USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=13 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 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 44 THR OG1 : rot 35:sc= -0.127 USER MOD Set 2.1: A 18 ASN : amide:sc= -1.72 K(o=-2.1,f=0.75) USER MOD Set 2.2: A 24 THR OG1 : rot -150:sc= -0.428 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -3.51 K(o=-3.5,f=-9.2!) USER MOD Single : A 15 LYS NZ :NH3+ -158:sc= -0.124 (180deg=-0.356) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -137:sc= 0.644 (180deg=0.0303) 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= -0.112 X(o=-0.11,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -169:sc= 0.187 (180deg=0.154) 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= -0.75 K(o=-0.75,f=-2.5) USER MOD Single : A 41 ASN : amide:sc= 0.414 K(o=0.41,f=1) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -55:sc= 0.861 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.031 X(o=-0.031,f=0.05) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 11 N LYS A 2 4.125 -0.096 -0.956 1.00 70.12 N ATOM 12 CA LYS A 2 5.445 -0.709 -0.865 1.00 72.01 C ATOM 13 C LYS A 2 5.801 -1.022 0.585 1.00 54.31 C ATOM 14 O LYS A 2 4.995 -0.809 1.492 1.00 43.54 O ATOM 15 CB LYS A 2 6.502 0.215 -1.473 1.00 2.52 C ATOM 16 CG LYS A 2 6.643 1.541 -0.744 1.00 75.31 C ATOM 17 CD LYS A 2 8.084 2.021 -0.733 1.00 21.13 C ATOM 18 CE LYS A 2 8.281 3.217 -1.652 1.00 34.40 C ATOM 19 NZ LYS A 2 9.275 4.180 -1.104 1.00 12.33 N ATOM 0 HA LYS A 2 5.423 -1.644 -1.425 1.00 72.01 H new ATOM 0 HB2 LYS A 2 7.465 -0.296 -1.469 1.00 2.52 H new ATOM 0 HB3 LYS A 2 6.248 0.408 -2.515 1.00 2.52 H new ATOM 0 HG2 LYS A 2 6.013 2.290 -1.224 1.00 75.31 H new ATOM 0 HG3 LYS A 2 6.287 1.434 0.280 1.00 75.31 H new ATOM 0 HD2 LYS A 2 8.371 2.291 0.283 1.00 21.13 H new ATOM 0 HD3 LYS A 2 8.741 1.209 -1.045 1.00 21.13 H new ATOM 0 HE2 LYS A 2 8.612 2.872 -2.631 1.00 34.40 H new ATOM 0 HE3 LYS A 2 7.327 3.724 -1.798 1.00 34.40 H new ATOM 0 HZ1 LYS A 2 9.381 4.981 -1.759 1.00 12.33 H new ATOM 0 HZ2 LYS A 2 8.947 4.529 -0.181 1.00 12.33 H new ATOM 0 HZ3 LYS A 2 10.192 3.704 -0.988 1.00 12.33 H new ATOM 33 N TYR A 3 7.011 -1.527 0.796 1.00 12.44 N ATOM 34 CA TYR A 3 7.472 -1.869 2.136 1.00 25.34 C ATOM 35 C TYR A 3 8.823 -1.223 2.429 1.00 0.12 C ATOM 36 O TYR A 3 9.614 -0.968 1.520 1.00 20.42 O ATOM 37 CB TYR A 3 7.577 -3.388 2.290 1.00 42.43 C ATOM 38 CG TYR A 3 6.277 -4.114 2.027 1.00 3.24 C ATOM 39 CD1 TYR A 3 6.121 -4.914 0.902 1.00 13.11 C ATOM 40 CD2 TYR A 3 5.205 -3.999 2.904 1.00 64.32 C ATOM 41 CE1 TYR A 3 4.935 -5.579 0.658 1.00 53.21 C ATOM 42 CE2 TYR A 3 4.016 -4.662 2.668 1.00 3.44 C ATOM 43 CZ TYR A 3 3.886 -5.450 1.544 1.00 14.11 C ATOM 44 OH TYR A 3 2.702 -6.110 1.305 1.00 22.33 O ATOM 0 H TYR A 3 7.690 -1.709 0.057 1.00 12.44 H new ATOM 0 HA TYR A 3 6.744 -1.487 2.851 1.00 25.34 H new ATOM 0 HB2 TYR A 3 8.338 -3.763 1.605 1.00 42.43 H new ATOM 0 HB3 TYR A 3 7.915 -3.620 3.300 1.00 42.43 H new ATOM 0 HD1 TYR A 3 6.941 -5.018 0.206 1.00 13.11 H new ATOM 0 HD2 TYR A 3 5.303 -3.381 3.784 1.00 64.32 H new ATOM 0 HE1 TYR A 3 4.830 -6.197 -0.222 1.00 53.21 H new ATOM 0 HE2 TYR A 3 3.193 -4.564 3.360 1.00 3.44 H new ATOM 0 HH TYR A 3 2.067 -5.914 2.025 1.00 22.33 H new ATOM 54 N THR A 4 9.081 -0.960 3.707 1.00 43.35 N ATOM 55 CA THR A 4 10.335 -0.343 4.121 1.00 11.25 C ATOM 56 C THR A 4 11.135 -1.276 5.022 1.00 24.51 C ATOM 57 O THR A 4 10.586 -1.907 5.924 1.00 12.24 O ATOM 58 CB THR A 4 10.089 0.984 4.865 1.00 22.41 C ATOM 59 OG1 THR A 4 9.214 1.820 4.100 1.00 60.53 O ATOM 60 CG2 THR A 4 11.400 1.712 5.120 1.00 61.00 C ATOM 0 H THR A 4 8.438 -1.165 4.472 1.00 43.35 H new ATOM 0 HA THR A 4 10.904 -0.142 3.213 1.00 11.25 H new ATOM 0 HB THR A 4 9.625 0.756 5.825 1.00 22.41 H new ATOM 0 HG1 THR A 4 9.061 2.660 4.581 1.00 60.53 H new ATOM 0 HG21 THR A 4 11.201 2.646 5.646 1.00 61.00 H new ATOM 0 HG22 THR A 4 12.052 1.085 5.728 1.00 61.00 H new ATOM 0 HG23 THR A 4 11.887 1.928 4.169 1.00 61.00 H new ATOM 68 N GLY A 5 12.439 -1.360 4.771 1.00 14.04 N ATOM 69 CA GLY A 5 13.294 -2.219 5.569 1.00 31.12 C ATOM 70 C GLY A 5 14.764 -1.892 5.399 1.00 23.51 C ATOM 71 O GLY A 5 15.117 -0.839 4.868 1.00 60.44 O ATOM 0 H GLY A 5 12.918 -0.849 4.030 1.00 14.04 H new ATOM 0 HA2 GLY A 5 13.022 -2.122 6.620 1.00 31.12 H new ATOM 0 HA3 GLY A 5 13.121 -3.259 5.290 1.00 31.12 H new ATOM 75 N LYS A 6 15.626 -2.797 5.853 1.00 51.52 N ATOM 76 CA LYS A 6 17.067 -2.600 5.749 1.00 30.42 C ATOM 77 C LYS A 6 17.768 -3.904 5.382 1.00 65.03 C ATOM 78 O LYS A 6 17.287 -4.991 5.701 1.00 71.51 O ATOM 79 CB LYS A 6 17.625 -2.063 7.069 1.00 44.33 C ATOM 80 CG LYS A 6 16.736 -1.022 7.726 1.00 2.43 C ATOM 81 CD LYS A 6 15.741 -1.661 8.680 1.00 55.43 C ATOM 82 CE LYS A 6 14.421 -0.904 8.698 1.00 44.41 C ATOM 83 NZ LYS A 6 14.342 0.044 9.844 1.00 53.45 N ATOM 0 H LYS A 6 15.351 -3.674 6.296 1.00 51.52 H new ATOM 0 HA LYS A 6 17.254 -1.872 4.959 1.00 30.42 H new ATOM 0 HB2 LYS A 6 17.767 -2.895 7.759 1.00 44.33 H new ATOM 0 HB3 LYS A 6 18.608 -1.627 6.888 1.00 44.33 H new ATOM 0 HG2 LYS A 6 17.353 -0.305 8.268 1.00 2.43 H new ATOM 0 HG3 LYS A 6 16.199 -0.464 6.959 1.00 2.43 H new ATOM 0 HD2 LYS A 6 15.565 -2.695 8.384 1.00 55.43 H new ATOM 0 HD3 LYS A 6 16.162 -1.684 9.685 1.00 55.43 H new ATOM 0 HE2 LYS A 6 14.304 -0.355 7.764 1.00 44.41 H new ATOM 0 HE3 LYS A 6 13.596 -1.614 8.756 1.00 44.41 H new ATOM 0 HZ1 LYS A 6 13.428 0.540 9.822 1.00 53.45 H new ATOM 0 HZ2 LYS A 6 14.428 -0.483 10.737 1.00 53.45 H new ATOM 0 HZ3 LYS A 6 15.114 0.737 9.775 1.00 53.45 H new ATOM 97 N CYS A 7 18.909 -3.788 4.710 1.00 3.14 N ATOM 98 CA CYS A 7 19.678 -4.957 4.300 1.00 2.42 C ATOM 99 C CYS A 7 20.941 -5.100 5.144 1.00 22.45 C ATOM 100 O CYS A 7 21.101 -4.428 6.164 1.00 52.02 O ATOM 101 CB CYS A 7 20.050 -4.855 2.820 1.00 41.53 C ATOM 102 SG CYS A 7 19.011 -3.699 1.870 1.00 53.41 S ATOM 0 H CYS A 7 19.321 -2.896 4.438 1.00 3.14 H new ATOM 0 HA