USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 592 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 40 SER OG : rot -86:sc= 0.923 USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -66:sc= 0.934 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 42:sc= 0.0683 USER MOD Single : A 24 ASN : amide:sc= -1.06 K(o=-1.1,f=-3.7!) USER MOD Single : A 26 ASN : amide:sc= -0.0543 K(o=-0.054,f=-3.8!) USER MOD Single : A 28 GLN :FLIP amide:sc=-0.00796 F(o=-1.8,f=-0.008) USER MOD Single : A 38 MET CE :methyl -136:sc= -1.03 (180deg=-2.01) USER MOD Single : A 45 ASN : amide:sc= -0.0857 X(o=-0.086,f=-0.36) USER MOD Single : A 47 ASN : amide:sc= 0.326 X(o=0.33,f=0) USER MOD Single : A 55 GLN : amide:sc= 0.286 K(o=0.29,f=-0.63) USER MOD Single : A 63 LYS NZ :NH3+ -150:sc= 1.14 (180deg=0.487) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 32 N VAL A 3 -6.508 10.103 0.653 1.00 11.12 N ATOM 33 CA VAL A 3 -5.563 9.850 -0.443 1.00 65.34 C ATOM 34 C VAL A 3 -6.211 9.985 -1.828 1.00 5.20 C ATOM 35 O VAL A 3 -7.330 9.532 -2.056 1.00 73.00 O ATOM 36 CB VAL A 3 -4.924 8.448 -0.300 1.00 63.02 C ATOM 37 CG1 VAL A 3 -3.914 8.183 -1.419 1.00 12.31 C ATOM 38 CG2 VAL A 3 -4.263 8.312 1.068 1.00 32.23 C ATOM 0 HA VAL A 3 -4.790 10.615 -0.367 1.00 65.34 H new ATOM 0 HB VAL A 3 -5.713 7.701 -0.385 1.00 63.02 H new ATOM 0 HG11 VAL A 3 -3.482 7.190 -1.292 1.00 12.31 H new ATOM 0 HG12 VAL A 3 -4.417 8.238 -2.384 1.00 12.31 H new ATOM 0 HG13 VAL A 3 -3.122 8.931 -1.379 1.00 12.31 H new ATOM 0 HG21 VAL A 3 -3.816 7.322 1.159 1.00 32.23 H new ATOM 0 HG22 VAL A 3 -3.488 9.071 1.175 1.00 32.23 H new ATOM 0 HG23 VAL A 3 -5.012 8.445 1.849 1.00 32.23 H new ATOM 48 N GLU A 4 -5.485 10.616 -2.750 1.00 63.12 N ATOM 49 CA GLU A 4 -5.944 10.782 -4.134 1.00 53.32 C ATOM 50 C GLU A 4 -5.106 9.920 -5.099 1.00 10.11 C ATOM 51 O GLU A 4 -3.907 9.725 -4.886 1.00 30.34 O ATOM 52 CB GLU A 4 -5.858 12.262 -4.539 1.00 33.44 C ATOM 53 CG GLU A 4 -6.705 13.191 -3.672 1.00 4.22 C ATOM 54 CD GLU A 4 -6.589 14.647 -4.085 1.00 55.21 C ATOM 55 OE1 GLU A 4 -7.314 15.071 -5.007 1.00 35.33 O ATOM 56 OE2 GLU A 4 -5.768 15.378 -3.489 1.00 43.41 O ATOM 0 H GLU A 4 -4.569 11.025 -2.564 1.00 63.12 H new ATOM 0 HA GLU A 4 -6.981 10.452 -4.195 1.00 53.32 H new ATOM 0 HB2 GLU A 4 -4.817 12.582 -4.489 1.00 33.44 H new ATOM 0 HB3 GLU A 4 -6.173 12.363 -5.578 1.00 33.44 H new ATOM 0 HG2 GLU A 4 -7.749 12.883 -3.730 1.00 4.22 H new ATOM 0 HG3 GLU A 4 -6.400 13.088 -2.631 1.00 4.22 H new ATOM 63 N PRO A 5 -5.728 9.386 -6.173 1.00 21.44 N ATOM 64 CA PRO A 5 -5.031 8.528 -7.155 1.00 75.03 C ATOM 65 C PRO A 5 -3.825 9.217 -7.824 1.00 61.30 C ATOM 66 O PRO A 5 -3.937 10.320 -8.363 1.00 32.35 O ATOM 67 CB PRO A 5 -6.122 8.213 -8.195 1.00 10.40 C ATOM 68 CG PRO A 5 -7.411 8.434 -7.475 1.00 15.12 C ATOM 69 CD PRO A 5 -7.152 9.566 -6.518 1.00 2.14 C ATOM 0 HA PRO A 5 -4.605 7.646 -6.678 1.00 75.03 H new ATOM 0 HB2 PRO A 5 -6.038 8.864 -9.065 1.00 10.40 H new ATOM 0 HB3 PRO A 5 -6.041 7.187 -8.555 1.00 10.40 H new ATOM 0 HG2 PRO A 5 -8.211 8.685 -8.172 1.00 15.12 H new ATOM 0 HG3 PRO A 5 -7.722 7.535 -6.943 1.00 15.12 H new ATOM 0 HD2 PRO A 5 -7.336 10.536 -6.980 1.00 2.14 H new ATOM 0 HD3 PRO A 5 -7.792 9.505 -5.638 1.00 2.14 H new ATOM 77 N GLY A 6 -2.671 8.555 -7.780 1.00 60.11 N ATOM 78 CA GLY A 6 -1.461 9.078 -8.416 1.00 52.12 C ATOM 79 C GLY A 6 -0.523 9.814 -7.458 1.00 43.32 C ATOM 80 O GLY A 6 0.562 10.245 -7.856 1.00 11.02 O ATOM 0 H GLY A 6 -2.547 7.657 -7.312 1.00 60.11 H new ATOM 0 HA2 GLY A 6 -0.919 8.252 -8.876 1.00 52.12 H new ATOM 0 HA3 GLY A 6 -1.749 9.757 -9.219 1.00 52.12 H new ATOM 84 N LYS A 7 -0.923 9.952 -6.197 1.00 24.12 N ATOM 85 CA LYS A 7 -0.142 10.720 -5.216 1.00 14.23 C ATOM 86 C LYS A 7 0.934 9.881 -4.504 1.00 31.01 C ATOM 87 O LYS A 7 0.771 8.676 -4.287 1.00 43.23 O ATOM 88 CB LYS A 7 -1.083 11.341 -4.180 1.00 64.34 C ATOM 89 CG LYS A 7 -2.006 12.409 -4.754 1.00 0.24 C ATOM 90 CD LYS A 7 -1.216 13.560 -5.374 1.00 31.03 C ATOM 91 CE LYS A 7 -2.121 14.611 -5.998 1.00 62.44 C ATOM 92 NZ LYS A 7 -1.338 15.727 -6.590 1.00 72.25 N ATOM 0 H LYS A 7 -1.781 9.545 -5.825 1.00 24.12 H new ATOM 0 HA LYS A 7 0.383 11.498 -5.771 1.00 14.23 H new ATOM 0 HB2 LYS A 7 -1.688 10.552 -3.733 1.00 64.34 H new ATOM 0 HB3 LYS A 7 -0.488 11.780 -3.379 1.00 64.34 H new ATOM 0 HG2 LYS A 7 -2.654 11.963 -5.509 1.00 0.24 H new ATOM 0 HG3 LYS A 7 -2.653 12.794 -3.966 1.00 0.24 H new ATOM 0 HD2 LYS A 7 -0.596 14.026 -4.608 1.00 31.03 H new ATOM 0 HD3 LYS A 7 -0.542 13.167 -6.135 1.00 31.03 H new ATOM 0 HE2 LYS A 7 -2.737 14.149 -6.769 1.00 62.44 H new ATOM 0 HE3 LYS A 7 -2.799 15.004 -5.241 1.00 62.44 H new ATOM 0 HZ1 LYS A 7 -1.988 16.424 -7.006 1.00 72.25 H new ATOM 0 HZ2 LYS A 7 -0.769 16.183 -5.849 1.00 72.25 H new ATOM 0 HZ3 LYS A 7 -0.709 15.355 -7.330 1.00 72.25 H new ATOM 106 N PHE A 8 2.029 10.550 -4.134 1.00 53.54 N ATOM 107 CA PHE A 8 3.142 9.924 -3.406 1.00 21.41 C ATOM 108 C PHE A 8 2.928 10.006 -1.884 1.00 72.04 C ATOM 109 O PHE A 8 2.759 11.096 -1.330 1.00 23.30 O ATOM 110 CB PHE A 8 4.468 10.625 -3.760 1.00 60.33 C ATOM 111 CG PHE A 8 4.934 10.445 -5.190 1.00 1.22 C ATOM 112 CD1 PHE A 8 4.039 10.474 -6.250 1.00 32.43 C ATOM 113 CD2 PHE A 8 6.283 10.263 -5.469 1.00 52.02 C ATOM 114 CE1 PHE A 8 4.477 10.326 -7.551 1.00 31.53 C ATOM 115 CE2 PHE A 8 6.725 10.111 -6.770 1.00 33.22 C ATOM 116 CZ PHE A 8 5.821 10.142 -7.811 1.00 64.30 C ATOM 0 H PHE A 8 2.171 11.541 -4.329 1.00 53.54 H new ATOM 0 HA PHE A 8 3.182 8.876 -3.702 1.00 21.41 H new ATOM 0 HB2 PHE A 8 4.360 11.691 -3.562 1.00 60.33 H new ATOM 0 HB3 PHE A 8 5.246 10.254 -3.092 1.00 60.33 H new ATOM 0 HD1 PHE A 8 2.986 10.614 -6.055 1.00 32.43 H new ATOM 0 HD2 PHE A 8 6.996 10.240 -4.658 1.00 52.02 H new ATOM 0 HE1 PHE A 8 3.768 10.354 -8.366 1.00 31.53 H new ATOM 0 HE2 PHE A 8 7.777 9.968 -6.971 1.00 33.22 H new ATOM 0 HZ PHE A 8 6.164 10.023 -8.828 1.00 64.30 H new ATOM 126 N TYR A 9 2.953 8.861 -1.200 1.00 33.04 N ATOM 127 CA TYR A 9 2.824 8.835 0.266 1.00 0.41 C ATOM 128 C TYR A 9 3.713 7.762 0.913 1.00 23.01 C ATOM 129 O TYR A 9 4.204 6.846 0.254 1.00 73.14 O ATOM 130 CB TYR A 9 1.364 8.605 0.689 1.00 21.23 C ATOM 131 CG TYR A 9 0.436 9.779 0.423 1.00 24.41 C ATOM 132 CD1 TYR A 9 0.539 10.950 1.167 1.00 14.21 C ATOM 133 CD2 TYR A 9 -0.546 9.716 -0.561 1.00 42.23 C ATOM 134 CE1 TYR A 9 -0.305 12.019 0.937 1.00 65.21 C ATOM 135 CE2 TYR A 9 -1.394 10.782 -0.793 1.00 31.03 C ATOM 136 CZ TYR A 9 -1.270 11.931 -0.042 1.00 20.33 C ATOM 137 OH TYR A 9 -2.113 12.996 -0.270 1.00 30.44 O ATOM 0 H TYR A 9 3.061 7.942 -1.630 1.00 33.04 H new ATOM 0 HA TYR A 9 3.157 9.811 0.618 1.00 0.41 H new ATOM 0 HB2 TYR A 9 0.981 7.730 0.164 1.00 21.23 H new ATOM 0 HB3 TYR A 9 1.340 8.374 1.754 1.00 21.23 H new ATOM 0 HD1 TYR A 9 1.292 11.025 1.938 1.00 14.21 H new ATOM 0 HD2 TYR A 9 -0.647 8.819 -1.153 1.00 42.23 H new ATOM 0 HE1 TYR A 9 -0.209 12.921 1.523 1.00 65.21 H new ATOM 0 HE2 TYR A 9 -2.151 10.715 -1.560 1.00 31.03 H new ATOM 0 HH TYR A 9 -2.734 12.772 -0.994 1.00 30.44 H new ATOM 147 N LYS A 10 3.913 7.896 2.221 1.00 21.12 N ATOM 148 CA LYS A 10 4.624 6.891 3.020 1.00 13.45 C ATOM 149 C LYS A 10 3.682 6.298 4.073 1.00 32.31 C ATOM 150 O LYS A 10 2.848 7.011 4.637 1.00 34.25 O ATOM 151 CB LYS A 10 5.841 7.517 3.713 1.00 11.30 C ATOM 152 CG LYS A 10 6.680 6.512 4.503 1.00 61.52 C ATOM 153 CD LYS A 10 7.747 7.196 5.355 1.00 63.41 C ATOM 154 CE LYS A 10 8.702 8.040 4.518 1.00 34.31 C ATOM 155 NZ LYS A 10 9.728 8.703 5.363 1.00 31.23 N ATOM 0 H LYS A 10 3.590 8.700 2.759 1.00 21.12 H new ATOM 0 HA LYS A 10 4.967 6.100 2.353 1.00 13.45 H new ATOM 0 HB2 LYS A 10 6.471 7.993 2.962 1.00 11.30 H new ATOM 0 HB3 LYS A 10 5.500 8.303 4.387 1.00 11.30 H new ATOM 0 HG2 LYS A 10 6.027 5.922 5.146 1.00 61.52 H new ATOM 0 HG3 LYS A 10 7.159 5.818 3.812 1.00 61.52 H new ATOM 0 HD2 LYS A 10 7.264 7.829 6.100 1.00 63.41 H new ATOM 0 HD3 LYS A 10 8.314 6.440 5.898 1.00 63.41 H new ATOM 0 HE2 LYS A 10 9.192 7.409 3.777 1.00 34.31 H new ATOM 0 HE3 LYS A 10 8.137 8.795 3.971 1.00 34.31 H new ATOM 0 HZ1 LYS A 10 10.360 9.269 4.762 1.00 31.23 H new ATOM 0 HZ2 LYS A 10 9.260 9.324 6.054 1.00 31.23 