USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 651 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 32 TYR OH : rot -173:sc= 1.25 USER MOD Set 1.2: A 52 LYS NZ :NH3+ -148:sc= 1.83 (180deg=-1.06) USER MOD Set 2.1: A 11 ASN : amide:sc= 0.156 K(o=1.7,f=-4.1!) USER MOD Set 2.2: A 70 TYR OH : rot -5:sc= 1.5 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0328) USER MOD Single : A 14 MET CE :methyl 180:sc= -0.124 (180deg=-0.124) USER MOD Single : A 24 LYS NZ :NH3+ 143:sc= 0 (180deg=-0.0908) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.243 X(o=0.24,f=-0.24) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HE2:sc= 0.0635 K(o=0.064,f=-0.83) USER MOD Single : A 50 MET CE :methyl 171:sc= -0.609 (180deg=-0.864) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -167:sc= -0.0369 (180deg=-0.311) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -1.76! C(o=-1.8!,f=-5.2!) USER MOD Single : A 82 MET CE :methyl -176:sc= 0 (180deg=-0.0164) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.311 7.349 3.821 1.00 22.34 N ATOM 2 CA GLY A 1 -19.120 6.582 2.852 1.00 61.33 C ATOM 3 C GLY A 1 -18.213 5.844 1.886 1.00 35.34 C ATOM 4 O GLY A 1 -17.557 4.887 2.299 1.00 24.20 O ATOM 0 H1 GLY A 1 -18.941 7.851 4.479 1.00 22.34 H new ATOM 0 H2 GLY A 1 -17.700 6.698 4.355 1.00 22.34 H new ATOM 0 H3 GLY A 1 -17.721 8.038 3.312 1.00 22.34 H new ATOM 0 HA2 GLY A 1 -19.757 5.872 3.379 1.00 61.33 H new ATOM 0 HA3 GLY A 1 -19.779 7.255 2.303 1.00 61.33 H new ATOM 8 N MET A 2 -18.138 6.258 0.615 1.00 44.42 N ATOM 9 CA MET A 2 -16.979 5.915 -0.216 1.00 3.33 C ATOM 10 C MET A 2 -15.777 6.773 0.243 1.00 32.43 C ATOM 11 O MET A 2 -15.822 7.382 1.313 1.00 35.33 O ATOM 12 CB MET A 2 -17.261 6.093 -1.716 1.00 13.02 C ATOM 13 CG MET A 2 -18.385 5.241 -2.305 1.00 74.45 C ATOM 14 SD MET A 2 -20.059 5.902 -2.137 1.00 64.33 S ATOM 15 CE MET A 2 -20.747 5.346 -3.724 1.00 31.32 C ATOM 0 H MET A 2 -18.850 6.819 0.148 1.00 44.42 H new ATOM 0 HA MET A 2 -16.749 4.858 -0.084 1.00 3.33 H new ATOM 0 HB2 MET A 2 -17.498 7.142 -1.896 1.00 13.02 H new ATOM 0 HB3 MET A 2 -16.344 5.874 -2.264 1.00 13.02 H new ATOM 0 HG2 MET A 2 -18.181 5.090 -3.365 1.00 74.45 H new ATOM 0 HG3 MET A 2 -18.355 4.260 -1.832 1.00 74.45 H new ATOM 0 HE1 MET A 2 -21.786 5.665 -3.802 1.00 31.32 H new ATOM 0 HE2 MET A 2 -20.172 5.780 -4.542 1.00 31.32 H new ATOM 0 HE3 MET A 2 -20.696 4.259 -3.782 1.00 31.32 H new ATOM 25 N GLN A 3 -14.677 6.795 -0.519 1.00 13.00 N ATOM 26 CA GLN A 3 -13.332 7.189 -0.105 1.00 51.42 C ATOM 27 C GLN A 3 -12.880 6.504 1.198 1.00 4.41 C ATOM 28 O GLN A 3 -12.009 7.039 1.883 1.00 41.22 O ATOM 29 CB GLN A 3 -13.192 8.726 -0.059 1.00 73.42 C ATOM 30 CG GLN A 3 -13.341 9.399 -1.437 1.00 73.25 C ATOM 31 CD GLN A 3 -12.593 10.732 -1.533 1.00 51.44 C ATOM 32 OE1 GLN A 3 -13.171 11.813 -1.458 1.00 54.32 O ATOM 33 NE2 GLN A 3 -11.289 10.691 -1.728 1.00 35.52 N ATOM 0 H GLN A 3 -14.708 6.521 -1.501 1.00 13.00 H new ATOM 0 HA GLN A 3 -12.642 6.827 -0.868 1.00 51.42 H new ATOM 0 HB2 GLN A 3 -13.945 9.131 0.618 1.00 73.42 H new ATOM 0 HB3 GLN A 3 -12.218 8.982 0.358 1.00 73.42 H new ATOM 0 HG2 GLN A 3 -12.970 8.723 -2.208 1.00 73.25 H new ATOM 0 HG3 GLN A 3 -14.398 9.566 -1.642 1.00 73.25 H new ATOM 0 HE21 GLN A 3 -10.811 9.792 -1.790 1.00 35.52 H new ATOM 0 HE22 GLN A 3 -10.759 11.558 -1.817 1.00 35.52 H new ATOM 42 N PHE A 4 -13.454 5.345 1.555 1.00 71.31 N ATOM 43 CA PHE A 4 -13.331 4.765 2.896 1.00 1.11 C ATOM 44 C PHE A 4 -13.340 3.245 2.894 1.00 41.02 C ATOM 45 O PHE A 4 -12.523 2.607 3.545 1.00 72.51 O ATOM 46 CB PHE A 4 -14.451 5.285 3.793 1.00 33.30 C ATOM 47 CG PHE A 4 -13.942 6.017 5.008 1.00 40.13 C ATOM 48 CD1 PHE A 4 -13.458 7.322 4.841 1.00 60.31 C ATOM 49 CD2 PHE A 4 -13.908 5.413 6.277 1.00 4.31 C ATOM 50 CE1 PHE A 4 -12.895 8.016 5.918 1.00 72.12 C ATOM 51 CE2 PHE A 4 -13.362 6.119 7.364 1.00 1.33 C ATOM 52 CZ PHE A 4 -12.846 7.416 7.188 1.00 1.41 C ATOM 0 H PHE A 4 -14.018 4.783 0.917 1.00 71.31 H new ATOM 0 HA PHE A 4 -12.360 5.076 3.283 1.00 1.11 H new ATOM 0 HB2 PHE A 4 -15.091 5.952 3.216 1.00 33.30 H new ATOM 0 HB3 PHE A 4 -15.070 4.447 4.114 1.00 33.30 H new ATOM 0 HD1 PHE A 4 -13.520 7.796 3.873 1.00 60.31 H new ATOM 0 HD2 PHE A 4 -14.298 4.415 6.416 1.00 4.31 H new ATOM 0 HE1 PHE A 4 -12.499 9.010 5.774 1.00 72.12 H new ATOM 0 HE2 PHE A 4 -13.339 5.662 8.342 1.00 1.33 H new ATOM 0 HZ PHE A 4 -12.415 7.947 8.024 1.00 1.41 H new ATOM 62 N LYS A 5 -14.240 2.614 2.151 1.00 64.14 N ATOM 63 CA LYS A 5 -14.108 1.176 1.930 1.00 33.52 C ATOM 64 C LYS A 5 -12.852 0.903 1.112 1.00 44.05 C ATOM 65 O LYS A 5 -12.070 0.017 1.447 1.00 34.10 O ATOM 66 CB LYS A 5 -15.393 0.615 1.307 1.00 73.42 C ATOM 67 CG LYS A 5 -16.366 0.063 2.361 1.00 53.22 C ATOM 68 CD LYS A 5 -15.799 -1.072 3.237 1.00 60.33 C ATOM 69 CE LYS A 5 -15.478 -0.562 4.650 1.00 0.22 C ATOM 70 NZ LYS A 5 -14.755 -1.568 5.453 1.00 20.14 N ATOM 0 H LYS A 5 -15.044 3.054 1.704 1.00 64.14 H new ATOM 0 HA LYS A 5 -13.984 0.650 2.877 1.00 33.52 H new ATOM 0 HB2 LYS A 5 -15.889 1.400 0.736 1.00 73.42 H new ATOM 0 HB3 LYS A 5 -15.136 -0.177 0.604 1.00 73.42 H new ATOM 0 HG2 LYS A 5 -16.678 0.881 3.010 1.00 53.22 H new ATOM 0 HG3 LYS A 5 -17.260 -0.301 1.854 1.00 53.22 H new ATOM 0 HD2 LYS A 5 -16.520 -1.888 3.295 1.00 60.33 H new ATOM 0 HD3 LYS A 5 -14.897 -1.476 2.778 1.00 60.33 H new ATOM 0 HE2 LYS A 5 -14.877 0.345 4.580 1.00 0.22 H new ATOM 0 HE3 LYS A 5 -16.405 -0.292 5.157 1.00 0.22 H new ATOM 0 HZ1 LYS A 5 -14.559 -1.182 6.399 1.00 20.14 H new ATOM 0 HZ2 LYS A 5 -15.338 -2.425 5.543 1.00 20.14 H new ATOM 0 HZ3 LYS A 5 -13.858 -1.807 4.984 1.00 20.14 H new ATOM 84 N ALA A 6 -12.619 1.703 0.071 1.00 33.50 N ATOM 85 CA ALA A 6 -11.446 1.569 -0.771 1.00 4.31 C ATOM 86 C ALA A 6 -10.180 1.911 0.012 1.00 73.54 C ATOM 87 O ALA A 6 -9.173 1.246 -0.195 1.00 12.34 O ATOM 88 CB ALA A 6 -11.583 2.469 -2.005 1.00 34.52 C ATOM 0 H ALA A 6 -13.243 2.461 -0.206 1.00 33.50 H new ATOM 0 HA ALA A 6 -11.366 0.533 -1.102 1.00 4.31 H new ATOM 0 HB1 ALA A 6 -10.698 2.363 -2.633 1.00 34.52 H new ATOM 0 HB2 ALA A 6 -12.467 2.177 -2.572 1.00 34.52 H new ATOM 0 HB3 ALA A 6 -11.681 3.507 -1.689 1.00 34.52 H new ATOM 94 N GLU A 7 -10.230 2.931 0.879 1.00 3.32 N ATOM 95 CA GLU A 7 -9.055 3.578 1.471 1.00 55.23 C ATOM 96 C GLU A 7 -8.108 2.550 2.091 1.00 1.22 C ATOM 97 O GLU A 7 -6.964 2.398 1.658 1.00 34.53 O ATOM 98 CB GLU A 7 -9.487 4.761 2.375 1.00 2.13 C ATOM 99 CG GLU A 7 -9.860 4.548 3.845 1.00 4.32 C ATOM 100 CD GLU A 7 -8.795 4.109 4.842 1.00 51.35 C ATOM 101 OE1 GLU A 7 -7.588 4.326 4.629 1.00 72.35 O ATOM 102 OE2 GLU A 7 -9.221 3.521 5.869 1.00 31.50 O ATOM 0 H GLU A 7 -11.110 3.338 1.195 1.00 3.32 H new ATOM 0 HA GLU A 7 -8.445 4.042 0.696 1.00 55.23 H new ATOM 0 HB2 GLU A 7 -8.675 5.488 2.356 1.00 2.13 H new ATOM 0 HB3 GLU A 7 -10.346 5.230 1.895 1.00 2.13 H new ATOM 0 HG2 GLU A 7 -10.282 5.484 4.212 1.00 4.32 H new ATOM 0 HG3 GLU A 7 -10.657 3.805 3.873 1.00 4.32 H new ATOM 109 N ALA A 8 -8.632 1.753 3.020 1.00 74.14 N ATOM 110 CA ALA A 8 -7.799 0.808 3.751 1.00 55.22 C ATOM 111 C ALA A 8 -7.379 -0.351 2.851 1.00 32.52 C ATOM 112 O ALA A 8 -6.236 -0.794 2.933 1.00 72.15 O ATOM 113 CB ALA A 8 -8.538 0.286 4.979 1.00 32.21 C ATOM 0 H ALA A 8 -9.618 1.744 3.280 1.00 74.14 H new ATOM 0 HA ALA A 8 -6.900 1.329 4.081 1.00 55.22 H new ATOM 0 HB1 ALA A 8 -7.902 -0.419 5.514 1.00 32.21 H new ATOM 0 HB2 ALA A 8 -8.788 1.120 5.635 1.00 32.21 H new ATOM 0 HB3 ALA A 8 -9.453 -0.216 4.666 1.00 32.21 H new ATOM 119 N ARG A 9 -8.273 -0.865 1.993 1.00 1.34 N ATOM 120 CA ARG A 9 -7.942 -2.001 1.128 1.00 60.14 C ATOM 121 C ARG A 9 -6.847 -1.618 0.133 1.00 22.53 C ATOM 122 O ARG A 9 -5.966 -2.426 -0.149 1.00 11.03 O ATOM 123 CB ARG A 9 -9.223 -2.526 0.448 1.00 45.15 C ATOM 124 CG ARG A 9 -9.055 -3.783 -0.430 1.00 54.44 C ATOM 125 CD ARG A 9 -8.287 -4.918 0.259 1.00 65.44 C ATOM 126 NE ARG A 9 -8.731 -6.257 -0.168 1.00 2.32 N ATOM 127 CZ ARG A 9 -8.292 -7.416 0.347 1.00 72.13 C ATOM 128 NH1 ARG A 9 -7.521 -7.402 1.430 1.00 72.14 N ATOM 129 NH2 ARG A 9 -8.607 -8.564 -0.238 1.00 34.33 N ATOM 0 H ARG A 9 -9.224 -0.513 1.882 1.00 1.34 H new ATOM 0 HA ARG A 9 -7.537 -2.818 1.726 1.00 60.14 H new ATOM 0 HB2 ARG A 9 -9.959 -2.743 1.222 1.00 45.15 H new ATOM 0 HB3 ARG A 9 -9.636 -1.728 -0.169 1.00 45.15 H new ATOM 0 HG2 ARG A 9 -10.041 -4.147 -0.720 1.00 54.44 H new ATOM 0 HG3 ARG A 9 -8.534 -3.508 -1.347 1.00 54.44 H new ATOM 0 HD2 ARG A 9 -7.223 -4.810 0.048 1.00 65.44 H new ATOM 0 HD3 ARG A 9 -8.408 -4.828 1.338 1.00 65.44 H new ATOM 0 HE ARG A 9 -9.426 -6.307 -0.913 1.00 2.32 H new ATOM 0 HH11 ARG A 9 -7.267 -6.514 1.864 1.00 72.14 H new ATOM 0 HH12 ARG A 9 -7.184 -8.279 1.827 1.00 72.14 H new ATOM 0 HH21 ARG A 9 -9.183 -8.566 -1.080 1.00 34.33 H new ATOM 0 HH22 ARG A 9 -8.273 -9.445 0.154 1.00 34.33 H new ATOM 143 N ARG A 10 -6.880 -0.389 -0.379 1.00 43.03 N ATOM 144 CA ARG A 10 -5.882 0.201 -1.264 1.00 22.20 C ATOM 145 C ARG A 10 -4.526 0.179 -0.567 1.00 20.34 C ATOM 146 O ARG A 10 -3.600 -0.450 -1.074 1.00 23.43 O ATOM 147 CB ARG A 10 -6.409 1.601 -1.640 1.00 51.02 C ATOM 148 CG ARG A 10 -5.600 2.353 -2.698 1.00 63.32 C ATOM 149 CD ARG A 10 -5.041 