USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 670 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 SER OG : rot 180:sc= 0.0589 USER MOD Set 1.2: A 34 THR OG1 : rot 180:sc=-0.00497 USER MOD Set 1.3: A 35 THR OG1 : rot -160:sc= -0.53 USER MOD Set 2.1: A 3 SER OG : rot -110:sc= 0.0663 USER MOD Set 2.2: A 10 LYS NZ :NH3+ 169:sc= 0.0633 (180deg=-0.124) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 160:sc= -0.641 USER MOD Single : A 12 GLN : amide:sc= -0.406 K(o=-0.41,f=-3.6!) USER MOD Single : A 14 MET CE :methyl -171:sc= -0.948 (180deg=-1.1) USER MOD Single : A 16 SER OG : rot -63:sc= 0.103 USER MOD Single : A 20 CYS SG : rot 86:sc= -0.417 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.103 K(o=-0.1,f=-2.2!) USER MOD Single : A 27 GLN : amide:sc= -0.077 K(o=-0.077,f=-2!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= -0.0118 (180deg=-0.0118) USER MOD Single : A 29 GLN : amide:sc= -0.0805 K(o=-0.081,f=-2.1!) USER MOD Single : A 36 ASN : amide:sc= -0.932 K(o=-0.93,f=-7!) USER MOD Single : A 39 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0112) USER MOD Single : A 42 ASN : amide:sc= -0.127 K(o=-0.13,f=-2!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 153:sc= -0.195 (180deg=-0.865) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 84:sc= 1.29 USER MOD Single : A 69 GLN : amide:sc= -0.498 X(o=-0.5,f=-0.38) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.203 USER MOD Single : A 78 CYS SG : rot -36:sc= -0.835 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -106:sc= 0.205 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 4.369 0.959 2.859 1.00 52.34 N ATOM 2 CA PRO A 1 2.971 0.599 3.115 1.00 33.32 C ATOM 3 C PRO A 1 2.210 0.278 1.833 1.00 25.01 C ATOM 4 O PRO A 1 1.995 1.151 0.994 1.00 60.42 O ATOM 5 CB PRO A 1 2.398 1.854 3.778 1.00 71.02 C ATOM 6 CG PRO A 1 3.257 2.968 3.287 1.00 74.43 C ATOM 7 CD PRO A 1 4.632 2.384 3.116 1.00 30.13 C ATOM 0 H2 PRO A 1 4.603 0.741 1.890 1.00 52.34 H new ATOM 0 H3 PRO A 1 4.978 0.391 3.448 1.00 52.34 H new ATOM 0 HA PRO A 1 2.887 -0.299 3.727 1.00 33.32 H new ATOM 0 HB2 PRO A 1 1.355 2.007 3.501 1.00 71.02 H new ATOM 0 HB3 PRO A 1 2.431 1.778 4.865 1.00 71.02 H new ATOM 0 HG2 PRO A 1 2.881 3.364 2.344 1.00 74.43 H new ATOM 0 HG3 PRO A 1 3.269 3.794 3.998 1.00 74.43 H new ATOM 0 HD2 PRO A 1 5.166 2.850 2.288 1.00 30.13 H new ATOM 0 HD3 PRO A 1 5.242 2.525 4.008 1.00 30.13 H new ATOM 15 N GLY A 2 1.805 -0.980 1.690 1.00 34.43 N ATOM 16 CA GLY A 2 1.072 -1.393 0.506 1.00 52.43 C ATOM 17 C GLY A 2 1.540 -2.732 -0.027 1.00 71.25 C ATOM 18 O GLY A 2 2.740 -2.969 -0.163 1.00 34.30 O ATOM 0 H GLY A 2 1.971 -1.720 2.372 1.00 34.43 H new ATOM 0 HA2 GLY A 2 0.009 -1.451 0.742 1.00 52.43 H new ATOM 0 HA3 GLY A 2 1.186 -0.636 -0.270 1.00 52.43 H new ATOM 22 N SER A 3 0.590 -3.612 -0.329 1.00 72.21 N ATOM 23 CA SER A 3 0.911 -4.937 -0.845 1.00 61.54 C ATOM 24 C SER A 3 -0.252 -5.501 -1.655 1.00 62.44 C ATOM 25 O SER A 3 -1.312 -5.806 -1.110 1.00 61.12 O ATOM 26 CB SER A 3 1.255 -5.886 0.304 1.00 31.31 C ATOM 27 OG SER A 3 2.147 -6.901 -0.120 1.00 12.05 O ATOM 0 H SER A 3 -0.408 -3.431 -0.225 1.00 72.21 H new ATOM 0 HA SER A 3 1.777 -4.844 -1.501 1.00 61.54 H new ATOM 0 HB2 SER A 3 1.703 -5.323 1.123 1.00 31.31 H new ATOM 0 HB3 SER A 3 0.342 -6.339 0.691 1.00 31.31 H new ATOM 0 HG SER A 3 1.678 -7.761 -0.139 1.00 12.05 H new ATOM 33 N MET A 4 -0.044 -5.636 -2.961 1.00 71.22 N ATOM 34 CA MET A 4 -1.074 -6.165 -3.847 1.00 10.34 C ATOM 35 C MET A 4 -0.959 -7.681 -3.973 1.00 13.52 C ATOM 36 O MET A 4 -1.940 -8.367 -4.256 1.00 10.30 O ATOM 37 CB MET A 4 -0.968 -5.518 -5.230 1.00 21.22 C ATOM 38 CG MET A 4 -1.038 -4.000 -5.196 1.00 65.30 C ATOM 39 SD MET A 4 -2.731 -3.381 -5.182 1.00 72.13 S ATOM 40 CE MET A 4 -2.494 -1.733 -5.842 1.00 41.52 C ATOM 0 H MET A 4 0.828 -5.387 -3.428 1.00 71.22 H new ATOM 0 HA MET A 4 -2.046 -5.927 -3.415 1.00 10.34 H new ATOM 0 HB2 MET A 4 -0.029 -5.820 -5.693 1.00 21.22 H new ATOM 0 HB3 MET A 4 -1.771 -5.897 -5.862 1.00 21.22 H new ATOM 0 HG2 MET A 4 -0.515 -3.636 -4.311 1.00 65.30 H new ATOM 0 HG3 MET A 4 -0.515 -3.597 -6.063 1.00 65.30 H new ATOM 0 HE1 MET A 4 -3.455 -1.221 -5.895 1.00 41.52 H new ATOM 0 HE2 MET A 4 -1.820 -1.174 -5.192 1.00 41.52 H new ATOM 0 HE3 MET A 4 -2.063 -1.800 -6.841 1.00 41.52 H new ATOM 50 N VAL A 5 0.248 -8.197 -3.760 1.00 50.34 N ATOM 51 CA VAL A 5 0.491 -9.632 -3.849 1.00 72.33 C ATOM 52 C VAL A 5 -0.382 -10.400 -2.862 1.00 44.51 C ATOM 53 O VAL A 5 -1.193 -9.812 -2.147 1.00 2.23 O ATOM 54 CB VAL A 5 1.969 -9.968 -3.578 1.00 11.11 C ATOM 55 CG1 VAL A 5 2.849 -9.462 -4.711 1.00 21.20 C ATOM 56 CG2 VAL A 5 2.413 -9.383 -2.245 1.00 11.22 C ATOM 0 H VAL A 5 1.072 -7.643 -3.525 1.00 50.34 H new ATOM 0 HA VAL A 5 0.237 -9.934 -4.865 1.00 72.33 H new ATOM 0 HB VAL A 5 2.073 -11.052 -3.526 1.00 11.11 H new ATOM 0 HG11 VAL A 5 3.890 -9.709 -4.501 1.00 21.20 H new ATOM 0 HG12 VAL A 5 2.545 -9.933 -5.646 1.00 21.20 H new ATOM 0 HG13 VAL A 5 2.743 -8.381 -4.799 1.00 21.20 H new ATOM 0 HG21 VAL A 5 3.460 -9.630 -2.070 1.00 11.22 H new ATOM 0 HG22 VAL A 5 2.295 -8.300 -2.266 1.00 11.22 H new ATOM 0 HG23 VAL A 5 1.803 -9.800 -1.444 1.00 11.22 H new ATOM 66 N SER A 6 -0.211 -11.717 -2.829 1.00 10.42 N ATOM 67 CA SER A 6 -0.986 -12.567 -1.932 1.00 13.32 C ATOM 68 C SER A 6 -0.721 -12.202 -0.474 1.00 1.55 C ATOM 69 O SER A 6 0.247 -12.667 0.126 1.00 70.20 O ATOM 70 CB SER A 6 -0.645 -14.040 -2.171 1.00 31.11 C ATOM 71 OG SER A 6 -1.515 -14.888 -1.440 1.00 12.30 O ATOM 0 H SER A 6 0.457 -12.219 -3.413 1.00 10.42 H new ATOM 0 HA SER A 6 -2.044 -12.407 -2.142 1.00 13.32 H new ATOM 0 HB2 SER A 6 -0.720 -14.266 -3.235 1.00 31.11 H new ATOM 0 HB3 SER A 6 0.387 -14.231 -1.876 1.00 31.11 H new ATOM 0 HG SER A 6 -1.505 -15.785 -1.834 1.00 12.30 H new ATOM 77 N GLU A 7 -1.589 -11.366 0.086 1.00 25.12 N ATOM 78 CA GLU A 7 -1.450 -10.937 1.473 1.00 23.40 C ATOM 79 C GLU A 7 -1.308 -12.140 2.402 1.00 11.43 C ATOM 80 O GLU A 7 -0.631 -12.067 3.427 1.00 4.20 O ATOM 81 CB GLU A 7 -2.654 -10.093 1.893 1.00 61.41 C ATOM 82 CG GLU A 7 -2.513 -9.477 3.275 1.00 52.15 C ATOM 83 CD GLU A 7 -3.691 -8.597 3.644 1.00 32.24 C ATOM 84 OE1 GLU A 7 -4.422 -8.166 2.728 1.00 63.30 O ATOM 85 OE2 GLU A 7 -3.884 -8.340 4.851 1.00 13.40 O ATOM 0 H GLU A 7 -2.396 -10.972 -0.399 1.00 25.12 H new ATOM 0 HA GLU A 7 -0.547 -10.331 1.550 1.00 23.40 H new ATOM 0 HB2 GLU A 7 -2.802 -9.297 1.163 1.00 61.41 H new ATOM 0 HB3 GLU A 7 -3.549 -10.715 1.871 1.00 61.41 H new ATOM 0 HG2 GLU A 7 -2.412 -10.272 4.014 1.00 52.15 H new ATOM 0 HG3 GLU A 7 -1.597 -8.887 3.314 1.00 52.15 H new ATOM 92 N GLU A 8 -1.954 -13.242 2.036 1.00 62.33 N ATOM 93 CA GLU A 8 -1.901 -14.459 2.837 1.00 22.01 C ATOM 94 C GLU A 8 -0.469 -14.969 2.960 1.00 45.53 C ATOM 95 O GLU A 8 0.013 -15.241 4.060 1.00 0.33 O ATOM 96 CB GLU A 8 -2.790 -15.542 2.220 1.00 5.22 C ATOM 97 CG GLU A 8 -3.318 -16.545 3.231 1.00 4.01 C ATOM 98 CD GLU A 8 -4.546 -17.283 2.733 1.00 65.32 C ATOM 99 OE1 GLU A 8 -5.572 -16.621 2.473 1.00 20.33 O ATOM 100 OE2 GLU A 8 -4.480 -18.524 2.604 1.00 10.50 O ATOM 0 H GLU A 8 -2.520 -13.317 1.191 1.00 62.33 H new ATOM 0 HA GLU A 8 -2.270 -14.222 3.835 1.00 22.01 H new ATOM 0 HB2 GLU A 8 -3.633 -15.066 1.719 1.00 5.22 H new ATOM 0 HB3 GLU A 8 -2.223 -16.073 1.456 1.00 5.22 H new ATOM 0 HG2 GLU A 8 -2.535 -17.266 3.465 1.00 4.01 H new ATOM 0 HG3 GLU A 8 -3.561 -16.027 4.159 1.00 4.01 H new ATOM 107 N ILE A 9 0.207 -15.098 1.822 1.00 60.43 N ATOM 108 CA ILE A 9 1.583 -15.574 1.801 1.00 52.14 C ATOM 109 C ILE A 9 2.540 -14.513 2.333 1.00 13.42 C ATOM 110 O ILE A 9 3.562 -14.832 2.941 1.00 51.22 O ATOM 111 CB ILE A 9 2.019 -15.976 0.379 1.00 32.12 C ATOM 112 CG1 ILE A 9 0.934 -16.821 -0.290 1.00 51.12 C ATOM 113 CG2 ILE A 9 3.337 -16.733 0.422 1.00 50.42 C ATOM 114 CD1 ILE A 9 1.325 -17.332 -1.660 1.00 72.45 C ATOM 0 H ILE A 9 -0.177 -14.879 0.903 1.00 60.43 H new ATOM 0 HA ILE A 9 1.623 -16.452 2.446 1.00 52.14 H new ATOM 0 HB ILE A 9 2.163 -15.070 -0.210 1.00 32.12 H new ATOM 0 HG12 ILE A 9 0.698 -17.670 0.352 1.00 51.12 H new ATOM 0 HG13 ILE A 9 0.025 -16.226 -0.379 1.00 51.12 H new ATOM 0 HG21 ILE A 9 3.631 -17.010 -0.591 1.00 50.42 H new ATOM 0 HG22 ILE A 9 4.106 -16.099 0.863 1.00 50.42 H new ATOM 0 HG23 ILE A 9 3.220 -17.634 1.025 1.00 50.42 H new ATOM 0 HD11 ILE A 9 0.508 -17.923 -2.075 1.00 72.45 H new ATOM 0 HD12 ILE A 9 1.532 -16.488 -2.318 1.00 72.45 H new ATOM 0 HD13 ILE A 9 2.216 -17.954 -1.576 1.00 72.45 H new ATOM 126 N LYS A 10 2.202 -13.250 2.103 1.00 24.45 N ATOM 127 CA LYS A 10 3.028 -12.139 2.561 1.00 53.51 C ATOM 128 C LYS A 10 3.353 -12.279 4.045 1.00 24.33 C ATOM 129 O LYS A 10 4.475 -12.012 4.472 1.00 33.51 O ATOM 130 CB LYS A 10 2.318 -10.809 2.306 1.00 74.03 C ATOM 131 CG LYS A 10 3.268 -9.651 2.051 1.00 54.41 C ATOM 132 CD LYS A 10 3.828 -9.092 3.348 1.00 65.13 C ATOM 133 CE LYS A 10 4.597 -7.801 3.114 1.00 45.24 C ATOM 134 NZ LYS A 10 3.690 -6.670 2.773 1.00 3.11 N ATOM 0 H LYS A 10 1.360 -12.969 1.601 1.00 24.45 H new ATOM 0 HA LYS A 10 3.962 -12.157 1.999 1.00 53.51 H new ATOM 0 HB2 LYS A 10 1.655 -10.920 1.448 1.00 74.03 H new ATOM 0 HB3 LYS A 10 1.691 -10.571 3.165 1.00 74.03 H new ATOM 0 HG2 LYS A 10 4.087 -9.985 1.414 1.00 54.41 H new ATOM 0 HG3 LYS A 10 2.745 -8.863 1.510 1.00 54.41 H new ATOM 0 HD2 LYS A 10 3.013 -8.909 4.048 1.00 65.13 H new ATOM 0 HD3 LYS A 10 4.485 -9.829 3.809 1.00 65.13 H new ATOM 0 HE2 LYS A 10 5.169 -7.551 4.008 1.00 45.24 H new ATOM 0 HE3 LYS A 10 5.315 -7.947 2.307 1.00 45.24 H new ATOM 0 HZ1 LYS A 10 4.222 -5.777 2.804 1.00 3.11 H new