USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 418 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 ASN : amide:sc= -1.55 K(o=-1.3,f=-3.1!) USER MOD Set 1.2: A 24 THR OG1 : rot 104:sc= 0.282 USER MOD Set 2.1: A 12 ASN : amide:sc= -3.12 K(o=-3.1,f=-3.7) USER MOD Set 2.2: A 35 LYS NZ :NH3+ -168:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 30: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 15 LYS NZ :NH3+ -116:sc= -1.18 (180deg=-5.83!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0025) 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= -0.216 X(o=-0.22,f=-0.054) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.19) USER MOD Single : A 41 ASN : amide:sc= 0.134 X(o=0.13,f=0.63) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.646 USER MOD Single : A 47 THR OG1 : rot -38:sc= 0.471 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -3.11! K(o=-3.1!,f=-1.4) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.387 2.220 -2.470 1.00 71.04 N ATOM 2 CA ALA A 1 2.275 1.010 -1.666 1.00 23.31 C ATOM 3 C ALA A 1 3.530 0.151 -1.789 1.00 14.10 C ATOM 4 O ALA A 1 3.476 -0.979 -2.275 1.00 42.34 O ATOM 5 CB ALA A 1 1.046 0.214 -2.078 1.00 31.52 C ATOM 0 H1 ALA A 1 1.520 2.786 -2.368 1.00 71.04 H new ATOM 0 H2 ALA A 1 3.204 2.777 -2.147 1.00 71.04 H new ATOM 0 H3 ALA A 1 2.517 1.962 -3.469 1.00 71.04 H new ATOM 0 HA ALA A 1 2.169 1.306 -0.622 1.00 23.31 H new ATOM 0 HB1 ALA A 1 0.975 -0.687 -1.469 1.00 31.52 H new ATOM 0 HB2 ALA A 1 0.153 0.822 -1.932 1.00 31.52 H new ATOM 0 HB3 ALA A 1 1.128 -0.064 -3.129 1.00 31.52 H new ATOM 11 N LYS A 2 4.658 0.694 -1.346 1.00 4.20 N ATOM 12 CA LYS A 2 5.927 -0.022 -1.406 1.00 3.44 C ATOM 13 C LYS A 2 6.418 -0.377 -0.006 1.00 10.33 C ATOM 14 O LYS A 2 6.367 0.447 0.908 1.00 12.00 O ATOM 15 CB LYS A 2 6.980 0.823 -2.127 1.00 54.24 C ATOM 16 CG LYS A 2 7.054 2.256 -1.630 1.00 44.52 C ATOM 17 CD LYS A 2 8.489 2.680 -1.363 1.00 62.05 C ATOM 18 CE LYS A 2 9.076 3.436 -2.546 1.00 22.32 C ATOM 19 NZ LYS A 2 9.338 4.864 -2.216 1.00 44.01 N ATOM 0 H LYS A 2 4.720 1.628 -0.941 1.00 4.20 H new ATOM 0 HA LYS A 2 5.768 -0.946 -1.962 1.00 3.44 H new ATOM 0 HB2 LYS A 2 7.956 0.354 -2.005 1.00 54.24 H new ATOM 0 HB3 LYS A 2 6.761 0.828 -3.195 1.00 54.24 H new ATOM 0 HG2 LYS A 2 6.608 2.922 -2.369 1.00 44.52 H new ATOM 0 HG3 LYS A 2 6.468 2.356 -0.716 1.00 44.52 H new ATOM 0 HD2 LYS A 2 8.524 3.310 -0.474 1.00 62.05 H new ATOM 0 HD3 LYS A 2 9.097 1.800 -1.154 1.00 62.05 H new ATOM 0 HE2 LYS A 2 10.005 2.959 -2.857 1.00 22.32 H new ATOM 0 HE3 LYS A 2 8.390 3.378 -3.391 1.00 22.32 H new ATOM 0 HZ1 LYS A 2 9.737 5.345 -3.047 1.00 44.01 H new ATOM 0 HZ2 LYS A 2 8.447 5.326 -1.943 1.00 44.01 H new ATOM 0 HZ3 LYS A 2 10.013 4.920 -1.427 1.00 44.01 H new ATOM 33 N TYR A 3 6.894 -1.606 0.155 1.00 22.20 N ATOM 34 CA TYR A 3 7.393 -2.070 1.444 1.00 23.11 C ATOM 35 C TYR A 3 8.782 -1.504 1.726 1.00 32.43 C ATOM 36 O TYR A 3 9.724 -1.728 0.965 1.00 31.53 O ATOM 37 CB TYR A 3 7.437 -3.599 1.478 1.00 52.33 C ATOM 38 CG TYR A 3 6.142 -4.251 1.049 1.00 12.10 C ATOM 39 CD1 TYR A 3 5.002 -4.161 1.838 1.00 15.11 C ATOM 40 CD2 TYR A 3 6.058 -4.958 -0.144 1.00 45.21 C ATOM 41 CE1 TYR A 3 3.816 -4.756 1.451 1.00 42.41 C ATOM 42 CE2 TYR A 3 4.877 -5.554 -0.540 1.00 21.41 C ATOM 43 CZ TYR A 3 3.759 -5.451 0.261 1.00 11.20 C ATOM 44 OH TYR A 3 2.581 -6.045 -0.129 1.00 54.10 O ATOM 0 H TYR A 3 6.945 -2.299 -0.591 1.00 22.20 H new ATOM 0 HA TYR A 3 6.712 -1.716 2.217 1.00 23.11 H new ATOM 0 HB2 TYR A 3 8.241 -3.946 0.829 1.00 52.33 H new ATOM 0 HB3 TYR A 3 7.681 -3.925 2.489 1.00 52.33 H new ATOM 0 HD1 TYR A 3 5.043 -3.617 2.770 1.00 15.11 H new ATOM 0 HD2 TYR A 3 6.932 -5.043 -0.773 1.00 45.21 H new ATOM 0 HE1 TYR A 3 2.939 -4.677 2.077 1.00 42.41 H new ATOM 0 HE2 TYR A 3 4.829 -6.098 -1.472 1.00 21.41 H new ATOM 0 HH TYR A 3 1.824 -5.533 0.225 1.00 54.10 H new ATOM 54 N THR A 4 8.902 -0.769 2.827 1.00 14.13 N ATOM 55 CA THR A 4 10.173 -0.170 3.212 1.00 43.23 C ATOM 56 C THR A 4 10.869 -0.998 4.286 1.00 70.22 C ATOM 57 O THR A 4 10.243 -1.433 5.251 1.00 14.43 O ATOM 58 CB THR A 4 9.983 1.268 3.731 1.00 32.33 C ATOM 59 OG1 THR A 4 9.267 2.046 2.766 1.00 13.54 O ATOM 60 CG2 THR A 4 11.326 1.921 4.022 1.00 72.44 C ATOM 0 H THR A 4 8.133 -0.574 3.468 1.00 14.13 H new ATOM 0 HA THR A 4 10.794 -0.146 2.317 1.00 43.23 H new ATOM 0 HB THR A 4 9.411 1.224 4.658 1.00 32.33 H new ATOM 0 HG1 THR A 4 9.149 2.958 3.104 1.00 13.54 H new ATOM 0 HG21 THR A 4 11.166 2.935 4.387 1.00 72.44 H new ATOM 0 HG22 THR A 4 11.856 1.342 4.779 1.00 72.44 H new ATOM 0 HG23 THR A 4 11.920 1.954 3.109 1.00 72.44 H new ATOM 68 N GLY A 5 12.170 -1.213 4.111 1.00 35.22 N ATOM 69 CA GLY A 5 12.929 -1.989 5.074 1.00 10.24 C ATOM 70 C GLY A 5 14.416 -1.703 5.006 1.00 40.04 C ATOM 71 O GLY A 5 14.829 -0.612 4.612 1.00 50.11 O ATOM 0 H GLY A 5 12.711 -0.864 3.320 1.00 35.22 H new ATOM 0 HA2 GLY A 5 12.566 -1.771 6.078 1.00 10.24 H new ATOM 0 HA3 GLY A 5 12.758 -3.051 4.896 1.00 10.24 H new ATOM 75 N LYS A 6 15.224 -2.685 5.391 1.00 40.10 N ATOM 76 CA LYS A 6 16.674 -2.535 5.372 1.00 2.12 C ATOM 77 C LYS A 6 17.350 -3.835 4.950 1.00 23.42 C ATOM 78 O LYS A 6 16.797 -4.921 5.128 1.00 12.10 O ATOM 79 CB LYS A 6 17.181 -2.108 6.752 1.00 64.24 C ATOM 80 CG LYS A 6 16.321 -1.046 7.414 1.00 22.11 C ATOM 81 CD LYS A 6 15.224 -1.667 8.262 1.00 12.54 C ATOM 82 CE LYS A 6 14.906 -0.809 9.478 1.00 42.44 C ATOM 83 NZ LYS A 6 14.661 -1.635 10.692 1.00 62.44 N ATOM 0 H LYS A 6 14.899 -3.594 5.720 1.00 40.10 H new ATOM 0 HA LYS A 6 16.925 -1.763 4.644 1.00 2.12 H new ATOM 0 HB2 LYS A 6 17.226 -2.983 7.400 1.00 64.24 H new ATOM 0 HB3 LYS A 6 18.199 -1.731 6.655 1.00 64.24 H new ATOM 0 HG2 LYS A 6 16.946 -0.407 8.037 1.00 22.11 H new ATOM 0 HG3 LYS A 6 15.875 -0.409 6.650 1.00 22.11 H new ATOM 0 HD2 LYS A 6 14.325 -1.794 7.659 1.00 12.54 H new ATOM 0 HD3 LYS A 6 15.532 -2.661 8.587 1.00 12.54 H new ATOM 0 HE2 LYS A 6 15.733 -0.125 9.666 1.00 42.44 H new ATOM 0 HE3 LYS A 6 14.027 -0.198 9.271 1.00 42.44 H new ATOM 0 