USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=14 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 33 ASN : amide:sc= -0.984 K(o=-0.98,f=-2) USER MOD Set 1.2: A 34 LYS NZ :NH3+ -120:sc=0.000111 (180deg=0) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 180:sc=-0.00542 (180deg=0) USER MOD Set 2.2: A 15 LYS NZ :NH3+ -171:sc= 0.155 (180deg=0.119) 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= 0.00413 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00105 USER MOD Single : A 9 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.118) 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= -0.953 K(o=-0.95,f=-3.8!) 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 18 ASN : amide:sc= -1.95! C(o=-2!,f=-5!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 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 35 LYS NZ :NH3+ -178:sc= 0.103 (180deg=0.102) USER MOD Single : A 37 THR OG1 : rot -19:sc= 0.509! USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.0394 X(o=-0.039,f=0) USER MOD Single : A 41 ASN : amide:sc= -2.39 K(o=-2.4,f=-5.7!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 72:sc= 0.0698 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0715 X(o=-0.072,f=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 11 N LYS A 2 1.263 -2.349 -2.280 1.00 52.52 N ATOM 12 CA LYS A 2 0.906 -3.647 -2.838 1.00 62.53 C ATOM 13 C LYS A 2 -0.365 -3.550 -3.675 1.00 52.43 C ATOM 14 O LYS A 2 -1.407 -3.108 -3.190 1.00 30.11 O ATOM 15 CB LYS A 2 0.714 -4.672 -1.718 1.00 2.23 C ATOM 16 CG LYS A 2 1.972 -5.457 -1.389 1.00 2.31 C ATOM 17 CD LYS A 2 1.647 -6.758 -0.675 1.00 70.23 C ATOM 18 CE LYS A 2 2.280 -7.951 -1.376 1.00 33.04 C ATOM 19 NZ LYS A 2 1.791 -9.244 -0.821 1.00 14.53 N ATOM 0 HA LYS A 2 1.721 -3.972 -3.484 1.00 62.53 H new ATOM 0 HB2 LYS A 2 0.372 -4.157 -0.820 1.00 2.23 H new ATOM 0 HB3 LYS A 2 -0.074 -5.368 -2.005 1.00 2.23 H new ATOM 0 HG2 LYS A 2 2.518 -5.672 -2.307 1.00 2.31 H new ATOM 0 HG3 LYS A 2 2.627 -4.851 -0.763 1.00 2.31 H new ATOM 0 HD2 LYS A 2 2.003 -6.708 0.354 1.00 70.23 H new ATOM 0 HD3 LYS A 2 0.566 -6.891 -0.633 1.00 70.23 H new ATOM 0 HE2 LYS A 2 2.057 -7.906 -2.442 1.00 33.04 H new ATOM 0 HE3 LYS A 2 3.364 -7.899 -1.274 1.00 33.04 H new ATOM 0 HZ1 LYS A 2 2.246 -10.032 -1.325 1.00 14.53 H new ATOM 0 HZ2 LYS A 2 2.026 -9.298 0.191 1.00 14.53 H new ATOM 0 HZ3 LYS A 2 0.760 -9.305 -0.941 1.00 14.53 H new ATOM 33 N TYR A 3 -0.273 -3.965 -4.934 1.00 1.04 N ATOM 34 CA TYR A 3 -1.416 -3.923 -5.838 1.00 62.11 C ATOM 35 C TYR A 3 -1.714 -5.308 -6.403 1.00 74.33 C ATOM 36 O TYR A 3 -0.814 -6.014 -6.860 1.00 11.13 O ATOM 37 CB TYR A 3 -1.153 -2.940 -6.980 1.00 53.21 C ATOM 38 CG TYR A 3 -1.008 -1.506 -6.523 1.00 51.11 C ATOM 39 CD1 TYR A 3 -2.074 -0.829 -5.945 1.00 14.24 C ATOM 40 CD2 TYR A 3 0.196 -0.828 -6.669 1.00 63.41 C ATOM 41 CE1 TYR A 3 -1.946 0.482 -5.526 1.00 72.55 C ATOM 42 CE2 TYR A 3 0.334 0.482 -6.253 1.00 21.45 C ATOM 43 CZ TYR A 3 -0.740 1.132 -5.682 1.00 51.34 C ATOM 44 OH TYR A 3 -0.608 2.437 -5.266 1.00 0.22 O ATOM 0 H TYR A 3 0.581 -4.334 -5.351 1.00 1.04 H new ATOM 0 HA TYR A 3 -2.284 -3.587 -5.271 1.00 62.11 H new ATOM 0 HB2 TYR A 3 -0.245 -3.239 -7.504 1.00 53.21 H new ATOM 0 HB3 TYR A 3 -1.971 -3.003 -7.698 1.00 53.21 H new ATOM 0 HD1 TYR A 3 -3.020 -1.336 -5.821 1.00 14.24 H new ATOM 0 HD2 TYR A 3 1.039 -1.334 -7.116 1.00 63.41 H new ATOM 0 HE1 TYR A 3 -2.785 0.994 -5.079 1.00 72.55 H new ATOM 0 HE2 TYR A 3 1.277 0.994 -6.374 1.00 21.45 H new ATOM 0 HH TYR A 3 0.304 2.747 -5.446 1.00 0.22 H new ATOM 54 N THR A 4 -2.987 -5.692 -6.370 1.00 22.30 N ATOM 55 CA THR A 4 -3.406 -6.992 -6.878 1.00 34.44 C ATOM 56 C THR A 4 -3.947 -6.880 -8.299 1.00 4.44 C ATOM 57 O THR A 4 -4.890 -6.133 -8.557 1.00 61.31 O ATOM 58 CB THR A 4 -4.486 -7.625 -5.979 1.00 2.31 C ATOM 59 OG1 THR A 4 -4.606 -6.882 -4.761 1.00 0.43 O ATOM 60 CG2 THR A 4 -4.147 -9.074 -5.664 1.00 3.34 C ATOM 0 H THR A 4 -3.745 -5.121 -5.997 1.00 22.30 H new ATOM 0 HA THR A 4 -2.522 -7.630 -6.878 1.00 34.44 H new ATOM 0 HB THR A 4 -5.435 -7.599 -6.515 1.00 2.31 H new ATOM 0 HG1 THR A 4 -5.295 -7.289 -4.196 1.00 0.43 H new ATOM 0 HG21 THR A 4 -4.924 -9.499 -5.028 1.00 3.34 H new ATOM 0 HG22 THR A 4 -4.085 -9.643 -6.592 1.00 3.34 H new ATOM 0 HG23 THR A 4 -3.189 -9.119 -5.146 1.00 3.34 H new ATOM 68 N GLY A 5 -3.342 -7.627 -9.218 1.00 13.42 N ATOM 69 CA GLY A 5 -3.777 -7.596 -10.602 1.00 14.11 C ATOM 70 C GLY A 5 -3.805 -8.974 -11.232 1.00 35.44 C ATOM 71 O GLY A 5 -3.185 -9.910 -10.725 1.00 51.42 O ATOM 0 H GLY A 5 -2.559 -8.253 -9.029 1.00 13.42 H new ATOM 0 HA2 GLY A 5 -4.772 -7.155 -10.657 1.00 14.11 H new ATOM 0 HA3 GLY A 5 -3.110 -6.952 -11.175 1.00 14.11 H new ATOM 75 N LYS A 6 -4.529 -9.103 -12.339 1.00 5.31 N ATOM 76 CA LYS A 6 -4.636 -10.377 -13.040 1.00 15.25 C ATOM 77 C LYS A 6 -4.002 -10.292 -14.424 1.00 23.01 C ATOM 78 O LYS A 6 -4.184 -9.309 -15.142 1.00 42.34 O ATOM 79 CB LYS A 6 -6.104 -10.791 -13.164 1.00 55.14 C ATOM 80 CG LYS A 6 -6.855 -10.775 -11.844 1.00 73.32 C ATOM 81 CD LYS A 6 -8.228 -10.140 -11.991 1.00 3.34 C ATOM 82 CE LYS A 6 -8.124 -8.677 -12.396 1.00 33.41 C ATOM 83 NZ LYS A 6 -9.299 -7.889 -11.931 1.00 3.41 N ATOM 0 H LYS A 6 -5.051 -8.340 -12.770 1.00 5.31 H new ATOM 0 HA LYS A 6 -4.100 -11.129 -12.461 1.00 15.25 H new ATOM 0 HB2 LYS A 6 -6.603 -10.122 -13.864 1.00 55.14 H new ATOM 0 HB3 LYS A 6 -6.155 -11.793 -13.589 1.00 55.14 H new ATOM 0 HG2 LYS A 6 -6.962 -11.794 -11.473 1.00 73.32 H new ATOM 0 HG3 LYS A 6 -6.276 -10.225 -11.102 1.00 73.32 H new ATOM 0 HD2 LYS A 6 -8.804 -10.686 -12.738 1.00 3.34 H new ATOM 0 HD3 LYS A 6 -8.770 -10.220 -11.049 1.00 3.34 H new ATOM 0 HE2 LYS A 6 -7.212 -8.249 -11.980 1.00 33.41 H new ATOM 0 HE3 LYS A 6 -8.044 -8.605 -13.481 1.00 33.41 H new ATOM 0 HZ1 LYS A 6 -9.191 -6.898 -12.226 1.00 3.41 H new ATOM 0 HZ2 LYS A 6 -10.167 -8.282 -12.348 1.00 3.41 H new ATOM 0 HZ3 LYS A 6 -9.360 -7.937 -10.894 1.00 3.41 H new ATOM 97 N CYS A 7 -3.257 -11.329 -14.793 1.00 12.00 N ATOM 98 CA CYS A 7 -2.596 -11.373 -16.092 1.00 12.34 C ATOM 99 C CYS A 7 -3.000 -12.624 -16.866 1.00 20.34 C