3.688 -2.178 1.00 24.15 C ATOM 150 NE ARG A 10 -6.122 4.598 -1.760 1.00 2.04 N ATOM 151 CZ ARG A 10 -6.027 5.589 -0.857 1.00 72.14 C ATOM 152 NH1 ARG A 10 -4.872 5.895 -0.280 1.00 24.44 N ATOM 153 NH2 ARG A 10 -7.108 6.287 -0.540 1.00 13.12 N ATOM 0 H ARG A 10 -7.645 0.255 -0.176 1.00 43.03 H new ATOM 0 HA ARG A 10 -5.728 -0.351 -2.191 1.00 22.20 H new ATOM 0 HB2 ARG A 10 -7.434 1.499 -1.997 1.00 51.02 H new ATOM 0 HB3 ARG A 10 -6.445 2.210 -0.737 1.00 51.02 H new ATOM 0 HG2 ARG A 10 -4.775 1.724 -3.034 1.00 63.32 H new ATOM 0 HG3 ARG A 10 -6.231 2.541 -3.566 1.00 63.32 H new ATOM 0 HD2 ARG A 10 -4.374 3.502 -1.336 1.00 24.15 H new ATOM 0 HD3 ARG A 10 -4.445 4.163 -2.957 1.00 24.15 H new ATOM 0 HE ARG A 10 -7.032 4.462 -2.199 1.00 2.04 H new ATOM 0 HH11 ARG A 10 -4.029 5.373 -0.519 1.00 24.44 H new ATOM 0 HH12 ARG A 10 -4.827 6.652 0.402 1.00 24.44 H new ATOM 0 HH21 ARG A 10 -8.002 6.070 -0.980 1.00 13.12 H new ATOM 0 HH22 ARG A 10 -7.046 7.041 0.144 1.00 13.12 H new ATOM 167 N ASN A 11 -4.408 0.793 0.606 1.00 42.41 N ATOM 168 CA ASN A 11 -3.116 0.879 1.285 1.00 71.43 C ATOM 169 C ASN A 11 -2.626 -0.491 1.765 1.00 23.14 C ATOM 170 O ASN A 11 -1.444 -0.811 1.633 1.00 13.03 O ATOM 171 CB ASN A 11 -3.214 1.883 2.431 1.00 20.55 C ATOM 172 CG ASN A 11 -3.429 3.305 1.919 1.00 12.03 C ATOM 173 OD1 ASN A 11 -3.093 3.662 0.790 1.00 0.04 O ATOM 174 ND2 ASN A 11 -4.031 4.132 2.735 1.00 74.21 N ATOM 0 H ASN A 11 -5.181 1.235 1.103 1.00 42.41 H new ATOM 0 HA ASN A 11 -2.370 1.230 0.572 1.00 71.43 H new ATOM 0 HB2 ASN A 11 -4.037 1.605 3.089 1.00 20.55 H new ATOM 0 HB3 ASN A 11 -2.302 1.845 3.027 1.00 20.55 H new ATOM 0 HD21 ASN A 11 -4.228 5.088 2.439 1.00 74.21 H new ATOM 0 HD22 ASN A 11 -4.303 3.821 3.667 1.00 74.21 H new ATOM 181 N LYS A 12 -3.526 -1.344 2.272 1.00 32.21 N ATOM 182 CA LYS A 12 -3.202 -2.714 2.689 1.00 60.23 C ATOM 183 C LYS A 12 -2.588 -3.499 1.530 1.00 61.13 C ATOM 184 O LYS A 12 -1.553 -4.138 1.710 1.00 42.05 O ATOM 185 CB LYS A 12 -4.460 -3.395 3.260 1.00 21.12 C ATOM 186 CG LYS A 12 -4.185 -4.792 3.841 1.00 12.34 C ATOM 187 CD LYS A 12 -5.433 -5.343 4.556 1.00 53.13 C ATOM 188 CE LYS A 12 -5.228 -6.695 5.256 1.00 1.23 C ATOM 189 NZ LYS A 12 -4.187 -6.648 6.301 1.00 1.11 N ATOM 0 H LYS A 12 -4.507 -1.100 2.405 1.00 32.21 H new ATOM 0 HA LYS A 12 -2.453 -2.687 3.480 1.00 60.23 H new ATOM 0 HB2 LYS A 12 -4.885 -2.762 4.039 1.00 21.12 H new ATOM 0 HB3 LYS A 12 -5.209 -3.478 2.472 1.00 21.12 H new ATOM 0 HG2 LYS A 12 -3.889 -5.471 3.042 1.00 12.34 H new ATOM 0 HG3 LYS A 12 -3.352 -4.742 4.542 1.00 12.34 H new ATOM 0 HD2 LYS A 12 -5.763 -4.613 5.295 1.00 53.13 H new ATOM 0 HD3 LYS A 12 -6.237 -5.445 3.827 1.00 53.13 H new ATOM 0 HE2 LYS A 12 -6.170 -7.014 5.702 1.00 1.23 H new ATOM 0 HE3 LYS A 12 -4.957 -7.446 4.514 1.00 1.23 H new ATOM 0 HZ1 LYS A 12 -4.150 -7.562 6.796 1.00 1.11 H new ATOM 0 HZ2 LYS A 12 -3.264 -6.454 5.863 1.00 1.11 H new ATOM 0 HZ3 LYS A 12 -4.412 -5.894 6.982 1.00 1.11 H new ATOM 203 N LEU A 13 -3.195 -3.412 0.341 1.00 41.15 N ATOM 204 CA LEU A 13 -2.680 -4.047 -0.865 1.00 42.12 C ATOM 205 C LEU A 13 -1.242 -3.621 -1.139 1.00 24.12 C ATOM 206 O LEU A 13 -0.409 -4.493 -1.384 1.00 61.53 O ATOM 207 CB LEU A 13 -3.552 -3.727 -2.089 1.00 32.50 C ATOM 208 CG LEU A 13 -4.735 -4.672 -2.309 1.00 25.22 C ATOM 209 CD1 LEU A 13 -5.489 -4.217 -3.562 1.00 3.24 C ATOM 210 CD2 LEU A 13 -4.202 -6.095 -2.475 1.00 45.31 C ATOM 0 H LEU A 13 -4.062 -2.895 0.194 1.00 41.15 H new ATOM 0 HA LEU A 13 -2.706 -5.123 -0.692 1.00 42.12 H new ATOM 0 HB2 LEU A 13 -3.933 -2.711 -1.988 1.00 32.50 H new ATOM 0 HB3 LEU A 13 -2.923 -3.745 -2.979 1.00 32.50 H new ATOM 0 HG LEU A 13 -5.418 -4.654 -1.460 1.00 25.22 H new ATOM 0 HD11 LEU A 13 -6.337 -4.879 -3.737 1.00 3.24 H new ATOM 0 HD12 LEU A 13 -5.847 -3.197 -3.421 1.00 3.24 H new ATOM 0 HD13 LEU A 13 -4.820 -4.251 -4.422 1.00 3.24 H new ATOM 0 HD21 LEU A 13 -5.035 -6.780 -2.633 1.00 45.31 H new ATOM 0 HD22 LEU A 13 -3.532 -6.135 -3.334 1.00 45.31 H new ATOM 0 HD23 LEU A 13 -3.658 -6.387 -1.577 1.00 45.31 H new ATOM 222 N MET A 14 -0.933 -2.314 -1.117 1.00 74.42 N ATOM 223 CA MET A 14 0.425 -1.863 -1.354 1.00 52.01 C ATOM 224 C MET A 14 1.381 -2.533 -0.373 1.00 21.42 C ATOM 225 O MET A 14 2.360 -3.137 -0.804 1.00 30.15 O ATOM 226 CB MET A 14 0.486 -0.338 -1.256 1.00 53.41 C ATOM 227 CG MET A 14 1.842 0.202 -1.721 1.00 71.11 C ATOM 228 SD MET A 14 2.195 -0.081 -3.477 1.00 44.00 S ATOM 229 CE MET A 14 3.774 0.799 -3.580 1.00 14.12 C ATOM 0 H MET A 14 -1.605 -1.568 -0.939 1.00 74.42 H new ATOM 0 HA MET A 14 0.736 -2.148 -2.359 1.00 52.01 H new ATOM 0 HB2 MET A 14 -0.308 0.098 -1.862 1.00 53.41 H new ATOM 0 HB3 MET A 14 0.305 -0.031 -0.226 1.00 53.41 H new ATOM 0 HG2 MET A 14 1.881 1.273 -1.523 1.00 71.11 H new ATOM 0 HG3 MET A 14 2.628 -0.261 -1.125 1.00 71.11 H new ATOM 0 HE1 MET A 14 4.159 0.738 -4.598 1.00 14.12 H new ATOM 0 HE2 MET A 14 3.626 1.845 -3.310 1.00 14.12 H new ATOM 0 HE3 MET A 14 4.489 0.345 -2.894 1.00 14.12 H new ATOM 239 N GLY A 15 1.096 -2.478 0.932 1.00 30.44 N ATOM 240 CA GLY A 15 1.997 -3.023 1.941 1.00 70.43 C ATOM 241 C GLY A 15 2.343 -4.495 1.705 1.00 53.00 C ATOM 242 O GLY A 15 3.502 -4.864 1.881 1.00 62.21 O ATOM 0 H GLY A 15 0.246 -2.060 1.310 1.00 30.44 H new ATOM 0 HA2 GLY A 15 2.916 -2.437 1.953 1.00 70.43 H new ATOM 0 HA3 GLY A 15 1.539 -2.917 2.924 1.00 70.43 H new ATOM 246 N LEU A 16 1.383 -5.319 1.267 1.00 1.15 N ATOM 247 CA LEU A 16 1.640 -6.712 0.913 1.00 54.44 C ATOM 248 C LEU A 16 2.654 -6.802 -0.221 1.00 21.15 C ATOM 249 O LEU A 16 3.646 -7.517 -0.096 1.00 70.40 O ATOM 250 CB LEU A 16 0.343 -7.408 0.482 1.00 51.03 C ATOM 251 CG LEU A 16 -0.587 -7.781 1.641 1.00 73.22 C ATOM 252 CD1 LEU A 16 -1.928 -8.238 1.065 1.00 23.13 C ATOM 253 CD2 LEU A 16 0.004 -8.885 2.529 1.00 64.11 C ATOM 0 H LEU A 16 0.410 -5.036 1.150 1.00 1.15 H new ATOM 0 HA LEU A 16 2.042 -7.210 1.796 1.00 54.44 H new ATOM 0 HB2 LEU A 16 -0.195 -6.755 -0.205 1.00 51.03 H new ATOM 0 HB3 LEU A 16 0.596 -8.313 -0.071 1.00 51.03 H new ATOM 0 HG LEU A 16 -0.718 -6.901 2.271 1.00 73.22 H new ATOM 0 HD11 LEU A 16 -2.601 -8.507 1.879 1.00 23.13 H new ATOM 0 HD12 LEU A 16 -2.368 -7.429 0.482 1.00 23.13 H new ATOM 0 HD13 LEU A 16 -1.772 -9.104 0.422 1.00 23.13 H new ATOM 0 HD21 LEU A 16 -0.692 -9.114 3.336 1.00 64.11 H new ATOM 0 HD22 LEU A 16 0.174 -9.780 1.931 1.00 64.11 H new ATOM 0 HD23 LEU A 16 0.950 -8.545 2.951 1.00 64.11 H new ATOM 265 N TRP A 17 2.423 -6.084 -1.320 1.00 62.13 N ATOM 266 CA TRP A 17 3.329 -6.098 -2.461 1.00 10.14 C ATOM 267 C TRP A 17 4.747 -5.684 -2.044 1.00 70.11 C ATOM 268 O TRP A 17 5.715 -6.348 -2.405 1.00 50.20 O ATOM 269 CB TRP A 17 2.778 -5.196 -3.569 1.00 23.42 C ATOM 270 CG TRP A 17 3.728 -5.051 -4.712 1.00 74.20 C ATOM 271 CD1 TRP A 17 4.025 -6.014 -5.611 1.00 71.44 C ATOM 272 CD2 TRP A 17 4.646 -3.951 -4.983 1.00 1.42 C ATOM 273 NE1 TRP A 17 5.048 -5.576 -6.425 1.00 30.03 N ATOM 274 CE2 TRP A 17 5.473 -4.312 -6.083 1.00 43.34 C ATOM 275 CE3 TRP A 17 4.882 -2.693 -4.390 1.00 45.34 C ATOM 276 CZ2 TRP A 17 6.482 -3.468 -6.571 1.00 44.30 C ATOM 277 CZ3 TRP A 17 5.846 -1.814 -4.919 1.00 25.13 C ATOM 278 CH2 TRP A 17 6.653 -2.199 -6.003 1.00 12.54 C ATOM 0 H TRP A 17 1.609 -5.482 -1.441 1.00 62.13 H new ATOM 0 HA TRP A 17 3.397 -7.114 -2.849 1.00 10.14 H new ATOM 0 HB2 TRP A 17 1.836 -5.607 -3.933 1.00 23.42 H new ATOM 0 HB3 TRP A 17 2.558 -4.211 -3.156 1.00 23.42 H new ATOM 0 HD1 TRP A 17 3.538 -6.975 -5.681 1.00 71.44 H new ATOM 0 HE1 TRP A 17 5.443 -6.123 -7.190 1.00 30.03 H new ATOM 0 HE3 TRP A 17 4.315 -2.400 -3.518 1.00 45.34 H new ATOM 0 HZ2 TRP A 17 7.122 -3.794 -7.378 1.00 44.30 H new ATOM 0 HZ3 TRP A 17 5.967 -0.832 -4.486 1.00 25.13 H new ATOM 0 HH2 TRP A 17 7.398 -1.523 -6.395 1.00 12.54 H new ATOM 289 N VAL A 18 4.887 -4.625 -1.245 1.00 14.15 N ATOM 290 CA VAL A 18 6.191 -4.173 -0.762 1.00 71.10 C ATOM 291 C VAL A 18 6.855 -5.304 0.037 1.00 22.35 C ATOM 292 O VAL A 18 8.008 -5.636 -0.213 1.00 4.53 O ATOM 293 CB VAL A 18 6.033 -2.907 0.096 1.00 3.31 C ATOM 294 CG1 VAL A 18 7.388 -2.361 0.568 1.00 41.10 C ATOM 295 CG2 VAL A 18 5.235 -1.773 -0.561 1.00 4.43 C ATOM 0 H VAL A 18 4.104 -4.060 -0.916 1.00 14.15 H new ATOM 0 HA VAL A 18 6.828 -3.921 -1.610 1.00 71.10 H new ATOM 0 HB VAL A 18 5.448 -3.248 0.950 1.00 3.31 H new ATOM 0 HG11 VAL A 18 7.230 -1.467 1.171 1.00 41.10 H new ATOM 0 HG12 VAL A 18 7.896 -3.117 1.167 1.00 41.10 H new ATOM 0 HG13 VAL A 18 8.001 -2.111 -0.298 1.00 41.10 H new ATOM 0 HG21 VAL A 18 5.179 -0.925 0.121 1.00 4.43 H new ATOM 0 HG22 VAL A 18 5.731 -1.466 -1.482 1.00 4.43 H new ATOM 0 HG23 VAL A 18 4.228 -2.122 -0.790 1.00 4.43 H new ATOM 305 N ALA A 19 6.138 -5.904 0.993 1.00 71.02 N ATOM 306 CA ALA A 19 6.600 -7.048 1.776 1.00 74.04 C ATOM 307 C ALA A 19 7.112 -8.193 0.899 1.00 62.12 C ATOM 308 O ALA A 19 8.200 -8.717 1.142 1.00 51.53 O ATOM 309 CB ALA A 19 5.474 -7.475 2.719 1.00 13.22 C ATOM 0 H ALA A 19 5.199 -5.598 1.247 1.00 71.02 H new ATOM 0 HA ALA A 19 7.465 -6.753 2.370 1.00 74.04 H new ATOM 0 HB1 ALA A 19 5.801 -8.329 3.313 1.00 13.22 H new ATOM 0 HB2 ALA A 19 5.221 -6.648 3.382 1.00 13.22 H new ATOM 0 HB3 ALA A 19 4.596 -7.753 