HZ1 LYS A 6 14.448 -1.013 11.498 1.00 62.44 H new ATOM 0 HZ2 LYS A 6 13.855 -2.271 10.523 1.00 62.44 H new ATOM 0 HZ3 LYS A 6 15.508 -2.199 10.905 1.00 62.44 H new ATOM 97 N CYS A 7 18.551 -3.719 4.392 1.00 55.01 N ATOM 98 CA CYS A 7 19.303 -4.885 3.946 1.00 62.04 C ATOM 99 C CYS A 7 20.499 -5.143 4.858 1.00 13.23 C ATOM 100 O CYS A 7 20.615 -4.550 5.932 1.00 74.14 O ATOM 101 CB CYS A 7 19.780 -4.689 2.505 1.00 22.41 C ATOM 102 SG CYS A 7 18.895 -3.380 1.600 1.00 11.41 S ATOM 0 H CYS A 7 19.024 -2.828 4.238 1.00 55.01 H new ATOM 0 HA CYS A 7 18.642 -5.751 3.989 1.00 62.04 H new ATOM 0 HB2 CYS A 7 20.844 -4.453 2.515 1.00 22.41 H new ATOM 0 HB3 CYS A 7 19.667 -5.629 1.965 1.00 22.41 H new ATOM 107 N THR A 8 21.387 -6.032 4.424 1.00 11.22 N ATOM 108 CA THR A 8 22.573 -6.369 5.201 1.00 32.31 C ATOM 109 C THR A 8 23.798 -6.505 4.304 1.00 53.01 C ATOM 110 O THR A 8 23.821 -7.326 3.386 1.00 15.34 O ATOM 111 CB THR A 8 22.377 -7.681 5.985 1.00 54.04 C ATOM 112 OG1 THR A 8 20.992 -8.044 5.993 1.00 75.33 O ATOM 113 CG2 THR A 8 22.877 -7.538 7.414 1.00 12.50 C ATOM 0 H THR A 8 21.307 -6.532 3.538 1.00 11.22 H new ATOM 0 HA THR A 8 22.731 -5.553 5.906 1.00 32.31 H new ATOM 0 HB THR A 8 22.955 -8.463 5.492 1.00 54.04 H new ATOM 0 HG1 THR A 8 20.876 -8.880 6.492 1.00 75.33 H new ATOM 0 HG21 THR A 8 22.728 -8.477 7.947 1.00 12.50 H new ATOM 0 HG22 THR A 8 23.938 -7.290 7.405 1.00 12.50 H new ATOM 0 HG23 THR A 8 22.323 -6.744 7.915 1.00 12.50 H new ATOM 121 N LYS A 9 24.816 -5.695 4.574 1.00 30.55 N ATOM 122 CA LYS A 9 26.047 -5.726 3.793 1.00 13.21 C ATOM 123 C LYS A 9 26.688 -7.109 3.842 1.00 50.04 C ATOM 124 O LYS A 9 27.513 -7.451 2.994 1.00 33.23 O ATOM 125 CB LYS A 9 27.032 -4.677 4.314 1.00 53.22 C ATOM 126 CG LYS A 9 27.672 -5.049 5.640 1.00 65.24 C ATOM 127 CD LYS A 9 29.055 -5.648 5.442 1.00 32.40 C ATOM 128 CE LYS A 9 30.147 -4.608 5.642 1.00 73.53 C ATOM 129 NZ LYS A 9 31.174 -4.670 4.566 1.00 44.33 N ATOM 0 H LYS A 9 24.813 -5.008 5.328 1.00 30.55 H new ATOM 0 HA LYS A 9 25.796 -5.498 2.757 1.00 13.21 H new ATOM 0 HB2 LYS A 9 27.816 -4.526 3.572 1.00 53.22 H new ATOM 0 HB3 LYS A 9 26.511 -3.726 4.426 1.00 53.22 H new ATOM 0 HG2 LYS A 9 27.745 -4.163 6.271 1.00 65.24 H new ATOM 0 HG3 LYS A 9 27.037 -5.763 6.164 1.00 65.24 H new ATOM 0 HD2 LYS A 9 29.201 -6.469 6.143 1.00 32.40 H new ATOM 0 HD3 LYS A 9 29.131 -6.068 4.439 1.00 32.40 H new ATOM 0 HE2 LYS A 9 29.702 -3.613 5.663 1.00 73.53 H new ATOM 0 HE3 LYS A 9 30.624 -4.764 6.609 1.00 73.53 H new ATOM 0 HZ1 LYS A 9 31.901 -3.946 4.738 1.00 44.33 H new ATOM 0 HZ2 LYS A 9 31.617 -5.611 4.562 1.00 44.33 H new ATOM 0 HZ3 LYS A 9 30.723 -4.496 3.645 1.00 44.33 H new ATOM 143 N SER A 10 26.303 -7.900 4.838 1.00 74.45 N ATOM 144 CA SER A 10 26.842 -9.246 4.997 1.00 10.34 C ATOM 145 C SER A 10 26.751 -10.026 3.690 1.00 63.34 C ATOM 146 O SER A 10 27.746 -10.200 2.986 1.00 44.54 O ATOM 147 CB SER A 10 26.091 -9.991 6.102 1.00 22.15 C ATOM 148 OG SER A 10 26.746 -9.847 7.351 1.00 42.12 O ATOM 0 H SER A 10 25.620 -7.633 5.547 1.00 74.45 H new ATOM 0 HA SER A 10 27.892 -9.160 5.275 1.00 10.34 H new ATOM 0 HB2 SER A 10 25.073 -9.609 6.176 1.00 22.15 H new ATOM 0 HB3 SER A 10 26.017 -11.048 5.847 1.00 22.15 H new ATOM 0 HG SER A 10 26.245 -10.331 8.041 1.00 42.12 H new ATOM 154 N LYS A 11 25.550 -10.496 3.370 1.00 0.14 N ATOM 155 CA LYS A 11 25.326 -11.257 2.147 1.00 31.33 C ATOM 156 C LYS A 11 24.181 -10.659 1.336 1.00 32.42 C ATOM 157 O LYS A 11 23.656 -11.296 0.424 1.00 53.11 O ATOM 158 CB LYS A 11 25.020 -12.719 2.481 1.00 34.11 C ATOM 159 CG LYS A 11 26.083 -13.689 1.997 1.00 70.43 C ATOM 160 CD LYS A 11 25.543 -14.618 0.922 1.00 53.20 C ATOM 161 CE LYS A 11 26.513 -15.751 0.626 1.00 75.52 C ATOM 162 NZ LYS A 11 26.964 -15.739 -0.793 1.00 54.04 N ATOM 0 H LYS A 11 24.716 -10.363 3.942 1.00 0.14 H new ATOM 0 HA LYS A 11 26.235 -11.210 1.548 1.00 31.33 H new ATOM 0 HB2 LYS A 11 24.912 -12.821 3.561 1.00 34.11 H new ATOM 0 HB3 LYS A 11 24.062 -12.991 2.037 1.00 34.11 H new ATOM 0 HG2 LYS A 11 26.933 -13.132 1.604 1.00 70.43 H new ATOM 0 HG3 LYS A 11 26.449 -14.278 2.838 1.00 70.43 H new ATOM 0 HD2 LYS A 11 24.587 -15.031 1.243 1.00 53.20 H new ATOM 0 HD3 LYS A 11 25.355 -14.051 0.010 1.00 53.20 H new ATOM 0 HE2 LYS A 11 27.379 -15.669 1.283 1.00 75.52 H new ATOM 0 HE3 LYS A 11 26.035 -16.705 0.847 1.00 75.52 H new ATOM 0 HZ1 LYS A 11 27.624 -16.527 -0.954 1.00 54.04 H new ATOM 0 HZ2 LYS A 11 26.141 -15.843 -1.420 1.00 54.04 H new ATOM 0 HZ3 LYS A 11 27.443 -14.839 -0.997 1.00 54.04 H new ATOM 176 N ASN A 12 23.800 -9.432 1.675 1.00 51.24 N ATOM 177 CA ASN A 12 22.717 -8.748 0.977 1.00 44.24 C ATOM 178 C ASN A 12 21.383 -9.442 1.229 1.00 33.51 C ATOM 179 O ASN A 12 21.245 -10.644 1.002 1.00 1.01 O ATOM 180 CB ASN A 12 23.003 -8.698 -0.526 1.00 12.43 C ATOM 181 CG ASN A 12 22.879 -7.296 -1.091 1.00 41.12 C ATOM 182 OD1 ASN A 12 23.297 -6.322 -0.464 1.00 61.51 O ATOM 183 ND2 ASN A 12 22.302 -7.188 -2.282 1.00 44.55 N ATOM 0 H ASN A 12 24.225 -8.891 2.428 1.00 51.24 H new ATOM 0 HA ASN A 12 22.655 -7.730 1.363 1.00 44.24 H new ATOM 0 HB2 ASN A 12 24.008 -9.075 -0.715 1.00 12.43 H new ATOM 0 HB3 ASN A 12 22.311 -9.360 -1.047 1.00 12.43 H new ATOM 0 HD21 ASN A 12 22.190 -6.270 -2.713 1.00 44.55 H new ATOM 0 HD22 ASN A 12 21.970 -8.023 -2.766 1.00 44.55 H new ATOM 190 N GLU A 13 20.403 -8.677 1.699 1.00 11.14 N ATOM 191 CA GLU A 13 19.079 -9.220 1.983 1.00 44.43 C ATOM 192 C GLU A 13 18.131 -8.122 2.456 1.00 2.31 C ATOM 193 O GLU A 13 17.972 -7.898 3.656 1.00 10.14 O ATOM 194 CB GLU A 13 19.171 -10.321 3.041 1.00 2.31 C ATOM 195 CG GLU A 13 18.869 -11.709 2.503 1.00 64.23 C ATOM 196 CD GLU A 13 19.295 -12.810 3.455 1.00 3.52 C ATOM 197 OE1 GLU A 13 20.215 -13.577 3.101 1.00 10.21 O ATOM 198 OE2 GLU A 13 18.709 -12.904 4.554 1.00 44.22 O ATOM 0 H GLU A 13 20.500 -7.680 1.891 1.00 11.14 H new ATOM 0 HA GLU A 13 18.683 -9.645 1.061 1.00 44.43 H new ATOM 0 HB2 GLU A 13 20.173 -10.317 3.471 1.00 2.31 H new ATOM 0 HB3 GLU A 13 18.476 -10.095 3.850 1.00 2.31 