ATOM 100 O CYS A 7 -3.534 -13.576 -16.295 1.00 65.40 O ATOM 101 CB CYS A 7 -1.077 -11.337 -15.915 1.00 42.23 C ATOM 102 SG CYS A 7 -0.319 -12.974 -15.662 1.00 2.33 S ATOM 0 H CYS A 7 -3.096 -12.151 -14.210 1.00 12.00 H new ATOM 0 HA CYS A 7 -2.910 -10.498 -16.662 1.00 12.34 H new ATOM 0 HB2 CYS A 7 -0.630 -10.874 -16.795 1.00 42.23 H new ATOM 0 HB3 CYS A 7 -0.836 -10.701 -15.063 1.00 42.23 H new ATOM 107 N THR A 8 -2.741 -12.616 -18.170 1.00 34.13 N ATOM 108 CA THR A 8 -3.078 -13.749 -19.023 1.00 11.22 C ATOM 109 C THR A 8 -1.823 -14.468 -19.503 1.00 5.30 C ATOM 110 O THR A 8 -0.779 -13.847 -19.707 1.00 61.44 O ATOM 111 CB THR A 8 -3.902 -13.305 -20.246 1.00 63.35 C ATOM 112 OG1 THR A 8 -3.820 -11.884 -20.403 1.00 62.32 O ATOM 113 CG2 THR A 8 -5.357 -13.721 -20.099 1.00 35.24 C ATOM 0 H THR A 8 -2.299 -11.837 -18.658 1.00 34.13 H new ATOM 0 HA THR A 8 -3.676 -14.432 -18.420 1.00 11.22 H new ATOM 0 HB THR A 8 -3.489 -13.792 -21.130 1.00 63.35 H new ATOM 0 HG1 THR A 8 -4.345 -11.610 -21.184 1.00 62.32 H new ATOM 0 HG21 THR A 8 -5.919 -13.396 -20.975 1.00 35.24 H new ATOM 0 HG22 THR A 8 -5.418 -14.806 -20.010 1.00 35.24 H new ATOM 0 HG23 THR A 8 -5.779 -13.260 -19.206 1.00 35.24 H new ATOM 121 N LYS A 9 -1.930 -15.780 -19.682 1.00 42.14 N ATOM 122 CA LYS A 9 -0.804 -16.585 -20.141 1.00 3.50 C ATOM 123 C LYS A 9 -0.571 -16.393 -21.636 1.00 51.22 C ATOM 124 O LYS A 9 0.526 -16.634 -22.139 1.00 61.03 O ATOM 125 CB LYS A 9 -1.051 -18.064 -19.838 1.00 64.11 C ATOM 126 CG LYS A 9 -2.093 -18.704 -20.739 1.00 45.23 C ATOM 127 CD LYS A 9 -2.834 -19.823 -20.028 1.00 25.43 C ATOM 128 CE LYS A 9 -1.879 -20.907 -19.548 1.00 55.51 C ATOM 129 NZ LYS A 9 -1.168 -21.560 -20.681 1.00 62.22 N ATOM 0 H LYS A 9 -2.786 -16.309 -19.516 1.00 42.14 H new ATOM 0 HA LYS A 9 0.087 -16.255 -19.607 1.00 3.50 H new ATOM 0 HB2 LYS A 9 -0.112 -18.609 -19.939 1.00 64.11 H new ATOM 0 HB3 LYS A 9 -1.369 -18.165 -18.800 1.00 64.11 H new ATOM 0 HG2 LYS A 9 -2.805 -17.947 -21.068 1.00 45.23 H new ATOM 0 HG3 LYS A 9 -1.610 -19.097 -21.633 1.00 45.23 H new ATOM 0 HD2 LYS A 9 -3.381 -19.416 -19.178 1.00 25.43 H new ATOM 0 HD3 LYS A 9 -3.571 -20.259 -20.702 1.00 25.43 H new ATOM 0 HE2 LYS A 9 -1.150 -20.472 -18.864 1.00 55.51 H new ATOM 0 HE3 LYS A 9 -2.435 -21.658 -18.987 1.00 55.51 H new ATOM 0 HZ1 LYS A 9 -0.659 -22.398 -20.335 1.00 62.22 H new ATOM 0 HZ2 LYS A 9 -1.858 -21.848 -21.404 1.00 62.22 H new ATOM 0 HZ3 LYS A 9 -0.489 -20.891 -21.097 1.00 62.22 H new ATOM 143 N SER A 10 -1.610 -15.956 -22.341 1.00 31.30 N ATOM 144 CA SER A 10 -1.519 -15.734 -23.779 1.00 72.33 C ATOM 145 C SER A 10 -0.942 -14.355 -24.081 1.00 3.34 C ATOM 146 O SER A 10 -0.044 -14.212 -24.911 1.00 5.04 O ATOM 147 CB SER A 10 -2.898 -15.875 -24.427 1.00 13.14 C ATOM 148 OG SER A 10 -2.788 -16.297 -25.775 1.00 32.32 O ATOM 0 H SER A 10 -2.524 -15.749 -21.939 1.00 31.30 H new ATOM 0 HA SER A 10 -0.851 -16.487 -24.196 1.00 72.33 H new ATOM 0 HB2 SER A 10 -3.495 -16.593 -23.865 1.00 13.14 H new ATOM 0 HB3 SER A 10 -3.423 -14.921 -24.383 1.00 13.14 H new ATOM 0 HG SER A 10 -3.683 -16.381 -26.166 1.00 32.32 H new ATOM 154 N LYS A 11 -1.464 -13.340 -23.400 1.00 71.11 N ATOM 155 CA LYS A 11 -1.002 -11.971 -23.592 1.00 3.32 C ATOM 156 C LYS A 11 0.155 -11.650 -22.650 1.00 73.03 C ATOM 157 O LYS A 11 0.872 -10.670 -22.845 1.00 42.11 O ATOM 158 CB LYS A 11 -2.150 -10.986 -23.360 1.00 41.24 C ATOM 159 CG LYS A 11 -2.318 -9.974 -24.480 1.00 53.25 C ATOM 160 CD LYS A 11 -3.312 -8.887 -24.106 1.00 33.33 C ATOM 161 CE LYS A 11 -4.694 -9.176 -24.672 1.00 61.34 C ATOM 162 NZ LYS A 11 -5.732 -8.285 -24.085 1.00 41.41 N ATOM 0 H LYS A 11 -2.208 -13.440 -22.710 1.00 71.11 H new ATOM 0 HA LYS A 11 -0.650 -11.874 -24.619 1.00 3.32 H new ATOM 0 HB2 LYS A 11 -3.079 -11.544 -23.244 1.00 41.24 H new ATOM 0 HB3 LYS A 11 -1.978 -10.455 -22.424 1.00 41.24 H new ATOM 0 HG2 LYS A 11 -1.353 -9.522 -24.711 1.00 53.25 H new ATOM 0 HG3 LYS A 11 -2.656 -10.482 -25.383 1.00 53.25 H new ATOM 0 HD2 LYS A 11 -3.372 -8.805 -23.021 1.00 33.33 H new ATOM 0 HD3 LYS A 11 -2.959 -7.926 -24.479 1.00 33.33 H new ATOM 0 HE2 LYS A 11 -4.677 -9.049 -25.754 1.00 61.34 H new ATOM 0 HE3 LYS A 11 -4.956 -10.216 -24.477 1.00 61.34 H new ATOM 0 HZ1 LYS A 11 -6.659 -8.514 -24.497 1.00 41.41 H new ATOM 0 HZ2 LYS A 11 -5.767 -8.424 -23.055 1.00 41.41 H new ATOM 0 HZ3 LYS A 11 -5.496 -7.294 -24.293 1.00 41.41 H new ATOM 176 N ASN A 12 0.330 -12.484 -21.630 1.00 40.23 N ATOM 177 CA ASN A 12 1.400 -12.289 -20.659 1.00 44.01 C ATOM 178 C ASN A 12 1.430 -10.846 -20.164 1.00 62.05 C ATOM 179 O ASN A 12 2.495 -10.238 -20.058 1.00 31.52 O ATOM 180 CB ASN A 12 2.751 -12.656 -21.277 1.00 61.01 C ATOM 181 CG ASN A 12 3.784 -13.029 -20.231 1.00 14.42 C ATOM 182 OD1 ASN A 12 3.571 -12.829 -19.035 1.00 23.24 O ATOM 183 ND2 ASN A 12 4.909 -13.573 -20.678 1.00 43.31 N ATOM 0 H ASN A 12 -0.255 -13.301 -21.455 1.00 40.23 H new ATOM 0 HA ASN A 12 1.207 -12.942 -19.808 1.00 44.01 H new ATOM 0 HB2 ASN A 12 2.618 -13.490 -21.966 1.00 61.01 H new ATOM 0 HB3 ASN A 12 3.120 -11.814 -21.864 1.00 61.01 H new ATOM 0 HD21 ASN A 12 5.641 -13.844 -20.021 1.00 43.31 H new ATOM 0 HD22 ASN A 12 5.042 -13.720 -21.679 1.00 43.31 H new ATOM 190 N GLU A 13 0.254 -10.305 -19.864 1.00 12.22 N ATOM 191 CA GLU A 13 0.146 -8.933 -19.381 1.00 32.23 C ATOM 192 C GLU A 13 -0.805 -8.849 -18.190 1.00 24.12 C ATOM 193 O GLU A 13 -1.942 -9.316 -18.255 1.00 13.14 O ATOM 194 CB GLU A 13 -0.340 -8.011 -20.501 1.00 21.10 C ATOM 195 CG GLU A 13 -0.733 -6.624 -20.020 1.00 71.44 C ATOM 196 CD GLU A 13 -1.232 -5.737 -21.144 1.00 44.04 C ATOM 197 OE1 GLU A 13 -0.390 -5.193 -21.889 1.00 50.40 O ATOM 198 OE2 GLU A 13 -2.464 -5.587 -21.279 1.00 72.41 O ATOM 0 H GLU A 13 -0.637 -10.795 -19.947 1.00 12.22 H new ATOM 0 HA GLU A 13 1.136 -8.610 -19.058 1.00 32.23 H new ATOM 0 HB2 GLU A 13 0.446 -7.917 -21.250 1.00 21.10 H new ATOM 0 HB3 GLU A 13 -1.196 -8.472 -20.994 1.00 21.10 H new ATOM 0 HG2 GLU A 13 -1.510 -6.713 -19.260 1.00 71.44 H new ATOM 0 HG3 GLU A 13 0.126 -6.152 -19.543 1.00 71.44 H new ATOM 205 N CYS A 14 -0.330 -8.251 -17.102 1.00 64.14 N ATOM 