H new ATOM 0 HZ3 LYS A 10 10.283 7.981 5.866 1.00 31.23 H new ATOM 169 N GLY A 11 3.809 5.003 4.335 1.00 60.32 N ATOM 170 CA GLY A 11 2.954 4.357 5.321 1.00 31.20 C ATOM 171 C GLY A 11 3.595 3.138 5.970 1.00 0.43 C ATOM 172 O GLY A 11 4.726 2.773 5.652 1.00 52.05 O ATOM 0 H GLY A 11 4.486 4.387 3.885 1.00 60.32 H new ATOM 0 HA2 GLY A 11 2.696 5.079 6.096 1.00 31.20 H new ATOM 0 HA3 GLY A 11 2.022 4.057 4.842 1.00 31.20 H new ATOM 176 N VAL A 12 2.859 2.494 6.872 1.00 22.32 N ATOM 177 CA VAL A 12 3.363 1.322 7.595 1.00 31.23 C ATOM 178 C VAL A 12 2.517 0.066 7.305 1.00 11.11 C ATOM 179 O VAL A 12 1.290 0.140 7.195 1.00 21.33 O ATOM 180 CB VAL A 12 3.398 1.591 9.123 1.00 21.43 C ATOM 181 CG1 VAL A 12 1.996 1.872 9.669 1.00 44.02 C ATOM 182 CG2 VAL A 12 4.054 0.429 9.861 1.00 32.21 C ATOM 0 H VAL A 12 1.908 2.763 7.123 1.00 22.32 H new ATOM 0 HA VAL A 12 4.377 1.138 7.241 1.00 31.23 H new ATOM 0 HB VAL A 12 4.001 2.483 9.294 1.00 21.43 H new ATOM 0 HG11 VAL A 12 2.054 2.057 10.742 1.00 44.02 H new ATOM 0 HG12 VAL A 12 1.581 2.749 9.172 1.00 44.02 H new ATOM 0 HG13 VAL A 12 1.354 1.011 9.483 1.00 44.02 H new ATOM 0 HG21 VAL A 12 4.068 0.639 10.931 1.00 32.21 H new ATOM 0 HG22 VAL A 12 3.488 -0.484 9.678 1.00 32.21 H new ATOM 0 HG23 VAL A 12 5.076 0.301 9.503 1.00 32.21 H new ATOM 192 N VAL A 13 3.183 -1.081 7.173 1.00 70.00 N ATOM 193 CA VAL A 13 2.507 -2.353 6.877 1.00 65.30 C ATOM 194 C VAL A 13 1.752 -2.907 8.103 1.00 64.43 C ATOM 195 O VAL A 13 2.330 -3.085 9.179 1.00 24.40 O ATOM 196 CB VAL A 13 3.516 -3.423 6.382 1.00 34.11 C ATOM 197 CG1 VAL A 13 2.808 -4.743 6.079 1.00 1.21 C ATOM 198 CG2 VAL A 13 4.277 -2.922 5.154 1.00 44.02 C ATOM 0 H VAL A 13 4.196 -1.160 7.266 1.00 70.00 H new ATOM 0 HA VAL A 13 1.785 -2.139 6.089 1.00 65.30 H new ATOM 0 HB VAL A 13 4.236 -3.602 7.180 1.00 34.11 H new ATOM 0 HG11 VAL A 13 3.537 -5.476 5.734 1.00 1.21 H new ATOM 0 HG12 VAL A 13 2.323 -5.111 6.983 1.00 1.21 H new ATOM 0 HG13 VAL A 13 2.058 -4.584 5.304 1.00 1.21 H new ATOM 0 HG21 VAL A 13 4.979 -3.688 4.824 1.00 44.02 H new ATOM 0 HG22 VAL A 13 3.571 -2.706 4.352 1.00 44.02 H new ATOM 0 HG23 VAL A 13 4.824 -2.015 5.410 1.00 44.02 H new ATOM 208 N THR A 14 0.462 -3.184 7.922 1.00 3.14 N ATOM 209 CA THR A 14 -0.389 -3.738 8.989 1.00 54.11 C ATOM 210 C THR A 14 -0.355 -5.273 9.002 1.00 42.03 C ATOM 211 O THR A 14 -0.198 -5.892 10.052 1.00 4.42 O ATOM 212 CB THR A 14 -1.860 -3.289 8.833 1.00 22.51 C ATOM 213 OG1 THR A 14 -2.392 -3.764 7.585 1.00 71.10 O ATOM 214 CG2 THR A 14 -1.975 -1.772 8.888 1.00 72.12 C ATOM 0 H THR A 14 -0.026 -3.034 7.039 1.00 3.14 H new ATOM 0 HA THR A 14 0.015 -3.356 9.927 1.00 54.11 H new ATOM 0 HB THR A 14 -2.431 -3.713 9.659 1.00 22.51 H new ATOM 0 HG1 THR A 14 -1.924 -3.327 6.843 1.00 71.10 H new ATOM 0 HG21 THR A 14 -3.020 -1.482 8.776 1.00 72.12 H new ATOM 0 HG22 THR A 14 -1.600 -1.413 9.846 1.00 72.12 H new ATOM 0 HG23 THR A 14 -1.388 -1.333 8.081 1.00 72.12 H new ATOM 222 N ARG A 15 -0.526 -5.879 7.829 1.00 63.41 N ATOM 223 CA ARG A 15 -0.456 -7.339 7.688 1.00 4.51 C ATOM 224 C ARG A 15 -0.104 -7.749 6.253 1.00 43.21 C ATOM 225 O ARG A 15 -0.428 -7.045 5.293 1.00 70.24 O ATOM 226 CB ARG A 15 -1.784 -7.993 8.108 1.00 42.20 C ATOM 227 CG ARG A 15 -3.009 -7.430 7.394 1.00 62.03 C ATOM 228 CD ARG A 15 -4.279 -8.200 7.757 1.00 25.21 C ATOM 229 NE ARG A 15 -4.400 -8.429 9.198 1.00 52.22 N ATOM 230 CZ ARG A 15 -4.682 -7.505 10.081 1.00 41.15 C ATOM 231 NH1 ARG A 15 -4.871 -6.274 9.723 1.00 61.22 N ATOM 232 NH2 ARG A 15 -4.768 -7.816 11.327 1.00 10.14 N ATOM 0 H ARG A 15 -0.715 -5.383 6.958 1.00 63.41 H new ATOM 0 HA ARG A 15 0.337 -7.690 8.348 1.00 4.51 H new ATOM 0 HB2 ARG A 15 -1.726 -9.064 7.916 1.00 42.20 H new ATOM 0 HB3 ARG A 15 -1.914 -7.868 9.183 1.00 42.20 H new ATOM 0 HG2 ARG A 15 -3.133 -6.379 7.657 1.00 62.03 H new ATOM 0 HG3 ARG A 15 -2.853 -7.472 6.316 1.00 62.03 H new ATOM 0 HD2 ARG A 15 -5.149 -7.646 7.406 1.00 25.21 H new ATOM 0 HD3 ARG A 15 -4.280 -9.159 7.238 1.00 25.21 H new ATOM 0 HE ARG A 15 -4.254 -9.379 9.539 1.00 52.22 H new ATOM 0 HH11 ARG A 15 -4.801 -6.012 8.740 1.00 61.22 H new ATOM 0 HH12 ARG A 15 -5.090 -5.567 10.425 1.00 61.22 H new ATOM 0 HH21 ARG A 15 -4.617 -8.780 11.624 1.00 10.14 H new ATOM 0 HH22 ARG A 15 -4.988 -7.098 12.018 1.00 10.14 H new ATOM 246 N ILE A 16 0.556 -8.897 6.119 1.00 13.34 N ATOM 247 CA ILE A 16 0.958 -9.421 4.810 1.00 15.43 C ATOM 248 C ILE A 16 -0.074 -10.431 4.284 1.00 33.40 C ATOM 249 O ILE A 16 -0.226 -11.524 4.835 1.00 30.33 O ATOM 250 CB ILE A 16 2.349 -10.105 4.881 1.00 1.42 C ATOM 251 CG1 ILE A 16 3.410 -9.127 5.422 1.00 43.33 C ATOM 252 CG2 ILE A 16 2.760 -10.647 3.509 1.00 25.40 C ATOM 253 CD1 ILE A 16 3.636 -7.913 4.543 1.00 64.21 C ATOM 0 H ILE A 16 0.827 -9.488 6.905 1.00 13.34 H new ATOM 0 HA ILE A 16 1.014 -8.573 4.127 1.00 15.43 H new ATOM 0 HB ILE A 16 2.278 -10.947 5.570 1.00 1.42 H new ATOM 0 HG12 ILE A 16 3.108 -8.793 6.415 1.00 43.33 H new ATOM 0 HG13 ILE A 16 4.354 -9.659 5.538 1.00 43.33 H new ATOM 0 HG21 ILE A 16 3.738 -11.122 3.584 1.00 25.40 H new ATOM 0 HG22 ILE A 16 2.026 -11.379 3.172 1.00 25.40 H new ATOM 0 HG23 ILE A 16 2.809 -9.826 2.793 1.00 25.40 H new ATOM 0 HD11 ILE A 16 4.396 -7.275 4.993 1.00 64.21 H new ATOM 0 HD12 ILE A 16 3.970 -8.235 3.557 1.00 64.21 H new ATOM 0 HD13 ILE A 16 2.705 -7.355 4.447 1.00 64.21 H new ATOM 265 N GLU A 17 -0.785 -10.057 3.227 1.00 21.41 N ATOM 266 CA GLU A 17 -1.782 -10.934 2.601 1.00 1.23 C ATOM 267 C GLU A 17 -1.179 -11.685 1.408 1.00 3.13 C ATOM 268 O GLU A 17 -0.214 -11.229 0.792 1.00 22.14 O ATOM 269 CB GLU A 17 -2.995 -10.113 2.134 1.00 3.14 C ATOM 270 CG GLU A 17 -3.789 -9.471 3.265 1.00 74.33 C ATOM 271 CD GLU A 17 -4.529 -10.489 4.115 1.00 42.41 C ATOM 272 OE1 GLU A 17 -5.586 -10.982 3.667 1.00 12.44 O ATOM 273 OE2 GLU A 17 -4.055 -10.810 5.224 1.00 22.53 O ATOM 0 H GLU A 17 -0.692 -9.146 2.778 1.00 21.41 H new ATOM 0 HA GLU A 17 -2.104 -11.663 3.345 1.00 1.23 H new ATOM 0 HB2 GLU A 17 -2.651 -9.331 1.457 1.00 3.14 H new ATOM 0 HB3 GLU A 17 -3.659 -10.761 1.561 1.00 3.14 H new ATOM 0 HG2 GLU A 17 -3.112 -8.898 3.899 1.00 74.33 H new ATOM 0 HG3 GLU A 17 -4.506 -8.765 2.845 1.00 74.33 H new ATOM 280 N LYS A 18 -1.776 -12.820 1.059 1.00 22.40 N ATOM 281 CA LYS A 18 -1.293 -13.641 -0.060 1.00 31.35 C ATOM 282 C LYS A 18 -1.678 -13.038 -1.424 1.00 55.44 C ATOM 283 O LYS A 18 -1.522 -13.673 -2.467 1.00 24.44 O ATOM 284 CB LYS A 18 -1.824 -15.075 0.086 1.00 10.52 C ATOM 285 CG LYS A 18 -1.292 -15.778 1.336 1.00 24.40 C ATOM 286 CD LYS A 18 -1.840 -17.193 1.503 1.00 11.51 C ATOM 287 CE LYS A 18 -3.340 -17.201 1.776 1.00 32.44 C ATOM 288 NZ LYS A 18 -3.829 -18.558 2.143 1.00 21.55 N ATOM 0 H LYS A 18 -2.597 -13.198 1.532 1.00 22.40 H new ATOM 0 HA LYS A 18 -0.204 -13.661 -0.026 1.00 31.35 H new ATOM 0 HB2 LYS A 18 -2.913 -15.053 0.123 1.00 10.52 H new ATOM 0 HB3 LYS A 18 -1.547 -15.652 -0.796 1.00 10.52 H new ATOM 0 HG2 LYS A 18 -0.204 -15.819 1.288 1.00 24.40 H new ATOM 0 HG3 LYS A 18 -1.550 -15.188 2.216 1.00 24.40 H new ATOM 0 HD2 LYS A 18 -1.633 -17.770 0.601 1.00 11.51 H new ATOM 0 HD3 LYS A 18 -1.320 -17.688 2.324 1.00 11.51 H new ATOM 0 HE2 LYS A 18 -3.566 -16.503 2.582 1.00 32.44 H new ATOM 0 HE3 LYS A 18 -3.872 -16.850 0.892 1.00 32.44 H new ATOM 0 HZ1 LYS A 18 -4.853 -18.522 2.321 1.00 21.55 H new ATOM 0 HZ2 LYS A 18 -3.636 -19.219 1.364 1.00 21.55 H new ATOM 0 HZ3 LYS A 18 -3.340 -18.883 3.001 1.00 21.55 H new ATOM 302 N TYR A 19 -2.171 -11.801 -1.402 1.00 34.53 N ATOM 303 CA TYR A 19 -2.492 -11.055 -2.630 1.00 13.42 C ATOM 304 C TYR A 19 -2.005 -9.594 -2.545 1.00 11.11 C ATOM 305 O TYR A 19 -2.322 -8.773 -3.409 1.00 62.14 O ATOM 306 CB TYR A 19 -4.006 -11.100 -2.900 1.00 41.04 C ATOM 307 CG TYR A 19 -4.862 -10.630 -1.736 1.00 14.42 C ATOM 308 CD1 TYR A 19 -5.248 -11.512 -0.732 1.00 51.03 C ATOM 309 CD2 TYR A 19 -5.286 -9.306 -1.642 1.00 74.11 C ATOM 310 CE1 TYR A 19 -6.028 -11.091 0.327 1.00 43.05 C ATOM 311 CE2 TYR A 19 -6.066 -8.880 -0.584 1.00 1.45 C ATOM 312 CZ TYR A 19 -6.433 -9.775 0.397 1.00 44.15 C ATOM 313 OH TYR A 19 -7.210 -9.354 1.455 1.00 21.32 O ATOM 0 H TYR A 19 -2.360 -11.286 -0.542 1.00 