2.135 1.00 13.22 H new ATOM 315 N GLU A 20 6.358 -8.545 -0.135 1.00 34.45 N ATOM 316 CA GLU A 20 6.707 -9.568 -1.111 1.00 1.52 C ATOM 317 C GLU A 20 8.001 -9.221 -1.851 1.00 2.32 C ATOM 318 O GLU A 20 8.848 -10.100 -2.004 1.00 73.21 O ATOM 319 CB GLU A 20 5.490 -9.735 -2.021 1.00 50.12 C ATOM 320 CG GLU A 20 5.659 -10.474 -3.353 1.00 13.33 C ATOM 321 CD GLU A 20 4.282 -10.675 -4.004 1.00 3.51 C ATOM 322 OE1 GLU A 20 3.434 -9.749 -3.970 1.00 65.13 O ATOM 323 OE2 GLU A 20 3.983 -11.793 -4.482 1.00 32.20 O ATOM 0 H GLU A 20 5.455 -8.110 -0.323 1.00 34.45 H new ATOM 0 HA GLU A 20 6.929 -10.523 -0.635 1.00 1.52 H new ATOM 0 HB2 GLU A 20 4.720 -10.255 -1.451 1.00 50.12 H new ATOM 0 HB3 GLU A 20 5.105 -8.740 -2.243 1.00 50.12 H new ATOM 0 HG2 GLU A 20 6.308 -9.904 -4.018 1.00 13.33 H new ATOM 0 HG3 GLU A 20 6.140 -11.438 -3.188 1.00 13.33 H new ATOM 330 N VAL A 21 8.180 -7.957 -2.248 1.00 45.40 N ATOM 331 CA VAL A 21 9.402 -7.438 -2.861 1.00 43.11 C ATOM 332 C VAL A 21 10.575 -7.442 -1.867 1.00 41.41 C ATOM 333 O VAL A 21 11.721 -7.601 -2.299 1.00 12.52 O ATOM 334 CB VAL A 21 9.112 -6.029 -3.436 1.00 64.42 C ATOM 335 CG1 VAL A 21 10.365 -5.248 -3.864 1.00 54.53 C ATOM 336 CG2 VAL A 21 8.193 -6.114 -4.664 1.00 43.32 C ATOM 0 H VAL A 21 7.455 -7.247 -2.147 1.00 45.40 H new ATOM 0 HA VAL A 21 9.708 -8.089 -3.680 1.00 43.11 H new ATOM 0 HB VAL A 21 8.640 -5.496 -2.611 1.00 64.42 H new ATOM 0 HG11 VAL A 21 10.071 -4.274 -4.254 1.00 54.53 H new ATOM 0 HG12 VAL A 21 11.020 -5.111 -3.004 1.00 54.53 H new ATOM 0 HG13 VAL A 21 10.894 -5.804 -4.638 1.00 54.53 H new ATOM 0 HG21 VAL A 21 8.005 -5.111 -5.048 1.00 43.32 H new ATOM 0 HG22 VAL A 21 8.673 -6.715 -5.437 1.00 43.32 H new ATOM 0 HG23 VAL A 21 7.248 -6.577 -4.380 1.00 43.32 H new ATOM 346 N LEU A 22 10.342 -7.245 -0.562 1.00 2.13 N ATOM 347 CA LEU A 22 11.398 -7.341 0.436 1.00 42.44 C ATOM 348 C LEU A 22 11.800 -8.790 0.710 1.00 65.43 C ATOM 349 O LEU A 22 12.923 -8.988 1.174 1.00 72.44 O ATOM 350 CB LEU A 22 11.011 -6.605 1.735 1.00 52.42 C ATOM 351 CG LEU A 22 11.533 -5.154 1.753 1.00 63.31 C ATOM 352 CD1 LEU A 22 10.919 -4.278 0.661 1.00 51.22 C ATOM 353 CD2 LEU A 22 11.238 -4.477 3.092 1.00 31.02 C ATOM 0 H LEU A 22 9.424 -7.017 -0.179 1.00 2.13 H new ATOM 0 HA LEU A 22 12.275 -6.843 0.023 1.00 42.44 H new ATOM 0 HB2 LEU A 22 9.926 -6.602 1.841 1.00 52.42 H new ATOM 0 HB3 LEU A 22 11.413 -7.146 2.592 1.00 52.42 H new ATOM 0 HG LEU A 22 12.606 -5.240 1.581 1.00 63.31 H new ATOM 0 HD11 LEU A 22 11.329 -3.270 0.730 1.00 51.22 H new ATOM 0 HD12 LEU A 22 11.152 -4.699 -0.317 1.00 51.22 H new ATOM 0 HD13 LEU A 22 9.837 -4.239 0.791 1.00 51.22 H new ATOM 0 HD21 LEU A 22 11.618 -3.455 3.075 1.00 31.02 H new ATOM 0 HD22 LEU A 22 10.162 -4.461 3.262 1.00 31.02 H new ATOM 0 HD23 LEU A 22 11.724 -5.031 3.895 1.00 31.02 H new ATOM 365 N GLY A 23 10.957 -9.788 0.411 1.00 30.45 N ATOM 366 CA GLY A 23 11.222 -11.176 0.798 1.00 31.45 C ATOM 367 C GLY A 23 10.679 -11.491 2.197 1.00 21.01 C ATOM 368 O GLY A 23 11.131 -12.418 2.875 1.00 32.33 O ATOM 0 H GLY A 23 10.084 -9.657 -0.099 1.00 30.45 H new ATOM 0 HA2 GLY A 23 10.767 -11.849 0.071 1.00 31.45 H new ATOM 0 HA3 GLY A 23 12.296 -11.361 0.775 1.00 31.45 H new ATOM 372 N LYS A 24 9.713 -10.708 2.679 1.00 13.12 N ATOM 373 CA LYS A 24 8.923 -11.087 3.846 1.00 42.43 C ATOM 374 C LYS A 24 8.017 -12.250 3.473 1.00 44.14 C ATOM 375 O LYS A 24 7.727 -12.468 2.293 1.00 24.35 O ATOM 376 CB LYS A 24 8.069 -9.905 4.289 1.00 54.43 C ATOM 377 CG LYS A 24 8.927 -8.791 4.890 1.00 23.25 C ATOM 378 CD LYS A 24 8.051 -7.650 5.406 1.00 5.22 C ATOM 379 CE LYS A 24 8.804 -6.751 6.388 1.00 33.15 C ATOM 380 NZ LYS A 24 10.013 -6.143 5.809 1.00 23.24 N ATOM 0 H LYS A 24 9.460 -9.806 2.276 1.00 13.12 H new ATOM 0 HA LYS A 24 9.586 -11.379 4.660 1.00 42.43 H new ATOM 0 HB2 LYS A 24 7.512 -9.517 3.436 1.00 54.43 H new ATOM 0 HB3 LYS A 24 7.336 -10.239 5.024 1.00 54.43 H new ATOM 0 HG2 LYS A 24 9.530 -9.190 5.706 1.00 23.25 H new ATOM 0 HG3 LYS A 24 9.619 -8.413 4.138 1.00 23.25 H new ATOM 0 HD2 LYS A 24 7.699 -7.053 4.564 1.00 5.22 H new ATOM 0 HD3 LYS A 24 7.169 -8.063 5.895 1.00 5.22 H new ATOM 0 HE2 LYS A 24 8.137 -5.961 6.732 1.00 33.15 H new ATOM 0 HE3 LYS A 24 9.083 -7.336 7.264 1.00 33.15 H new ATOM 0 HZ1 LYS A 24 10.123 -5.175 6.172 1.00 23.24 H new ATOM 0 HZ2 LYS A 24 10.846 -6.708 6.072 1.00 23.24 H new ATOM 0 HZ3 LYS A 24 9.926 -6.116 4.773 1.00 23.24 H new ATOM 394 N SER A 25 7.510 -12.949 4.475 1.00 1.11 N ATOM 395 CA SER A 25 6.514 -13.987 4.300 1.00 41.43 C ATOM 396 C SER A 25 5.686 -14.087 5.581 1.00 1.41 C ATOM 397 O SER A 25 5.984 -13.405 6.565 1.00 61.44 O ATOM 398 CB SER A 25 7.209 -15.300 3.891 1.00 74.04 C ATOM 399 OG SER A 25 8.473 -15.478 4.514 1.00 50.14 O ATOM 0 H SER A 25 7.785 -12.807 5.447 1.00 1.11 H new ATOM 0 HA SER A 25 5.820 -13.753 3.493 1.00 41.43 H new ATOM 0 HB2 SER A 25 6.563 -16.141 4.146 1.00 74.04 H new ATOM 0 HB3 SER A 25 7.339 -15.314 2.809 1.00 74.04 H new ATOM 0 HG SER A 25 8.866 -16.326 4.220 1.00 50.14 H new ATOM 405 N GLY A 26 4.636 -14.909 5.572 1.00 34.31 N ATOM 406 CA GLY A 26 3.752 -15.127 6.706 1.00 10.34 C ATOM 407 C GLY A 26 3.349 -13.821 7.381 1.00 13.41 C ATOM 408 O GLY A 26 2.875 -12.889 6.718 1.00 42.04 O ATOM 0 H GLY A 26 4.374 -15.454 4.751 1.00 34.31 H new ATOM 0 HA2 GLY A 26 2.857 -15.652 6.371 1.00 10.34 H new ATOM 0 HA3 GLY A 26 4.247 -15.772 7.432 1.00 10.34 H new ATOM 412 N ASP A 27 3.525 -13.755 8.700 1.00 10.10 N ATOM 413 CA ASP A 27 3.051 -12.624 9.483 1.00 24.31 C ATOM 414 C ASP A 27 3.916 -11.393 9.326 1.00 62.45 C ATOM 415 O ASP A 27 3.387 -10.305 9.525 1.00 50.22 O ATOM 416 CB ASP A 27 2.899 -12.961 10.971 1.00 5.23 C ATOM 417 CG ASP A 27 1.469 -13.319 11.382 1.00 51.31 C ATOM 418 OD1 ASP A 27 0.525 -13.223 10.557 1.00 22.31 O ATOM 419 OD2 ASP A 27 1.292 -13.716 12.554 1.00 64.11 O ATOM 0 H ASP A 27 3.995 -14.477 9.247 1.00 10.10 H new ATOM 0 HA ASP A 27 2.065 -12.398 9.077 1.00 24.31 H new ATOM 0 HB2 ASP A 27 3.556 -13.796 11.213 1.00 5.23 H new ATOM 0 HB3 ASP A 27 3.234 -12.109 11.563 1.00 5.23 H new ATOM 424 N GLU A 28 5.178 -11.513 8.901 1.00 42.13 N ATOM 425 CA GLU A 28 5.989 -10.348 8.603 1.00 63.50 C ATOM 426 C GLU A 28 5.245 -9.497 7.564 1.00 43.04 C ATOM 427 O GLU A 28 5.033 -8.296 7.759 1.00 25.34 O ATOM 428 CB GLU A 28 7.370 -10.767 8.063 1.00 11.35 C ATOM 429 CG GLU A 28 8.560 -10.627 9.019 1.00 54.11 C ATOM 430 CD GLU A 28 9.835 -10.239 8.248 1.00 50.23 C ATOM 431 OE1 GLU A 28 10.287 -11.009 7.367 1.00 62.42 O ATOM 432 OE2 GLU A 28 10.367 -9.122 8.479 1.00 51.32 O ATOM 0 H GLU A 28 5.651 -12.406 8.759 1.00 42.13 H new ATOM 0 HA GLU A 28 6.152 -9.771 9.513 1.00 63.50 H new ATOM 0 HB2 GLU A 28 7.309 -11.809 7.747 1.00 11.35 H new ATOM 0 HB3 GLU A 28 7.579 -10.176 7.172 1.00 11.35 H new ATOM 0 HG2 GLU A 28 8.340 -9.871 9.773 1.00 54.11 H new ATOM 0 HG3 GLU A 28 8.721 -11.567 9.548 1.00 54.11 H new ATOM 439 N ALA A 29 4.799 -10.121 6.468 1.00 25.12 N ATOM 440 CA ALA A 29 4.081 -9.424 5.410 1.00 62.10 C ATOM 441 C ALA A 29 2.746 -8.857 5.904 1.00 42.35 C ATOM 442 O ALA A 29 2.310 -7.800 5.445 1.00 12.30 O ATOM 443 CB ALA A 29 3.871 -10.374 4.225 1.00 70.41 C ATOM 0 H ALA A 29 4.928 -11.118 6.296 1.00 25.12 H new ATOM 0 HA ALA A 29 4.682 -8.574 5.088 1.00 62.10 H new ATOM 0 HB1 ALA A 29 3.334 -9.854 3.432 1.00 70.41 H new ATOM 0 HB2 ALA A 29 4.839 -10.707 3.850 1.00 70.41 H new ATOM 0 HB3 ALA A 29 3.291 -11.238 4.550 1.00 70.41 H new ATOM 449 N ASN A 30 2.108 -9.534 6.857 1.00 31.13 N ATOM 450 CA ASN A 30 0.806 -9.149 7.387 1.00 52.25 C ATOM 451 C ASN A 30 0.964 -7.926 8.290 1.00 63.35 C ATOM 452 O ASN A 30 0.145 -7.006 8.228 1.00 51.13 O ATOM 453 CB ASN A 30 0.137 -10.291 8.178 1.00 44.44 C ATOM 454 CG ASN A 30 -0.257 -11.507 7.341 1.00 61.11 C ATOM 455 OD1 ASN A 30 -0.779 -11.382 6.235 1.00 74.11 O ATOM 456 ND2 ASN A 30 -0.151 -12.711 7.869 1.00 11.21 N ATOM 0 H ASN A 30 2.488 -10.377 7.287 1.00 31.13 H new ATOM 0 HA ASN A 30 0.162 -8.915 6.540 1.00 52.25 H new ATOM 0 HB2 ASN A 30 0.817 -10.615 8.966 1.00 44.44 H new ATOM 0 HB3 ASN A 30 -0.755 -9.900 8.668 1.00 44.44 H new ATOM 0 HD21 ASN A 30 -0.500 -13.523 7.360 1.00 11.21 H new ATOM 0 HD22 ASN A 30 0.280 -12.830 8.786 1.00 11.21 H new ATOM 463 N ALA A 31 1.983 -7.919 9.151 1.00 30.54 N ATOM 464 CA ALA A 31 2.304 -6.826 10.055 1.00 71.44 C ATOM 465 C ALA A 31 2.772 -5.604 9.269 1.00 12.25 C ATOM 466 O ALA A 31 2.378 -4.476 9.588 1.00 24.12 O ATOM 467 CB ALA A 31 3.385 -7.276 11.042 1.00 74.12 C ATOM 0 H ALA A 31 2.627 -8.705 9.237 1.00 30.54 H new ATOM 0 HA ALA A 31 1.409 -6.549 10.611 1.00 71.44 H new ATOM 0 HB1 ALA A 31 3.624 -6.456 11.719 1.00 74.12 H new ATOM 0 HB2 ALA A 31 3.021 -8.127 11.618 1.00 74.12 H new ATOM 0 HB3 ALA A 31 4.281 -7.566 10.493 1.00 74.12 H new ATOM 473 N TYR A 32 3.564 -5.820 8.218 1.00 71.34 N ATOM 474 CA TYR A 32 4.027 -4.744 7.358 1.00 0.11 C ATOM 475 C TYR A 32 2.839 -4.101 6.631 1.00 71.50 C ATOM 476 O TYR A 32 2.724 -2.877 6.535 1.00 52.23 O ATOM 477 CB TYR A 32 5.079 -5.284 6.389 1.00 24.51 C ATOM 478 CG TYR A 32 5.735 -4.164 5.613 1.00 0.02 C ATOM 479 CD1 TYR A 32 5.103 -3.622 4.480 1.00 62.52 C ATOM 480 CD2 TYR A 32 6.952 -3.612 6.053 1.00 64.42 C ATOM 481 CE1 TYR A 32 5.661 -2.522 3.810 1.00 24.41 C ATOM 482 CE2 TYR A 32 7.494 -2.498 5.410 1.00 12.45 C ATOM 483 CZ TYR A 32 6.833 -1.912 4.313 1.00 53.51 C ATOM 484 OH TYR A 32 7.335 -0.780 3.759 1.00 11.41 O ATOM 0 H TYR A 32 3.898 -6.744 7.944 1.00 71.34 H new ATOM 0 HA TYR A 32 4.496 -3.963 7.956 1.00 0.11 H new ATOM 0 HB2 TYR A 32 5.837 -5.838 6.943 1.00 24.51 H new ATOM 0 HB3 TYR A 32 4.613 -5.985 5.697 1.00 24.51 H new ATOM 0 HD1 TYR A 32 4.181 -4.056 4.122 1.00 62.52 H new ATOM 0 HD2 TYR A 32 7.469 -4.052 6.892 1.00 64.42 H new ATOM 0 HE1 TYR A 32 5.196 -2.142 2.912 1.00 24.41 H new ATOM 0 HE2 TYR A 32 8.428 -2.082 5.757 1.00 12.45 H new ATOM 0 HH TYR A 32 8.201 -0.573 4.167 1.00 11.41 H new ATOM 494 N ALA A 33 1.886 -4.915 6.173 1.00 70.21 N ATOM 495 CA ALA A 33 0.628 -4.440 5.613 1.00 5.34 C ATOM 496 C ALA A 33 -0.326 -3.830 6.667 1.00 60.53 C ATOM 497 O ALA A 33 -1.491 -3.555 6.357 1.00 20.52 O ATOM 498 CB ALA A 33 -0.022 -5.579 4.837 1.00 43.03 C ATOM 0 H ALA A 33 1.971 -5.931 6.182 1.00 70.21 H new ATOM 0 HA ALA A 33 0.846 -3.614 4.936 1.00 5.34 H new ATOM 0 HB1 ALA A 33 -0.966 -5.237 4.412 1.00 43.03 H new ATOM 0 HB2 ALA A 33 0.643 -5.899 4.035 1.00 43.03 H new ATOM 0 HB3 ALA A 33 -0.209 -6.417 5.509 1.00 43.03 H new ATOM 504 N ALA A 34 0.136 -3.599 7.901 1.00 33.42 N ATOM 505 CA ALA A 34 -0.492 -2.705 8.867 1.00 23.51 C ATOM 506 C ALA A 34 0.347 -1.435 9.061 1.00 0.13 C ATOM 507 O ALA A 34 -0.244 -0.363 9.143 1.00 12.11 O ATOM 508 CB ALA A 34 -0.748 -3.432 10.187 1.00 74.21 C ATOM 0 H ALA A 34 0.981 -4.044 8.260 1.00 33.42 H new ATOM 0 HA ALA A 34 -1.460 -2.393 8.475 1.00 23.51 H new ATOM 0 HB1 ALA A 34 -1.217 -2.748 10.894 1.00 74.21 H new ATOM 0 HB2 ALA A 34 -1.408 -4.282 10.012 1.00 74.21 H new ATOM 0 HB3 ALA A 34 0.198 -3.786 10.597 1.00 74.21 H new ATOM 514 N GLU A 35 1.686 -1.510 9.038 1.00 74.23 N ATOM 515 CA GLU A 35 2.580 -0.343 9.060 1.00 51.44 C ATOM 516 C GLU A 35 2.150 0.662 7.982 1.00 12.43 C ATOM 517 O GLU A 35 1.860 1.823 8.268 1.00 63.14 O ATOM 518 CB GLU A 35 4.047 -0.786 8.848 1.00 62.34 C ATOM 519 CG GLU A 35 4.608 -1.521 10.070 1.00 34.33 C ATOM 520 CD GLU A 35 5.915 -2.291 9.815 1.00 62.14 C ATOM 521 OE1 GLU A 35 6.976 -1.682 9.539 1.00 40.24 O ATOM 522 OE2 GLU A 35 5.923 -3.521 10.056 1.00 41.21 O ATOM 0 H GLU A 35 2.186 -2.398 9.003 1.00 74.23 H new ATOM 0 HA GLU A 35 2.511 0.142 10.034 1.00 51.44 H new ATOM 0 HB2 GLU A 35 4.107 -1.436 7.975 1.00 62.34 H new ATOM 0 HB3 GLU A 35 4.663 0.088 8.637 1.00 62.34 H new ATOM 0 HG2 GLU A 35 4.779 -0.796 10.866 1.00 34.33 H new ATOM 0 HG3 GLU A 35 3.855 -2.221 10.433 1.00 34.33 H new ATOM 529 N VAL A 36 2.007 0.196 6.741 1.00 31.24 N ATOM 530 CA VAL A 36 1.647 1.030 5.593 1.00 62.51 C ATOM 531 C VAL A 36 0.230 1.630 5.727 1.00 64.40 C ATOM 532 O VAL A 36 -0.081 2.645 5.099 1.00 43.22 O ATOM 533 CB VAL A 36 1.850 0.161 4.329 1.00 13.35 C ATOM 534 CG1 VAL A 36 1.371 0.813 3.033 1.00 22.34 C ATOM 535 CG2 VAL A 36 3.343 -0.159 4.153 1.00 12.21 C ATOM 0 H VAL A 36 2.140 -0.786 6.501 1.00 31.24 H new ATOM 0 HA VAL A 36 2.287 1.910 5.529 1.00 62.51 H new ATOM 0 HB VAL A 36 1.247 -0.732 4.496 1.00 13.35 H new ATOM 0 HG11 VAL A 36 1.551 0.137 2.197 1.00 22.34 H new ATOM 0 HG12 VAL A 36 0.304 1.025 3.105 1.00 22.34 H new ATOM 0 HG13 VAL A 36 1.916 1.743 2.871 1.00 22.34 H new ATOM 0 HG21 VAL A 36 3.481 -0.771 3.262 1.00 12.21 H new ATOM 0 HG22 VAL A 36 3.904 0.769 4.046 1.00 12.21 H new ATOM 0 HG23 VAL A 36 3.704 -0.703 5.026 1.00 12.21 H new ATOM 545 N VAL A 37 -0.627 1.029 6.550 1.00 42.23 N ATOM 546 CA VAL A 37 -2.023 1.403 6.799 1.00 23.11 C ATOM 547 C VAL A 37 -2.131 2.313 8.030 1.00 34.35 C ATOM 548 O VAL A 37 -3.215 2.759 8.409 1.00 74.24 O ATOM 549 CB VAL A 37 -2.802 0.091 6.988 1.00 21.52 C ATOM 550 CG1 VAL A 37 -4.269 0.244 7.392 1.00 73.43 C ATOM 551 CG2 VAL A 37 -2.730 -0.733 5.696 1.00 2.32 C ATOM 0 H VAL A 37 -0.349 0.214 7.098 1.00 42.23 H new ATOM 0 HA VAL A 37 -2.436 1.971 5.966 1.00 23.11 H new ATOM 0 HB VAL A 37 -2.316 -0.407 7.827 1.00 21.52 H new ATOM 0 HG11 VAL A 37 -4.722 -0.742 7.498 1.00 73.43 H new ATOM 0 HG12 VAL A 37 -4.331 0.776 8.341 1.00 73.43 H new ATOM 0 HG13 VAL A 37 -4.801 0.807 6.625 1.00 73.43 H new ATOM 0 HG21 VAL A 37 -3.282 -1.664 5.827 1.00 2.32 H new ATOM 0 HG22 VAL A 37 -3.169 -0.164 4.876 1.00 2.32 H new ATOM 0 HG23 VAL A 37 -1.689 -0.958 5.465 1.00 2.32 H new ATOM 561 N LYS A 38 -1.022 2.526 8.719 1.00 1.34 N ATOM 562 CA LYS A 38 -0.861 3.473 9.795 1.00 62.12 C ATOM 563 C LYS A 38 -0.106 4.720 9.306 1.00 0.15 C ATOM 564 O LYS A 38 -0.190 5.746 9.972 1.00 73.52 O ATOM 565 CB LYS A 38 -0.197 2.694 10.943 1.00 62.51 C ATOM 566 CG LYS A 38 0.575 3.591 11.889 1.00 2.21 C ATOM 567 CD LYS A 38 1.192 2.809 13.050 1.00 62.32 C ATOM 568 CE LYS A 38 2.652 2.494 12.734 1.00 23.43 C ATOM 569 NZ LYS A 38 3.239 1.595 13.739 1.00 34.42 N ATOM 0 H LYS A 38 -0.164 2.009 8.526 1.00 1.34 H new ATOM 0 HA LYS A 38 -1.802 3.881 10.163 1.00 62.12 H new ATOM 0 HB2 LYS A 38 -0.963 2.156 11.502 1.00 62.51 H new ATOM 0 HB3 LYS A 38 0.478 1.946 10.526 1.00 62.51 H new ATOM 0 HG2 LYS A 38 1.364 4.104 11.339 1.00 2.21 H new ATOM 0 HG3 LYS A 38 -0.090 4.359 12.283 1.00 2.21 H new ATOM 0 HD2 LYS A 38 1.125 3.390 13.970 1.00 62.32 H new ATOM 0 HD3 LYS A 38 0.637 1.885 13.216 1.00 62.32 H new ATOM 0 HE2 LYS A 38 2.721 2.034 11.748 1.00 23.43 H new ATOM 0 HE3 LYS A 38 3.225 3.420 12.694 1.00 23.43 H new ATOM 0 HZ1 LYS A 38 4.231 1.401 13.494 1.00 34.42 H new ATOM 0 HZ2 LYS A 38 3.195 2.045 14.675 1.00 34.42 H new ATOM 0 HZ3 LYS A 38 2.707 0.702 13.759 1.00 34.42 H new ATOM 583 N ALA A 39 0.604 4.676 8.174 1.00 15.43 N ATOM 584 CA ALA A 39 1.340 5.834 7.676 1.00 64.40 C ATOM 585 C ALA A 39 0.711 6.397 6.400 1.00 35.52 C ATOM 586 O ALA A 39 1.400 6.640 5.411 1.00 53.00 O ATOM 587 CB ALA A 39 2.815 5.471 7.472 1.00 43.33 C ATOM 0 H ALA A 39 0.682 3.846 7.586 1.00 15.43 H new ATOM 0 HA ALA A 39 1.284 6.625 8.424 1.00 64.40 H new ATOM 0 HB1 ALA A 39 3.356 6.341 7.100 1.00 43.33 H new ATOM 0 HB2 ALA A 39 3.246 5.154 8.421 1.00 43.33 H new ATOM 0 HB3 ALA A 39 2.893 4.659 6.749 1.00 43.33 H new ATOM 593 N ASP A 40 -0.607 6.555 6.397 1.00 34.43 N ATOM 594 CA ASP A 40 -1.425 7.192 5.363 1.00 61.22 C ATOM 595 C ASP A 40 -2.310 8.302 5.945 1.00 35.44 C ATOM 596 O ASP A 40 -3.022 8.983 5.215 1.00 0.33 O ATOM 597 CB ASP A 40 -2.235 6.129 4.599 1.00 52.24 C ATOM 598 CG ASP A 40 -3.755 6.218 4.803 1.00 62.31 C ATOM 599 OD1 ASP A 40 -4.258 5.695 5.826 1.00 53.20 O ATOM 600 OD2 ASP A 40 -4.453 6.634 3.854 1.00 73.10 O ATOM 0 H ASP A 40 -1.177 6.218 7.173 1.00 34.43 H new ATOM 0 HA ASP A 40 -0.764 7.680 4.647 1.00 61.22 H new ATOM 0 HB2 ASP A 40 -2.018 6.221 3.535 1.00 52.24 H new ATOM 0 HB3 ASP A 40 -1.897 5.140 4.909 1.00 52.24 H new ATOM 605 N PHE A 41 -2.249 8.511 7.259 1.00 11.15 N ATOM 606 CA PHE A 41 -2.967 9.564 7.959 1.00 15.23 C ATOM 607 C PHE A 41 -2.063 10.275 8.966 1.00 24.15 C ATOM 608 O PHE A 41 -2.534 10.756 9.996 1.00 51.02 O ATOM 609 CB PHE A 41 -4.281 9.022 8.539 1.00 21.25 C ATOM 610 CG PHE A 41 -4.227 7.720 9.324 1.00 52.30 C ATOM 611 CD1 PHE A 41 -3.105 7.375 10.098 1.00 31.34 C ATOM 612 CD2 PHE A 41 -5.306 6.821 9.245 1.00 33.11 C ATOM 613 CE1 PHE A 41 -3.054 6.146 10.772 1.00 21.31 C ATOM 614 CE2 PHE A 41 -5.255 5.586 9.916 1.00 34.25 C ATOM 615 CZ PHE A 41 -4.126 5.239 10.678 1.00 63.32 C ATOM 0 H PHE A 41 -1.681 7.934 7.880 1.00 11.15 H new ATOM 0 HA PHE A 41 -3.258 10.342 7.253 1.00 15.23 H new ATOM 0 HB2 PHE A 41 -4.701 9.789 9.190 1.00 21.25 H new ATOM 0 HB3 PHE A 41 -4.980 8.887 7.714 1.00 21.25 H new ATOM 0 HD1 PHE A 41 -2.275 8.062 10.174 1.00 31.34 H new ATOM 0 HD2 PHE A 41 -6.179 7.081 8.665 1.00 33.11 H new ATOM 0 HE1 PHE A 41 -2.188 5.894 11.366 1.00 21.31 H new ATOM 0 HE2 PHE A 41 -6.087 4.901 9.845 1.00 34.25 H new ATOM 0 HZ PHE A 41 -4.082 4.287 11.186 1.00 63.32 H new ATOM 625 N GLU A 42 -0.758 10.293 8.700 1.00 75.50 N ATOM 626 CA GLU A 42 0.237 10.931 9.551 1.00 13.05 C ATOM 627 C GLU A 42 0.300 12.410 9.169 1.00 61.23 C ATOM 628 O GLU A 42 -0.461 13.210 9.719 1.00 11.33 O ATOM 629 CB GLU A 42 1.589 10.206 9.409 1.00 32.31 C ATOM 630 CG GLU A 42 1.616 8.860 10.149 1.00 14.32 C ATOM 631 CD GLU A 42 1.985 9.031 11.627 1.00 33.11 C ATOM 632 OE1 GLU A 42 1.314 9.819 12.331 1.00 52.10 O ATOM 633 OE2 GLU A 42 3.024 8.479 12.061 1.00 43.14 O ATOM 0 H GLU A 42 -0.358 9.855 7.870 1.00 75.50 H new ATOM 0 HA GLU A 42 -0.031 10.864 10.605 1.00 13.05 H new ATOM 0 HB2 GLU A 42 1.799 10.040 8.352 1.00 32.31 H new ATOM 0 HB3 GLU A 42 2.383 10.845 9.796 1.00 32.31 H new ATOM 0 HG2 GLU A 42 0.639 8.383 10.071 1.00 14.32 H new ATOM 0 HG3 GLU A 42 2.335 8.196 9.669 1.00 14.32 H new ATOM 640 N GLU A 43 1.097 12.767 8.153 1.00 13.33 N ATOM 641 CA GLU A 43 1.404 14.174 7.828 1.00 74.13 C ATOM 642 C GLU A 43 0.915 14.558 6.439 1.00 54.32 C ATOM 643 O GLU A 43 1.204 15.638 5.929 1.00 31.41 O ATOM 644 CB GLU A 43 2.935 14.355 7.776 1.00 3.11 C ATOM 645 CG GLU A 43 3.699 13.600 8.852 1.00 13.35 C ATOM 646 CD GLU A 43 3.503 14.173 10.259 1.00 64.40 C ATOM 647 OE1 GLU A 43 3.589 15.412 10.453 1.00 21.32 O ATOM 648 OE2 GLU A 43 3.312 13.389 