206 CA CYS A 14 -1.135 -8.106 -15.896 1.00 5.34 C ATOM 207 C CYS A 14 -1.851 -6.758 -15.879 1.00 30.53 C ATOM 208 O CYS A 14 -1.489 -5.841 -16.615 1.00 53.34 O ATOM 209 CB CYS A 14 -0.255 -8.244 -14.651 1.00 53.32 C ATOM 210 SG CYS A 14 -1.152 -8.794 -13.164 1.00 54.22 S ATOM 0 H CYS A 14 0.609 -7.859 -17.032 1.00 64.14 H new ATOM 0 HA CYS A 14 -1.885 -8.897 -15.892 1.00 5.34 H new ATOM 0 HB2 CYS A 14 0.546 -8.953 -14.862 1.00 53.32 H new ATOM 0 HB3 CYS A 14 0.216 -7.283 -14.444 1.00 53.32 H new ATOM 215 N LYS A 15 -2.869 -6.647 -15.033 1.00 14.14 N ATOM 216 CA LYS A 15 -3.637 -5.413 -14.917 1.00 0.31 C ATOM 217 C LYS A 15 -4.036 -5.154 -13.468 1.00 4.44 C ATOM 218 O LYS A 15 -4.665 -5.996 -12.827 1.00 2.13 O ATOM 219 CB LYS A 15 -4.887 -5.481 -15.796 1.00 75.25 C ATOM 220 CG LYS A 15 -5.895 -6.523 -15.342 1.00 24.34 C ATOM 221 CD LYS A 15 -6.999 -5.903 -14.502 1.00 44.31 C ATOM 222 CE LYS A 15 -8.227 -5.588 -15.342 1.00 34.44 C ATOM 223 NZ LYS A 15 -9.327 -5.009 -14.521 1.00 5.03 N ATOM 0 H LYS A 15 -3.182 -7.397 -14.417 1.00 14.14 H new ATOM 0 HA LYS A 15 -3.007 -4.590 -15.255 1.00 0.31 H new ATOM 0 HB2 LYS A 15 -5.368 -4.503 -15.805 1.00 75.25 H new ATOM 0 HB3 LYS A 15 -4.588 -5.699 -16.821 1.00 75.25 H new ATOM 0 HG2 LYS A 15 -6.331 -7.012 -16.213 1.00 24.34 H new ATOM 0 HG3 LYS A 15 -5.387 -7.295 -14.764 1.00 24.34 H new ATOM 0 HD2 LYS A 15 -7.272 -6.585 -13.697 1.00 44.31 H new ATOM 0 HD3 LYS A 15 -6.632 -4.989 -14.034 1.00 44.31 H new ATOM 0 HE2 LYS A 15 -7.957 -4.888 -16.132 1.00 34.44 H new ATOM 0 HE3 LYS A 15 -8.577 -6.498 -15.829 1.00 34.44 H new ATOM 0 HZ1 LYS A 15 -10.193 -4.950 -15.093 1.00 5.03 H new ATOM 0 HZ2 LYS A 15 -9.499 -5.616 -13.694 1.00 5.03 H new ATOM 0 HZ3 LYS A 15 -9.058 -4.057 -14.202 1.00 5.03 H new ATOM 237 N TYR A 16 -3.667 -3.984 -12.958 1.00 0.24 N ATOM 238 CA TYR A 16 -3.986 -3.615 -11.583 1.00 45.35 C ATOM 239 C TYR A 16 -4.305 -2.127 -11.479 1.00 51.53 C ATOM 240 O TYR A 16 -4.005 -1.349 -12.386 1.00 22.42 O ATOM 241 CB TYR A 16 -2.820 -3.964 -10.656 1.00 51.52 C ATOM 242 CG TYR A 16 -1.560 -3.179 -10.946 1.00 32.31 C ATOM 243 CD1 TYR A 16 -0.667 -3.598 -11.924 1.00 52.35 C ATOM 244 CD2 TYR A 16 -1.263 -2.019 -10.241 1.00 55.03 C ATOM 245 CE1 TYR A 16 0.485 -2.885 -12.192 1.00 4.33 C ATOM 246 CE2 TYR A 16 -0.114 -1.299 -10.503 1.00 0.32 C ATOM 247 CZ TYR A 16 0.757 -1.736 -11.479 1.00 5.25 C ATOM 248 OH TYR A 16 1.904 -1.022 -11.743 1.00 12.13 O ATOM 0 H TYR A 16 -3.147 -3.275 -13.475 1.00 0.24 H new ATOM 0 HA TYR A 16 -4.867 -4.179 -11.277 1.00 45.35 H new ATOM 0 HB2 TYR A 16 -3.121 -3.784 -9.624 1.00 51.52 H new ATOM 0 HB3 TYR A 16 -2.603 -5.029 -10.744 1.00 51.52 H new ATOM 0 HD1 TYR A 16 -0.877 -4.497 -12.485 1.00 52.35 H new ATOM 0 HD2 TYR A 16 -1.942 -1.675 -9.475 1.00 55.03 H new ATOM 0 HE1 TYR A 16 1.169 -3.225 -12.955 1.00 4.33 H new ATOM 0 HE2 TYR A 16 0.101 -0.399 -9.947 1.00 0.32 H new ATOM 0 HH TYR A 16 1.945 -0.239 -11.155 1.00 12.13 H new ATOM 258 N LYS A 17 -4.916 -1.736 -10.366 1.00 33.00 N ATOM 259 CA LYS A 17 -5.276 -0.341 -10.139 1.00 73.41 C ATOM 260 C LYS A 17 -4.224 0.360 -9.286 1.00 14.21 C ATOM 261 O LYS A 17 -3.915 -0.080 -8.180 1.00 11.35 O ATOM 262 CB LYS A 17 -6.644 -0.251 -9.458 1.00 41.43 C ATOM 263 CG LYS A 17 -7.810 -0.477 -10.404 1.00 75.42 C ATOM 264 CD LYS A 17 -9.130 -0.553 -9.654 1.00 62.32 C ATOM 265 CE LYS A 17 -9.648 -1.981 -9.581 1.00 71.43 C ATOM 266 NZ LYS A 17 -10.700 -2.137 -8.539 1.00 32.11 N ATOM 0 H LYS A 17 -5.173 -2.366 -9.606 1.00 33.00 H new ATOM 0 HA LYS A 17 -5.325 0.158 -11.107 1.00 73.41 H new ATOM 0 HB2 LYS A 17 -6.690 -0.987 -8.655 1.00 41.43 H new ATOM 0 HB3 LYS A 17 -6.747 0.731 -8.996 1.00 41.43 H new ATOM 0 HG2 LYS A 17 -7.851 0.333 -11.133 1.00 75.42 H new ATOM 0 HG3 LYS A 17 -7.654 -1.400 -10.962 1.00 75.42 H new ATOM 0 HD2 LYS A 17 -9.000 -0.160 -8.646 1.00 62.32 H new ATOM 0 HD3 LYS A 17 -9.868 0.078 -10.149 1.00 62.32 H new ATOM 0 HE2 LYS A 17 -10.052 -2.271 -10.551 1.00 71.43 H new ATOM 0 HE3 LYS A 17 -8.820 -2.657 -9.366 1.00 71.43 H new ATOM 0 HZ1 LYS A 17 -11.027 -3.124 -8.521 1.00 32.11 H new ATOM 0 HZ2 LYS A 17 -10.308 -1.885 -7.609 1.00 32.11 H new ATOM 0 HZ3 LYS A 17 -11.501 -1.511 -8.758 1.00 32.11 H new ATOM 280 N ASN A 18 -3.679 1.454 -9.808 1.00 13.32 N ATOM 281 CA ASN A 18 -2.663 2.217 -9.093 1.00 4.21 C ATOM 282 C ASN A 18 -3.292 3.061 -7.988 1.00 60.33 C ATOM 283 O ASN A 18 -4.480 2.930 -7.694 1.00 53.11 O ATOM 284 CB ASN A 18 -1.895 3.118 -10.063 1.00 22.41 C ATOM 285 CG ASN A 18 -2.629 4.412 -10.354 1.00 2.30 C ATOM 286 OD1 ASN A 18 -2.228 5.482 -9.896 1.00 13.43 O ATOM 287 ND2 ASN A 18 -3.710 4.320 -11.119 1.00 50.05 N ATOM 0 H ASN A 18 -3.924 1.832 -10.723 1.00 13.32 H new ATOM 0 HA ASN A 18 -1.970 1.511 -8.636 1.00 4.21 H new ATOM 0 HB2 ASN A 18 -0.915 3.346 -9.644 1.00 22.41 H new ATOM 0 HB3 ASN A 18 -1.726 2.581 -10.997 1.00 22.41 H new ATOM 0 HD21 ASN A 18 -4.245 5.158 -11.349 1.00 50.05 H new ATOM 0 HD22 ASN A 18 -4.006 3.412 -11.477 1.00 50.05 H new ATOM 294 N ASP A 19 -2.487 3.926 -7.381 1.00 73.11 N ATOM 295 CA ASP A 19 -2.965 4.793 -6.310 1.00 71.40 C ATOM 296 C ASP A 19 -4.168 5.611 -6.769 1.00 45.52 C ATOM 297 O ASP A 19 -5.096 5.855 -5.999 1.00 60.51 O ATOM 298 CB ASP A 19 -1.846 5.725 -5.842 1.00 34.42 C ATOM 299 CG ASP A 19 -1.517 6.794 -6.865 1.00 74.20 C ATOM 300 OD1 ASP A 19 -0.796 6.484 -7.836 1.00 63.03 O ATOM 301 OD2 ASP A 19 -1.982 7.940 -6.695 1.00 52.10 O ATOM 0 H ASP A 19 -1.501 4.046 -7.612 1.00 73.11 H new ATOM 0 HA ASP A 19 -3.274 4.163 -5.476 1.00 71.40 H new ATOM 0 HB2 ASP A 19 -2.140 6.200 -4.906 1.00 34.42 H new ATOM 0 HB3 ASP A 19 -0.952 5.138 -5.634 1.00 34.42 H new ATOM 306 N ALA A 20 -4.142 6.035 -8.029 1.00 34.03 N ATOM 307 CA ALA A 20 -5.230 6.826 -8.591 1.00 34.44 C ATOM 308 C ALA A 20 -6.496 5.989 -8.741 1.00 34.03 C ATOM 309 O ALA A 20 -7.577 6.520 -8.993 1.00 10.25 O ATOM 310 CB ALA A 20 -4.819 7.410 -9.934 1.00 31.20 C ATOM 0 H ALA A 20 -3.380 5.844 -8.679 1.00 34.03 H new ATOM 0 HA ALA A 20 -5.445 7.643 -7.903 1.00 34.44 H new ATOM 0 HB1 ALA A 20 -5.641 7.998 -10.342 1.00 31.20 H new ATOM 0 HB2 ALA A 