34.53 H new ATOM 0 HA TYR A 19 -1.969 -11.533 -3.459 1.00 13.42 H new ATOM 0 HB2 TYR A 19 -4.227 -10.483 -3.771 1.00 41.04 H new ATOM 0 HB3 TYR A 19 -4.288 -12.122 -3.154 1.00 41.04 H new ATOM 0 HD1 TYR A 19 -4.932 -12.544 -0.782 1.00 51.03 H new ATOM 0 HD2 TYR A 19 -5.000 -8.601 -2.409 1.00 74.11 H new ATOM 0 HE1 TYR A 19 -6.320 -11.790 1.097 1.00 43.05 H new ATOM 0 HE2 TYR A 19 -6.386 -7.850 -0.526 1.00 1.45 H new ATOM 0 HH TYR A 19 -6.876 -9.753 2.285 1.00 21.32 H new ATOM 323 N GLY A 20 -1.225 -9.282 -1.508 1.00 12.12 N ATOM 324 CA GLY A 20 -0.728 -7.921 -1.308 1.00 61.02 C ATOM 325 C GLY A 20 -0.512 -7.580 0.165 1.00 63.43 C ATOM 326 O GLY A 20 -0.774 -8.396 1.041 1.00 3.13 O ATOM 0 H GLY A 20 -0.926 -9.950 -0.798 1.00 12.12 H new ATOM 0 HA2 GLY A 20 0.212 -7.800 -1.846 1.00 61.02 H new ATOM 0 HA3 GLY A 20 -1.436 -7.214 -1.740 1.00 61.02 H new ATOM 330 N ALA A 21 -0.029 -6.375 0.448 1.00 4.00 N ATOM 331 CA ALA A 21 0.179 -5.939 1.839 1.00 61.12 C ATOM 332 C ALA A 21 -0.632 -4.676 2.163 1.00 31.01 C ATOM 333 O ALA A 21 -0.519 -3.665 1.473 1.00 53.22 O ATOM 334 CB ALA A 21 1.661 -5.690 2.095 1.00 13.24 C ATOM 0 H ALA A 21 0.226 -5.682 -0.256 1.00 4.00 H new ATOM 0 HA ALA A 21 -0.171 -6.737 2.494 1.00 61.12 H new ATOM 0 HB1 ALA A 21 1.803 -5.368 3.127 1.00 13.24 H new ATOM 0 HB2 ALA A 21 2.220 -6.610 1.922 1.00 13.24 H new ATOM 0 HB3 ALA A 21 2.021 -4.914 1.420 1.00 13.24 H new ATOM 340 N PHE A 22 -1.441 -4.731 3.222 1.00 64.43 N ATOM 341 CA PHE A 22 -2.247 -3.571 3.629 1.00 31.03 C ATOM 342 C PHE A 22 -1.402 -2.540 4.394 1.00 25.25 C ATOM 343 O PHE A 22 -0.858 -2.833 5.459 1.00 64.03 O ATOM 344 CB PHE A 22 -3.452 -4.009 4.477 1.00 63.31 C ATOM 345 CG PHE A 22 -4.570 -4.625 3.669 1.00 23.24 C ATOM 346 CD1 PHE A 22 -5.568 -3.825 3.123 1.00 41.11 C ATOM 347 CD2 PHE A 22 -4.626 -5.993 3.453 1.00 74.31 C ATOM 348 CE1 PHE A 22 -6.596 -4.379 2.382 1.00 64.41 C ATOM 349 CE2 PHE A 22 -5.652 -6.549 2.713 1.00 62.00 C ATOM 350 CZ PHE A 22 -6.636 -5.743 2.177 1.00 23.43 C ATOM 0 H PHE A 22 -1.558 -5.556 3.811 1.00 64.43 H new ATOM 0 HA PHE A 22 -2.617 -3.097 2.720 1.00 31.03 H new ATOM 0 HB2 PHE A 22 -3.117 -4.728 5.225 1.00 63.31 H new ATOM 0 HB3 PHE A 22 -3.839 -3.145 5.017 1.00 63.31 H new ATOM 0 HD1 PHE A 22 -5.540 -2.757 3.280 1.00 41.11 H new ATOM 0 HD2 PHE A 22 -3.860 -6.631 3.867 1.00 74.31 H new ATOM 0 HE1 PHE A 22 -7.365 -3.746 1.965 1.00 64.41 H new ATOM 0 HE2 PHE A 22 -5.684 -7.617 2.554 1.00 62.00 H new ATOM 0 HZ PHE A 22 -7.436 -6.179 1.598 1.00 23.43 H new ATOM 360 N ILE A 23 -1.313 -1.328 3.845 1.00 71.24 N ATOM 361 CA ILE A 23 -0.469 -0.266 4.412 1.00 61.42 C ATOM 362 C ILE A 23 -1.301 0.953 4.853 1.00 74.42 C ATOM 363 O ILE A 23 -2.150 1.440 4.105 1.00 4.52 O ATOM 364 CB ILE A 23 0.598 0.189 3.379 1.00 11.33 C ATOM 365 CG1 ILE A 23 1.522 -0.984 3.010 1.00 63.23 C ATOM 366 CG2 ILE A 23 1.411 1.368 3.912 1.00 13.21 C ATOM 367 CD1 ILE A 23 2.598 -0.629 2.003 1.00 53.31 C ATOM 0 H ILE A 23 -1.817 -1.052 3.002 1.00 71.24 H new ATOM 0 HA ILE A 23 0.022 -0.682 5.291 1.00 61.42 H new ATOM 0 HB ILE A 23 0.080 0.519 2.479 1.00 11.33 H new ATOM 0 HG12 ILE A 23 1.997 -1.358 3.917 1.00 63.23 H new ATOM 0 HG13 ILE A 23 0.917 -1.797 2.608 1.00 63.23 H new ATOM 0 HG21 ILE A 23 2.150 1.666 3.169 1.00 13.21 H new ATOM 0 HG22 ILE A 23 0.745 2.206 4.117 1.00 13.21 H new ATOM 0 HG23 ILE A 23 1.918 1.074 4.831 1.00 13.21 H new ATOM 0 HD11 ILE A 23 3.207 -1.509 1.796 1.00 53.31 H new ATOM 0 HD12 ILE A 23 2.133 -0.284 1.080 1.00 53.31 H new ATOM 0 HD13 ILE A 23 3.229 0.162 2.409 1.00 53.31 H new ATOM 379 N ASN A 24 -1.053 1.445 6.067 1.00 32.24 N ATOM 380 CA ASN A 24 -1.732 2.649 6.566 1.00 74.10 C ATOM 381 C ASN A 24 -0.911 3.914 6.281 1.00 70.14 C ATOM 382 O ASN A 24 0.218 4.056 6.754 1.00 12.10 O ATOM 383 CB ASN A 24 -1.999 2.557 8.074 1.00 41.33 C ATOM 384 CG ASN A 24 -3.020 1.497 8.437 1.00 14.53 C ATOM 385 OD1 ASN A 24 -3.839 1.097 7.621 1.00 11.41 O ATOM 386 ND2 ASN A 24 -3.004 1.058 9.679 1.00 13.21 N ATOM 0 H ASN A 24 -0.390 1.033 6.724 1.00 32.24 H new ATOM 0 HA ASN A 24 -2.683 2.713 6.037 1.00 74.10 H new ATOM 0 HB2 ASN A 24 -1.063 2.342 8.590 1.00 41.33 H new ATOM 0 HB3 ASN A 24 -2.346 3.525 8.434 1.00 41.33 H new ATOM 0 HD21 ASN A 24 -3.687 0.365 9.984 1.00 13.21 H new ATOM 0 HD22 ASN A 24 -2.308 1.411 10.336 1.00 13.21 H new ATOM 393 N LEU A 25 -1.490 4.832 5.509 1.00 71.33 N ATOM 394 CA LEU A 25 -0.856 6.131 5.235 1.00 61.55 C ATOM 395 C LEU A 25 -1.250 7.170 6.297 1.00 1.11 C ATOM 396 O LEU A 25 -0.614 8.217 6.430 1.00 24.13 O ATOM 397 CB LEU A 25 -1.268 6.653 3.852 1.00 70.10 C ATOM 398 CG LEU A 25 -0.935 5.742 2.659 1.00 14.24 C ATOM 399 CD1 LEU A 25 -1.355 6.409 1.354 1.00 30.14 C ATOM 400 CD2 LEU A 25 0.552 5.391 2.636 1.00 33.23 C ATOM 0 H LEU A 25 -2.397 4.705 5.060 1.00 71.33 H new ATOM 0 HA LEU A 25 0.223 5.981 5.262 1.00 61.55 H new ATOM 0 HB2 LEU A 25 -2.343 6.830 3.859 1.00 70.10 H new ATOM 0 HB3 LEU A 25 -0.787 7.618 3.692 1.00 70.10 H new ATOM 0 HG LEU A 25 -1.494 4.813 2.769 1.00 14.24 H new ATOM 0 HD11 LEU A 25 -1.114 5.754 0.517 1.00 30.14 H new ATOM 0 HD12 LEU A 25 -2.429 6.597 1.370 1.00 30.14 H new ATOM 0 HD13 LEU A 25 -0.823 7.354 1.241 1.00 30.14 H new ATOM 0 HD21 LEU A 25 0.760 4.746 1.782 1.00 33.23 H new ATOM 0 HD22 LEU A 25 1.140 6.305 2.552 1.00 33.23 H new ATOM 0 HD23 LEU A 25 0.818 4.872 3.557 1.00 33.23 H new ATOM 412 N ASN A 26 -2.319 6.868 7.027 1.00 2.35 N ATOM 413 CA ASN A 26 -2.868 7.762 8.050 1.00 33.23 C ATOM 414 C ASN A 26 -3.693 6.950 9.060 1.00 55.11 C ATOM 415 O ASN A 26 -4.086 5.816 8.777 1.00 52.32 O ATOM 416 CB ASN A 26 -3.734 8.843 7.375 1.00 60.31 C ATOM 417 CG ASN A 26 -4.377 9.816 8.354 1.00 31.44 C ATOM 418 OD1 ASN A 26 -3.851 10.078 9.431 1.00 44.25 O ATOM 419 ND2 ASN A 26 -5.522 10.360 7.988 1.00 42.32 N ATOM 0 H ASN A 26 -2.834 5.993 6.928 1.00 2.35 H new ATOM 0 HA ASN A 26 -2.056 8.252 8.587 1.00 33.23 H new ATOM 0 HB2 ASN A 26 -3.117 9.403 6.673 1.00 60.31 H new ATOM 0 HB3 ASN A 26 -4.517 8.357 6.793 1.00 60.31 H new ATOM 0 HD21 ASN A 26 -5.995 11.018 8.607 1.00 42.32 H new ATOM 0 HD22 ASN A 26 -5.934 10.122 7.086 1.00 42.32 H new ATOM 426 N GLU A 27 -3.955 7.523 10.228 1.00 53.02 N ATOM 427 CA GLU A 27 -4.735 6.846 11.268 1.00 34.32 C ATOM 428 C GLU A 27 -6.095 6.356 10.737 1.00 53.43 C ATOM 429 O GLU A 27 -6.584 5.299 11.138 1.00 64.03 O ATOM 430 CB GLU A 27 -4.942 7.784 12.464 1.00 32.51 C ATOM 431 CG GLU A 27 -5.713 7.149 13.616 1.00 51.43 C ATOM 432 CD GLU A 27 -5.798 8.051 14.836 1.00 54.43 C ATOM 433 OE1 GLU A 27 -4.884 7.996 15.684 1.00 30.31 O ATOM 434 OE2 GLU A 27 -6.779 8.820 14.948 1.00 24.44 O ATOM 0 H GLU A 27 -3.639 8.459 10.484 1.00 53.02 H new ATOM 0 HA GLU A 27 -4.171 5.969 11.587 1.00 34.32 H new ATOM 0 HB2 GLU A 27 -3.969 8.114 12.828 1.00 32.51 H new ATOM 0 HB3 GLU A 27 -5.475 8.674 12.129 1.00 32.51 H new ATOM 0 HG2 GLU A 27 -6.721 6.903 13.281 1.00 51.43 H new ATOM 0 HG3 GLU A 27 -5.232 6.212 13.896 1.00 51.43 H new ATOM 441 N GLN A 28 -6.701 7.125 9.831 1.00 12.25 N ATOM 442 CA GLN A 28 -8.011 6.768 9.259 1.00 45.44 C ATOM 443 C GLN A 28 -7.906 6.359 7.773 1.00 34.25 C ATOM 444 O GLN A 28 -8.907 6.348 7.056 1.00 11.14 O ATOM 445 CB GLN A 28 -8.980 7.953 9.417 1.00 41.00 C ATOM 446 CG GLN A 28 -9.178 8.400 10.865 1.00 44.01 C ATOM 447 CD GLN A 28 -9.837 7.335 11.729 1.00 73.41 C ATOM 448 OE1 GLN A 28 -9.043 6.451 12.304 1.00 13.43 O flip ATOM 449 NE2 GLN A 28 -11.056 7.296 11.873 1.00 51.32 N flip ATOM 0 H GLN A 28 -6.311 7.998 9.475 1.00 12.25 H new ATOM 0 HA GLN A 28 -8.390 5.903 9.804 1.00 45.44 H new ATOM 0 HB2 GLN A 28 -8.607 8.795 8.834 1.00 41.00 H new ATOM 0 HB3 GLN A 28 -9.947 7.678 8.996 1.00 41.00 H new ATOM 0 HG2 GLN A 28 -8.211 8.662 11.294 1.00 44.01 H new ATOM 0 HG3 GLN A 28 -9.789 9.303 10.881 1.00 44.01 H new ATOM 0 HE21 GLN A 28 -11.646 7.992 11.417 1.00 51.32 H new ATOM 0 HE22 GLN A 28 -11.478 6.568 12.449 1.00 51.32 H new ATOM 458 N VAL A 29 -6.700 6.000 7.319 1.00 53.23 N ATOM 459 CA VAL A 29 -6.488 5.610 5.911 1.00 62.12 C ATOM 460 C VAL A 29 -5.675 4.310 5.788 1.00 72.35 C ATOM 461 O VAL A 29 -4.562 4.204 6.307 1.00 30.33 O ATOM 462 CB VAL A 29 -5.770 6.723 