CYS A 7 19.058 -5.841 4.452 1.00 2.42 H new ATOM 0 HB2 CYS A 7 21.091 -4.542 2.739 1.00 41.53 H new ATOM 0 HB3 CYS A 7 19.979 -5.845 2.369 1.00 41.53 H new ATOM 107 N THR A 8 21.838 -5.982 4.713 1.00 73.21 N ATOM 108 CA THR A 8 23.086 -6.216 5.428 1.00 11.42 C ATOM 109 C THR A 8 24.261 -6.320 4.463 1.00 4.13 C ATOM 110 O THR A 8 24.250 -7.134 3.540 1.00 71.12 O ATOM 111 CB THR A 8 23.016 -7.500 6.275 1.00 22.32 C ATOM 112 OG1 THR A 8 21.650 -7.869 6.494 1.00 60.40 O ATOM 113 CG2 THR A 8 23.715 -7.305 7.613 1.00 75.34 C ATOM 0 H THR A 8 21.723 -6.546 3.871 1.00 73.21 H new ATOM 0 HA THR A 8 23.237 -5.362 6.089 1.00 11.42 H new ATOM 0 HB THR A 8 23.524 -8.296 5.730 1.00 22.32 H new ATOM 0 HG1 THR A 8 21.614 -8.687 7.032 1.00 60.40 H new ATOM 0 HG21 THR A 8 23.652 -8.225 8.194 1.00 75.34 H new ATOM 0 HG22 THR A 8 24.762 -7.053 7.443 1.00 75.34 H new ATOM 0 HG23 THR A 8 23.232 -6.496 8.161 1.00 75.34 H new ATOM 121 N LYS A 9 25.276 -5.491 4.683 1.00 43.02 N ATOM 122 CA LYS A 9 26.462 -5.491 3.834 1.00 52.50 C ATOM 123 C LYS A 9 27.133 -6.860 3.836 1.00 73.54 C ATOM 124 O LYS A 9 27.919 -7.178 2.943 1.00 30.14 O ATOM 125 CB LYS A 9 27.453 -4.425 4.308 1.00 50.05 C ATOM 126 CG LYS A 9 27.714 -4.459 5.803 1.00 24.44 C ATOM 127 CD LYS A 9 29.198 -4.351 6.113 1.00 41.43 C ATOM 128 CE LYS A 9 29.726 -2.953 5.826 1.00 21.23 C ATOM 129 NZ LYS A 9 30.827 -2.575 6.755 1.00 64.32 N ATOM 0 H LYS A 9 25.301 -4.810 5.442 1.00 43.02 H new ATOM 0 HA LYS A 9 26.149 -5.261 2.816 1.00 52.50 H new ATOM 0 HB2 LYS A 9 28.397 -4.558 3.780 1.00 50.05 H new ATOM 0 HB3 LYS A 9 27.072 -3.440 4.037 1.00 50.05 H new ATOM 0 HG2 LYS A 9 27.180 -3.640 6.285 1.00 24.44 H new ATOM 0 HG3 LYS A 9 27.321 -5.386 6.221 1.00 24.44 H new ATOM 0 HD2 LYS A 9 29.371 -4.599 7.160 1.00 41.43 H new ATOM 0 HD3 LYS A 9 29.749 -5.079 5.518 1.00 41.43 H new ATOM 0 HE2 LYS A 9 30.085 -2.904 4.798 1.00 21.23 H new ATOM 0 HE3 LYS A 9 28.913 -2.232 5.914 1.00 21.23 H new ATOM 0 HZ1 LYS A 9 31.160 -1.616 6.527 1.00 64.32 H new ATOM 0 HZ2 LYS A 9 30.478 -2.597 7.734 1.00 64.32 H new ATOM 0 HZ3 LYS A 9 31.614 -3.248 6.653 1.00 64.32 H new ATOM 143 N SER A 10 26.816 -7.668 4.842 1.00 33.44 N ATOM 144 CA SER A 10 27.390 -9.004 4.961 1.00 52.41 C ATOM 145 C SER A 10 27.278 -9.762 3.642 1.00 45.24 C ATOM 146 O SER A 10 28.264 -9.931 2.924 1.00 63.22 O ATOM 147 CB SER A 10 26.689 -9.786 6.073 1.00 73.42 C ATOM 148 OG SER A 10 27.252 -9.490 7.339 1.00 43.24 O ATOM 0 H SER A 10 26.165 -7.421 5.587 1.00 33.44 H new ATOM 0 HA SER A 10 28.446 -8.899 5.211 1.00 52.41 H new ATOM 0 HB2 SER A 10 25.627 -9.543 6.078 1.00 73.42 H new ATOM 0 HB3 SER A 10 26.770 -10.855 5.877 1.00 73.42 H new ATOM 0 HG SER A 10 26.785 -10.001 8.032 1.00 43.24 H new ATOM 154 N LYS A 11 26.070 -10.217 3.328 1.00 0.32 N ATOM 155 CA LYS A 11 25.826 -10.956 2.095 1.00 24.24 C ATOM 156 C LYS A 11 24.729 -10.291 1.270 1.00 23.50 C ATOM 157 O LYS A 11 24.261 -10.850 0.279 1.00 12.01 O ATOM 158 CB LYS A 11 25.436 -12.402 2.412 1.00 1.42 C ATOM 159 CG LYS A 11 26.620 -13.292 2.748 1.00 41.22 C ATOM 160 CD LYS A 11 26.207 -14.750 2.861 1.00 44.32 C ATOM 161 CE LYS A 11 27.385 -15.634 3.242 1.00 74.45 C ATOM 162 NZ LYS A 11 27.314 -16.966 2.579 1.00 25.43 N ATOM 0 H LYS A 11 25.243 -10.087 3.911 1.00 0.32 H new ATOM 0 HA LYS A 11 26.746 -10.954 1.511 1.00 24.24 H new ATOM 0 HB2 LYS A 11 24.740 -12.406 3.251 1.00 1.42 H new ATOM 0 HB3 LYS A 11 24.907 -12.823 1.557 1.00 1.42 H new ATOM 0 HG2 LYS A 11 27.385 -13.188 1.978 1.00 41.22 H new ATOM 0 HG3 LYS A 11 27.067 -12.966 3.687 1.00 41.22 H new ATOM 0 HD2 LYS A 11 25.419 -14.850 3.608 1.00 44.32 H new ATOM 0 HD3 LYS A 11 25.790 -15.086 1.912 1.00 44.32 H new ATOM 0 HE2 LYS A 11 28.316 -15.139 2.965 1.00 74.45 H new ATOM 0 HE3 LYS A 11 27.405 -15.767 4.324 1.00 74.45 H new ATOM 0 HZ1 LYS A 11 28.134 -17.539 2.863 1.00 25.43 H new ATOM 0 HZ2 LYS A 11 26.438 -17.449 2.863 1.00 25.43 H new ATOM 0 HZ3 LYS A 11 27.321 -16.841 1.547 1.00 25.43 H new ATOM 176 N ASN A 12 24.325 -9.095 1.685 1.00 23.20 N ATOM 177 CA ASN A 12 23.284 -8.354 0.983 1.00 72.11 C ATOM 178 C ASN A 12 21.946 -9.083 1.067 1.00 24.42 C ATOM 179 O ASN A 12 21.810 -10.206 0.583 1.00 35.43 O ATOM 180 CB ASN A 12 23.674 -8.149 -0.482 1.00 62.23 C ATOM 181 CG ASN A 12 22.526 -8.433 -1.432 1.00 22.44 C ATOM 182 OD1 ASN A 12 22.420 -9.528 -1.984 1.00 73.34 O ATOM 183 ND2 ASN A 12 21.660 -7.445 -1.625 1.00 63.42 N ATOM 0 H ASN A 12 24.703 -8.618 2.504 1.00 23.20 H new ATOM 0 HA ASN A 12 23.179 -7.381 1.464 1.00 72.11 H new ATOM 0 HB2 ASN A 12 24.014 -7.123 -0.624 1.00 62.23 H new ATOM 0 HB3 ASN A 12 24.513 -8.800 -0.726 1.00 62.23 H new ATOM 0 HD21 ASN A 12 20.867 -7.577 -2.252 1.00 63.42 H new ATOM 0 HD22 ASN A 12 21.788 -6.554 -1.146 1.00 63.42 H new ATOM 190 N GLU A 13 20.963 -8.436 1.685 1.00 42.33 N ATOM 191 CA GLU A 13 19.637 -9.023 1.832 1.00 31.33 C ATOM 192 C GLU A 13 18.692 -8.062 2.548 1.00 44.31 C ATOM 193 O GLU A 13 18.673 -7.992 3.777 1.00 31.22 O ATOM 194 CB GLU A 13 19.722 -10.341 2.605 1.00 73.43 C ATOM 195 CG GLU A 13 18.948 -11.477 1.957 1.00 62.43 C ATOM 196 CD GLU A 13 18.953 -12.740 2.796 1.00 22.14 C ATOM 197 OE1 GLU A 13 19.822 -12.857 3.686 1.00 11.41 O ATOM 198 OE2 GLU A 13 18.089 -13.611 2.564 1.00 65.30 O ATOM 0 H GLU A 13 21.060 -7.506 2.092 1.00 42.33 H new ATOM 0 HA GLU A 13 19.242 -9.218 0.835 1.00 31.33 H new ATOM 0 HB2 GLU A 13 20.768 -10.632 2.697 1.00 73.43 H new ATOM 0 HB3 GLU A 13 19.344 -10.185 3.615 1.00 73.43 H new ATOM 0 HG2 GLU A 13 17.918 -11.161 1.789 1.00 62.43 H new ATOM 0 HG3 GLU A 13 19.378 -11.693 0.979 1.00 62.43 H new ATOM 205 N CYS A 14 17.911 -7.321 1.770 1.00 54.14 N ATOM 206 CA CYS A 14 16.964 -6.362 2.327 1.00 61.15 C ATOM 207 C CYS A 14 15.692 -7.063 2.794 1.00 55.22 C ATOM 208 O CYS A 14 14.898 -7.540 1.982 1.00 1.03 O ATOM 209 CB CYS A 14 16.619 -5.293 1.288 1.00 13.22 C ATOM 210 SG CYS A 14 17.550 -3.739 1.483 1.00 63.45 S ATOM 0 H CYS A 14 17.915 -7.366 0.751 1.00 54.14 H new ATOM 0 HA CYS A 14 17.432 -5.885 3.188 1.00 61.15 H new ATOM 0 HB2 CYS A 14 16.808 -5.695 0.292 1.00 13.22 H new ATOM 0 HB3 CYS A 14 15.553 -5.075 1.347 1.00 13.22 H new ATOM 215 N LYS A 15 15.503 -7.121 4.108 1.00 42.42 N ATOM 216 CA LYS A 15 14.327 -7.761 4.685 1.00 3.23 C ATOM 217 C LYS A 15 13.138 -6.805 4.697 1.00 23.42 C ATOM 218 O LYS A 15 13.303 -5.597 4.865 1.00 15.25 O ATOM 219 CB LYS A 15 14.627 -8.236 6.109 1.00 64.34 C ATOM 220 CG LYS A 15 13.521 -9.084 6.713 1.00 50.42 C ATOM 221 CD LYS A 15 12.467 -8.224 7.390 1.00 11.11 C ATOM 222 CE LYS A 15 12.545 -8.336 8.905 1.00 62.30 C ATOM 223 NZ LYS A 15 11.637 -9.393 9.430 1.00 25.34 N ATOM 0 H LYS A 15 16.150 -6.732 4.794 1.00 42.42 H new ATOM 0 HA LYS A 15 14.072 -8.622 4.067 1.00 3.23 H new ATOM 0 HB2 LYS A 15 15.553 -8.811 6.104 1.00 64.34 H new ATOM 0 HB3 LYS A 15 14.796 -7.367 6.745 1.00 64.34 H new ATOM 0 HG2 LYS A 15 13.055 -9.686 5.933 1.00 50.42 H new ATOM 0 HG3 LYS A 15 13.947 -9.777 7.438 1.00 50.42 H new ATOM 0 HD2 LYS A 15 12.600 -7.183 7.094 1.00 11.11 H new ATOM 0 HD3 LYS A 15 11.476 -8.528 7.052 1.00 11.11 H new ATOM 0 HE2 LYS A 15 13.570 -8.558 9.200 1.00 62.30 H new ATOM 0 HE3 LYS A 15 12.285 -7.378 9.354 1.00 62.30 H new ATOM 0 HZ1 LYS A 15 11.428 -9.205 10.431 1.00 25.34 H new ATOM 0 HZ2 LYS A 15 10.751 -9.391 8.885 1.00 25.34 H new ATOM 0 HZ3 LYS A 15 12.097 -10.322 9.340 1.00 25.34 H new ATOM 237 N TYR A 16 11.942 -7.355 4.519 1.00 2.20 N ATOM 238 CA TYR A 16 10.726 -6.551 4.508 1.00 12.14 C ATOM 239 C TYR A 16 9.520 -7.381 4.938 1.00 22.23 C ATOM 240 O TYR A 16 9.664 -8.513 5.401 1.00 75.10 O ATOM 241 CB TYR A 16 10.487 -5.968 3.115 1.00 72.15 C ATOM 242 CG TYR A 16 9.998 -6.985 2.108 1.00 31.45 C ATOM 243 CD1 TYR A 16 10.863 -7.932 1.572 1.00 15.30 C ATOM 244 CD2 TYR A 16 8.672 -7.000 1.694 1.00 40.04 C ATOM 245 CE1 TYR A 16 10.421 -8.863 0.652 1.00 13.20 C ATOM 246 CE2 TYR A 16 8.221 -7.928 0.775 1.00 21.23 C ATOM 247 CZ TYR A 16 9.099 -8.857 0.257 1.00 21.33 C ATOM 248 OH TYR A 16 8.654 -9.783 -0.659 1.00 1.32 O ATOM 0 H TYR A 16 11.789 -8.354 4.380 1.00 2.20 H new ATOM 0 HA TYR A 16 10.855 -5.735 5.219 1.00 12.14 H new ATOM 0 HB2 TYR A 16 9.757 -5.162 3.188 1.00 72.15 H new ATOM 0 HB3 TYR A 16 11.415 -5.526 2.751 1.00 72.15 H new ATOM 0 HD1 TYR A 16 11.898 -7.940 1.880 1.00 15.30 H new ATOM 0 HD2 TYR A 16 7.982 -6.274 2.097 1.00 40.04 H new ATOM 0 HE1 TYR A 16 11.106 -9.591 0.244 1.00 13.20 H new ATOM 0 HE2 TYR A 16 7.187 -7.926 0.464 1.00 21.23 H new ATOM 0 HH TYR A 16 7.699 -9.643 -0.828 1.00 1.32 H new ATOM 258 N LYS A 17 8.331 -6.810 4.781 1.00 32.34 N ATOM 259 CA LYS A 17 7.098 -7.496 5.150 1.00 11.34 C ATOM 260 C LYS A 17 6.201 -7.696 3.933 1.00 64.23 C ATOM 261 O LYS A 17 6.002 -6.778 3.139 1.00 4.41 O ATOM 262 CB LYS A 17 6.349 -6.701 6.223 1.00 44.34 C ATOM 263 CG LYS A 17 6.176 -5.231 5.880 1.00 72.20 C ATOM 264 CD LYS A 17 6.935 -4.339 6.848 1.00 35.33 C ATOM 265 CE LYS A 17 7.082 -2.926 6.306 1.00 62.13 C ATOM 266 NZ LYS A 17 7.890 -2.065 7.213 1.00 13.04 N ATOM 0 H LYS A 17 8.195 -5.873 4.401 1.00 32.34 H new ATOM 0 HA LYS A 17 7.363 -8.475 5.549 1.00 11.34 H new ATOM 0 HB2 LYS A 17 5.367 -7.148 6.375 1.00 44.34 H new ATOM 0 HB3 LYS A 17 6.887 -6.784 7.167 1.00 44.34 H new ATOM 0 HG2 LYS A 17 6.528 -5.050 4.864 1.00 72.20 H new ATOM 0 HG3 LYS A 17 5.117 -4.974 5.901 1.00 72.20 H new ATOM 0 HD2 LYS A 17 6.412 -4.310 7.804 1.00 35.33 H new ATOM 0 HD3 LYS A 17 7.922 -4.762 7.037 1.00 35.33 H new ATOM 0 HE2 LYS A 17 7.553 -2.961 5.324 1.00 62.13 H new ATOM 0 HE3 LYS A 17 6.095 -2.485 6.170 1.00 62.13 H new ATOM 0 HZ1 LYS A 17 7.440 -1.131 7.297 1.00 13.04 H new ATOM 0 HZ2 LYS A 17 7.947 -2.508 8.152 1.00 13.04 H new ATOM 0 HZ3 LYS A 17 8.848 -1.954 6.824 1.00 13.04 H new ATOM 280 N ASN A 18 5.662 -8.903 3.793 1.00 50.22 N ATOM 281 CA ASN A 18 4.786 -9.223 2.672 1.00 55.00 C ATOM 282 C ASN A 18 3.566 -10.010 3.143 1.00 50.35 C ATOM 283 O ASN A 18 3.557 -10.562 4.243 1.00 43.12 O ATOM 284 CB ASN A 18 5.547 -10.025 1.615 1.00 62.20 C ATOM 285 CG ASN A 18 5.436 -11.522 1.834 1.00 51.33 C ATOM 286 OD1 ASN A 18 5.058 -12.266 0.929 1.00 64.12 O ATOM 287 ND2 ASN A 18 5.765 -11.969 3.040 1.00 71.21 N ATOM 0 H ASN A 18 5.816 -9.675 4.442 1.00 50.22 H new ATOM 0 HA ASN A 18 4.445 -8.286 2.231 1.00 55.00 H new ATOM 0 HB2 ASN A 18 5.161 -9.776 0.626 1.00 62.20 H new ATOM 0 HB3 ASN A 18 6.598 -9.735 1.630 1.00 62.20 H new ATOM 0 HD21 ASN A 18 5.710 -12.966 3.247 1.00 71.21 H new ATOM 0 HD22 ASN A 18 6.073 -11.315 3.760 1.00 71.21 H new ATOM 294 N ASP A 19 2.539 -10.057 2.302 1.00 53.54 N ATOM 295 CA ASP A 19 1.314 -10.777 2.630 1.00 50.10 C ATOM 296 C ASP A 19 0.520 -10.038 3.703 1.00 22.41 C ATOM 297 O ASP A 19 -0.555 -9.502 3.435 1.00 24.44 O ATOM 298 CB ASP A 19 1.642 -12.193 3.105 1.00 71.43 C ATOM 299 CG ASP A 19 0.472 -13.144 2.942 1.00 10.24 C ATOM 300 OD1 ASP A 19 0.429 -14.162 3.665 1.00 3.30 O ATOM 301 OD2 ASP A 19 -0.401 -12.869 2.093 1.00 34.43 O ATOM 0 H ASP A 19 2.530 -9.605 1.388 1.00 53.54 H new ATOM 0 HA ASP A 19 0.704 -10.836 1.729 1.00 50.10 H new ATOM 0 HB2 ASP A 19 2.496 -12.573 2.544 1.00 71.43 H new ATOM 0 HB3 ASP A 19 1.938 -12.162 4.154 1.00 71.43 H new ATOM 306 N ALA A 20 1.057 -10.016 4.919 1.00 42.24 N ATOM 307 CA ALA A 20 0.400 -9.343 6.032 1.00 53.42 C ATOM 308 C ALA A 20 1.362 -9.142 7.198 1.00 71.13 C ATOM 309 O ALA A 20 0.946 -9.073 8.353 1.00 2.35 O ATOM 310 CB ALA A 20 -0.820 -10.134 6.481 1.00 5.03 C ATOM 0 H ALA A 20 1.945 -10.457 5.158 1.00 42.24 H new ATOM 0 HA ALA A 20 0.076 -8.360 5.690 1.00 53.42 H new ATOM 0 HB1 ALA A 20 -1.301 -9.620 7.313 1.00 5.03 H new ATOM 0 HB2 ALA A 20 -1.523 -10.220 5.652 1.00 5.03 H new ATOM 0 HB3 ALA A 20 -0.511 -11.130 6.800 1.00 5.03 H new ATOM 316 N GLY A 21 2.651 -9.050 6.886 1.00 23.41 N ATOM 317 CA GLY A 21 3.652 -8.860 7.919 1.00 4.33 C ATOM 318 C GLY A 21 4.673 -9.980 7.952 1.00 71.03 C ATOM 319 O GLY A 21 5.519 -10.035 8.845 1.00 54.52 O ATOM 0 H GLY A 21 3.020 -9.104 5.936 1.00 23.41 H new ATOM 0 HA2 GLY A 21 4.163 -7.912 7.755 1.00 4.33 H new ATOM 0 HA3 GLY A 21 3.160 -8.793 8.889 1.00 4.33 H new ATOM 323 N LYS A 22 4.594 -10.878 6.976 1.00 60.42 N ATOM 324 CA LYS A 22 5.517 -12.004 6.895 1.00 22.00 C ATOM 325 C LYS A 22 6.926 -11.529 6.553 1.00 73.13 C ATOM 326 O LYS A 22 7.118 -10.748 5.621 1.00 1.41 O ATOM 327 CB LYS A 22 5.037 -13.009 5.846 1.00 64.43 C ATOM 328 CG LYS A 22 4.376 -14.240 6.441 1.00 71.54 C ATOM 329 CD LYS A 22 3.767 -15.122 5.363 1.00 23.10 C ATOM 330 CE LYS A 22 2.565 -15.893 5.887 1.00 63.03 C ATOM 331 NZ LYS A 22 2.936 -17.267 6.326 1.00 11.20 N ATOM 0 H LYS A 22 3.900 -10.848 6.229 1.00 60.42 H new ATOM 0 HA LYS A 22 5.543 -12.491 7.870 1.00 22.00 H new ATOM 0 HB2 LYS A 22 4.331 -12.515 5.178 1.00 64.43 H new ATOM 0 HB3 LYS A 22 5.886 -13.321 5.238 1.00 64.43 H new ATOM 0 HG2 LYS A 22 5.112 -14.811 7.007 1.00 71.54 H new ATOM 0 HG3 LYS A 22 3.601 -13.934 7.143 1.00 71.54 H new ATOM 0 HD2 LYS A 22 3.465 -14.507 4.516 1.00 23.10 H new ATOM 0 HD3 LYS A 22 4.518 -15.822 4.997 1.00 23.10 H new ATOM 0 HE2 LYS A 22 2.123 -15.352 6.723 1.00 63.03 H new ATOM 0 HE3 LYS A 22 1.805 -15.953 5.108 1.00 63.03 H new ATOM 0 HZ1 LYS A 22 2.090 -17.760 6.676 1.00 11.20 H new ATOM 0 HZ2 LYS A 22 3.335 -17.792 5.522 1.00 11.20 H new ATOM 0 HZ3 LYS A 22 3.643 -17.209 7.087 1.00 11.20 H new ATOM 345 N ASP A 23 7.907 -12.007 7.310 1.00 14.14 N ATOM 346 CA ASP A 23 9.298 -11.633 7.085 1.00 1.14 C ATOM 347 C ASP A 23 9.831 -12.267 5.804 1.00 32.02 C ATOM 348 O ASP A 23 9.912 -13.491 5.691 1.00 5.40 O ATOM 349 CB ASP A 23 10.161 -12.056 8.275 1.00 10.43 C ATOM 350 CG ASP A 23 9.883 -13.480 8.715 1.00 3.40 C ATOM 351 OD1 ASP A 23 10.588 -14.395 8.241 1.00 23.43 O ATOM 352 OD2 ASP A 23 8.962 -13.678 9.534 1.00 74.35 O ATOM 0 H ASP A 23 7.765 -12.655 8.085 1.00 14.14 H new ATOM 0 HA ASP A 23 9.344 -10.549 6.979 1.00 1.14 H new ATOM 0 HB2 ASP A 23 11.214 -11.960 8.009 1.00 10.43 H new ATOM 0 HB3 ASP A 23 9.980 -11.379 9.110 1.00 10.43 H new ATOM 357 N THR A 24 10.192 -11.426 4.839 1.00 33.54 N ATOM 358 CA THR A 24 10.714 -11.904 3.566 1.00 62.15 C ATOM 359 C THR A 24 12.016 -11.198 3.206 1.00 41.44 C ATOM 360 O THR A 24 12.094 -9.969 3.227 1.00 71.12 O ATOM 361 CB THR A 24 9.698 -11.694 2.427 1.00 32.23 C ATOM 362 OG1 THR A 24 8.468 -12.356 2.741 1.00 75.42 O ATOM 363 CG2 THR A 24 10.244 -12.224 1.110 1.00 74.31 C ATOM 0 H THR A 24 10.132 -10.411 4.916 1.00 33.54 H new ATOM 0 HA THR A 24 10.902 -12.971 3.683 1.00 62.15 H new ATOM 0 HB THR A 24 9.518 -10.624 2.322 1.00 32.23 H new ATOM 0 HG1 THR A 24 8.028 -12.639 1.912 1.00 75.42 H new ATOM 0 HG21 THR A 24 9.509 -12.065 0.321 1.00 74.31 H new ATOM 0 HG22 THR A 24 11.165 -11.698 0.860 1.00 74.31 H new ATOM 0 HG23 THR A 24 10.450 -13.290 1.204 1.00 74.31 H new ATOM 371 N PHE A 25 13.037 -11.981 2.875 1.00 62.14 N ATOM 372 CA PHE A 25 14.337 -11.430 2.510 1.00 40.11 C ATOM 373 C PHE A 25 14.556 -11.505 1.002 1.00 70.13 C ATOM 374 O PHE A 25 14.225 -12.506 0.365 1.00 0.11 O ATOM 375 CB PHE A 25 15.455 -12.180 3.237 1.00 50.10 C ATOM 376 CG PHE A 25 15.323 -12.150 4.733 1.00 74.12 C ATOM 377 CD1 PHE A 25 16.095 -11.287 5.493 1.00 40.21 C ATOM 378 CD2 PHE A 25 14.426 -12.986 5.379 1.00 50.11 C ATOM 379 CE1 PHE A 25 15.975 -11.257 6.870 1.00 44.44 C ATOM 380 CE2 PHE A 25 14.302 -12.960 6.755 1.00 13.21 C ATOM 381 CZ PHE A 25 15.078 -12.095 7.501 1.00 22.05 C ATOM 0 H PHE A 25 12.989 -13.000 2.852 1.00 62.14 H new ATOM 0 HA PHE A 25 14.357 -10.382 2.810 1.00 40.11 H new ATOM 0 HB2 PHE A 25 15.463 -13.217 2.902 1.00 50.10 H new ATOM 0 HB3 PHE A 25 16.415 -11.746 2.956 1.00 50.10 H new ATOM 0 HD1 PHE A 25 16.799 -10.630 5.004 1.00 40.21 H new ATOM 0 HD2 PHE A 25 13.817 -13.665 4.801 1.00 50.11 H new ATOM 0 HE1 PHE A 25 16.582 -10.579 7.451 1.00 44.44 H new ATOM 0 HE2 PHE A 25 13.599 -13.616 7.247 1.00 13.21 H new ATOM 0 HZ PHE A 25 14.983 -12.074 8.577 1.00 22.05 H new ATOM 391 N ILE A 26 15.115 -10.440 0.437 1.00 31.02 N ATOM 392 CA ILE A 26 15.378 -10.385 -0.995 1.00 65.23 C ATOM 393 C ILE A 26 16.486 -9.386 -1.313 1.00 15.33 C ATOM 394 O ILE A 26 16.499 -8.270 -0.791 1.00 71.53 O ATOM 395 CB ILE A 26 14.114 -10.002 -1.786 1.00 52.22 C ATOM 396 CG1 ILE A 26 14.411 -9.982 -3.287 1.00 72.31 C ATOM 397 CG2 ILE A 26 13.592 -8.649 -1.326 1.00 55.14 C ATOM 398 CD1 ILE A 26 14.896 -11.311 -3.824 1.00 53.54 C ATOM 0 H ILE A 26 15.394 -9.604 0.950 1.00 31.02 H new ATOM 0 HA ILE A 26 15.695 -11.384 -1.295 1.00 65.23 H new ATOM 0 HB ILE A 26 13.344 -10.750 -1.597 1.00 52.22 H new ATOM 0 HG12 ILE A 26 13.509 -9.690 -3.824 1.00 72.31 H new ATOM 0 HG13 ILE A 26 15.164 -9.220 -3.490 1.00 72.31 H new ATOM 0 HG21 ILE A 26 12.698 -8.392 -1.894 1.00 55.14 H new ATOM 0 HG22 ILE A 26 13.347 -8.695 -0.265 1.00 55.14 H new ATOM 0 HG23 ILE A 26 14.357 -7.889 -1.489 1.00 55.14 H new ATOM 0 HD11 ILE A 26 15.087 -11.223 -4.894 1.00 53.54 H new ATOM 0 HD12 ILE A 26 15.816 -11.596 -3.313 1.00 53.54 H new ATOM 0 HD13 ILE A 26 14.135 -12.072 -3.652 1.00 53.54 H new ATOM 410 N LYS A 27 17.413 -9.792 -2.173 1.00 50.01 N ATOM 411 CA LYS A 27 18.524 -8.932 -2.564 1.00 73.11 C ATOM 412 C LYS A 27 18.113 -7.993 -3.694 1.00 64.53 C ATOM 413 O LYS A 27 17.259 -8.329 -4.515 1.00 35.35 O ATOM 414 CB LYS A 27 19.722 -9.778 -3.000 1.00 20.55 C ATOM 415 CG LYS A 27 19.389 -10.796 -4.077 1.00 52.20 C ATOM 416 CD LYS A 27 20.623 -11.193 -4.870 1.00 32.24 C ATOM 417 CE LYS A 27 20.308 -12.283 -5.882 1.00 74.34 C ATOM 418 NZ LYS A 27 21.538 -12.797 -6.545 1.00 22.51 N ATOM 0 H LYS A 27 17.417 -10.712 -2.613 1.00 50.01 H new ATOM 0 HA LYS A 27 18.807 -8.331 -1.700 1.00 73.11 H new ATOM 0 HB2 LYS A 27 20.508 -9.118 -3.367 1.00 20.55 H new ATOM 0 HB3 LYS A 27 20.123 -10.299 -2.131 1.00 20.55 H new ATOM 0 HG2 LYS A 27 18.950 -11.682 -3.618 1.00 52.20 H new ATOM 0 HG3 LYS A 27 18.640 -10.382 -4.751 1.00 52.20 H new ATOM 0 