20 -3.946 8.049 -9.801 1.00 31.20 H new ATOM 0 HB3 ALA A 20 -4.575 6.601 -10.623 1.00 31.20 H new ATOM 316 N GLY A 21 -6.355 4.676 -8.585 1.00 43.01 N ATOM 317 CA GLY A 21 -7.495 3.787 -8.708 1.00 12.11 C ATOM 318 C GLY A 21 -7.809 3.443 -10.150 1.00 54.13 C ATOM 319 O GLY A 21 -8.718 2.659 -10.426 1.00 65.21 O ATOM 0 H GLY A 21 -5.471 4.212 -8.376 1.00 43.01 H new ATOM 0 HA2 GLY A 21 -7.298 2.870 -8.154 1.00 12.11 H new ATOM 0 HA3 GLY A 21 -8.367 4.254 -8.251 1.00 12.11 H new ATOM 323 N LYS A 22 -7.058 4.032 -11.075 1.00 11.15 N ATOM 324 CA LYS A 22 -7.260 3.785 -12.497 1.00 74.22 C ATOM 325 C LYS A 22 -6.666 2.441 -12.906 1.00 33.43 C ATOM 326 O LYS A 22 -5.534 2.117 -12.546 1.00 72.23 O ATOM 327 CB LYS A 22 -6.629 4.906 -13.325 1.00 53.25 C ATOM 328 CG LYS A 22 -7.143 6.290 -12.968 1.00 35.13 C ATOM 329 CD LYS A 22 -6.134 7.369 -13.323 1.00 32.13 C ATOM 330 CE LYS A 22 -6.730 8.760 -13.175 1.00 15.34 C ATOM 331 NZ LYS A 22 -5.677 9.807 -13.073 1.00 45.51 N ATOM 0 H LYS A 22 -6.303 4.685 -10.864 1.00 11.15 H new ATOM 0 HA LYS A 22 -8.333 3.761 -12.687 1.00 74.22 H new ATOM 0 HB2 LYS A 22 -5.548 4.883 -13.188 1.00 53.25 H new ATOM 0 HB3 LYS A 22 -6.821 4.718 -14.381 1.00 53.25 H new ATOM 0 HG2 LYS A 22 -8.079 6.478 -13.494 1.00 35.13 H new ATOM 0 HG3 LYS A 22 -7.363 6.333 -11.901 1.00 35.13 H new ATOM 0 HD2 LYS A 22 -5.259 7.277 -12.679 1.00 32.13 H new ATOM 0 HD3 LYS A 22 -5.792 7.226 -14.348 1.00 32.13 H new ATOM 0 HE2 LYS A 22 -7.372 8.973 -14.030 1.00 15.34 H new ATOM 0 HE3 LYS A 22 -7.361 8.792 -12.287 1.00 15.34 H new ATOM 0 HZ1 LYS A 22 -6.124 10.741 -12.973 1.00 45.51 H new ATOM 0 HZ2 LYS A 22 -5.080 9.619 -12.243 1.00 45.51 H new ATOM 0 HZ3 LYS A 22 -5.090 9.794 -13.932 1.00 45.51 H new ATOM 345 N ASP A 23 -7.436 1.663 -13.659 1.00 51.21 N ATOM 346 CA ASP A 23 -6.985 0.355 -14.119 1.00 4.03 C ATOM 347 C ASP A 23 -5.818 0.494 -15.092 1.00 73.21 C ATOM 348 O ASP A 23 -5.938 1.140 -16.134 1.00 4.24 O ATOM 349 CB ASP A 23 -8.135 -0.400 -14.786 1.00 52.34 C ATOM 350 CG ASP A 23 -9.186 -0.851 -13.791 1.00 72.13 C ATOM 351 OD1 ASP A 23 -10.044 -0.024 -13.417 1.00 43.42 O ATOM 352 OD2 ASP A 23 -9.152 -2.032 -13.387 1.00 43.02 O ATOM 0 H ASP A 23 -8.376 1.916 -13.964 1.00 51.21 H new ATOM 0 HA ASP A 23 -6.646 -0.211 -13.251 1.00 4.03 H new ATOM 0 HB2 ASP A 23 -8.600 0.240 -15.536 1.00 52.34 H new ATOM 0 HB3 ASP A 23 -7.739 -1.269 -15.311 1.00 52.34 H new ATOM 357 N THR A 24 -4.689 -0.116 -14.746 1.00 30.42 N ATOM 358 CA THR A 24 -3.500 -0.059 -15.587 1.00 73.30 C ATOM 359 C THR A 24 -2.989 -1.458 -15.912 1.00 24.14 C ATOM 360 O THR A 24 -2.908 -2.319 -15.035 1.00 63.23 O ATOM 361 CB THR A 24 -2.372 0.744 -14.912 1.00 74.20 C ATOM 362 OG1 THR A 24 -2.911 1.915 -14.288 1.00 44.13 O ATOM 363 CG2 THR A 24 -1.312 1.145 -15.926 1.00 70.03 C ATOM 0 H THR A 24 -4.573 -0.656 -13.888 1.00 30.42 H new ATOM 0 HA THR A 24 -3.790 0.442 -16.510 1.00 73.30 H new ATOM 0 HB THR A 24 -1.907 0.111 -14.156 1.00 74.20 H new ATOM 0 HG1 THR A 24 -2.188 2.419 -13.860 1.00 44.13 H new ATOM 0 HG21 THR A 24 -0.526 1.711 -15.426 1.00 70.03 H new ATOM 0 HG22 THR A 24 -0.884 0.250 -16.378 1.00 70.03 H new ATOM 0 HG23 THR A 24 -1.766 1.762 -16.702 1.00 70.03 H new ATOM 371 N PHE A 25 -2.643 -1.678 -17.176 1.00 35.32 N ATOM 372 CA PHE A 25 -2.139 -2.974 -17.616 1.00 53.21 C ATOM 373 C PHE A 25 -0.667 -2.881 -18.006 1.00 51.41 C ATOM 374 O PHE A 25 -0.267 -1.986 -18.752 1.00 73.44 O ATOM 375 CB PHE A 25 -2.961 -3.489 -18.800 1.00 45.10 C ATOM 376 CG PHE A 25 -3.191 -2.455 -19.865 1.00 2.12 C ATOM 377 CD1 PHE A 25 -4.268 -1.587 -19.785 1.00 72.44 C ATOM 378 CD2 PHE A 25 -2.330 -2.351 -20.946 1.00 10.23 C ATOM 379 CE1 PHE A 25 -4.483 -0.635 -20.763 1.00 41.54 C ATOM 380 CE2 PHE A 25 -2.539 -1.400 -21.926 1.00 53.33 C ATOM 381 CZ PHE A 25 -3.618 -0.541 -21.836 1.00 23.42 C ATOM 0 H PHE A 25 -2.702 -0.976 -17.914 1.00 35.32 H new ATOM 0 HA PHE A 25 -2.233 -3.674 -16.786 1.00 53.21 H new ATOM 0 HB2 PHE A 25 -2.451 -4.346 -19.241 1.00 45.10 H new ATOM 0 HB3 PHE A 25 -3.925 -3.844 -18.436 1.00 45.10 H new ATOM 0 HD1 PHE A 25 -4.947 -1.655 -18.948 1.00 72.44 H new ATOM 0 HD2 PHE A 25 -1.486 -3.021 -21.023 1.00 10.23 H new ATOM 0 HE1 PHE A 25 -5.327 0.035 -20.689 1.00 41.54 H new ATOM 0 HE2 PHE A 25 -1.859 -1.328 -22.762 1.00 53.33 H new ATOM 0 HZ PHE A 25 -3.784 0.202 -22.602 1.00 23.42 H new ATOM 391 N ILE A 26 0.134 -3.810 -17.495 1.00 50.55 N ATOM 392 CA ILE A 26 1.561 -3.833 -17.790 1.00 42.23 C ATOM 393 C ILE A 26 2.009 -5.222 -18.233 1.00 13.14 C ATOM 394 O ILE A 26 1.516 -6.234 -17.733 1.00 3.44 O ATOM 395 CB ILE A 26 2.395 -3.401 -16.570 1.00 24.54 C ATOM 396 CG1 ILE A 26 3.848 -3.150 -16.980 1.00 53.52 C ATOM 397 CG2 ILE A 26 2.324 -4.459 -15.479 1.00 34.34 C ATOM 398 CD1 ILE A 26 4.370 -1.796 -16.553 1.00 40.44 C ATOM 0 H ILE A 26 -0.181 -4.556 -16.875 1.00 50.55 H new ATOM 0 HA ILE A 26 1.727 -3.125 -18.602 1.00 42.23 H new ATOM 0 HB ILE A 26 1.982 -2.472 -16.177 1.00 24.54 H new ATOM 0 HG12 ILE A 26 4.479 -3.927 -16.547 1.00 53.52 H new ATOM 0 HG13 ILE A 26 3.932 -3.238 -18.063 1.00 53.52 H new ATOM 0 HG21 ILE A 26 2.918 -4.139 -14.623 1.00 34.34 H new ATOM 0 HG22 ILE A 26 1.287 -4.595 -15.171 1.00 34.34 H new ATOM 0 HG23 ILE A 26 2.715 -5.402 -15.861 1.00 34.34 H new ATOM 0 HD11 ILE A 26 5.405 -1.687 -16.877 1.00 40.44 H new ATOM 0 HD12 ILE A 26 3.763 -1.012 -17.007 1.00 40.44 H new ATOM 0 HD13 ILE A 26 4.318 -1.712 -15.467 1.00 40.44 H new ATOM 410 N LYS A 27 2.947 -5.264 -19.172 1.00 51.15 N ATOM 411 CA LYS A 27 3.465 -6.528 -19.681 1.00 72.33 C ATOM 412 C LYS A 27 4.236 -7.276 -18.598 1.00 40.31 C ATOM 413 O LYS A 27 4.874 -6.663 -17.741 1.00 61.43 O ATOM 414 CB LYS A 27 4.371 -6.283 -20.890 1.00 12.41 C ATOM 415 CG LYS A 27 5.354 -5.142 -20.691 1.00 61.21 C ATOM 416 CD LYS A 27 4.941 -3.907 -21.473 1.00 14.41 C ATOM 417 CE LYS A 27 5.982 -2.804 -21.364 1.00 1.41 C ATOM 418 NZ LYS A 27 6.116 -2.040 -22.635 1.00 50.41 N ATOM 0 H LYS A 27 3.365 -4.436 -19.597 1.00 51.15 H new ATOM 0 HA LYS A 27 2.618 -7.141 -19.988 1.00 72.33 H new ATOM 0 HB2 LYS A 27 4.926 -7.195 -21.109 1.00 12.41 H new