5.105 1.00 12.43 C ATOM 463 CG1 VAL A 29 -5.485 6.261 3.676 1.00 50.04 C ATOM 464 CG2 VAL A 29 -6.594 8.009 5.104 1.00 74.32 C ATOM 0 H VAL A 29 -5.860 5.970 7.896 1.00 53.23 H new ATOM 0 HA VAL A 29 -7.483 5.449 5.496 1.00 62.12 H new ATOM 0 HB VAL A 29 -4.817 6.931 5.591 1.00 12.43 H new ATOM 0 HG11 VAL A 29 -4.981 7.058 3.130 1.00 50.04 H new ATOM 0 HG12 VAL A 29 -4.847 5.378 3.700 1.00 50.04 H new ATOM 0 HG13 VAL A 29 -6.424 6.017 3.178 1.00 50.04 H new ATOM 0 HG21 VAL A 29 -6.071 8.776 4.533 1.00 74.32 H new ATOM 0 HG22 VAL A 29 -7.566 7.818 4.650 1.00 74.32 H new ATOM 0 HG23 VAL A 29 -6.734 8.352 6.129 1.00 74.32 H new ATOM 474 N ARG A 30 -6.237 3.345 5.063 1.00 4.35 N ATOM 475 CA ARG A 30 -5.622 2.028 4.860 1.00 1.43 C ATOM 476 C ARG A 30 -5.733 1.591 3.383 1.00 14.43 C ATOM 477 O ARG A 30 -6.796 1.705 2.774 1.00 74.23 O ATOM 478 CB ARG A 30 -6.304 1.002 5.790 1.00 51.11 C ATOM 479 CG ARG A 30 -6.073 -0.466 5.412 1.00 53.33 C ATOM 480 CD ARG A 30 -7.372 -1.151 4.987 1.00 53.32 C ATOM 481 NE ARG A 30 -8.094 -0.376 3.977 1.00 44.22 N ATOM 482 CZ ARG A 30 -8.994 -0.860 3.171 1.00 41.43 C ATOM 483 NH1 ARG A 30 -9.321 -2.113 3.217 1.00 21.34 N ATOM 484 NH2 ARG A 30 -9.570 -0.076 2.319 1.00 12.35 N ATOM 0 H ARG A 30 -7.137 3.452 4.596 1.00 4.35 H new ATOM 0 HA ARG A 30 -4.561 2.085 5.105 1.00 1.43 H new ATOM 0 HB2 ARG A 30 -5.945 1.161 6.807 1.00 51.11 H new ATOM 0 HB3 ARG A 30 -7.377 1.196 5.796 1.00 51.11 H new ATOM 0 HG2 ARG A 30 -5.349 -0.523 4.599 1.00 53.33 H new ATOM 0 HG3 ARG A 30 -5.642 -0.997 6.261 1.00 53.33 H new ATOM 0 HD2 ARG A 30 -7.147 -2.142 4.592 1.00 53.32 H new ATOM 0 HD3 ARG A 30 -8.010 -1.293 5.860 1.00 53.32 H new ATOM 0 HE ARG A 30 -7.876 0.617 3.899 1.00 44.22 H new ATOM 0 HH11 ARG A 30 -8.871 -2.733 3.891 1.00 21.34 H new ATOM 0 HH12 ARG A 30 -10.028 -2.479 2.580 1.00 21.34 H new ATOM 0 HH21 ARG A 30 -9.318 0.912 2.283 1.00 12.35 H new ATOM 0 HH22 ARG A 30 -10.277 -0.445 1.683 1.00 12.35 H new ATOM 498 N GLY A 31 -4.637 1.089 2.814 1.00 73.41 N ATOM 499 CA GLY A 31 -4.647 0.659 1.414 1.00 51.10 C ATOM 500 C GLY A 31 -4.011 -0.709 1.194 1.00 14.22 C ATOM 501 O GLY A 31 -3.713 -1.422 2.149 1.00 52.41 O ATOM 0 H GLY A 31 -3.743 0.971 3.291 1.00 73.41 H new ATOM 0 HA2 GLY A 31 -5.677 0.634 1.057 1.00 51.10 H new ATOM 0 HA3 GLY A 31 -4.119 1.398 0.811 1.00 51.10 H new ATOM 505 N LEU A 32 -3.787 -1.066 -0.068 1.00 23.11 N ATOM 506 CA LEU A 32 -3.262 -2.390 -0.426 1.00 22.34 C ATOM 507 C LEU A 32 -2.134 -2.286 -1.470 1.00 41.54 C ATOM 508 O LEU A 32 -2.327 -1.753 -2.559 1.00 31.54 O ATOM 509 CB LEU A 32 -4.400 -3.270 -0.970 1.00 22.45 C ATOM 510 CG LEU A 32 -4.000 -4.704 -1.364 1.00 33.20 C ATOM 511 CD1 LEU A 32 -3.478 -5.473 -0.153 1.00 63.51 C ATOM 512 CD2 LEU A 32 -5.180 -5.437 -2.006 1.00 20.23 C ATOM 0 H LEU A 32 -3.961 -0.456 -0.867 1.00 23.11 H new ATOM 0 HA LEU A 32 -2.845 -2.843 0.473 1.00 22.34 H new ATOM 0 HB2 LEU A 32 -5.185 -3.325 -0.216 1.00 22.45 H new ATOM 0 HB3 LEU A 32 -4.830 -2.779 -1.843 1.00 22.45 H new ATOM 0 HG LEU A 32 -3.197 -4.644 -2.098 1.00 33.20 H new ATOM 0 HD11 LEU A 32 -3.202 -6.483 -0.455 1.00 63.51 H new ATOM 0 HD12 LEU A 32 -2.604 -4.963 0.252 1.00 63.51 H new ATOM 0 HD13 LEU A 32 -4.255 -5.522 0.609 1.00 63.51 H new ATOM 0 HD21 LEU A 32 -4.876 -6.448 -2.277 1.00 20.23 H new ATOM 0 HD22 LEU A 32 -6.008 -5.484 -1.298 1.00 20.23 H new ATOM 0 HD23 LEU A 32 -5.498 -4.902 -2.901 1.00 20.23 H new ATOM 524 N LEU A 33 -0.961 -2.807 -1.125 1.00 72.20 N ATOM 525 CA LEU A 33 0.205 -2.804 -2.019 1.00 42.21 C ATOM 526 C LEU A 33 0.290 -4.119 -2.819 1.00 40.12 C ATOM 527 O LEU A 33 0.334 -5.204 -2.237 1.00 20.42 O ATOM 528 CB LEU A 33 1.477 -2.590 -1.180 1.00 54.14 C ATOM 529 CG LEU A 33 2.814 -2.652 -1.938 1.00 74.00 C ATOM 530 CD1 LEU A 33 2.860 -1.623 -3.066 1.00 31.02 C ATOM 531 CD2 LEU A 33 3.976 -2.448 -0.968 1.00 60.23 C ATOM 0 H LEU A 33 -0.786 -3.244 -0.220 1.00 72.20 H new ATOM 0 HA LEU A 33 0.105 -1.992 -2.739 1.00 42.21 H new ATOM 0 HB2 LEU A 33 1.405 -1.618 -0.693 1.00 54.14 H new ATOM 0 HB3 LEU A 33 1.496 -3.342 -0.391 1.00 54.14 H new ATOM 0 HG LEU A 33 2.905 -3.639 -2.392 1.00 74.00 H new ATOM 0 HD11 LEU A 33 3.817 -1.692 -3.583 1.00 31.02 H new ATOM 0 HD12 LEU A 33 2.052 -1.820 -3.771 1.00 31.02 H new ATOM 0 HD13 LEU A 33 2.743 -0.622 -2.650 1.00 31.02 H new ATOM 0 HD21 LEU A 33 4.918 -2.494 -1.514 1.00 60.23 H new ATOM 0 HD22 LEU A 33 3.882 -1.474 -0.487 1.00 60.23 H new ATOM 0 HD23 LEU A 33 3.958 -3.230 -0.209 1.00 60.23 H new ATOM 543 N ARG A 34 0.315 -4.012 -4.149 1.00 21.15 N ATOM 544 CA ARG A 34 0.289 -5.192 -5.027 1.00 71.42 C ATOM 545 C ARG A 34 1.688 -5.802 -5.246 1.00 42.31 C ATOM 546 O ARG A 34 2.685 -5.085 -5.305 1.00 12.21 O ATOM 547 CB ARG A 34 -0.315 -4.822 -6.386 1.00 42.43 C ATOM 548 CG ARG A 34 -1.775 -4.386 -6.333 1.00 52.44 C ATOM 549 CD ARG A 34 -2.305 -4.069 -7.729 1.00 43.42 C ATOM 550 NE ARG A 34 -3.726 -3.747 -7.723 1.00 15.20 N ATOM 551 CZ ARG A 34 -4.429 -3.524 -8.798 1.00 52.13 C ATOM 552 NH1 ARG A 34 -3.872 -3.528 -9.968 1.00 60.12 N ATOM 553 NH2 ARG A 34 -5.690 -3.274 -8.695 1.00 51.33 N ATOM 0 H ARG A 34 0.353 -3.122 -4.645 1.00 21.15 H new ATOM 0 HA ARG A 34 -0.325 -5.941 -4.527 1.00 71.42 H new ATOM 0 HB2 ARG A 34 0.275 -4.017 -6.824 1.00 42.43 H new ATOM 0 HB3 ARG A 34 -0.229 -5.680 -7.053 1.00 42.43 H new ATOM 0 HG2 ARG A 34 -2.377 -5.175 -5.883 1.00 52.44 H new ATOM 0 HG3 ARG A 34 -1.872 -3.507 -5.695 1.00 52.44 H new ATOM 0 HD2 ARG A 34 -1.747 -3.230 -8.145 1.00 43.42 H new ATOM 0 HD3 ARG A 34 -2.131 -4.923 -8.383 1.00 43.42 H new ATOM 0 HE ARG A 34 -4.200 -3.693 -6.822 1.00 15.20 H new ATOM 0 HH11 ARG A 34 -2.872 -3.707 -10.056 1.00 60.12 H new ATOM 0 HH12 ARG A 34 -4.434 -3.352 -10.801 1.00 60.12 H new ATOM 0 HH21 ARG A 34 -6.132 -3.252 -7.776 1.00 51.33 H new ATOM 0 HH22 ARG A 34 -6.245 -3.099 -9.532 1.00 51.33 H new ATOM 567 N PRO A 35 1.771 -7.144 -5.402 1.00 43.03 N ATOM 568 CA PRO A 35 3.049 -7.842 -5.644 1.00 74.32 C ATOM 569 C PRO A 35 3.710 -7.444 -6.977 1.00 33.24 C ATOM 570 O PRO A 35 4.922 -7.243 -7.052 1.00 2.51 O ATOM 571 CB PRO A 35 2.664 -9.334 -5.679 1.00 10.03 C ATOM 572 CG PRO A 35 1.278 -9.419 -5.125 1.00 12.33 C ATOM 573 CD PRO A 35 0.632 -8.079 -5.351 1.00 20.34 C ATOM 0 HA PRO A 35 3.779 -7.590 -4.874 1.00 74.32 H new ATOM 0 HB2 PRO A 35 2.701 -9.722 -6.697 1.00 10.03 H new ATOM 0 HB3 PRO A 35 3.358 -9.929 -5.086 1.00 10.03 H new ATOM 0 HG2 PRO A 35 0.712 -10.208 -5.620 1.00 12.33 H new ATOM 0 HG3 PRO A 35 1.301 -9.662 -4.063 1.00 12.33 H new ATOM 0 HD2 PRO A 35 0.059 -8.062 -6.278 1.00 20.34 H new ATOM 0 HD3 PRO A 35 -0.057 -7.826 -4.545 1.00 20.34 H new ATOM 581 N ARG A 36 2.897 -7.337 -8.026 1.00 24.13 N ATOM 582 CA ARG A 36 3.398 -7.057 -9.381 1.00 4.33 C ATOM 583 C ARG A 36 3.944 -5.627 -9.516 1.00 21.40 C ATOM 584 O ARG A 36 4.730 -5.332 -10.421 1.00 32.31 O ATOM 585 CB ARG A 36 2.275 -7.282 -10.399 1.00 15.44 C ATOM 586 CG ARG A 36 1.619 -8.654 -10.284 1.00 33.13 C ATOM 587 CD ARG A 36 0.489 -8.830 -11.289 1.00 32.31 C ATOM 588 NE ARG A 36 -0.236 -10.075 -11.071 1.00 71.22 N ATOM 589 CZ ARG A 36 -0.236 -11.091 -11.887 1.00 71.22 C ATOM 590 NH1 ARG A 36 0.472 -11.062 -12.973 1.00 71.25 N ATOM 591 NH2 ARG A 36 -0.934 -12.141 -11.605 1.00 62.22 N ATOM 0 H ARG A 36 1.884 -7.440 -7.969 1.00 24.13 H new ATOM 0 HA ARG A 36 4.225 -7.740 -9.575 1.00 4.33 H new ATOM 0 HB2 ARG A 36 1.515 -6.512 -10.267 1.00 15.44 H new ATOM 0 HB3 ARG A 36 2.677 -7.163 -11.405 1.00 15.44 H new ATOM 0 HG2 ARG A 36 2.369 -9.429 -10.442 1.00 33.13 H new ATOM 0 HG3 ARG A 36 1.231 -8.787 -9.274 1.00 33.13 H new ATOM 0 HD2 ARG A 36 -0.200 -7.989 -11.213 1.00 32.31 H new ATOM 0 HD3 ARG A 36 0.896 -8.818 -12.300 1.00 32.31 H new ATOM 0 HE ARG A 36 -0.785 -10.157 -10.215 1.00 71.22 H new ATOM 0 HH11 ARG A 36 1.034 -10.240 -13.194 1.00 71.25 H new ATOM 0 HH12 ARG A 36 0.467 -11.861 -13.607 1.00 71.25 H new ATOM 0 HH21 ARG A 36 -1.483 -12.173 -10.746 1.00 62.22 H new ATOM 0 HH22 ARG A 36 -0.936 -12.938 -12.242 1.00 62.22 H new ATOM 605 N ASP A 37 3.524 -4.745 -8.617 1.00 63.33 N ATOM 606 CA ASP A 37 3.957 -3.347 -8.635 1.00 53.10 C ATOM 607 C ASP A 37 5.121 -3.099 -7.658 