11.213 1.00 0.22 O ATOM 0 H GLU A 43 1.548 12.094 7.533 1.00 13.33 H new ATOM 0 HA GLU A 43 0.919 14.785 8.589 1.00 74.13 H new ATOM 0 HB2 GLU A 43 3.293 14.030 6.799 1.00 3.11 H new ATOM 0 HB3 GLU A 43 3.165 15.417 7.863 1.00 3.11 H new ATOM 0 HG2 GLU A 43 3.383 12.557 8.846 1.00 13.35 H new ATOM 0 HG3 GLU A 43 4.761 13.613 8.608 1.00 13.35 H new ATOM 655 N ALA A 44 0.121 13.666 5.880 1.00 61.42 N ATOM 656 CA ALA A 44 -0.631 13.755 4.628 1.00 12.23 C ATOM 657 C ALA A 44 -1.297 12.409 4.338 1.00 54.11 C ATOM 658 O ALA A 44 -0.916 11.399 4.937 1.00 64.50 O ATOM 659 CB ALA A 44 0.306 14.094 3.457 1.00 22.53 C ATOM 0 H ALA A 44 -0.034 12.765 6.333 1.00 61.42 H new ATOM 0 HA ALA A 44 -1.380 14.540 4.732 1.00 12.23 H new ATOM 0 HB1 ALA A 44 -0.272 14.156 2.535 1.00 22.53 H new ATOM 0 HB2 ALA A 44 0.792 15.051 3.645 1.00 22.53 H new ATOM 0 HB3 ALA A 44 1.063 13.316 3.359 1.00 22.53 H new ATOM 665 N GLY A 45 -2.171 12.397 3.326 1.00 3.22 N ATOM 666 CA GLY A 45 -2.901 11.243 2.829 1.00 62.34 C ATOM 667 C GLY A 45 -2.011 10.249 2.087 1.00 53.24 C ATOM 668 O GLY A 45 -1.751 9.151 2.574 1.00 22.33 O ATOM 0 H GLY A 45 -2.395 13.246 2.807 1.00 3.22 H new ATOM 0 HA2 GLY A 45 -3.383 10.737 3.666 1.00 62.34 H new ATOM 0 HA3 GLY A 45 -3.694 11.581 2.162 1.00 62.34 H new ATOM 672 N HIS A 46 -1.520 10.604 0.895 1.00 21.32 N ATOM 673 CA HIS A 46 -0.669 9.718 0.096 1.00 2.23 C ATOM 674 C HIS A 46 0.559 10.460 -0.417 1.00 20.41 C ATOM 675 O HIS A 46 0.809 10.552 -1.623 1.00 23.23 O ATOM 676 CB HIS A 46 -1.468 9.003 -0.996 1.00 24.55 C ATOM 677 CG HIS A 46 -2.249 9.861 -1.962 1.00 12.44 C ATOM 678 ND1 HIS A 46 -1.887 11.085 -2.487 1.00 53.00 N ATOM 679 CD2 HIS A 46 -3.439 9.504 -2.532 1.00 2.44 C ATOM 680 CE1 HIS A 46 -2.846 11.465 -3.344 1.00 61.44 C ATOM 681 NE2 HIS A 46 -3.825 10.539 -3.395 1.00 53.04 N ATOM 0 H HIS A 46 -1.700 11.509 0.459 1.00 21.32 H new ATOM 0 HA HIS A 46 -0.291 8.923 0.739 1.00 2.23 H new ATOM 0 HB2 HIS A 46 -0.775 8.391 -1.574 1.00 24.55 H new ATOM 0 HB3 HIS A 46 -2.167 8.322 -0.510 1.00 24.55 H new ATOM 0 HD1 HIS A 46 -1.040 11.608 -2.263 1.00 53.00 H new ATOM 0 HD2 HIS A 46 -3.984 8.589 -2.350 1.00 2.44 H new ATOM 0 HE1 HIS A 46 -2.836 12.383 -3.913 1.00 61.44 H new ATOM 689 N GLU A 47 1.323 11.002 0.525 1.00 54.03 N ATOM 690 CA GLU A 47 2.481 11.826 0.244 1.00 43.11 C ATOM 691 C GLU A 47 3.634 11.322 1.108 1.00 64.12 C ATOM 692 O GLU A 47 4.676 10.938 0.567 1.00 11.52 O ATOM 693 CB GLU A 47 2.084 13.296 0.448 1.00 72.32 C ATOM 694 CG GLU A 47 3.037 14.304 -0.200 1.00 32.21 C ATOM 695 CD GLU A 47 2.309 15.593 -0.592 1.00 13.31 C ATOM 696 OE1 GLU A 47 1.623 16.199 0.261 1.00 53.24 O ATOM 697 OE2 GLU A 47 2.356 15.976 -1.783 1.00 64.22 O ATOM 0 H GLU A 47 1.147 10.876 1.522 1.00 54.03 H new ATOM 0 HA GLU A 47 2.830 11.759 -0.786 1.00 43.11 H new ATOM 0 HB2 GLU A 47 1.083 13.449 0.044 1.00 72.32 H new ATOM 0 HB3 GLU A 47 2.031 13.500 1.517 1.00 72.32 H new ATOM 0 HG2 GLU A 47 3.846 14.538 0.492 1.00 32.21 H new ATOM 0 HG3 GLU A 47 3.493 13.859 -1.085 1.00 32.21 H new ATOM 704 N ASP A 48 3.420 11.188 2.422 1.00 71.33 N ATOM 705 CA ASP A 48 4.377 10.498 3.284 1.00 12.22 C ATOM 706 C ASP A 48 4.423 9.015 2.948 1.00 34.13 C ATOM 707 O ASP A 48 5.509 8.456 2.949 1.00 43.22 O ATOM 708 CB ASP A 48 4.066 10.656 4.773 1.00 42.20 C ATOM 709 CG ASP A 48 5.267 10.151 5.578 1.00 54.11 C ATOM 710 OD1 ASP A 48 6.359 10.750 5.431 1.00 41.33 O ATOM 711 OD2 ASP A 48 5.148 9.234 6.414 1.00 1.01 O ATOM 0 H ASP A 48 2.597 11.547 2.906 1.00 71.33 H new ATOM 0 HA ASP A 48 5.344 10.964 3.094 1.00 12.22 H new ATOM 0 HB2 ASP A 48 3.865 11.701 5.009 1.00 42.20 H new ATOM 0 HB3 ASP A 48 3.171 10.092 5.035 1.00 42.20 H new ATOM 716 N VAL A 49 3.291 8.403 2.557 1.00 4.43 N ATOM 717 CA VAL A 49 3.209 7.003 2.113 1.00 3.32 C ATOM 718 C VAL A 49 4.349 6.680 1.130 1.00 12.41 C ATOM 719 O VAL A 49 4.939 5.600 1.187 1.00 43.42 O ATOM 720 CB VAL A 49 1.834 6.736 1.441 1.00 2.14 C ATOM 721 CG1 VAL A 49 1.762 5.372 0.739 1.00 1.41 C ATOM 722 CG2 VAL A 49 0.655 6.778 2.422 1.00 52.22 C ATOM 0 H VAL A 49 2.389 8.879 2.541 1.00 4.43 H new ATOM 0 HA VAL A 49 3.310 6.357 2.985 1.00 3.32 H new ATOM 0 HB VAL A 49 1.752 7.547 0.717 1.00 2.14 H new ATOM 0 HG11 VAL A 49 0.777 5.246 0.290 1.00 1.41 H new ATOM 0 HG12 VAL A 49 2.525 5.322 -0.038 1.00 1.41 H new ATOM 0 HG13 VAL A 49 1.933 4.579 1.467 1.00 1.41 H new ATOM 0 HG21 VAL A 49 -0.273 6.583 1.884 1.00 52.22 H new ATOM 0 HG22 VAL A 49 0.795 6.019 3.192 1.00 52.22 H new ATOM 0 HG23 VAL A 49 0.604 7.762 2.888 1.00 52.22 H new ATOM 732 N MET A 50 4.652 7.603 0.208 1.00 23.03 N ATOM 733 CA MET A 50 5.707 7.401 -0.772 1.00 31.03 C ATOM 734 C MET A 50 7.063 7.359 -0.065 1.00 13.54 C ATOM 735 O MET A 50 7.763 6.360 -0.169 1.00 55.34 O ATOM 736 CB MET A 50 5.661 8.460 -1.881 1.00 4.23 C ATOM 737 CG MET A 50 4.318 8.603 -2.613 1.00 75.24 C ATOM 738 SD MET A 50 3.874 7.414 -3.910 1.00 42.23 S ATOM 739 CE MET A 50 3.258 5.996 -2.973 1.00 62.10 C ATOM 0 H MET A 50 4.173 8.500 0.127 1.00 23.03 H new ATOM 0 HA MET A 50 5.551 6.442 -1.266 1.00 31.03 H new ATOM 0 HB2 MET A 50 5.921 9.425 -1.447 1.00 4.23 H new ATOM 0 HB3 MET A 50 6.430 8.223 -2.616 1.00 4.23 H new ATOM 0 HG2 MET A 50 3.531 8.573 -1.860 1.00 75.24 H new ATOM 0 HG3 MET A 50 4.294 9.597 -3.060 1.00 75.24 H new ATOM 0 HE1 MET A 50 2.811 5.274 -3.657 1.00 62.10 H new ATOM 0 HE2 MET A 50 4.084 5.526 -2.439 1.00 62.10 H new ATOM 0 HE3 MET A 50 2.507 6.331 -2.258 1.00 62.10 H new ATOM 749 N ARG A 51 7.460 8.389 0.687 1.00 71.04 N ATOM 750 CA ARG A 51 8.752 8.378 1.360 1.00 55.52 C ATOM 751 C ARG A 51 8.867 7.222 2.358 1.00 1.41 C ATOM 752 O ARG A 51 9.924 6.595 2.435 1.00 23.45 O ATOM 753 CB ARG A 51 8.962 9.745 2.012 1.00 53.30 C ATOM 754 CG ARG A 51 9.371 10.797 0.963 1.00 71.21 C ATOM 755 CD ARG A 51 10.171 11.942 1.586 1.00 52.24 C ATOM 756 NE ARG A 51 9.372 12.702 2.557 1.00 74.42 N ATOM 757 CZ ARG A 51 9.737 13.080 3.783 1.00 73.01 C ATOM 758 NH1 ARG A 51 10.958 12.859 4.264 1.00 72.13 N ATOM 759 NH2 ARG A 51 8.845 13.721 4.523 1.00 55.12 N ATOM 0 H ARG A 51 6.907 9.232 0.842 1.00 71.04 H new ATOM 0 HA ARG A 51 9.547 8.205 0.634 1.00 55.52 H new ATOM 0 HB2 ARG A 51 8.045 10.060 2.510 1.00 53.30 H new ATOM 0 HB3 ARG A 51 9.733 9.672 2.779 1.00 53.30 H new ATOM 0 HG2 ARG A 51 9.966 10.321 0.184 1.00 71.21 H new ATOM 0 HG3 ARG A 51 8.478 11.197 0.483 1.00 71.21 H new ATOM 0 HD2 ARG A 51 11.056 11.540 2.079 1.00 52.24 H new ATOM 0 HD3 ARG A 51 10.520 12.611 0.800 1.00 52.24 H new ATOM 0 HE ARG A 51 8.434 12.970 2.261 1.00 74.42 H new ATOM 0 HH11 ARG A 51 11.654 12.385 3.689 1.00 72.13 H new ATOM 0 HH12 ARG A 51 11.197 13.164 5.207 1.00 72.13 H new ATOM 0 HH21 ARG A 51 7.915 13.910 4.150 1.00 55.12 H new ATOM 0 HH22 ARG A 51 9.088 14.025 5.466 1.00 55.12 H new ATOM 773 N LYS A 52 7.775 6.890 3.050 1.00 43.54 N ATOM 774 CA LYS A 52 7.652 5.761 3.959 1.00 14.33 C ATOM 775 C LYS A 52 8.036 4.464 3.260 1.00 24.45 C ATOM 776 O LYS A 52 8.699 3.631 3.880 1.00 2.15 O ATOM 777 CB LYS A 52 6.211 5.726 4.522 1.00 74.34 C ATOM 778 CG LYS A 52 6.007 4.696 5.644 1.00 11.14 C ATOM 779 CD LYS A 52 5.565 3.305 5.133 1.00 43.14 C ATOM 780 CE LYS A 52 6.135 2.135 5.942 1.00 33.52 C ATOM 781 NZ LYS A 52 7.600 2.225 6.033 1.00 42.33 N ATOM 0 H LYS A 52 6.913 7.431 2.985 1.00 43.54 H new ATOM 0 HA LYS A 52 8.342 5.875 4.795 1.00 14.33 H new ATOM 0 HB2 LYS A 52 5.955 6.716 4.900 1.00 74.34 H new ATOM 0 HB3 LYS A 52 5.519 5.506 3.709 1.00 74.34 H new ATOM 0 HG2 LYS A 52 6.937 4.590 6.202 1.00 11.14 H new ATOM 0 HG3 LYS A 52 5.258 5.073 6.340 1.00 11.14 H new ATOM 0 HD2 LYS A 52 4.477 3.251 5.152 1.00 43.14 H new ATOM 0 HD3 LYS A 52 5.871 3.197 4.092 1.00 43.14 H new ATOM 0 HE2 LYS A 52 5.704 2.135 6.943 1.00 33.52 H new ATOM 0 HE3 LYS A 52 5.853 1.192 5.474 1.00 33.52 H new ATOM 0 HZ1 LYS A 52 8.005 1.268 6.069 1.00 42.33 H new ATOM 0 HZ2 LYS A 52 7.969 2.726 5.200 1.00 42.33 H new ATOM 0 HZ3 LYS A 52 7.863 2.745 6.895 1.00 42.33 H new ATOM 795 N VAL A 53 7.575 4.236 2.030 1.00 62.30 N ATOM 796 CA VAL A 53 7.832 2.984 1.330 1.00 2.25 C ATOM 797 C VAL A 53 9.195 3.030 0.629 1.00 73.44 C ATOM 798 O VAL A 53 9.919 2.035 0.629 1.00 21.21 O ATOM 799 CB VAL A 53 6.638 2.668 0.403 1.00 61.33 C ATOM 800 CG1 VAL A 53 6.648 3.365 -0.964 1.00 64.33 C ATOM 801 CG2 VAL A 53 6.541 1.165 0.184 1.00 34.43 C ATOM 0 H VAL A 53 7.020 4.907 1.499 1.00 62.30 H new ATOM 0 HA VAL A 53 7.906 2.153 2.031 1.00 2.25 H new ATOM 0 HB VAL A 53 5.771 3.066 0.929 1.00 61.33 H new ATOM 0 HG11 VAL A 53 5.764 3.070 -1.529 1.00 64.33 H new ATOM 0 HG12 VAL A 53 6.644 4.446 -0.821 1.00 64.33 H new ATOM 0 HG13 VAL A 53 7.544 3.075 -1.514 1.00 64.33 H new ATOM 0 HG21 VAL A 53 5.697 0.946 -0.471 1.00 34.43 H new ATOM 0 HG22 VAL A 53 7.461 0.804 -0.277 1.00 34.43 H new ATOM 0 HG23 VAL A 53 6.395 0.666 1.142 1.00 34.43 H new ATOM 811 N LEU A 54 9.560 4.176 0.045 1.00 35.32 N ATOM 812 CA LEU A 54 10.783 4.331 -0.729 1.00 32.34 C ATOM 813 C LEU A 54 12.015 4.220 0.172 1.00 62.42 C ATOM 814 O LEU A 54 13.016 3.634 -0.245 1.00 40.12 O ATOM 815 CB LEU A 54 10.772 5.670 -1.499 1.00 53.41 C ATOM 816 CG LEU A 54 10.158 5.678 -2.919 1.00 72.01 C ATOM 817 CD1 LEU