ATOM 0 HB3 LYS A 27 3.751 -6.070 -21.761 1.00 12.41 H new ATOM 0 HG2 LYS A 27 5.419 -4.897 -19.631 1.00 61.21 H new ATOM 0 HG3 LYS A 27 6.348 -5.458 -21.007 1.00 61.21 H new ATOM 0 HD2 LYS A 27 4.797 -4.170 -22.521 1.00 14.41 H new ATOM 0 HD3 LYS A 27 3.983 -3.543 -21.101 1.00 14.41 H new ATOM 0 HE2 LYS A 27 5.707 -2.123 -20.558 1.00 1.41 H new ATOM 0 HE3 LYS A 27 6.946 -3.239 -21.098 1.00 1.41 H new ATOM 0 HZ1 LYS A 27 6.835 -1.298 -22.520 1.00 50.41 H new ATOM 0 HZ2 LYS A 27 6.403 -2.685 -23.399 1.00 50.41 H new ATOM 0 HZ3 LYS A 27 5.203 -1.603 -22.876 1.00 50.41 H new ATOM 432 N CYS A 28 4.174 -8.602 -18.643 1.00 23.43 N ATOM 433 CA CYS A 28 4.867 -9.434 -17.666 1.00 44.13 C ATOM 434 C CYS A 28 6.149 -10.013 -18.258 1.00 23.45 C ATOM 435 O CYS A 28 6.313 -10.110 -19.474 1.00 3.11 O ATOM 436 CB CYS A 28 3.955 -10.566 -17.190 1.00 61.13 C ATOM 437 SG CYS A 28 2.975 -10.158 -15.710 1.00 74.41 S ATOM 0 H CYS A 28 3.651 -9.124 -19.346 1.00 23.43 H new ATOM 0 HA CYS A 28 5.131 -8.808 -16.814 1.00 44.13 H new ATOM 0 HB2 CYS A 28 3.276 -10.836 -17.999 1.00 61.13 H new ATOM 0 HB3 CYS A 28 4.564 -11.445 -16.978 1.00 61.13 H new ATOM 442 N PRO A 29 7.081 -10.409 -17.377 1.00 52.02 N ATOM 443 CA PRO A 29 8.364 -10.986 -17.788 1.00 71.42 C ATOM 444 C PRO A 29 8.206 -12.377 -18.395 1.00 3.52 C ATOM 445 O PRO A 29 7.441 -13.201 -17.894 1.00 53.33 O ATOM 446 CB PRO A 29 9.155 -11.061 -16.480 1.00 11.53 C ATOM 447 CG PRO A 29 8.117 -11.133 -15.413 1.00 62.44 C ATOM 448 CD PRO A 29 6.953 -10.324 -15.913 1.00 13.53 C ATOM 0 HA PRO A 29 8.849 -10.391 -18.562 1.00 71.42 H new ATOM 0 HB2 PRO A 29 9.805 -11.936 -16.460 1.00 11.53 H new ATOM 0 HB3 PRO A 29 9.794 -10.187 -16.353 1.00 11.53 H new ATOM 0 HG2 PRO A 29 7.822 -12.165 -15.224 1.00 62.44 H new ATOM 0 HG3 PRO A 29 8.495 -10.732 -14.473 1.00 62.44 H new ATOM 0 HD2 PRO A 29 6.003 -10.732 -15.569 1.00 13.53 H new ATOM 0 HD3 PRO A 29 7.002 -9.292 -15.565 1.00 13.53 H new ATOM 456 N LYS A 30 8.936 -12.632 -19.476 1.00 12.53 N ATOM 457 CA LYS A 30 8.879 -13.923 -20.151 1.00 10.35 C ATOM 458 C LYS A 30 9.947 -14.867 -19.608 1.00 72.54 C ATOM 459 O LYS A 30 10.169 -15.948 -20.155 1.00 22.11 O ATOM 460 CB LYS A 30 9.062 -13.741 -21.659 1.00 72.41 C ATOM 461 CG LYS A 30 7.757 -13.543 -22.410 1.00 53.34 C ATOM 462 CD LYS A 30 7.985 -13.448 -23.910 1.00 3.55 C ATOM 463 CE LYS A 30 7.818 -14.800 -24.586 1.00 13.52 C ATOM 464 NZ LYS A 30 8.941 -15.097 -25.516 1.00 65.34 N ATOM 0 H LYS A 30 9.574 -11.961 -19.903 1.00 12.53 H new ATOM 0 HA LYS A 30 7.900 -14.363 -19.961 1.00 10.35 H new ATOM 0 HB2 LYS A 30 9.708 -12.881 -21.837 1.00 72.41 H new ATOM 0 HB3 LYS A 30 9.575 -14.614 -22.062 1.00 72.41 H new ATOM 0 HG2 LYS A 30 7.083 -14.373 -22.195 1.00 53.34 H new ATOM 0 HG3 LYS A 30 7.267 -12.635 -22.057 1.00 53.34 H new ATOM 0 HD2 LYS A 30 7.282 -12.735 -24.341 1.00 3.55 H new ATOM 0 HD3 LYS A 30 8.987 -13.065 -24.103 1.00 3.55 H new ATOM 0 HE2 LYS A 30 7.759 -15.580 -23.827 1.00 13.52 H new ATOM 0 HE3 LYS A 30 6.877 -14.817 -25.136 1.00 13.52 H new ATOM 0 HZ1 LYS A 30 8.790 -16.027 -25.957 1.00 65.34 H new ATOM 0 HZ2 LYS A 30 8.982 -14.366 -26.255 1.00 65.34 H new ATOM 0 HZ3 LYS A 30 9.837 -15.106 -24.987 1.00 65.34 H new ATOM 478 N PHE A 31 10.604 -14.454 -18.530 1.00 11.11 N ATOM 479 CA PHE A 31 11.648 -15.264 -17.913 1.00 41.15 C ATOM 480 C PHE A 31 11.042 -16.381 -17.068 1.00 44.41 C ATOM 481 O PHE A 31 9.979 -16.214 -16.470 1.00 60.25 O ATOM 482 CB PHE A 31 12.557 -14.389 -17.048 1.00 21.24 C ATOM 483 CG PHE A 31 13.333 -13.370 -17.832 1.00 60.22 C ATOM 484 CD1 PHE A 31 14.422 -13.750 -18.601 1.00 35.14 C ATOM 485 CD2 PHE A 31 12.974 -12.032 -17.801 1.00 21.32 C ATOM 486 CE1 PHE A 31 15.137 -12.815 -19.324 1.00 45.02 C ATOM 487 CE2 PHE A 31 13.686 -11.093 -18.523 1.00 11.25 C ATOM 488 CZ PHE A 31 14.770 -11.484 -19.284 1.00 74.41 C ATOM 0 H PHE A 31 10.432 -13.563 -18.065 1.00 11.11 H new ATOM 0 HA PHE A 31 12.241 -15.716 -18.708 1.00 41.15 H new ATOM 0 HB2 PHE A 31 11.951 -13.876 -16.301 1.00 21.24 H new ATOM 0 HB3 PHE A 31 13.255 -15.028 -16.507 1.00 21.24 H new ATOM 0 HD1 PHE A 31 14.715 -14.789 -18.635 1.00 35.14 H new ATOM 0 HD2 PHE A 31 12.129 -11.720 -17.206 1.00 21.32 H new ATOM 0 HE1 PHE A 31 15.983 -13.125 -19.920 1.00 45.02 H new ATOM 0 HE2 PHE A 31 13.395 -10.053 -18.492 1.00 11.25 H new ATOM 0 HZ PHE A 31 15.329 -10.751 -19.846 1.00 74.41 H new ATOM 498 N ASP A 32 11.727 -17.518 -17.024 1.00 33.30 N ATOM 499 CA ASP A 32 11.258 -18.663 -16.252 1.00 73.21 C ATOM 500 C ASP A 32 11.126 -18.306 -14.775 1.00 4.41 C ATOM 501 O ASP A 32 10.436 -18.989 -14.020 1.00 54.41 O ATOM 502 CB ASP A 32 12.214 -19.845 -16.420 1.00 73.15 C ATOM 503 CG ASP A 32 11.679 -20.890 -17.380 1.00 20.12 C ATOM 504 OD1 ASP A 32 10.769 -21.648 -16.984 1.00 25.31 O ATOM 505 OD2 ASP A 32 12.171 -20.950 -18.526 1.00 72.44 O ATOM 0 H ASP A 32 12.609 -17.672 -17.514 1.00 33.30 H new ATOM 0 HA ASP A 32 10.275 -18.945 -16.628 1.00 73.21 H new ATOM 0 HB2 ASP A 32 13.176 -19.482 -16.782 1.00 73.15 H new ATOM 0 HB3 ASP A 32 12.392 -20.306 -15.448 1.00 73.15 H new ATOM 510 N ASN A 33 11.795 -17.231 -14.370 1.00 3.03 N ATOM 511 CA ASN A 33 11.755 -16.784 -12.982 1.00 54.42 C ATOM 512 C ASN A 33 10.385 -16.207 -12.636 1.00 70.34 C ATOM 513 O ASN A 33 9.926 -16.307 -11.498 1.00 44.41 O ATOM 514 CB ASN A 33 12.840 -15.735 -12.731 1.00 11.13 C ATOM 515 CG ASN A 33 12.691 -15.062 -11.380 1.00 5.31 C ATOM 516 OD1 ASN A 33 12.744 -13.836 -11.276 1.00 35.13 O ATOM 517 ND2 ASN A 33 12.506 -15.863 -10.337 1.00 53.41 N ATOM 0 H ASN A 33 12.371 -16.654 -14.983 1.00 3.03 H new ATOM 0 HA ASN A 33 11.939 -17.647 -12.343 1.00 54.42 H new ATOM 0 HB2 ASN A 33 13.820 -16.208 -12.792 1.00 11.13 H new ATOM 0 HB3 ASN A 33 12.801 -14.980 -13.516 1.00 11.13 H new ATOM 0 HD21 ASN A 33 12.401 -15.468 -9.403 1.00 53.41 H new ATOM 0 HD22 ASN A 33 12.469 -16.874 -10.470 1.00 53.41 H new ATOM 524 N LYS A 34 9.736 -15.605 -13.627 1.00 14.33 N ATOM 525 CA LYS A 34 8.417 -15.013 -13.430 1.00 24.52 C ATOM 526 C LYS A 34 7.656 -14.931 -14.749 1.00 13.23 C ATOM 527 O LYS A 34 8.144 -14.362 -15.725 1.00 64.45 