1.00 42.10 C ATOM 608 O ASP A 37 5.493 -1.956 -7.387 1.00 24.20 O ATOM 609 CB ASP A 37 2.764 -2.451 -8.302 1.00 64.31 C ATOM 610 CG ASP A 37 1.652 -2.603 -9.325 1.00 62.02 C ATOM 611 OD1 ASP A 37 1.699 -1.918 -10.370 1.00 42.12 O ATOM 612 OD2 ASP A 37 0.739 -3.428 -9.109 1.00 33.43 O ATOM 0 H ASP A 37 2.879 -4.972 -7.860 1.00 63.33 H new ATOM 0 HA ASP A 37 4.326 -3.107 -9.632 1.00 53.10 H new ATOM 0 HB2 ASP A 37 2.385 -2.701 -7.311 1.00 64.31 H new ATOM 0 HB3 ASP A 37 3.088 -1.411 -8.266 1.00 64.31 H new ATOM 617 N MET A 38 5.694 -4.183 -7.134 1.00 64.41 N ATOM 618 CA MET A 38 6.872 -4.103 -6.264 1.00 42.32 C ATOM 619 C MET A 38 8.173 -4.144 -7.088 1.00 53.33 C ATOM 620 O MET A 38 8.577 -5.200 -7.580 1.00 22.22 O ATOM 621 CB MET A 38 6.856 -5.248 -5.245 1.00 51.04 C ATOM 622 CG MET A 38 5.661 -5.208 -4.309 1.00 45.23 C ATOM 623 SD MET A 38 5.601 -3.685 -3.345 1.00 15.34 S ATOM 624 CE MET A 38 7.075 -3.853 -2.348 1.00 42.23 C ATOM 0 H MET A 38 5.360 -5.133 -7.297 1.00 64.41 H new ATOM 0 HA MET A 38 6.837 -3.152 -5.732 1.00 42.32 H new ATOM 0 HB2 MET A 38 6.858 -6.199 -5.778 1.00 51.04 H new ATOM 0 HB3 MET A 38 7.772 -5.211 -4.655 1.00 51.04 H new ATOM 0 HG2 MET A 38 4.744 -5.305 -4.890 1.00 45.23 H new ATOM 0 HG3 MET A 38 5.702 -6.062 -3.633 1.00 45.23 H new ATOM 0 HE1 MET A 38 6.852 -3.572 -1.319 1.00 42.23 H new ATOM 0 HE2 MET A 38 7.417 -4.888 -2.376 1.00 42.23 H new ATOM 0 HE3 MET A 38 7.856 -3.202 -2.741 1.00 42.23 H new ATOM 634 N ILE A 39 8.821 -2.990 -7.234 1.00 60.32 N ATOM 635 CA ILE A 39 10.047 -2.878 -8.042 1.00 53.34 C ATOM 636 C ILE A 39 11.239 -3.616 -7.398 1.00 23.21 C ATOM 637 O ILE A 39 11.725 -4.617 -7.926 1.00 53.11 O ATOM 638 CB ILE A 39 10.432 -1.390 -8.270 1.00 4.11 C ATOM 639 CG1 ILE A 39 9.248 -0.604 -8.861 1.00 43.42 C ATOM 640 CG2 ILE A 39 11.656 -1.281 -9.182 1.00 24.24 C ATOM 641 CD1 ILE A 39 8.743 -1.139 -10.186 1.00 54.33 C ATOM 0 H ILE A 39 8.522 -2.114 -6.805 1.00 60.32 H new ATOM 0 HA ILE A 39 9.827 -3.349 -9.000 1.00 53.34 H new ATOM 0 HB ILE A 39 10.684 -0.954 -7.303 1.00 4.11 H new ATOM 0 HG12 ILE A 39 8.428 -0.611 -8.143 1.00 43.42 H new ATOM 0 HG13 ILE A 39 9.547 0.436 -8.993 1.00 43.42 H new ATOM 0 HG21 ILE A 39 11.908 -0.231 -9.328 1.00 24.24 H new ATOM 0 HG22 ILE A 39 12.499 -1.796 -8.722 1.00 24.24 H new ATOM 0 HG23 ILE A 39 11.433 -1.738 -10.146 1.00 24.24 H new ATOM 0 HD11 ILE A 39 7.909 -0.528 -10.531 1.00 54.33 H new ATOM 0 HD12 ILE A 39 9.546 -1.106 -10.922 1.00 54.33 H new ATOM 0 HD13 ILE A 39 8.410 -2.169 -10.059 1.00 54.33 H new ATOM 653 N SER A 40 11.711 -3.109 -6.260 1.00 4.33 N ATOM 654 CA SER A 40 12.898 -3.667 -5.582 1.00 51.14 C ATOM 655 C SER A 40 12.521 -4.691 -4.502 1.00 44.31 C ATOM 656 O SER A 40 13.127 -5.760 -4.404 1.00 43.53 O ATOM 657 CB SER A 40 13.708 -2.534 -4.943 1.00 44.43 C ATOM 658 OG SER A 40 12.942 -1.861 -3.955 1.00 4.54 O ATOM 0 H SER A 40 11.294 -2.311 -5.781 1.00 4.33 H new ATOM 0 HA SER A 40 13.493 -4.181 -6.337 1.00 51.14 H new ATOM 0 HB2 SER A 40 14.615 -2.938 -4.493 1.00 44.43 H new ATOM 0 HB3 SER A 40 14.021 -1.827 -5.711 1.00 44.43 H new ATOM 0 HG SER A 40 12.403 -1.161 -4.379 1.00 4.54 H new ATOM 664 N LEU A 41 11.540 -4.351 -3.673 1.00 54.12 N ATOM 665 CA LEU A 41 11.116 -5.219 -2.568 1.00 60.23 C ATOM 666 C LEU A 41 10.143 -6.321 -3.023 1.00 33.25 C ATOM 667 O LEU A 41 9.439 -6.181 -4.019 1.00 3.13 O ATOM 668 CB LEU A 41 10.462 -4.377 -1.461 1.00 32.03 C ATOM 669 CG LEU A 41 11.416 -3.473 -0.662 1.00 3.03 C ATOM 670 CD1 LEU A 41 10.638 -2.579 0.300 1.00 10.31 C ATOM 671 CD2 LEU A 41 12.442 -4.315 0.099 1.00 52.52 C ATOM 0 H LEU A 41 11.018 -3.477 -3.742 1.00 54.12 H new ATOM 0 HA LEU A 41 12.010 -5.711 -2.186 1.00 60.23 H new ATOM 0 HB2 LEU A 41 9.691 -3.752 -1.912 1.00 32.03 H new ATOM 0 HB3 LEU A 41 9.961 -5.050 -0.766 1.00 32.03 H new ATOM 0 HG LEU A 41 11.948 -2.833 -1.366 1.00 3.03 H new ATOM 0 HD11 LEU A 41 11.334 -1.949 0.854 1.00 10.31 H new ATOM 0 HD12 LEU A 41 9.949 -1.950 -0.264 1.00 10.31 H new ATOM 0 HD13 LEU A 41 10.075 -3.199 0.998 1.00 10.31 H new ATOM 0 HD21 LEU A 41 13.108 -3.658 0.658 1.00 52.52 H new ATOM 0 HD22 LEU A 41 11.925 -4.982 0.790 1.00 52.52 H new ATOM 0 HD23 LEU A 41 13.024 -4.906 -0.608 1.00 52.52 H new ATOM 683 N ARG A 42 10.129 -7.419 -2.277 1.00 22.10 N ATOM 684 CA ARG A 42 9.159 -8.510 -2.469 1.00 1.24 C ATOM 685 C ARG A 42 8.240 -8.610 -1.246 1.00 71.32 C ATOM 686 O ARG A 42 8.685 -8.353 -0.130 1.00 24.03 O ATOM 687 CB ARG A 42 9.895 -9.851 -2.635 1.00 10.35 C ATOM 688 CG ARG A 42 10.661 -10.008 -3.945 1.00 54.55 C ATOM 689 CD ARG A 42 9.725 -10.173 -5.138 1.00 12.41 C ATOM 690 NE ARG A 42 10.462 -10.454 -6.369 1.00 20.01 N ATOM 691 CZ ARG A 42 10.572 -11.641 -6.908 1.00 51.32 C ATOM 692 NH1 ARG A 42 10.041 -12.680 -6.339 1.00 44.40 N ATOM 693 NH2 ARG A 42 11.238 -11.786 -8.007 1.00 12.01 N ATOM 0 H ARG A 42 10.789 -7.586 -1.517 1.00 22.10 H new ATOM 0 HA ARG A 42 8.573 -8.297 -3.363 1.00 1.24 H new ATOM 0 HB2 ARG A 42 10.593 -9.970 -1.807 1.00 10.35 H new ATOM 0 HB3 ARG A 42 9.168 -10.659 -2.558 1.00 10.35 H new ATOM 0 HG2 ARG A 42 11.296 -9.136 -4.100 1.00 54.55 H new ATOM 0 HG3 ARG A 42 11.320 -10.874 -3.878 1.00 54.55 H new ATOM 0 HD2 ARG A 42 9.024 -10.984 -4.941 1.00 12.41 H new ATOM 0 HD3 ARG A 42 9.135 -9.265 -5.266 1.00 12.41 H new ATOM 0 HE ARG A 42 10.921 -9.673 -6.839 1.00 20.01 H new ATOM 0 HH11 ARG A 42 9.531 -12.576 -5.462 1.00 44.40 H new ATOM 0 HH12 ARG A 42 10.134 -13.600 -6.769 1.00 44.40 H new ATOM 0 HH21 ARG A 42 11.674 -10.977 -8.449 1.00 12.01 H new ATOM 0 HH22 ARG A 42 11.327 -12.709 -8.431 1.00 12.01 H new ATOM 707 N LEU A 43 6.976 -9.002 -1.439 1.00 44.33 N ATOM 708 CA LEU A 43 6.099 -9.301 -0.292 1.00 22.51 C ATOM 709 C LEU A 43 6.763 -10.353 0.611 1.00 14.12 C ATOM 710 O LEU A 43 6.589 -10.358 1.828 1.00 60.34 O ATOM 711 CB LEU A 43 4.732 -9.825 -0.751 1.00 64.25 C ATOM 712 CG LEU A 43 3.917 -8.902 -1.668 1.00 4.13 C ATOM 713 CD1 LEU A 43 2.531 -9.490 -1.909 1.00 43.24 C ATOM 714 CD2 LEU A 43 3.806 -7.494 -1.089 1.00 44.12 C ATOM 0 H LEU A 43 6.541 -9.119 -2.354 1.00 44.33 H new ATOM 0 HA LEU A 43 5.946 -8.373 0.260 1.00 22.51 H new ATOM 0 HB2 LEU A 43 4.886 -10.771 -1.269 1.00 64.25 H new ATOM 0 HB3 LEU A 43 4.134 -10.040 0.135 1.00 64.25 H new ATOM 0 HG LEU A 43 4.442 -8.827 -2.620 1.00 4.13 H new ATOM 0 HD11 LEU A 43 1.963 -8.826 -2.561 1.00 43.24 H new ATOM 0 HD12 LEU A 43 2.628 -10.467 -2.382 1.00 43.24 H new ATOM 0 HD13 LEU A 43 2.011 -9.597 -0.957 1.00 43.24 H new ATOM 0 HD21 LEU A 43 3.223 -6.868 -1.764 1.00 44.12 H new ATOM 0 HD22 LEU A 43 3.313 -7.538 -0.118 1.00 44.12 H new ATOM 0 HD23 LEU A 43 4.803 -7.070 -0.971 1.00 44.12 H new ATOM 726 N GLU A 44 7.541 -11.228 -0.022 1.00 22.35 N ATOM 727 CA GLU A 44 8.285 -12.289 0.662 1.00 2.02 C ATOM 728 C GLU A 44 9.279 -11.725 1.698 1.00 53.24 C ATOM 729 O GLU A 44 9.699 -12.433 2.616 1.00 0.52 O ATOM 730 CB GLU A 44 9.045 -13.119 -0.384 1.00 4.24 C ATOM 731 CG GLU A 44 8.171 -13.579 -1.549 1.00 12.33 C ATOM 732 CD GLU A 44 8.954 -14.323 -2.622 1.00 74.42 C ATOM 733 OE1 GLU A 44 9.104 -15.557 -2.503 1.00 64.31 O ATOM 734 OE2 GLU A 44 9.408 -13.679 -3.595 1.00 14.31 O ATOM 0 H GLU A 44 7.676 -11.223 -1.033 1.00 22.35 H new ATOM 0 HA GLU A 44 7.570 -12.911 1.201 1.00 2.02 H new ATOM 0 HB2 GLU A 44 9.874 -12.528 -0.773 1.00 4.24 H new ATOM 0 HB3 GLU A 44 9.478 -13.993 0.102 1.00 4.24 H new ATOM 0 HG2 GLU A 44 7.380 -14.226 -1.169 1.00 12.33 H new ATOM 0 HG3 GLU A 44 7.686 -12.712 -1.997 1.00 12.33 H new ATOM 741 N ASN A 45 9.655 -10.452 1.536 1.00 51.45 N ATOM 742 CA ASN A 45 10.645 -9.810 2.416 1.00 21.34 C ATOM 743 C ASN A 45 10.011 -8.709 3.289 1.00 42.01 C ATOM 744 O ASN A 45 10.714 -8.017 4.029 1.00 1.45 O ATOM 745 CB ASN A 45 11.773 -9.188 1.582 1.00 53.34 C ATOM 746 CG ASN A 45 12.353 -10.144 0.557 1.00 35.32 C ATOM 747 OD1 ASN A 45 12.358 -11.353 0.744 1.00 45.24 O ATOM 748 ND2 ASN A 45 12.860 -9.602 -0.532 1.00 12.53 N ATOM 0 H ASN A 45 9.290 -9.843 0.804 1.00 51.45 H new ATOM 0 HA ASN A 45 11.042 -10.587 3.070 1.00 21.34 H new ATOM 0 HB2 ASN A 45 11.393 -8.303 1.071 1.00 53.34 H new ATOM 0 HB3 ASN A 45 12.568 -8.854 2.249 1.00 53.34 H new ATOM 0 HD21 