USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 413 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= -0.684 K(o=-1.1,f=1.3) USER MOD Set 1.2: A 24 THR OG1 : rot -160:sc= -0.424 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= -0.214 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= -0.0305 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -4.17 K(o=-4.2,f=-7.7!) USER MOD Single : A 15 LYS NZ :NH3+ 161:sc= 0.117 (180deg=0.0483) 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= -0.127 X(o=-0.13,f=-0.0011) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 171:sc= 0.0359 (180deg=0.0293) USER MOD Single : A 37 THR OG1 : rot -57:sc= 0.943 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.468 X(o=-0.47,f=-0.53) USER MOD Single : A 41 ASN : amide:sc= -0.236 K(o=-0.24,f=0.55) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.77 USER MOD Single : A 47 THR OG1 : rot -39:sc= 0.815 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.05 K(o=-1.1,f=-0.36) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 11 N LYS A 2 4.830 0.601 -1.856 1.00 44.51 N ATOM 12 CA LYS A 2 6.107 -0.083 -1.691 1.00 3.33 C ATOM 13 C LYS A 2 6.451 -0.243 -0.213 1.00 62.23 C ATOM 14 O LYS A 2 6.007 0.540 0.626 1.00 14.21 O ATOM 15 CB LYS A 2 7.220 0.690 -2.403 1.00 55.30 C ATOM 16 CG LYS A 2 7.331 2.140 -1.963 1.00 74.13 C ATOM 17 CD LYS A 2 8.781 2.583 -1.865 1.00 54.42 C ATOM 18 CE LYS A 2 9.278 3.160 -3.182 1.00 75.53 C ATOM 19 NZ LYS A 2 10.175 4.329 -2.973 1.00 13.45 N ATOM 0 HA LYS A 2 6.020 -1.074 -2.136 1.00 3.33 H new ATOM 0 HB2 LYS A 2 8.171 0.190 -2.222 1.00 55.30 H new ATOM 0 HB3 LYS A 2 7.043 0.658 -3.478 1.00 55.30 H new ATOM 0 HG2 LYS A 2 6.802 2.778 -2.671 1.00 74.13 H new ATOM 0 HG3 LYS A 2 6.845 2.266 -0.996 1.00 74.13 H new ATOM 0 HD2 LYS A 2 8.882 3.330 -1.078 1.00 54.42 H new ATOM 0 HD3 LYS A 2 9.403 1.735 -1.580 1.00 54.42 H new ATOM 0 HE2 LYS A 2 9.811 2.389 -3.738 1.00 75.53 H new ATOM 0 HE3 LYS A 2 8.426 3.461 -3.791 1.00 75.53 H new ATOM 0 HZ1 LYS A 2 10.492 4.693 -3.894 1.00 13.45 H new ATOM 0 HZ2 LYS A 2 9.659 5.076 -2.465 1.00 13.45 H new ATOM 0 HZ3 LYS A 2 11.002 4.037 -2.414 1.00 13.45 H new ATOM 33 N TYR A 3 7.246 -1.261 0.097 1.00 34.51 N ATOM 34 CA TYR A 3 7.648 -1.525 1.474 1.00 43.24 C ATOM 35 C TYR A 3 9.024 -0.931 1.762 1.00 53.11 C ATOM 36 O TYR A 3 9.852 -0.784 0.862 1.00 14.21 O ATOM 37 CB TYR A 3 7.664 -3.030 1.743 1.00 34.35 C ATOM 38 CG TYR A 3 6.294 -3.669 1.690 1.00 22.10 C ATOM 39 CD1 TYR A 3 5.959 -4.555 0.673 1.00 13.04 C ATOM 40 CD2 TYR A 3 5.336 -3.386 2.655 1.00 33.21 C ATOM 41 CE1 TYR A 3 4.709 -5.141 0.620 1.00 54.40 C ATOM 42 CE2 TYR A 3 4.084 -3.968 2.610 1.00 33.24 C ATOM 43 CZ TYR A 3 3.775 -4.844 1.591 1.00 72.40 C ATOM 44 OH TYR A 3 2.528 -5.425 1.542 1.00 23.22 O ATOM 0 H TYR A 3 7.625 -1.917 -0.586 1.00 34.51 H new ATOM 0 HA TYR A 3 6.922 -1.052 2.135 1.00 43.24 H new ATOM 0 HB2 TYR A 3 8.310 -3.515 1.011 1.00 34.35 H new ATOM 0 HB3 TYR A 3 8.102 -3.211 2.725 1.00 34.35 H new ATOM 0 HD1 TYR A 3 6.688 -4.789 -0.089 1.00 13.04 H new ATOM 0 HD2 TYR A 3 5.574 -2.699 3.454 1.00 33.21 H new ATOM 0 HE1 TYR A 3 4.464 -5.828 -0.177 1.00 54.40 H new ATOM 0 HE2 TYR A 3 3.351 -3.738 3.369 1.00 33.24 H new ATOM 0 HH TYR A 3 1.991 -5.111 2.299 1.00 23.22 H new ATOM 54 N THR A 4 9.261 -0.591 3.025 1.00 25.31 N ATOM 55 CA THR A 4 10.535 -0.013 3.434 1.00 21.13 C ATOM 56 C THR A 4 11.194 -0.850 4.525 1.00 52.01 C ATOM 57 O THR A 4 10.545 -1.252 5.489 1.00 33.34 O ATOM 58 CB THR A 4 10.359 1.429 3.946 1.00 51.23 C ATOM 59 OG1 THR A 4 9.560 2.181 3.025 1.00 2.24 O ATOM 60 CG2 THR A 4 11.708 2.108 4.126 1.00 23.03 C ATOM 0 H THR A 4 8.587 -0.706 3.782 1.00 25.31 H new ATOM 0 HA THR A 4 11.175 -0.002 2.552 1.00 21.13 H new ATOM 0 HB THR A 4 9.858 1.389 4.913 1.00 51.23 H new ATOM 0 HG1 THR A 4 9.451 3.096 3.358 1.00 2.24 H new ATOM 0 HG21 THR A 4 11.558 3.125 4.488 1.00 23.03 H new ATOM 0 HG22 THR A 4 12.303 1.549 4.849 1.00 23.03 H new ATOM 0 HG23 THR A 4 12.231 2.137 3.170 1.00 23.03 H new ATOM 68 N GLY A 5 12.488 -1.108 4.366 1.00 64.43 N ATOM 69 CA GLY A 5 13.214 -1.896 5.345 1.00 35.15 C ATOM 70 C GLY A 5 14.710 -1.660 5.287 1.00 53.40 C ATOM 71 O GLY A 5 15.162 -0.592 4.874 1.00 53.51 O ATOM 0 H GLY A 5 13.047 -0.785 3.576 1.00 64.43 H new ATOM 0 HA2 GLY A 5 12.850 -1.654 6.343 1.00 35.15 H new ATOM 0 HA3 GLY A 5 13.010 -2.954 5.179 1.00 35.15 H new ATOM 75 N LYS A 6 15.481 -2.658 5.703 1.00 5.11 N ATOM 76 CA LYS A 6 16.936 -2.555 5.697 1.00 11.12 C ATOM 77 C LYS A 6 17.574 -3.884 5.306 1.00 51.02 C ATOM 78 O LYS A 6 16.985 -4.948 5.500 1.00 42.02 O ATOM 79 CB LYS A 6 17.442 -2.120 7.074 1.00 5.22 C ATOM 80 CG LYS A 6 16.611 -1.018 7.708 1.00 44.54 C ATOM 81 CD LYS A 6 15.487 -1.585 8.557 1.00 31.24 C ATOM 82 CE LYS A 6 15.811 -1.498 10.041 1.00 53.41 C ATOM 83 NZ LYS A 6 15.703 -2.823 10.711 1.00 14.15 N ATOM 0 H LYS A 6 15.123 -3.548 6.049 1.00 5.11 H new ATOM 0 HA LYS A 6 17.219 -1.805 4.959 1.00 11.12 H new ATOM 0 HB2 LYS A 6 17.451 -2.984 7.738 1.00 5.22 H new ATOM 0 HB3 LYS A 6 18.473 -1.778 6.982 1.00 5.22 H new ATOM 0 HG2 LYS A 6 17.251 -0.387 8.325 1.00 44.54 H new ATOM 0 HG3 LYS A 6 16.193 -0.382 6.928 1.00 44.54 H new ATOM 0 HD2 LYS A 6 14.565 -1.041 8.352 1.00 31.24 H new ATOM 0 HD3 LYS A 6 15.311 -2.625 8.282 1.00 31.24 H new ATOM 0 HE2 LYS A 6 16.820 -1.107 10.170 1.00 53.41 H new ATOM 0 HE3 LYS A 6 15.132 -0.792 10.520 1.00 53.41 H new ATOM 0 HZ1 LYS A 6 15.931 -2.721 11.721 1.00 14.15 H new ATOM 0 HZ2 LYS A 6 14.733 -3.185 10.610 1.00 14.15 H new ATOM 0 HZ3 LYS A 6 16.369 -3.490 10.271 1.00 14.15 H new ATOM 97 N CYS A 7 18.781 -3.816 4.755 1.00 3.01 N ATOM 98 CA CYS A 7 19.500 -5.013 4.337 1.00 23.42 C ATOM 99 C CYS A 7 20.725 -5.247 5.217 1.00 61.30 C ATOM 100 O CYS A 7 20.883 -4.616 6.263 1.00 73.13 O ATOM 101 CB CYS A 7 19.926 -4.893 2.873 1.00 42.03 C ATOM 102 SG CYS A 7 19.091 -3.554 1.963 1.00 2.53 S ATOM 0 H CYS A 7 19.282 -2.944 