H new ATOM 0 HG2 GLU A 13 17.800 -11.795 2.310 1.00 64.23 H new ATOM 0 HG3 GLU A 13 19.377 -11.843 1.548 1.00 64.23 H new ATOM 205 N CYS A 14 17.504 -7.439 1.504 1.00 32.02 N ATOM 206 CA CYS A 14 16.572 -6.364 1.821 1.00 10.43 C ATOM 207 C CYS A 14 15.305 -6.915 2.469 1.00 21.02 C ATOM 208 O CYS A 14 14.489 -7.562 1.812 1.00 23.33 O ATOM 209 CB CYS A 14 16.212 -5.582 0.556 1.00 64.40 C ATOM 210 SG CYS A 14 15.542 -3.919 0.875 1.00 41.34 S ATOM 0 H CYS A 14 17.625 -7.611 0.506 1.00 32.02 H new ATOM 0 HA CYS A 14 17.059 -5.693 2.529 1.00 10.43 H new ATOM 0 HB2 CYS A 14 17.102 -5.490 -0.067 1.00 64.40 H new ATOM 0 HB3 CYS A 14 15.480 -6.153 -0.015 1.00 64.40 H new ATOM 215 N LYS A 15 15.147 -6.654 3.762 1.00 12.13 N ATOM 216 CA LYS A 15 13.980 -7.121 4.501 1.00 74.45 C ATOM 217 C LYS A 15 12.762 -6.253 4.200 1.00 21.20 C ATOM 218 O LYS A 15 12.895 -5.075 3.867 1.00 74.32 O ATOM 219 CB LYS A 15 14.265 -7.115 6.004 1.00 63.10 C ATOM 220 CG LYS A 15 13.318 -7.990 6.807 1.00 64.43 C ATOM 221 CD LYS A 15 12.116 -7.204 7.300 1.00 35.12 C ATOM 222 CE LYS A 15 12.294 -6.761 8.744 1.00 14.13 C ATOM 223 NZ LYS A 15 11.096 -7.073 9.572 1.00 55.31 N ATOM 0 H LYS A 15 15.813 -6.121 4.321 1.00 12.13 H new ATOM 0 HA LYS A 15 13.765 -8.141 4.183 1.00 74.45 H new ATOM 0 HB2 LYS A 15 15.288 -7.452 6.172 1.00 63.10 H new ATOM 0 HB3 LYS A 15 14.201 -6.091 6.373 1.00 63.10 H new ATOM 0 HG2 LYS A 15 12.981 -8.824 6.191 1.00 64.43 H new ATOM 0 HG3 LYS A 15 13.849 -8.417 7.658 1.00 64.43 H new ATOM 0 HD2 LYS A 15 11.966 -6.330 6.666 1.00 35.12 H new ATOM 0 HD3 LYS A 15 11.219 -7.817 7.214 1.00 35.12 H new ATOM 0 HE2 LYS A 15 13.168 -7.254 9.170 1.00 14.13 H new ATOM 0 HE3 LYS A 15 12.487 -5.689 8.774 1.00 14.13 H new ATOM 0 HZ1 LYS A 15 10.667 -6.188 9.909 1.00 55.31 H new ATOM 0 HZ2 LYS A 15 10.404 -7.596 8.998 1.00 55.31 H new ATOM 0 HZ3 LYS A 15 11.379 -7.653 10.387 1.00 55.31 H new ATOM 237 N TYR A 16 11.577 -6.842 4.321 1.00 4.53 N ATOM 238 CA TYR A 16 10.336 -6.122 4.062 1.00 43.53 C ATOM 239 C TYR A 16 9.128 -6.945 4.497 1.00 53.40 C ATOM 240 O TYR A 16 9.268 -7.975 5.156 1.00 74.22 O ATOM 241 CB TYR A 16 10.224 -5.776 2.576 1.00 72.22 C ATOM 242 CG TYR A 16 9.972 -6.977 1.692 1.00 24.24 C ATOM 243 CD1 TYR A 16 8.738 -7.171 1.085 1.00 52.33 C ATOM 244 CD2 TYR A 16 10.969 -7.919 1.466 1.00 14.20 C ATOM 245 CE1 TYR A 16 8.503 -8.267 0.277 1.00 2.12 C ATOM 246 CE2 TYR A 16 10.743 -9.017 0.659 1.00 63.00 C ATOM 247 CZ TYR A 16 9.509 -9.187 0.067 1.00 1.21 C ATOM 248 OH TYR A 16 9.280 -10.280 -0.736 1.00 64.34 O ATOM 0 H TYR A 16 11.450 -7.816 4.597 1.00 4.53 H new ATOM 0 HA TYR A 16 10.352 -5.200 4.643 1.00 43.53 H new ATOM 0 HB2 TYR A 16 9.415 -5.058 2.439 1.00 72.22 H new ATOM 0 HB3 TYR A 16 11.143 -5.286 2.255 1.00 72.22 H new ATOM 0 HD1 TYR A 16 7.948 -6.453 1.247 1.00 52.33 H new ATOM 0 HD2 TYR A 16 11.936 -7.790 1.929 1.00 14.20 H new ATOM 0 HE1 TYR A 16 7.537 -8.402 -0.187 1.00 2.12 H new ATOM 0 HE2 TYR A 16 11.529 -9.739 0.492 1.00 63.00 H new ATOM 0 HH TYR A 16 10.091 -10.829 -0.781 1.00 64.34 H new ATOM 258 N LYS A 17 7.940 -6.482 4.123 1.00 14.11 N ATOM 259 CA LYS A 17 6.704 -7.174 4.472 1.00 43.25 C ATOM 260 C LYS A 17 5.938 -7.584 3.218 1.00 42.21 C ATOM 261 O LYS A 17 5.946 -6.873 2.214 1.00 10.42 O ATOM 262 CB LYS A 17 5.825 -6.280 5.350 1.00 65.51 C ATOM 263 CG LYS A 17 4.404 -6.792 5.508 1.00 23.43 C ATOM 264 CD LYS A 17 3.533 -5.797 6.257 1.00 63.42 C ATOM 265 CE LYS A 17 4.059 -5.542 7.661 1.00 22.30 C ATOM 266 NZ LYS A 17 4.775 -4.240 7.757 1.00 14.22 N ATOM 0 H LYS A 17 7.807 -5.630 3.578 1.00 14.11 H new ATOM 0 HA LYS A 17 6.965 -8.074 5.028 1.00 43.25 H new ATOM 0 HB2 LYS A 17 6.282 -6.191 6.336 1.00 65.51 H new ATOM 0 HB3 LYS A 17 5.796 -5.279 4.920 1.00 65.51 H new ATOM 0 HG2 LYS A 17 3.974 -6.985 4.525 1.00 23.43 H new ATOM 0 HG3 LYS A 17 4.416 -7.742 6.043 1.00 23.43 H new ATOM 0 HD2 LYS A 17 3.495 -4.858 5.705 1.00 63.42 H new ATOM 0 HD3 LYS A 17 2.512 -6.175 6.313 1.00 63.42 H new ATOM 0 HE2 LYS A 17 3.229 -5.553 8.367 1.00 22.30 H new ATOM 0 HE3 LYS A 17 4.733 -6.349 7.949 1.00 22.30 H new ATOM 0 HZ1 LYS A 17 5.118 -4.103 8.729 1.00 14.22 H new ATOM 0 HZ2 LYS A 17 5.582 -4.239 7.102 1.00 14.22 H new ATOM 0 HZ3 LYS A 17 4.125 -3.467 7.507 1.00 14.22 H new ATOM 280 N ASN A 18 5.276 -8.735 3.284 1.00 3.52 N ATOM 281 CA ASN A 18 4.504 -9.238 2.154 1.00 21.22 C ATOM 282 C ASN A 18 3.107 -9.663 2.596 1.00 20.12 C ATOM 283 O ASN A 18 2.127 -8.960 2.351 1.00 13.34 O ATOM 284 CB ASN A 18 5.226 -10.419 1.502 1.00 21.33 C ATOM 285 CG ASN A 18 6.208 -11.088 2.445 1.00 43.14 C ATOM 286 OD1 ASN A 18 7.277 -10.548 2.730 1.00 23.11 O ATOM 287 ND2 ASN A 18 5.849 -12.270 2.932 1.00 1.44 N ATOM 0 H ASN A 18 5.259 -9.336 4.108 1.00 3.52 H new ATOM 0 HA ASN A 18 4.406 -8.433 1.425 1.00 21.22 H new ATOM 0 HB2 ASN A 18 4.491 -11.151 1.168 1.00 21.33 H new ATOM 0 HB3 ASN A 18 5.757 -10.072 0.615 1.00 21.33 H new ATOM 0 HD21 ASN A 18 6.469 -12.768 3.570 1.00 1.44 H new ATOM 0 HD22 ASN A 18 4.953 -12.680 2.668 1.00 1.44 H new ATOM 294 N ASP A 19 3.024 -10.817 3.249 1.00 65.22 N ATOM 295 CA ASP A 19 1.748 -11.336 3.727 1.00 41.41 C ATOM 296 C ASP A 19 1.043 -10.312 4.612 1.00 62.31 C ATOM 297 O ASP A 19 0.085 -9.666 4.189 1.00 62.34 O ATOM 298 CB ASP A 19 1.960 -12.638 4.501 1.00 51.32 C ATOM 299 CG ASP A 19 2.174 -13.827 3.585 1.00 2.03 C ATOM 300 OD1 ASP A 19 2.264 -13.622 2.356 1.00 11.35 O ATOM 301 OD2 ASP A 19 2.253 -14.963 4.098 1.00 41.14 O ATOM 0 H ASP A 19 3.826 -11.411 3.459 1.00 65.22 H new ATOM 0 HA ASP A 19 1.118 -11.537 2.861 1.00 41.41 H new ATOM 0 HB2 ASP A 19 2.822 -12.530 5.159 1.00 51.32 H new ATOM 0 HB3 ASP A 19 1.095 -12.824 5.137 1.00 51.32 H new ATOM 306 N ALA A 20 1.524 -10.171 5.843 1.00 73.40 N ATOM 307 CA ALA A 20 0.940 -9.227 6.787 1.00 4.52 C ATOM 308 C ALA A 20 1.992 -8.702 7.760 1.00 73.35 C ATOM 309 O ALA A 20 2.001 -7.520 8.101 1.00 63.43 O ATOM 310 CB ALA A 20 -0.205 -9.879 7.547 1.00 53.32 C ATOM 0 H ALA A 20 2.316 -10.699 6.209 1.00 73.40 H new ATOM 0 HA ALA A 20 