A 54 10.610 4.482 -3.759 1.00 43.54 C ATOM 818 CD2 LEU A 54 8.641 5.856 -3.027 1.00 32.23 C ATOM 0 H LEU A 54 9.003 5.029 0.101 1.00 35.32 H new ATOM 0 HA LEU A 54 10.833 3.523 -1.459 1.00 32.34 H new ATOM 0 HB2 LEU A 54 10.231 6.399 -0.896 1.00 53.41 H new ATOM 0 HB3 LEU A 54 11.801 6.021 -1.577 1.00 53.41 H new ATOM 0 HG LEU A 54 10.568 6.601 -3.329 1.00 72.01 H new ATOM 0 HD11 LEU A 54 10.150 4.536 -4.746 1.00 43.54 H new ATOM 0 HD12 LEU A 54 11.695 4.499 -3.863 1.00 43.54 H new ATOM 0 HD13 LEU A 54 10.307 3.557 -3.268 1.00 43.54 H new ATOM 0 HD21 LEU A 54 8.347 5.843 -4.076 1.00 32.23 H new ATOM 0 HD22 LEU A 54 8.141 5.044 -2.500 1.00 32.23 H new ATOM 0 HD23 LEU A 54 8.354 6.809 -2.582 1.00 32.23 H new ATOM 830 N GLY A 55 11.953 4.733 1.405 1.00 12.22 N ATOM 831 CA GLY A 55 13.020 4.538 2.379 1.00 22.22 C ATOM 832 C GLY A 55 13.160 3.053 2.708 1.00 13.22 C ATOM 833 O GLY A 55 14.254 2.493 2.641 1.00 31.43 O ATOM 0 H GLY A 55 11.169 5.288 1.749 1.00 12.22 H new ATOM 0 HA2 GLY A 55 13.960 4.922 1.983 1.00 22.22 H new ATOM 0 HA3 GLY A 55 12.803 5.101 3.287 1.00 22.22 H new ATOM 837 N ASP A 56 12.041 2.388 3.012 1.00 2.22 N ATOM 838 CA ASP A 56 12.003 0.983 3.426 1.00 71.40 C ATOM 839 C ASP A 56 12.576 0.051 2.360 1.00 2.22 C ATOM 840 O ASP A 56 13.294 -0.897 2.697 1.00 15.25 O ATOM 841 CB ASP A 56 10.563 0.552 3.716 1.00 72.40 C ATOM 842 CG ASP A 56 10.152 0.694 5.172 1.00 24.05 C ATOM 843 OD1 ASP A 56 10.730 1.465 5.964 1.00 4.21 O ATOM 844 OD2 ASP A 56 9.106 0.097 5.504 1.00 11.33 O ATOM 0 H ASP A 56 11.118 2.821 2.976 1.00 2.22 H new ATOM 0 HA ASP A 56 12.616 0.907 4.324 1.00 71.40 H new ATOM 0 HB2 ASP A 56 9.887 1.145 3.100 1.00 72.40 H new ATOM 0 HB3 ASP A 56 10.439 -0.488 3.415 1.00 72.40 H new ATOM 849 N LEU A 57 12.291 0.324 1.082 1.00 32.13 N ATOM 850 CA LEU A 57 12.811 -0.452 -0.041 1.00 35.13 C ATOM 851 C LEU A 57 14.326 -0.394 -0.131 1.00 75.30 C ATOM 852 O LEU A 57 14.894 -1.271 -0.765 1.00 5.45 O ATOM 853 CB LEU A 57 12.260 0.064 -1.379 1.00 1.31 C ATOM 854 CG LEU A 57 10.892 -0.496 -1.788 1.00 1.35 C ATOM 855 CD1 LEU A 57 10.467 0.294 -3.036 1.00 12.44 C ATOM 856 CD2 LEU A 57 10.881 -1.989 -2.146 1.00 74.22 C ATOM 0 H LEU A 57 11.688 1.097 0.799 1.00 32.13 H new ATOM 0 HA LEU A 57 12.491 -1.478 0.142 1.00 35.13 H new ATOM 0 HB2 LEU A 57 12.188 1.150 -1.328 1.00 1.31 H new ATOM 0 HB3 LEU A 57 12.979 -0.171 -2.164 1.00 1.31 H new ATOM 0 HG LEU A 57 10.224 -0.394 -0.933 1.00 1.35 H new ATOM 0 HD11 LEU A 57 9.494 -0.061 -3.377 1.00 12.44 H new ATOM 0 HD12 LEU A 57 10.401 1.354 -2.791 1.00 12.44 H new ATOM 0 HD13 LEU A 57 11.204 0.150 -3.826 1.00 12.44 H new ATOM 0 HD21 LEU A 57 9.870 -2.290 -2.421 1.00 74.22 H new ATOM 0 HD22 LEU A 57 11.554 -2.167 -2.985 1.00 74.22 H new ATOM 0 HD23 LEU A 57 11.211 -2.572 -1.286 1.00 74.22 H new ATOM 868 N ASP A 58 14.975 0.634 0.414 1.00 71.34 N ATOM 869 CA ASP A 58 16.429 0.834 0.385 1.00 55.32 C ATOM 870 C ASP A 58 16.984 1.135 -1.012 1.00 24.14 C ATOM 871 O ASP A 58 18.164 1.439 -1.153 1.00 22.12 O ATOM 872 CB ASP A 58 17.137 -0.376 1.013 1.00 60.23 C ATOM 873 CG ASP A 58 18.584 -0.095 1.388 1.00 14.41 C ATOM 874 OD1 ASP A 58 18.817 0.423 2.504 1.00 32.15 O ATOM 875 OD2 ASP A 58 19.488 -0.572 0.673 1.00 15.21 O ATOM 0 H ASP A 58 14.486 1.381 0.908 1.00 71.34 H new ATOM 0 HA ASP A 58 16.634 1.726 0.977 1.00 55.32 H new ATOM 0 HB2 ASP A 58 16.591 -0.686 1.904 1.00 60.23 H new ATOM 0 HB3 ASP A 58 17.105 -1.211 0.313 1.00 60.23 H new ATOM 880 N GLY A 59 16.137 1.107 -2.039 1.00 63.43 N ATOM 881 CA GLY A 59 16.519 1.102 -3.446 1.00 33.23 C ATOM 882 C GLY A 59 16.200 -0.222 -4.153 1.00 44.30 C ATOM 883 O GLY A 59 16.722 -0.447 -5.247 1.00 4.51 O ATOM 0 H GLY A 59 15.126 1.086 -1.906 1.00 63.43 H new ATOM 0 HA2 GLY A 59 16.003 1.914 -3.959 1.00 33.23 H new ATOM 0 HA3 GLY A 59 17.588 1.302 -3.527 1.00 33.23 H new ATOM 887 N LYS A 60 15.402 -1.124 -3.560 1.00 11.15 N ATOM 888 CA LYS A 60 15.081 -2.444 -4.106 1.00 43.51 C ATOM 889 C LYS A 60 14.364 -2.411 -5.456 1.00 3.44 C ATOM 890 O LYS A 60 14.480 -3.382 -6.207 1.00 50.40 O ATOM 891 CB LYS A 60 14.228 -3.227 -3.108 1.00 14.35 C ATOM 892 CG LYS A 60 15.025 -4.193 -2.223 1.00 32.32 C ATOM 893 CD LYS A 60 14.095 -5.047 -1.352 1.00 34.23 C ATOM 894 CE LYS A 60 14.845 -6.213 -0.694 1.00 30.05 C ATOM 895 NZ LYS A 60 15.528 -5.830 0.557 1.00 61.42 N ATOM 0 H LYS A 60 14.952 -0.946 -2.662 1.00 11.15 H new ATOM 0 HA LYS A 60 16.041 -2.932 -4.276 1.00 43.51 H new ATOM 0 HB2 LYS A 60 13.696 -2.522 -2.470 1.00 14.35 H new ATOM 0 HB3 LYS A 60 13.474 -3.792 -3.656 1.00 14.35 H new ATOM 0 HG2 LYS A 60 15.638 -4.842 -2.849 1.00 32.32 H new ATOM 0 HG3 LYS A 60 15.706 -3.628 -1.586 1.00 32.32 H new ATOM 0 HD2 LYS A 60 13.644 -4.423 -0.580 1.00 34.23 H new ATOM 0 HD3 LYS A 60 13.281 -5.437 -1.963 1.00 34.23 H new ATOM 0 HE2 LYS A 60 14.141 -7.018 -0.485 1.00 30.05 H new ATOM 0 HE3 LYS A 60 15.580 -6.607 -1.396 1.00 30.05 H new ATOM 0 HZ1 LYS A 60 16.016 -6.658 0.954 1.00 61.42 H new ATOM 0 HZ2 LYS A 60 16.222 -5.081 0.358 1.00 61.42 H new ATOM 0 HZ3 LYS A 60 14.828 -5.480 1.242 1.00 61.42 H new ATOM 909 N ARG A 61 13.555 -1.384 -5.731 1.00 4.21 N ATOM 910 CA ARG A 61 12.808 -1.234 -6.981 1.00 25.43 C ATOM 911 C ARG A 61 12.752 0.252 -7.335 1.00 70.03 C ATOM 912 O ARG A 61 12.725 1.073 -6.412 1.00 65.42 O ATOM 913 CB ARG A 61 11.375 -1.792 -6.846 1.00 43.21 C ATOM 914 CG ARG A 61 11.265 -3.321 -6.740 1.00 4.13 C ATOM 915 CD ARG A 61 11.752 -4.057 -7.995 1.00 30.34 C ATOM 916 NE ARG A 61 11.437 -5.497 -7.927 1.00 13.25 N ATOM 917 CZ ARG A 61 11.327 -6.329 -8.970 1.00 41.52 C ATOM 918 NH1 ARG A 61 11.547 -5.908 -10.214 1.00 2.15 N ATOM 919 NH2 ARG A 61 10.986 -7.597 -8.767 1.00 31.45 N ATOM 0 H ARG A 61 13.398 -0.618 -5.076 1.00 4.21 H new ATOM 0 HA ARG A 61 13.311 -1.797 -7.767 1.00 25.43 H new ATOM 0 HB2 ARG A 61 10.914 -1.350 -5.962 1.00 43.21 H new ATOM 0 HB3 ARG A 61 10.793 -1.463 -7.707 1.00 43.21 H new ATOM 0 HG2 ARG A 61 11.844 -3.661 -5.881 1.00 4.13 H new ATOM 0 HG3 ARG A 61 10.226 -3.591 -6.550 1.00 4.13 H new ATOM 0 HD2 ARG A 61 11.285 -3.622 -8.879 1.00 30.34 H new ATOM 0 HD3 ARG A 61 12.828 -3.923 -8.104 1.00 30.34 H new ATOM 0 HE ARG A 61 11.289 -5.895 -7.000 1.00 13.25 H new ATOM 0 HH11 ARG A 61 11.804 -4.936 -10.385 1.00 2.15 H new ATOM 0 HH12 ARG A 61 11.458 -6.558 -10.995 1.00 2.15 H new ATOM 0 HH21 ARG A 61 10.809 -7.932 -7.820 1.00 31.45 H new ATOM 0 HH22 ARG A 61 10.901 -8.235 -9.558 1.00 31.45 H new ATOM 933 N PRO A 62 12.653 0.608 -8.626 1.00 73.33 N ATOM 934 CA PRO A 62 12.636 1.996 -9.056 1.00 65.21 C ATOM 935 C PRO A 62 11.394 2.696 -8.562 1.00 2.32 C ATOM 936 O PRO A 62 10.313 2.104 -8.562 1.00 3.51 O ATOM 937 CB PRO A 62 12.654 1.984 -10.584 1.00 2.31 C ATOM 938 CG PRO A 62 12.289 0.554 -10.976 1.00 13.11 C ATOM 939 CD PRO A 62 12.633 -0.292 -9.765 1.00 10.13 C ATOM 0 HA PRO A 62 13.495 2.532 -8.652 1.00 65.21 H new ATOM 0 HB2 PRO A 62 11.940 2.699 -10.992 1.00 2.31 H new ATOM 0 HB3 PRO A 62 13.636 2.260 -10.969 1.00 2.31 H new ATOM 0 HG2 PRO A 62 11.231 0.472 -11.225 1.00 13.11 H new ATOM 0 HG3 PRO A 62 12.849 0.231 -11.853 1.00 13.11 H new ATOM 0 HD2 PRO A 62 11.896 -1.082 -9.622 1.00 10.13 H new ATOM 0 HD3 PRO A 62 13.601 -0.777 -9.893 1.00 10.13 H new ATOM 947 N GLU A 63 11.532 3.985 -8.242 1.00 60.31 N ATOM 948 CA GLU A 63 10.425 4.810 -7.800 1.00 52.22 C ATOM 949 C GLU A 63 9.244 4.664 -8.754 1.00 14.23 C ATOM 950 O GLU A 63 8.128 4.449 -8.285 1.00 23.03 O ATOM 951 CB GLU A 63 10.863 6.278 -7.649 1.00 24.43 C ATOM 952 CG GLU A 63 9.725 7.107 -7.019 1.00 34.02 C ATOM 953 CD GLU A 63 9.858 8.631 -7.092 1.00 64.24 C ATOM 954 OE1 GLU A 63 10.284 9.187 -8.127 1.00 20.23 O ATOM 955 OE2 GLU A 63 9.295 9.291 -6.186 1.00 71.41 O ATOM 0 H GLU A 63 12.423 4.480 -8.285 1.00 60.31 H new ATOM 0 HA GLU A 63 10.101 4.469 -6.817 1.00 52.22 H new ATOM 0 HB2 GLU A 63 11.755 6.337 -7.026 1.00 24.43 H new ATOM 0 HB3 GLU A 63 11.127 6.689 -8.623 1.00 24.43 H new ATOM 0 HG2 GLU A 63 8.790 6.824 -7.503 1.00 34.02 H new ATOM 0 HG3 GLU A 63 9.639 6.823 -5.970 1.00 34.02 H new ATOM 962 N ALA A 64 9.462 4.726 -10.072 1.00 11.54 N ATOM 963 CA ALA A 64 8.346 4.704 -11.006 1.00 4.51 C ATOM 964 C ALA A 64 7.547 3.398 -10.941 1.00 43.40 C ATOM 965 O ALA A 64 6.328 3.438 -11.163 1.00 33.33 O ATOM 966 CB ALA A 64 8.857 4.933 -12.430 1.00 13.35 C ATOM 0 H ALA A 64 10.384 4.790 -10.504 1.00 11.54 H new ATOM 0 HA ALA A 64 7.669 5.508 -10.718 1.00 4.51 H new ATOM 0 HB1 ALA A 64 8.018 4.916 -13.125 1.00 13.35 H new ATOM 0 HB2 ALA A 64 9.355 5.901 -12.487 1.00 13.35 H new ATOM 0 HB3 ALA A 64 9.563 4.146 -12.694 1.00 13.35 H new ATOM 972 N GLU A 65 8.177 2.254 -10.636 1.00 32.05 N ATOM 973 CA GLU A 65 7.450 1.020 -10.374 1.00 72.23 C ATOM 974 C GLU A 65 6.514 1.216 -9.181 1.00 13.15 C ATOM 975 O GLU A 65 5.321 0.921 -9.259 1.00 3.52 O ATOM 976 CB GLU A 65 8.441 -0.132 -10.157 1.00 32.42 C ATOM 977 CG GLU A 65 7.680 -1.452 -10.075 1.00 14.14 C ATOM 978 CD GLU A 65 8.613 -2.660 -10.132 1.00 54.52 C ATOM 979 OE1 GLU A 65 9.074 -3.019 -11.240 1.00 63.14 O ATOM 980 OE2 GLU A 65 8.819 -3.328 -9.095 1.00 14.33 O ATOM 0 H GLU A 65 9.191 2.166 -10.567 1.00 32.05 H new ATOM 0 HA GLU A 