4.587 1.00 3.01 H new ATOM 0 HA CYS A 7 18.829 -5.865 4.444 1.00 23.42 H new ATOM 0 HB2 CYS A 7 21.003 -4.730 2.831 1.00 42.03 H new ATOM 0 HB3 CYS A 7 19.727 -5.839 2.369 1.00 42.03 H new ATOM 107 N THR A 8 21.591 -6.159 4.786 1.00 62.11 N ATOM 108 CA THR A 8 22.801 -6.478 5.533 1.00 1.43 C ATOM 109 C THR A 8 23.998 -6.634 4.602 1.00 53.31 C ATOM 110 O THR A 8 23.940 -7.372 3.618 1.00 2.03 O ATOM 111 CB THR A 8 22.631 -7.771 6.353 1.00 1.51 C ATOM 112 OG1 THR A 8 21.253 -7.956 6.695 1.00 71.55 O ATOM 113 CG2 THR A 8 23.471 -7.722 7.621 1.00 53.13 C ATOM 0 H THR A 8 21.476 -6.690 3.923 1.00 62.11 H new ATOM 0 HA THR A 8 22.980 -5.646 6.214 1.00 1.43 H new ATOM 0 HB THR A 8 22.970 -8.609 5.744 1.00 1.51 H new ATOM 0 HG1 THR A 8 21.153 -8.781 7.215 1.00 71.55 H new ATOM 0 HG21 THR A 8 23.335 -8.646 8.184 1.00 53.13 H new ATOM 0 HG22 THR A 8 24.523 -7.610 7.357 1.00 53.13 H new ATOM 0 HG23 THR A 8 23.158 -6.875 8.232 1.00 53.13 H new ATOM 121 N LYS A 9 25.083 -5.935 4.918 1.00 55.52 N ATOM 122 CA LYS A 9 26.295 -5.996 4.111 1.00 62.44 C ATOM 123 C LYS A 9 26.880 -7.405 4.115 1.00 44.02 C ATOM 124 O LYS A 9 27.742 -7.732 3.298 1.00 14.04 O ATOM 125 CB LYS A 9 27.332 -5.000 4.634 1.00 23.20 C ATOM 126 CG LYS A 9 27.957 -5.411 5.956 1.00 11.23 C ATOM 127 CD LYS A 9 29.278 -6.133 5.749 1.00 52.42 C ATOM 128 CE LYS A 9 30.186 -5.993 6.961 1.00 13.21 C ATOM 129 NZ LYS A 9 31.547 -5.522 6.583 1.00 11.42 N ATOM 0 H LYS A 9 25.147 -5.319 5.728 1.00 55.52 H new ATOM 0 HA LYS A 9 26.033 -5.733 3.086 1.00 62.44 H new ATOM 0 HB2 LYS A 9 28.120 -4.884 3.890 1.00 23.20 H new ATOM 0 HB3 LYS A 9 26.859 -4.025 4.753 1.00 23.20 H new ATOM 0 HG2 LYS A 9 28.117 -4.527 6.574 1.00 11.23 H new ATOM 0 HG3 LYS A 9 27.269 -6.059 6.499 1.00 11.23 H new ATOM 0 HD2 LYS A 9 29.090 -7.189 5.554 1.00 52.42 H new ATOM 0 HD3 LYS A 9 29.780 -5.731 4.869 1.00 52.42 H new ATOM 0 HE2 LYS A 9 29.742 -5.292 7.668 1.00 13.21 H new ATOM 0 HE3 LYS A 9 30.263 -6.954 7.470 1.00 13.21 H new ATOM 0 HZ1 LYS A 9 32.135 -5.439 7.437 1.00 11.42 H new ATOM 0 HZ2 LYS A 9 31.981 -6.204 5.928 1.00 11.42 H new ATOM 0 HZ3 LYS A 9 31.477 -4.593 6.120 1.00 11.42 H new ATOM 143 N SER A 10 26.406 -8.235 5.038 1.00 22.22 N ATOM 144 CA SER A 10 26.884 -9.608 5.150 1.00 64.23 C ATOM 145 C SER A 10 26.918 -10.285 3.783 1.00 54.45 C ATOM 146 O SER A 10 27.983 -10.470 3.194 1.00 20.51 O ATOM 147 CB SER A 10 25.993 -10.405 6.104 1.00 30.20 C ATOM 148 OG SER A 10 26.079 -11.795 5.842 1.00 64.15 O ATOM 0 H SER A 10 25.691 -7.981 5.720 1.00 22.22 H new ATOM 0 HA SER A 10 27.898 -9.582 5.549 1.00 64.23 H new ATOM 0 HB2 SER A 10 26.290 -10.207 7.134 1.00 30.20 H new ATOM 0 HB3 SER A 10 24.959 -10.076 6.001 1.00 30.20 H new ATOM 0 HG SER A 10 25.502 -12.282 6.466 1.00 64.15 H new ATOM 154 N LYS A 11 25.743 -10.651 3.282 1.00 34.01 N ATOM 155 CA LYS A 11 25.634 -11.306 1.984 1.00 51.11 C ATOM 156 C LYS A 11 24.553 -10.648 1.131 1.00 25.24 C ATOM 157 O LYS A 11 24.055 -11.243 0.177 1.00 30.32 O ATOM 158 CB LYS A 11 25.321 -12.793 2.164 1.00 21.04 C ATOM 159 CG LYS A 11 26.219 -13.707 1.348 1.00 11.24 C ATOM 160 CD LYS A 11 25.544 -15.037 1.057 1.00 1.23 C ATOM 161 CE LYS A 11 26.564 -16.147 0.856 1.00 50.03 C ATOM 162 NZ LYS A 11 25.913 -17.477 0.702 1.00 33.33 N ATOM 0 H LYS A 11 24.852 -10.505 3.756 1.00 34.01 H new ATOM 0 HA LYS A 11 26.590 -11.202 1.472 1.00 51.11 H new ATOM 0 HB2 LYS A 11 25.417 -13.051 3.219 1.00 21.04 H new ATOM 0 HB3 LYS A 11 24.283 -12.974 1.885 1.00 21.04 H new ATOM 0 HG2 LYS A 11 26.481 -13.218 0.410 1.00 11.24 H new ATOM 0 HG3 LYS A 11 27.150 -13.881 1.888 1.00 11.24 H new ATOM 0 HD2 LYS A 11 24.879 -15.297 1.881 1.00 1.23 H new ATOM 0 HD3 LYS A 11 24.925 -14.944 0.165 1.00 1.23 H new ATOM 0 HE2 LYS A 11 27.165 -15.932 -0.028 1.00 50.03 H new ATOM 0 HE3 LYS A 11 27.245 -16.172 1.706 1.00 50.03 H new ATOM 0 HZ1 LYS A 11 26.642 -18.207 0.567 1.00 33.33 H new ATOM 0 HZ2 LYS A 11 25.360 -17.694 1.556 1.00 33.33 H new ATOM 0 HZ3 LYS A 11 25.282 -17.461 -0.125 1.00 33.33 H new ATOM 176 N ASN A 12 24.198 -9.416 1.482 1.00 73.50 N ATOM 177 CA ASN A 12 23.177 -8.678 0.748 1.00 52.32 C ATOM 178 C ASN A 12 21.813 -9.346 0.892 1.00 52.05 C ATOM 179 O ASN A 12 21.623 -10.487 0.472 1.00 52.24 O ATOM 180 CB ASN A 12 23.555 -8.578 -0.731 1.00 52.44 C ATOM 181 CG ASN A 12 23.096 -7.275 -1.359 1.00 33.44 C ATOM 182 OD1 ASN A 12 23.293 -6.199 -0.795 1.00 50.33 O ATOM 183 ND2 ASN A 12 22.479 -7.369 -2.531 1.00 41.30 N ATOM 0 H ASN A 12 24.602 -8.909 2.269 1.00 73.50 H new ATOM 0 HA ASN A 12 23.116 -7.675 1.169 1.00 52.32 H new ATOM 0 HB2 ASN A 12 24.637 -8.666 -0.833 1.00 52.44 H new ATOM 0 HB3 ASN A 12 23.114 -9.415 -1.273 1.00 52.44 H new ATOM 0 HD21 ASN A 12 22.146 -6.527 -3.001 1.00 41.30 H new ATOM 0 HD22 ASN A 12 22.338 -8.283 -2.961 1.00 41.30 H new ATOM 190 N GLU A 13 20.867 -8.626 1.487 1.00 20.22 N ATOM 191 CA GLU A 13 19.521 -9.150 1.686 1.00 32.22 C ATOM 192 C GLU A 13 18.617 -8.100 2.326 1.00 42.23 C ATOM 193 O GLU A 13 18.600 -7.940 3.547 1.00 53.35 O ATOM 194 CB GLU A 13 19.562 -10.405 2.561 1.00 10.44 C ATOM 195 CG GLU A 13 18.640 -11.512 2.081 1.00 34.41 C ATOM 196 CD GLU A 13 18.400 -12.572 3.139 1.00 13.44 C ATOM 197 OE1 GLU A 13 18.437 -13.772 2.796 1.00 52.34 O ATOM 198 OE2 GLU A 13 18.175 -12.201 4.310 1.00 14.03 O ATOM 0 H GLU A 13 21.008 -7.679 1.839 1.00 20.22 H new ATOM 0 HA GLU A 13 19.112 -9.410 0.709 1.00 32.22 H new ATOM 0 HB2 GLU A 13 20.584 -10.783 2.592 1.00 10.44 H new ATOM 0 HB3 GLU A 13 19.291 -10.135 3.582 1.00 10.44 H new ATOM 0 HG2 GLU A 13 17.685 -11.080 1.782 1.00 34.41 H new ATOM 0 HG3 GLU A 13 19.070 -11.979 1.195 1.00 34.41 H new ATOM 205 N CYS A 14 17.868 -7.386 1.492 1.00 1.13 N ATOM 206 CA CYS A 14 16.962 -6.350 1.974 1.00 44.12 C ATOM 207 C CYS A 14 15.729 -6.966 2.628 1.00 62.52 C ATOM 208 O CYS A 14 14.976 -7.702 1.989 1.00 13.52 O ATOM 209 CB CYS A 14 16.539 -5.437 0.821 1.00 4.13 C ATOM 210 SG CYS A 14 15.531 -4.009 1.335 