ATOM 0 HZ2 LYS A 10 3.304 -6.810 1.817 1.00 3.11 H new ATOM 0 HZ3 LYS A 10 2.910 -6.632 3.459 1.00 3.11 H new ATOM 148 N ALA A 11 2.363 -12.700 4.825 1.00 50.21 N ATOM 149 CA ALA A 11 2.544 -12.879 6.261 1.00 34.33 C ATOM 150 C ALA A 11 3.458 -14.063 6.556 1.00 4.45 C ATOM 151 O ALA A 11 4.188 -14.064 7.546 1.00 53.20 O ATOM 152 CB ALA A 11 1.197 -13.065 6.944 1.00 43.42 C ATOM 0 H ALA A 11 1.427 -12.924 4.487 1.00 50.21 H new ATOM 0 HA ALA A 11 3.018 -11.981 6.657 1.00 34.33 H new ATOM 0 HB1 ALA A 11 1.348 -13.197 8.015 1.00 43.42 H new ATOM 0 HB2 ALA A 11 0.577 -12.186 6.771 1.00 43.42 H new ATOM 0 HB3 ALA A 11 0.701 -13.945 6.536 1.00 43.42 H new ATOM 158 N GLN A 12 3.410 -15.071 5.690 1.00 24.33 N ATOM 159 CA GLN A 12 4.233 -16.263 5.859 1.00 2.14 C ATOM 160 C GLN A 12 5.685 -15.979 5.487 1.00 42.14 C ATOM 161 O GLN A 12 6.607 -16.349 6.213 1.00 75.20 O ATOM 162 CB GLN A 12 3.690 -17.410 5.005 1.00 54.01 C ATOM 163 CG GLN A 12 2.487 -18.109 5.619 1.00 32.44 C ATOM 164 CD GLN A 12 2.869 -19.359 6.386 1.00 15.14 C ATOM 165 OE1 GLN A 12 2.725 -20.476 5.887 1.00 41.43 O ATOM 166 NE2 GLN A 12 3.358 -19.178 7.607 1.00 62.23 N ATOM 0 H GLN A 12 2.810 -15.086 4.865 1.00 24.33 H new ATOM 0 HA GLN A 12 4.196 -16.553 6.909 1.00 2.14 H new ATOM 0 HB2 GLN A 12 3.413 -17.022 4.025 1.00 54.01 H new ATOM 0 HB3 GLN A 12 4.483 -18.141 4.847 1.00 54.01 H new ATOM 0 HG2 GLN A 12 1.973 -17.419 6.288 1.00 32.44 H new ATOM 0 HG3 GLN A 12 1.782 -18.372 4.830 1.00 32.44 H new ATOM 0 HE21 GLN A 12 3.460 -18.234 7.981 1.00 62.23 H new ATOM 0 HE22 GLN A 12 3.632 -19.982 8.171 1.00 62.23 H new ATOM 175 N VAL A 13 5.881 -15.320 4.349 1.00 55.30 N ATOM 176 CA VAL A 13 7.221 -14.986 3.880 1.00 61.15 C ATOM 177 C VAL A 13 7.910 -14.016 4.833 1.00 35.34 C ATOM 178 O VAL A 13 9.090 -14.174 5.149 1.00 43.12 O ATOM 179 CB VAL A 13 7.183 -14.365 2.471 1.00 14.51 C ATOM 180 CG1 VAL A 13 6.726 -15.391 1.447 1.00 15.43 C ATOM 181 CG2 VAL A 13 6.279 -13.141 2.453 1.00 71.30 C ATOM 0 H VAL A 13 5.129 -15.007 3.735 1.00 55.30 H new ATOM 0 HA VAL A 13 7.786 -15.918 3.843 1.00 61.15 H new ATOM 0 HB VAL A 13 8.191 -14.048 2.205 1.00 14.51 H new ATOM 0 HG11 VAL A 13 6.706 -14.934 0.458 1.00 15.43 H new ATOM 0 HG12 VAL A 13 7.417 -16.234 1.443 1.00 15.43 H new ATOM 0 HG13 VAL A 13 5.727 -15.742 1.705 1.00 15.43 H new ATOM 0 HG21 VAL A 13 6.264 -12.715 1.450 1.00 71.30 H new ATOM 0 HG22 VAL A 13 5.268 -13.431 2.739 1.00 71.30 H new ATOM 0 HG23 VAL A 13 6.657 -12.399 3.157 1.00 71.30 H new ATOM 191 N MET A 14 7.167 -13.014 5.289 1.00 13.51 N ATOM 192 CA MET A 14 7.708 -12.019 6.208 1.00 42.15 C ATOM 193 C MET A 14 7.960 -12.629 7.583 1.00 13.12 C ATOM 194 O MET A 14 8.942 -12.299 8.247 1.00 73.12 O ATOM 195 CB MET A 14 6.749 -10.834 6.332 1.00 42.43 C ATOM 196 CG MET A 14 5.445 -11.177 7.036 1.00 3.14 C ATOM 197 SD MET A 14 5.493 -10.816 8.801 1.00 42.00 S ATOM 198 CE MET A 14 3.892 -11.434 9.317 1.00 52.44 C ATOM 0 H MET A 14 6.189 -12.869 5.038 1.00 13.51 H new ATOM 0 HA MET A 14 8.658 -11.668 5.806 1.00 42.15 H new ATOM 0 HB2 MET A 14 7.246 -10.031 6.876 1.00 42.43 H new ATOM 0 HB3 MET A 14 6.525 -10.453 5.336 1.00 42.43 H new ATOM 0 HG2 MET A 14 4.630 -10.617 6.577 1.00 3.14 H new ATOM 0 HG3 MET A 14 5.226 -12.235 6.891 1.00 3.14 H new ATOM 0 HE1 MET A 14 3.704 -11.140 10.350 1.00 52.44 H new ATOM 0 HE2 MET A 14 3.117 -11.017 8.675 1.00 52.44 H new ATOM 0 HE3 MET A 14 3.880 -12.521 9.241 1.00 52.44 H new ATOM 208 N GLU A 15 7.069 -13.521 8.003 1.00 31.13 N ATOM 209 CA GLU A 15 7.196 -14.176 9.299 1.00 3.51 C ATOM 210 C GLU A 15 8.399 -15.114 9.319 1.00 40.41 C ATOM 211 O GLU A 15 9.080 -15.247 10.337 1.00 50.11 O ATOM 212 CB GLU A 15 5.921 -14.956 9.629 1.00 51.42 C ATOM 213 CG GLU A 15 6.012 -15.752 10.921 1.00 64.33 C ATOM 214 CD GLU A 15 4.684 -16.361 11.325 1.00 14.11 C ATOM 215 OE1 GLU A 15 3.750 -15.592 11.638 1.00 12.44 O ATOM 216 OE2 GLU A 15 4.577 -17.605 11.329 1.00 72.54 O ATOM 0 H GLU A 15 6.251 -13.807 7.464 1.00 31.13 H new ATOM 0 HA GLU A 15 7.346 -13.404 10.054 1.00 3.51 H new ATOM 0 HB2 GLU A 15 5.086 -14.259 9.700 1.00 51.42 H new ATOM 0 HB3 GLU A 15 5.699 -15.637 8.807 1.00 51.42 H new ATOM 0 HG2 GLU A 15 6.750 -16.545 10.804 1.00 64.33 H new ATOM 0 HG3 GLU A 15 6.367 -15.101 11.720 1.00 64.33 H new ATOM 223 N SER A 16 8.655 -15.762 8.187 1.00 34.34 N ATOM 224 CA SER A 16 9.774 -16.691 8.075 1.00 4.21 C ATOM 225 C SER A 16 11.098 -15.938 7.979 1.00 25.30 C ATOM 226 O SER A 16 12.098 -16.340 8.573 1.00 71.45 O ATOM 227 CB SER A 16 9.595 -17.591 6.850 1.00 21.44 C ATOM 228 OG SER A 16 10.254 -17.049 5.719 1.00 73.30 O ATOM 0 H SER A 16 8.103 -15.661 7.335 1.00 34.34 H new ATOM 0 HA SER A 16 9.793 -17.310 8.972 1.00 4.21 H new ATOM 0 HB2 SER A 16 9.990 -18.584 7.064 1.00 21.44 H new ATOM 0 HB3 SER A 16 8.533 -17.710 6.634 1.00 21.44 H new ATOM 0 HG SER A 16 9.845 -16.190 5.483 1.00 73.30 H new ATOM 234 N VAL A 17 11.096 -14.844 7.225 1.00 40.23 N ATOM 235 CA VAL A 17 12.295 -14.034 7.050 1.00 71.33 C ATOM 236 C VAL A 17 12.744 -13.424 8.374 1.00 73.43 C ATOM 237 O VAL A 17 13.902 -13.560 8.770 1.00 75.50 O ATOM 238 CB VAL A 17 12.065 -12.902 6.030 1.00 54.13 C ATOM 239 CG1 VAL A 17 13.246 -11.944 6.020 1.00 61.33 C ATOM 240 CG2 VAL A 17 11.823 -13.479 4.642 1.00 64.43 C ATOM 0 H VAL A 17 10.277 -14.498 6.725 1.00 40.23 H new ATOM 0 HA VAL A 17 13.073 -14.699 6.675 1.00 71.33 H new ATOM 0 HB VAL A 17 11.178 -12.343 6.327 1.00 54.13 H new ATOM 0 HG11 VAL A 17 13.065 -11.151 5.294 1.00 61.33 H new ATOM 0 HG12 VAL A 17 13.368 -11.507 7.011 1.00 61.33 H new ATOM 0 HG13 VAL A 17 14.152 -12.486 5.748 1.00 61.33 H new ATOM 0 HG21 VAL A 17 11.662 -12.667 3.933 1.00 64.43 H new ATOM 0 HG22 VAL A 17 12.691 -14.063 4.334 1.00 64.43 H new ATOM 0 HG23 VAL A 17 10.943 -14.121 4.663 1.00 64.43 H new ATOM 250 N ILE A 18 11.819 -12.754 9.055 1.00 20.20 N ATOM 251 CA ILE A 18 12.121 -12.126 10.335 1.00 4.21 C ATOM 252 C ILE A 18 12.844 -13.093 11.266 1.00 21.34 C ATOM 253 O ILE A 18 13.909 -12.781 11.796 1.00 62.42 O ATOM 254 CB ILE A 18 10.842 -11.622 11.029 1.00 54.43 C ATOM 255 CG1 ILE A 18 10.181 -10.524 10.194 1.00 21.40 C ATOM 256 CG2 ILE A 18 11.162 -11.112 12.426 1.00 35.43 C ATOM 257 CD1 ILE A 18 8.689 -10.409 10.419 1.00 14.31 C ATOM 0 H ILE A 18 10.856 -12.633 8.742 1.00 20.20 H new ATOM 0 HA ILE A 18 12.770 -11.276 10.124 1.00 4.21 H new ATOM 0 HB ILE A 18 10.144 -12.454 11.119 1.00 54.43 H new ATOM 0 HG12 ILE A 18 10.650 -9.568 10.428 1.00 21.40 H new ATOM 0 HG13 ILE A 18 10.367 -10.720 9.138 1.00 21.40 H new ATOM 0 HG21 ILE A 18 10.248 -10.759 12.903 1.00 35.43 H new ATOM 0 HG22 ILE A 18 11.592 -11.919 13.018 1.00 35.43 H new ATOM 0 HG23 ILE A 18 11.876 -10.291 12.359 1.00 35.43 H new ATOM 0 HD11 ILE A 18 8.287 -9.611 9.795 1.00 14.31 H new ATOM 0 HD12 ILE A 18 8.208 -11.351 10.157 1.00 14.31 H new ATOM 0 HD13 ILE A 18 8.496 -10.182 11.467 1.00 14.31 H new ATOM 269 N GLY A 19 12.258 -14.271 11.458 1.00 20.44 N ATOM 270 CA GLY A 19 12.862 -15.267 12.323 1.00 33.42 C ATOM 271 C GLY A 19 14.064 -15.936 11.688 1.00 43.03 C ATOM 272 O GLY A 19 14.928 -16.468 12.385 1.00 24.14 O ATOM 0 H GLY A 19 11.376 -14.553 11.030 1.00 20.44 H new ATOM 0 HA2 GLY A 19 13.165 -14.796 13.258 1.00 33.42 H new ATOM 0 HA3 GLY A 19 12.119 -16.024 12.574 1.00 33.42 H new ATOM 276 N CYS A 20 14.120 -15.911 10.361 1.00 11.52 N ATOM 277 CA CYS A 20 15.225 -16.521 9.630 1.00 1.22 C ATOM 278 C CYS A 20 16.545 -15.834 9.966 1.00 65.11 C ATOM 279 O CYS A 20 17.529 -16.490 10.311 1.00 25.20 O ATOM 280 CB CYS A 20 14.968 -16.452 8.124 1.00 12.21 C ATOM 281 SG CYS A 20 14.418 -18.013 7.396 1.00 23.42 S ATOM 0 H CYS A 20 13.413 -15.475 9.769 1.00 11.52 H new ATOM 0 HA CYS A 20 15.294 -17.566 9.931 1.00 1.22 H new ATOM 0 HB2 CYS A 20 14.215 -15.688 7.929 1.00 12.21 H new ATOM 0 HB3 CYS A 20 15.883 -16.133 7.625 1.00 12.21 H new ATOM 0 HG CYS A 20 13.128 -18.119 7.520 1.00 23.42 H new ATOM 287 N LEU A 21 16.559 -14.509 9.860 1.00 53.41 N ATOM 288 CA LEU A 21 17.759 -13.732 10.152 1.00 51.22 C ATOM 289 C LEU A 21 17.631 -13.016 11.492 1.00 15.30 C ATOM 290 O LEU A 21 18.500 -12.232 11.875 1.00 53.22 O ATOM 291 CB LEU A 21 18.012 -12.715 9.038 1.00 25.12 C ATOM 292 CG LEU A 21 16.791 -12.297 8.219 1.00 53.32 C ATOM 293 CD1 LEU A 21 16.980 -10.898 7.654 1.00 4.41 C ATOM 294 CD2 LEU A 21 16.534 -13.296 7.100 1.00 52.43 C ATOM 0 H LEU A 21 15.754 -13.951 9.574 1.00 53.41 H new ATOM 0 HA LEU A 21 18.604 -14.418 10.209 1.00 51.22 H new ATOM 0 HB2 LEU A 21 18.449 -11.821 9.482 1.00 25.12 H new ATOM 0 HB3 LEU A 21 18.756 -13.129 8.358 1.00 25.12 H new ATOM 0 HG LEU A 21 15.922 -12.286 8.877 1.00 53.32 H new ATOM 0 HD11 LEU A 21 16.101 -10.618 7.074 1.00 4.41 H new ATOM 0 HD12 LEU A 21 17.116 -10.190 8.472 1.00 4.41 H new ATOM 0 HD13 LEU A 21 17.859 -10.881 7.010 1.00 4.41 H new ATOM 0 HD21 LEU A 21 15.661 -12.984 6.527 1.00 52.43 H new ATOM 0 HD22 LEU A 21 17.403 -13.339 6.444 1.00 52.43 H new ATOM 0 HD23 LEU A 21 16.353 -14.282 7.527 1.00 52.43 H new ATOM 306 N LYS A 22 16.543 -13.292 12.203 1.00 1.40 N ATOM 307 CA LYS A 22 16.303 -12.677 13.504 1.00 75.54 C ATOM 308 C LYS A 22 16.465 -11.163 13.428 1.00 52.33 C ATOM 309 O LYS A 22 17.556 -10.634 13.648 1.00 32.45 O ATOM 310 CB LYS A 22 17.262 -13.252 14.548 1.00 53.14 C ATOM 311 CG LYS A 22 16.884 -14.647 15.018 1.00 11.31 C ATOM 312 CD LYS A 22 17.945 -15.232 15.936 1.00 24.50 C ATOM 313 CE LYS A 22 19.216 -15.572 15.173 1.00 14.00 C ATOM 314 NZ LYS A 22 20.055 -16.559 15.907 1.00 54.14 N ATOM 0 H LYS A 22 15.813 -13.937 11.901 1.00 1.40 H new ATOM 0 HA LYS A 22 15.278 -12.900 