HD2 LYS A 27 21.021 -10.320 -5.386 1.00 32.24 H new ATOM 0 HD3 LYS A 27 21.399 -11.541 -4.188 1.00 32.24 H new ATOM 0 HE2 LYS A 27 19.794 -13.105 -5.383 1.00 74.34 H new ATOM 0 HE3 LYS A 27 19.625 -11.892 -6.636 1.00 74.34 H new ATOM 0 HZ1 LYS A 27 21.281 -13.538 -7.227 1.00 22.51 H new ATOM 0 HZ2 LYS A 27 22.015 -12.019 -7.043 1.00 22.51 H new ATOM 0 HZ3 LYS A 27 22.179 -13.194 -5.828 1.00 22.51 H new ATOM 432 N CYS A 28 18.729 -6.816 -3.733 1.00 32.44 N ATOM 433 CA CYS A 28 18.429 -5.829 -4.763 1.00 32.25 C ATOM 434 C CYS A 28 18.471 -6.461 -6.151 1.00 20.42 C ATOM 435 O CYS A 28 19.533 -6.793 -6.677 1.00 24.40 O ATOM 436 CB CYS A 28 19.421 -4.667 -4.689 1.00 61.00 C ATOM 437 SG CYS A 28 18.708 -3.051 -5.136 1.00 64.34 S ATOM 0 H CYS A 28 19.439 -6.523 -3.063 1.00 32.44 H new ATOM 0 HA CYS A 28 17.422 -5.450 -4.586 1.00 32.25 H new ATOM 0 HB2 CYS A 28 19.821 -4.608 -3.677 1.00 61.00 H new ATOM 0 HB3 CYS A 28 20.261 -4.877 -5.351 1.00 61.00 H new ATOM 442 N PRO A 29 17.288 -6.632 -6.759 1.00 71.22 N ATOM 443 CA PRO A 29 17.163 -7.225 -8.094 1.00 54.42 C ATOM 444 C PRO A 29 17.703 -6.310 -9.188 1.00 5.44 C ATOM 445 O PRO A 29 18.238 -6.776 -10.194 1.00 11.20 O ATOM 446 CB PRO A 29 15.653 -7.417 -8.257 1.00 33.25 C ATOM 447 CG PRO A 29 15.042 -6.399 -7.357 1.00 1.31 C ATOM 448 CD PRO A 29 15.982 -6.260 -6.191 1.00 15.30 C ATOM 0 HA PRO A 29 17.737 -8.147 -8.185 1.00 54.42 H new ATOM 0 HB2 PRO A 29 15.344 -7.267 -9.292 1.00 33.25 H new ATOM 0 HB3 PRO A 29 15.350 -8.426 -7.977 1.00 33.25 H new ATOM 0 HG2 PRO A 29 14.917 -5.447 -7.873 1.00 1.31 H new ATOM 0 HG3 PRO A 29 14.053 -6.715 -7.025 1.00 1.31 H new ATOM 0 HD2 PRO A 29 15.989 -5.243 -5.800 1.00 15.30 H new ATOM 0 HD3 PRO A 29 15.700 -6.916 -5.367 1.00 15.30 H new ATOM 456 N LYS A 30 17.562 -5.004 -8.984 1.00 31.21 N ATOM 457 CA LYS A 30 18.038 -4.022 -9.951 1.00 73.41 C ATOM 458 C LYS A 30 19.524 -4.216 -10.237 1.00 15.33 C ATOM 459 O LYS A 30 19.914 -4.532 -11.361 1.00 33.33 O ATOM 460 CB LYS A 30 17.787 -2.604 -9.434 1.00 42.11 C ATOM 461 CG LYS A 30 16.956 -1.751 -10.377 1.00 33.05 C ATOM 462 CD LYS A 30 17.701 -1.459 -11.668 1.00 74.24 C ATOM 463 CE LYS A 30 17.861 0.036 -11.894 1.00 0.55 C ATOM 464 NZ LYS A 30 18.855 0.333 -12.962 1.00 0.10 N ATOM 0 H LYS A 30 17.122 -4.601 -8.157 1.00 31.21 H new ATOM 0 HA LYS A 30 17.486 -4.166 -10.880 1.00 73.41 H new ATOM 0 HB2 LYS A 30 17.282 -2.662 -8.470 1.00 42.11 H new ATOM 0 HB3 LYS A 30 18.745 -2.114 -9.263 1.00 42.11 H new ATOM 0 HG2 LYS A 30 16.021 -2.263 -10.603 1.00 33.05 H new ATOM 0 HG3 LYS A 30 16.695 -0.813 -9.886 1.00 33.05 H new ATOM 0 HD2 LYS A 30 18.683 -1.930 -11.637 1.00 74.24 H new ATOM 0 HD3 LYS A 30 17.163 -1.899 -12.507 1.00 74.24 H new ATOM 0 HE2 LYS A 30 16.897 0.467 -12.165 1.00 0.55 H new ATOM 0 HE3 LYS A 30 18.173 0.512 -10.965 1.00 0.55 H new ATOM 0 HZ1 LYS A 30 18.935 1.363 -13.085 1.00 0.10 H new ATOM 0 HZ2 LYS A 30 19.781 -0.056 -12.692 1.00 0.10 H new ATOM 0 HZ3 LYS A 30 18.544 -0.100 -13.855 1.00 0.10 H new ATOM 478 N PHE A 31 20.348 -4.025 -9.212 1.00 41.22 N ATOM 479 CA PHE A 31 21.791 -4.179 -9.353 1.00 43.24 C ATOM 480 C PHE A 31 22.268 -5.467 -8.689 1.00 4.24 C ATOM 481 O PHE A 31 21.759 -5.862 -7.640 1.00 30.31 O ATOM 482 CB PHE A 31 22.516 -2.978 -8.743 1.00 11.45 C ATOM 483 CG PHE A 31 21.673 -1.736 -8.682 1.00 35.23 C ATOM 484 CD1 PHE A 31 21.717 -0.802 -9.704 1.00 1.33 C ATOM 485 CD2 PHE A 31 20.836 -1.504 -7.602 1.00 54.42 C ATOM 486 CE1 PHE A 31 20.942 0.342 -9.651 1.00 70.41 C ATOM 487 CE2 PHE A 31 20.058 -0.363 -7.544 1.00 40.53 C ATOM 488 CZ PHE A 31 20.112 0.562 -8.569 1.00 61.23 C ATOM 0 H PHE A 31 20.041 -3.763 -8.275 1.00 41.22 H new ATOM 0 HA PHE A 31 22.023 -4.232 -10.417 1.00 43.24 H new ATOM 0 HB2 PHE A 31 22.844 -3.235 -7.736 1.00 11.45 H new ATOM 0 HB3 PHE A 31 23.413 -2.770 -9.327 1.00 11.45 H new ATOM 0 HD1 PHE A 31 22.364 -0.969 -10.552 1.00 1.33 H new ATOM 0 HD2 PHE A 31 20.791 -2.223 -6.797 1.00 54.42 H new ATOM 0 HE1 PHE A 31 20.986 1.062 -10.454 1.00 70.41 H new ATOM 0 HE2 PHE A 31 19.408 -0.195 -6.698 1.00 40.53 H new ATOM 0 HZ PHE A 31 19.507 1.455 -8.524 1.00 61.23 H new ATOM 498 N ASP A 32 23.249 -6.116 -9.307 1.00 34.33 N ATOM 499 CA ASP A 32 23.796 -7.359 -8.776 1.00 32.51 C ATOM 500 C ASP A 32 25.136 -7.114 -8.090 1.00 63.14 C ATOM 501 O ASP A 32 25.576 -7.910 -7.262 1.00 34.31 O ATOM 502 CB ASP A 32 23.962 -8.388 -9.896 1.00 2.41 C ATOM 503 CG ASP A 32 24.552 -7.782 -11.154 1.00 62.44 C ATOM 504 OD1 ASP A 32 24.279 -8.312 -12.252 1.00 53.43 O ATOM 505 OD2 ASP A 32 25.287 -6.779 -11.042 1.00 14.03 O ATOM 0 H ASP A 32 23.681 -5.802 -10.176 1.00 34.33 H new ATOM 0 HA ASP A 32 23.096 -7.748 -8.037 1.00 32.51 H new ATOM 0 HB2 ASP A 32 24.605 -9.197 -9.550 1.00 2.41 H new ATOM 0 HB3 ASP A 32 22.992 -8.828 -10.128 1.00 2.41 H new ATOM 510 N ASN A 33 25.782 -6.007 -8.443 1.00 73.00 N ATOM 511 CA ASN A 33 27.073 -5.658 -7.863 1.00 3.41 C ATOM 512 C ASN A 33 26.993 -4.330 -7.116 1.00 12.21 C ATOM 513 O ASN A 33 27.916 -3.954 -6.393 1.00 32.33 O ATOM 514 CB ASN A 33 28.141 -5.577 -8.955 1.00 65.14 C ATOM 515 CG ASN A 33 29.124 -6.730 -8.889 1.00 60.44 C ATOM 516 OD1 ASN A 33 29.301 -7.466 -9.861 1.00 31.15 O ATOM 517 ND2 ASN A 33 29.769 -6.893 -7.740 1.00 34.32 N ATOM 0 H ASN A 33 25.432 -5.337 -9.128 1.00 73.00 H new ATOM 0 HA ASN A 33 27.347 -6.438 -7.153 1.00 3.41 H new ATOM 0 HB2 ASN A 33 27.658 -5.570 -9.932 1.00 65.14 H new ATOM 0 HB3 ASN A 33 28.682 -4.636 -8.861 1.00 65.14 H new ATOM 0 HD21 ASN A 33 30.443 -7.652 -7.636 1.00 34.32 H new ATOM 0 HD22 ASN A 33 29.591 -6.259 -6.961 1.00 34.32 H new ATOM 524 N LYS A 34 25.882 -3.623 -7.296 1.00 3.45 N ATOM 525 CA LYS A 34 25.678 -2.337 -6.638 1.00 65.30 C ATOM 526 C LYS A 34 24.513 -2.407 -5.657 1.00 13.12 C ATOM 527 O LYS A 34 23.929 -1.384 -5.296 1.00 25.52 O ATOM 528 CB LYS A 34 25.419 -1.245 -7.678 1.00 1.22 C ATOM 529 CG LYS A 34 26.364 -1.299 -8.866 1.00 4.25 C ATOM 530 CD LYS A 34 