1.00 22.31 S ATOM 0 H CYS A 14 17.871 -7.506 0.479 1.00 1.13 H new ATOM 0 HA CYS A 14 17.491 -5.759 2.722 1.00 44.12 H new ATOM 0 HB2 CYS A 14 17.432 -5.074 0.313 1.00 4.13 H new ATOM 0 HB3 CYS A 14 15.976 -6.023 0.095 1.00 4.13 H new ATOM 215 N LYS A 15 15.529 -6.662 3.905 1.00 3.35 N ATOM 216 CA LYS A 15 14.388 -7.183 4.647 1.00 34.34 C ATOM 217 C LYS A 15 13.179 -6.264 4.503 1.00 31.11 C ATOM 218 O LYS A 15 13.325 -5.057 4.309 1.00 14.12 O ATOM 219 CB LYS A 15 14.745 -7.345 6.127 1.00 41.24 C ATOM 220 CG LYS A 15 13.644 -7.987 6.952 1.00 73.20 C ATOM 221 CD LYS A 15 12.763 -6.942 7.616 1.00 21.24 C ATOM 222 CE LYS A 15 13.390 -6.420 8.900 1.00 34.34 C ATOM 223 NZ LYS A 15 12.408 -6.379 10.019 1.00 10.45 N ATOM 0 H LYS A 15 16.144 -6.056 4.449 1.00 3.35 H new ATOM 0 HA LYS A 15 14.133 -8.158 4.232 1.00 34.34 H new ATOM 0 HB2 LYS A 15 15.649 -7.949 6.210 1.00 41.24 H new ATOM 0 HB3 LYS A 15 14.977 -6.366 6.545 1.00 41.24 H new ATOM 0 HG2 LYS A 15 13.034 -8.625 6.313 1.00 73.20 H new ATOM 0 HG3 LYS A 15 14.086 -8.629 7.714 1.00 73.20 H new ATOM 0 HD2 LYS A 15 12.597 -6.113 6.928 1.00 21.24 H new ATOM 0 HD3 LYS A 15 11.787 -7.374 7.836 1.00 21.24 H new ATOM 0 HE2 LYS A 15 14.231 -7.055 9.178 1.00 34.34 H new ATOM 0 HE3 LYS A 15 13.788 -5.420 8.729 1.00 34.34 H new ATOM 0 HZ1 LYS A 15 12.916 -6.335 10.925 1.00 10.45 H new ATOM 0 HZ2 LYS A 15 11.803 -5.539 9.920 1.00 10.45 H new ATOM 0 HZ3 LYS A 15 11.818 -7.235 9.994 1.00 10.45 H new ATOM 237 N TYR A 16 11.987 -6.842 4.600 1.00 30.21 N ATOM 238 CA TYR A 16 10.753 -6.075 4.479 1.00 1.44 C ATOM 239 C TYR A 16 9.548 -6.912 4.897 1.00 11.51 C ATOM 240 O TYR A 16 9.695 -8.014 5.424 1.00 31.43 O ATOM 241 CB TYR A 16 10.573 -5.582 3.043 1.00 72.14 C ATOM 242 CG TYR A 16 10.171 -6.672 2.075 1.00 53.02 C ATOM 243 CD1 TYR A 16 8.869 -6.756 1.595 1.00 64.51 C ATOM 244 CD2 TYR A 16 11.091 -7.618 1.641 1.00 4.30 C ATOM 245 CE1 TYR A 16 8.497 -7.751 0.711 1.00 1.11 C ATOM 246 CE2 TYR A 16 10.728 -8.615 0.756 1.00 5.43 C ATOM 247 CZ TYR A 16 9.430 -8.677 0.294 1.00 23.24 C ATOM 248 OH TYR A 16 9.064 -9.670 -0.586 1.00 4.42 O ATOM 0 H TYR A 16 11.849 -7.840 4.762 1.00 30.21 H new ATOM 0 HA TYR A 16 10.823 -5.215 5.145 1.00 1.44 H new ATOM 0 HB2 TYR A 16 9.816 -4.798 3.029 1.00 72.14 H new ATOM 0 HB3 TYR A 16 11.505 -5.131 2.703 1.00 72.14 H new ATOM 0 HD1 TYR A 16 8.136 -6.032 1.918 1.00 64.51 H new ATOM 0 HD2 TYR A 16 12.108 -7.573 2.002 1.00 4.30 H new ATOM 0 HE1 TYR A 16 7.481 -7.803 0.349 1.00 1.11 H new ATOM 0 HE2 TYR A 16 11.457 -9.342 0.428 1.00 5.43 H new ATOM 0 HH TYR A 16 9.839 -10.238 -0.779 1.00 4.42 H new ATOM 258 N LYS A 17 8.354 -6.379 4.657 1.00 64.11 N ATOM 259 CA LYS A 17 7.121 -7.075 5.005 1.00 24.10 C ATOM 260 C LYS A 17 6.264 -7.315 3.767 1.00 55.52 C ATOM 261 O LYS A 17 6.110 -6.430 2.926 1.00 2.41 O ATOM 262 CB LYS A 17 6.331 -6.269 6.038 1.00 31.12 C ATOM 263 CG LYS A 17 6.117 -4.818 5.643 1.00 33.24 C ATOM 264 CD LYS A 17 5.627 -3.987 6.817 1.00 32.35 C ATOM 265 CE LYS A 17 4.402 -3.165 6.446 1.00 63.01 C ATOM 266 NZ LYS A 17 3.960 -2.291 7.568 1.00 72.24 N ATOM 0 H LYS A 17 8.215 -5.467 4.223 1.00 64.11 H new ATOM 0 HA LYS A 17 7.387 -8.041 5.434 1.00 24.10 H new ATOM 0 HB2 LYS A 17 5.361 -6.742 6.191 1.00 31.12 H new ATOM 0 HB3 LYS A 17 6.856 -6.303 6.992 1.00 31.12 H new ATOM 0 HG2 LYS A 17 7.051 -4.401 5.266 1.00 33.24 H new ATOM 0 HG3 LYS A 17 5.392 -4.764 4.830 1.00 33.24 H new ATOM 0 HD2 LYS A 17 5.386 -4.643 7.653 1.00 32.35 H new ATOM 0 HD3 LYS A 17 6.424 -3.323 7.152 1.00 32.35 H new ATOM 0 HE2 LYS A 17 4.627 -2.551 5.574 1.00 63.01 H new ATOM 0 HE3 LYS A 17 3.588 -3.833 6.164 1.00 63.01 H new ATOM 0 HZ1 LYS A 17 3.123 -1.747 7.276 1.00 72.24 H new ATOM 0 HZ2 LYS A 17 3.721 -2.878 8.392 1.00 72.24 H new ATOM 0 HZ3 LYS A 17 4.727 -1.636 7.821 1.00 72.24 H new ATOM 280 N ASN A 18 5.705 -8.516 3.662 1.00 24.24 N ATOM 281 CA ASN A 18 4.862 -8.871 2.527 1.00 72.11 C ATOM 282 C ASN A 18 3.625 -9.637 2.987 1.00 53.55 C ATOM 283 O ASN A 18 3.550 -10.087 4.130 1.00 62.43 O ATOM 284 CB ASN A 18 5.651 -9.712 1.522 1.00 62.04 C ATOM 285 CG ASN A 18 5.573 -11.196 1.822 1.00 72.43 C ATOM 286 OD1 ASN A 18 5.171 -11.992 0.973 1.00 71.33 O ATOM 287 ND2 ASN A 18 5.957 -11.576 3.035 1.00 43.22 N ATOM 0 H ASN A 18 5.821 -9.260 4.350 1.00 24.24 H new ATOM 0 HA ASN A 18 4.539 -7.949 2.044 1.00 72.11 H new ATOM 0 HB2 ASN A 18 5.269 -9.527 0.518 1.00 62.04 H new ATOM 0 HB3 ASN A 18 6.695 -9.397 1.529 1.00 62.04 H new ATOM 0 HD21 ASN A 18 5.926 -12.562 3.294 1.00 43.22 H new ATOM 0 HD22 ASN A 18 6.283 -10.882 3.707 1.00 43.22 H new ATOM 294 N ASP A 19 2.657 -9.780 2.088 1.00 13.41 N ATOM 295 CA ASP A 19 1.423 -10.492 2.400 1.00 0.11 C ATOM 296 C ASP A 19 0.569 -9.696 3.382 1.00 42.40 C ATOM 297 O ASP A 19 -0.461 -9.135 3.011 1.00 54.03 O ATOM 298 CB ASP A 19 1.738 -11.871 2.981 1.00 23.11 C ATOM 299 CG ASP A 19 1.216 -12.998 2.113 1.00 73.53 C ATOM 300 OD1 ASP A 19 2.001 -13.916 1.795 1.00 21.43 O ATOM 301 OD2 ASP A 19 0.021 -12.963 1.751 1.00 21.41 O ATOM 0 H ASP A 19 2.703 -9.412 1.138 1.00 13.41 H new ATOM 0 HA ASP A 19 0.860 -10.616 1.475 1.00 0.11 H new ATOM 0 HB2 ASP A 19 2.817 -11.975 3.097 1.00 23.11 H new ATOM 0 HB3 ASP A 19 1.301 -11.951 3.977 1.00 23.11 H new ATOM 306 N ALA A 20 1.005 -9.652 4.637 1.00 41.43 N ATOM 307 CA ALA A 20 0.282 -8.924 5.672 1.00 55.44 C ATOM 308 C ALA A 20 1.189 -8.605 6.855 1.00 50.20 C ATOM 309 O ALA A 20 0.720 -8.416 7.976 1.00 13.34 O ATOM 310 CB ALA A 20 -0.928 -9.724 6.132 1.00 10.41 C ATOM 0 H ALA A 20 1.856 -10.112 4.961 1.00 41.43 H new ATOM 0 HA ALA A 20 -0.060 -7.981 5.246 1.00 55.44 H new ATOM 0 HB1 ALA A 20 -1.459 -9.169 6.905 1.00 10.41 H new ATOM 0 HB2 ALA A 20 -1.594 -9.895 5.286 1.00 10.41 H new ATOM 0 HB3 ALA A 20 -0.599 -10.682 6.535 1.00 10.41 H new ATOM 316 N GLY A 21 2.492 -8.547 6.597 1.00 22.31 N ATOM 317 CA GLY A 21 3.445 -8.252 7.651 1.00 34.05 C ATOM 318 C GLY A 21 4.505 -9.326 7.792 1.00 44.31 C