13.800 1.00 75.54 H new ATOM 0 HB2 LYS A 22 18.268 -13.279 14.129 1.00 53.14 H new ATOM 0 HB3 LYS A 22 17.293 -12.584 15.408 1.00 53.14 H new ATOM 0 HG2 LYS A 22 15.929 -14.609 15.542 1.00 11.31 H new ATOM 0 HG3 LYS A 22 16.749 -15.299 14.155 1.00 11.31 H new ATOM 0 HD2 LYS A 22 18.175 -14.520 16.729 1.00 24.50 H new ATOM 0 HD3 LYS A 22 17.557 -16.130 16.417 1.00 24.50 H new ATOM 0 HE2 LYS A 22 18.955 -15.974 14.194 1.00 14.00 H new ATOM 0 HE3 LYS A 22 19.791 -14.662 15.002 1.00 14.00 H new ATOM 0 HZ1 LYS A 22 20.912 -16.765 15.355 1.00 54.14 H new ATOM 0 HZ2 LYS A 22 20.325 -16.166 16.831 1.00 54.14 H new ATOM 0 HZ3 LYS A 22 19.515 -17.437 16.048 1.00 54.14 H new ATOM 328 N LEU A 23 15.375 -10.470 13.117 1.00 63.12 N ATOM 329 CA LEU A 23 15.397 -9.014 13.014 1.00 10.22 C ATOM 330 C LEU A 23 15.012 -8.370 14.342 1.00 71.20 C ATOM 331 O LEU A 23 14.231 -8.928 15.110 1.00 42.11 O ATOM 332 CB LEU A 23 14.446 -8.547 11.911 1.00 24.31 C ATOM 333 CG LEU A 23 14.956 -8.700 10.477 1.00 34.40 C ATOM 334 CD1 LEU A 23 16.275 -7.966 10.298 1.00 62.24 C ATOM 335 CD2 LEU A 23 15.108 -10.171 10.119 1.00 71.34 C ATOM 0 H LEU A 23 14.465 -10.892 12.932 1.00 63.12 H new ATOM 0 HA LEU A 23 16.412 -8.706 12.763 1.00 10.22 H new ATOM 0 HB2 LEU A 23 13.512 -9.102 12.005 1.00 24.31 H new ATOM 0 HB3 LEU A 23 14.211 -7.496 12.082 1.00 24.31 H new ATOM 0 HG LEU A 23 14.224 -8.257 9.802 1.00 34.40 H new ATOM 0 HD11 LEU A 23 16.622 -8.086 9.272 1.00 62.24 H new ATOM 0 HD12 LEU A 23 16.134 -6.906 10.511 1.00 62.24 H new ATOM 0 HD13 LEU A 23 17.017 -8.378 10.982 1.00 62.24 H new ATOM 0 HD21 LEU A 23 15.472 -10.261 9.095 1.00 71.34 H new ATOM 0 HD22 LEU A 23 15.819 -10.639 10.799 1.00 71.34 H new ATOM 0 HD23 LEU A 23 14.142 -10.668 10.206 1.00 71.34 H new ATOM 347 N ASN A 24 15.562 -7.188 14.602 1.00 45.20 N ATOM 348 CA ASN A 24 15.274 -6.465 15.835 1.00 65.04 C ATOM 349 C ASN A 24 14.117 -5.491 15.637 1.00 22.23 C ATOM 350 O ASN A 24 13.592 -5.351 14.532 1.00 61.52 O ATOM 351 CB ASN A 24 16.517 -5.709 16.309 1.00 25.14 C ATOM 352 CG ASN A 24 17.464 -6.591 17.098 1.00 24.34 C ATOM 353 OD1 ASN A 24 17.099 -7.685 17.529 1.00 75.32 O ATOM 354 ND2 ASN A 24 18.691 -6.119 17.291 1.00 12.31 N ATOM 0 H ASN A 24 16.210 -6.711 13.975 1.00 45.20 H new ATOM 0 HA ASN A 24 14.987 -7.192 16.595 1.00 65.04 H new ATOM 0 HB2 ASN A 24 17.041 -5.299 15.445 1.00 25.14 H new ATOM 0 HB3 ASN A 24 16.212 -4.864 16.927 1.00 25.14 H new ATOM 0 HD21 ASN A 24 19.373 -6.669 17.814 1.00 12.31 H new ATOM 0 HD22 ASN A 24 18.951 -5.207 16.916 1.00 12.31 H new ATOM 361 N ASP A 25 13.725 -4.819 16.714 1.00 44.23 N ATOM 362 CA ASP A 25 12.632 -3.856 16.658 1.00 34.40 C ATOM 363 C ASP A 25 12.908 -2.780 15.614 1.00 23.34 C ATOM 364 O ASP A 25 11.988 -2.276 14.971 1.00 45.40 O ATOM 365 CB ASP A 25 12.421 -3.213 18.030 1.00 1.51 C ATOM 366 CG ASP A 25 12.460 -4.225 19.158 1.00 64.32 C ATOM 367 OD1 ASP A 25 13.573 -4.639 19.545 1.00 20.14 O ATOM 368 OD2 ASP A 25 11.378 -4.605 19.652 1.00 24.33 O ATOM 0 H ASP A 25 14.148 -4.924 17.636 1.00 44.23 H new ATOM 0 HA ASP A 25 11.725 -4.389 16.372 1.00 34.40 H new ATOM 0 HB2 ASP A 25 13.190 -2.459 18.196 1.00 1.51 H new ATOM 0 HB3 ASP A 25 11.461 -2.697 18.042 1.00 1.51 H new ATOM 373 N GLU A 26 14.180 -2.431 15.453 1.00 23.44 N ATOM 374 CA GLU A 26 14.576 -1.412 14.488 1.00 51.55 C ATOM 375 C GLU A 26 14.423 -1.927 13.060 1.00 41.22 C ATOM 376 O GLU A 26 13.761 -1.301 12.232 1.00 64.53 O ATOM 377 CB GLU A 26 16.023 -0.980 14.734 1.00 23.33 C ATOM 378 CG GLU A 26 16.451 0.215 13.899 1.00 11.13 C ATOM 379 CD GLU A 26 17.686 0.900 14.451 1.00 33.12 C ATOM 380 OE1 GLU A 26 17.761 1.086 15.683 1.00 53.41 O ATOM 381 OE2 GLU A 26 18.579 1.250 13.650 1.00 10.11 O ATOM 0 H GLU A 26 14.954 -2.839 15.978 1.00 23.44 H new ATOM 0 HA GLU A 26 13.921 -0.551 14.618 1.00 51.55 H new ATOM 0 HB2 GLU A 26 16.147 -0.738 15.790 1.00 23.33 H new ATOM 0 HB3 GLU A 26 16.685 -1.819 14.519 1.00 23.33 H new ATOM 0 HG2 GLU A 26 16.647 -0.112 12.878 1.00 11.13 H new ATOM 0 HG3 GLU A 26 15.632 0.933 13.852 1.00 11.13 H new ATOM 388 N GLN A 27 15.040 -3.070 12.779 1.00 43.14 N ATOM 389 CA GLN A 27 14.973 -3.668 11.451 1.00 70.43 C ATOM 390 C GLN A 27 13.526 -3.901 11.031 1.00 74.33 C ATOM 391 O GLN A 27 13.188 -3.802 9.851 1.00 70.11 O ATOM 392 CB GLN A 27 15.743 -4.990 11.425 1.00 60.33 C ATOM 393 CG GLN A 27 17.153 -4.884 11.983 1.00 35.01 C ATOM 394 CD GLN A 27 17.864 -3.623 11.537 1.00 64.11 C ATOM 395 OE1 GLN A 27 17.857 -2.610 12.238 1.00 33.13 O ATOM 396 NE2 GLN A 27 18.484 -3.676 10.364 1.00 31.11 N ATOM 0 H GLN A 27 15.592 -3.600 13.453 1.00 43.14 H new ATOM 0 HA GLN A 27 15.430 -2.975 10.745 1.00 70.43 H new ATOM 0 HB2 GLN A 27 15.190 -5.734 11.998 1.00 60.33 H new ATOM 0 HB3 GLN A 27 15.794 -5.351 10.398 1.00 60.33 H new ATOM 0 HG2 GLN A 27 17.111 -4.907 13.072 1.00 35.01 H new ATOM 0 HG3 GLN A 27 17.731 -5.753 11.668 1.00 35.01 H new ATOM 0 HE21 GLN A 27 18.465 -4.536 9.815 1.00 31.11 H new ATOM 0 HE22 GLN A 27 18.980 -2.857 10.012 1.00 31.11 H new ATOM 405 N LYS A 28 12.675 -4.211 12.004 1.00 33.40 N ATOM 406 CA LYS A 28 11.263 -4.457 11.736 1.00 0.31 C ATOM 407 C LYS A 28 10.532 -3.153 11.433 1.00 73.13 C ATOM 408 O LYS A 28 9.491 -3.154 10.778 1.00 33.23 O ATOM 409 CB LYS A 28 10.610 -5.154 12.931 1.00 10.45 C ATOM 410 CG LYS A 28 11.196 -6.523 13.231 1.00 2.22 C ATOM 411 CD LYS A 28 10.960 -6.925 14.678 1.00 53.25 C ATOM 412 CE LYS A 28 10.949 -8.439 14.839 1.00 14.30 C ATOM 413 NZ LYS A 28 9.566 -8.990 14.804 1.00 1.02 N ATOM 0 H LYS A 28 12.939 -4.298 12.985 1.00 33.40 H new ATOM 0 HA LYS A 28 11.192 -5.105 10.862 1.00 0.31 H new ATOM 0 HB2 LYS A 28 10.716 -4.522 13.812 1.00 10.45 H new ATOM 0 HB3 LYS A 28 9.542 -5.259 12.741 1.00 10.45 H new ATOM 0 HG2 LYS A 28 10.749 -7.264 12.569 1.00 2.22 H new ATOM 0 HG3 LYS A 28 12.266 -6.515 13.024 1.00 2.22 H new ATOM 0 HD2 LYS A 28 11.739 -6.496 15.308 1.00 53.25 H new ATOM 0 HD3 LYS A 28 10.011 -6.514 15.021 1.00 53.25 H new ATOM 0 HE2 LYS A 28 11.541 -8.893 14.044 1.00 14.30 H new ATOM 0 HE3 LYS A 28 11.423 -8.707 15.783 1.00 14.30 H new ATOM 0 HZ1 LYS A 28 9.601 -10.023 14.917 1.00 1.02 H new ATOM 0 HZ2 LYS A 28 9.008 -8.576 15.578 1.00 1.02 H new ATOM 0 HZ3 LYS A 28 9.122 -8.756 13.893 1.00 1.02 H new ATOM 427 N GLN A 29 11.085 -2.044 11.913 1.00 54.00 N ATOM 428 CA GLN A 29 10.485 -0.733 11.692 1.00 31.22 C ATOM 429 C GLN A 29 10.983 -0.120 10.387 1.00 50.15 C ATOM 430 O GLN A 29 10.251 0.607 9.714 1.00 72.44 O ATOM 431 CB GLN A 29 10.800 0.199 12.862 1.00 30.00 C ATOM 432 CG GLN A 29 10.074 -0.167 14.146 1.00 61.43 C ATOM 433 CD GLN A 29 8.687 0.439 14.224 1.00 52.42 C ATOM 434 OE1 GLN A 29 8.359 1.367 13.484 1.00 3.31 O ATOM 435 NE2 GLN A 29 7.862 -0.082 15.126 1.00 52.22 N ATOM 0 H GLN A 29 11.947 -2.027 12.457 1.00 54.00 H new ATOM 0 HA GLN A 29 9.405 -0.862 11.622 1.00 31.22 H new ATOM 0 HB2 GLN A 29 11.874 0.187 13.046 1.00 30.00 H new ATOM 0 HB3 GLN A 29 10.536 1.219 12.584 1.00 30.00 H new ATOM 0 HG2 GLN A 29 9.997 -1.252 14.219 1.00 61.43 H new ATOM 0 HG3 GLN A 29 10.662 0.169 15.000 1.00 61.43 H new ATOM 0 HE21 GLN A 29 8.175 -0.851 15.719 1.00 52.22 H new ATOM 0 HE22 GLN A 29 6.916 0.287 15.225 1.00 52.22 H new ATOM 444 N ILE A 30 12.230 -0.416 10.038 1.00 2.02 N ATOM 445 CA ILE A 30 12.824 0.106 8.814 1.00 13.22 C ATOM 446 C ILE A 30 12.696 -0.895 7.670 1.00 11.13 C ATOM 447 O ILE A 30 13.460 -0.850 6.705 1.00 22.43 O ATOM 448 CB ILE A 30 14.311 0.454 9.014 1.00 43.52 C ATOM 449 CG1 ILE A 30 15.106 -0.800 9.383 1.00 24.21 C ATOM 450 CG2 ILE A 30 14.466 1.520 10.089 1.00 14.42 C ATOM 451 CD1 ILE A 30 15.870 -1.394 8.221 1.00 63.02 C ATOM 0 H ILE A 30 12.849 -1.014 10.585 1.00 2.02 H new ATOM 0 HA ILE A 30 12.278 1.015 8.561 1.00 13.22 H new ATOM 0 HB ILE A 30 14.705 0.849 8.078 1.00 43.52 H new ATOM 0 HG12 ILE A 30 15.807 -0.554 10.181 1.00 24.21 H new ATOM 0 HG13 ILE A 30 14.422 -1.550 9.779 1.00 24.21 H new ATOM 0 HG21 ILE A 30 15.522 1.755 10.219 1.00 14.42 H new ATOM 0 HG22 ILE A 30 13.928 2.420 9.790 1.00 14.42 H new ATOM 0 HG23 ILE A 30 14.059 1.150 11.030 1.00 14.42 H new ATOM 0 HD11 ILE A 30 16.410 -2.280 8.555 1.00 63.02 H new ATOM 0 HD12 ILE A 30 15.172 -1.671 7.431 1.00 63.02 H new ATOM 0 HD13 ILE A 30 16.579 -0.660 7.838 1.00 63.02 H new ATOM 463 N LEU A 31 11.727 -1.794 7.785 1.00 64.14 N ATOM 464 CA LEU A 31 11.497 -2.806 6.759 1.00 21.12 C ATOM 465 C LEU A 31 10.433 -2.346 5.768 1.00 14.43 C ATOM 466 O LEU A 31 9.575 -1.528 6.099 1.00 1.54 O ATOM 467 CB LEU A 31 11.073 -4.128 7.403 1.00 41.11 C ATOM 468 CG LEU A 31 11.609 -5.399 6.745 1.00 20.21 C ATOM 469 CD1 LEU A 31 11.697 -6.529 7.758 1.00 40.33 C ATOM 470 CD2 LEU A 31 10.731 -5.800 5.568 1.00 12.21 C ATOM 0 H LEU A 31 11.087 -1.844 8.578 1.00 64.14 H new ATOM 0 HA LEU A 31 12.431 -2.956 6.217 1.00 21.12 H new ATOM 0 HB2 LEU A 31 11.393 -4.120 8.445 1.00 41.11 H new ATOM 0 HB3 LEU A 31 9.984 -4.175 7.404 1.00 41.11 H new ATOM 0 HG LEU A 31 12.613 -5.197 6.371 1.00 20.21 H new ATOM 0 HD11 LEU A 31 12.081 -7.425 7.271 1.00 40.33 H new ATOM 0 HD12 LEU A 31 12.368 -6.241 8.567 1.00 40.33 H new ATOM 0 HD13 LEU A 31 10.706 -6.732 8.163 1.00 40.33 H new ATOM 0 HD21 LEU A 31 11.127 -6.707 5.111 1.00 12.21 H new ATOM 0 HD22 LEU A 31 9.715 -5.984 5.918 1.00 12.21 H new ATOM 0 HD23 LEU A 31 10.721 -4.997 4.831 1.00 12.21 H new ATOM 482 N SER A 32 10.494 -2.878 4.552 1.00 11.55 N ATOM 483 CA SER A 32 9.538 -2.521 3.511 1.00 52.24 C ATOM 484 C SER A 32 9.513 -3.576 2.410 1.00 35.45 C ATOM 485 O SER A 32 10.499 -4.275 2.182 1.00 30.51 O ATOM 486 CB SER A 32 9.884 -1.154 2.918 