27.796 -0.998 -8.453 1.00 74.22 C ATOM 531 CE LYS A 34 28.133 0.473 -8.642 1.00 33.03 C ATOM 532 NZ LYS A 34 28.241 1.188 -7.340 1.00 53.41 N ATOM 0 H LYS A 34 25.109 -3.919 -7.892 1.00 3.45 H new ATOM 0 HA LYS A 34 26.583 -2.093 -6.082 1.00 65.30 H new ATOM 0 HB2 LYS A 34 24.393 -1.332 -8.036 1.00 1.22 H new ATOM 0 HB3 LYS A 34 25.507 -0.270 -7.198 1.00 1.22 H new ATOM 0 HG2 LYS A 34 26.317 -2.286 -9.325 1.00 4.25 H new ATOM 0 HG3 LYS A 34 26.043 -0.581 -9.620 1.00 4.25 H new ATOM 0 HD2 LYS A 34 27.940 -1.274 -7.408 1.00 74.22 H new ATOM 0 HD3 LYS A 34 28.481 -1.608 -9.041 1.00 74.22 H new ATOM 0 HE2 LYS A 34 29.074 0.563 -9.185 1.00 33.03 H new ATOM 0 HE3 LYS A 34 27.365 0.946 -9.254 1.00 33.03 H new ATOM 0 HZ1 LYS A 34 28.472 2.188 -7.511 1.00 53.41 H new ATOM 0 HZ2 LYS A 34 27.336 1.124 -6.832 1.00 53.41 H new ATOM 0 HZ3 LYS A 34 28.991 0.753 -6.766 1.00 53.41 H new ATOM 546 N LYS A 35 24.179 -3.619 -5.227 1.00 74.01 N ATOM 547 CA LYS A 35 23.085 -3.823 -4.285 1.00 55.31 C ATOM 548 C LYS A 35 23.425 -3.233 -2.920 1.00 71.31 C ATOM 549 O LYS A 35 24.411 -2.511 -2.773 1.00 3.12 O ATOM 550 CB LYS A 35 22.776 -5.315 -4.145 1.00 73.13 C ATOM 551 CG LYS A 35 23.884 -6.105 -3.471 1.00 62.03 C ATOM 552 CD LYS A 35 24.035 -7.488 -4.083 1.00 41.42 C ATOM 553 CE LYS A 35 25.281 -8.192 -3.568 1.00 33.32 C ATOM 554 NZ LYS A 35 26.516 -7.692 -4.232 1.00 10.31 N ATOM 0 H LYS A 35 24.651 -4.476 -5.516 1.00 74.01 H new ATOM 0 HA LYS A 35 22.205 -3.311 -4.673 1.00 55.31 H new ATOM 0 HB2 LYS A 35 21.856 -5.435 -3.573 1.00 73.13 H new ATOM 0 HB3 LYS A 35 22.593 -5.734 -5.134 1.00 73.13 H new ATOM 0 HG2 LYS A 35 24.825 -5.562 -3.560 1.00 62.03 H new ATOM 0 HG3 LYS A 35 23.669 -6.199 -2.406 1.00 62.03 H new ATOM 0 HD2 LYS A 35 23.155 -8.088 -3.851 1.00 41.42 H new ATOM 0 HD3 LYS A 35 24.086 -7.403 -5.168 1.00 41.42 H new ATOM 0 HE2 LYS A 35 25.363 -8.044 -2.491 1.00 33.32 H new ATOM 0 HE3 LYS A 35 25.187 -9.265 -3.736 1.00 33.32 H new ATOM 0 HZ1 LYS A 35 27.314 -8.316 -3.996 1.00 10.31 H new ATOM 0 HZ2 LYS A 35 26.377 -7.683 -5.263 1.00 10.31 H new ATOM 0 HZ3 LYS A 35 26.721 -6.727 -3.902 1.00 10.31 H new ATOM 568 N CYS A 36 22.604 -3.547 -1.924 1.00 15.13 N ATOM 569 CA CYS A 36 22.818 -3.050 -0.570 1.00 54.51 C ATOM 570 C CYS A 36 24.248 -3.320 -0.111 1.00 75.10 C ATOM 571 O CYS A 36 24.690 -4.468 -0.064 1.00 64.34 O ATOM 572 CB CYS A 36 21.828 -3.701 0.398 1.00 73.05 C ATOM 573 SG CYS A 36 20.207 -2.873 0.472 1.00 33.23 S ATOM 0 H CYS A 36 21.784 -4.144 -2.029 1.00 15.13 H new ATOM 0 HA CYS A 36 22.654 -1.972 -0.576 1.00 54.51 H new ATOM 0 HB2 CYS A 36 21.680 -4.740 0.105 1.00 73.05 H new ATOM 0 HB3 CYS A 36 22.265 -3.710 1.396 1.00 73.05 H new ATOM 578 N THR A 37 24.966 -2.254 0.228 1.00 62.12 N ATOM 579 CA THR A 37 26.346 -2.375 0.682 1.00 35.34 C ATOM 580 C THR A 37 26.538 -1.708 2.040 1.00 72.44 C ATOM 581 O THR A 37 27.549 -1.048 2.281 1.00 35.01 O ATOM 582 CB THR A 37 27.327 -1.751 -0.327 1.00 53.45 C ATOM 583 OG1 THR A 37 26.956 -0.394 -0.595 1.00 42.34 O ATOM 584 CG2 THR A 37 27.344 -2.543 -1.626 1.00 40.21 C ATOM 0 H THR A 37 24.615 -1.297 0.197 1.00 62.12 H new ATOM 0 HA THR A 37 26.557 -3.441 0.770 1.00 35.34 H new ATOM 0 HB THR A 37 28.326 -1.775 0.108 1.00 53.45 H new ATOM 0 HG1 THR A 37 27.586 -0.003 -1.236 1.00 42.34 H new ATOM 0 HG21 THR A 37 28.044 -2.083 -2.323 1.00 40.21 H new ATOM 0 HG22 THR A 37 27.654 -3.568 -1.423 1.00 40.21 H new ATOM 0 HG23 THR A 37 26.346 -2.546 -2.063 1.00 40.21 H new ATOM 592 N LYS A 38 25.562 -1.885 2.924 1.00 62.20 N ATOM 593 CA LYS A 38 25.624 -1.302 4.259 1.00 21.41 C ATOM 594 C LYS A 38 24.759 -2.091 5.238 1.00 44.34 C ATOM 595 O LYS A 38 23.783 -2.729 4.843 1.00 3.11 O ATOM 596 CB LYS A 38 25.169 0.158 4.222 1.00 53.21 C ATOM 597 CG LYS A 38 26.247 1.142 4.642 1.00 13.30 C ATOM 598 CD LYS A 38 26.175 1.447 6.129 1.00 70.20 C ATOM 599 CE LYS A 38 25.127 2.507 6.431 1.00 72.21 C ATOM 600 NZ LYS A 38 24.951 2.712 7.895 1.00 31.34 N ATOM 0 H LYS A 38 24.718 -2.428 2.740 1.00 62.20 H new ATOM 0 HA LYS A 38 26.659 -1.345 4.599 1.00 21.41 H new ATOM 0 HB2 LYS A 38 24.840 0.402 3.212 1.00 53.21 H new ATOM 0 HB3 LYS A 38 24.305 0.277 4.876 1.00 53.21 H new ATOM 0 HG2 LYS A 38 27.228 0.733 4.401 1.00 13.30 H new ATOM 0 HG3 LYS A 38 26.138 2.066 4.074 1.00 13.30 H new ATOM 0 HD2 LYS A 38 25.940 0.535 6.677 1.00 70.20 H new ATOM 0 HD3 LYS A 38 27.150 1.787 6.479 1.00 70.20 H new ATOM 0 HE2 LYS A 38 25.418 3.448 5.965 1.00 72.21 H new ATOM 0 HE3 LYS A 38 24.175 2.213 5.989 1.00 72.21 H new ATOM 0 HZ1 LYS A 38 24.229 3.442 8.059 1.00 31.34 H new ATOM 0 HZ2 LYS A 38 24.649 1.820 8.337 1.00 31.34 H new ATOM 0 HZ3 LYS A 38 25.853 3.017 8.314 1.00 31.34 H new ATOM 614 N ASP A 39 25.123 -2.041 6.514 1.00 2.22 N ATOM 615 CA ASP A 39 24.379 -2.748 7.550 1.00 72.44 C ATOM 616 C ASP A 39 23.209 -1.907 8.049 1.00 11.52 C ATOM 617 O ASP A 39 23.397 -0.793 8.537 1.00 54.22 O ATOM 618 CB ASP A 39 25.301 -3.106 8.716 1.00 32.03 C ATOM 619 CG ASP A 39 26.137 -1.928 9.176 1.00 14.30 C ATOM 620 OD1 ASP A 39 27.088 -1.557 8.456 1.00 74.41 O ATOM 621 OD2 ASP A 39 25.839 -1.375 10.255 1.00 21.15 O ATOM 0 H ASP A 39 25.929 -1.518 6.856 1.00 2.22 H new ATOM 0 HA ASP A 39 23.983 -3.666 7.116 1.00 72.44 H new ATOM 0 HB2 ASP A 39 24.702 -3.470 9.550 1.00 32.03 H new ATOM 0 HB3 ASP A 39 25.960 -3.921 8.417 1.00 32.03 H new ATOM 626 N ASN A 40 22.001 -2.447 7.923 1.00 41.11 N ATOM 627 CA ASN A 40 20.800 -1.745 8.360 1.00 1.52 C ATOM 628 C ASN A 40 20.637 -0.426 7.610 1.00 64.01 C ATOM 629 O ASN A 40 20.357 0.611 8.210 1.00 25.31 O ATOM 630 CB ASN A 40 20.857 -1.483 9.867 1.00 72.43 C ATOM 631 CG ASN A 40 19.562 -0.904 10.402 1.00 12.31 C ATOM 632 OD1 ASN A 40 18.487 -1.470 10.205 1.00 73.31 O ATOM 633 ND2 ASN A 40 19.659 0.232 11.084 1.00 62.14 N ATOM 0 H ASN A 40 21.828 -3.369 7.522 1.00 41.11 H new ATOM 0 HA ASN A 40 19.940 -2.377 8.139 1.00 1.52 H new ATOM 0 HB2 ASN A 40 21.077 -2.415 10.387 1.00 72.43 H