ATOM 319 O GLY A 21 5.319 -9.289 8.716 1.00 74.04 O ATOM 0 H GLY A 21 2.905 -8.699 5.677 1.00 22.31 H new ATOM 0 HA2 GLY A 21 3.926 -7.296 7.444 1.00 34.05 H new ATOM 0 HA3 GLY A 21 2.914 -8.144 8.597 1.00 34.05 H new ATOM 323 N LYS A 22 4.498 -10.286 6.874 1.00 34.51 N ATOM 324 CA LYS A 22 5.466 -11.377 6.899 1.00 54.53 C ATOM 325 C LYS A 22 6.863 -10.871 6.556 1.00 3.32 C ATOM 326 O LYS A 22 7.084 -10.307 5.484 1.00 3.34 O ATOM 327 CB LYS A 22 5.054 -12.474 5.915 1.00 73.10 C ATOM 328 CG LYS A 22 4.324 -13.635 6.569 1.00 3.32 C ATOM 329 CD LYS A 22 4.100 -14.775 5.591 1.00 64.44 C ATOM 330 CE LYS A 22 2.893 -15.615 5.980 1.00 51.44 C ATOM 331 NZ LYS A 22 1.990 -15.858 4.821 1.00 52.32 N ATOM 0 H LYS A 22 3.832 -10.331 6.103 1.00 34.51 H new ATOM 0 HA LYS A 22 5.485 -11.790 7.907 1.00 54.53 H new ATOM 0 HB2 LYS A 22 4.414 -12.040 5.147 1.00 73.10 H new ATOM 0 HB3 LYS A 22 5.944 -12.852 5.412 1.00 73.10 H new ATOM 0 HG2 LYS A 22 4.900 -13.994 7.422 1.00 3.32 H new ATOM 0 HG3 LYS A 22 3.364 -13.291 6.955 1.00 3.32 H new ATOM 0 HD2 LYS A 22 3.956 -14.372 4.588 1.00 64.44 H new ATOM 0 HD3 LYS A 22 4.988 -15.406 5.557 1.00 64.44 H new ATOM 0 HE2 LYS A 22 3.230 -16.570 6.384 1.00 51.44 H new ATOM 0 HE3 LYS A 22 2.340 -15.111 6.772 1.00 51.44 H new ATOM 0 HZ1 LYS A 22 1.180 -16.434 5.127 1.00 52.32 H new ATOM 0 HZ2 LYS A 22 1.648 -14.948 4.451 1.00 52.32 H new ATOM 0 HZ3 LYS A 22 2.511 -16.362 4.075 1.00 52.32 H new ATOM 345 N ASP A 23 7.803 -11.078 7.472 1.00 1.50 N ATOM 346 CA ASP A 23 9.180 -10.645 7.266 1.00 43.45 C ATOM 347 C ASP A 23 9.830 -11.423 6.126 1.00 74.24 C ATOM 348 O ASP A 23 10.018 -12.637 6.216 1.00 4.10 O ATOM 349 CB ASP A 23 9.992 -10.824 8.549 1.00 32.35 C ATOM 350 CG ASP A 23 9.634 -9.800 9.608 1.00 5.23 C ATOM 351 OD1 ASP A 23 8.457 -9.762 10.025 1.00 65.23 O ATOM 352 OD2 ASP A 23 10.532 -9.036 10.021 1.00 30.33 O ATOM 0 H ASP A 23 7.636 -11.543 8.364 1.00 1.50 H new ATOM 0 HA ASP A 23 9.165 -9.588 6.999 1.00 43.45 H new ATOM 0 HB2 ASP A 23 9.824 -11.826 8.945 1.00 32.35 H new ATOM 0 HB3 ASP A 23 11.054 -10.747 8.317 1.00 32.35 H new ATOM 357 N THR A 24 10.169 -10.717 5.051 1.00 31.33 N ATOM 358 CA THR A 24 10.795 -11.342 3.893 1.00 54.23 C ATOM 359 C THR A 24 12.089 -10.630 3.516 1.00 13.51 C ATOM 360 O THR A 24 12.196 -9.409 3.638 1.00 34.12 O ATOM 361 CB THR A 24 9.850 -11.343 2.676 1.00 13.33 C ATOM 362 OG1 THR A 24 8.658 -12.075 2.982 1.00 21.52 O ATOM 363 CG2 THR A 24 10.531 -11.956 1.462 1.00 31.44 C ATOM 0 H THR A 24 10.020 -9.712 4.959 1.00 31.33 H new ATOM 0 HA THR A 24 11.018 -12.372 4.172 1.00 54.23 H new ATOM 0 HB THR A 24 9.592 -10.310 2.444 1.00 13.33 H new ATOM 0 HG1 THR A 24 8.217 -12.345 2.149 1.00 21.52 H new ATOM 0 HG21 THR A 24 9.844 -11.946 0.616 1.00 31.44 H new ATOM 0 HG22 THR A 24 11.421 -11.378 1.214 1.00 31.44 H new ATOM 0 HG23 THR A 24 10.816 -12.984 1.685 1.00 31.44 H new ATOM 371 N PHE A 25 13.070 -11.399 3.057 1.00 41.01 N ATOM 372 CA PHE A 25 14.358 -10.841 2.662 1.00 2.22 C ATOM 373 C PHE A 25 14.589 -11.013 1.164 1.00 65.11 C ATOM 374 O PHE A 25 14.191 -12.019 0.575 1.00 5.14 O ATOM 375 CB PHE A 25 15.490 -11.511 3.445 1.00 54.13 C ATOM 376 CG PHE A 25 15.213 -11.627 4.917 1.00 64.35 C ATOM 377 CD1 PHE A 25 15.674 -10.664 5.799 1.00 14.25 C ATOM 378 CD2 PHE A 25 14.494 -12.701 5.417 1.00 1.51 C ATOM 379 CE1 PHE A 25 15.421 -10.768 7.154 1.00 11.45 C ATOM 380 CE2 PHE A 25 14.238 -12.809 6.771 1.00 70.42 C ATOM 381 CZ PHE A 25 14.703 -11.843 7.641 1.00 40.43 C ATOM 0 H PHE A 25 12.998 -12.411 2.949 1.00 41.01 H new ATOM 0 HA PHE A 25 14.349 -9.775 2.890 1.00 2.22 H new ATOM 0 HB2 PHE A 25 15.664 -12.506 3.037 1.00 54.13 H new ATOM 0 HB3 PHE A 25 16.408 -10.942 3.300 1.00 54.13 H new ATOM 0 HD1 PHE A 25 16.237 -9.822 5.424 1.00 14.25 H new ATOM 0 HD2 PHE A 25 14.130 -13.461 4.742 1.00 1.51 H new ATOM 0 HE1 PHE A 25 15.784 -10.009 7.831 1.00 11.45 H new ATOM 0 HE2 PHE A 25 13.674 -13.649 7.149 1.00 70.42 H new ATOM 0 HZ PHE A 25 14.506 -11.928 8.699 1.00 40.43 H new ATOM 391 N ILE A 26 15.235 -10.025 0.553 1.00 14.25 N ATOM 392 CA ILE A 26 15.519 -10.067 -0.875 1.00 43.14 C ATOM 393 C ILE A 26 16.723 -9.197 -1.222 1.00 30.11 C ATOM 394 O ILE A 26 16.740 -7.999 -0.937 1.00 64.42 O ATOM 395 CB ILE A 26 14.308 -9.601 -1.705 1.00 30.32 C ATOM 396 CG1 ILE A 26 14.647 -9.617 -3.197 1.00 23.43 C ATOM 397 CG2 ILE A 26 13.872 -8.210 -1.270 1.00 72.12 C ATOM 398 CD1 ILE A 26 15.081 -10.975 -3.703 1.00 63.11 C ATOM 0 H ILE A 26 15.571 -9.186 1.025 1.00 14.25 H new ATOM 0 HA ILE A 26 15.740 -11.105 -1.122 1.00 43.14 H new ATOM 0 HB ILE A 26 13.481 -10.290 -1.533 1.00 30.32 H new ATOM 0 HG12 ILE A 26 13.775 -9.289 -3.763 1.00 23.43 H new ATOM 0 HG13 ILE A 26 15.441 -8.896 -3.389 1.00 23.43 H new ATOM 0 HG21 ILE A 26 13.015 -7.894 -1.866 1.00 72.12 H new ATOM 0 HG22 ILE A 26 13.594 -8.229 -0.216 1.00 72.12 H new ATOM 0 HG23 ILE A 26 14.694 -7.509 -1.416 1.00 72.12 H new ATOM 0 HD11 ILE A 26 15.305 -10.912 -4.768 1.00 63.11 H new ATOM 0 HD12 ILE A 26 15.971 -11.297 -3.163 1.00 63.11 H new ATOM 0 HD13 ILE A 26 14.279 -11.696 -3.543 1.00 63.11 H new ATOM 410 N LYS A 27 17.728 -9.807 -1.840 1.00 65.31 N ATOM 411 CA LYS A 27 18.936 -9.089 -2.230 1.00 23.44 C ATOM 412 C LYS A 27 18.613 -7.980 -3.225 1.00 13.43 C ATOM 413 O LYS A 27 17.447 -7.647 -3.442 1.00 1.11 O ATOM 414 CB LYS A 27 19.954 -10.056 -2.840 1.00 40.42 C ATOM 415 CG LYS A 27 20.141 -11.330 -2.036 1.00 24.14 C ATOM 416 CD LYS A 27 19.605 -12.542 -2.778 1.00 73.32 C ATOM 417 CE LYS A 27 18.806 -13.452 -1.857 1.00 5.11 C ATOM 418 NZ LYS A 27 17.859 -14.315 -2.615 1.00 34.14 N ATOM 0 H LYS A 27 17.730 -10.798 -2.082 1.00 65.31 H new ATOM 0 HA LYS A 27 19.364 -8.636 -1.336 1.00 23.44 H new ATOM 0 HB2 LYS A 27 19.635 -10.317 -3.849 1.00 40.42 H new ATOM 0 HB3 LYS A 27 20.915 -9.549 -2.930 1.00 40.42 H new ATOM 0 HG2 LYS A 27 21.200 -11.473 -1.821 1.00 24.14 H new ATOM 0 HG3 LYS A 27 19.631 -11.234 -1.077 1.00 24.14 H new