0.550 -8.381 6.222 1.00 4.52 H new ATOM 0 HB1 ALA A 20 -0.631 -9.162 8.248 1.00 53.32 H new ATOM 0 HB2 ALA A 20 -0.973 -10.199 6.843 1.00 53.32 H new ATOM 0 HB3 ALA A 20 0.168 -10.744 8.095 1.00 53.32 H new ATOM 316 N GLY A 21 2.876 -9.591 8.203 1.00 1.53 N ATOM 317 CA GLY A 21 3.919 -9.198 9.133 1.00 30.11 C ATOM 318 C GLY A 21 5.094 -10.155 9.124 1.00 64.22 C ATOM 319 O GLY A 21 5.865 -10.214 10.082 1.00 1.21 O ATOM 0 H GLY A 21 2.889 -10.575 7.935 1.00 1.53 H new ATOM 0 HA2 GLY A 21 4.268 -8.197 8.881 1.00 30.11 H new ATOM 0 HA3 GLY A 21 3.504 -9.147 10.139 1.00 30.11 H new ATOM 323 N LYS A 22 5.232 -10.909 8.039 1.00 64.43 N ATOM 324 CA LYS A 22 6.322 -11.870 7.907 1.00 12.33 C ATOM 325 C LYS A 22 7.577 -11.197 7.362 1.00 4.20 C ATOM 326 O LYS A 22 7.650 -10.862 6.180 1.00 71.05 O ATOM 327 CB LYS A 22 5.907 -13.020 6.988 1.00 74.43 C ATOM 328 CG LYS A 22 5.245 -14.175 7.719 1.00 22.44 C ATOM 329 CD LYS A 22 3.793 -13.871 8.045 1.00 55.32 C ATOM 330 CE LYS A 22 3.499 -14.069 9.524 1.00 62.31 C ATOM 331 NZ LYS A 22 3.636 -15.496 9.930 1.00 55.42 N ATOM 0 H LYS A 22 4.602 -10.874 7.237 1.00 64.43 H new ATOM 0 HA LYS A 22 6.545 -12.267 8.897 1.00 12.33 H new ATOM 0 HB2 LYS A 22 5.221 -12.639 6.231 1.00 74.43 H new ATOM 0 HB3 LYS A 22 6.788 -13.390 6.463 1.00 74.43 H new ATOM 0 HG2 LYS A 22 5.300 -15.074 7.105 1.00 22.44 H new ATOM 0 HG3 LYS A 22 5.789 -14.383 8.640 1.00 22.44 H new ATOM 0 HD2 LYS A 22 3.563 -12.844 7.762 1.00 55.32 H new ATOM 0 HD3 LYS A 22 3.144 -14.517 7.454 1.00 55.32 H new ATOM 0 HE2 LYS A 22 4.180 -13.456 10.115 1.00 62.31 H new ATOM 0 HE3 LYS A 22 2.488 -13.724 9.743 1.00 62.31 H new ATOM 0 HZ1 LYS A 22 3.395 -15.595 10.937 1.00 55.42 H new ATOM 0 HZ2 LYS A 22 2.993 -16.082 9.360 1.00 55.42 H new ATOM 0 HZ3 LYS A 22 4.616 -15.808 9.777 1.00 55.42 H new ATOM 345 N ASP A 23 8.564 -11.003 8.230 1.00 32.35 N ATOM 346 CA ASP A 23 9.818 -10.373 7.835 1.00 11.20 C ATOM 347 C ASP A 23 10.514 -11.184 6.746 1.00 2.54 C ATOM 348 O ASP A 23 11.231 -12.143 7.033 1.00 2.25 O ATOM 349 CB ASP A 23 10.741 -10.222 9.045 1.00 42.40 C ATOM 350 CG ASP A 23 9.998 -9.771 10.287 1.00 24.04 C ATOM 351 OD1 ASP A 23 10.377 -10.205 11.396 1.00 61.13 O ATOM 352 OD2 ASP A 23 9.039 -8.984 10.152 1.00 51.35 O ATOM 0 H ASP A 23 8.520 -11.273 9.213 1.00 32.35 H new ATOM 0 HA ASP A 23 9.590 -9.384 7.437 1.00 11.20 H new ATOM 0 HB2 ASP A 23 11.232 -11.174 9.245 1.00 42.40 H new ATOM 0 HB3 ASP A 23 11.525 -9.501 8.813 1.00 42.40 H new ATOM 357 N THR A 24 10.298 -10.793 5.494 1.00 15.43 N ATOM 358 CA THR A 24 10.902 -11.484 4.362 1.00 12.34 C ATOM 359 C THR A 24 12.072 -10.689 3.794 1.00 22.32 C ATOM 360 O THR A 24 12.001 -9.467 3.664 1.00 72.24 O ATOM 361 CB THR A 24 9.874 -11.733 3.243 1.00 72.43 C ATOM 362 OG1 THR A 24 8.738 -12.431 3.767 1.00 65.23 O ATOM 363 CG2 THR A 24 10.492 -12.539 2.110 1.00 22.12 C ATOM 0 H THR A 24 9.709 -10.001 5.238 1.00 15.43 H new ATOM 0 HA THR A 24 11.264 -12.443 4.733 1.00 12.34 H new ATOM 0 HB THR A 24 9.557 -10.767 2.850 1.00 72.43 H new ATOM 0 HG1 THR A 24 7.990 -11.806 3.872 1.00 65.23 H new ATOM 0 HG21 THR A 24 9.747 -12.702 1.331 1.00 22.12 H new ATOM 0 HG22 THR A 24 11.338 -11.992 1.694 1.00 22.12 H new ATOM 0 HG23 THR A 24 10.834 -13.501 2.492 1.00 22.12 H new ATOM 371 N PHE A 25 13.149 -11.391 3.457 1.00 42.11 N ATOM 372 CA PHE A 25 14.336 -10.750 2.902 1.00 21.33 C ATOM 373 C PHE A 25 14.465 -11.043 1.410 1.00 11.42 C ATOM 374 O PHE A 25 14.234 -12.167 0.965 1.00 21.33 O ATOM 375 CB PHE A 25 15.590 -11.228 3.637 1.00 20.33 C ATOM 376 CG PHE A 25 15.540 -10.998 5.121 1.00 73.33 C ATOM 377 CD1 PHE A 25 16.221 -9.937 5.694 1.00 3.01 C ATOM 378 CD2 PHE A 25 14.811 -11.844 5.942 1.00 41.32 C ATOM 379 CE1 PHE A 25 16.177 -9.722 7.059 1.00 72.22 C ATOM 380 CE2 PHE A 25 14.763 -11.634 7.307 1.00 54.30 C ATOM 381 CZ PHE A 25 15.447 -10.572 7.866 1.00 22.54 C ATOM 0 H PHE A 25 13.224 -12.403 3.558 1.00 42.11 H new ATOM 0 HA PHE A 25 14.233 -9.673 3.035 1.00 21.33 H new ATOM 0 HB2 PHE A 25 15.729 -12.292 3.447 1.00 20.33 H new ATOM 0 HB3 PHE A 25 16.460 -10.714 3.227 1.00 20.33 H new ATOM 0 HD1 PHE A 25 16.793 -9.269 5.067 1.00 3.01 H new ATOM 0 HD2 PHE A 25 14.275 -12.676 5.510 1.00 41.32 H new ATOM 0 HE1 PHE A 25 16.713 -8.891 7.493 1.00 72.22 H new ATOM 0 HE2 PHE A 25 14.191 -12.300 7.936 1.00 54.30 H new ATOM 0 HZ PHE A 25 15.411 -10.407 8.933 1.00 22.54 H new ATOM 391 N ILE A 26 14.834 -10.022 0.643 1.00 22.34 N ATOM 392 CA ILE A 26 14.994 -10.169 -0.798 1.00 22.31 C ATOM 393 C ILE A 26 16.296 -9.533 -1.274 1.00 73.32 C ATOM 394 O ILE A 26 16.557 -8.358 -1.016 1.00 32.25 O ATOM 395 CB ILE A 26 13.817 -9.536 -1.563 1.00 34.44 C ATOM 396 CG1 ILE A 26 14.028 -9.672 -3.072 1.00 21.52 C ATOM 397 CG2 ILE A 26 13.658 -8.074 -1.174 1.00 72.02 C ATOM 398 CD1 ILE A 26 14.154 -11.106 -3.537 1.00 65.14 C ATOM 0 H ILE A 26 15.028 -9.085 0.996 1.00 22.34 H new ATOM 0 HA ILE A 26 15.018 -11.239 -1.005 1.00 22.31 H new ATOM 0 HB ILE A 26 12.902 -10.065 -1.295 1.00 34.44 H new ATOM 0 HG12 ILE A 26 13.193 -9.202 -3.591 1.00 21.52 H new ATOM 0 HG13 ILE A 26 14.928 -9.126 -3.356 1.00 21.52 H new ATOM 0 HG21 ILE A 26 12.822 -7.640 -1.723 1.00 72.02 H new ATOM 0 HG22 ILE A 26 13.466 -8.001 -0.104 1.00 72.02 H new ATOM 0 HG23 ILE A 26 14.572 -7.532 -1.416 1.00 72.02 H new ATOM 0 HD11 ILE A 26 14.302 -11.127 -4.617 1.00 65.14 H new ATOM 0 HD12 ILE A 26 15.007 -11.574 -3.045 1.00 65.14 H new ATOM 0 HD13 ILE A 26 13.245 -11.652 -3.285 1.00 65.14 H new ATOM 410 N LYS A 27 17.109 -10.317 -1.974 1.00 4.13 N ATOM 411 CA LYS A 27 18.383 -9.831 -2.490 1.00 64.13 C ATOM 412 C LYS A 27 18.184 -8.583 -3.344 1.00 10.45 C ATOM 413 O LYS A 27 17.057 -8.129 -3.544 1.00 50.31 O ATOM 414 CB LYS A 27 19.072 -10.921 -3.315 1.00 53.12 C ATOM 415 CG LYS A 27 18.316 -11.297 -4.578 1.00 14.22 C ATOM 416 CD LYS A 27 19.194 -12.075 -5.543 1.00 41.21 C ATOM 417 CE LYS A 27 18.370 -13.001 -6.424 1.00 51.12 C ATOM 418 NZ LYS A 27 18.967 -14.363 -6.509 1.00 14.34 N ATOM 0 H LYS A 27 16.908 -11.292 -2.197 