1.00 52.12 C ATOM 487 OG SER A 32 9.548 -1.096 1.542 1.00 54.11 O ATOM 0 H SER A 32 11.196 -3.559 4.263 1.00 11.55 H new ATOM 0 HA SER A 32 8.548 -2.472 3.964 1.00 52.24 H new ATOM 0 HB2 SER A 32 9.350 -0.373 3.459 1.00 52.12 H new ATOM 0 HB3 SER A 32 10.949 -0.958 3.044 1.00 52.12 H new ATOM 0 HG SER A 32 9.778 -0.212 1.186 1.00 54.11 H new ATOM 493 N GLY A 33 8.376 -3.683 1.728 1.00 1.31 N ATOM 494 CA GLY A 33 8.243 -4.655 0.657 1.00 55.30 C ATOM 495 C GLY A 33 9.238 -4.424 -0.463 1.00 2.44 C ATOM 496 O GLY A 33 9.737 -5.374 -1.067 1.00 22.34 O ATOM 0 H GLY A 33 7.546 -3.115 1.897 1.00 1.31 H new ATOM 0 HA2 GLY A 33 8.382 -5.658 1.061 1.00 55.30 H new ATOM 0 HA3 GLY A 33 7.231 -4.611 0.254 1.00 55.30 H new ATOM 500 N THR A 34 9.529 -3.157 -0.743 1.00 51.35 N ATOM 501 CA THR A 34 10.468 -2.803 -1.799 1.00 3.10 C ATOM 502 C THR A 34 11.873 -2.607 -1.242 1.00 64.01 C ATOM 503 O THR A 34 12.606 -1.717 -1.676 1.00 73.14 O ATOM 504 CB THR A 34 10.033 -1.520 -2.530 1.00 42.35 C ATOM 505 OG1 THR A 34 10.196 -0.386 -1.670 1.00 2.24 O ATOM 506 CG2 THR A 34 8.583 -1.617 -2.979 1.00 32.33 C ATOM 0 H THR A 34 9.127 -2.359 -0.252 1.00 51.35 H new ATOM 0 HA THR A 34 10.474 -3.631 -2.508 1.00 3.10 H new ATOM 0 HB THR A 34 10.663 -1.401 -3.412 1.00 42.35 H new ATOM 0 HG1 THR A 34 9.918 0.426 -2.143 1.00 2.24 H new ATOM 0 HG21 THR A 34 8.299 -0.699 -3.493 1.00 32.33 H new ATOM 0 HG22 THR A 34 8.468 -2.463 -3.657 1.00 32.33 H new ATOM 0 HG23 THR A 34 7.942 -1.759 -2.109 1.00 32.33 H new ATOM 514 N THR A 35 12.245 -3.443 -0.278 1.00 44.01 N ATOM 515 CA THR A 35 13.563 -3.362 0.339 1.00 42.43 C ATOM 516 C THR A 35 14.287 -4.701 0.270 1.00 0.31 C ATOM 517 O THR A 35 13.953 -5.636 0.997 1.00 42.14 O ATOM 518 CB THR A 35 13.468 -2.917 1.810 1.00 23.32 C ATOM 519 OG1 THR A 35 12.856 -1.625 1.893 1.00 14.23 O ATOM 520 CG2 THR A 35 14.847 -2.873 2.453 1.00 52.31 C ATOM 0 H THR A 35 11.651 -4.185 0.093 1.00 44.01 H new ATOM 0 HA THR A 35 14.129 -2.618 -0.222 1.00 42.43 H new ATOM 0 HB THR A 35 12.857 -3.643 2.347 1.00 23.32 H new ATOM 0 HG1 THR A 35 13.077 -1.213 2.754 1.00 14.23 H new ATOM 0 HG21 THR A 35 14.754 -2.556 3.492 1.00 52.31 H new ATOM 0 HG22 THR A 35 15.298 -3.865 2.415 1.00 52.31 H new ATOM 0 HG23 THR A 35 15.478 -2.167 1.913 1.00 52.31 H new ATOM 528 N ASN A 36 15.280 -4.787 -0.608 1.00 22.34 N ATOM 529 CA ASN A 36 16.053 -6.014 -0.772 1.00 3.42 C ATOM 530 C ASN A 36 16.609 -6.489 0.567 1.00 24.22 C ATOM 531 O ASN A 36 17.562 -5.914 1.094 1.00 54.35 O ATOM 532 CB ASN A 36 17.197 -5.794 -1.763 1.00 23.01 C ATOM 533 CG ASN A 36 17.799 -7.097 -2.251 1.00 71.14 C ATOM 534 OD1 ASN A 36 17.417 -8.177 -1.800 1.00 42.21 O ATOM 535 ND2 ASN A 36 18.744 -7.001 -3.179 1.00 21.54 N ATOM 0 H ASN A 36 15.569 -4.022 -1.218 1.00 22.34 H new ATOM 0 HA ASN A 36 15.387 -6.783 -1.163 1.00 3.42 H new ATOM 0 HB2 ASN A 36 16.830 -5.225 -2.617 1.00 23.01 H new ATOM 0 HB3 ASN A 36 17.974 -5.193 -1.289 1.00 23.01 H new ATOM 0 HD21 ASN A 36 19.185 -7.844 -3.547 1.00 21.54 H new ATOM 0 HD22 ASN A 36 19.029 -6.084 -3.524 1.00 21.54 H new ATOM 542 N LEU A 37 16.008 -7.541 1.112 1.00 42.04 N ATOM 543 CA LEU A 37 16.443 -8.094 2.389 1.00 41.12 C ATOM 544 C LEU A 37 17.828 -8.722 2.268 1.00 34.43 C ATOM 545 O LEU A 37 18.467 -9.038 3.270 1.00 41.43 O ATOM 546 CB LEU A 37 15.439 -9.139 2.884 1.00 32.32 C ATOM 547 CG LEU A 37 13.965 -8.746 2.797 1.00 23.33 C ATOM 548 CD1 LEU A 37 13.074 -9.947 3.075 1.00 44.55 C ATOM 549 CD2 LEU A 37 13.656 -7.614 3.767 1.00 73.30 C ATOM 0 H LEU A 37 15.218 -8.028 0.689 1.00 42.04 H new ATOM 0 HA LEU A 37 16.496 -7.278 3.110 1.00 41.12 H new ATOM 0 HB2 LEU A 37 15.585 -10.054 2.310 1.00 32.32 H new ATOM 0 HB3 LEU A 37 15.671 -9.373 3.923 1.00 32.32 H new ATOM 0 HG LEU A 37 13.762 -8.396 1.785 1.00 23.33 H new ATOM 0 HD11 LEU A 37 12.028 -9.647 3.009 1.00 44.55 H new ATOM 0 HD12 LEU A 37 13.275 -10.727 2.341 1.00 44.55 H new ATOM 0 HD13 LEU A 37 13.279 -10.328 4.075 1.00 44.55 H new ATOM 0 HD21 LEU A 37 12.602 -7.347 3.691 1.00 73.30 H new ATOM 0 HD22 LEU A 37 13.876 -7.936 4.785 1.00 73.30 H new ATOM 0 HD23 LEU A 37 14.268 -6.746 3.521 1.00 73.30 H new ATOM 561 N ALA A 38 18.286 -8.897 1.032 1.00 11.43 N ATOM 562 CA ALA A 38 19.596 -9.482 0.779 1.00 64.01 C ATOM 563 C ALA A 38 20.692 -8.424 0.843 1.00 74.52 C ATOM 564 O ALA A 38 21.731 -8.628 1.471 1.00 11.43 O ATOM 565 CB ALA A 38 19.612 -10.178 -0.574 1.00 72.25 C ATOM 0 H ALA A 38 17.768 -8.642 0.191 1.00 11.43 H new ATOM 0 HA ALA A 38 19.792 -10.219 1.557 1.00 64.01 H new ATOM 0 HB1 ALA A 38 20.597 -10.610 -0.749 1.00 72.25 H new ATOM 0 HB2 ALA A 38 18.862 -10.969 -0.585 1.00 72.25 H new ATOM 0 HB3 ALA A 38 19.389 -9.454 -1.358 1.00 72.25 H new ATOM 571 N LYS A 39 20.453 -7.292 0.189 1.00 24.43 N ATOM 572 CA LYS A 39 21.419 -6.199 0.172 1.00 74.40 C ATOM 573 C LYS A 39 21.259 -5.312 1.402 1.00 20.11 C ATOM 574 O LYS A 39 22.225 -5.044 2.117 1.00 33.41 O ATOM 575 CB LYS A 39 21.251 -5.363 -1.098 1.00 32.01 C ATOM 576 CG LYS A 39 22.531 -4.685 -1.555 1.00 13.31 C ATOM 577 CD LYS A 39 22.477 -4.323 -3.030 1.00 0.14 C ATOM 578 CE LYS A 39 21.514 -3.174 -3.285 1.00 0.24 C ATOM 579 NZ LYS A 39 22.090 -1.864 -2.873 1.00 32.20 N ATOM 0 H LYS A 39 19.598 -7.107 -0.336 1.00 24.43 H new ATOM 0 HA LYS A 39 22.419 -6.631 0.186 1.00 74.40 H new ATOM 0 HB2 LYS A 39 20.884 -6.005 -1.899 1.00 32.01 H new ATOM 0 HB3 LYS A 39 20.489 -4.603 -0.924 1.00 32.01 H new ATOM 0 HG2 LYS A 39 22.697 -3.784 -0.965 1.00 13.31 H new ATOM 0 HG3 LYS A 39 23.378 -5.346 -1.373 1.00 13.31 H new ATOM 0 HD2 LYS A 39 23.474 -4.048 -3.375 1.00 0.14 H new ATOM 0 HD3 LYS A 39 22.168 -5.194 -3.609 1.00 0.14 H new ATOM 0 HE2 LYS A 39 21.260 -3.142 -4.345 1.00 0.24 H new ATOM 0 HE3 LYS A 39 20.587 -3.350 -2.740 1.00 0.24 H new ATOM 0 HZ1 LYS A 39 21.423 -1.102 -3.110 1.00 32.20 H new ATOM 0 HZ2 LYS A 39 22.262 -1.867 -1.847 1.00 32.20 H new ATOM 0 HZ3 LYS A 39 22.988 -1.707 -3.374 1.00 32.20 H new ATOM 593 N ASP A 40 20.033 -4.859 1.644 1.00 63.34 N ATOM 594 CA ASP A 40 19.747 -4.004 2.790 1.00 12.34 C ATOM 595 C ASP A 40 20.307 -4.608 4.073 1.00 41.35 C ATOM 596 O ASP A 40 21.189 -4.030 4.710 1.00 11.14 O ATOM 597 CB ASP A 40 18.238 -3.790 2.929 1.00 60.32 C ATOM 598 CG ASP A 40 17.900 -2.479 3.610 1.00 10.42 C ATOM 599 OD1 ASP A 40 17.816 -2.462 4.855 1.00 43.03 O ATOM 600 OD2 ASP A 40 17.719 -1.469 2.898 1.00 22.23 O ATOM 0 H ASP A 40 19.222 -5.070 1.062 1.00 63.34 H new ATOM 0 HA ASP A 40 20.230 -3.041 2.623 1.00 12.34 H new ATOM 0 HB2 ASP A 40 17.778 -3.812 1.941 1.00 60.32 H new ATOM 0 HB3 ASP A 40 17.808 -4.614 3.499 1.00 60.32 H new ATOM 605 N PHE A 41 19.791 -5.775 4.447 1.00 51.23 N ATOM 606 CA PHE A 41 20.239 -6.457 5.656 1.00 55.34 C ATOM 607 C PHE A 41 21.563 -7.175 5.415 1.00 13.42 C ATOM 608 O PHE A 41 22.135 -7.767 6.330 1.00 4.32 O ATOM 609 CB PHE A 41 19.181 -7.457 6.124 1.00 32.53 C ATOM 610 CG PHE A 41 17.910 -6.809 6.595 1.00 72.32 C ATOM 611 CD1 PHE A 41 17.940 -5.812 7.556 1.00 12.33 C ATOM 612 CD2 PHE A 41 16.685 -7.196 6.075 1.00 73.13 C ATOM 613 CE1 PHE A 41 16.771 -5.215 7.990 1.00 51.15 C ATOM 614 CE2 PHE A 41 15.513 -6.603 6.505 1.00 63.51 C ATOM 615 CZ PHE A 41 15.557 -5.610 7.464 1.00 32.44 C ATOM 0 H PHE A 41 19.063 -6.268 3.930 1.00 51.23 H new ATOM 0 HA PHE A 41 20.388 -5.707 6.433 1.00 55.34 H new ATOM 0 HB2 PHE A 41 18.950 -8.139 5.306 1.00 32.53 H new ATOM 0 HB3 PHE A 41 19.594 -8.059 6.933 1.00 32.53 H new ATOM 0 HD1 PHE A 41 18.886 -5.498 7.971 1.00 12.33 H new ATOM 0 HD2 PHE A 41 16.646 -7.971 5.324 1.00 73.13 H new ATOM 0 HE1 PHE A 41 16.807 -4.439 8.741 1.00 51.15 H new ATOM 0 HE2 PHE A 41 14.565 -6.915 6.092 1.00 63.51 H new ATOM 0 HZ PHE A 41 14.643 -5.143 7.802 1.00 32.44 H new ATOM 625 N ASN A 42 22.044 -7.118 4.178 1.00 62.01 N ATOM 626 CA ASN A 42 23.301 -7.765 3.816 1.00 43.41 C ATOM 627 C ASN A 42 23.304 -9.229 4.247 1.00 32.20 C ATOM 628 O ASN A 42 24.285 -9.719 4.808 1.00 14.03 O ATOM 629 CB ASN A 42 24.480 -7.030 4.456 1.00 74.50 C ATOM 630 CG ASN A 42 25.751 -7.151 3.638 1.00 43.04 C ATOM 631 OD1 ASN A 42 25.759 -7.767 2.573 1.00 64.32 O ATOM 632 ND2 ASN A 42 26.832 -6.563 4.135 1.00 71.31 N ATOM 0 H ASN A 42 21.583 -6.631 3.409 1.00 62.01 H new ATOM 0 HA ASN A 42 23.402 -7.724 2.731 1.00 43.41 H new ATOM 0 HB2 ASN A 42 24.227 -5.977 4.574 1.00 74.50 H new ATOM 0 HB3 ASN A 42 24.655 -7.430 5.455 1.00 74.50 H new ATOM 0 HD21 ASN A 42 27.717 -6.611 3.630 1.00 71.31 H new ATOM 0 HD22 ASN A 42 26.778 -6.063 5.022 1.00 71.31 H new ATOM 639 N LEU A 43 22.201 -9.919 3.983 1.00 0.14 N ATOM 640 CA LEU A 43 22.076 -11.328 4.344 1.00 4.12 C ATOM 641 C LEU A 43 23.195 -12.152 3.716 1.00 55.50 C ATOM 642 O LEU A 43 23.655 -11.854 2.613 1.00 12.51 O ATOM 643 CB LEU A 43 20.717 -11.870 3.898 1.00 2.23 C ATOM 644 CG LEU A 43 19.527 -11.511 4.788 1.00 32.43 C ATOM 645 CD1 LEU A 43 18.233 -12.044 4.192 1.00 22.23 C ATOM 646 CD2 LEU A 43 19.731 -12.053 6.196 1.00 61.35 C ATOM 0 H LEU A 43 21.380 -9.527 3.521 1.00 0.14 H new ATOM 0 HA LEU A 43 22.155 -11.408 5.428 1.00 4.12 H new ATOM 0 HB2 LEU A 43 20.515 -11.505 2.891 1.00 2.23 H new ATOM 0 HB3 LEU A 43 20.784 -12.956 3.836 1.00 2.23 H new ATOM 0 HG LEU A 43 19.456 -10.425 4.845 1.00 32.43 H new ATOM 0 HD11 LEU A 43 17.398 -11.778 4.840 1.00 22.23 H new ATOM 0 HD12 LEU A 43 18.080 -11.607 3.205 1.00 22.23 H new ATOM 0 HD13 LEU A 43 18.293 -13.129 4.103 1.00 22.23 H new ATOM 0 HD21 LEU A 43 18.874 -11.788 6.816 1.00 61.35 H new ATOM 0 HD22 LEU A 43 19.829 -13.138 6.158 1.00 61.35 H new ATOM 0 HD23 LEU A 43 20.636 -11.622 6.624 1.00 61.35 H new ATOM 658 N ASP A 44 