ATOM 0 HD2 LYS A 27 18.974 -12.214 -3.604 1.00 73.32 H new ATOM 0 HD3 LYS A 27 20.434 -13.100 -3.212 1.00 73.32 H new ATOM 0 HE2 LYS A 27 19.489 -14.079 -1.284 1.00 5.11 H new ATOM 0 HE3 LYS A 27 18.251 -12.847 -1.140 1.00 5.11 H new ATOM 0 HZ1 LYS A 27 17.334 -14.920 -1.952 1.00 34.14 H new ATOM 0 HZ2 LYS A 27 17.191 -13.717 -3.142 1.00 34.14 H new ATOM 0 HZ3 LYS A 27 18.390 -14.911 -3.281 1.00 34.14 H new ATOM 432 N CYS A 28 19.651 -7.411 -3.828 1.00 0.31 N ATOM 433 CA CYS A 28 19.478 -6.339 -4.801 1.00 72.00 C ATOM 434 C CYS A 28 19.857 -6.810 -6.202 1.00 73.11 C ATOM 435 O CYS A 28 20.938 -6.516 -6.712 1.00 24.45 O ATOM 436 CB CYS A 28 20.326 -5.127 -4.412 1.00 11.51 C ATOM 437 SG CYS A 28 19.695 -3.542 -5.052 1.00 1.22 S ATOM 0 H CYS A 28 20.622 -7.675 -3.660 1.00 0.31 H new ATOM 0 HA CYS A 28 18.426 -6.052 -4.805 1.00 72.00 H new ATOM 0 HB2 CYS A 28 20.383 -5.071 -3.325 1.00 11.51 H new ATOM 0 HB3 CYS A 28 21.342 -5.276 -4.777 1.00 11.51 H new ATOM 442 N PRO A 29 18.945 -7.559 -6.841 1.00 45.52 N ATOM 443 CA PRO A 29 19.161 -8.086 -8.192 1.00 54.41 C ATOM 444 C PRO A 29 19.146 -6.989 -9.251 1.00 42.24 C ATOM 445 O PRO A 29 19.608 -7.190 -10.375 1.00 3.23 O ATOM 446 CB PRO A 29 17.980 -9.039 -8.393 1.00 52.32 C ATOM 447 CG PRO A 29 16.918 -8.523 -7.484 1.00 72.14 C ATOM 448 CD PRO A 29 17.635 -7.947 -6.294 1.00 73.55 C ATOM 0 HA PRO A 29 20.135 -8.565 -8.292 1.00 54.41 H new ATOM 0 HB2 PRO A 29 17.646 -9.042 -9.431 1.00 52.32 H new ATOM 0 HB3 PRO A 29 18.252 -10.064 -8.143 1.00 52.32 H new ATOM 0 HG2 PRO A 29 16.314 -7.764 -7.981 1.00 72.14 H new ATOM 0 HG3 PRO A 29 16.241 -9.322 -7.182 1.00 72.14 H new ATOM 0 HD2 PRO A 29 17.103 -7.091 -5.880 1.00 73.55 H new ATOM 0 HD3 PRO A 29 17.735 -8.678 -5.492 1.00 73.55 H new ATOM 456 N LYS A 30 18.613 -5.828 -8.887 1.00 2.42 N ATOM 457 CA LYS A 30 18.540 -4.697 -9.805 1.00 31.03 C ATOM 458 C LYS A 30 19.926 -4.324 -10.321 1.00 20.33 C ATOM 459 O LYS A 30 20.216 -4.467 -11.509 1.00 23.44 O ATOM 460 CB LYS A 30 17.901 -3.491 -9.112 1.00 31.55 C ATOM 461 CG LYS A 30 16.395 -3.608 -8.955 1.00 14.31 C ATOM 462 CD LYS A 30 15.679 -3.400 -10.279 1.00 14.11 C ATOM 463 CE LYS A 30 15.217 -4.720 -10.876 1.00 60.42 C ATOM 464 NZ LYS A 30 14.114 -4.529 -11.858 1.00 70.52 N ATOM 0 H LYS A 30 18.225 -5.645 -7.962 1.00 2.42 H new ATOM 0 HA LYS A 30 17.922 -4.990 -10.654 1.00 31.03 H new ATOM 0 HB2 LYS A 30 18.352 -3.367 -8.127 1.00 31.55 H new ATOM 0 HB3 LYS A 30 18.130 -2.591 -9.683 1.00 31.55 H new ATOM 0 HG2 LYS A 30 16.145 -4.591 -8.556 1.00 14.31 H new ATOM 0 HG3 LYS A 30 16.045 -2.872 -8.231 1.00 14.31 H new ATOM 0 HD2 LYS A 30 14.820 -2.746 -10.130 1.00 14.11 H new ATOM 0 HD3 LYS A 30 16.345 -2.896 -10.979 1.00 14.11 H new ATOM 0 HE2 LYS A 30 16.058 -5.211 -11.365 1.00 60.42 H new ATOM 0 HE3 LYS A 30 14.882 -5.382 -10.078 1.00 60.42 H new ATOM 0 HZ1 LYS A 30 13.827 -5.452 -12.242 1.00 70.52 H new ATOM 0 HZ2 LYS A 30 13.302 -4.083 -11.385 1.00 70.52 H new ATOM 0 HZ3 LYS A 30 14.441 -3.918 -12.633 1.00 70.52 H new ATOM 478 N PHE A 31 20.779 -3.847 -9.420 1.00 60.24 N ATOM 479 CA PHE A 31 22.135 -3.455 -9.785 1.00 43.40 C ATOM 480 C PHE A 31 23.153 -4.461 -9.257 1.00 4.13 C ATOM 481 O PHE A 31 22.813 -5.358 -8.486 1.00 32.15 O ATOM 482 CB PHE A 31 22.449 -2.060 -9.239 1.00 44.04 C ATOM 483 CG PHE A 31 21.226 -1.224 -8.990 1.00 64.34 C ATOM 484 CD1 PHE A 31 20.537 -1.321 -7.792 1.00 44.33 C ATOM 485 CD2 PHE A 31 20.766 -0.343 -9.955 1.00 15.41 C ATOM 486 CE1 PHE A 31 19.412 -0.553 -7.560 1.00 12.13 C ATOM 487 CE2 PHE A 31 19.641 0.428 -9.728 1.00 10.02 C ATOM 488 CZ PHE A 31 18.963 0.322 -8.529 1.00 74.14 C ATOM 0 H PHE A 31 20.555 -3.723 -8.433 1.00 60.24 H new ATOM 0 HA PHE A 31 22.201 -3.436 -10.873 1.00 43.40 H new ATOM 0 HB2 PHE A 31 23.007 -2.160 -8.308 1.00 44.04 H new ATOM 0 HB3 PHE A 31 23.097 -1.540 -9.944 1.00 44.04 H new ATOM 0 HD1 PHE A 31 20.883 -2.005 -7.031 1.00 44.33 H new ATOM 0 HD2 PHE A 31 21.292 -0.258 -10.895 1.00 15.41 H new ATOM 0 HE1 PHE A 31 18.884 -0.637 -6.621 1.00 12.13 H new ATOM 0 HE2 PHE A 31 19.293 1.112 -10.487 1.00 10.02 H new ATOM 0 HZ PHE A 31 18.083 0.922 -8.350 1.00 74.14 H new ATOM 498 N ASP A 32 24.404 -4.305 -9.678 1.00 14.12 N ATOM 499 CA ASP A 32 25.473 -5.199 -9.248 1.00 15.34 C ATOM 500 C ASP A 32 26.612 -4.413 -8.606 1.00 65.45 C ATOM 501 O ASP A 32 27.585 -4.993 -8.127 1.00 25.25 O ATOM 502 CB ASP A 32 25.998 -6.008 -10.434 1.00 43.12 C ATOM 503 CG ASP A 32 25.792 -7.499 -10.255 1.00 20.12 C ATOM 504 OD1 ASP A 32 26.742 -8.266 -10.520 1.00 12.14 O ATOM 505 OD2 ASP A 32 24.681 -7.899 -9.849 1.00 22.41 O ATOM 0 H ASP A 32 24.702 -3.568 -10.317 1.00 14.12 H new ATOM 0 HA ASP A 32 25.065 -5.884 -8.505 1.00 15.34 H new ATOM 0 HB2 ASP A 32 25.495 -5.681 -11.344 1.00 43.12 H new ATOM 0 HB3 ASP A 32 27.061 -5.804 -10.567 1.00 43.12 H new ATOM 510 N ASN A 33 26.485 -3.090 -8.604 1.00 33.53 N ATOM 511 CA ASN A 33 27.505 -2.225 -8.023 1.00 62.32 C ATOM 512 C ASN A 33 26.894 -1.276 -6.997 1.00 30.00 C ATOM 513 O ASN A 33 27.594 -0.463 -6.393 1.00 14.23 O ATOM 514 CB ASN A 33 28.208 -1.424 -9.120 1.00 44.25 C ATOM 515 CG ASN A 33 29.707 -1.656 -9.136 1.00 10.12 C ATOM 516 OD1 ASN A 33 30.493 -0.710 -9.085 1.00 43.04 O ATOM 517 ND2 ASN A 33 30.109 -2.920 -9.206 1.00 1.51 N ATOM 0 H ASN A 33 25.686 -2.594 -8.998 1.00 33.53 H new ATOM 0 HA ASN A 33 28.236 -2.856 -7.517 1.00 62.32 H new ATOM 0 HB2 ASN A 33 27.791 -1.697 -10.089 1.00 44.25 H new ATOM 0 HB3 ASN A 33 28.009 -0.362 -8.975 1.00 44.25 H new ATOM 0 HD21 ASN A 33 31.105 -3.138 -9.219 1.00 1.51 H new ATOM 0 HD22 ASN A 33 29.421 -3.672 -9.246 1.00 1.51 H new ATOM 524 N LYS A 34 25.584 -1.386 -6.804 1.00 51.34 N ATOM 525 CA LYS A 34 24.877 -0.540 -5.850 1.00 51.33 C ATOM 526 C LYS A 34 24.157 -1.384 -4.803 1.00 43.14 C ATOM 527 O LYS A 34 23.392 -0.864 -3.991 1.00 21.54 O ATOM 528 CB LYS A 34 23.871 0.355 -6.578 1.00 42.14 C ATOM 529 CG LYS A 34 24.484 1.166 -7.707 1.00 3.54 C ATOM 