1.00 4.13 H new ATOM 0 HA LYS A 27 19.015 -9.572 -1.641 1.00 64.13 H new ATOM 0 HB2 LYS A 27 20.071 -10.582 -3.587 1.00 53.12 H new ATOM 0 HB3 LYS A 27 19.195 -11.810 -2.697 1.00 53.12 H new ATOM 0 HG2 LYS A 27 17.443 -11.895 -4.316 1.00 14.22 H new ATOM 0 HG3 LYS A 27 17.949 -10.394 -5.066 1.00 14.22 H new ATOM 0 HD2 LYS A 27 19.754 -11.380 -6.168 1.00 41.21 H new ATOM 0 HD3 LYS A 27 19.924 -12.659 -4.982 1.00 41.21 H new ATOM 0 HE2 LYS A 27 17.357 -13.073 -6.028 1.00 51.12 H new ATOM 0 HE3 LYS A 27 18.292 -12.576 -7.425 1.00 51.12 H new ATOM 0 HZ1 LYS A 27 18.376 -14.964 -7.118 1.00 14.34 H new ATOM 0 HZ2 LYS A 27 19.924 -14.298 -6.911 1.00 14.34 H new ATOM 0 HZ3 LYS A 27 19.018 -14.780 -5.557 1.00 14.34 H new ATOM 432 N CYS A 28 19.285 -8.032 -3.845 1.00 34.20 N ATOM 433 CA CYS A 28 19.231 -6.837 -4.678 1.00 2.22 C ATOM 434 C CYS A 28 19.562 -7.170 -6.130 1.00 31.13 C ATOM 435 O CYS A 28 20.700 -7.037 -6.580 1.00 1.33 O ATOM 436 CB CYS A 28 20.204 -5.779 -4.152 1.00 33.44 C ATOM 437 SG CYS A 28 19.625 -4.065 -4.364 1.00 72.23 S ATOM 0 H CYS A 28 20.225 -8.394 -3.688 1.00 34.20 H new ATOM 0 HA CYS A 28 18.216 -6.441 -4.636 1.00 2.22 H new ATOM 0 HB2 CYS A 28 20.385 -5.962 -3.093 1.00 33.44 H new ATOM 0 HB3 CYS A 28 21.160 -5.894 -4.663 1.00 33.44 H new ATOM 442 N PRO A 29 18.544 -7.614 -6.881 1.00 74.44 N ATOM 443 CA PRO A 29 18.701 -7.975 -8.293 1.00 73.34 C ATOM 444 C PRO A 29 18.952 -6.759 -9.178 1.00 53.12 C ATOM 445 O PRO A 29 19.434 -6.886 -10.304 1.00 2.32 O ATOM 446 CB PRO A 29 17.360 -8.625 -8.645 1.00 13.51 C ATOM 447 CG PRO A 29 16.389 -8.036 -7.680 1.00 25.24 C ATOM 448 CD PRO A 29 17.160 -7.798 -6.411 1.00 4.03 C ATOM 0 HA PRO A 29 19.561 -8.626 -8.454 1.00 73.34 H new ATOM 0 HB2 PRO A 29 17.074 -8.411 -9.675 1.00 13.51 H new ATOM 0 HB3 PRO A 29 17.408 -9.710 -8.547 1.00 13.51 H new ATOM 0 HG2 PRO A 29 15.973 -7.105 -8.064 1.00 25.24 H new ATOM 0 HG3 PRO A 29 15.552 -8.712 -7.507 1.00 25.24 H new ATOM 0 HD2 PRO A 29 16.796 -6.919 -5.879 1.00 4.03 H new ATOM 0 HD3 PRO A 29 17.077 -8.642 -5.726 1.00 4.03 H new ATOM 456 N LYS A 30 18.622 -5.580 -8.662 1.00 53.34 N ATOM 457 CA LYS A 30 18.813 -4.339 -9.404 1.00 73.12 C ATOM 458 C LYS A 30 20.291 -4.099 -9.692 1.00 24.32 C ATOM 459 O LYS A 30 20.723 -4.133 -10.844 1.00 43.22 O ATOM 460 CB LYS A 30 18.237 -3.158 -8.620 1.00 54.00 C ATOM 461 CG LYS A 30 16.739 -2.982 -8.798 1.00 75.23 C ATOM 462 CD LYS A 30 16.414 -2.222 -10.073 1.00 41.32 C ATOM 463 CE LYS A 30 16.340 -0.723 -9.825 1.00 1.04 C ATOM 464 NZ LYS A 30 15.021 -0.159 -10.224 1.00 30.01 N ATOM 0 H LYS A 30 18.221 -5.458 -7.732 1.00 53.34 H new ATOM 0 HA LYS A 30 18.286 -4.428 -10.354 1.00 73.12 H new ATOM 0 HB2 LYS A 30 18.455 -3.295 -7.561 1.00 54.00 H new ATOM 0 HB3 LYS A 30 18.741 -2.244 -8.933 1.00 54.00 H new ATOM 0 HG2 LYS A 30 16.257 -3.960 -8.823 1.00 75.23 H new ATOM 0 HG3 LYS A 30 16.330 -2.447 -7.941 1.00 75.23 H new ATOM 0 HD2 LYS A 30 17.174 -2.430 -10.826 1.00 41.32 H new ATOM 0 HD3 LYS A 30 15.463 -2.573 -10.475 1.00 41.32 H new ATOM 0 HE2 LYS A 30 16.517 -0.521 -8.769 1.00 1.04 H new ATOM 0 HE3 LYS A 30 17.132 -0.223 -10.382 1.00 1.04 H new ATOM 0 HZ1 LYS A 30 15.011 0.864 -10.039 1.00 30.01 H new ATOM 0 HZ2 LYS A 30 14.863 -0.329 -11.238 1.00 30.01 H new ATOM 0 HZ3 LYS A 30 14.267 -0.617 -9.674 1.00 30.01 H new ATOM 478 N PHE A 31 21.063 -3.859 -8.637 1.00 42.20 N ATOM 479 CA PHE A 31 22.494 -3.614 -8.777 1.00 10.04 C ATOM 480 C PHE A 31 23.301 -4.821 -8.308 1.00 34.43 C ATOM 481 O PHE A 31 22.869 -5.566 -7.428 1.00 33.23 O ATOM 482 CB PHE A 31 22.901 -2.373 -7.979 1.00 31.54 C ATOM 483 CG PHE A 31 21.784 -1.387 -7.793 1.00 53.34 C ATOM 484 CD1 PHE A 31 21.631 -0.321 -8.666 1.00 3.05 C ATOM 485 CD2 PHE A 31 20.886 -1.525 -6.747 1.00 3.32 C ATOM 486 CE1 PHE A 31 20.604 0.589 -8.498 1.00 62.32 C ATOM 487 CE2 PHE A 31 19.857 -0.619 -6.575 1.00 0.43 C ATOM 488 CZ PHE A 31 19.717 0.440 -7.451 1.00 15.13 C ATOM 0 H PHE A 31 20.722 -3.829 -7.676 1.00 42.20 H new ATOM 0 HA PHE A 31 22.707 -3.445 -9.833 1.00 10.04 H new ATOM 0 HB2 PHE A 31 23.267 -2.684 -7.001 1.00 31.54 H new ATOM 0 HB3 PHE A 31 23.730 -1.880 -8.487 1.00 31.54 H new ATOM 0 HD1 PHE A 31 22.322 -0.200 -9.487 1.00 3.05 H new ATOM 0 HD2 PHE A 31 20.991 -2.350 -6.058 1.00 3.32 H new ATOM 0 HE1 PHE A 31 20.496 1.415 -9.185 1.00 62.32 H new ATOM 0 HE2 PHE A 31 19.163 -0.739 -5.756 1.00 0.43 H new ATOM 0 HZ PHE A 31 18.915 1.150 -7.317 1.00 15.13 H new ATOM 498 N ASP A 32 24.474 -5.008 -8.902 1.00 73.42 N ATOM 499 CA ASP A 32 25.342 -6.125 -8.546 1.00 41.51 C ATOM 500 C ASP A 32 26.597 -5.631 -7.833 1.00 50.21 C ATOM 501 O ASP A 32 27.190 -6.350 -7.030 1.00 51.12 O ATOM 502 CB ASP A 32 25.729 -6.916 -9.796 1.00 70.41 C ATOM 503 CG ASP A 32 24.541 -7.197 -10.695 1.00 14.41 C ATOM 504 OD1 ASP A 32 24.278 -6.381 -11.603 1.00 40.35 O ATOM 505 OD2 ASP A 32 23.874 -8.232 -10.490 1.00 74.12 O ATOM 0 H ASP A 32 24.846 -4.401 -9.632 1.00 73.42 H new ATOM 0 HA ASP A 32 24.793 -6.778 -7.868 1.00 41.51 H new ATOM 0 HB2 ASP A 32 26.481 -6.360 -10.356 1.00 70.41 H new ATOM 0 HB3 ASP A 32 26.187 -7.859 -9.498 1.00 70.41 H new ATOM 510 N ASN A 33 26.996 -4.399 -8.133 1.00 62.14 N ATOM 511 CA ASN A 33 28.182 -3.810 -7.522 1.00 50.32 C ATOM 512 C ASN A 33 27.816 -2.572 -6.708 1.00 63.31 C ATOM 513 O ASN A 33 28.616 -2.081 -5.911 1.00 35.45 O ATOM 514 CB ASN A 33 29.206 -3.442 -8.598 1.00 3.13 C ATOM 515 CG ASN A 33 30.578 -4.023 -8.313 1.00 33.03 C ATOM 516 OD1 ASN A 33 31.582 -3.311 -8.333 1.00 20.35 O ATOM 517 ND2 ASN A 33 30.625 -5.323 -8.046 1.00 25.01 N ATOM 0 H ASN A 33 26.516 -3.790 -8.795 1.00 62.14 H new ATOM 0 HA ASN A 33 28.620 -4.549 -6.851 1.00 50.32 H new ATOM 0 HB2 ASN A 33 28.857 -3.801 -9.566 1.00 3.13 H new ATOM 0 HB3 ASN A 33 29.281 -2.357 -8.668 1.00 3.13 H new ATOM 0 HD21 ASN A 33 31.520 -5.771 -7.846 1.00 25.01 H new ATOM 0 HD22 ASN A 33 29.767 -5.874 -8.041 1.00 25.01 H new ATOM 524 N LYS A 34 26.602 -2.073 -6.914 1.00 45.33 N ATOM 525 CA LYS A 34 26.128 -0.894 -6.199 1.00 41.12 C ATOM 526 