ASN A 45 13.274 -10.195 -1.252 1.00 12.53 H new ATOM 0 HD22 ASN A 45 12.839 -8.590 -0.655 1.00 12.53 H new ATOM 755 N LEU A 46 8.695 -8.530 3.185 1.00 0.01 N ATOM 756 CA LEU A 46 7.998 -7.487 3.951 1.00 14.52 C ATOM 757 C LEU A 46 7.476 -8.032 5.287 1.00 41.30 C ATOM 758 O LEU A 46 6.905 -9.121 5.347 1.00 41.33 O ATOM 759 CB LEU A 46 6.833 -6.894 3.137 1.00 1.42 C ATOM 760 CG LEU A 46 7.202 -6.344 1.747 1.00 4.01 C ATOM 761 CD1 LEU A 46 6.027 -5.586 1.132 1.00 10.14 C ATOM 762 CD2 LEU A 46 8.450 -5.464 1.814 1.00 40.00 C ATOM 0 H LEU A 46 8.089 -9.088 2.583 1.00 0.01 H new ATOM 0 HA LEU A 46 8.721 -6.698 4.159 1.00 14.52 H new ATOM 0 HB2 LEU A 46 6.072 -7.664 3.012 1.00 1.42 H new ATOM 0 HB3 LEU A 46 6.381 -6.090 3.717 1.00 1.42 H new ATOM 0 HG LEU A 46 7.430 -7.192 1.101 1.00 4.01 H new ATOM 0 HD11 LEU A 46 6.312 -5.207 0.151 1.00 10.14 H new ATOM 0 HD12 LEU A 46 5.175 -6.258 1.028 1.00 10.14 H new ATOM 0 HD13 LEU A 46 5.754 -4.751 1.778 1.00 10.14 H new ATOM 0 HD21 LEU A 46 8.686 -5.090 0.818 1.00 40.00 H new ATOM 0 HD22 LEU A 46 8.267 -4.623 2.483 1.00 40.00 H new ATOM 0 HD23 LEU A 46 9.289 -6.050 2.189 1.00 40.00 H new ATOM 774 N ASN A 47 7.670 -7.264 6.354 1.00 75.43 N ATOM 775 CA ASN A 47 7.262 -7.684 7.697 1.00 55.44 C ATOM 776 C ASN A 47 6.220 -6.723 8.287 1.00 63.41 C ATOM 777 O ASN A 47 6.224 -5.523 7.996 1.00 44.10 O ATOM 778 CB ASN A 47 8.489 -7.741 8.616 1.00 15.11 C ATOM 779 CG ASN A 47 9.613 -8.566 8.017 1.00 3.04 C ATOM 780 OD1 ASN A 47 9.715 -9.768 8.248 1.00 11.12 O ATOM 781 ND2 ASN A 47 10.465 -7.929 7.236 1.00 54.02 N ATOM 0 H ASN A 47 8.108 -6.344 6.318 1.00 75.43 H new ATOM 0 HA ASN A 47 6.810 -8.673 7.622 1.00 55.44 H new ATOM 0 HB2 ASN A 47 8.845 -6.729 8.808 1.00 15.11 H new ATOM 0 HB3 ASN A 47 8.201 -8.165 9.578 1.00 15.11 H new ATOM 0 HD21 ASN A 47 11.237 -8.436 6.803 1.00 54.02 H new ATOM 0 HD22 ASN A 47 10.351 -6.930 7.065 1.00 54.02 H new ATOM 788 N VAL A 48 5.331 -7.254 9.121 1.00 71.31 N ATOM 789 CA VAL A 48 4.335 -6.435 9.814 1.00 33.14 C ATOM 790 C VAL A 48 5.012 -5.350 10.670 1.00 13.31 C ATOM 791 O VAL A 48 5.693 -5.653 11.652 1.00 52.54 O ATOM 792 CB VAL A 48 3.425 -7.309 10.714 1.00 41.31 C ATOM 793 CG1 VAL A 48 2.445 -6.445 11.506 1.00 35.02 C ATOM 794 CG2 VAL A 48 2.681 -8.354 9.879 1.00 60.04 C ATOM 0 H VAL A 48 5.278 -8.250 9.335 1.00 71.31 H new ATOM 0 HA VAL A 48 3.722 -5.954 9.051 1.00 33.14 H new ATOM 0 HB VAL A 48 4.060 -7.834 11.428 1.00 41.31 H new ATOM 0 HG11 VAL A 48 1.819 -7.083 12.129 1.00 35.02 H new ATOM 0 HG12 VAL A 48 3.000 -5.752 12.139 1.00 35.02 H new ATOM 0 HG13 VAL A 48 1.816 -5.882 10.816 1.00 35.02 H new ATOM 0 HG21 VAL A 48 2.048 -8.957 10.530 1.00 60.04 H new ATOM 0 HG22 VAL A 48 2.062 -7.852 9.135 1.00 60.04 H new ATOM 0 HG23 VAL A 48 3.402 -8.999 9.376 1.00 60.04 H new ATOM 804 N GLY A 49 4.831 -4.087 10.286 1.00 54.13 N ATOM 805 CA GLY A 49 5.450 -2.981 11.012 1.00 30.30 C ATOM 806 C GLY A 49 6.470 -2.199 10.186 1.00 31.43 C ATOM 807 O GLY A 49 6.925 -1.134 10.609 1.00 22.31 O ATOM 0 H GLY A 49 4.266 -3.807 9.484 1.00 54.13 H new ATOM 0 HA2 GLY A 49 4.670 -2.299 11.351 1.00 30.30 H new ATOM 0 HA3 GLY A 49 5.941 -3.372 11.903 1.00 30.30 H new ATOM 811 N ASP A 50 6.840 -2.715 9.012 1.00 74.05 N ATOM 812 CA ASP A 50 7.791 -2.017 8.138 1.00 23.42 C ATOM 813 C ASP A 50 7.159 -0.780 7.471 1.00 75.34 C ATOM 814 O ASP A 50 6.075 -0.858 6.890 1.00 43.44 O ATOM 815 CB ASP A 50 8.345 -2.960 7.054 1.00 54.24 C ATOM 816 CG ASP A 50 9.288 -4.019 7.607 1.00 33.21 C ATOM 817 OD1 ASP A 50 9.953 -3.760 8.631 1.00 40.34 O ATOM 818 OD2 ASP A 50 9.411 -5.095 6.989 1.00 55.41 O ATOM 0 H ASP A 50 6.501 -3.604 8.645 1.00 74.05 H new ATOM 0 HA ASP A 50 8.611 -1.682 8.774 1.00 23.42 H new ATOM 0 HB2 ASP A 50 7.513 -3.451 6.549 1.00 54.24 H new ATOM 0 HB3 ASP A 50 8.871 -2.371 6.303 1.00 54.24 H new ATOM 823 N GLU A 51 7.842 0.363 7.571 1.00 70.40 N ATOM 824 CA GLU A 51 7.414 1.593 6.880 1.00 42.44 C ATOM 825 C GLU A 51 7.924 1.610 5.429 1.00 41.52 C ATOM 826 O GLU A 51 9.130 1.509 5.182 1.00 62.22 O ATOM 827 CB GLU A 51 7.924 2.843 7.614 1.00 1.21 C ATOM 828 CG GLU A 51 7.313 3.049 8.992 1.00 61.00 C ATOM 829 CD GLU A 51 7.828 4.313 9.666 1.00 74.53 C ATOM 830 OE1 GLU A 51 7.322 5.413 9.355 1.00 51.44 O ATOM 831 OE2 GLU A 51 8.760 4.214 10.495 1.00 0.12 O ATOM 0 H GLU A 51 8.694 0.468 8.122 1.00 70.40 H new ATOM 0 HA GLU A 51 6.324 1.604 6.877 1.00 42.44 H new ATOM 0 HB2 GLU A 51 9.007 2.775 7.716 1.00 1.21 H new ATOM 0 HB3 GLU A 51 7.716 3.720 7.002 1.00 1.21 H new ATOM 0 HG2 GLU A 51 6.228 3.103 8.902 1.00 61.00 H new ATOM 0 HG3 GLU A 51 7.538 2.187 9.620 1.00 61.00 H new ATOM 838 N ILE A 52 7.007 1.746 4.474 1.00 13.21 N ATOM 839 CA ILE A 52 7.358 1.744 3.047 1.00 40.33 C ATOM 840 C ILE A 52 6.781 2.968 2.312 1.00 14.11 C ATOM 841 O ILE A 52 5.663 3.406 2.591 1.00 63.12 O ATOM 842 CB ILE A 52 6.856 0.447 2.351 1.00 52.22 C ATOM 843 CG1 ILE A 52 7.464 -0.794 3.029 1.00 51.40 C ATOM 844 CG2 ILE A 52 7.190 0.463 0.857 1.00 45.32 C ATOM 845 CD1 ILE A 52 7.047 -2.111 2.405 1.00 14.21 C ATOM 0 H ILE A 52 6.010 1.860 4.659 1.00 13.21 H new ATOM 0 HA ILE A 52 8.446 1.788 2.993 1.00 40.33 H new ATOM 0 HB ILE A 52 5.772 0.403 2.453 1.00 52.22 H new ATOM 0 HG12 ILE A 52 8.551 -0.717 2.995 1.00 51.40 H new ATOM 0 HG13 ILE A 52 7.177 -0.796 4.081 1.00 51.40 H new ATOM 0 HG21 ILE A 52 6.828 -0.455 0.393 1.00 45.32 H new ATOM 0 HG22 ILE A 52 6.710 1.321 0.386 1.00 45.32 H new ATOM 0 HG23 ILE A 52 8.270 0.534 0.726 1.00 45.32 H new ATOM 0 HD11 ILE A 52 7.519 -2.934 2.942 1.00 14.21 H new ATOM 0 HD12 ILE A 52 5.963 -2.214 2.463 1.00 14.21 H new ATOM 0 HD13 ILE A 52 7.358 -2.133 1.361 1.00 14.21 H new ATOM 857 N ILE A 53 7.564 3.522 1.382 1.00 14.34 N ATOM 858 CA ILE A 53 7.106 4.625 0.527 1.00 12.35 C ATOM 859 C ILE A 53 6.407 4.077 -0.729 1.00 44.15 C ATOM 860 O ILE A 53 7.006 3.331 -1.507 1.00 71.34 O ATOM 861 CB ILE A 53 8.285 5.538 0.097 1.00 61.12 C ATOM 862 CG1 ILE A 53 9.041 6.058 1.333 1.00 13.52 C ATOM 863 CG2 ILE A 53 7.779 6.702 -0.759 1.00 44.42 C ATOM 864 CD1 ILE A 53 10.243 6.920 1.000 1.00 2.13 C ATOM 0 H ILE A 53 8.523 3.224 1.200 1.00 14.34 H new ATOM 0 HA ILE A 53 6.401 5.217 1.111 1.00 12.35 H new ATOM 0 HB ILE A 53 8.977 4.949 -0.505 1.00 61.12 H new ATOM 0 HG12 ILE A 53 8.353 6.634 1.952 1.00 13.52 H new ATOM 0 HG13 ILE A 53 9.370 5.207 1.930 1.00 13.52 H new ATOM 0 HG21 ILE A 53 8.620 7.331 -1.051 1.00 44.42 H new ATOM 0 HG22 ILE A 53 7.291 6.312 -1.652 1.00 44.42 H new ATOM 0 HG23 ILE A 53 7.066 7.293 -0.184 1.00 44.42 H new ATOM 0 HD11 ILE A 53 10.722 7.248 1.922 1.00 2.13 H new ATOM 0 HD12 ILE A 53 10.952 6.342 0.408 1.00 2.13 H new ATOM 0 HD13 ILE A 53 9.919 7.791 0.430 1.00 2.13 H new ATOM 876 N VAL A 54 5.143 4.449 -0.928 1.00 22.45 N ATOM 877 CA VAL A 54 4.342 3.912 -2.036 1.00 23.21 C ATOM 878 C VAL A 54 3.540 5.005 -2.763 1.00 71.54 C ATOM 879 O VAL A 54 3.095 5.984 -2.159 1.00 12.11 O ATOM 880 CB VAL A 54 3.356 2.821 -1.541 1.00 32.13 C ATOM 881 CG1 VAL A 54 4.110 1.591 -1.036 1.00 62.41 C ATOM 882 CG2 VAL A 54 2.433 3.376 -0.453 1.00 72.02 C ATOM 0 H VAL A 54 4.649 5.119 -0.339 1.00 22.45 H new ATOM 0 HA VAL A 54 5.055 3.477 -2.736 1.00 23.21 H new ATOM 0 HB VAL A 54 2.740 2.515 -2.387 1.00 32.13 H new ATOM 0 HG11 VAL A 54 3.396 0.841 -0.695 1.00 62.41 H new ATOM 0 HG12 VAL A 54 4.713 1.177 -1.844 1.00 62.41 H new ATOM 0 HG13 VAL A 54 4.759 1.877 -0.209 1.00 62.41 H new ATOM 0 HG21 VAL A 54 1.750 2.594 -0.121 1.00 72.02 H new ATOM 0 HG22 VAL A 54 3.031 3.718 0.392 1.00 72.02 H new ATOM 0 HG23 VAL A 54 1.860 4.212 -0.854 1.00 72.02 H new ATOM 892 N GLN A 55 3.365 4.831 -4.072 1.00 11.15 N ATOM 893 CA GLN A 55 2.503 5.712 -4.864 1.00 30.44 C ATOM 894 C GLN A 55 1.111 5.084 -5.023 1.00 63.15 C ATOM 895 O GLN A 55 0.985 3.933 -5.448 1.00 24.42 O ATOM 896 CB GLN A 55 3.118 5.980 -6.248 1.00 61.43 C ATOM 897 CG GLN A 55 2.257 6.875 -7.140 1.00 65.50 C ATOM 898 CD GLN A 55 2.873 7.126 -8.508 1.00 64.41 C ATOM 899 OE1 GLN A 55 3.619 6.303 -9.034 1.00 74.04 O ATOM 900 NE2 GLN A 55 2.563 8.264 -9.097 1.00 21.02 N ATOM 0 H GLN A 55 3.809 4.086 -4.609 1.00 11.15 H new ATOM 0 HA GLN A 55 2.410 6.662 -4.338 