65 6.833 0.759 -11.234 1.00 72.23 H new ATOM 0 HB2 GLU A 65 9.160 -0.165 -10.975 1.00 32.42 H new ATOM 0 HB3 GLU A 65 9.008 0.030 -9.240 1.00 32.42 H new ATOM 0 HG2 GLU A 65 7.106 -1.482 -9.149 1.00 14.14 H new ATOM 0 HG3 GLU A 65 6.964 -1.509 -10.895 1.00 14.14 H new ATOM 987 N VAL A 66 7.050 1.756 -8.090 1.00 12.15 N ATOM 988 CA VAL A 66 6.346 1.965 -6.834 1.00 35.41 C ATOM 989 C VAL A 66 5.203 2.979 -7.021 1.00 34.15 C ATOM 990 O VAL A 66 4.125 2.768 -6.454 1.00 63.30 O ATOM 991 CB VAL A 66 7.355 2.382 -5.739 1.00 43.24 C ATOM 992 CG1 VAL A 66 6.752 2.304 -4.334 1.00 35.03 C ATOM 993 CG2 VAL A 66 8.598 1.477 -5.688 1.00 64.21 C ATOM 0 H VAL A 66 8.020 2.070 -8.058 1.00 12.15 H new ATOM 0 HA VAL A 66 5.880 1.036 -6.506 1.00 35.41 H new ATOM 0 HB VAL A 66 7.623 3.403 -6.012 1.00 43.24 H new ATOM 0 HG11 VAL A 66 7.499 2.606 -3.600 1.00 35.03 H new ATOM 0 HG12 VAL A 66 5.891 2.969 -4.270 1.00 35.03 H new ATOM 0 HG13 VAL A 66 6.436 1.281 -4.130 1.00 35.03 H new ATOM 0 HG21 VAL A 66 9.267 1.822 -4.900 1.00 64.21 H new ATOM 0 HG22 VAL A 66 8.293 0.451 -5.482 1.00 64.21 H new ATOM 0 HG23 VAL A 66 9.116 1.516 -6.646 1.00 64.21 H new ATOM 1003 N ARG A 67 5.368 4.049 -7.821 1.00 53.33 N ATOM 1004 CA ARG A 67 4.272 4.964 -8.147 1.00 62.41 C ATOM 1005 C ARG A 67 3.163 4.179 -8.817 1.00 22.31 C ATOM 1006 O ARG A 67 2.052 4.137 -8.300 1.00 40.52 O ATOM 1007 CB ARG A 67 4.699 6.082 -9.119 1.00 43.10 C ATOM 1008 CG ARG A 67 5.894 6.939 -8.728 1.00 22.45 C ATOM 1009 CD ARG A 67 5.751 7.554 -7.339 1.00 35.12 C ATOM 1010 NE ARG A 67 6.604 8.731 -7.135 1.00 23.24 N ATOM 1011 CZ ARG A 67 6.302 10.017 -7.332 1.00 22.45 C ATOM 1012 NH1 ARG A 67 5.067 10.419 -7.633 1.00 73.02 N ATOM 1013 NH2 ARG A 67 7.282 10.901 -7.218 1.00 33.35 N ATOM 0 H ARG A 67 6.258 4.297 -8.253 1.00 53.33 H new ATOM 0 HA ARG A 67 3.950 5.423 -7.213 1.00 62.41 H new ATOM 0 HB2 ARG A 67 4.916 5.623 -10.084 1.00 43.10 H new ATOM 0 HB3 ARG A 67 3.845 6.743 -9.266 1.00 43.10 H new ATOM 0 HG2 ARG A 67 6.798 6.330 -8.760 1.00 22.45 H new ATOM 0 HG3 ARG A 67 6.020 7.735 -9.462 1.00 22.45 H new ATOM 0 HD2 ARG A 67 4.710 7.836 -7.179 1.00 35.12 H new ATOM 0 HD3 ARG A 67 5.996 6.802 -6.589 1.00 35.12 H new ATOM 0 HE ARG A 67 7.549 8.543 -6.800 1.00 23.24 H new ATOM 0 HH11 ARG A 67 4.315 9.735 -7.720 1.00 73.02 H new ATOM 0 HH12 ARG A 67 4.874 11.410 -7.776 1.00 73.02 H new ATOM 0 HH21 ARG A 67 8.226 10.590 -6.988 1.00 33.35 H new ATOM 0 HH22 ARG A 67 7.093 11.893 -7.361 1.00 33.35 H new ATOM 1027 N ALA A 68 3.477 3.580 -9.967 1.00 63.30 N ATOM 1028 CA ALA A 68 2.496 2.905 -10.806 1.00 30.12 C ATOM 1029 C ALA A 68 1.732 1.841 -10.022 1.00 45.14 C ATOM 1030 O ALA A 68 0.506 1.782 -10.119 1.00 62.32 O ATOM 1031 CB ALA A 68 3.174 2.266 -12.019 1.00 32.14 C ATOM 0 H ALA A 68 4.426 3.552 -10.341 1.00 63.30 H new ATOM 0 HA ALA A 68 1.785 3.657 -11.148 1.00 30.12 H new ATOM 0 HB1 ALA A 68 2.425 1.767 -12.633 1.00 32.14 H new ATOM 0 HB2 ALA A 68 3.670 3.038 -12.607 1.00 32.14 H new ATOM 0 HB3 ALA A 68 3.911 1.537 -11.682 1.00 32.14 H new ATOM 1037 N LYS A 69 2.440 1.031 -9.225 1.00 23.35 N ATOM 1038 CA LYS A 69 1.819 0.021 -8.380 1.00 61.10 C ATOM 1039 C LYS A 69 0.736 0.671 -7.527 1.00 44.03 C ATOM 1040 O LYS A 69 -0.411 0.221 -7.541 1.00 4.12 O ATOM 1041 CB LYS A 69 2.871 -0.683 -7.503 1.00 51.13 C ATOM 1042 CG LYS A 69 2.290 -1.957 -6.875 1.00 50.52 C ATOM 1043 CD LYS A 69 2.408 -3.133 -7.852 1.00 3.13 C ATOM 1044 CE LYS A 69 1.517 -4.301 -7.432 1.00 34.12 C ATOM 1045 NZ LYS A 69 0.167 -4.223 -8.039 1.00 42.00 N ATOM 0 H LYS A 69 3.457 1.062 -9.153 1.00 23.35 H new ATOM 0 HA LYS A 69 1.360 -0.741 -9.011 1.00 61.10 H new ATOM 0 HB2 LYS A 69 3.744 -0.934 -8.105 1.00 51.13 H new ATOM 0 HB3 LYS A 69 3.209 -0.006 -6.718 1.00 51.13 H new ATOM 0 HG2 LYS A 69 2.819 -2.189 -5.951 1.00 50.52 H new ATOM 0 HG3 LYS A 69 1.244 -1.797 -6.612 1.00 50.52 H new ATOM 0 HD2 LYS A 69 2.131 -2.804 -8.854 1.00 3.13 H new ATOM 0 HD3 LYS A 69 3.445 -3.464 -7.901 1.00 3.13 H new ATOM 0 HE2 LYS A 69 1.990 -5.239 -7.722 1.00 34.12 H new ATOM 0 HE3 LYS A 69 1.425 -4.313 -6.346 1.00 34.12 H new ATOM 0 HZ1 LYS A 69 -0.402 -5.035 -7.726 1.00 42.00 H new ATOM 0 HZ2 LYS A 69 -0.297 -3.341 -7.742 1.00 42.00 H new ATOM 0 HZ3 LYS A 69 0.251 -4.238 -9.075 1.00 42.00 H new ATOM 1059 N TYR A 70 1.110 1.713 -6.787 1.00 71.50 N ATOM 1060 CA TYR A 70 0.238 2.383 -5.849 1.00 1.14 C ATOM 1061 C TYR A 70 -0.914 3.085 -6.573 1.00 52.24 C ATOM 1062 O TYR A 70 -2.078 2.810 -6.292 1.00 33.14 O ATOM 1063 CB TYR A 70 1.075 3.345 -5.000 1.00 44.03 C ATOM 1064 CG TYR A 70 0.308 3.944 -3.845 1.00 61.23 C ATOM 1065 CD1 TYR A 70 -0.108 3.131 -2.770 1.00 74.42 C ATOM 1066 CD2 TYR A 70 -0.040 5.307 -3.873 1.00 44.40 C ATOM 1067 CE1 TYR A 70 -0.881 3.683 -1.738 1.00 12.25 C ATOM 1068 CE2 TYR A 70 -0.838 5.846 -2.853 1.00 53.43 C ATOM 1069 CZ TYR A 70 -1.243 5.044 -1.765 1.00 1.22 C ATOM 1070 OH TYR A 70 -1.985 5.562 -0.753 1.00 13.11 O ATOM 0 H TYR A 70 2.046 2.116 -6.830 1.00 71.50 H new ATOM 0 HA TYR A 70 -0.227 1.654 -5.185 1.00 1.14 H new ATOM 0 HB2 TYR A 70 1.945 2.814 -4.613 1.00 44.03 H new ATOM 0 HB3 TYR A 70 1.448 4.148 -5.635 1.00 44.03 H new ATOM 0 HD1 TYR A 70 0.168 2.087 -2.742 1.00 74.42 H new ATOM 0 HD2 TYR A 70 0.307 5.937 -4.679 1.00 44.40 H new ATOM 0 HE1 TYR A 70 -1.201 3.060 -0.916 1.00 12.25 H new ATOM 0 HE2 TYR A 70 -1.144 6.881 -2.901 1.00 53.43 H new ATOM 0 HH TYR A 70 -2.248 4.844 -0.140 1.00 13.11 H new ATOM 1080 N GLU A 71 -0.642 3.981 -7.519 1.00 33.31 N ATOM 1081 CA GLU A 71 -1.695 4.771 -8.152 1.00 13.41 C ATOM 1082 C GLU A 71 -2.602 3.910 -9.045 1.00 40.03 C ATOM 1083 O GLU A 71 -3.728 4.309 -9.356 1.00 55.23 O ATOM 1084 CB GLU A 71 -1.096 5.936 -8.949 1.00 54.31 C ATOM 1085 CG GLU A 71 -0.195 6.842 -8.093 1.00 32.15 C ATOM 1086 CD GLU A 71 -0.162 8.281 -8.609 1.00 32.34 C ATOM 1087 OE1 GLU A 71 0.034 8.499 -9.825 1.00 3.55 O ATOM 1088 OE2 GLU A 71 -0.385 9.218 -7.803 1.00 51.01 O ATOM 0 H GLU A 71 0.298 4.178 -7.864 1.00 33.31 H new ATOM 0 HA GLU A 71 -2.317 5.178 -7.355 1.00 13.41 H new ATOM 0 HB2 GLU A 71 -0.517 5.540 -9.784 1.00 54.31 H new ATOM 0 HB3 GLU A 71 -1.903 6.532 -9.375 1.00 54.31 H new ATOM 0 HG2 GLU A 71 -0.551 6.836 -7.063 1.00 32.15 H new ATOM 0 HG3 GLU A 71 0.818 6.439 -8.083 1.00 32.15 H new ATOM 1095 N GLY A 72 -2.141 2.729 -9.472 1.00 1.45 N ATOM 1096 CA GLY A 72 -2.910 1.741 -10.219 1.00 41.42 C ATOM 1097 C GLY A 72 -3.727 0.813 -9.323 1.00 62.42 C ATOM 1098 O GLY A 72 -4.466 -0.025 -9.838 1.00 13.13 O ATOM 0 H GLY A 72 -1.182 2.428 -9.297 1.00 1.45 H new ATOM 0 HA2 GLY A 72 -3.581 2.256 -10.906 1.00 41.42 H new ATOM 0 HA3 GLY A 72 -2.230 1.144 -10.826 1.00 41.42 H new ATOM 1102 N LEU A 73 -3.623 0.929 -7.998 1.00 34.25 N ATOM 1103 CA LEU A 73 -4.252 0.007 -7.065 1.00 44.44 C ATOM 1104 C LEU A 73 -5.694 0.373 -6.792 1.00 65.42 C ATOM 1105 O LEU A 73 -6.399 -0.466 -6.252 1.00 1.31 O ATOM 1106 CB LEU A 73 -3.498 -0.006 -5.723 1.00 42.33 C ATOM 1107 CG LEU A 73 -3.272 -1.377 -5.058 1.00 25.42 C ATOM 1108 CD1 LEU A 73 -2.763 -2.468 -6.013 1.00 24.43 C ATOM 1109 CD2 LEU A 73 -2.147 -1.158 -4.034 1.00 65.41 C ATOM 0 H LEU A 73 -3.094 1.674 -7.544 1.00 34.25 H new ATOM 0 HA LEU A 73 -4.217 -0.978 -7.531 1.00 44.44 H new ATOM 0 HB2 LEU A 73 -2.525 0.460 -5.877 1.00 42.33 H new ATOM 0 HB3 LEU A 73 -4.045 0.624 -5.022 1.00 42.33 H new ATOM 0 HG LEU A 73 -4.227 -1.713 -4.655 1.00 25.42 H new ATOM 0 HD11 LEU A 73 -2.631 -3.400 -5.463 1.00 24.43 H new ATOM 0 HD12 LEU A 73 -3.488 -2.618 -6.813 1.00 24.43 H new ATOM 0 HD13 LEU A 73 -1.809 -2.161 -6.441 1.00 24.43 H new ATOM 0 HD21 LEU A 73 -1.934 -2.096 -3.522 1.00 65.41 H new ATOM 0 HD22 LEU A 73 -1.250 -0.813 -4.548 1.00 65.41 H new ATOM 0 HD23 LEU A 73 -2.459 -0.410 -3.305 1.00 65.41 H new ATOM 1121 N MET A 74 -6.161 1.583 -7.114 1.00 61.12 N ATOM 1122 CA MET A 74 -7.500 2.001 -6.704 1.00 33.40 C ATOM 1123 C MET A 74 -8.566 1.054 -7.266 1.00 30.52 C ATOM 1124 O MET A 74 -9.453 0.618 -6.525 1.00 53.34 O ATOM 1125 CB MET A 74 -7.764 3.463 -7.089 1.00 52.25 C ATOM 1126 CG MET A 74 -9.093 3.926 -6.471 1.00 64.22 C ATOM 1127 SD MET A 74 -9.515 5.683 -6.614 1.00 52.44 S ATOM 1128 CE MET A 74 -8.118 6.445 -5.747 1.00 21.12 C ATOM 0 H MET A 74 -5.640 2.278 -7.648 1.00 61.12 H new ATOM 0 HA MET A 74 -7.559 1.942 -5.617 1.00 33.40 H new ATOM 0 HB2 MET A 74 -6.948 4.095 -6.738 1.00 52.25 H new ATOM 0 HB3 MET A 74 -7.801 3.563 -8.174 1.00 52.25 H new ATOM 0 HG2 MET A 74 -9.896 3.349 -6.929 1.00 64.22 H new ATOM 0 HG3 MET A 74 -9.079 3.668 -5.412 1.00 64.22 H new ATOM 0 HE1 MET A 74 -8.342 7.493 -5.547 1.00 21.12 H new ATOM 0 HE2 MET A 74 -7.947 5.924 -4.805 1.00 21.12 H new ATOM 0 HE3 MET A 74 -7.224 6.377 -6.367 1.00 21.12 H new ATOM 1138 N ALA A 75 -8.463 0.692 -8.549 1.00 45.25 N ATOM 1139 CA ALA A 75 -9.424 -0.224 -9.146 1.00 3.30 C ATOM 1140 C ALA A 75 -9.229 -1.646 -8.613 1.00 52.01 C ATOM 1141 O ALA A 75 -10.222 -2.362 -8.472 1.00 12.24 O ATOM 1142 CB ALA A 75 -9.331 -0.210 -10.674 1.00 25.13 C ATOM 0 H ALA A 75 -7.732 1.017 -9.182 1.00 45.25 H new ATOM 0 HA ALA A 75 -10.420 0.117 -8.864 1.00 3.30 H new ATOM 0 HB1 ALA A 75 -10.061 -0.904 -11.089 1.00 25.13 H new ATOM 0 HB2 ALA