C LYS A 34 24.894 -1.223 -5.366 1.00 31.35 C ATOM 527 O LYS A 34 24.092 -0.344 -5.050 1.00 41.10 O ATOM 528 CB LYS A 34 25.805 0.231 -7.186 1.00 21.35 C ATOM 529 CG LYS A 34 26.957 0.575 -8.114 1.00 73.43 C ATOM 530 CD LYS A 34 28.055 1.330 -7.385 1.00 21.42 C ATOM 531 CE LYS A 34 27.619 2.743 -7.031 1.00 3.23 C ATOM 532 NZ LYS A 34 27.852 3.051 -5.592 1.00 54.45 N ATOM 0 H LYS A 34 25.928 -2.467 -7.571 1.00 45.33 H new ATOM 0 HA LYS A 34 26.921 -0.564 -5.528 1.00 41.12 H new ATOM 0 HB2 LYS A 34 24.941 -0.059 -7.785 1.00 21.35 H new ATOM 0 HB3 LYS A 34 25.521 1.123 -6.627 1.00 21.35 H new ATOM 0 HG2 LYS A 34 27.366 -0.340 -8.542 1.00 73.43 H new ATOM 0 HG3 LYS A 34 26.589 1.178 -8.944 1.00 73.43 H new ATOM 0 HD2 LYS A 34 28.325 0.793 -6.476 1.00 21.42 H new ATOM 0 HD3 LYS A 34 28.948 1.369 -8.009 1.00 21.42 H new ATOM 0 HE2 LYS A 34 28.165 3.457 -7.648 1.00 3.23 H new ATOM 0 HE3 LYS A 34 26.561 2.865 -7.262 1.00 3.23 H new ATOM 0 HZ1 LYS A 34 27.542 4.023 -5.390 1.00 54.45 H new ATOM 0 HZ2 LYS A 34 27.312 2.386 -5.003 1.00 54.45 H new ATOM 0 HZ3 LYS A 34 28.865 2.959 -5.377 1.00 54.45 H new ATOM 546 N LYS A 35 24.748 -2.495 -5.010 1.00 71.22 N ATOM 547 CA LYS A 35 23.613 -2.941 -4.210 1.00 61.25 C ATOM 548 C LYS A 35 23.778 -2.526 -2.752 1.00 44.42 C ATOM 549 O LYS A 35 24.667 -1.742 -2.416 1.00 52.12 O ATOM 550 CB LYS A 35 23.463 -4.461 -4.305 1.00 35.33 C ATOM 551 CG LYS A 35 24.616 -5.227 -3.679 1.00 15.32 C ATOM 552 CD LYS A 35 25.054 -6.389 -4.554 1.00 40.42 C ATOM 553 CE LYS A 35 25.429 -7.604 -3.720 1.00 74.34 C ATOM 554 NZ LYS A 35 24.580 -8.784 -4.046 1.00 54.54 N ATOM 0 H LYS A 35 25.402 -3.236 -5.263 1.00 71.22 H new ATOM 0 HA LYS A 35 22.714 -2.467 -4.604 1.00 61.25 H new ATOM 0 HB2 LYS A 35 22.534 -4.757 -3.818 1.00 35.33 H new ATOM 0 HB3 LYS A 35 23.377 -4.744 -5.354 1.00 35.33 H new ATOM 0 HG2 LYS A 35 25.458 -4.553 -3.520 1.00 15.32 H new ATOM 0 HG3 LYS A 35 24.317 -5.600 -2.700 1.00 15.32 H new ATOM 0 HD2 LYS A 35 24.250 -6.652 -5.241 1.00 40.42 H new ATOM 0 HD3 LYS A 35 25.906 -6.087 -5.162 1.00 40.42 H new ATOM 0 HE2 LYS A 35 26.477 -7.852 -3.890 1.00 74.34 H new ATOM 0 HE3 LYS A 35 25.326 -7.364 -2.662 1.00 74.34 H new ATOM 0 HZ1 LYS A 35 24.722 -9.523 -3.328 1.00 54.54 H new ATOM 0 HZ2 LYS A 35 23.580 -8.500 -4.057 1.00 54.54 H new ATOM 0 HZ3 LYS A 35 24.845 -9.154 -4.981 1.00 54.54 H new ATOM 568 N CYS A 36 22.918 -3.056 -1.889 1.00 64.44 N ATOM 569 CA CYS A 36 22.969 -2.742 -0.467 1.00 2.22 C ATOM 570 C CYS A 36 24.329 -3.106 0.123 1.00 73.43 C ATOM 571 O CYS A 36 24.667 -4.283 0.251 1.00 23.55 O ATOM 572 CB CYS A 36 21.861 -3.485 0.281 1.00 33.22 C ATOM 573 SG CYS A 36 20.250 -2.634 0.261 1.00 21.20 S ATOM 0 H CYS A 36 22.177 -3.706 -2.151 1.00 64.44 H new ATOM 0 HA CYS A 36 22.819 -1.668 -0.352 1.00 2.22 H new ATOM 0 HB2 CYS A 36 21.742 -4.476 -0.158 1.00 33.22 H new ATOM 0 HB3 CYS A 36 22.170 -3.630 1.316 1.00 33.22 H new ATOM 578 N THR A 37 25.105 -2.088 0.480 1.00 21.00 N ATOM 579 CA THR A 37 26.427 -2.300 1.055 1.00 64.01 C ATOM 580 C THR A 37 26.518 -1.711 2.458 1.00 71.01 C ATOM 581 O THR A 37 27.521 -1.097 2.821 1.00 2.24 O ATOM 582 CB THR A 37 27.528 -1.676 0.177 1.00 64.35 C ATOM 583 OG1 THR A 37 27.379 -0.253 0.141 1.00 54.43 O ATOM 584 CG2 THR A 37 27.472 -2.233 -1.238 1.00 43.11 C ATOM 0 H THR A 37 24.840 -1.108 0.381 1.00 21.00 H new ATOM 0 HA THR A 37 26.580 -3.378 1.106 1.00 64.01 H new ATOM 0 HB THR A 37 28.495 -1.928 0.612 1.00 64.35 H new ATOM 0 HG1 THR A 37 28.084 0.136 -0.418 1.00 54.43 H new ATOM 0 HG21 THR A 37 28.259 -1.778 -1.840 1.00 43.11 H new ATOM 0 HG22 THR A 37 27.616 -3.313 -1.210 1.00 43.11 H new ATOM 0 HG23 THR A 37 26.501 -2.008 -1.680 1.00 43.11 H new ATOM 592 N LYS A 38 25.464 -1.902 3.244 1.00 72.31 N ATOM 593 CA LYS A 38 25.424 -1.392 4.609 1.00 2.22 C ATOM 594 C LYS A 38 24.460 -2.206 5.467 1.00 45.14 C ATOM 595 O LYS A 38 23.507 -2.795 4.957 1.00 64.32 O ATOM 596 CB LYS A 38 25.008 0.081 4.613 1.00 34.21 C ATOM 597 CG LYS A 38 26.053 1.007 5.211 1.00 74.11 C ATOM 598 CD LYS A 38 25.822 1.221 6.698 1.00 44.45 C ATOM 599 CE LYS A 38 27.135 1.253 7.466 1.00 52.12 C ATOM 600 NZ LYS A 38 27.155 2.340 8.484 1.00 64.32 N ATOM 0 H LYS A 38 24.625 -2.407 2.958 1.00 72.31 H new ATOM 0 HA LYS A 38 26.424 -1.482 5.033 1.00 2.22 H new ATOM 0 HB2 LYS A 38 24.800 0.394 3.590 1.00 34.21 H new ATOM 0 HB3 LYS A 38 24.079 0.186 5.173 1.00 34.21 H new ATOM 0 HG2 LYS A 38 27.046 0.587 5.053 1.00 74.11 H new ATOM 0 HG3 LYS A 38 26.027 1.967 4.696 1.00 74.11 H new ATOM 0 HD2 LYS A 38 25.285 2.157 6.853 1.00 44.45 H new ATOM 0 HD3 LYS A 38 25.190 0.423 7.088 1.00 44.45 H new ATOM 0 HE2 LYS A 38 27.292 0.293 7.957 1.00 52.12 H new ATOM 0 HE3 LYS A 38 27.961 1.393 6.768 1.00 52.12 H new ATOM 0 HZ1 LYS A 38 28.066 2.329 8.986 1.00 64.32 H new ATOM 0 HZ2 LYS A 38 27.030 3.259 8.013 1.00 64.32 H new ATOM 0 HZ3 LYS A 38 26.383 2.192 9.165 1.00 64.32 H new ATOM 614 N ASP A 39 24.714 -2.233 6.770 1.00 2.23 N ATOM 615 CA ASP A 39 23.867 -2.973 7.699 1.00 44.41 C ATOM 616 C ASP A 39 22.694 -2.116 8.165 1.00 70.15 C ATOM 617 O ASP A 39 22.884 -1.056 8.759 1.00 42.01 O ATOM 618 CB ASP A 39 24.684 -3.440 8.905 1.00 75.41 C ATOM 619 CG ASP A 39 25.330 -2.288 9.649 1.00 74.31 C ATOM 620 OD1 ASP A 39 24.752 -1.836 10.660 1.00 61.20 O ATOM 621 OD2 ASP A 39 26.413 -1.839 9.221 1.00 60.23 O ATOM 0 H ASP A 39 25.499 -1.751 7.208 1.00 2.23 H new ATOM 0 HA ASP A 39 23.472 -3.845 7.177 1.00 44.41 H new ATOM 0 HB2 ASP A 39 24.037 -3.991 9.587 1.00 75.41 H new ATOM 0 HB3 ASP A 39 25.457 -4.132 8.570 1.00 75.41 H new ATOM 626 N ASN A 40 21.481 -2.583 7.889 1.00 73.42 N ATOM 627 CA ASN A 40 20.276 -1.859 8.278 1.00 21.30 C ATOM 628 C ASN A 40 20.177 -0.530 7.536 1.00 52.01 C ATOM 629 O ASN A 40 19.870 0.503 8.130 1.00 23.30 O ATOM 630 CB ASN A 40 20.269 -1.615 9.788 1.00 15.24 C ATOM 631 CG ASN A 40 20.797 -2.803 10.569 1.00 10.30 C ATOM 632 OD1 ASN A 40 20.342 -3.932 10.386 1.00 11.22 O ATOM 633 ND2 ASN A 40 21.763 -2.552 11.445 1.00 32.24 N ATOM 0 H ASN A 40 21.306 -3.459 7.397 1.00 73.42 H new ATOM 0 HA ASN A 40 19.413 -2.469 8.011 1.00 21.30 H new ATOM 0 HB2 ASN A 40 20.874 -0.737 10.014 1.00 15.24 H new ATOM 0 HB3 ASN A 40 19.252 -1.393 10.113 1.00 15.24 H new ATOM 0 HD21 ASN A 40 22.159 -3.311 11.999 1.00 32.24 H new ATOM 0 HD22 ASN A 40 22.109 -1.600 11.563 1.00 32.24 H new ATOM 640 N ASN A 41 20.438 -0.565 6.233 1.00 11.11 N ATOM 641 CA ASN A 41 20.378 0.637 5.409 1.00 31.11 C ATOM 642 C ASN A 41 18.943 0.936 4.987 1.00 73.12 C ATOM 643 O ASN A 41 17.996 0.329 5.489 1.00 4.44 O ATOM 644 CB ASN A 41 21.263 0.476 4.171 1.00 12.43 C ATOM 645 CG ASN A 41 20.810 -0.665 3.281 1.00 40.30 C ATOM 646 OD1 ASN A 41 19.873 -0.520 2.495 1.00 3.34 O ATOM 647 ND2 ASN A 41 21.475 -1.808 3.401 1.00 41.15 N ATOM 0 H ASN A 41 20.693 -1.412 5.725 1.00 11.11 H new ATOM 0 HA ASN A 41 20.745 1.474 6.003 1.00 31.11 H new ATOM 0 HB2 ASN A 41 21.256 1.404 3.599 1.00 12.43 H new ATOM 0 HB3 ASN A 41 22.293 0.302 4.484 1.00 12.43 H new ATOM 0 HD21 ASN A 41 21.216 -2.611 2.828 1.00 41.15 H new ATOM 0 HD22 ASN A 41 22.245 -1.883 4.066 1.00 41.15 H new ATOM 654 N LYS A 42 18.788 1.875 4.059 1.00 21.42 N ATOM 655 CA LYS A 42 17.469 2.254 3.566 1.00 4.13 C ATOM 656 C LYS A 42 17.187 1.607 2.214 1.00 1.30 C ATOM 657 O LYS A 42 17.780 1.979 1.201 1.00 64.42 O ATOM 658 CB LYS A 42 17.365 3.776 3.447 1.00 5.32 C ATOM 659 CG LYS A 42 17.936 4.520 4.642 1.00 1.31 C ATOM 660 CD LYS A 42 17.583 5.998 4.600 1.00 61.44 C ATOM 661 CE LYS A 42 18.829 6.869 4.619 1.00 5.20 C ATOM 662 NZ LYS A 42 19.465 6.899 5.966 1.00 73.34 N ATOM 0 H LYS A 42 19.560 2.388 3.633 1.00 21.42 H new ATOM 0 HA LYS A 42 16.726 1.900 4.280 1.00 4.13 H new ATOM 0 HB2 LYS A 42 17.887 4.098 2.546 1.00 5.32 H new ATOM 0 HB3 LYS A 42 16.318 4.052 3.325 1.00 5.32 H new ATOM 0 HG2 LYS A 42 17.553 4.080 5.563 1.00 1.31 H new ATOM 0 HG3 LYS A 42 19.020 4.404 4.660 1.00 1.31 H new ATOM 0 HD2 LYS A 42 17.004 6.209 3.701 1.00 61.44 H new ATOM 0 HD3 LYS A 42 16.951 6.247 5.453 1.00 61.44 H new ATOM 0 HE2 LYS A 42 19.545 6.494 3.888 1.00 5.20 H new ATOM 0 HE3 LYS A 42 18.567 7.884 4.318 1.00 5.20 H new ATOM 0 HZ1 LYS A 42 20.311 7.503 5.937 1.00 73.34 H new ATOM 0 HZ2 LYS A 42 18.791 7.280 6.660 1.00 73.34 H new ATOM 0 HZ3 LYS A 42 19.738 5.934 6.243 1.00 73.34 H new ATOM 676 N CYS A 43 16.277 0.639 2.205 1.00 41.12 N ATOM 677 CA CYS A 43 15.915 -0.059 0.977 1.00 12.12 C ATOM 678 C CYS A 43 14.476 -0.562 1.042 1.00 54.10 C ATOM 679 O CYS A 43 14.014 -1.027 2.085 1.00 63.12 O ATOM 680 CB CYS A 43 16.866 -1.232 0.733 1.00 2.01 C ATOM 681 SG CYS A 43 16.613 -2.642 1.859 1.00 54.42 S ATOM 0 H CYS A 43 15.777 0.320 3.035 1.00 41.12 H new ATOM 0 HA CYS A 43 15.998 0.646 0.150 1.00 12.12 H new ATOM 0 HB2 CYS A 43 16.746 -1.575 -0.295 1.00 2.01 H new ATOM 0 HB3 CYS A 43 17.893 -0.880 0.834 1.00 2.01 H new ATOM 686 N THR A 44 13.770 -0.466 -0.081 1.00 13.44 N ATOM 687 CA THR A 44 12.383 -0.909 -0.152 1.00 64.41 C ATOM 688 C THR A 44 12.242 -2.127 -1.058 1.00 70.20 C ATOM 689 O THR A 44 13.235 -2.685 -1.525 1.00 42.55 O ATOM 690 CB THR A 44 11.461 0.211 -0.669 1.00 70.31 C ATOM 691 OG1 THR A 44 11.656 0.396 -2.076 1.00 32.34 O ATOM 692 CG2 THR A 44 11.734 1.517 0.062 1.00 75.32 C ATOM 0 H THR A 44 14.136 -0.085 -0.954 1.00 13.44 H new ATOM 0 HA THR A 44 12.084 -1.176 0.861 1.00 64.41 H new ATOM 0 HB THR A 44 10.428 -0.083 -0.481 1.00 70.31 H new ATOM 0 HG1 THR A 44 11.065 1.109 -2.397 1.00 32.34 H new ATOM 0 HG21 THR A 44 11.071 2.293 -0.320 1.00 75.32 H new ATOM 0 HG22 THR A 44 11.556 1.381 1.129 1.00 75.32 H new ATOM 0 HG23 THR A 44 12.770 1.814 -0.098 1.00 75.32 H new ATOM 700 N VAL A 45 11.001 -2.536 -1.303 1.00 50.22 N ATOM 701 CA VAL A 45 10.730 -3.687 -2.155 1.00 75.33 C ATOM 702 C VAL A 45 9.387 -3.543 -2.863 1.00 50.10 C ATOM 703 O VAL A 45 8.360 -3.308 -2.226 1.00 50.21 O ATOM 704 CB VAL A 45 10.732 -4.998 -1.346 1.00 4.32 C ATOM 705 CG1 VAL A 45 10.391 -6.179 -2.241 1.00 33.12 C ATOM 706 CG2 VAL A 45 12.080 -5.203 -0.669 1.00 55.45 C ATOM 0 H VAL A 45 10.168 -2.087 -0.923 1.00 50.22 H new ATOM 0 HA VAL A 45 11.527 -3.725 -2.897 1.00 75.33 H new ATOM 0 HB VAL A 45 9.968 -4.928 -0.572 1.00 4.32 H new ATOM 0 HG11 VAL A 45 10.397 -7.096 -1.652 1.00 33.12 H new ATOM 0 HG12 VAL A 45 9.402 -6.033 -2.675 1.00 33.12 H new ATOM 0 HG13 VAL A 45 11.129 -6.256 -3.039 1.00 33.12 H new ATOM 0 HG21 VAL A 45 12.064 -6.134 -0.102 1.00 55.45 H new ATOM 0 HG22 VAL A 45 12.863 -5.252 -1.425 1.00 55.45 H new ATOM 0 HG23 VAL A 45 12.279 -4.370 0.006 1.00 55.45 H new ATOM 716 N ASP A 46 9.402 -3.686 -4.184 1.00 4.43 N ATOM 717 CA ASP A 46 8.185 -3.573 -4.979 1.00 44.32 C ATOM 718 C ASP A 46 7.675 -4.950 -5.390 1.00 20.41 C ATOM 719 O ASP A 46 8.284 -5.630 -6.217 1.00 43.51 O ATOM 720 CB ASP A 46 8.440 -2.718 -6.222 1.00 24.32 C ATOM 721 CG ASP A 46 7.208 -1.951 -6.660 1.00 22.32 C ATOM 722 OD1 ASP A 46 6.098 -2.302 -6.206 1.00 44.23 O ATOM 723 OD2 ASP A 46 7.354 -1.000 -7.455 1.00 73.04 O ATOM 0 H ASP A 46 10.244 -3.880 -4.727 1.00 4.43 H new ATOM 0 HA ASP A 46 7.423 -3.091 -4.366 1.00 44.32 H new ATOM 0 HB2 ASP A 46 9.248 -2.016 -6.017 1.00 24.32 H new ATOM 0 HB3 ASP A 46 8.775 -3.359 -7.038 1.00 24.32 H new ATOM 728 N THR A 47 6.553 -5.359 -4.806 1.00 12.35 N ATOM 729 CA THR A 47 5.961 -6.656 -5.109 1.00 4.25 C ATOM 730 C THR A 47 5.146 -6.601 -6.395 1.00 71.23 C ATOM 731 O THR A 47 4.569 -7.603 -6.819 1.00 15.23 O ATOM 732 CB THR A 47 5.057 -7.143 -3.961 1.00 14.51 C ATOM 733 OG1 THR A 47 4.679 -8.506 -4.180 1.00 21.45 O ATOM 734 CG2 THR A 47 3.810 -6.277 -3.850 1.00 61.54 C ATOM 0 H THR A 47 6.036 -4.810 -4.120 1.00 12.35 H new ATOM 0 HA THR A 47 6.785 -7.358 -5.235 1.00 4.25 H new ATOM 0 HB THR A 47 5.617 -7.067 -3.029 1.00 14.51 H new ATOM 0 HG1 THR A 47 4.517 -8.651 -5.136 1.00 21.45 H new ATOM 0 HG21 THR A 47 3.187 -6.640 -3.033 1.00 61.54 H new ATOM 0 HG22 THR A 47 4.100 -5.245 -3.655 1.00 61.54 H new ATOM 0 HG23 THR A 47 3.249 -6.326 -4.783 1.00 61.54 H new ATOM 742 N TYR A 48 5.103 -5.426 -7.013 1.00 60.24 N ATOM 743 CA TYR A 