1.00 30.44 H new ATOM 0 HB2 GLN A 55 4.095 6.444 -6.118 1.00 61.43 H new ATOM 0 HB3 GLN A 55 3.282 5.028 -6.753 1.00 61.43 H new ATOM 0 HG2 GLN A 55 1.277 6.415 -7.269 1.00 65.50 H new ATOM 0 HG3 GLN A 55 2.097 7.830 -6.640 1.00 65.50 H new ATOM 0 HE21 GLN A 55 1.941 8.926 -8.633 1.00 21.02 H new ATOM 0 HE22 GLN A 55 2.945 8.483 -10.017 1.00 21.02 H new ATOM 909 N ALA A 56 0.070 5.832 -4.673 1.00 25.02 N ATOM 910 CA ALA A 56 -1.303 5.338 -4.783 1.00 3.40 C ATOM 911 C ALA A 56 -1.734 5.195 -6.248 1.00 54.44 C ATOM 912 O ALA A 56 -1.731 6.167 -6.999 1.00 11.10 O ATOM 913 CB ALA A 56 -2.253 6.271 -4.040 1.00 41.35 C ATOM 0 H ALA A 56 0.148 6.782 -4.311 1.00 25.02 H new ATOM 0 HA ALA A 56 -1.343 4.348 -4.329 1.00 3.40 H new ATOM 0 HB1 ALA A 56 -3.273 5.896 -4.127 1.00 41.35 H new ATOM 0 HB2 ALA A 56 -1.971 6.315 -2.988 1.00 41.35 H new ATOM 0 HB3 ALA A 56 -2.195 7.269 -4.473 1.00 41.35 H new ATOM 919 N ILE A 57 -2.089 3.979 -6.655 1.00 65.42 N ATOM 920 CA ILE A 57 -2.586 3.732 -8.012 1.00 42.42 C ATOM 921 C ILE A 57 -4.055 4.166 -8.138 1.00 73.42 C ATOM 922 O ILE A 57 -4.388 5.080 -8.896 1.00 30.44 O ATOM 923 CB ILE A 57 -2.460 2.234 -8.398 1.00 42.12 C ATOM 924 CG1 ILE A 57 -1.014 1.742 -8.209 1.00 53.13 C ATOM 925 CG2 ILE A 57 -2.915 2.012 -9.840 1.00 33.21 C ATOM 926 CD1 ILE A 57 -0.817 0.272 -8.532 1.00 13.31 C ATOM 0 H ILE A 57 -2.043 3.147 -6.067 1.00 65.42 H new ATOM 0 HA ILE A 57 -1.972 4.321 -8.694 1.00 42.42 H new ATOM 0 HB ILE A 57 -3.107 1.657 -7.738 1.00 42.12 H new ATOM 0 HG12 ILE A 57 -0.353 2.335 -8.842 1.00 53.13 H new ATOM 0 HG13 ILE A 57 -0.712 1.921 -7.177 1.00 53.13 H new ATOM 0 HG21 ILE A 57 -2.820 0.956 -10.093 1.00 33.21 H new ATOM 0 HG22 ILE A 57 -3.956 2.318 -9.944 1.00 33.21 H new ATOM 0 HG23 ILE A 57 -2.294 2.604 -10.513 1.00 33.21 H new ATOM 0 HD11 ILE A 57 0.227 0.002 -8.374 1.00 13.31 H new ATOM 0 HD12 ILE A 57 -1.450 -0.331 -7.882 1.00 13.31 H new ATOM 0 HD13 ILE A 57 -1.086 0.089 -9.572 1.00 13.31 H new ATOM 938 N ASP A 58 -4.927 3.507 -7.382 1.00 4.25 N ATOM 939 CA ASP A 58 -6.355 3.832 -7.372 1.00 32.02 C ATOM 940 C ASP A 58 -6.890 3.972 -5.945 1.00 15.32 C ATOM 941 O ASP A 58 -6.685 3.098 -5.105 1.00 64.25 O ATOM 942 CB ASP A 58 -7.165 2.759 -8.106 1.00 71.44 C ATOM 943 CG ASP A 58 -6.941 2.771 -9.604 1.00 65.43 C ATOM 944 OD1 ASP A 58 -7.637 3.537 -10.301 1.00 24.24 O ATOM 945 OD2 ASP A 58 -6.087 2.010 -10.091 1.00 24.41 O ATOM 0 H ASP A 58 -4.670 2.738 -6.763 1.00 4.25 H new ATOM 0 HA ASP A 58 -6.466 4.787 -7.885 1.00 32.02 H new ATOM 0 HB2 ASP A 58 -6.899 1.778 -7.712 1.00 71.44 H new ATOM 0 HB3 ASP A 58 -8.225 2.908 -7.901 1.00 71.44 H new ATOM 950 N VAL A 59 -7.570 5.082 -5.678 1.00 74.43 N ATOM 951 CA VAL A 59 -8.310 5.258 -4.427 1.00 40.34 C ATOM 952 C VAL A 59 -9.805 5.374 -4.738 1.00 4.33 C ATOM 953 O VAL A 59 -10.267 6.416 -5.211 1.00 44.44 O ATOM 954 CB VAL A 59 -7.844 6.520 -3.660 1.00 14.31 C ATOM 955 CG1 VAL A 59 -8.579 6.647 -2.323 1.00 44.41 C ATOM 956 CG2 VAL A 59 -6.331 6.497 -3.454 1.00 42.14 C ATOM 0 H VAL A 59 -7.626 5.879 -6.313 1.00 74.43 H new ATOM 0 HA VAL A 59 -8.119 4.391 -3.794 1.00 40.34 H new ATOM 0 HB VAL A 59 -8.090 7.395 -4.261 1.00 14.31 H new ATOM 0 HG11 VAL A 59 -8.235 7.541 -1.802 1.00 44.41 H new ATOM 0 HG12 VAL A 59 -9.651 6.722 -2.503 1.00 44.41 H new ATOM 0 HG13 VAL A 59 -8.374 5.769 -1.711 1.00 44.41 H new ATOM 0 HG21 VAL A 59 -6.024 7.392 -2.913 1.00 42.14 H new ATOM 0 HG22 VAL A 59 -6.056 5.613 -2.879 1.00 42.14 H new ATOM 0 HG23 VAL A 59 -5.832 6.469 -4.423 1.00 42.14 H new ATOM 966 N ARG A 60 -10.559 4.306 -4.488 1.00 13.13 N ATOM 967 CA ARG A 60 -11.963 4.249 -4.911 1.00 24.21 C ATOM 968 C ARG A 60 -12.912 3.942 -3.737 1.00 31.25 C ATOM 969 O ARG A 60 -13.098 2.782 -3.358 1.00 42.34 O ATOM 970 CB ARG A 60 -12.115 3.193 -6.024 1.00 10.14 C ATOM 971 CG ARG A 60 -11.165 3.417 -7.203 1.00 33.45 C ATOM 972 CD ARG A 60 -11.379 2.415 -8.334 1.00 75.10 C ATOM 973 NE ARG A 60 -10.472 2.671 -9.458 1.00 24.13 N ATOM 974 CZ ARG A 60 -10.772 2.461 -10.711 1.00 72.12 C ATOM 975 NH1 ARG A 60 -11.921 1.975 -11.045 1.00 32.04 N ATOM 976 NH2 ARG A 60 -9.909 2.736 -11.631 1.00 61.15 N ATOM 0 H ARG A 60 -10.229 3.474 -4.000 1.00 13.13 H new ATOM 0 HA ARG A 60 -12.244 5.231 -5.292 1.00 24.21 H new ATOM 0 HB2 ARG A 60 -11.935 2.203 -5.604 1.00 10.14 H new ATOM 0 HB3 ARG A 60 -13.143 3.203 -6.387 1.00 10.14 H new ATOM 0 HG2 ARG A 60 -11.303 4.427 -7.588 1.00 33.45 H new ATOM 0 HG3 ARG A 60 -10.135 3.348 -6.852 1.00 33.45 H new ATOM 0 HD2 ARG A 60 -11.220 1.403 -7.960 1.00 75.10 H new ATOM 0 HD3 ARG A 60 -12.412 2.469 -8.679 1.00 75.10 H new ATOM 0 HE ARG A 60 -9.544 3.038 -9.246 1.00 24.13 H new ATOM 0 HH11 ARG A 60 -12.608 1.750 -10.326 1.00 32.04 H new ATOM 0 HH12 ARG A 60 -12.141 1.816 -12.028 1.00 32.04 H new ATOM 0 HH21 ARG A 60 -8.997 3.116 -11.378 1.00 61.15 H new ATOM 0 HH22 ARG A 60 -10.139 2.573 -12.611 1.00 61.15 H new ATOM 990 N PRO A 61 -13.533 4.991 -3.146 1.00 65.32 N ATOM 991 CA PRO A 61 -14.502 4.829 -2.043 1.00 44.30 C ATOM 992 C PRO A 61 -15.734 4.005 -2.450 1.00 63.15 C ATOM 993 O PRO A 61 -16.395 3.403 -1.606 1.00 70.40 O ATOM 994 CB PRO A 61 -14.901 6.273 -1.692 1.00 2.32 C ATOM 995 CG PRO A 61 -14.535 7.080 -2.894 1.00 12.35 C ATOM 996 CD PRO A 61 -13.327 6.411 -3.487 1.00 73.33 C ATOM 0 HA PRO A 61 -14.069 4.282 -1.206 1.00 44.30 H new ATOM 0 HB2 PRO A 61 -15.967 6.346 -1.477 1.00 2.32 H new ATOM 0 HB3 PRO A 61 -14.373 6.624 -0.806 1.00 2.32 H new ATOM 0 HG2 PRO A 61 -15.356 7.109 -3.610 1.00 12.35 H new ATOM 0 HG3 PRO A 61 -14.315 8.112 -2.620 1.00 12.35 H new ATOM 0 HD2 PRO A 61 -13.270 6.563 -4.565 1.00 73.33 H new ATOM 0 HD3 PRO A 61 -12.401 6.798 -3.061 1.00 73.33 H new ATOM 1004 N GLU A 62 -16.023 3.978 -3.755 1.00 71.31 N ATOM 1005 CA GLU A 62 -17.116 3.164 -4.306 1.00 1.24 C ATOM 1006 C GLU A 62 -16.976 1.690 -3.885 1.00 5.44 C ATOM 1007 O GLU A 62 -17.966 0.982 -3.681 1.00 72.21 O ATOM 1008 CB GLU A 62 -17.117 3.273 -5.843 1.00 31.22 C ATOM 1009 CG GLU A 62 -15.833 2.764 -6.500 1.00 51.22 C ATOM 1010 CD GLU A 62 -15.803 2.982 -8.006 1.00 33.13 C ATOM 1011 OE1 GLU A 62 -16.347 2.136 -8.749 1.00 22.14 O ATOM 1012 OE2 GLU A 62 -15.236 4.001 -8.454 1.00 3.34 O ATOM 0 H GLU A 62 -15.512 4.514 -4.456 1.00 71.31 H new ATOM 0 HA GLU A 62 -18.059 3.541 -3.911 1.00 1.24 H new ATOM 0 HB2 GLU A 62 -17.963 2.710 -6.237 1.00 31.22 H new ATOM 0 HB3 GLU A 62 -17.269 4.315 -6.124 1.00 31.22 H new ATOM 0 HG2 GLU A 62 -14.978 3.268 -6.049 1.00 51.22 H new ATOM 0 HG3 GLU A 62 -15.723 1.700 -6.291 1.00 51.22 H new ATOM 1019 N LYS A 63 -15.728 1.239 -3.770 1.00 40.02 N ATOM 1020 CA LYS A 63 -15.410 -0.119 -3.317 1.00 1.32 C ATOM 1021 C LYS A 63 -14.621 -0.098 -1.999 1.00 22.34 C ATOM 1022 O LYS A 63 -14.359 -1.145 -1.408 1.00 63.23 O ATOM 1023 CB LYS A 63 -14.581 -0.845 -4.386 1.00 25.11 C ATOM 1024 CG LYS A 63 -15.329 -1.109 -5.689 1.00 43.42 C ATOM 1025 CD LYS A 63 -16.456 -2.127 -5.513 1.00 44.45 C ATOM 1026 CE LYS A 63 -15.947 -3.465 -4.974 1.00 14.21 C ATOM 1027 NZ LYS A 63 -14.889 -4.060 -5.839 1.00 63.24 N ATOM 0 H LYS A 63 -14.907 1.803 -3.988 1.00 40.02 H new ATOM 0 HA LYS A 63 -16.351 -0.644 -3.151 1.00 1.32 H new ATOM 0 HB2 LYS A 63 -13.693 -0.252 -4.604 1.00 25.11 H new ATOM 0 HB3 LYS A 63 -14.238 -1.796 -3.979 1.00 25.11 H new ATOM 0 HG2 LYS A 63 -15.743 -0.173 -6.064 1.00 43.42 H new ATOM 0 HG3 LYS A 63 -14.628 -1.472 -6.441 1.00 43.42 H new ATOM 0 HD2 LYS A 63 -17.204 -1.724 -4.831 1.00 44.45 H new ATOM 0 HD3 LYS A 63 -16.951 -2.288 -6.471 1.00 44.45 H new ATOM 0 HE2 LYS A 63 -15.552 -3.322 -3.968 1.00 14.21 H new ATOM 0 HE3 LYS A 63 -16.781 -4.162 -4.893 1.00 14.21 H new ATOM 0 HZ1 LYS A 63 -14.929 -5.097 -5.773 1.00 63.24 H new ATOM 0 HZ2 LYS A 63 -15.043 -3.770 -6.826 1.00 63.24 H new ATOM 0 HZ3 LYS A 63 -13.955 -3.729 -5.523 1.00 63.24 H new ATOM 1041 N ARG A 64 -14.244 1.103 -1.554 1.00 12.24 N ATOM 1042 CA ARG A 64 -13.387 1.279 -0.372 1.00 4.44 C ATOM 1043 C ARG A 64 -12.039 0.554 -0.541 1.00 23.12 C ATOM 1044 O ARG A 64 -11.378 0.198 0.438 1.00 61.20 O ATOM 1045 CB ARG A 64 -14.111 0.812 0.903 1.00 54.24 C ATOM 1046 CG ARG A 64 -15.259 1.731 1.325 1.00 32.01 C ATOM 1047 