530 CD LYS A 34 25.447 2.217 -7.179 1.00 20.13 C ATOM 531 CE LYS A 34 24.761 3.563 -7.000 1.00 73.53 C ATOM 532 NZ LYS A 34 25.736 4.648 -6.704 1.00 24.23 N ATOM 0 H LYS A 34 24.990 -2.053 -7.296 1.00 51.34 H new ATOM 0 HA LYS A 34 25.612 0.086 -5.344 1.00 51.33 H new ATOM 0 HB2 LYS A 34 23.070 -0.265 -6.981 1.00 42.14 H new ATOM 0 HB3 LYS A 34 23.416 1.036 -5.859 1.00 42.14 H new ATOM 0 HG2 LYS A 34 25.010 0.500 -8.391 1.00 3.54 H new ATOM 0 HG3 LYS A 34 23.693 1.651 -8.279 1.00 3.54 H new ATOM 0 HD2 LYS A 34 25.859 1.888 -6.225 1.00 20.13 H new ATOM 0 HD3 LYS A 34 26.285 2.323 -7.868 1.00 20.13 H new ATOM 0 HE2 LYS A 34 24.206 3.811 -7.905 1.00 73.53 H new ATOM 0 HE3 LYS A 34 24.036 3.496 -6.189 1.00 73.53 H new ATOM 0 HZ1 LYS A 34 25.229 5.549 -6.589 1.00 24.23 H new ATOM 0 HZ2 LYS A 34 26.248 4.425 -5.827 1.00 24.23 H new ATOM 0 HZ3 LYS A 34 26.413 4.730 -7.489 1.00 24.23 H new ATOM 546 N LYS A 35 24.408 -2.688 -4.827 1.00 64.54 N ATOM 547 CA LYS A 35 23.787 -3.605 -3.879 1.00 22.30 C ATOM 548 C LYS A 35 23.978 -3.118 -2.446 1.00 54.53 C ATOM 549 O LYS A 35 24.929 -2.396 -2.147 1.00 2.43 O ATOM 550 CB LYS A 35 24.377 -5.009 -4.034 1.00 2.12 C ATOM 551 CG LYS A 35 25.896 -5.031 -4.057 1.00 73.23 C ATOM 552 CD LYS A 35 26.429 -5.172 -5.473 1.00 64.00 C ATOM 553 CE LYS A 35 27.261 -6.435 -5.632 1.00 25.32 C ATOM 554 NZ LYS A 35 28.722 -6.148 -5.583 1.00 13.44 N ATOM 0 H LYS A 35 25.038 -3.134 -5.494 1.00 64.54 H new ATOM 0 HA LYS A 35 22.719 -3.640 -4.093 1.00 22.30 H new ATOM 0 HB2 LYS A 35 24.025 -5.635 -3.214 1.00 2.12 H new ATOM 0 HB3 LYS A 35 24.001 -5.452 -4.956 1.00 2.12 H new ATOM 0 HG2 LYS A 35 26.281 -4.114 -3.612 1.00 73.23 H new ATOM 0 HG3 LYS A 35 26.258 -5.858 -3.447 1.00 73.23 H new ATOM 0 HD2 LYS A 35 25.596 -5.193 -6.176 1.00 64.00 H new ATOM 0 HD3 LYS A 35 27.036 -4.302 -5.723 1.00 64.00 H new ATOM 0 HE2 LYS A 35 27.003 -7.141 -4.843 1.00 25.32 H new ATOM 0 HE3 LYS A 35 27.017 -6.914 -6.580 1.00 25.32 H new ATOM 0 HZ1 LYS A 35 29.250 -7.043 -5.541 1.00 13.44 H new ATOM 0 HZ2 LYS A 35 29.001 -5.620 -6.435 1.00 13.44 H new ATOM 0 HZ3 LYS A 35 28.936 -5.580 -4.738 1.00 13.44 H new ATOM 568 N CYS A 36 23.068 -3.517 -1.564 1.00 71.32 N ATOM 569 CA CYS A 36 23.136 -3.122 -0.162 1.00 73.25 C ATOM 570 C CYS A 36 24.486 -3.495 0.443 1.00 32.31 C ATOM 571 O CYS A 36 24.771 -4.670 0.678 1.00 33.13 O ATOM 572 CB CYS A 36 22.008 -3.785 0.631 1.00 11.10 C ATOM 573 SG CYS A 36 20.422 -2.891 0.558 1.00 43.14 S ATOM 0 H CYS A 36 22.274 -4.114 -1.795 1.00 71.32 H new ATOM 0 HA CYS A 36 23.021 -2.039 -0.109 1.00 73.25 H new ATOM 0 HB2 CYS A 36 21.860 -4.797 0.254 1.00 11.10 H new ATOM 0 HB3 CYS A 36 22.315 -3.874 1.673 1.00 11.10 H new ATOM 578 N THR A 37 25.315 -2.487 0.694 1.00 52.41 N ATOM 579 CA THR A 37 26.635 -2.708 1.271 1.00 53.51 C ATOM 580 C THR A 37 26.747 -2.066 2.649 1.00 34.12 C ATOM 581 O THR A 37 27.726 -1.383 2.950 1.00 32.23 O ATOM 582 CB THR A 37 27.746 -2.145 0.364 1.00 74.41 C ATOM 583 OG1 THR A 37 29.028 -2.379 0.957 1.00 14.35 O ATOM 584 CG2 THR A 37 27.552 -0.654 0.132 1.00 22.42 C ATOM 0 H THR A 37 25.095 -1.509 0.507 1.00 52.41 H new ATOM 0 HA THR A 37 26.763 -3.787 1.364 1.00 53.51 H new ATOM 0 HB THR A 37 27.693 -2.655 -0.598 1.00 74.41 H new ATOM 0 HG1 THR A 37 29.057 -1.969 1.847 1.00 14.35 H new ATOM 0 HG21 THR A 37 28.348 -0.279 -0.511 1.00 22.42 H new ATOM 0 HG22 THR A 37 26.588 -0.483 -0.347 1.00 22.42 H new ATOM 0 HG23 THR A 37 27.581 -0.130 1.088 1.00 22.42 H new ATOM 592 N LYS A 38 25.738 -2.290 3.485 1.00 71.34 N ATOM 593 CA LYS A 38 25.723 -1.736 4.833 1.00 21.01 C ATOM 594 C LYS A 38 24.747 -2.498 5.724 1.00 61.11 C ATOM 595 O LYS A 38 23.775 -3.078 5.241 1.00 73.51 O ATOM 596 CB LYS A 38 25.343 -0.254 4.793 1.00 23.15 C ATOM 597 CG LYS A 38 26.429 0.667 5.322 1.00 24.55 C ATOM 598 CD LYS A 38 26.222 0.986 6.793 1.00 12.33 C ATOM 599 CE LYS A 38 27.524 0.892 7.573 1.00 2.54 C ATOM 600 NZ LYS A 38 27.422 1.551 8.905 1.00 33.43 N ATOM 0 H LYS A 38 24.919 -2.852 3.252 1.00 71.34 H new ATOM 0 HA LYS A 38 26.724 -1.837 5.252 1.00 21.01 H new ATOM 0 HB2 LYS A 38 25.110 0.025 3.765 1.00 23.15 H new ATOM 0 HB3 LYS A 38 24.435 -0.104 5.377 1.00 23.15 H new ATOM 0 HG2 LYS A 38 27.404 0.199 5.184 1.00 24.55 H new ATOM 0 HG3 LYS A 38 26.435 1.592 4.746 1.00 24.55 H new ATOM 0 HD2 LYS A 38 25.808 1.989 6.894 1.00 12.33 H new ATOM 0 HD3 LYS A 38 25.492 0.296 7.217 1.00 12.33 H new ATOM 0 HE2 LYS A 38 27.793 -0.156 7.706 1.00 2.54 H new ATOM 0 HE3 LYS A 38 28.326 1.356 6.999 1.00 2.54 H new ATOM 0 HZ1 LYS A 38 28.330 1.465 9.405 1.00 33.43 H new ATOM 0 HZ2 LYS A 38 27.191 2.557 8.778 1.00 33.43 H new ATOM 0 HZ3 LYS A 38 26.674 1.092 9.463 1.00 33.43 H new ATOM 614 N ASP A 39 25.012 -2.491 7.026 1.00 62.05 N ATOM 615 CA ASP A 39 24.156 -3.180 7.984 1.00 15.40 C ATOM 616 C ASP A 39 23.010 -2.279 8.434 1.00 55.32 C ATOM 617 O ASP A 39 23.233 -1.208 8.997 1.00 21.20 O ATOM 618 CB ASP A 39 24.971 -3.632 9.196 1.00 1.13 C ATOM 619 CG ASP A 39 25.703 -2.484 9.863 1.00 43.44 C ATOM 620 OD1 ASP A 39 25.099 -1.817 10.728 1.00 14.44 O ATOM 621 OD2 ASP A 39 26.881 -2.253 9.519 1.00 42.51 O ATOM 0 H ASP A 39 25.813 -2.016 7.442 1.00 62.05 H new ATOM 0 HA ASP A 39 23.734 -4.057 7.492 1.00 15.40 H new ATOM 0 HB2 ASP A 39 24.308 -4.106 9.920 1.00 1.13 H new ATOM 0 HB3 ASP A 39 25.693 -4.387 8.884 1.00 1.13 H new ATOM 626 N ASN A 40 21.782 -2.720 8.180 1.00 71.13 N ATOM 627 CA ASN A 40 20.600 -1.953 8.557 1.00 45.30 C ATOM 628 C ASN A 40 20.529 -0.645 7.775 1.00 54.13 C ATOM 629 O ASN A 40 20.213 0.406 8.331 1.00 41.13 O ATOM 630 CB ASN A 40 20.614 -1.661 10.059 1.00 61.50 C ATOM 631 CG ASN A 40 21.184 -2.812 10.866 1.00 75.31 C ATOM 632 OD1 ASN A 40 20.815 -3.969 10.663 1.00 20.31 O ATOM 633 ND2 ASN A 40 22.087 -2.499 11.787 1.00 11.33 N ATOM 0 H ASN A 40 21.580 -3.605 7.715 1.00 71.13 H new ATOM 0 HA ASN A 40 19.719 -2.548 8.317 1.00 45.30 H new ATOM 0 HB2 ASN A 40 21.202 -0.763 10.246 1.00 