48 4.356 -5.241 -8.252 1.00 2.01 C ATOM 744 C TYR A 48 5.170 -5.710 -9.454 1.00 71.21 C ATOM 745 O TYR A 48 4.646 -6.362 -10.356 1.00 53.33 O ATOM 746 CB TYR A 48 3.971 -3.771 -8.425 1.00 3.21 C ATOM 747 CG TYR A 48 2.748 -3.563 -9.289 1.00 44.34 C ATOM 748 CD1 TYR A 48 1.521 -3.237 -8.724 1.00 63.42 C ATOM 749 CD2 TYR A 48 2.819 -3.692 -10.671 1.00 24.32 C ATOM 750 CE1 TYR A 48 0.401 -3.047 -9.510 1.00 20.01 C ATOM 751 CE2 TYR A 48 1.705 -3.502 -11.464 1.00 72.34 C ATOM 752 CZ TYR A 48 0.498 -3.180 -10.879 1.00 71.04 C ATOM 753 OH TYR A 48 -0.615 -2.991 -11.666 1.00 71.43 O ATOM 0 H TYR A 48 5.576 -4.587 -6.677 1.00 60.24 H new ATOM 0 HA TYR A 48 3.449 -5.843 -8.193 1.00 2.01 H new ATOM 0 HB2 TYR A 48 3.791 -3.333 -7.443 1.00 3.21 H new ATOM 0 HB3 TYR A 48 4.811 -3.233 -8.864 1.00 3.21 H new ATOM 0 HD1 TYR A 48 1.442 -3.130 -7.652 1.00 63.42 H new ATOM 0 HD2 TYR A 48 3.762 -3.945 -11.133 1.00 24.32 H new ATOM 0 HE1 TYR A 48 -0.546 -2.796 -9.055 1.00 20.01 H new ATOM 0 HE2 TYR A 48 1.778 -3.605 -12.537 1.00 72.34 H new ATOM 0 HH TYR A 48 -0.376 -3.121 -12.607 1.00 71.43 H new ATOM 763 N ASN A 49 6.456 -5.374 -9.458 1.00 13.33 N ATOM 764 CA ASN A 49 7.344 -5.760 -10.548 1.00 52.12 C ATOM 765 C ASN A 49 8.703 -6.201 -10.013 1.00 12.31 C ATOM 766 O ASN A 49 9.701 -6.180 -10.732 1.00 12.53 O ATOM 767 CB ASN A 49 7.521 -4.596 -11.526 1.00 22.24 C ATOM 768 CG ASN A 49 7.928 -3.313 -10.828 1.00 45.55 C ATOM 769 OD1 ASN A 49 7.089 -2.465 -10.524 1.00 31.20 O ATOM 770 ND2 ASN A 49 9.223 -3.163 -10.573 1.00 30.43 N ATOM 0 H ASN A 49 6.906 -4.835 -8.718 1.00 13.33 H new ATOM 0 HA ASN A 49 6.890 -6.601 -11.073 1.00 52.12 H new ATOM 0 HB2 ASN A 49 8.276 -4.859 -12.267 1.00 22.24 H new ATOM 0 HB3 ASN A 49 6.588 -4.433 -12.066 1.00 22.24 H new ATOM 0 HD21 ASN A 49 9.557 -2.319 -10.107 1.00 30.43 H new ATOM 0 HD22 ASN A 49 9.884 -3.892 -10.843 1.00 30.43 H new ATOM 777 N ASN A 50 8.732 -6.600 -8.746 1.00 22.34 N ATOM 778 CA ASN A 50 9.968 -7.046 -8.113 1.00 64.54 C ATOM 779 C ASN A 50 11.078 -6.017 -8.302 1.00 64.05 C ATOM 780 O ASN A 50 12.030 -6.245 -9.048 1.00 61.44 O ATOM 781 CB ASN A 50 10.404 -8.394 -8.692 1.00 33.54 C ATOM 782 CG ASN A 50 11.322 -9.156 -7.755 1.00 74.00 C ATOM 783 OD1 ASN A 50 11.732 -8.640 -6.715 1.00 62.42 O ATOM 784 ND2 ASN A 50 11.648 -10.390 -8.121 1.00 30.22 N ATOM 0 H ASN A 50 7.914 -6.624 -8.137 1.00 22.34 H new ATOM 0 HA ASN A 50 9.780 -7.160 -7.045 1.00 64.54 H new ATOM 0 HB2 ASN A 50 9.522 -8.998 -8.903 1.00 33.54 H new ATOM 0 HB3 ASN A 50 10.913 -8.231 -9.642 1.00 33.54 H new ATOM 0 HD21 ASN A 50 12.262 -10.951 -7.531 1.00 30.22 H new ATOM 0 HD22 ASN A 50 11.284 -10.777 -8.992 1.00 30.22 H new ATOM 791 N ALA A 51 10.949 -4.883 -7.621 1.00 30.51 N ATOM 792 CA ALA A 51 11.942 -3.820 -7.711 1.00 72.14 C ATOM 793 C ALA A 51 12.526 -3.496 -6.341 1.00 32.15 C ATOM 794 O ALA A 51 11.792 -3.308 -5.370 1.00 75.24 O ATOM 795 CB ALA A 51 11.326 -2.575 -8.333 1.00 25.02 C ATOM 0 H ALA A 51 10.166 -4.677 -7.001 1.00 30.51 H new ATOM 0 HA ALA A 51 12.754 -4.168 -8.349 1.00 72.14 H new ATOM 0 HB1 ALA A 51 12.078 -1.789 -8.394 1.00 25.02 H new ATOM 0 HB2 ALA A 51 10.964 -2.810 -9.334 1.00 25.02 H new ATOM 0 HB3 ALA A 51 10.494 -2.234 -7.717 1.00 25.02 H new ATOM 801 N VAL A 52 13.852 -3.433 -6.267 1.00 55.10 N ATOM 802 CA VAL A 52 14.534 -3.131 -5.015 1.00 22.25 C ATOM 803 C VAL A 52 15.154 -1.739 -5.048 1.00 10.20 C ATOM 804 O VAL A 52 15.747 -1.336 -6.049 1.00 1.12 O ATOM 805 CB VAL A 52 15.636 -4.164 -4.713 1.00 20.41 C ATOM 806 CG1 VAL A 52 16.609 -4.264 -5.878 1.00 54.31 C ATOM 807 CG2 VAL A 52 16.366 -3.804 -3.428 1.00 31.43 C ATOM 0 H VAL A 52 14.475 -3.587 -7.060 1.00 55.10 H new ATOM 0 HA VAL A 52 13.782 -3.172 -4.227 1.00 22.25 H new ATOM 0 HB VAL A 52 15.168 -5.139 -4.577 1.00 20.41 H new ATOM 0 HG11 VAL A 52 17.380 -4.999 -5.646 1.00 54.31 H new ATOM 0 HG12 VAL A 52 16.072 -4.573 -6.775 1.00 54.31 H new ATOM 0 HG13 VAL A 52 17.073 -3.293 -6.049 1.00 54.31 H new ATOM 0 HG21 VAL A 52 17.141 -4.544 -3.230 1.00 31.43 H new ATOM 0 HG22 VAL A 52 16.823 -2.820 -3.532 1.00 31.43 H new ATOM 0 HG23 VAL A 52 15.658 -3.789 -2.599 1.00 31.43 H new ATOM 817 N ASP A 53 15.013 -1.008 -3.948 1.00 31.04 N ATOM 818 CA ASP A 53 15.560 0.340 -3.850 1.00 4.14 C ATOM 819 C ASP A 53 16.716 0.386 -2.855 1.00 11.33 C ATOM 820 O ASP A 53 16.716 1.192 -1.924 1.00 13.14 O ATOM 821 CB ASP A 53 14.470 1.327 -3.430 1.00 0.10 C ATOM 822 CG ASP A 53 13.635 1.800 -4.603 1.00 54.23 C ATOM 823 OD1 ASP A 53 12.732 1.049 -5.031 1.00 5.42 O ATOM 824 OD2 ASP A 53 13.882 2.921 -5.094 1.00 3.44 O ATOM 0 H ASP A 53 14.524 -1.326 -3.111 1.00 31.04 H new ATOM 0 HA ASP A 53 15.937 0.625 -4.832 1.00 4.14 H new ATOM 0 HB2 ASP A 53 13.821 0.855 -2.693 1.00 0.10 H new ATOM 0 HB3 ASP A 53 14.930 2.188 -2.945 1.00 0.10 H new ATOM 829 N CYS A 54 17.699 -0.484 -3.057 1.00 65.02 N ATOM 830 CA CYS A 54 18.861 -0.545 -2.178 1.00 52.50 C ATOM 831 C CYS A 54 19.471 0.841 -1.987 1.00 64.12 C ATOM 832 O CYS A 54 19.509 1.647 -2.917 1.00 3.33 O ATOM 833 CB CYS A 54 19.909 -1.502 -2.748 1.00 41.24 C ATOM 834 SG CYS A 54 19.543 -3.263 -2.460 1.00 2.14 S ATOM 0 H CYS A 54 17.714 -1.158 -3.823 1.00 65.02 H new ATOM 0 HA CYS A 54 18.532 -0.915 -1.207 1.00 52.50 H new ATOM 0 HB2 CYS A 54 19.996 -1.331 -3.821 1.00 41.24 H new ATOM 0 HB3 CYS A 54 20.878 -1.267 -2.308 1.00 41.24 H new ATOM 839 N ASP A 55 19.948 1.109 -0.777 1.00 1.43 N ATOM 840 CA ASP A 55 20.558 2.396 -0.463 1.00 44.35 C ATOM 841 C ASP A 55 21.707 2.700 -1.420 1.00 41.22 C ATOM 842 O ASP A 55 22.743 2.033 -1.394 1.00 55.43 O ATOM 843 CB ASP A 55 21.064 2.407 0.980 1.00 41.10 C ATOM 844 CG ASP A 55 21.622 3.757 1.388 1.00 71.51 C ATOM 845 OD1 ASP A 55 20.922 4.772 1.192 1.00 51.35 O ATOM 846 OD2 ASP A 55 22.758 3.797 1.904 1.00 30.12 O ATOM 0 H ASP A 55 19.924 0.452 0.003 1.00 1.43 H new ATOM 0 HA ASP A 55 19.798 3.168 -0.579 1.00 44.35 H new ATOM 0 HB2 ASP A 55 20.248 2.137 1.650 1.00 41.10 H new ATOM 0 HB3 ASP A 55 21.837 1.647 1.097 1.00 41.10 H new TER 851 ASP A 55