CD ARG A 64 -15.933 1.251 2.607 1.00 4.00 C ATOM 1048 NE ARG A 64 -16.878 2.235 3.133 1.00 1.24 N ATOM 1049 CZ ARG A 64 -17.727 1.994 4.095 1.00 54.32 C ATOM 1050 NH1 ARG A 64 -17.821 0.818 4.620 1.00 20.33 N ATOM 1051 NH2 ARG A 64 -18.491 2.937 4.527 1.00 63.42 N ATOM 0 H ARG A 64 -14.521 1.979 -1.998 1.00 12.24 H new ATOM 0 HA ARG A 64 -13.175 2.343 -0.271 1.00 4.44 H new ATOM 0 HB2 ARG A 64 -14.501 -0.193 0.742 1.00 54.24 H new ATOM 0 HB3 ARG A 64 -13.390 0.747 1.718 1.00 54.24 H new ATOM 0 HG2 ARG A 64 -14.879 2.742 1.472 1.00 32.01 H new ATOM 0 HG3 ARG A 64 -15.997 1.781 0.524 1.00 32.01 H new ATOM 0 HD2 ARG A 64 -16.456 0.315 2.412 1.00 4.00 H new ATOM 0 HD3 ARG A 64 -15.173 1.041 3.359 1.00 4.00 H new ATOM 0 HE ARG A 64 -16.874 3.169 2.722 1.00 1.24 H new ATOM 0 HH11 ARG A 64 -17.227 0.060 4.284 1.00 20.33 H new ATOM 0 HH12 ARG A 64 -18.490 0.647 5.371 1.00 20.33 H new ATOM 0 HH21 ARG A 64 -18.432 3.869 4.118 1.00 63.42 H new ATOM 0 HH22 ARG A 64 -19.155 2.751 5.279 1.00 63.42 H new ATOM 1065 N GLU A 65 -11.627 0.373 -1.794 1.00 33.02 N ATOM 1066 CA GLU A 65 -10.353 -0.278 -2.115 1.00 73.41 C ATOM 1067 C GLU A 65 -9.305 0.752 -2.558 1.00 54.32 C ATOM 1068 O GLU A 65 -9.623 1.716 -3.265 1.00 4.22 O ATOM 1069 CB GLU A 65 -10.547 -1.327 -3.223 1.00 1.05 C ATOM 1070 CG GLU A 65 -11.550 -2.423 -2.876 1.00 1.15 C ATOM 1071 CD GLU A 65 -11.688 -3.461 -3.981 1.00 3.15 C ATOM 1072 OE1 GLU A 65 -12.316 -3.157 -5.020 1.00 53.22 O ATOM 1073 OE2 GLU A 65 -11.166 -4.588 -3.826 1.00 24.30 O ATOM 0 H GLU A 65 -12.160 0.670 -2.611 1.00 33.02 H new ATOM 0 HA GLU A 65 -9.996 -0.773 -1.212 1.00 73.41 H new ATOM 0 HB2 GLU A 65 -10.876 -0.823 -4.132 1.00 1.05 H new ATOM 0 HB3 GLU A 65 -9.584 -1.788 -3.445 1.00 1.05 H new ATOM 0 HG2 GLU A 65 -11.239 -2.917 -1.955 1.00 1.15 H new ATOM 0 HG3 GLU A 65 -12.523 -1.972 -2.683 1.00 1.15 H new ATOM 1080 N ILE A 66 -8.062 0.545 -2.136 1.00 54.41 N ATOM 1081 CA ILE A 66 -6.952 1.434 -2.495 1.00 53.11 C ATOM 1082 C ILE A 66 -5.726 0.617 -2.926 1.00 51.42 C ATOM 1083 O ILE A 66 -5.174 -0.139 -2.133 1.00 1.01 O ATOM 1084 CB ILE A 66 -6.552 2.359 -1.313 1.00 13.31 C ATOM 1085 CG1 ILE A 66 -7.755 3.195 -0.836 1.00 60.14 C ATOM 1086 CG2 ILE A 66 -5.387 3.266 -1.715 1.00 33.44 C ATOM 1087 CD1 ILE A 66 -7.459 4.080 0.359 1.00 23.33 C ATOM 0 H ILE A 66 -7.792 -0.237 -1.539 1.00 54.41 H new ATOM 0 HA ILE A 66 -7.294 2.054 -3.323 1.00 53.11 H new ATOM 0 HB ILE A 66 -6.230 1.731 -0.482 1.00 13.31 H new ATOM 0 HG12 ILE A 66 -8.100 3.819 -1.660 1.00 60.14 H new ATOM 0 HG13 ILE A 66 -8.574 2.522 -0.582 1.00 60.14 H new ATOM 0 HG21 ILE A 66 -5.119 3.908 -0.876 1.00 33.44 H new ATOM 0 HG22 ILE A 66 -4.529 2.654 -1.993 1.00 33.44 H new ATOM 0 HG23 ILE A 66 -5.682 3.883 -2.564 1.00 33.44 H new ATOM 0 HD11 ILE A 66 -8.357 4.635 0.632 1.00 23.33 H new ATOM 0 HD12 ILE A 66 -7.144 3.462 1.200 1.00 23.33 H new ATOM 0 HD13 ILE A 66 -6.663 4.780 0.105 1.00 23.33 H new ATOM 1099 N ASP A 67 -5.312 0.765 -4.180 1.00 12.11 N ATOM 1100 CA ASP A 67 -4.142 0.046 -4.700 1.00 30.11 C ATOM 1101 C ASP A 67 -2.862 0.903 -4.600 1.00 21.55 C ATOM 1102 O ASP A 67 -2.890 2.105 -4.866 1.00 23.31 O ATOM 1103 CB ASP A 67 -4.390 -0.367 -6.155 1.00 2.55 C ATOM 1104 CG ASP A 67 -5.585 -1.298 -6.307 1.00 43.21 C ATOM 1105 OD1 ASP A 67 -5.493 -2.468 -5.883 1.00 3.54 O ATOM 1106 OD2 ASP A 67 -6.615 -0.869 -6.867 1.00 31.43 O ATOM 0 H ASP A 67 -5.766 1.375 -4.860 1.00 12.11 H new ATOM 0 HA ASP A 67 -3.993 -0.845 -4.090 1.00 30.11 H new ATOM 0 HB2 ASP A 67 -4.551 0.526 -6.759 1.00 2.55 H new ATOM 0 HB3 ASP A 67 -3.499 -0.859 -6.545 1.00 2.55 H new ATOM 1111 N PHE A 68 -1.746 0.278 -4.213 1.00 30.21 N ATOM 1112 CA PHE A 68 -0.452 0.976 -4.098 1.00 12.33 C ATOM 1113 C PHE A 68 0.608 0.394 -5.045 1.00 70.04 C ATOM 1114 O PHE A 68 0.500 -0.747 -5.500 1.00 42.01 O ATOM 1115 CB PHE A 68 0.082 0.915 -2.657 1.00 61.43 C ATOM 1116 CG PHE A 68 -0.713 1.706 -1.648 1.00 73.11 C ATOM 1117 CD1 PHE A 68 -1.212 2.961 -1.961 1.00 55.15 C ATOM 1118 CD2 PHE A 68 -0.935 1.200 -0.377 1.00 62.53 C ATOM 1119 CE1 PHE A 68 -1.920 3.692 -1.027 1.00 74.34 C ATOM 1120 CE2 PHE A 68 -1.644 1.926 0.559 1.00 5.42 C ATOM 1121 CZ PHE A 68 -2.138 3.173 0.234 1.00 24.33 C ATOM 0 H PHE A 68 -1.708 -0.712 -3.972 1.00 30.21 H new ATOM 0 HA PHE A 68 -0.638 2.012 -4.380 1.00 12.33 H new ATOM 0 HB2 PHE A 68 0.109 -0.127 -2.339 1.00 61.43 H new ATOM 0 HB3 PHE A 68 1.110 1.277 -2.651 1.00 61.43 H new ATOM 0 HD1 PHE A 68 -1.045 3.372 -2.946 1.00 55.15 H new ATOM 0 HD2 PHE A 68 -0.549 0.226 -0.116 1.00 62.53 H new ATOM 0 HE1 PHE A 68 -2.303 4.669 -1.283 1.00 74.34 H new ATOM 0 HE2 PHE A 68 -1.812 1.518 1.545 1.00 5.42 H new ATOM 0 HZ PHE A 68 -2.694 3.742 0.964 1.00 24.33 H new ATOM 1131 N LYS A 69 1.642 1.192 -5.318 1.00 14.41 N ATOM 1132 CA LYS A 69 2.771 0.773 -6.157 1.00 13.14 C ATOM 1133 C LYS A 69 4.108 1.210 -5.535 1.00 62.25 C ATOM 1134 O LYS A 69 4.188 2.266 -4.903 1.00 32.11 O ATOM 1135 CB LYS A 69 2.632 1.379 -7.561 1.00 52.52 C ATOM 1136 CG LYS A 69 3.789 1.043 -8.498 1.00 11.23 C ATOM 1137 CD LYS A 69 3.610 1.665 -9.879 1.00 1.42 C ATOM 1138 CE LYS A 69 3.597 3.188 -9.822 1.00 0.14 C ATOM 1139 NZ LYS A 69 3.483 3.786 -11.179 1.00 5.31 N ATOM 0 H LYS A 69 1.722 2.146 -4.965 1.00 14.41 H new ATOM 0 HA LYS A 69 2.760 -0.315 -6.227 1.00 13.14 H new ATOM 0 HB2 LYS A 69 1.702 1.027 -8.007 1.00 52.52 H new ATOM 0 HB3 LYS A 69 2.553 2.462 -7.472 1.00 52.52 H new ATOM 0 HG2 LYS A 69 4.723 1.396 -8.061 1.00 11.23 H new ATOM 0 HG3 LYS A 69 3.872 -0.039 -8.597 1.00 11.23 H new ATOM 0 HD2 LYS A 69 4.416 1.334 -10.533 1.00 1.42 H new ATOM 0 HD3 LYS A 69 2.677 1.311 -10.318 1.00 1.42 H new ATOM 0 HE2 LYS A 69 2.763 3.522 -9.205 1.00 0.14 H new ATOM 0 HE3 LYS A 69 4.510 3.543 -9.343 1.00 0.14 H new ATOM 0 HZ1 LYS A 69 3.477 4.823 -11.102 1.00 5.31 H new ATOM 0 HZ2 LYS A 69 4.292 3.486 -11.759 1.00 5.31 H new ATOM 0 HZ3 LYS A 69 2.600 3.467 -11.626 1.00 5.31 H new ATOM 1153 N TYR A 70 5.159 0.410 -5.721 1.00 55.34 N ATOM 1154 CA TYR A 70 6.493 0.771 -5.233 1.00 4.11 C ATOM 1155 C TYR A 70 7.247 1.584 -6.298 1.00 22.20 C ATOM 1156 O TYR A 70 7.209 1.256 -7.483 1.00 51.20 O ATOM 1157 CB TYR A 70 7.298 -0.486 -4.863 1.00 45.13 C ATOM 1158 CG TYR A 70 8.589 -0.182 -4.120 1.00 14.41 C ATOM 1159 CD1 TYR A 70 9.742 0.192 -4.802 1.00 20.04 C ATOM 1160 CD2 TYR A 70 8.646 -0.257 -2.732 1.00 71.32 C ATOM 1161 CE1 TYR A 70 10.910 0.484 -4.125 1.00 63.21 C ATOM 1162 CE2 TYR A 70 9.811 0.030 -2.049 1.00 70.52 C ATOM 1163 CZ TYR A 70 10.940 0.401 -2.748 1.00 14.52 C ATOM 1164 OH TYR A 70 12.102 0.689 -2.066 1.00 61.43 O ATOM 0 H TYR A 70 5.114 -0.488 -6.203 1.00 55.34 H new ATOM 0 HA TYR A 70 6.375 1.381 -4.338 1.00 4.11 H new ATOM 0 HB2 TYR A 70 6.678 -1.137 -4.246 1.00 45.13 H new ATOM 0 HB3 TYR A 70 7.533 -1.038 -5.773 1.00 45.13 H new ATOM 0 HD1 TYR A 70 9.724 0.255 -5.880 1.00 20.04 H new ATOM 0 HD2 TYR A 70 7.764 -0.545 -2.179 1.00 71.32 H new ATOM 0 HE1 TYR A 70 11.795 0.776 -4.671 1.00 63.21 H new ATOM 0 HE2 TYR A 70 9.838 -0.036 -0.971 1.00 70.52 H new ATOM 0 HH TYR A 70 11.951 0.583 -1.104 1.00 61.43 H new ATOM 1174 N ILE A 71 7.927 2.644 -5.873 1.00 54.43 N ATOM 1175 CA ILE A 71 8.628 3.547 -6.799 1.00 23.12 C ATOM 1176 C ILE A 71 10.069 3.853 -6.344 1.00 64.23 C ATOM 1177 O ILE A 71 10.346 3.945 -5.146 1.00 43.21 O ATOM 1178 CB ILE A 71 7.844 4.874 -6.957 1.00 42.35 C ATOM 1179 CG1 ILE A 71 7.483 5.444 -5.574 1.00 54.03 C ATOM 1180 CG2 ILE A 71 6.590 4.661 -7.804 1.00 31.12 C ATOM 1181 CD1 ILE A 71 6.769 6.778 -5.621 1.00 4.44 C ATOM 0 H ILE A 71 8.012 2.905 -4.891 1.00 54.43 H new ATOM 0 HA ILE A 71 8.684 3.033 -7.758 1.00 23.12 H new ATOM 0 HB ILE A 71 8.478 5.596 -7.472 1.00 42.35 H new ATOM 0 HG12 ILE A 71 6.853 4.725 -5.050 1.00 54.03 H new ATOM 0 HG13 ILE A 71 8.396 5.553 -4.989 1.00 54.03 H new ATOM 0 HG21 ILE A 71 6.053 5.605 -7.903 1.00 31.12 H new ATOM 0 HG22 ILE A 71 6.875 4.300 -8.792 1.00 31.12 H new ATOM 0 HG23 ILE A 71 5.946 3.926 -7.322 1.00 31.12 H new ATOM 0 HD11 ILE A 71 6.551 7.110 -4.606 1.00 4.44 H new ATOM 0 HD12 ILE A 71 7.404 7.514 -6.114 1.00 4.44 H new ATOM 0 HD13 ILE A 71 5.837 6.673 -6.177 1.00 4.44 H new