61.50 H new ATOM 0 HB3 ASN A 40 19.598 -1.453 10.395 1.00 61.50 H new ATOM 0 HD21 ASN A 40 22.505 -3.231 12.361 1.00 11.33 H new ATOM 0 HD22 ASN A 40 22.363 -1.526 11.921 1.00 11.33 H new ATOM 640 N ASN A 41 20.823 -0.719 6.481 1.00 42.33 N ATOM 641 CA ASN A 41 20.792 0.459 5.621 1.00 0.13 C ATOM 642 C ASN A 41 19.361 0.802 5.220 1.00 74.00 C ATOM 643 O ASN A 41 18.403 0.252 5.764 1.00 54.02 O ATOM 644 CB ASN A 41 21.642 0.226 4.371 1.00 43.42 C ATOM 645 CG ASN A 41 21.128 -0.924 3.528 1.00 74.24 C ATOM 646 OD1 ASN A 41 20.156 -0.778 2.785 1.00 24.52 O ATOM 647 ND2 ASN A 41 21.778 -2.077 3.639 1.00 3.51 N ATOM 0 H ASN A 41 21.085 -1.582 6.005 1.00 42.33 H new ATOM 0 HA ASN A 41 21.204 1.298 6.181 1.00 0.13 H new ATOM 0 HB2 ASN A 41 21.656 1.135 3.770 1.00 43.42 H new ATOM 0 HB3 ASN A 41 22.671 0.024 4.667 1.00 43.42 H new ATOM 0 HD21 ASN A 41 21.477 -2.886 3.096 1.00 3.51 H new ATOM 0 HD22 ASN A 41 22.578 -2.153 4.267 1.00 3.51 H new ATOM 654 N LYS A 42 19.222 1.714 4.264 1.00 44.31 N ATOM 655 CA LYS A 42 17.909 2.130 3.787 1.00 51.42 C ATOM 656 C LYS A 42 17.603 1.511 2.427 1.00 51.43 C ATOM 657 O LYS A 42 18.213 1.869 1.419 1.00 40.42 O ATOM 658 CB LYS A 42 17.838 3.656 3.692 1.00 12.23 C ATOM 659 CG LYS A 42 16.421 4.203 3.736 1.00 24.13 C ATOM 660 CD LYS A 42 15.944 4.626 2.357 1.00 33.31 C ATOM 661 CE LYS A 42 14.892 5.721 2.443 1.00 32.11 C ATOM 662 NZ LYS A 42 13.513 5.179 2.293 1.00 60.33 N ATOM 0 H LYS A 42 20.004 2.180 3.804 1.00 44.31 H new ATOM 0 HA LYS A 42 17.163 1.781 4.501 1.00 51.42 H new ATOM 0 HB2 LYS A 42 18.412 4.090 4.511 1.00 12.23 H new ATOM 0 HB3 LYS A 42 18.314 3.977 2.765 1.00 12.23 H new ATOM 0 HG2 LYS A 42 15.749 3.444 4.137 1.00 24.13 H new ATOM 0 HG3 LYS A 42 16.380 5.056 4.414 1.00 24.13 H new ATOM 0 HD2 LYS A 42 16.792 4.980 1.770 1.00 33.31 H new ATOM 0 HD3 LYS A 42 15.531 3.764 1.833 1.00 33.31 H new ATOM 0 HE2 LYS A 42 14.979 6.233 3.401 1.00 32.11 H new ATOM 0 HE3 LYS A 42 15.077 6.464 1.667 1.00 32.11 H new ATOM 0 HZ1 LYS A 42 12.825 5.957 2.357 1.00 60.33 H new ATOM 0 HZ2 LYS A 42 13.422 4.712 1.368 1.00 60.33 H new ATOM 0 HZ3 LYS A 42 13.327 4.489 3.049 1.00 60.33 H new ATOM 676 N CYS A 43 16.653 0.582 2.405 1.00 65.01 N ATOM 677 CA CYS A 43 16.265 -0.086 1.169 1.00 61.32 C ATOM 678 C CYS A 43 14.782 -0.445 1.187 1.00 11.30 C ATOM 679 O CYS A 43 14.265 -0.950 2.184 1.00 4.03 O ATOM 680 CB CYS A 43 17.104 -1.349 0.962 1.00 73.10 C ATOM 681 SG CYS A 43 16.839 -2.633 2.227 1.00 1.11 S ATOM 0 H CYS A 43 16.138 0.275 3.230 1.00 65.01 H new ATOM 0 HA CYS A 43 16.445 0.601 0.342 1.00 61.32 H new ATOM 0 HB2 CYS A 43 16.876 -1.767 -0.018 1.00 73.10 H new ATOM 0 HB3 CYS A 43 18.159 -1.074 0.954 1.00 73.10 H new ATOM 686 N THR A 44 14.101 -0.180 0.076 1.00 0.13 N ATOM 687 CA THR A 44 12.678 -0.473 -0.036 1.00 71.10 C ATOM 688 C THR A 44 12.429 -1.628 -0.999 1.00 73.12 C ATOM 689 O THR A 44 13.154 -1.800 -1.979 1.00 55.34 O ATOM 690 CB THR A 44 11.886 0.759 -0.514 1.00 65.12 C ATOM 691 OG1 THR A 44 12.604 1.428 -1.557 1.00 25.11 O ATOM 692 CG2 THR A 44 11.638 1.723 0.636 1.00 22.55 C ATOM 0 H THR A 44 14.513 0.237 -0.759 1.00 0.13 H new ATOM 0 HA THR A 44 12.334 -0.753 0.960 1.00 71.10 H new ATOM 0 HB THR A 44 10.923 0.419 -0.896 1.00 65.12 H new ATOM 0 HG1 THR A 44 12.093 2.209 -1.857 1.00 25.11 H new ATOM 0 HG21 THR A 44 11.077 2.585 0.274 1.00 22.55 H new ATOM 0 HG22 THR A 44 11.066 1.220 1.416 1.00 22.55 H new ATOM 0 HG23 THR A 44 12.592 2.056 1.044 1.00 22.55 H new ATOM 700 N VAL A 45 11.398 -2.418 -0.714 1.00 64.35 N ATOM 701 CA VAL A 45 11.052 -3.557 -1.557 1.00 44.21 C ATOM 702 C VAL A 45 9.679 -3.372 -2.194 1.00 25.24 C ATOM 703 O VAL A 45 8.770 -2.811 -1.582 1.00 24.25 O ATOM 704 CB VAL A 45 11.062 -4.872 -0.755 1.00 52.23 C ATOM 705 CG1 VAL A 45 10.670 -6.042 -1.644 1.00 61.33 C ATOM 706 CG2 VAL A 45 12.428 -5.103 -0.127 1.00 51.41 C ATOM 0 H VAL A 45 10.788 -2.290 0.094 1.00 64.35 H new ATOM 0 HA VAL A 45 11.808 -3.613 -2.340 1.00 44.21 H new ATOM 0 HB VAL A 45 10.328 -4.794 0.047 1.00 52.23 H new ATOM 0 HG11 VAL A 45 10.683 -6.963 -1.060 1.00 61.33 H new ATOM 0 HG12 VAL A 45 9.668 -5.878 -2.041 1.00 61.33 H new ATOM 0 HG13 VAL A 45 11.378 -6.126 -2.469 1.00 61.33 H new ATOM 0 HG21 VAL A 45 12.417 -6.036 0.436 1.00 51.41 H new ATOM 0 HG22 VAL A 45 13.184 -5.161 -0.910 1.00 51.41 H new ATOM 0 HG23 VAL A 45 12.664 -4.277 0.544 1.00 51.41 H new ATOM 716 N ASP A 46 9.536 -3.848 -3.425 1.00 70.15 N ATOM 717 CA ASP A 46 8.273 -3.737 -4.146 1.00 33.34 C ATOM 718 C ASP A 46 7.638 -5.110 -4.343 1.00 72.25 C ATOM 719 O ASP A 46 8.309 -6.068 -4.730 1.00 2.41 O ATOM 720 CB ASP A 46 8.491 -3.063 -5.501 1.00 1.32 C ATOM 721 CG ASP A 46 7.777 -1.729 -5.606 1.00 21.45 C ATOM 722 OD1 ASP A 46 8.450 -0.717 -5.893 1.00 15.35 O ATOM 723 OD2 ASP A 46 6.546 -1.699 -5.401 1.00 53.24 O ATOM 0 H ASP A 46 10.279 -4.315 -3.945 1.00 70.15 H new ATOM 0 HA ASP A 46 7.596 -3.125 -3.550 1.00 33.34 H new ATOM 0 HB2 ASP A 46 9.559 -2.914 -5.662 1.00 1.32 H new ATOM 0 HB3 ASP A 46 8.139 -3.724 -6.293 1.00 1.32 H new ATOM 728 N THR A 47 6.339 -5.200 -4.075 1.00 32.32 N ATOM 729 CA THR A 47 5.613 -6.456 -4.221 1.00 4.22 C ATOM 730 C THR A 47 4.654 -6.402 -5.405 1.00 24.34 C ATOM 731 O THR A 47 3.847 -7.311 -5.604 1.00 2.54 O ATOM 732 CB THR A 47 4.819 -6.797 -2.946 1.00 71.11 C ATOM 733 OG1 THR A 47 4.262 -8.112 -3.053 1.00 55.25 O ATOM 734 CG2 THR A 47 3.706 -5.786 -2.715 1.00 72.23 C ATOM 0 H THR A 47 5.768 -4.418 -3.756 1.00 32.32 H new ATOM 0 HA THR A 47 6.357 -7.233 -4.395 1.00 4.22 H new ATOM 0 HB THR A 47 5.503 -6.761 -2.098 1.00 71.11 H new ATOM 0 HG1 THR A 47 3.939 -8.257 -3.967 1.00 55.25 H new ATOM 0 HG21 THR A 47 3.159 -6.048 -1.809 1.00 72.23 H new ATOM 0 HG22 THR A 47 4.136 -4.790 -2.605 1.00 72.23 H new ATOM 0 HG23 THR A 47 3.024 -5.795 -3.565 1.00 72.23 H new ATOM 742 N TYR A 48 4.748 -5.334 -6.188 1.00 3.31 N ATOM 743 CA TYR A 48 3.887 -5.161 -7.352 1.00 22.31 C ATOM 744 C TYR A 48 4.706 -5.152 -8.639 1.00 4.51 C ATOM 745 O TYR A 48 4.189 -5.430 -9.719 1.00 75.24 O ATOM 746 CB TYR A 48 3.088 -3.863 -7.233 1.00 52.42 C ATOM 747 CG TYR A 48 1.928 -3.775 -8.200 1.00 3.24 C ATOM 748 CD1 TYR A 48 2.128 -3.398 -9.522 1.00 61.53 C ATOM 749 CD2 TYR A 48 0.633 -4.067 -7.790 1.00 62.13 C ATOM 750 CE1 TYR A 48 1.072 -3.316 -10.409 1.00 33.12 C ATOM 751 CE2 TYR A 48 -0.429 -3.989 -8.670 1.00 42.12 C ATOM 752 CZ TYR A 48 -0.205 -3.613 -9.978 1.00 44.22 C ATOM 753 OH TYR A 48 -1.260 -3.532 -10.857 1.00 71.34 O ATOM 0 H TYR A 48 5.412 -4.574 -6.038 1.00 3.31 H new ATOM 0 HA TYR A 48 3.196 -6.003 -7.389 1.00 22.31 H new ATOM 0 HB2 TYR A 48 2.709 -3.771 -6.215 1.00 52.42 H new ATOM 0 HB3 TYR A 48 3.756 -3.018 -7.402 1.00 52.42 H new ATOM 0 HD1 TYR A 48 3.126 -3.165 -9.862 1.00 61.53 H new ATOM 0 HD2 TYR A 48 0.454 -4.360 -6.766 1.00 62.13 H new ATOM 0 HE1 TYR A 48 1.245 -3.021 -11.434 1.00 33.12 H new ATOM 0 HE2 TYR A 48 -1.429 -4.221 -8.336 1.00 42.12 H new ATOM 0 HH TYR A 48 -2.090 -3.774 -10.395 1.00 71.34 H new ATOM 763 N ASN A 49 5.990 -4.829 -8.513 1.00 54.14 N ATOM 764 CA ASN A 49 6.882 -4.782 -9.666 1.00 23.53 C ATOM 765 C ASN A 49 8.019 -5.789 -9.514 1.00 73.14 C ATOM 766 O ASN A 49 8.741 -6.073 -10.469 1.00 1.02 O ATOM 767 CB ASN A 49 7.454 -3.374 -9.838 1.00 54.41 C ATOM 768 CG ASN A 49 8.580 -3.326 -10.853 1.00 34.52 C ATOM 769 OD1 ASN A 49 8.350 -3.102 -12.041 1.00 41.13 O ATOM 770 ND2 ASN A 49 9.805 -3.539 -10.387 1.00 11.00 N ATOM 0 H ASN A 49 6.435 -4.596 -7.625 1.00 54.14 H new ATOM 0 HA ASN A 49 6.304 -5.043 -10.552 1.00 23.53 H new ATOM 0 HB2 ASN A 49 6.658 -2.697 -10.150 1.00 54.41 H new ATOM 0 HB3 ASN A 49 7.820 -3.014 -8.877 1.00 54.41 H new ATOM 0 HD21 ASN A 49 10.603 -3.521 -11.022 1.00 11.00 H new ATOM 0 HD22 ASN A 49 9.948 -3.721 -9.394 1.00 11.00 H new ATOM 777 N ASN A 50 8.170 -6.326 -8.308 1.00 12.22 N ATOM 778 CA ASN A 50 9.218 -7.301 -8.031 1.00 21.10 C ATOM 779 C ASN A 50 10.600 -6.675 -8.192 1.00 50.01 C ATOM 780 O ASN A 50 11.246 -6.830 -9.228 1.00 53.31 O ATOM 781 CB ASN A 50 9.080 -8.507 -8.963 1.00 25.05 C ATOM 782 CG ASN A 50 9.748 -9.749 -8.403 1.00 51.34 C ATOM 783 OD1 ASN A 50 10.921 -10.010 -8.670 1.00 1.30 O ATOM 784 ND2 ASN A 50 9.001 -10.521 -7.623 1.00 71.44 N ATOM 0 H ASN A 50 7.580 -6.102 -7.507 1.00 12.22 H new ATOM 0 HA ASN A 50 9.107 -7.633 -6.999 1.00 21.10 H new ATOM 0 HB2 ASN A 50 8.023 -8.712 -9.134 1.00 25.05 H new ATOM 0 HB3 ASN A 50 9.519 -8.267 -9.931 1.00 25.05 H new ATOM 0 HD21 ASN A 50 9.395 -11.370 -7.218 1.00 71.44 H new ATOM 0 HD22 ASN A 50 8.033 -10.265 -7.429 1.00 71.44 H new ATOM 791 N ALA A 51 11.047 -5.968 -7.159 1.00 43.15 N ATOM 792 CA ALA A 51 12.353 -5.321 -7.185 1.00 41.31 C ATOM 793 C ALA A 51 12.639 -4.608 -5.867 1.00 75.15 C ATOM 794 O ALA A 51 11.742 -4.418 -5.046 1.00 14.20 O ATOM 795 CB ALA A 51 12.433 -4.340 -8.346 1.00 25.32 C ATOM 0 H ALA A 51 10.524 -5.829 -6.294 1.00 43.15 H new ATOM 0 HA ALA A 51 13.111 -6.093 -7.322 1.00 41.31 H new ATOM 0 HB1 ALA A 51 13.414 -3.864 -8.353 1.00 25.32 H new ATOM 0 HB2 ALA A 51 12.282 -4.874 -9.284 1.00 25.32 H new ATOM 0 HB3 ALA A 51 11.661 -3.579 -8.233 1.00 25.32 H new ATOM 801 N VAL A 52 13.894 -4.217 -5.672 1.00 14.45 N ATOM 802 CA VAL A 52 14.297 -3.524 -4.453 1.00 62.44 C ATOM 803 C VAL A 52 15.083 -2.258 -4.775 1.00 74.14 C ATOM 804 O VAL A 52 15.613 -2.107 -5.876 1.00 23.40 O ATOM 805 CB VAL A 52 15.154 -4.431 -3.550 1.00 63.24 C ATOM 806 CG1 VAL A 52 16.602 -4.436 -4.018 1.00 73.31 C ATOM 807 CG2 VAL A 52 15.056 -3.984 -2.100 1.00 13.03 C ATOM 0 H VAL A 52 14.649 -4.368 -6.341 1.00 14.45 H new ATOM 0 HA VAL A 52 13.383 -3.256 -3.924 1.00 62.44 H new ATOM 0 HB VAL A 52 14.771 -5.449 -3.619 1.00 63.24 H new ATOM 0 HG11 VAL A 52 17.192 -5.082 -3.368 1.00 73.31 H new ATOM 0 HG12 VAL A 52 16.652 -4.807 -5.042 1.00 73.31 H new ATOM 0 HG13 VAL A 52 17.000 -3.422 -3.980 1.00 73.31 H new ATOM 0 HG21 VAL A 52 15.668 -4.636 -1.476 1.00 13.03 H new ATOM 0 HG22 VAL A 52 15.412 -2.958 -2.011 1.00 13.03 H new ATOM 0 HG23 VAL A 52 14.018 -4.038 -1.772 1.00 13.03 H new ATOM 817 N ASP A 53 15.153 -1.350 -3.808 1.00 71.30 N ATOM 818 CA ASP A 53 15.875 -0.096 -3.987 1.00 62.24 C ATOM 819 C ASP A 53 16.998 0.036 -2.963 1.00 35.24 C ATOM 820 O ASP A 53 17.004 0.960 -2.149 1.00 20.23 O ATOM 821 CB ASP A 53 14.917 1.090 -3.869 1.00 3.22 C ATOM 822 CG ASP A 53 14.244 1.425 -5.185 1.00 60.54 C ATOM 823 OD1 ASP A 53 14.949 1.483 -6.215 1.00 30.42 O ATOM 824 OD2 ASP A 53 13.012 1.627 -5.186 1.00 50.25 O ATOM 0 H ASP A 53 14.718 -1.459 -2.892 1.00 71.30 H new ATOM 0 HA ASP A 53 16.316 -0.098 -4.984 1.00 62.24 H new ATOM 0 HB2 ASP A 53 14.156 0.865 -3.122 1.00 3.22 H new ATOM 0 HB3 ASP A 53 15.465 1.962 -3.513 1.00 3.22 H new ATOM 829 N CYS A 54 17.945 -0.895 -3.007 1.00 41.33 N ATOM 830 CA CYS A 54 19.072 -0.884 -2.083 1.00 20.35 C ATOM 831 C CYS A 54 19.742 0.486 -2.057 1.00 43.42 C ATOM 832 O CYS A 54 19.661 1.247 -3.022 1.00 70.42 O ATOM 833 CB CYS A 54 20.091 -1.955 -2.476 1.00 23.33 C ATOM 834 SG CYS A 54 20.512 -1.966 -4.248 1.00 64.10 S ATOM 0 H CYS A 54 17.954 -1.667 -3.673 1.00 41.33 H new ATOM 0 HA CYS A 54 18.693 -1.102 -1.085 1.00 20.35 H new ATOM 0 HB2 CYS A 54 21.003 -1.804 -1.898 1.00 23.33 H new ATOM 0 HB3 CYS A 54 19.698 -2.934 -2.201 1.00 23.33 H new ATOM 839 N ASP A 55 20.404 0.795 -0.947 1.00 60.43 N ATOM 840 CA ASP A 55 21.090 2.073 -0.796 1.00 32.31 C ATOM 841 C ASP A 55 22.278 2.168 -1.748 1.00 21.12 C ATOM 842 O ASP A 55 23.280 1.472 -1.577 1.00 2.12 O ATOM 843 CB ASP A 55 21.561 2.255 0.648 1.00 50.03 C ATOM 844 CG ASP A 55 22.628 3.324 0.778 1.00 41.02 C ATOM 845 OD1 ASP A 55 22.492 4.381 0.126 1.00 65.33 O ATOM 846 OD2 ASP A 55 23.598 3.104 1.532 1.00 3.54 O ATOM 0 H ASP A 55 20.480 0.178 -0.139 1.00 60.43 H new ATOM 0 HA ASP A 55 20.386 2.867 -1.043 1.00 32.31 H new ATOM 0 HB2 ASP A 55 20.709 2.518 1.275 1.00 50.03 H new ATOM 0 HB3 ASP A 55 21.951 1.309 1.022 1.00 50.03 H new