9.028 1.00 3.42 H new ATOM 791 N ALA A 51 11.564 -6.251 -7.324 1.00 13.20 N ATOM 792 CA ALA A 51 12.834 -5.543 -7.224 1.00 21.20 C ATOM 793 C ALA A 51 12.973 -4.853 -5.871 1.00 61.03 C ATOM 794 O ALA A 51 12.074 -4.921 -5.033 1.00 41.10 O ATOM 795 CB ALA A 51 12.964 -4.530 -8.352 1.00 11.25 C ATOM 0 H ALA A 51 10.960 -6.151 -6.508 1.00 13.20 H new ATOM 0 HA ALA A 51 13.637 -6.274 -7.313 1.00 21.20 H new ATOM 0 HB1 ALA A 51 13.917 -4.009 -8.265 1.00 11.25 H new ATOM 0 HB2 ALA A 51 12.919 -5.046 -9.311 1.00 11.25 H new ATOM 0 HB3 ALA A 51 12.149 -3.809 -8.289 1.00 11.25 H new ATOM 801 N VAL A 52 14.106 -4.189 -5.664 1.00 70.15 N ATOM 802 CA VAL A 52 14.363 -3.486 -4.413 1.00 55.03 C ATOM 803 C VAL A 52 15.281 -2.289 -4.634 1.00 15.02 C ATOM 804 O VAL A 52 16.265 -2.376 -5.368 1.00 3.34 O ATOM 805 CB VAL A 52 14.997 -4.419 -3.365 1.00 32.21 C ATOM 806 CG1 VAL A 52 16.459 -4.678 -3.695 1.00 72.12 C ATOM 807 CG2 VAL A 52 14.853 -3.829 -1.970 1.00 42.33 C ATOM 0 H VAL A 52 14.861 -4.123 -6.347 1.00 70.15 H new ATOM 0 HA VAL A 52 13.399 -3.137 -4.042 1.00 55.03 H new ATOM 0 HB VAL A 52 14.470 -5.373 -3.387 1.00 32.21 H new ATOM 0 HG11 VAL A 52 16.890 -5.339 -2.943 1.00 72.12 H new ATOM 0 HG12 VAL A 52 16.533 -5.147 -4.676 1.00 72.12 H new ATOM 0 HG13 VAL A 52 17.003 -3.734 -3.702 1.00 72.12 H new ATOM 0 HG21 VAL A 52 15.307 -4.502 -1.242 1.00 42.33 H new ATOM 0 HG22 VAL A 52 15.353 -2.861 -1.931 1.00 42.33 H new ATOM 0 HG23 VAL A 52 13.796 -3.701 -1.736 1.00 42.33 H new ATOM 817 N ASP A 53 14.952 -1.172 -3.994 1.00 34.54 N ATOM 818 CA ASP A 53 15.748 0.043 -4.118 1.00 55.11 C ATOM 819 C ASP A 53 16.772 0.140 -2.992 1.00 33.24 C ATOM 820 O ASP A 53 16.507 0.735 -1.947 1.00 33.35 O ATOM 821 CB ASP A 53 14.841 1.275 -4.107 1.00 42.12 C ATOM 822 CG ASP A 53 15.606 2.554 -3.826 1.00 35.31 C ATOM 823 OD1 ASP A 53 16.530 2.875 -4.601 1.00 44.44 O ATOM 824 OD2 ASP A 53 15.278 3.233 -2.831 1.00 4.31 O ATOM 0 H ASP A 53 14.139 -1.083 -3.384 1.00 34.54 H new ATOM 0 HA ASP A 53 16.282 0.002 -5.067 1.00 55.11 H new ATOM 0 HB2 ASP A 53 14.337 1.360 -5.070 1.00 42.12 H new ATOM 0 HB3 ASP A 53 14.066 1.145 -3.352 1.00 42.12 H new ATOM 829 N CYS A 54 17.942 -0.450 -3.211 1.00 2.31 N ATOM 830 CA CYS A 54 19.006 -0.432 -2.215 1.00 24.03 C ATOM 831 C CYS A 54 19.596 0.968 -2.073 1.00 52.41 C ATOM 832 O CYS A 54 19.446 1.809 -2.960 1.00 72.21 O ATOM 833 CB CYS A 54 20.107 -1.424 -2.596 1.00 32.33 C ATOM 834 SG CYS A 54 19.641 -3.172 -2.377 1.00 55.33 S ATOM 0 H CYS A 54 18.177 -0.947 -4.070 1.00 2.31 H new ATOM 0 HA CYS A 54 18.577 -0.725 -1.257 1.00 24.03 H new ATOM 0 HB2 CYS A 54 20.384 -1.261 -3.637 1.00 32.33 H new ATOM 0 HB3 CYS A 54 20.992 -1.217 -1.994 1.00 32.33 H new ATOM 839 N ASP A 55 20.266 1.211 -0.952 1.00 45.34 N ATOM 840 CA ASP A 55 20.880 2.509 -0.694 1.00 60.25 C ATOM 841 C ASP A 55 21.756 2.938 -1.867 1.00 5.20 C ATOM 842 O ASP A 55 21.587 4.028 -2.415 1.00 54.21 O ATOM 843 CB ASP A 55 21.712 2.458 0.588 1.00 33.31 C ATOM 844 CG ASP A 55 23.107 1.913 0.352 1.00 13.12 C ATOM 845 OD1 ASP A 55 24.071 2.499 0.888 1.00 21.53 O ATOM 846 OD2 ASP A 55 23.234 0.901 -0.368 1.00 2.02 O ATOM 0 H ASP A 55 20.398 0.527 -0.207 1.00 45.34 H new ATOM 0 HA ASP A 55 20.083 3.242 -0.571 1.00 60.25 H new ATOM 0 HB2 ASP A 55 21.783 3.460 1.011 1.00 33.31 H new ATOM 0 HB3 ASP A 55 21.202 1.837 1.324 1.00 33.31 H new TER 851 ASP A 55