23.628 -13.190 4.423 1.00 13.11 N ATOM 659 CA ASP A 44 24.690 -14.060 3.934 1.00 72.53 C ATOM 660 C ASP A 44 24.126 -15.154 3.033 1.00 75.24 C ATOM 661 O ASP A 44 22.955 -15.520 3.142 1.00 40.44 O ATOM 662 CB ASP A 44 25.445 -14.688 5.106 1.00 51.15 C ATOM 663 CG ASP A 44 26.826 -15.175 4.712 1.00 21.20 C ATOM 664 OD1 ASP A 44 27.282 -14.827 3.603 1.00 63.34 O ATOM 665 OD2 ASP A 44 27.450 -15.903 5.512 1.00 30.42 O ATOM 0 H ASP A 44 23.259 -13.449 5.338 1.00 13.11 H new ATOM 0 HA ASP A 44 25.381 -13.453 3.349 1.00 72.53 H new ATOM 0 HB2 ASP A 44 25.536 -13.957 5.909 1.00 51.15 H new ATOM 0 HB3 ASP A 44 24.867 -15.524 5.500 1.00 51.15 H new ATOM 670 N SER A 45 24.965 -15.671 2.141 1.00 65.32 N ATOM 671 CA SER A 45 24.549 -16.720 1.217 1.00 60.12 C ATOM 672 C SER A 45 23.947 -17.900 1.971 1.00 31.24 C ATOM 673 O SER A 45 23.115 -18.635 1.436 1.00 40.22 O ATOM 674 CB SER A 45 25.737 -17.189 0.376 1.00 63.42 C ATOM 675 OG SER A 45 26.002 -16.285 -0.683 1.00 12.42 O ATOM 0 H SER A 45 25.937 -15.380 2.039 1.00 65.32 H new ATOM 0 HA SER A 45 23.787 -16.307 0.556 1.00 60.12 H new ATOM 0 HB2 SER A 45 26.620 -17.282 1.008 1.00 63.42 H new ATOM 0 HB3 SER A 45 25.530 -18.179 -0.030 1.00 63.42 H new ATOM 0 HG SER A 45 26.767 -16.607 -1.204 1.00 12.42 H new ATOM 681 N LEU A 46 24.373 -18.078 3.217 1.00 71.33 N ATOM 682 CA LEU A 46 23.876 -19.170 4.047 1.00 25.25 C ATOM 683 C LEU A 46 22.433 -18.918 4.474 1.00 62.14 C ATOM 684 O LEU A 46 21.600 -19.823 4.444 1.00 62.33 O ATOM 685 CB LEU A 46 24.762 -19.341 5.283 1.00 13.24 C ATOM 686 CG LEU A 46 26.024 -20.183 5.092 1.00 31.11 C ATOM 687 CD1 LEU A 46 26.910 -19.580 4.013 1.00 42.14 C ATOM 688 CD2 LEU A 46 26.787 -20.305 6.403 1.00 75.23 C ATOM 0 H LEU A 46 25.061 -17.480 3.675 1.00 71.33 H new ATOM 0 HA LEU A 46 23.906 -20.085 3.455 1.00 25.25 H new ATOM 0 HB2 LEU A 46 25.059 -18.352 5.633 1.00 13.24 H new ATOM 0 HB3 LEU A 46 24.164 -19.793 6.074 1.00 13.24 H new ATOM 0 HG LEU A 46 25.726 -21.182 4.773 1.00 31.11 H new ATOM 0 HD11 LEU A 46 27.803 -20.193 3.891 1.00 42.14 H new ATOM 0 HD12 LEU A 46 26.363 -19.545 3.071 1.00 42.14 H new ATOM 0 HD13 LEU A 46 27.200 -18.570 4.303 1.00 42.14 H new ATOM 0 HD21 LEU A 46 27.682 -20.907 6.248 1.00 75.23 H new ATOM 0 HD22 LEU A 46 27.073 -19.313 6.751 1.00 75.23 H new ATOM 0 HD23 LEU A 46 26.153 -20.783 7.150 1.00 75.23 H new ATOM 700 N ASP A 47 22.146 -17.682 4.867 1.00 2.12 N ATOM 701 CA ASP A 47 20.802 -17.310 5.296 1.00 55.22 C ATOM 702 C ASP A 47 19.815 -17.409 4.137 1.00 62.23 C ATOM 703 O ASP A 47 18.741 -17.994 4.271 1.00 64.30 O ATOM 704 CB ASP A 47 20.801 -15.889 5.864 1.00 35.55 C ATOM 705 CG ASP A 47 20.264 -15.833 7.281 1.00 1.24 C ATOM 706 OD1 ASP A 47 19.336 -16.607 7.594 1.00 73.34 O ATOM 707 OD2 ASP A 47 20.772 -15.015 8.076 1.00 22.24 O ATOM 0 H ASP A 47 22.825 -16.921 4.898 1.00 2.12 H new ATOM 0 HA ASP A 47 20.490 -18.005 6.075 1.00 55.22 H new ATOM 0 HB2 ASP A 47 21.817 -15.493 5.847 1.00 35.55 H new ATOM 0 HB3 ASP A 47 20.198 -15.245 5.224 1.00 35.55 H new ATOM 712 N PHE A 48 20.186 -16.830 3.000 1.00 64.30 N ATOM 713 CA PHE A 48 19.332 -16.851 1.817 1.00 64.44 C ATOM 714 C PHE A 48 18.889 -18.275 1.492 1.00 11.41 C ATOM 715 O PHE A 48 17.703 -18.539 1.300 1.00 74.22 O ATOM 716 CB PHE A 48 20.068 -16.248 0.620 1.00 22.22 C ATOM 717 CG PHE A 48 19.150 -15.761 -0.465 1.00 52.44 C ATOM 718 CD1 PHE A 48 18.564 -14.508 -0.385 1.00 63.45 C ATOM 719 CD2 PHE A 48 18.872 -16.558 -1.564 1.00 12.05 C ATOM 720 CE1 PHE A 48 17.719 -14.057 -1.382 1.00 14.24 C ATOM 721 CE2 PHE A 48 18.029 -16.112 -2.564 1.00 10.41 C ATOM 722 CZ PHE A 48 17.450 -14.861 -2.473 1.00 43.02 C ATOM 0 H PHE A 48 21.072 -16.341 2.872 1.00 64.30 H new ATOM 0 HA PHE A 48 18.446 -16.253 2.028 1.00 64.44 H new ATOM 0 HB2 PHE A 48 20.684 -15.417 0.964 1.00 22.22 H new ATOM 0 HB3 PHE A 48 20.744 -16.996 0.205 1.00 22.22 H new ATOM 0 HD1 PHE A 48 18.770 -13.876 0.466 1.00 63.45 H new ATOM 0 HD2 PHE A 48 19.319 -17.538 -1.640 1.00 12.05 H new ATOM 0 HE1 PHE A 48 17.270 -13.078 -1.308 1.00 14.24 H new ATOM 0 HE2 PHE A 48 17.823 -16.742 -3.417 1.00 10.41 H new ATOM 0 HZ PHE A 48 16.789 -14.512 -3.253 1.00 43.02 H new ATOM 732 N VAL A 49 19.853 -19.188 1.429 1.00 31.14 N ATOM 733 CA VAL A 49 19.564 -20.585 1.127 1.00 4.02 C ATOM 734 C VAL A 49 18.476 -21.132 2.044 1.00 75.11 C ATOM 735 O VAL A 49 17.492 -21.710 1.581 1.00 13.45 O ATOM 736 CB VAL A 49 20.824 -21.461 1.265 1.00 23.20 C ATOM 737 CG1 VAL A 49 20.483 -22.926 1.036 1.00 42.05 C ATOM 738 CG2 VAL A 49 21.902 -20.998 0.297 1.00 40.22 C ATOM 0 H VAL A 49 20.841 -18.985 1.583 1.00 31.14 H new ATOM 0 HA VAL A 49 19.217 -20.620 0.094 1.00 4.02 H new ATOM 0 HB VAL A 49 21.210 -21.357 2.279 1.00 23.20 H new ATOM 0 HG11 VAL A 49 21.385 -23.530 1.137 1.00 42.05 H new ATOM 0 HG12 VAL A 49 19.746 -23.248 1.772 1.00 42.05 H new ATOM 0 HG13 VAL A 49 20.073 -23.052 0.034 1.00 42.05 H new ATOM 0 HG21 VAL A 49 22.785 -21.627 0.408 1.00 40.22 H new ATOM 0 HG22 VAL A 49 21.530 -21.072 -0.725 1.00 40.22 H new ATOM 0 HG23 VAL A 49 22.165 -19.963 0.513 1.00 40.22 H new ATOM 748 N ASP A 50 18.658 -20.945 3.347 1.00 22.50 N ATOM 749 CA ASP A 50 17.690 -21.418 4.330 1.00 13.12 C ATOM 750 C ASP A 50 16.339 -20.735 4.135 1.00 71.13 C ATOM 751 O ASP A 50 15.292 -21.319 4.413 1.00 54.43 O ATOM 752 CB ASP A 50 18.205 -21.164 5.747 1.00 0.42 C ATOM 753 CG ASP A 50 19.071 -22.298 6.261 1.00 65.22 C ATOM 754 OD1 ASP A 50 18.632 -23.465 6.177 1.00 60.22 O ATOM 755 OD2 ASP A 50 20.186 -22.019 6.746 1.00 24.13 O ATOM 0 H ASP A 50 19.467 -20.469 3.747 1.00 22.50 H new ATOM 0 HA ASP A 50 17.558 -22.490 4.187 1.00 13.12 H new ATOM 0 HB2 ASP A 50 18.779 -20.237 5.761 1.00 0.42 H new ATOM 0 HB3 ASP A 50 17.358 -21.025 6.419 1.00 0.42 H new ATOM 760 N LEU A 51 16.373 -19.496 3.659 1.00 21.14 N ATOM 761 CA LEU A 51 15.152 -18.732 3.428 1.00 73.32 C ATOM 762 C LEU A 51 14.350 -19.322 2.273 1.00 12.04 C ATOM 763 O LEU A 51 13.190 -19.702 2.440 1.00 41.05 O ATOM 764 CB LEU A 51 15.490 -17.269 3.134 1.00 42.44 C ATOM 765 CG LEU A 51 15.427 -16.313 4.326 1.00 31.31 C ATOM 766 CD1 LEU A 51 16.379 -15.144 4.124 1.00 12.25 C ATOM 767 CD2 LEU A 51 14.004 -15.814 4.535 1.00 62.45 C ATOM 0 H LEU A 51 17.232 -18.999 3.425 1.00 21.14 H new ATOM 0 HA LEU A 51 14.544 -18.784 4.332 1.00 73.32 H new ATOM 0 HB2 LEU A 51 16.494 -17.227 2.712 1.00 42.44 H new ATOM 0 HB3 LEU A 51 14.807 -16.906 2.366 1.00 42.44 H new ATOM 0 HG LEU A 51 15.736 -16.856 5.219 1.00 31.31 H new ATOM 0 HD11 LEU A 51 16.320 -14.475 4.982 1.00 12.25 H new ATOM 0 HD12 LEU A 51 17.398 -15.518 4.024 1.00 12.25 H new ATOM 0 HD13 LEU A 51 16.102 -14.601 3.221 1.00 12.25 H new ATOM 0 HD21 LEU A 51 13.978 -15.135 5.387 1.00 62.45 H new ATOM 0 HD22 LEU A 51 13.668 -15.288 3.641 1.00 62.45 H new ATOM 0 HD23 LEU A 51 13.346 -16.661 4.726 1.00 62.45 H new ATOM 779 N ILE A 52 14.976 -19.399 1.103 1.00 42.41 N ATOM 780 CA ILE A 52 14.321 -19.946 -0.079 1.00 64.52 C ATOM 781 C ILE A 52 13.854 -21.376 0.166 1.00 62.04 C ATOM 782 O ILE A 52 12.777 -21.773 -0.281 1.00 73.21 O ATOM 783 CB ILE A 52 15.257 -19.925 -1.301 1.00 52.01 C ATOM 784 CG1 ILE A 52 16.567 -20.649 -0.981 1.00 60.25 C ATOM 785 CG2 ILE A 52 15.531 -18.492 -1.735 1.00 40.14 C ATOM 786 CD1 ILE A 52 17.594 -20.559 -2.087 1.00 45.42 C ATOM 0 H ILE A 52 15.936 -19.090 0.948 1.00 42.41 H new ATOM 0 HA ILE A 52 13.457 -19.314 -0.284 1.00 64.52 H new ATOM 0 HB ILE A 52 14.767 -20.446 -2.123 1.00 52.01 H new ATOM 0 HG12 ILE A 52 16.991 -20.230 -0.068 1.00 60.25 H new ATOM 0 HG13 ILE A 52 16.353 -21.699 -0.780 1.00 60.25 H new ATOM 0 HG21 ILE A 52 16.194 -18.494 -2.600 1.00 40.14 H new ATOM 0 HG22 ILE A 52 14.592 -18.006 -1.999 1.00 40.14 H new ATOM 0 HG23 ILE A 52 16.003 -17.948 -0.917 1.00 40.14 H new ATOM 0 HD11 ILE A 52 18.496 -21.094 -1.790 1.00 45.42 H new ATOM 0 HD12 ILE A 52 17.190 -21.005 -2.996 1.00 45.42 H new ATOM 0 HD13 ILE A 52 17.838 -19.513 -2.273 1.00 45.42 H new ATOM 798 N MET A 53 14.670 -22.147 0.878 1.00 51.11 N ATOM 799 CA MET A 53 14.337 -23.533 1.185 1.00 32.40 C ATOM 800 C MET A 53 13.162 -23.609 2.154 1.00 13.42 C ATOM 801 O MET A 53 12.271 -24.445 1.999 1.00 74.24 O ATOM 802 CB MET A 53 15.551 -24.251 1.780 1.00 44.13 C ATOM 803 CG MET A 53 16.621 -24.587 0.754 1.00 25.10 C ATOM 804 SD MET A 53 17.257 -26.264 0.938 1.00 72.30 S ATOM 805 CE MET A 53 15.771 -27.222 0.652 1.00 3.12 C ATOM 0 H MET A 53 15.566 -21.835 1.253 1.00 51.11 H new ATOM 0 HA MET A 53 14.051 -24.026 0.256 1.00 32.40 H new ATOM 0 HB2 MET A 53 15.988 -23.624 2.557 1.00 44.13 H new ATOM 0 HB3 MET A 53 15.219 -25.171 2.261 1.00 44.13 H new ATOM 0 HG2 MET A 53 16.209 -24.467 -0.248 1.00 25.10 H new ATOM 0 HG3 MET A 53 17.444 -23.878 0.847 1.00 25.10 H new ATOM 0 HE1 MET A 53 16.040 -28.203 0.261 1.00 3.12 H new ATOM 0 HE2 MET A 53 15.229 -27.342 1.590 1.00 3.12 H new ATOM 0 HE3 MET A 53 15.138 -26.705 -0.069 1.00 3.12 H new ATOM 815 N SER A 54 13.166 -22.732 3.152 1.00 2.33 N ATOM 816 CA SER A 54 12.101 -22.703 4.148 1.00 62.54 C ATOM 817 C SER A 54 10.749 -22.437 3.492 1.00 44.30 C ATOM 818 O SER A 54 9.794 -23.191 3.682 1.00 20.01 O ATOM 819 CB SER A 54 12.388 -21.632 5.203 1.00 71.54 C ATOM 820 OG SER A 54 11.294 -21.484 6.090 1.00 73.12 O ATOM 0 H SER A 54 13.894 -22.032 3.293 1.00 2.33 H new ATOM 0 HA SER A 54 12.065 -23.679 4.632 1.00 62.54 H new ATOM 0 HB2 SER A 54 13.282 -21.901 5.765 1.00 71.54 H new ATOM 0 HB3 SER A 54 12.594 -20.680 4.713 1.00 71.54 H new ATOM 0 HG SER A 54 11.503 -20.795 6.755 1.00 73.12 H new ATOM 826 N LEU A 55 10.677 -21.360 2.718 1.00 14.25 N ATOM 827 CA LEU A 55 