new ATOM 0 HB3 ASN A 40 21.676 -0.796 10.083 1.00 72.43 H new ATOM 0 HD21 ASN A 40 18.821 0.669 11.468 1.00 62.14 H new ATOM 0 HD22 ASN A 40 20.571 0.667 11.223 1.00 62.14 H new ATOM 640 N ASN A 41 20.815 -0.475 6.294 1.00 54.24 N ATOM 641 CA ASN A 41 20.687 0.716 5.461 1.00 64.43 C ATOM 642 C ASN A 41 19.220 1.048 5.207 1.00 61.44 C ATOM 643 O ASN A 41 18.324 0.439 5.791 1.00 32.32 O ATOM 644 CB ASN A 41 21.414 0.512 4.130 1.00 52.14 C ATOM 645 CG ASN A 41 20.889 -0.686 3.362 1.00 42.01 C ATOM 646 OD1 ASN A 41 19.867 -0.602 2.681 1.00 41.22 O ATOM 647 ND2 ASN A 41 21.589 -1.810 3.469 1.00 14.33 N ATOM 0 H ASN A 41 21.048 -1.326 5.781 1.00 54.24 H new ATOM 0 HA ASN A 41 21.142 1.552 5.992 1.00 64.43 H new ATOM 0 HB2 ASN A 41 21.305 1.408 3.519 1.00 52.14 H new ATOM 0 HB3 ASN A 41 22.480 0.381 4.318 1.00 52.14 H new ATOM 0 HD21 ASN A 41 21.285 -2.649 2.975 1.00 14.33 H new ATOM 0 HD22 ASN A 41 22.430 -1.834 4.045 1.00 14.33 H new ATOM 654 N LYS A 42 18.982 2.017 4.330 1.00 51.11 N ATOM 655 CA LYS A 42 17.624 2.430 3.995 1.00 1.24 C ATOM 656 C LYS A 42 17.209 1.883 2.633 1.00 1.42 C ATOM 657 O LYS A 42 17.712 2.321 1.598 1.00 70.22 O ATOM 658 CB LYS A 42 17.518 3.957 3.998 1.00 63.12 C ATOM 659 CG LYS A 42 16.102 4.468 4.196 1.00 51.10 C ATOM 660 CD LYS A 42 15.524 5.025 2.906 1.00 44.34 C ATOM 661 CE LYS A 42 14.123 4.494 2.647 1.00 61.42 C ATOM 662 NZ LYS A 42 13.356 5.378 1.727 1.00 74.24 N ATOM 0 H LYS A 42 19.712 2.532 3.838 1.00 51.11 H new ATOM 0 HA LYS A 42 16.951 2.024 4.750 1.00 1.24 H new ATOM 0 HB2 LYS A 42 18.153 4.355 4.789 1.00 63.12 H new ATOM 0 HB3 LYS A 42 17.905 4.342 3.055 1.00 63.12 H new ATOM 0 HG2 LYS A 42 15.469 3.658 4.559 1.00 51.10 H new ATOM 0 HG3 LYS A 42 16.098 5.243 4.962 1.00 51.10 H new ATOM 0 HD2 LYS A 42 15.498 6.113 2.958 1.00 44.34 H new ATOM 0 HD3 LYS A 42 16.174 4.762 2.072 1.00 44.34 H new ATOM 0 HE2 LYS A 42 14.187 3.493 2.220 1.00 61.42 H new ATOM 0 HE3 LYS A 42 13.589 4.403 3.593 1.00 61.42 H new ATOM 0 HZ1 LYS A 42 12.407 4.981 1.576 1.00 74.24 H new ATOM 0 HZ2 LYS A 42 13.272 6.326 2.146 1.00 74.24 H new ATOM 0 HZ3 LYS A 42 13.852 5.445 0.816 1.00 74.24 H new ATOM 676 N CYS A 43 16.288 0.926 2.641 1.00 72.12 N ATOM 677 CA CYS A 43 15.804 0.320 1.406 1.00 32.14 C ATOM 678 C CYS A 43 14.326 -0.042 1.521 1.00 13.20 C ATOM 679 O CYS A 43 13.870 -0.521 2.560 1.00 24.11 O ATOM 680 CB CYS A 43 16.621 -0.929 1.072 1.00 24.43 C ATOM 681 SG CYS A 43 16.354 -2.321 2.217 1.00 74.34 S ATOM 0 H CYS A 43 15.861 0.553 3.489 1.00 72.12 H new ATOM 0 HA CYS A 43 15.921 1.048 0.603 1.00 32.14 H new ATOM 0 HB2 CYS A 43 16.374 -1.252 0.061 1.00 24.43 H new ATOM 0 HB3 CYS A 43 17.680 -0.669 1.074 1.00 24.43 H new ATOM 686 N THR A 44 13.580 0.191 0.445 1.00 30.03 N ATOM 687 CA THR A 44 12.154 -0.109 0.424 1.00 11.15 C ATOM 688 C THR A 44 11.819 -1.111 -0.674 1.00 53.14 C ATOM 689 O THR A 44 12.068 -0.861 -1.854 1.00 13.42 O ATOM 690 CB THR A 44 11.315 1.166 0.215 1.00 71.24 C ATOM 691 OG1 THR A 44 11.665 1.783 -1.029 1.00 11.50 O ATOM 692 CG2 THR A 44 11.531 2.150 1.354 1.00 24.12 C ATOM 0 H THR A 44 13.940 0.587 -0.423 1.00 30.03 H new ATOM 0 HA THR A 44 11.908 -0.542 1.394 1.00 11.15 H new ATOM 0 HB THR A 44 10.263 0.883 0.197 1.00 71.24 H new ATOM 0 HG1 THR A 44 11.876 1.091 -1.690 1.00 11.50 H new ATOM 0 HG21 THR A 44 10.928 3.042 1.184 1.00 24.12 H new ATOM 0 HG22 THR A 44 11.236 1.687 2.296 1.00 24.12 H new ATOM 0 HG23 THR A 44 12.584 2.427 1.400 1.00 24.12 H new ATOM 700 N VAL A 45 11.252 -2.247 -0.280 1.00 53.33 N ATOM 701 CA VAL A 45 10.880 -3.286 -1.233 1.00 23.44 C ATOM 702 C VAL A 45 9.529 -2.988 -1.872 1.00 60.54 C ATOM 703 O VAL A 45 8.599 -2.540 -1.202 1.00 74.51 O ATOM 704 CB VAL A 45 10.823 -4.670 -0.559 1.00 31.23 C ATOM 705 CG1 VAL A 45 10.378 -5.731 -1.554 1.00 22.00 C ATOM 706 CG2 VAL A 45 12.174 -5.026 0.044 1.00 51.54 C ATOM 0 H VAL A 45 11.040 -2.471 0.692 1.00 53.33 H new ATOM 0 HA VAL A 45 11.649 -3.297 -2.006 1.00 23.44 H new ATOM 0 HB VAL A 45 10.090 -4.632 0.247 1.00 31.23 H new ATOM 0 HG11 VAL A 45 10.344 -6.702 -1.060 1.00 22.00 H new ATOM 0 HG12 VAL A 45 9.387 -5.482 -1.933 1.00 22.00 H new ATOM 0 HG13 VAL A 45 11.084 -5.771 -2.383 1.00 22.00 H new ATOM 0 HG21 VAL A 45 12.115 -6.007 0.516 1.00 51.54 H new ATOM 0 HG22 VAL A 45 12.929 -5.046 -0.742 1.00 51.54 H new ATOM 0 HG23 VAL A 45 12.447 -4.280 0.791 1.00 51.54 H new ATOM 716 N ASP A 46 9.428 -3.240 -3.173 1.00 20.53 N ATOM 717 CA ASP A 46 8.189 -3.001 -3.904 1.00 43.11 C ATOM 718 C ASP A 46 7.574 -4.315 -4.375 1.00 52.45 C ATOM 719 O ASP A 46 8.198 -5.075 -5.117 1.00 34.03 O ATOM 720 CB ASP A 46 8.448 -2.086 -5.102 1.00 2.31 C ATOM 721 CG ASP A 46 7.704 -0.769 -4.996 1.00 23.00 C ATOM 722 OD1 ASP A 46 6.459 -0.797 -4.898 1.00 44.41 O ATOM 723 OD2 ASP A 46 8.367 0.289 -5.010 1.00 40.10 O ATOM 0 H ASP A 46 10.189 -3.610 -3.743 1.00 20.53 H new ATOM 0 HA ASP A 46 7.486 -2.513 -3.229 1.00 43.11 H new ATOM 0 HB2 ASP A 46 9.517 -1.890 -5.182 1.00 2.31 H new ATOM 0 HB3 ASP A 46 8.148 -2.597 -6.017 1.00 2.31 H new ATOM 728 N THR A 47 6.345 -4.577 -3.940 1.00 3.22 N ATOM 729 CA THR A 47 5.646 -5.799 -4.315 1.00 20.21 C ATOM 730 C THR A 47 4.820 -5.594 -5.579 1.00 73.04 C ATOM 731 O THR A 47 3.660 -6.001 -5.647 1.00 54.13 O ATOM 732 CB THR A 47 4.721 -6.287 -3.184 1.00 53.40 C ATOM 733 OG1 THR A 47 4.076 -7.505 -3.570 1.00 34.41 O ATOM 734 CG2 THR A 47 3.673 -5.235 -2.851 1.00 73.44 C ATOM 0 H THR A 47 5.814 -3.958 -3.327 1.00 3.22 H new ATOM 0 HA THR A 47 6.409 -6.555 -4.502 1.00 20.21 H new ATOM 0 HB THR A 47 5.330 -6.464 -2.297 1.00 53.40 H new ATOM 0 HG1 THR A 47 3.608 -7.372 -4.421 1.00 34.41 H new ATOM 0 HG21 THR A 47 3.031 -5.602 -2.050 1.00 73.44 H new ATOM 0 HG22 THR A 47 4.167 -4.318 -2.529 1.00 73.44 H new ATOM 0 HG23 THR A 47 3.069 -5.031 -3.735 1.00 73.44 H new ATOM 742 N TYR A 48 5.424 -4.962 -6.579 1.00 51.50 N ATOM 743 CA TYR A 48 4.743 -4.701 -7.841 1.00 54.15 C ATOM 744 C TYR A 48 5.515 -5.302 -9.012 1.00 21.03 C ATOM 745 O TYR A 48 4.925 -5.784 -9.977 1.00 72.23 O ATOM 746 CB TYR A 48 4.569 -3.196 -8.050 1.00 53.41 C ATOM 747 CG TYR A 48 3.575 -2.845 -9.135 1.00 25.41 C ATOM 748 CD1 TYR A 48 2.312 -3.424 -9.160 1.00 42.43 C ATOM 749 CD2 TYR A 48 3.900 -1.937 -10.135 1.00 22.30 C ATOM 750 CE1 TYR A 48 1.402 -3.107 -10.150 1.00 35.32 C ATOM 751 CE2 TYR A 48 2.995 -1.614 -11.127 1.00 45.15 C ATOM 752 CZ TYR A 48 1.748 -2.202 -11.131 1.00 13.42 C ATOM 753 OH TYR A 48 0.844 -1.883 -12.119 1.00 21.14 O ATOM 0 H TYR A 48 6.384 -4.621 -6.540 1.00 51.50 H new ATOM 0 HA TYR A 48 3.761 -5.171 -7.797 1.00 54.15 H new ATOM 0 HB2 TYR A 48 4.246 -2.743 -7.113 1.00 53.41 H new ATOM 0 HB3 TYR A 48 5.536 -2.758 -8.299 1.00 53.41 H new ATOM 0 HD1 TYR A 48 2.037 -4.133 -8.393 1.00 42.43 H new ATOM 0 HD2 TYR A 48 4.877 -1.476 -10.137 1.00 22.30 H new ATOM 0 HE1 TYR A 48 0.424 -3.566 -10.155 1.00 35.32 H new ATOM 0 HE2 TYR A 48 3.263 -0.904 -11.896 1.00 45.15 H new ATOM 0 HH TYR A 48 1.244 -1.230 -12.730 1.00 21.14 H new ATOM 763 N ASN A 49 6.840 -5.269 -8.916 1.00 64.34 N ATOM 764 CA ASN A 49 7.696 -5.811 -9.966 1.00 52.44 C ATOM 765 C ASN A 49 9.053 -6.222 -9.404 1.00 43.52 C ATOM 766 O ASN A 49 10.054 -6.236 -10.120 1.00 32.43 O ATOM 767 CB ASN A 49 7.884 -4.780 -11.082 1.00 32.24 C ATOM 768 CG ASN A 49 8.150 -3.388 -10.543 1.00 53.43 C ATOM 769 OD1 ASN A 49 7.247 -2.553 -10.478 1.00 44.41 O ATOM 770 ND2 ASN A 49 9.393 -3.131 -10.155 1.00 23.12 N ATOM 0 H ASN A 49 7.344 -4.873 -8.123 1.00 64.34 H new ATOM 0 HA ASN A 49 7.210 -6.696 -10.376 1.00 52.44 H new ATOM 0 HB2 ASN A 49 8.714 -5.085 -11.719 1.00 32.24 H new ATOM 0 HB3 ASN A 49 6.992 -4.760 -11.709 1.00 32.24 H new ATOM 0 HD21 ASN A 49 9.632 -2.211 -9.785 1.00 23.12 H new ATOM 0 HD22 ASN A 49 10.109 -3.853 -10.227 1.00 23.12 H new ATOM 777 N ASN A 50 9.079 -6.555 -8.118 1.00 34.01 N ATOM 778 CA ASN A 50 10.313 -6.966 -7.459 1.00 71.41 C ATOM 779 C ASN A 50 11.421 -5.944 -7.693 1.00 20.05 C ATOM 780 O ASN A 50 12.205 -6.067 -8.633 1.00 71.11 O ATOM 781 CB ASN A 50 10.755 -8.339 -7.970 1.00 32.55 C ATOM 782 CG ASN A 50 11.958 -8.876 -7.219 1.00 2.35 C ATOM 783 OD1 ASN A 50 12.216 -8.488 -6.079 1.00 10.21 O ATOM 784 ND2 ASN A 50 12.702 -9.773 -7.856 1.00 13.51 N ATOM 0 H ASN A 50 8.259 -6.548 -7.511 1.00 34.01 H new ATOM 0 HA ASN A 50 10.120 -7.028 -6.388 1.00 71.41 H new ATOM 0 HB2 ASN A 50 9.928 -9.042 -7.876 1.00 32.55 H new ATOM 0 HB3 ASN A 50 10.994 -8.269 -9.031 1.00 32.55 H new ATOM 0 HD21 ASN A 50 13.524 -10.169 -7.401 1.00 13.51 H new ATOM 0 HD22 ASN A 50 12.451 -10.066 -8.800 1.00 13.51 H new ATOM 791 N ALA A 51 11.479 -4.935 -6.829 1.00 64.41 N ATOM 792 CA ALA A 51 12.492 -3.893 -6.939 1.00 65.23 C ATOM 793 C ALA A 51 12.637 -3.127 -5.629 1.00 14.12 C ATOM 794 O ALA A 51 11.763 -2.344 -5.257 1.00 13.35 O ATOM 795 CB ALA A 51 12.148 -2.941 -8.075 1.00 4.32 C ATOM 0 H ALA A 51 10.836 -4.818 -6.046 1.00 64.41 H new ATOM 0 HA ALA A 51 13.447 -4.371 -7.157 1.00 65.23 H new ATOM 0 HB1 ALA A 51 12.913 -2.168 -8.146 1.00 4.32 H new ATOM 0 HB2 ALA A 51 12.104 -3.495 -9.013 1.00 4.32 H new ATOM 0 HB3 ALA A 51 11.181 -2.478 -7.881 1.00 4.32 H new ATOM 801 N VAL A 52 13.745 -3.358 -4.932 1.00 33.30 N ATOM 802 CA VAL A 52 14.003 -2.689 -3.663 1.00 23.34 C ATOM 803 C VAL A 52 14.867 -1.449 -3.861 1.00 65.11 C ATOM 804 O VAL A 52 15.785 -1.444 -4.682 1.00 23.34 O ATOM 805 CB VAL A 52 14.699 -3.632 -2.663 1.00 4.11 C ATOM 806 CG1 VAL A 52 16.161 -3.823 -3.038 1.00 1.22 C ATOM 807 CG2 VAL A 52 14.570 -3.095 -1.246 1.00 14.43 C ATOM 0 H VAL A 52 14.478 -4.004 -5.225 1.00 33.30 H new ATOM 0 HA VAL A 52 13.035 -2.393 -3.259 1.00 23.34 H new ATOM 0 HB VAL A 52 14.208 -4.604 -2.705 1.00 4.11 H new ATOM 0 HG11 VAL A 52 16.636 -4.492 -2.321 1.00 1.22 H new ATOM 0 HG12 VAL A 52 16.227 -4.256 -4.036 1.00 1.22 H new ATOM 0 HG13 VAL A 52 16.669 -2.859 -3.026 1.00 1.22 H new ATOM 0 HG21 VAL A 52 15.067 -3.774 -0.553 1.00 14.43 H new ATOM 0 HG22 VAL A 52 15.035 -2.111 -1.186 1.00 14.43 H new ATOM 0 HG23 VAL A 52 13.516 -3.015 -0.982 1.00 14.43 H new ATOM 817 N ASP A 53 14.568 -0.399 -3.104 1.00 61.23 N ATOM 818 CA ASP A 53 15.319 0.848 -3.195 1.00 73.24 C ATOM 819 C ASP A 53 16.592 0.778 -2.359 1.00 25.31 C ATOM 820 O ASP A 53 16.793 1.579 -1.446 1.00 2.03 O ATOM 821 CB ASP A 53 14.455 2.023 -2.734 1.00 71.23 C ATOM 822 CG ASP A 53 13.589 2.577 -3.849 1.00 4.54 C ATOM 823 OD1 ASP A 53 12.351 2.599 -3.684 1.00 64.11 O ATOM 824 OD2 ASP A 53 14.150 2.991 -4.885 1.00 21.03 O ATOM 0 H ASP A 53 13.811 -0.386 -2.421 1.00 61.23 H new ATOM 0 HA ASP A 53 15.599 1.000 -4.238 1.00 73.24 H new ATOM 0 HB2 ASP A 53 13.819 1.701 -1.910 1.00 71.23 H new ATOM 0 HB3 ASP A 53 15.098 2.815 -2.350 1.00 71.23 H new ATOM 829 N CYS A 54 17.450 -0.186 -2.676 1.00 62.41 N ATOM 830 CA CYS A 54 18.704 -0.363 -1.954 1.00 21.24 C ATOM 831 C CYS A 54 19.583 0.878 -2.077 1.00 51.25 C ATOM 832 O CYS A 54 19.723 1.447 -3.160 1.00 61.45 O ATOM 833 CB CYS A 54 19.454 -1.587 -2.483 1.00 72.23 C ATOM 834 SG CYS A 54 19.712 -1.578 -4.286 1.00 44.05 S ATOM 0 H CYS A 54 17.299 -0.857 -3.429 1.00 62.41 H new ATOM 0 HA CYS A 54 18.468 -0.517 -0.901 1.00 21.24 H new ATOM 0 HB2 CYS A 54 20.423 -1.648 -1.988 1.00 72.23 H new ATOM 0 HB3 CYS A 54 18.900 -2.485 -2.210 1.00 72.23 H new ATOM 839 N ASP A 55 20.172 1.292 -0.961 1.00 43.44 N ATOM 840 CA ASP A 55 21.039 2.465 -0.944 1.00 52.33 C ATOM 841 C ASP A 55 22.166 2.323 -1.962 1.00 24.33 C ATOM 842 O ASP A 55 22.292 3.132 -2.882 1.00 13.33 O ATOM 843 CB ASP A 55 21.621 2.676 0.454 1.00 33.44 C ATOM 844 CG ASP A 55 22.830 3.590 0.447 1.00 61.31 C ATOM 845 OD1 ASP A 55 23.932 3.119 0.798 1.00 23.15 O ATOM 846 OD2 ASP A 55 22.675 4.776 0.089 1.00 74.33 O ATOM 0 H ASP A 55 20.065 0.833 -0.056 1.00 43.44 H new ATOM 0 HA ASP A 55 20.438 3.334 -1.213 1.00 52.33 H new ATOM 0 HB2 ASP A 55 20.854 3.098 1.103 1.00 33.44 H new ATOM 0 HB3 ASP A 55 21.901 1.711 0.877 1.00 33.44 H new