O ATOM 528 CB LYS A 34 8.548 -13.618 -12.816 1.00 2.22 C ATOM 529 CG LYS A 34 8.063 -13.537 -11.379 1.00 33.51 C ATOM 530 CD LYS A 34 8.822 -12.483 -10.592 1.00 2.22 C ATOM 531 CE LYS A 34 10.009 -13.085 -9.854 1.00 53.44 C ATOM 532 NZ LYS A 34 10.946 -12.037 -9.363 1.00 52.20 N ATOM 0 H LYS A 34 10.102 -15.514 -14.575 1.00 14.33 H new ATOM 0 HA LYS A 34 7.857 -15.652 -12.747 1.00 24.52 H new ATOM 0 HB2 LYS A 34 9.593 -13.310 -12.856 1.00 2.22 H new ATOM 0 HB3 LYS A 34 7.983 -12.909 -13.422 1.00 2.22 H new ATOM 0 HG2 LYS A 34 6.998 -13.305 -11.366 1.00 33.51 H new ATOM 0 HG3 LYS A 34 8.183 -14.508 -10.898 1.00 33.51 H new ATOM 0 HD2 LYS A 34 9.171 -11.703 -11.269 1.00 2.22 H new ATOM 0 HD3 LYS A 34 8.151 -12.008 -9.877 1.00 2.22 H new ATOM 0 HE2 LYS A 34 9.651 -13.676 -9.011 1.00 53.44 H new ATOM 0 HE3 LYS A 34 10.542 -13.766 -10.517 1.00 53.44 H new ATOM 0 HZ1 LYS A 34 11.884 -12.184 -9.787 1.00 52.20 H new ATOM 0 HZ2 LYS A 34 10.588 -11.098 -9.631 1.00 52.20 H new ATOM 0 HZ3 LYS A 34 11.021 -12.096 -8.327 1.00 52.20 H new ATOM 546 N LYS A 35 6.455 -15.500 -14.770 1.00 63.11 N ATOM 547 CA LYS A 35 5.624 -15.489 -15.968 1.00 12.21 C ATOM 548 C LYS A 35 4.197 -15.918 -15.643 1.00 74.25 C ATOM 549 O LYS A 35 3.878 -16.233 -14.497 1.00 34.05 O ATOM 550 CB LYS A 35 6.216 -16.414 -17.034 1.00 2.34 C ATOM 551 CG LYS A 35 6.108 -17.889 -16.687 1.00 41.41 C ATOM 552 CD LYS A 35 6.540 -18.767 -17.849 1.00 75.42 C ATOM 553 CE LYS A 35 7.844 -19.489 -17.548 1.00 21.12 C ATOM 554 NZ LYS A 35 7.892 -20.836 -18.182 1.00 2.23 N ATOM 0 H LYS A 35 6.036 -15.975 -13.970 1.00 63.11 H new ATOM 0 HA LYS A 35 5.600 -14.470 -16.354 1.00 12.21 H new ATOM 0 HB2 LYS A 35 5.708 -16.234 -17.982 1.00 2.34 H new ATOM 0 HB3 LYS A 35 7.266 -16.160 -17.181 1.00 2.34 H new ATOM 0 HG2 LYS A 35 6.727 -18.105 -15.816 1.00 41.41 H new ATOM 0 HG3 LYS A 35 5.080 -18.125 -16.414 1.00 41.41 H new ATOM 0 HD2 LYS A 35 5.760 -19.497 -18.064 1.00 75.42 H new ATOM 0 HD3 LYS A 35 6.660 -18.156 -18.743 1.00 75.42 H new ATOM 0 HE2 LYS A 35 8.682 -18.890 -17.905 1.00 21.12 H new ATOM 0 HE3 LYS A 35 7.962 -19.591 -16.469 1.00 21.12 H new ATOM 0 HZ1 LYS A 35 8.782 -21.309 -17.925 1.00 2.23 H new ATOM 0 HZ2 LYS A 35 7.088 -21.406 -17.848 1.00 2.23 H new ATOM 0 HZ3 LYS A 35 7.839 -20.735 -19.216 1.00 2.23 H new ATOM 568 N CYS A 36 3.342 -15.930 -16.661 1.00 35.15 N ATOM 569 CA CYS A 36 1.948 -16.322 -16.484 1.00 44.15 C ATOM 570 C CYS A 36 1.748 -17.792 -16.839 1.00 71.52 C ATOM 571 O CYS A 36 2.001 -18.211 -17.970 1.00 12.34 O ATOM 572 CB CYS A 36 1.038 -15.448 -17.350 1.00 31.42 C ATOM 573 SG CYS A 36 0.952 -13.708 -16.817 1.00 72.44 S ATOM 0 H CYS A 36 3.590 -15.673 -17.616 1.00 35.15 H new ATOM 0 HA CYS A 36 1.686 -16.181 -15.435 1.00 44.15 H new ATOM 0 HB2 CYS A 36 1.391 -15.484 -18.381 1.00 31.42 H new ATOM 0 HB3 CYS A 36 0.033 -15.869 -17.342 1.00 31.42 H new ATOM 578 N THR A 37 1.291 -18.574 -15.865 1.00 41.32 N ATOM 579 CA THR A 37 1.057 -19.997 -16.073 1.00 62.02 C ATOM 580 C THR A 37 -0.407 -20.272 -16.396 1.00 31.23 C ATOM 581 O THR A 37 -0.762 -21.366 -16.835 1.00 70.13 O ATOM 582 CB THR A 37 1.462 -20.820 -14.835 1.00 51.44 C ATOM 583 OG1 THR A 37 1.074 -22.187 -15.008 1.00 34.14 O ATOM 584 CG2 THR A 37 0.816 -20.258 -13.578 1.00 31.33 C ATOM 0 H THR A 37 1.076 -18.245 -14.924 1.00 41.32 H new ATOM 0 HA THR A 37 1.675 -20.299 -16.918 1.00 62.02 H new ATOM 0 HB THR A 37 2.545 -20.762 -14.724 1.00 51.44 H new ATOM 0 HG1 THR A 37 0.388 -22.247 -15.705 1.00 34.14 H new ATOM 0 HG21 THR A 37 1.116 -20.855 -12.717 1.00 31.33 H new ATOM 0 HG22 THR A 37 1.137 -19.226 -13.434 1.00 31.33 H new ATOM 0 HG23 THR A 37 -0.269 -20.290 -13.681 1.00 31.33 H new ATOM 592 N LYS A 38 -1.255 -19.273 -16.175 1.00 45.13 N ATOM 593 CA LYS A 38 -2.681 -19.406 -16.444 1.00 54.41 C ATOM 594 C LYS A 38 -3.289 -18.062 -16.833 1.00 12.32 C ATOM 595 O LYS A 38 -2.673 -17.013 -16.642 1.00 52.15 O ATOM 596 CB LYS A 38 -3.402 -19.968 -15.217 1.00 15.41 C ATOM 597 CG LYS A 38 -4.337 -21.122 -15.536 1.00 4.01 C ATOM 598 CD LYS A 38 -3.780 -22.444 -15.035 1.00 35.32 C ATOM 599 CE LYS A 38 -3.952 -22.587 -13.530 1.00 41.32 C ATOM 600 NZ LYS A 38 -3.521 -23.928 -13.047 1.00 52.13 N ATOM 0 H LYS A 38 -0.978 -18.362 -15.810 1.00 45.13 H new ATOM 0 HA LYS A 38 -2.805 -20.096 -17.279 1.00 54.41 H new ATOM 0 HB2 LYS A 38 -2.660 -20.302 -14.492 1.00 15.41 H new ATOM 0 HB3 LYS A 38 -3.973 -19.169 -14.744 1.00 15.41 H new ATOM 0 HG2 LYS A 38 -5.310 -20.940 -15.080 1.00 4.01 H new ATOM 0 HG3 LYS A 38 -4.495 -21.177 -16.613 1.00 4.01 H new ATOM 0 HD2 LYS A 38 -4.285 -23.268 -15.540 1.00 35.32 H new ATOM 0 HD3 LYS A 38 -2.723 -22.514 -15.290 1.00 35.32 H new ATOM 0 HE2 LYS A 38 -3.373 -21.815 -13.023 1.00 41.32 H new ATOM 0 HE3 LYS A 38 -4.997 -22.425 -13.267 1.00 41.32 H new ATOM 0 HZ1 LYS A 38 -3.654 -23.985 -12.017 1.00 52.13 H new ATOM 0 HZ2 LYS A 38 -4.091 -24.664 -13.511 1.00 52.13 H new ATOM 0 HZ3 LYS A 38 -2.517 -24.073 -13.275 1.00 52.13 H new ATOM 614 N ASP A 39 -4.501 -18.101 -17.376 1.00 43.44 N ATOM 615 CA ASP A 39 -5.193 -16.885 -17.789 1.00 62.23 C ATOM 616 C ASP A 39 -6.121 -16.387 -16.686 1.00 73.10 C ATOM 617 O ASP A 39 -6.785 -17.177 -16.017 1.00 32.25 O ATOM 618 CB ASP A 39 -5.991 -17.137 -19.069 1.00 61.25 C ATOM 619 CG ASP A 39 -6.920 -18.329 -18.948 1.00 23.24 C ATOM 620 OD1 ASP A 39 -6.415 -19.469 -18.875 1.00 10.00 O ATOM 621 OD2 ASP A 39 -8.151 -18.122 -18.926 1.00 33.44 O ATOM 0 H ASP A 39 -5.024 -18.961 -17.540 1.00 43.44 H new ATOM 0 HA ASP A 39 -4.444 -16.117 -17.982 1.00 62.23 H new ATOM 0 HB2 ASP A 39 -6.575 -16.249 -19.311 1.00 61.25 H new ATOM 0 HB3 ASP A 39 -5.301 -17.300 -19.897 1.00 61.25 H new ATOM 626 N ASN A 40 -6.161 -15.071 -16.502 1.00 70.43 N ATOM 627 CA ASN A 40 -7.007 -14.468 -15.479 1.00 2.11 C ATOM 628 C ASN A 40 -6.423 -14.695 -14.088 1.00 14.04 C ATOM 629 O ASN A 40 -7.031 -14.331 -13.082 1.00 10.02 O ATOM 630 CB ASN A 40 -8.422 -15.045 -15.551 1.00 62.43 C ATOM 631 CG ASN A 40 -9.477 -14.046 -15.118 1.00 60.10 C ATOM 632 OD1 ASN A 40 -10.038 -13.323 -15.941 1.00 52.02 O ATOM 633 ND2 ASN A 40 -9.752 -14.002 -13.820 1.00 4.55 N ATOM 0 H ASN A 40 -5.618 -14.402 -17.048 1.00 70.43 H new ATOM 0 HA ASN A 40 -7.051 -13.395 -15.665 1.00 2.11 H new ATOM 0 HB2 ASN A 40 -8.628 -15.368 -16.572 1.00 62.43 H new ATOM 0 HB3 ASN A 40 -8.483 -15.931 -14.918 1.00 62.43 H new ATOM 0 HD21 ASN A 40 -10.453 -13.350 -13.469 1.00 4.55 H new ATOM 0 HD22 ASN A 40 -9.262 -14.620 -13.174 1.00 4.55 H new ATOM 640 N ASN A 41 -5.240 -15.299 -14.039 1.00 54.13 N ATOM 641 CA ASN A 41 -4.574 -15.575 -12.772 1.00 12.34 C ATOM 642 C ASN A 41 -4.347 -14.287 -11.985 1.00 62.32 C ATOM 643 O ASN A 41 -4.846 -13.224 -12.355 1.00 22.22 O ATOM 644 CB ASN A 41 -3.238 -16.279 -13.016 1.00 51.23 C ATOM 645 CG ASN A 41 -2.303 -15.459 -13.885 1.00 73.40 C ATOM 646 OD1 ASN A 41 -2.482 -14.251 -14.041 1.00 20.43 O ATOM 647 ND2 ASN A 41 -1.300 -16.115 -14.456 1.00 63.22 N ATOM 0 H ASN A 41 -4.723 -15.607 -14.863 1.00 54.13 H new ATOM 0 HA ASN A 41 -5.219 -16.229 -12.186 1.00 12.34 H new ATOM 0 HB2 ASN A 41 -2.757 -16.481 -12.059 1.00 51.23 H new ATOM 0 HB3 ASN A 41 -3.420 -17.243 -13.491 1.00 51.23 H new ATOM 0 HD21 ASN A 41 -0.639 -15.617 -15.052 1.00 63.22 H new ATOM 0 HD22 ASN A 41 -1.190 -17.117 -14.298 1.00 63.22 H new ATOM 654 N LYS A 42 -3.589 -14.390 -10.898 1.00 73.44 N ATOM 655 CA LYS A 42 -3.293 -13.235 -10.059 1.00 62.34 C ATOM 656 C LYS A 42 -1.793 -12.959 -10.024 1.00 52.13 C ATOM 657 O LYS A 42 -0.980 -13.872 -10.166 1.00 23.42 O ATOM 658 CB LYS A 42 -3.813 -13.464 -8.639 1.00 14.14 C ATOM 659 CG LYS A 42 -4.727 -12.358 -8.140 1.00 52.32 C ATOM 660 CD LYS A 42 -6.033 -12.321 -8.916 1.00 70.14 C ATOM 661 CE LYS A 42 -6.854 -13.581 -8.687 1.00 5.04 C ATOM 662 NZ LYS A 42 -8.224 -13.463 -9.258 1.00 4.51 N ATOM 0 H LYS A 42 -3.168 -15.262 -10.578 1.00 73.44 H new ATOM 0 HA LYS A 42 -3.795 -12.367 -10.488 1.00 62.34 H new ATOM 0 HB2 LYS A 42 -4.352 -14.411 -8.607 1.00 14.14 H new ATOM 0 HB3 LYS A 42 -2.965 -13.556 -7.961 1.00 14.14 H new ATOM 0 HG2 LYS A 42 -4.936 -12.508 -7.081 1.00 52.32 H new ATOM 0 HG3 LYS A 42 -4.221 -11.397 -8.232 1.00 52.32 H new ATOM 0 HD2 LYS A 42 -6.612 -11.448 -8.614 1.00 70.14 H new ATOM 0 HD3 LYS A 42 -5.822 -12.211 -9.980 1.00 70.14 H new ATOM 0 HE2 LYS A 42 -6.345 -14.433 -9.138 1.00 5.04 H new ATOM 0 HE3 LYS A 42 -6.922 -13.780 -7.618 1.00 5.04 H new ATOM 0 HZ1 LYS A 42 -8.751 -14.342 -9.081 1.00 4.51 H new ATOM 0 HZ2 LYS A 42 -8.719 -12.666 -8.810 1.00 4.51 H new ATOM 0 HZ3 LYS A 42 -8.160 -13.298 -10.283 1.00 4.51 H new ATOM 676 N CYS A 43 -1.434 -11.694 -9.834 1.00 4.05 N ATOM 677 CA CYS A 43 -0.032 -11.297 -9.779 1.00 1.15 C ATOM 678 C CYS A 43 0.200 -10.273 -8.671 1.00 42.34 C ATOM 679 O CYS A 43 -0.737 -9.853 -7.991 1.00 43.23 O ATOM 680 CB CYS A 43 0.409 -10.718 -11.124 1.00 61.24 C ATOM 681 SG CYS A 43 -0.310 -9.088 -11.504 1.00 71.24 S ATOM 0 H CYS A 43 -2.095 -10.926 -9.715 1.00 4.05 H new ATOM 0 HA CYS A 43 0.563 -12.184 -9.561 1.00 1.15 H new ATOM 0 HB2 CYS A 43 1.496 -10.635 -11.133 1.00 61.24 H new ATOM 0 HB3 CYS A 43 0.137 -11.417 -11.915 1.00 61.24 H new ATOM 686 N THR A 44 1.456 -9.873 -8.496 1.00 22.52 N ATOM 687 CA THR A 44 1.813 -8.900 -7.472 1.00 14.33 C ATOM 688 C THR A 44 2.726 -7.817 -8.036 1.00 73.42 C ATOM 689 O THR A 44 3.611 -8.097 -8.844 1.00 61.35 O ATOM 690 CB THR A 44 2.512 -9.573 -6.276 1.00 12.24 C ATOM 691 OG1 THR A 44 2.904 -10.905 -6.624 1.00 21.22 O ATOM 692 CG2 THR A 44 1.594 -9.610 -5.063 1.00 1.41 C ATOM 0 H THR A 44 2.243 -10.209 -9.051 1.00 22.52 H new ATOM 0 HA THR A 44 0.883 -8.446 -7.131 1.00 14.33 H new ATOM 0 HB THR A 44 3.397 -8.988 -6.025 1.00 12.24 H new ATOM 0 HG1 THR A 44 3.349 -11.325 -5.859 1.00 21.22 H new ATOM 0 HG21 THR A 44 2.110 -10.090 -4.231 1.00 1.41 H new ATOM 0 HG22 THR A 44 1.321 -8.593 -4.782 1.00 1.41 H new ATOM 0 HG23 THR A 44 0.693 -10.174 -5.305 1.00 1.41 H new ATOM 700 N VAL A 45 2.505 -6.579 -7.605 1.00 23.52 N ATOM 701 CA VAL A 45 3.310 -5.455 -8.066 1.00 50.41 C ATOM 702 C VAL A 45 3.535 -4.445 -6.947 1.00 4.53 C ATOM 703 O VAL A 45 2.584 -3.953 -6.339 1.00 41.35 O ATOM 704 CB VAL A 45 2.647 -4.742 -9.260 1.00 15.03 C ATOM 705 CG1 VAL A 45 3.489 -3.558 -9.710 1.00 73.23 C ATOM 706 CG2 VAL A 45 2.426 -5.717 -10.406 1.00 70.12 C ATOM 0 H VAL A 45 1.775 -6.330 -6.937 1.00 23.52 H new ATOM 0 HA VAL A 45 4.270 -5.862 -8.383 1.00 50.41 H new ATOM 0 HB VAL A 45 1.675 -4.365 -8.942 1.00 15.03 H new ATOM 0 HG11 VAL A 45 3.005 -3.067 -10.554 1.00 73.23 H new ATOM 0 HG12 VAL A 45 3.590 -2.850 -8.888 1.00 73.23 H new ATOM 0 HG13 VAL A 45 4.477 -3.907 -10.011 1.00 73.23 H new ATOM 0 HG21 VAL A 45 1.957 -5.197 -11.241 1.00 70.12 H new ATOM 0 HG22 VAL A 45 3.384 -6.126 -10.726 1.00 70.12 H new ATOM 0 HG23 VAL A 45 1.778 -6.528 -10.074 1.00 70.12 H new ATOM 716 N ASP A 46 4.800 -4.139 -6.679 1.00 62.10 N ATOM 717 CA ASP A 46 5.152 -3.186 -5.633 1.00 13.30 C ATOM 718 C ASP A 46 5.882 -1.981 -6.219 1.00 21.24 C ATOM 719 O ASP A 46 6.812 -2.130 -7.013 1.00 34.34 O ATOM 720 CB ASP A 46 6.023 -3.859 -4.571 1.00 74.12 C ATOM 721 CG ASP A 46 6.064 -3.075 -3.274 1.00 61.22 C ATOM 722 OD1 ASP A 46 5.925 -1.835 -3.325 1.00 45.14 O ATOM 723 OD2 ASP A 46 6.234 -3.702 -2.208 1.00 5.02 O ATOM 0 H ASP A 46 5.599 -4.538 -7.172 1.00 62.10 H new ATOM 0 HA ASP A 46 4.230 -2.838 -5.167 1.00 13.30 H new ATOM 0 HB2 ASP A 46 5.642 -4.861 -4.374 1.00 74.12 H new ATOM 0 HB3 ASP A 46 7.037 -3.973 -4.955 1.00 74.12 H new ATOM 728 N THR A 47 5.455 -0.786 -5.822 1.00 72.25 N ATOM 729 CA THR A 47 6.066 0.444 -6.309 1.00 71.03 C ATOM 730 C THR A 47 7.296 0.810 -5.487 1.00 21.32 C ATOM 731 O THR A 47 8.207 1.477 -5.978 1.00 10.25 O ATOM 732 CB THR A 47 5.070 1.619 -6.273 1.00 22.33 C ATOM 733 OG1 THR A 47 3.861 1.216 -5.620 1.00 71.43 O ATOM 734 CG2 THR A 47 4.756 2.105 -7.679 1.00 54.52 C ATOM 0 H THR A 47 4.688 -0.644 -5.164 1.00 72.25 H new ATOM 0 HA THR A 47 6.364 0.261 -7.342 1.00 71.03 H new ATOM 0 HB THR A 47 5.527 2.438 -5.717 1.00 22.33 H new ATOM 0 HG1 THR A 47 4.025 1.119 -4.659 1.00 71.43 H new ATOM 0 HG21 THR A 47 4.051 2.935 -7.628 1.00 54.52 H new ATOM 0 HG22 THR A 47 5.674 2.438 -8.162 1.00 54.52 H new ATOM 0 HG23 THR A 47 4.317 