9.444 -20.992 2.033 1.00 10.24 C ATOM 828 C LEU A 55 9.073 -22.033 0.981 1.00 75.25 C ATOM 829 O LEU A 55 7.899 -22.349 0.794 1.00 71.11 O ATOM 830 CB LEU A 55 9.592 -19.618 1.376 1.00 41.14 C ATOM 831 CG LEU A 55 9.196 -18.416 2.236 1.00 21.31 C ATOM 832 CD1 LEU A 55 9.625 -17.119 1.569 1.00 72.20 C ATOM 833 CD2 LEU A 55 7.696 -18.417 2.492 1.00 42.13 C ATOM 0 H LEU A 55 11.458 -20.726 2.549 1.00 14.25 H new ATOM 0 HA LEU A 55 8.646 -20.950 2.774 1.00 10.24 H new ATOM 0 HB2 LEU A 55 10.631 -19.494 1.070 1.00 41.14 H new ATOM 0 HB3 LEU A 55 8.988 -19.605 0.468 1.00 41.14 H new ATOM 0 HG LEU A 55 9.708 -18.493 3.195 1.00 21.31 H new ATOM 0 HD11 LEU A 55 9.335 -16.275 2.195 1.00 72.20 H new ATOM 0 HD12 LEU A 55 10.707 -17.118 1.437 1.00 72.20 H new ATOM 0 HD13 LEU A 55 9.141 -17.033 0.596 1.00 72.20 H new ATOM 0 HD21 LEU A 55 7.431 -17.556 3.105 1.00 42.13 H new ATOM 0 HD22 LEU A 55 7.165 -18.363 1.542 1.00 42.13 H new ATOM 0 HD23 LEU A 55 7.416 -19.333 3.013 1.00 42.13 H new ATOM 845 N GLU A 56 10.084 -22.564 0.300 1.00 54.04 N ATOM 846 CA GLU A 56 9.864 -23.570 -0.731 1.00 2.32 C ATOM 847 C GLU A 56 9.100 -24.766 -0.170 1.00 62.44 C ATOM 848 O GLU A 56 8.083 -25.181 -0.725 1.00 54.25 O ATOM 849 CB GLU A 56 11.200 -24.034 -1.316 1.00 1.43 C ATOM 850 CG GLU A 56 11.056 -25.093 -2.396 1.00 42.31 C ATOM 851 CD GLU A 56 12.354 -25.829 -2.668 1.00 5.51 C ATOM 852 OE1 GLU A 56 13.287 -25.710 -1.845 1.00 14.34 O ATOM 853 OE2 GLU A 56 12.438 -26.524 -3.702 1.00 62.11 O ATOM 0 H GLU A 56 11.062 -22.314 0.444 1.00 54.04 H new ATOM 0 HA GLU A 56 9.266 -23.117 -1.522 1.00 2.32 H new ATOM 0 HB2 GLU A 56 11.724 -23.173 -1.731 1.00 1.43 H new ATOM 0 HB3 GLU A 56 11.822 -24.429 -0.512 1.00 1.43 H new ATOM 0 HG2 GLU A 56 10.292 -25.810 -2.097 1.00 42.31 H new ATOM 0 HG3 GLU A 56 10.709 -24.623 -3.316 1.00 42.31 H new ATOM 860 N GLU A 57 9.598 -25.314 0.934 1.00 54.50 N ATOM 861 CA GLU A 57 8.963 -26.463 1.568 1.00 24.33 C ATOM 862 C GLU A 57 7.657 -26.057 2.245 1.00 63.24 C ATOM 863 O GLU A 57 6.709 -26.840 2.311 1.00 51.32 O ATOM 864 CB GLU A 57 9.907 -27.094 2.594 1.00 70.42 C ATOM 865 CG GLU A 57 10.139 -26.227 3.821 1.00 45.51 C ATOM 866 CD GLU A 57 10.985 -26.919 4.872 1.00 41.40 C ATOM 867 OE1 GLU A 57 10.414 -27.664 5.698 1.00 54.52 O ATOM 868 OE2 GLU A 57 12.217 -26.718 4.869 1.00 54.44 O ATOM 0 H GLU A 57 10.438 -24.981 1.407 1.00 54.50 H new ATOM 0 HA GLU A 57 8.739 -27.196 0.793 1.00 24.33 H new ATOM 0 HB2 GLU A 57 9.498 -28.054 2.910 1.00 70.42 H new ATOM 0 HB3 GLU A 57 10.866 -27.297 2.117 1.00 70.42 H new ATOM 0 HG2 GLU A 57 10.627 -25.300 3.519 1.00 45.51 H new ATOM 0 HG3 GLU A 57 9.177 -25.954 4.256 1.00 45.51 H new ATOM 875 N ARG A 58 7.615 -24.828 2.749 1.00 53.32 N ATOM 876 CA ARG A 58 6.427 -24.317 3.423 1.00 13.33 C ATOM 877 C ARG A 58 5.209 -24.394 2.509 1.00 74.53 C ATOM 878 O ARG A 58 4.203 -25.017 2.848 1.00 31.54 O ATOM 879 CB ARG A 58 6.651 -22.872 3.873 1.00 54.15 C ATOM 880 CG ARG A 58 5.459 -22.269 4.598 1.00 74.42 C ATOM 881 CD ARG A 58 5.666 -22.266 6.104 1.00 52.45 C ATOM 882 NE ARG A 58 4.427 -22.538 6.828 1.00 53.44 N ATOM 883 CZ ARG A 58 4.307 -22.427 8.146 1.00 23.30 C ATOM 884 NH1 ARG A 58 5.343 -22.051 8.880 1.00 42.21 N ATOM 885 NH2 ARG A 58 3.145 -22.692 8.731 1.00 23.43 N ATOM 0 H ARG A 58 8.391 -24.167 2.703 1.00 53.32 H new ATOM 0 HA ARG A 58 6.242 -24.938 4.300 1.00 13.33 H new ATOM 0 HB2 ARG A 58 7.521 -22.835 4.529 1.00 54.15 H new ATOM 0 HB3 ARG A 58 6.883 -22.260 3.001 1.00 54.15 H new ATOM 0 HG2 ARG A 58 5.298 -21.249 4.250 1.00 74.42 H new ATOM 0 HG3 ARG A 58 4.560 -22.834 4.354 1.00 74.42 H new ATOM 0 HD2 ARG A 58 6.412 -23.015 6.369 1.00 52.45 H new ATOM 0 HD3 ARG A 58 6.062 -21.299 6.413 1.00 52.45 H new ATOM 0 HE ARG A 58 3.609 -22.829 6.292 1.00 53.44 H new ATOM 0 HH11 ARG A 58 6.237 -21.846 8.433 1.00 42.21 H new ATOM 0 HH12 ARG A 58 5.247 -21.967 9.892 1.00 42.21 H new ATOM 0 HH21 ARG A 58 2.345 -22.981 8.168 1.00 23.43 H new ATOM 0 HH22 ARG A 58 3.052 -22.607 9.743 1.00 23.43 H new ATOM 899 N PHE A 59 5.306 -23.755 1.347 1.00 13.35 N ATOM 900 CA PHE A 59 4.211 -23.749 0.384 1.00 45.43 C ATOM 901 C PHE A 59 4.400 -24.845 -0.662 1.00 63.14 C ATOM 902 O PHE A 59 3.701 -24.879 -1.674 1.00 53.21 O ATOM 903 CB PHE A 59 4.114 -22.386 -0.302 1.00 45.14 C ATOM 904 CG PHE A 59 3.655 -21.286 0.612 1.00 12.43 C ATOM 905 CD1 PHE A 59 4.563 -20.599 1.402 1.00 75.51 C ATOM 906 CD2 PHE A 59 2.315 -20.940 0.683 1.00 71.35 C ATOM 907 CE1 PHE A 59 4.144 -19.586 2.244 1.00 32.52 C ATOM 908 CE2 PHE A 59 1.890 -19.927 1.523 1.00 62.10 C ATOM 909 CZ PHE A 59 2.805 -19.251 2.305 1.00 34.21 C ATOM 0 H PHE A 59 6.132 -23.235 1.050 1.00 13.35 H new ATOM 0 HA PHE A 59 3.285 -23.943 0.925 1.00 45.43 H new ATOM 0 HB2 PHE A 59 5.090 -22.124 -0.711 1.00 45.14 H new ATOM 0 HB3 PHE A 59 3.425 -22.460 -1.143 1.00 45.14 H new ATOM 0 HD1 PHE A 59 5.611 -20.858 1.359 1.00 75.51 H new ATOM 0 HD2 PHE A 59 1.594 -21.467 0.075 1.00 71.35 H new ATOM 0 HE1 PHE A 59 4.862 -19.057 2.853 1.00 32.52 H new ATOM 0 HE2 PHE A 59 0.843 -19.665 1.567 1.00 62.10 H new ATOM 0 HZ PHE A 59 2.475 -18.461 2.964 1.00 34.21 H new ATOM 919 N SER A 60 5.352 -25.738 -0.409 1.00 31.03 N ATOM 920 CA SER A 60 5.638 -26.831 -1.330 1.00 23.01 C ATOM 921 C SER A 60 5.855 -26.308 -2.745 1.00 74.45 C ATOM 922 O SER A 60 5.586 -27.004 -3.726 1.00 64.52 O ATOM 923 CB SER A 60 4.493 -27.847 -1.318 1.00 35.11 C ATOM 924 OG SER A 60 4.059 -28.111 0.004 1.00 74.33 O ATOM 0 H SER A 60 5.938 -25.726 0.426 1.00 31.03 H new ATOM 0 HA SER A 60 6.554 -27.321 -1.000 1.00 23.01 H new ATOM 0 HB2 SER A 60 3.659 -27.467 -1.909 1.00 35.11 H new ATOM 0 HB3 SER A 60 4.820 -28.774 -1.788 1.00 35.11 H new ATOM 0 HG SER A 60 3.326 -28.761 -0.016 1.00 74.33 H new ATOM 930 N LEU A 61 6.343 -25.076 -2.845 1.00 21.40 N ATOM 931 CA LEU A 61 6.597 -24.457 -4.142 1.00 71.22 C ATOM 932 C LEU A 61 7.871 -25.011 -4.769 1.00 54.53 C ATOM 933 O LEU A 61 8.753 -25.507 -4.071 1.00 0.43 O ATOM 934 CB LEU A 61 6.708 -22.939 -3.990 1.00 74.25 C ATOM 935 CG LEU A 61 6.995 -22.156 -5.272 1.00 13.52 C ATOM 936 CD1 LEU A 61 5.887 -22.374 -6.290 1.00 25.20 C ATOM 937 CD2 LEU A 61 7.157 -20.674 -4.966 1.00 62.50 C ATOM 0 H LEU A 61 6.571 -24.486 -2.044 1.00 21.40 H new ATOM 0 HA LEU A 61 5.760 -24.690 -4.800 1.00 71.22 H new ATOM 0 HB2 LEU A 61 5.777 -22.568 -3.562 1.00 74.25 H new ATOM 0 HB3 LEU A 61 7.498 -22.723 -3.271 1.00 74.25 H new ATOM 0 HG LEU A 61 7.929 -22.523 -5.698 1.00 13.52 H new ATOM 0 HD11 LEU A 61 6.109 -21.809 -7.195 1.00 25.20 H new ATOM 0 HD12 LEU A 61 5.818 -23.435 -6.532 1.00 25.20 H new ATOM 0 HD13 LEU A 61 4.938 -22.035 -5.874 1.00 25.20 H new ATOM 0 HD21 LEU A 61 7.361 -20.132 -5.889 1.00 62.50 H new ATOM 0 HD22 LEU A 61 6.240 -20.293 -4.516 1.00 62.50 H new ATOM 0 HD23 LEU A 61 7.986 -20.534 -4.273 1.00 62.50 H new ATOM 949 N GLU A 62 7.960 -24.921 -6.093 1.00 64.11 N ATOM 950 CA GLU A 62 9.128 -25.413 -6.815 1.00 40.54 C ATOM 951 C GLU A 62 10.007 -24.255 -7.281 1.00 32.21 C ATOM 952 O GLU A 62 9.778 -23.677 -8.343 1.00 65.30 O ATOM 953 CB GLU A 62 8.695 -26.255 -8.017 1.00 3.23 C ATOM 954 CG GLU A 62 7.816 -27.437 -7.647 1.00 44.02 C ATOM 955 CD GLU A 62 6.358 -27.055 -7.493 1.00 2.22 C ATOM 956 OE1 GLU A 62 5.786 -26.494 -8.452 1.00 32.41 O ATOM 957 OE2 GLU A 62 5.786 -27.317 -6.413 1.00 33.24 O ATOM 0 H GLU A 62 7.238 -24.512 -6.687 1.00 64.11 H new ATOM 0 HA GLU A 62 9.708 -26.036 -6.134 1.00 40.54 H new ATOM 0 HB2 GLU A 62 8.157 -25.619 -8.720 1.00 3.23 H new ATOM 0 HB3 GLU A 62 9.583 -26.621 -8.533 1.00 3.23 H new ATOM 0 HG2 GLU A 62 7.907 -28.206 -8.414 1.00 44.02 H new ATOM 0 HG3 GLU A 62 8.174 -27.873 -6.714 1.00 44.02 H new ATOM 964 N ILE A 63 11.013 -23.923 -6.478 1.00 12.34 N ATOM 965 CA ILE A 63 11.925 -22.836 -6.807 1.00 13.42 C ATOM 966 C ILE A 63 13.253 -23.373 -7.330 1.00 50.35 C ATOM 967 O ILE A 63 13.845 -24.277 -6.739 1.00 1.03 O ATOM 968 CB ILE A 63 12.193 -21.936 -5.586 1.00 13.21 C ATOM 969 CG1 ILE A 63 10.873 -21.491 -4.953 1.00 12.13 C ATOM 970 CG2 ILE A 63 13.026 -20.728 -5.991 1.00 44.33 C ATOM 971 CD1 ILE A 63 11.050 -20.721 -3.664 1.00 31.30 C ATOM 0 H ILE A 63 11.216 -24.392 -5.595 1.00 12.34 H new ATOM 0 HA ILE A 63 11.443 -22.244 -7.585 1.00 13.42 H new ATOM 0 HB ILE A 63 12.754 -22.509 -4.847 1.00 13.21 H new ATOM 0 HG12 ILE A 63 10.329 -20.871 -5.665 1.00 12.13 H new ATOM 0 HG13 ILE A 63 10.258 -22.370 -4.760 1.00 12.13 H new ATOM 0 HG21 ILE A 63 13.207 -20.102 -5.118 1.00 44.33 H new ATOM 0 HG22 ILE A 63 13.979 -21.064 -6.401 1.00 44.33 H new ATOM 0 HG23 ILE A 63 12.490 -20.152 -6.745 1.00 44.33 H new ATOM 0 HD11 ILE A 63 10.073 -20.438 -3.272 1.00 31.30 H new ATOM 0 HD12 ILE A 63 11.566 -21.346 -2.935 1.00 31.30 H new ATOM 0 HD13 ILE A 63 11.639 -19.823 -3.854 1.00 31.30 H new ATOM 983 N SER A 64 13.718 -22.809 -8.440 1.00 62.12 N ATOM 984 CA SER A 64 14.976 -23.232 -9.044 1.00 24.42 C ATOM 985 C SER A 64 16.024 -22.129 -8.943 1.00 43.13 C ATOM 986 O SER A 64 15.694 -20.955 -8.774 1.00 51.43 O ATOM 987 CB SER A 64 14.760 -23.614 -10.510 1.00 11.30 C ATOM 988 OG SER A 64 13.464 -24.150 -10.711 1.00 62.42 O ATOM 0 H SER A 64 13.242 -22.058 -8.940 1.00 62.12 H new ATOM 0 HA SER A 64 15.337 -24.104 -8.499 1.00 24.42 H new ATOM 0 HB2 SER A 64 14.896 -22.736 -11.142 1.00 11.30 H new ATOM 0 HB3 SER A 64 15.510 -24.344 -10.813 1.00 11.30 H new ATOM 0 HG SER A 64 12.824 -23.419 -10.839 1.00 62.42 H new ATOM 994 N ASP A 65 17.291 -22.515 -9.048 1.00 62.34 N ATOM 995 CA ASP A 65 18.391 -21.560 -8.971 1.00 23.42 C ATOM 996 C ASP A 65 18.175 -20.403 -9.940 1.00 74.13 C ATOM 