A 75 -9.536 0.795 -11.042 1.00 25.13 H new ATOM 0 HB3 ALA A 75 -8.329 -0.511 -10.980 1.00 25.13 H new ATOM 1148 N VAL A 76 -7.988 -2.050 -8.305 1.00 23.54 N ATOM 1149 CA VAL A 76 -7.702 -3.372 -7.740 1.00 32.44 C ATOM 1150 C VAL A 76 -8.387 -3.453 -6.374 1.00 23.40 C ATOM 1151 O VAL A 76 -9.193 -4.340 -6.113 1.00 70.44 O ATOM 1152 CB VAL A 76 -6.175 -3.605 -7.628 1.00 62.55 C ATOM 1153 CG1 VAL A 76 -5.828 -5.016 -7.125 1.00 45.31 C ATOM 1154 CG2 VAL A 76 -5.444 -3.345 -8.958 1.00 11.21 C ATOM 0 H VAL A 76 -7.159 -1.471 -8.441 1.00 23.54 H new ATOM 0 HA VAL A 76 -8.088 -4.157 -8.391 1.00 32.44 H new ATOM 0 HB VAL A 76 -5.829 -2.881 -6.891 1.00 62.55 H new ATOM 0 HG11 VAL A 76 -4.745 -5.125 -7.065 1.00 45.31 H new ATOM 0 HG12 VAL A 76 -6.263 -5.167 -6.137 1.00 45.31 H new ATOM 0 HG13 VAL A 76 -6.230 -5.757 -7.816 1.00 45.31 H new ATOM 0 HG21 VAL A 76 -4.376 -3.522 -8.827 1.00 11.21 H new ATOM 0 HG22 VAL A 76 -5.832 -4.017 -9.724 1.00 11.21 H new ATOM 0 HG23 VAL A 76 -5.605 -2.312 -9.266 1.00 11.21 H new ATOM 1164 N ALA A 77 -8.113 -2.468 -5.519 1.00 62.41 N ATOM 1165 CA ALA A 77 -8.578 -2.358 -4.155 1.00 51.41 C ATOM 1166 C ALA A 77 -10.097 -2.492 -4.094 1.00 25.40 C ATOM 1167 O ALA A 77 -10.628 -3.269 -3.303 1.00 5.44 O ATOM 1168 CB ALA A 77 -8.144 -1.006 -3.587 1.00 41.31 C ATOM 0 H ALA A 77 -7.522 -1.681 -5.787 1.00 62.41 H new ATOM 0 HA ALA A 77 -8.143 -3.162 -3.561 1.00 51.41 H new ATOM 0 HB1 ALA A 77 -8.491 -0.915 -2.558 1.00 41.31 H new ATOM 0 HB2 ALA A 77 -7.057 -0.933 -3.611 1.00 41.31 H new ATOM 0 HB3 ALA A 77 -8.574 -0.204 -4.187 1.00 41.31 H new ATOM 1174 N LYS A 78 -10.794 -1.711 -4.925 1.00 11.44 N ATOM 1175 CA LYS A 78 -12.247 -1.732 -4.985 1.00 13.34 C ATOM 1176 C LYS A 78 -12.759 -3.062 -5.493 1.00 23.54 C ATOM 1177 O LYS A 78 -13.729 -3.551 -4.918 1.00 32.32 O ATOM 1178 CB LYS A 78 -12.773 -0.623 -5.896 1.00 24.40 C ATOM 1179 CG LYS A 78 -12.696 0.763 -5.247 1.00 41.35 C ATOM 1180 CD LYS A 78 -13.281 1.826 -6.184 1.00 24.54 C ATOM 1181 CE LYS A 78 -14.795 1.638 -6.339 1.00 74.42 C ATOM 1182 NZ LYS A 78 -15.342 2.499 -7.398 1.00 13.04 N ATOM 0 H LYS A 78 -10.362 -1.050 -5.571 1.00 11.44 H new ATOM 0 HA LYS A 78 -12.608 -1.573 -3.969 1.00 13.34 H new ATOM 0 HB2 LYS A 78 -12.200 -0.618 -6.823 1.00 24.40 H new ATOM 0 HB3 LYS A 78 -13.808 -0.838 -6.162 1.00 24.40 H new ATOM 0 HG2 LYS A 78 -13.242 0.761 -4.304 1.00 41.35 H new ATOM 0 HG3 LYS A 78 -11.659 1.005 -5.014 1.00 41.35 H new ATOM 0 HD2 LYS A 78 -13.072 2.820 -5.790 1.00 24.54 H new ATOM 0 HD3 LYS A 78 -12.800 1.762 -7.160 1.00 24.54 H new ATOM 0 HE2 LYS A 78 -15.011 0.595 -6.570 1.00 74.42 H new ATOM 0 HE3 LYS A 78 -15.289 1.864 -5.394 1.00 74.42 H new ATOM 0 HZ1 LYS A 78 -16.368 2.346 -7.475 1.00 13.04 H new ATOM 0 HZ2 LYS A 78 -15.157 3.496 -7.165 1.00 13.04 H new ATOM 0 HZ3 LYS A 78 -14.888 2.266 -8.304 1.00 13.04 H new ATOM 1196 N ALA A 79 -12.149 -3.613 -6.548 1.00 54.35 N ATOM 1197 CA ALA A 79 -12.546 -4.911 -7.059 1.00 63.45 C ATOM 1198 C ALA A 79 -12.474 -5.915 -5.916 1.00 61.21 C ATOM 1199 O ALA A 79 -13.485 -6.542 -5.630 1.00 1.31 O ATOM 1200 CB ALA A 79 -11.691 -5.330 -8.262 1.00 5.41 C ATOM 0 H ALA A 79 -11.382 -3.175 -7.057 1.00 54.35 H new ATOM 0 HA ALA A 79 -13.570 -4.867 -7.430 1.00 63.45 H new ATOM 0 HB1 ALA A 79 -12.017 -6.307 -8.618 1.00 5.41 H new ATOM 0 HB2 ALA A 79 -11.803 -4.597 -9.061 1.00 5.41 H new ATOM 0 HB3 ALA A 79 -10.644 -5.384 -7.963 1.00 5.41 H new ATOM 1206 N GLN A 80 -11.334 -6.008 -5.222 1.00 22.50 N ATOM 1207 CA GLN A 80 -11.160 -6.959 -4.133 1.00 43.05 C ATOM 1208 C GLN A 80 -12.217 -6.776 -3.051 1.00 34.12 C ATOM 1209 O GLN A 80 -12.805 -7.747 -2.622 1.00 61.34 O ATOM 1210 CB GLN A 80 -9.768 -6.862 -3.500 1.00 72.22 C ATOM 1211 CG GLN A 80 -8.614 -7.292 -4.416 1.00 4.00 C ATOM 1212 CD GLN A 80 -7.378 -7.666 -3.603 1.00 4.21 C ATOM 1213 OE1 GLN A 80 -7.134 -7.110 -2.535 1.00 50.02 O ATOM 1214 NE2 GLN A 80 -6.563 -8.590 -4.079 1.00 3.22 N ATOM 0 H GLN A 80 -10.515 -5.428 -5.402 1.00 22.50 H new ATOM 0 HA GLN A 80 -11.273 -7.948 -4.577 1.00 43.05 H new ATOM 0 HB2 GLN A 80 -9.599 -5.833 -3.184 1.00 72.22 H new ATOM 0 HB3 GLN A 80 -9.749 -7.478 -2.601 1.00 72.22 H new ATOM 0 HG2 GLN A 80 -8.925 -8.142 -5.023 1.00 4.00 H new ATOM 0 HG3 GLN A 80 -8.370 -6.482 -5.103 1.00 4.00 H new ATOM 0 HE21 GLN A 80 -6.773 -9.047 -4.966 1.00 3.22 H new ATOM 0 HE22 GLN A 80 -5.724 -8.847 -3.559 1.00 3.22 H new ATOM 1223 N LEU A 81 -12.468 -5.557 -2.580 1.00 71.41 N ATOM 1224 CA LEU A 81 -13.386 -5.281 -1.478 1.00 41.12 C ATOM 1225 C LEU A 81 -14.808 -5.739 -1.810 1.00 70.33 C ATOM 1226 O LEU A 81 -15.503 -6.260 -0.939 1.00 21.21 O ATOM 1227 CB LEU A 81 -13.216 -3.814 -1.044 1.00 62.21 C ATOM 1228 CG LEU A 81 -14.303 -2.819 -1.453 1.00 23.12 C ATOM 1229 CD1 LEU A 81 -15.508 -2.893 -0.510 1.00 72.23 C ATOM 1230 CD2 LEU A 81 -13.721 -1.406 -1.360 1.00 71.22 C ATOM 0 H LEU A 81 -12.031 -4.718 -2.961 1.00 71.41 H new ATOM 0 HA LEU A 81 -13.143 -5.875 -0.597 1.00 41.12 H new ATOM 0 HB2 LEU A 81 -13.135 -3.793 0.043 1.00 62.21 H new ATOM 0 HB3 LEU A 81 -12.267 -3.455 -1.441 1.00 62.21 H new ATOM 0 HG LEU A 81 -14.629 -3.059 -2.465 1.00 23.12 H new ATOM 0 HD11 LEU A 81 -16.263 -2.174 -0.827 1.00 72.23 H new ATOM 0 HD12 LEU A 81 -15.930 -3.898 -0.537 1.00 72.23 H new ATOM 0 HD13 LEU A 81 -15.190 -2.660 0.506 1.00 72.23 H new ATOM 0 HD21 LEU A 81 -14.481 -0.680 -1.648 1.00 71.22 H new ATOM 0 HD22 LEU A 81 -13.402 -1.211 -0.336 1.00 71.22 H new ATOM 0 HD23 LEU A 81 -12.865 -1.320 -2.029 1.00 71.22 H new ATOM 1242 N MET A 82 -15.231 -5.540 -3.057 1.00 74.44 N ATOM 1243 CA MET A 82 -16.532 -5.982 -3.544 1.00 72.21 C ATOM 1244 C MET A 82 -16.547 -7.495 -3.784 1.00 63.14 C ATOM 1245 O MET A 82 -17.585 -8.131 -3.593 1.00 21.32 O ATOM 1246 CB MET A 82 -16.873 -5.202 -4.820 1.00 65.11 C ATOM 1247 CG MET A 82 -17.105 -3.719 -4.482 1.00 74.51 C ATOM 1248 SD MET A 82 -17.789 -2.696 -5.816 1.00 14.01 S ATOM 1249 CE MET A 82 -16.418 -2.774 -7.000 1.00 62.42 C ATOM 0 H MET A 82 -14.672 -5.062 -3.764 1.00 74.44 H new ATOM 0 HA MET A 82 -17.293 -5.779 -2.790 1.00 72.21 H new ATOM 0 HB2 MET A 82 -16.062 -5.297 -5.542 1.00 65.11 H new ATOM 0 HB3 MET A 82 -17.765 -5.622 -5.286 1.00 65.11 H new ATOM 0 HG2 MET A 82 -17.778 -3.663 -3.627 1.00 74.51 H new ATOM 0 HG3 MET A 82 -16.155 -3.285 -4.169 1.00 74.51 H new ATOM 0 HE1 MET A 82 -16.640 -2.137 -7.856 1.00 62.42 H new ATOM 0 HE2 MET A 82 -15.502 -2.430 -6.520 1.00 62.42 H new ATOM 0 HE3 MET A 82 -16.286 -3.802 -7.337 1.00 62.42 H new ATOM 1259 N ASP A 83 -15.403 -8.066 -4.171 1.00 44.05 N ATOM 1260 CA ASP A 83 -15.179 -9.505 -4.276 1.00 4.23 C ATOM 1261 C ASP A 83 -15.351 -10.148 -2.906 1.00 34.34 C ATOM 1262 O ASP A 83 -16.037 -11.160 -2.790 1.00 70.44 O ATOM 1263 CB ASP A 83 -13.767 -9.793 -4.812 1.00 61.33 C ATOM 1264 CG ASP A 83 -13.737 -10.942 -5.802 1.00 61.13 C ATOM 1265 OD1 ASP A 83 -14.134 -10.689 -6.967 1.00 1.32 O ATOM 1266 OD2 ASP A 83 -13.192 -12.014 -5.470 1.00 33.40 O ATOM 0 H ASP A 83 -14.582 -7.518 -4.428 1.00 44.05 H new ATOM 0 HA ASP A 83 -15.906 -9.925 -4.971 1.00 4.23 H new ATOM 0 HB2 ASP A 83 -13.375 -8.896 -5.292 1.00 61.33 H new ATOM 0 HB3 ASP A 83 -13.106 -10.022 -3.976 1.00 61.33 H new ATOM 1271 N GLU A 84 -14.752 -9.551 -1.870 1.00 65.53 N ATOM 1272 CA GLU A 84 -14.651 -10.112 -0.521 1.00 72.22 C ATOM 1273 C GLU A 84 -15.963 -9.994 0.260 1.00 23.33 C ATOM 1274 O GLU A 84 -16.029 -10.469 1.397 1.00 3.20 O ATOM 1275 CB GLU A 84 -13.554 -9.373 0.276 1.00 5.14 C ATOM 1276 CG GLU A 84 -12.140 -9.492 -0.313 1.00 2.30 C ATOM 1277 CD GLU A 84 -11.110 -10.227 0.543 1.00 45.31 C ATOM 1278 OE1 GLU A 84 -10.981 -9.935 1.751 1.00 63.33 O ATOM 1279 OE2 GLU A 84 -10.301 -10.982 -0.050 1.00 25.32 O ATOM 0 H GLU A 84 -14.311 -8.635 -1.951 1.00 65.53 H new ATOM 0 HA GLU A 84 -14.409 -11.168 -0.639 1.00 72.22 H new ATOM 0 HB2 GLU A 84 -13.819 -8.318 0.339 1.00 5.14 H new ATOM 0 HB3 GLU A 84 -13.542 -9.760 1.295 1.00 5.14 H new ATOM 0 HG2 GLU A 84 -12.212 -10.001 -1.274 1.00 2.30 H new ATOM 0 HG3 GLU A 84 -11.766 -8.487 -0.511 1.00 2.30 H new ATOM 1286 N LEU A 85 -16.965 -9.267 -0.240 1.00 61.53 N ATOM 1287 CA LEU A 85 -18.255 -9.121 0.429 1.00 24.10 C ATOM 1288 C LEU A 85 -19.142 -10.236 -0.078 1.00 72.15 C ATOM 1289 O LEU A 85 -19.133 -11.304 0.562 1.00 53.45 O ATOM 1290 CB LEU A 85 -18.856 -7.713 0.218 1.00 51.34 C ATOM 1291 CG LEU A 85 -18.768 -6.827 1.468 1.00 70.43 C ATOM 1292 CD1 LEU A 85 -19.196 -5.399 1.123 1.00 2.41 C ATOM 1293 CD2 LEU A 85 -19.663 -7.344 2.603 1.00 72.51 C ATOM 0 H LEU A 85 -16.902 -8.762 -1.124 1.00 61.53 H new ATOM 0 HA LEU A 85 -18.148 -9.207 1.510 1.00 24.10 H new ATOM 0 HB2 LEU A 85 -18.336 -7.222 -0.605 1.00 51.34 H new ATOM 0 HB3 LEU A 85 -19.901 -7.811 -0.078 1.00 51.34 H new ATOM 0 HG LEU A 85 -17.732 -6.849 1.806 1.00 70.43 H new ATOM 0 HD11 LEU A 85 -19.132 -4.775 2.014 1.00 2.41 H new ATOM 0 HD12 LEU A 85 -18.539 -4.999 0.351 1.00 2.41 H new ATOM 0 HD13 LEU A 85 -20.223 -5.405 0.758 1.00 2.41 H new ATOM 0 HD21 LEU A 85 -19.570 -6.687 3.468 1.00 72.51 H new ATOM 0 HD22 LEU A 85 -20.701 -7.360 2.270 1.00 72.51 H new ATOM 0 HD23 LEU A 85 -19.355 -8.353 2.879 1.00 72.51 H new TER 1305 LEU A 85