1.291 -8.256 1.00 54.52 H new ATOM 742 N TYR A 48 7.317 0.368 -4.234 1.00 51.32 N ATOM 743 CA TYR A 48 8.436 0.651 -3.343 1.00 34.13 C ATOM 744 C TYR A 48 9.664 -0.164 -3.735 1.00 2.01 C ATOM 745 O TYR A 48 10.776 0.359 -3.797 1.00 52.30 O ATOM 746 CB TYR A 48 8.050 0.347 -1.894 1.00 13.40 C ATOM 747 CG TYR A 48 8.053 1.566 -0.999 1.00 21.35 C ATOM 748 CD1 TYR A 48 7.025 2.499 -1.058 1.00 71.40 C ATOM 749 CD2 TYR A 48 9.084 1.785 -0.094 1.00 25.32 C ATOM 750 CE1 TYR A 48 7.024 3.614 -0.242 1.00 70.44 C ATOM 751 CE2 TYR A 48 9.091 2.896 0.727 1.00 40.03 C ATOM 752 CZ TYR A 48 8.059 3.808 0.649 1.00 71.45 C ATOM 753 OH TYR A 48 8.062 4.917 1.463 1.00 25.42 O ATOM 0 H TYR A 48 6.572 -0.187 -3.813 1.00 51.32 H new ATOM 0 HA TYR A 48 8.681 1.709 -3.433 1.00 34.13 H new ATOM 0 HB2 TYR A 48 7.057 -0.103 -1.878 1.00 13.40 H new ATOM 0 HB3 TYR A 48 8.742 -0.392 -1.490 1.00 13.40 H new ATOM 0 HD1 TYR A 48 6.213 2.350 -1.754 1.00 71.40 H new ATOM 0 HD2 TYR A 48 9.895 1.074 -0.031 1.00 25.32 H new ATOM 0 HE1 TYR A 48 6.217 4.330 -0.301 1.00 70.44 H new ATOM 0 HE2 TYR A 48 9.900 3.050 1.426 1.00 40.03 H new ATOM 0 HH TYR A 48 8.860 4.903 2.032 1.00 25.42 H new ATOM 763 N ASN A 49 9.454 -1.449 -3.999 1.00 72.43 N ATOM 764 CA ASN A 49 10.543 -2.338 -4.386 1.00 63.50 C ATOM 765 C ASN A 49 10.595 -2.509 -5.901 1.00 52.33 C ATOM 766 O ASN A 49 11.502 -3.146 -6.434 1.00 22.22 O ATOM 767 CB ASN A 49 10.379 -3.703 -3.714 1.00 0.15 C ATOM 768 CG ASN A 49 9.996 -3.584 -2.251 1.00 72.31 C ATOM 769 OD1 ASN A 49 10.588 -2.805 -1.504 1.00 73.00 O ATOM 770 ND2 ASN A 49 9.001 -4.360 -1.836 1.00 11.44 N ATOM 0 H ASN A 49 8.539 -1.898 -3.952 1.00 72.43 H new ATOM 0 HA ASN A 49 11.479 -1.888 -4.056 1.00 63.50 H new ATOM 0 HB2 ASN A 49 9.616 -4.275 -4.241 1.00 0.15 H new ATOM 0 HB3 ASN A 49 11.311 -4.261 -3.799 1.00 0.15 H new ATOM 0 HD21 ASN A 49 8.699 -4.325 -0.862 1.00 11.44 H new ATOM 0 HD22 ASN A 49 8.539 -4.991 -2.491 1.00 11.44 H new ATOM 777 N ASN A 50 9.614 -1.933 -6.590 1.00 22.34 N ATOM 778 CA ASN A 50 9.547 -2.021 -8.044 1.00 25.12 C ATOM 779 C ASN A 50 9.639 -3.472 -8.506 1.00 21.21 C ATOM 780 O ASN A 50 10.118 -3.756 -9.604 1.00 10.45 O ATOM 781 CB ASN A 50 10.673 -1.200 -8.677 1.00 73.32 C ATOM 782 CG ASN A 50 10.510 0.288 -8.435 1.00 31.21 C ATOM 783 OD1 ASN A 50 9.863 0.988 -9.214 1.00 32.30 O ATOM 784 ND2 ASN A 50 11.098 0.778 -7.350 1.00 44.32 N ATOM 0 H ASN A 50 8.855 -1.401 -6.164 1.00 22.34 H new ATOM 0 HA ASN A 50 8.587 -1.617 -8.364 1.00 25.12 H new ATOM 0 HB2 ASN A 50 11.630 -1.528 -8.272 1.00 73.32 H new ATOM 0 HB3 ASN A 50 10.699 -1.390 -9.750 1.00 73.32 H new ATOM 0 HD21 ASN A 50 11.023 1.772 -7.134 1.00 44.32 H new ATOM 0 HD22 ASN A 50 11.624 0.160 -6.732 1.00 44.32 H new ATOM 791 N ALA A 51 9.176 -4.387 -7.660 1.00 61.05 N ATOM 792 CA ALA A 51 9.203 -5.808 -7.983 1.00 21.32 C ATOM 793 C ALA A 51 7.828 -6.297 -8.426 1.00 22.03 C ATOM 794 O ALA A 51 6.804 -5.862 -7.899 1.00 41.42 O ATOM 795 CB ALA A 51 9.691 -6.612 -6.786 1.00 52.32 C ATOM 0 H ALA A 51 8.778 -4.169 -6.746 1.00 61.05 H new ATOM 0 HA ALA A 51 9.896 -5.954 -8.812 1.00 21.32 H new ATOM 0 HB1 ALA A 51 9.706 -7.672 -7.041 1.00 52.32 H new ATOM 0 HB2 ALA A 51 10.697 -6.289 -6.516 1.00 52.32 H new ATOM 0 HB3 ALA A 51 9.020 -6.452 -5.942 1.00 52.32 H new ATOM 801 N VAL A 52 7.812 -7.204 -9.397 1.00 63.03 N ATOM 802 CA VAL A 52 6.563 -7.752 -9.911 1.00 33.31 C ATOM 803 C VAL A 52 6.631 -9.272 -10.015 1.00 40.21 C ATOM 804 O VAL A 52 7.673 -9.835 -10.352 1.00 12.13 O ATOM 805 CB VAL A 52 6.220 -7.169 -11.295 1.00 4.34 C ATOM 806 CG1 VAL A 52 4.937 -7.784 -11.831 1.00 52.30 C ATOM 807 CG2 VAL A 52 6.105 -5.654 -11.220 1.00 12.34 C ATOM 0 H VAL A 52 8.651 -7.575 -9.844 1.00 63.03 H new ATOM 0 HA VAL A 52 5.782 -7.473 -9.204 1.00 33.31 H new ATOM 0 HB VAL A 52 7.027 -7.416 -11.985 1.00 4.34 H new ATOM 0 HG11 VAL A 52 4.711 -7.360 -12.809 1.00 52.30 H new ATOM 0 HG12 VAL A 52 5.062 -8.863 -11.923 1.00 52.30 H new ATOM 0 HG13 VAL A 52 4.117 -7.571 -11.145 1.00 52.30 H new ATOM 0 HG21 VAL A 52 5.862 -5.258 -12.206 1.00 12.34 H new ATOM 0 HG22 VAL A 52 5.318 -5.383 -10.517 1.00 12.34 H new ATOM 0 HG23 VAL A 52 7.053 -5.233 -10.883 1.00 12.34 H new ATOM 817 N ASP A 53 5.514 -9.930 -9.725 1.00 2.22 N ATOM 818 CA ASP A 53 5.446 -11.385 -9.787 1.00 61.22 C ATOM 819 C ASP A 53 4.125 -11.842 -10.399 1.00 43.41 C ATOM 820 O ASP A 53 3.055 -11.606 -9.838 1.00 73.22 O ATOM 821 CB ASP A 53 5.609 -11.985 -8.390 1.00 23.12 C ATOM 822 CG ASP A 53 6.525 -13.193 -8.382 1.00 21.32 C ATOM 823 OD1 ASP A 53 6.139 -14.234 -8.954 1.00 23.50 O ATOM 824 OD2 ASP A 53 7.628 -13.098 -7.804 1.00 51.42 O ATOM 0 H ASP A 53 4.643 -9.479 -9.445 1.00 2.22 H new ATOM 0 HA ASP A 53 6.260 -11.735 -10.421 1.00 61.22 H new ATOM 0 HB2 ASP A 53 6.007 -11.226 -7.716 1.00 23.12 H new ATOM 0 HB3 ASP A 53 4.631 -12.272 -8.005 1.00 23.12 H new ATOM 829 N CYS A 54 4.208 -12.495 -11.553 1.00 43.23 N ATOM 830 CA CYS A 54 3.021 -12.983 -12.243 1.00 74.33 C ATOM 831 C CYS A 54 2.853 -14.486 -12.040 1.00 60.31 C ATOM 832 O CYS A 54 3.822 -15.244 -12.103 1.00 53.43 O ATOM 833 CB CYS A 54 3.107 -12.666 -13.737 1.00 55.05 C ATOM 834 SG CYS A 54 3.661 -10.971 -14.107 1.00 3.41 S ATOM 0 H CYS A 54 5.086 -12.698 -12.030 1.00 43.23 H new ATOM 0 HA CYS A 54 2.153 -12.478 -11.821 1.00 74.33 H new ATOM 0 HB2 CYS A 54 3.791 -13.371 -14.208 1.00 55.05 H new ATOM 0 HB3 CYS A 54 2.127 -12.823 -14.188 1.00 55.05 H new ATOM 839 N ASP A 55 1.618 -14.910 -11.796 1.00 70.52 N ATOM 840 CA ASP A 55 1.322 -16.323 -11.585 1.00 3.20 C ATOM 841 C ASP A 55 1.890 -17.172 -12.718 1.00 74.12 C ATOM 842 O ASP A 55 2.946 -17.790 -12.575 1.00 53.13 O ATOM 843 CB ASP A 55 -0.188 -16.539 -11.476 1.00 1.12 C ATOM 844 CG ASP A 55 -0.602 -17.052 -10.111 1.00 31.13 C ATOM 845 OD1 ASP A 55 -0.068 -16.548 -9.100 1.00 32.40 O ATOM 846 OD2 ASP A 55 -1.461 -17.957 -10.053 1.00 4.31 O ATOM 0 H ASP A 55 0.806 -14.296 -11.739 1.00 70.52 H new ATOM 0 HA ASP A 55 1.793 -16.632 -10.652 1.00 3.20 H new ATOM 0 HB2 ASP A 55 -0.702 -15.600 -11.679 1.00 1.12 H new ATOM 0 HB3 ASP A 55 -0.507 -17.248 -12.240 1.00 1.12 H new