997 O ASP A 65 18.564 -19.269 -9.664 1.00 54.05 O ATOM 998 CB ASP A 65 19.720 -22.254 -9.272 1.00 52.11 C ATOM 999 CG ASP A 65 20.895 -21.574 -8.597 1.00 70.32 C ATOM 1000 OD1 ASP A 65 20.669 -20.829 -7.620 1.00 61.43 O ATOM 1001 OD2 ASP A 65 22.040 -21.788 -9.044 1.00 71.50 O ATOM 0 H ASP A 65 17.582 -23.483 -9.187 1.00 62.34 H new ATOM 0 HA ASP A 65 18.422 -21.160 -7.958 1.00 23.42 H new ATOM 0 HB2 ASP A 65 19.667 -23.292 -8.943 1.00 52.11 H new ATOM 0 HB3 ASP A 65 19.883 -22.269 -10.350 1.00 52.11 H new ATOM 1006 N GLU A 66 17.554 -20.698 -11.078 1.00 21.54 N ATOM 1007 CA GLU A 66 17.289 -19.682 -12.089 1.00 3.53 C ATOM 1008 C GLU A 66 16.138 -18.776 -11.662 1.00 44.45 C ATOM 1009 O GLU A 66 16.132 -17.580 -11.956 1.00 51.24 O ATOM 1010 CB GLU A 66 16.963 -20.340 -13.432 1.00 13.04 C ATOM 1011 CG GLU A 66 17.829 -19.844 -14.578 1.00 65.22 C ATOM 1012 CD GLU A 66 17.603 -20.624 -15.859 1.00 70.22 C ATOM 1013 OE1 GLU A 66 18.282 -21.654 -16.054 1.00 75.31 O ATOM 1014 OE2 GLU A 66 16.748 -20.205 -16.666 1.00 23.41 O ATOM 0 H GLU A 66 17.225 -21.632 -11.322 1.00 21.54 H new ATOM 0 HA GLU A 66 18.186 -19.073 -12.199 1.00 3.53 H new ATOM 0 HB2 GLU A 66 17.083 -21.419 -13.337 1.00 13.04 H new ATOM 0 HB3 GLU A 66 15.916 -20.156 -13.673 1.00 13.04 H new ATOM 0 HG2 GLU A 66 17.619 -18.789 -14.757 1.00 65.22 H new ATOM 0 HG3 GLU A 66 18.879 -19.916 -14.293 1.00 65.22 H new ATOM 1021 N ASP A 67 15.165 -19.355 -10.967 1.00 50.34 N ATOM 1022 CA ASP A 67 14.007 -18.600 -10.498 1.00 4.40 C ATOM 1023 C ASP A 67 14.401 -17.641 -9.380 1.00 63.04 C ATOM 1024 O ASP A 67 13.922 -16.509 -9.322 1.00 63.01 O ATOM 1025 CB ASP A 67 12.916 -19.553 -10.007 1.00 31.35 C ATOM 1026 CG ASP A 67 12.385 -20.444 -11.113 1.00 43.02 C ATOM 1027 OD1 ASP A 67 11.777 -19.910 -12.064 1.00 23.01 O ATOM 1028 OD2 ASP A 67 12.576 -21.675 -11.028 1.00 3.12 O ATOM 0 H ASP A 67 15.154 -20.344 -10.716 1.00 50.34 H new ATOM 0 HA ASP A 67 13.621 -18.017 -11.334 1.00 4.40 H new ATOM 0 HB2 ASP A 67 13.314 -20.173 -9.204 1.00 31.35 H new ATOM 0 HB3 ASP A 67 12.095 -18.974 -9.585 1.00 31.35 H new ATOM 1033 N ALA A 68 15.277 -18.101 -8.493 1.00 50.52 N ATOM 1034 CA ALA A 68 15.737 -17.283 -7.377 1.00 14.12 C ATOM 1035 C ALA A 68 16.640 -16.153 -7.860 1.00 75.14 C ATOM 1036 O ALA A 68 16.791 -15.136 -7.184 1.00 20.01 O ATOM 1037 CB ALA A 68 16.466 -18.143 -6.356 1.00 45.43 C ATOM 0 H ALA A 68 15.683 -19.036 -8.525 1.00 50.52 H new ATOM 0 HA ALA A 68 14.863 -16.837 -6.902 1.00 14.12 H new ATOM 0 HB1 ALA A 68 16.803 -17.518 -5.529 1.00 45.43 H new ATOM 0 HB2 ALA A 68 15.791 -18.911 -5.979 1.00 45.43 H new ATOM 0 HB3 ALA A 68 17.327 -18.617 -6.828 1.00 45.43 H new ATOM 1043 N GLN A 69 17.239 -16.339 -9.032 1.00 33.43 N ATOM 1044 CA GLN A 69 18.128 -15.336 -9.603 1.00 50.50 C ATOM 1045 C GLN A 69 17.390 -14.021 -9.833 1.00 42.43 C ATOM 1046 O GLN A 69 18.008 -12.964 -9.959 1.00 20.02 O ATOM 1047 CB GLN A 69 18.719 -15.839 -10.922 1.00 42.55 C ATOM 1048 CG GLN A 69 20.165 -16.293 -10.807 1.00 42.41 C ATOM 1049 CD GLN A 69 21.064 -15.231 -10.207 1.00 21.43 C ATOM 1050 OE1 GLN A 69 21.386 -14.236 -10.855 1.00 60.33 O ATOM 1051 NE2 GLN A 69 21.475 -15.437 -8.961 1.00 70.11 N ATOM 0 H GLN A 69 17.124 -17.176 -9.604 1.00 33.43 H new ATOM 0 HA GLN A 69 18.937 -15.159 -8.894 1.00 50.50 H new ATOM 0 HB2 GLN A 69 18.114 -16.669 -11.288 1.00 42.55 H new ATOM 0 HB3 GLN A 69 18.654 -15.045 -11.666 1.00 42.55 H new ATOM 0 HG2 GLN A 69 20.212 -17.192 -10.193 1.00 42.41 H new ATOM 0 HG3 GLN A 69 20.537 -16.562 -11.796 1.00 42.41 H new ATOM 0 HE21 GLN A 69 21.184 -16.276 -8.460 1.00 70.11 H new ATOM 0 HE22 GLN A 69 22.082 -14.756 -8.505 1.00 70.11 H new ATOM 1060 N LYS A 70 16.064 -14.094 -9.886 1.00 74.45 N ATOM 1061 CA LYS A 70 15.240 -12.910 -10.098 1.00 1.53 C ATOM 1062 C LYS A 70 14.436 -12.576 -8.846 1.00 1.43 C ATOM 1063 O LYS A 70 13.509 -11.764 -8.889 1.00 51.12 O ATOM 1064 CB LYS A 70 14.294 -13.127 -11.282 1.00 34.22 C ATOM 1065 CG LYS A 70 13.100 -14.006 -10.953 1.00 63.44 C ATOM 1066 CD LYS A 70 12.950 -15.139 -11.955 1.00 33.11 C ATOM 1067 CE LYS A 70 11.489 -15.511 -12.161 1.00 71.42 C ATOM 1068 NZ LYS A 70 10.818 -14.604 -13.134 1.00 44.31 N ATOM 0 H LYS A 70 15.537 -14.961 -9.785 1.00 74.45 H new ATOM 0 HA LYS A 70 15.901 -12.072 -10.318 1.00 1.53 H new ATOM 0 HB2 LYS A 70 13.936 -12.159 -11.633 1.00 34.22 H new ATOM 0 HB3 LYS A 70 14.851 -13.578 -12.103 1.00 34.22 H new ATOM 0 HG2 LYS A 70 13.215 -14.418 -9.951 1.00 63.44 H new ATOM 0 HG3 LYS A 70 12.193 -13.402 -10.947 1.00 63.44 H new ATOM 0 HD2 LYS A 70 13.389 -14.844 -12.908 1.00 33.11 H new ATOM 0 HD3 LYS A 70 13.503 -16.011 -11.605 1.00 33.11 H new ATOM 0 HE2 LYS A 70 11.423 -16.539 -12.517 1.00 71.42 H new ATOM 0 HE3 LYS A 70 10.966 -15.470 -11.206 1.00 71.42 H new ATOM 0 HZ1 LYS A 70 9.825 -14.890 -13.247 1.00 44.31 H new ATOM 0 HZ2 LYS A 70 10.859 -13.626 -12.782 1.00 44.31 H new ATOM 0 HZ3 LYS A 70 11.302 -14.662 -14.053 1.00 44.31 H new ATOM 1082 N LEU A 71 14.794 -13.203 -7.732 1.00 13.15 N ATOM 1083 CA LEU A 71 14.107 -12.970 -6.467 1.00 10.42 C ATOM 1084 C LEU A 71 15.071 -12.436 -5.412 1.00 61.30 C ATOM 1085 O LEU A 71 15.957 -13.152 -4.948 1.00 61.23 O ATOM 1086 CB LEU A 71 13.458 -14.264 -5.971 1.00 23.55 C ATOM 1087 CG LEU A 71 12.372 -14.857 -6.869 1.00 21.50 C ATOM 1088 CD1 LEU A 71 11.712 -16.050 -6.193 1.00 21.03 C ATOM 1089 CD2 LEU A 71 11.334 -13.800 -7.221 1.00 12.53 C ATOM 0 H LEU A 71 15.557 -13.878 -7.679 1.00 13.15 H new ATOM 0 HA LEU A 71 13.332 -12.222 -6.636 1.00 10.42 H new ATOM 0 HB2 LEU A 71 14.240 -15.012 -5.839 1.00 23.55 H new ATOM 0 HB3 LEU A 71 13.026 -14.077 -4.988 1.00 23.55 H new ATOM 0 HG LEU A 71 12.839 -15.201 -7.792 1.00 21.50 H new ATOM 0 HD11 LEU A 71 10.942 -16.459 -6.847 1.00 21.03 H new ATOM 0 HD12 LEU A 71 12.462 -16.815 -5.993 1.00 21.03 H new ATOM 0 HD13 LEU A 71 11.259 -15.732 -5.254 1.00 21.03 H new ATOM 0 HD21 LEU A 71 10.569 -14.240 -7.861 1.00 12.53 H new ATOM 0 HD22 LEU A 71 10.872 -13.425 -6.308 1.00 12.53 H new ATOM 0 HD23 LEU A 71 11.817 -12.977 -7.747 1.00 12.53 H new ATOM 1101 N GLU A 72 14.889 -11.173 -5.038 1.00 14.33 N ATOM 1102 CA GLU A 72 15.743 -10.543 -4.038 1.00 73.52 C ATOM 1103 C GLU A 72 14.916 -9.706 -3.067 1.00 43.43 C ATOM 1104 O GLU A 72 15.066 -9.818 -1.849 1.00 73.12 O ATOM 1105 CB GLU A 72 16.798 -9.665 -4.715 1.00 41.34 C ATOM 1106 CG GLU A 72 16.229 -8.745 -5.782 1.00 21.33 C ATOM 1107 CD GLU A 72 17.310 -8.023 -6.566 1.00 53.11 C ATOM 1108 OE1 GLU A 72 18.002 -8.684 -7.367 1.00 52.00 O ATOM 1109 OE2 GLU A 72 17.461 -6.799 -6.377 1.00 42.31 O ATOM 0 H GLU A 72 14.159 -10.567 -5.412 1.00 14.33 H new ATOM 0 HA GLU A 72 16.244 -11.332 -3.476 1.00 73.52 H new ATOM 0 HB2 GLU A 72 17.298 -9.063 -3.957 1.00 41.34 H new ATOM 0 HB3 GLU A 72 17.557 -10.305 -5.166 1.00 41.34 H new ATOM 0 HG2 GLU A 72 15.615 -9.327 -6.469 1.00 21.33 H new ATOM 0 HG3 GLU A 72 15.574 -8.011 -5.312 1.00 21.33 H new ATOM 1116 N THR A 73 14.043 -8.866 -3.613 1.00 72.44 N ATOM 1117 CA THR A 73 13.194 -8.008 -2.796 1.00 4.34 C ATOM 1118 C THR A 73 11.966 -8.763 -2.301 1.00 12.00 C ATOM 1119 O THR A 73 11.534 -9.739 -2.915 1.00 42.34 O ATOM 1120 CB THR A 73 12.735 -6.763 -3.579 1.00 65.13 C ATOM 1121 OG1 THR A 73 12.155 -7.155 -4.828 1.00 4.12 O ATOM 1122 CG2 THR A 73 13.903 -5.821 -3.830 1.00 4.33 C ATOM 0 H THR A 73 13.905 -8.761 -4.618 1.00 72.44 H new ATOM 0 HA THR A 73 13.792 -7.691 -1.942 1.00 4.34 H new ATOM 0 HB THR A 73 11.989 -6.240 -2.981 1.00 65.13 H new ATOM 0 HG1 THR A 73 11.865 -6.358 -5.318 1.00 4.12 H new ATOM 0 HG21 THR A 73 13.555 -4.949 -4.384 1.00 4.33 H new ATOM 0 HG22 THR A 73 14.323 -5.501 -2.877 1.00 4.33 H new ATOM 0 HG23 THR A 73 14.669 -6.337 -4.409 1.00 4.33 H new ATOM 1130 N VAL A 74 11.406 -8.305 -1.185 1.00 44.25 N ATOM 1131 CA VAL A 74 10.226 -8.937 -0.607 1.00 71.10 C ATOM 1132 C VAL A 74 9.074 -8.968 -1.605 1.00 60.12 C ATOM 1133 O VAL A 74 8.440 -10.004 -1.805 1.00 22.51 O ATOM 1134 CB VAL A 74 9.766 -8.206 0.669 1.00 25.12 C ATOM 1135 CG1 VAL A 74 8.608 -8.946 1.320 1.00 52.13 C ATOM 1136 CG2 VAL A 74 10.926 -8.050 1.641 1.00 34.04 C ATOM 0 H VAL A 74 11.751 -7.499 -0.664 1.00 44.25 H new ATOM 0 HA VAL A 74 10.508 -9.958 -0.350 1.00 71.10 H new ATOM 0 HB VAL A 74 9.419 -7.211 0.392 1.00 25.12 H new ATOM 0 HG11 VAL A 74 8.297 -8.415 2.220 1.00 52.13 H new ATOM 0 HG12 VAL A 74 7.772 -8.999 0.622 1.00 52.13 H new ATOM 0 HG13 VAL A 74 8.924 -9.955 1.585 1.00 52.13 H new ATOM 0 HG21 VAL A 74 10.583 -7.532 2.536 1.00 34.04 H new ATOM 0 HG22 VAL A 74 11.306 -9.034 1.915 1.00 34.04 H new ATOM 0 HG23 VAL A 74 11.721 -7.472 1.169 1.00 34.04 H new ATOM 1146 N ASP A 75 8.810 -7.826 -2.230 1.00 22.54 N ATOM 1147 CA ASP A 75 7.734 -7.722 -3.210 1.00 40.14 C ATOM 1148 C ASP A 75 7.895 -8.770 -4.306 1.00 70.00 C ATOM 1149 O ASP A 75 6.975 -9.540 -4.582 1.00 42.53 O ATOM 1150 CB ASP A 75 7.711 -6.322 -3.826 1.00 63.23 C ATOM 1151 CG ASP A 75 6.533 -6.119 -4.757 1.00 53.41 C ATOM 1152 OD1 ASP A 75 5.558 -6.895 -4.660 1.00 1.32 O ATOM 1153 OD2 ASP A 75 6.584 -5.184 -5.583 1.00 23.41 O ATOM 0 H ASP A 75 9.326 -6.960 -2.076 1.00 22.54 H new ATOM 0 HA ASP A 75 6.789 -7.901 -2.697 1.00 40.14 H new ATOM 0 HB2 ASP A 75 7.674 -5.578 -3.030 1.00 63.23 H new ATOM 0 HB3 ASP A 75 8.638 -6.155 -4.375 1.00 63.23 H new ATOM 1158 N ASP A 76 9.069 -8.795 -4.927 1.00 53.01 N ATOM 1159 CA ASP A 76 9.350 -9.749 -5.994 1.00 32.13 C ATOM 1160 C ASP A 76 9.132 -11.180 -5.513 1.00 4.15 C ATOM 1161 O ASP A 76 8.439 -11.964 -6.163 1.00 73.03 O ATOM 1162 CB ASP A 76 10.786 -9.579 -6.493 1.00 73.52 C ATOM 1163 CG ASP A 76 10.974 -8.305 -7.292 1.00 1.45 C ATOM 1164 OD1 ASP A 76 10.079 -7.435 -7.242 1.00 43.24 O ATOM 1165 OD2 ASP A 76 12.017 -8.176 -7.966 1.00 14.20 O ATOM 0 H ASP A 76 9.842 -8.166 -4.710 1.00 53.01 H new ATOM 0 HA ASP A 76 8.662 -9.552 -6.816 1.00 32.13 H new ATOM 0 HB2 ASP A 76 11.465 -9.573 -5.641 1.00 73.52 H new ATOM 0 HB3 ASP A 76 11.057 -10.435 -7.111 1.00 73.52 H new ATOM 1170 N ILE A 77 9.727 -11.514 -4.374 1.00 33.41 N ATOM 1171 CA ILE A 77 9.596 -12.851 -3.806 1.00 42.01 C ATOM 1172 C ILE A 77 8.131 -13.226 -3.614 1.00 14.23 C ATOM 1173 O ILE A 77 7.671 -14.250 -4.120 1.00 4.43 O ATOM 1174 CB ILE A 77 10.325 -12.962 -2.454 1.00 62.01 C ATOM 1175 CG1 ILE A 77 11.814 -12.651 -2.624 1.00 31.21 C ATOM 1176 CG2 ILE A 77 10.132 -14.350 -1.862 1.00 54.54 C ATOM 1177 CD1 ILE A 77 12.455 -12.069 -1.385 1.00 0.20 C ATOM 0 H ILE A 77 10.305 -10.878 -3.825 1.00 33.41 H new ATOM 0 HA ILE A 77 10.055 -13.541 -4.514 1.00 42.01 H new ATOM 0 HB ILE A 77 9.898 -12.232 -1.767 1.00 62.01 H new ATOM 0 HG12 ILE A 77 12.339 -13.566 -2.899 1.00 31.21 H new ATOM 0 HG13 ILE A 77 11.939 -11.951 -3.450 1.00 31.21 H new ATOM 0 HG21 ILE A 77 10.653 -14.414 -0.907 1.00 54.54 H new ATOM 0 HG22 ILE A 77 9.069 -14.536 -1.709 1.00 54.54 H new ATOM 0 HG23 ILE A 77 10.536 -15.097 -2.546 1.00 54.54 H new ATOM 0 HD11 ILE A 77 13.510 -11.874 -1.579 1.00 0.20 H new ATOM 0 HD12 ILE A 77 11.956 -11.137 -1.121 1.00 0.20 H new ATOM 0 HD13 ILE A 77 12.362 -12.776 -0.561 1.00 0.20 H new ATOM 1189 N CYS A 78 7.403 -12.390 -2.883 1.00 61.25 N ATOM 1190 CA CYS A 78 5.988 -12.632 -2.624 1.00 2.14 C ATOM 1191 C CYS A 78 5.204 -12.717 -3.930 1.00 72.24 C ATOM 1192 O CYS A 78 4.218 -13.448 -4.028 1.00 42.05 O ATOM 1193 CB CYS A 78 5.413 -11.525 -1.740 1.00 33.40 C ATOM 1194 SG CYS A 78 3.961 -12.025 -0.783 1.00 42.35 S ATOM 0 H CYS A 78 7.769 -11.538 -2.459 1.00 61.25 H new ATOM 0 HA CYS A 78 5.897 -13.585 -2.104 1.00 2.14 H new ATOM 0 HB2 CYS A 78 6.188 -11.184 -1.053 1.00 33.40 H new ATOM 0 HB3 CYS A 78 5.146 -10.675 -2.368 1.00 33.40 H new ATOM 0 HG CYS A 78 3.241 -12.849 -1.485 1.00 42.35 H new ATOM 1200 N ARG A 79 5.647 -11.962 -4.930 1.00 42.12 N ATOM 1201 CA ARG A 79 4.984 -11.949 -6.229 1.00 32.51 C ATOM 1202 C ARG A 79 5.163 -13.286 -6.943 1.00 62.11 C ATOM 1203 O ARG A 79 4.241 -13.783 -7.591 1.00 54.33 O ATOM 1204 CB ARG A 79 5.539 -10.818 -7.096 1.00 34.14 C ATOM 1205 CG ARG A 79 4.599 -10.389 -8.211 1.00 33.33 C ATOM 1206 CD ARG A 79 4.859 -11.169 -9.490 1.00 43.34 C ATOM 1207 NE ARG A 79 3.972 -10.757 -10.574 1.00 64.15 N ATOM 1208 CZ ARG A 79 3.874 -11.403 -11.730 1.00 42.12 C ATOM 1209 NH1 ARG A 79 4.604 -12.487 -11.952 1.00 41.13 N ATOM 1210 NH2 ARG A 79 3.043 -10.966 -12.668 1.00 72.00 N ATOM 0 H ARG A 79 6.462 -11.352 -4.866 1.00 42.12 H new ATOM 0 HA ARG A 79 3.919 -11.783 -6.065 1.00 32.51 H new ATOM 0 HB2 ARG A 79 5.754 -9.958 -6.462 1.00 34.14 H new ATOM 0 HB3 ARG A 79 6.485 -11.137 -7.533 1.00 34.14 H new ATOM 0 HG2 ARG A 79 3.566 -10.539 -7.896 1.00 33.33 H new ATOM 0 HG3 ARG A 79 4.722 -9.323 -8.402 1.00 33.33 H new ATOM 0 HD2 ARG A 79 5.895 -11.027 -9.796 1.00 43.34 H new ATOM 0 HD3 ARG A 79 4.726 -12.234 -9.298 1.00 43.34 H new ATOM 0 HE ARG A 79 3.396 -9.927 -10.436 1.00 64.15 H new ATOM 0 HH11 ARG A 79 5.243 -12.827 -11.234 1.00 41.13 H new ATOM 0 HH12 ARG A 79 4.526 -12.981 -12.841 1.00 41.13 H new ATOM 0 HH21 ARG A 79 2.479 -10.133 -12.501 1.00 72.00 H new ATOM 0 HH22 ARG A 79 2.969 -11.463 -13.555 1.00 72.00 H new ATOM 1224 N TYR A 80 6.353 -13.862 -6.821 1.00 65.34 N ATOM 1225 CA TYR A 80 6.653 -15.140 -7.457 1.00 50.23 C ATOM 1226 C TYR A 80 5.926 -16.282 -6.755 1.00 33.42 C ATOM 1227 O TYR A 80 5.428 -17.205 -7.399 1.00 3.40 O ATOM 1228 CB TYR A 80 8.160 -15.397 -7.446 1.00 55.12 C ATOM 1229 CG TYR A 80 8.541 -16.786 -7.907 1.00 74.13 C ATOM 1230 CD1 TYR A 80 8.567 -17.852 -7.016 1.00 52.21 C ATOM 1231 CD2 TYR A 80 8.874 -17.032 -9.233 1.00 64.12 C ATOM 1232 CE1 TYR A 80 8.916 -19.122 -7.433 1.00 73.04 C ATOM 1233 CE2 TYR A 80 9.222 -18.299 -9.658 1.00 4.04 C ATOM 1234 CZ TYR A 80 9.241 -19.341 -8.755 1.00 53.44 C ATOM 1235 OH TYR A 80 9.588 -20.604 -9.174 1.00 12.11 O ATOM 0 H TYR A 80 7.126 -13.465 -6.288 1.00 65.34 H new ATOM 0 HA TYR A 80 6.306 -15.093 -8.489 1.00 50.23 H new ATOM 0 HB2 TYR A 80 8.650 -14.664 -8.087 1.00 55.12 H new ATOM 0 HB3 TYR A 80 8.539 -15.242 -6.436 1.00 55.12 H new ATOM 0 HD1 TYR A 80 8.310 -17.685 -5.980 1.00 52.21 H new ATOM 0 HD2 TYR A 80 8.861 -16.219 -9.943 1.00 64.12 H new ATOM 0 HE1 TYR A 80 8.934 -19.939 -6.727 1.00 73.04 H new ATOM 0 HE2 TYR A 80 9.478 -18.473 -10.693 1.00 4.04 H new ATOM 0 HH TYR A 80 9.787 -20.587 -10.133 1.00 12.11 H new ATOM 1245 N ILE A 81 5.866 -16.211 -5.428 1.00 75.45 N ATOM 1246 CA ILE A 81 5.199 -17.237 -4.638 1.00 44.21 C ATOM 1247 C ILE A 81 3.683 -17.117 -4.748 1.00 45.44 C ATOM 1248 O ILE A 81 2.975 -18.118 -4.842 1.00 63.42 O ATOM 1249 CB ILE A 81 5.603 -17.156 -3.154 1.00 32.32 C ATOM 1250 CG1 ILE A 81 7.117 -17.311 -3.005 1.00 21.53 C ATOM 1251 CG2 ILE A 81 4.874 -18.220 -2.348 1.00 70.44 C ATOM 1252 CD1 ILE A 81 7.596 -17.230 -1.573 1.00 20.45 C ATOM 0 H ILE A 81 6.272 -15.453 -4.879 1.00 75.45 H new ATOM 0 HA ILE A 81 5.515 -18.200 -5.040 1.00 44.21 H new ATOM 0 HB ILE A 81 5.318 -16.177 -2.768 1.00 32.32 H new ATOM 0 HG12 ILE A 81 7.419 -18.270 -3.427 1.00 21.53 H new ATOM 0 HG13 ILE A 81 7.612 -16.536 -3.589 1.00 21.53 H new ATOM 0 HG21 ILE A 81 5.170 -18.150 -1.301 1.00 70.44 H new ATOM 0 HG22 ILE A 81 3.798 -18.067 -2.432 1.00 70.44 H new ATOM 0 HG23 ILE A 81 5.131 -19.207 -2.732 1.00 70.44 H new ATOM 0 HD11 ILE A 81 8.679 -17.348 -1.544 1.00 20.45 H new ATOM 0 HD12 ILE A 81 7.326 -16.261 -1.153 1.00 20.45 H new ATOM 0 HD13 ILE A 81 7.129 -18.022 -0.988 1.00 20.45 H new ATOM 1264 N ALA A 82 3.191 -15.881 -4.737 1.00 24.44 N ATOM 1265 CA ALA A 82 1.759 -15.629 -4.840 1.00 74.32 C ATOM 1266 C ALA A 82 1.223 -16.051 -6.204 1.00 1.20 C ATOM 1267 O ALA A 82 0.187 -16.708 -6.298 1.00 72.43 O ATOM 1268 CB ALA A 82 1.463 -14.158 -4.587 1.00 50.42 C ATOM 0 H ALA A 82 3.763 -15.040 -4.658 1.00 24.44 H new ATOM 0 HA ALA A 82 1.255 -16.226 -4.080 1.00 74.32 H new ATOM 0 HB1 ALA A 82 0.390 -13.984 -4.667 1.00 50.42 H new ATOM 0 HB2 ALA A 82 1.801 -13.885 -3.587 1.00 50.42 H new ATOM 0 HB3 ALA A 82 1.985 -13.550 -5.325 1.00 50.42 H new ATOM 1274 N SER A 83 1.937 -15.670 -7.259 1.00 34.12 N ATOM 1275 CA SER A 83 1.530 -16.005 -8.619 1.00 43.14 C ATOM 1276 C SER A 83 1.329 -17.510 -8.769 1.00 54.13 C ATOM 1277 O SER A 83 0.555 -17.964 -9.613 1.00 22.31 O ATOM 1278 CB SER A 83 2.577 -15.517 -9.621 1.00 1.43 C ATOM 1279 OG SER A 83 2.285 -15.978 -10.928 1.00 10.43 O ATOM 0 H SER A 83 2.800 -15.129 -7.198 1.00 34.12 H new ATOM 0 HA SER A 83 0.582 -15.507 -8.823 1.00 43.14 H new ATOM 0 HB2 SER A 83 2.611 -14.428 -9.615 1.00 1.43 H new ATOM 0 HB3 SER A 83 3.564 -15.868 -9.320 1.00 1.43 H new ATOM 0 HG SER A 83 2.968 -15.651 -11.550 1.00 10.43 H new ATOM 1285 N LYS A 84 2.031 -18.280 -7.945 1.00 42.25 N ATOM 1286 CA LYS A 84 1.930 -19.734 -7.984 1.00 0.24 C ATOM 1287 C LYS A 84 0.776 -20.223 -7.115 1.00 65.15 C ATOM 1288 O LYS A 84 -0.126 -20.911 -7.594 1.00 0.04 O ATOM 1289 CB LYS A 84 3.240 -20.370 -7.514 1.00 70.24 C ATOM 1290 CG LYS A 84 4.451 -19.941 -8.325 1.00 52.41 C ATOM 1291 CD LYS A 84 4.724 -20.903 -9.469 1.00 32.14 C ATOM 1292 CE LYS A 84 6.159 -20.794 -9.959 1.00 24.30 C ATOM 1293 NZ LYS A 84 6.309 -19.741 -11.002 1.00 51.04 N ATOM 0 H LYS A 84 2.677 -17.921 -7.242 1.00 42.25 H new ATOM 0 HA LYS A 84 1.738 -20.032 -9.015 1.00 0.24 H new ATOM 0 HB2 LYS A 84 3.404 -20.112 -6.468 1.00 70.24 H new ATOM 0 HB3 LYS A 84 3.146 -21.455 -7.564 1.00 70.24 H new ATOM 0 HG2 LYS A 84 4.288 -18.939 -8.722 1.00 52.41 H new ATOM 0 HG3 LYS A 84 5.325 -19.889 -7.676 1.00 52.41 H new ATOM 0 HD2 LYS A 84 4.527 -21.924 -9.142 1.00 32.14 H new ATOM 0 HD3 LYS A 84 4.041 -20.694 -10.292 1.00 32.14 H new ATOM 0 HE2 LYS A 84 6.814 -20.568 -9.118 1.00 24.30 H new ATOM 0 HE3 LYS A 84 6.479 -21.754 -10.363 1.00 24.30 H new ATOM 0 HZ1 LYS A 84 6.427 -20.189 -11.933 1.00 51.04 H new ATOM 0 HZ2 LYS A 84 5.461 -19.139 -11.013 1.00 51.04 H new ATOM 0 HZ3 LYS A 84 7.144 -19.158 -10.790 1.00 51.04 H new ATOM 1307 N SER A 85 0.809 -19.862 -5.836 1.00 10.43 N ATOM 1308 CA SER A 85 -0.235 -20.266 -4.901 1.00 43.33 C ATOM 1309 C SER A 85 -1.322 -19.200 -4.807 1.00 10.44 C ATOM 1310 O SER A 85 -1.794 -18.874 -3.717 1.00 32.24 O ATOM 1311 CB SER A 85 0.365 -20.524 -3.517 1.00 24.21 C ATOM 1312 OG SER A 85 1.603 -21.205 -3.616 1.00 62.21 O ATOM 0 H SER A 85 1.547 -19.291 -5.424 1.00 10.43 H new ATOM 0 HA SER A 85 -0.686 -21.187 -5.272 1.00 43.33 H new ATOM 0 HB2 SER A 85 0.508 -19.577 -2.997 1.00 24.21 H new ATOM 0 HB3 SER A 85 -0.331 -21.113 -2.920 1.00 24.21 H new ATOM 0 HG SER A 85 1.966 -21.356 -2.718 1.00 62.21 H new ATOM 1318 N SER A 86 -1.715 -18.661 -5.956 1.00 23.42 N ATOM 1319 CA SER A 86 -2.744 -17.629 -6.004 1.00 64.32 C ATOM 1320 C SER A 86 -4.124 -18.226 -5.742 1.00 34.22 C ATOM 1321 O SER A 86 -4.914 -17.676 -4.976 1.00 3.04 O ATOM 1322 CB SER A 86 -2.728 -16.928 -7.363 1.00 61.24 C ATOM 1323 OG SER A 86 -3.940 -16.228 -7.590 1.00 32.21 O ATOM 0 H SER A 86 -1.336 -18.922 -6.867 1.00 23.42 H new ATOM 0 HA SER A 86 -2.530 -16.899 -5.224 1.00 64.32 H new ATOM 0 HB2 SER A 86 -1.889 -16.233 -7.408 1.00 61.24 H new ATOM 0 HB3 SER A 86 -2.575 -17.663 -8.153 1.00 61.24 H new ATOM 0 HG SER A 86 -3.904 -15.787 -8.465 1.00 32.21 H new ATOM 1329 N ASP A 87 -4.405 -19.354 -6.386 1.00 33.10 N ATOM 1330 CA ASP A 87 -5.689 -20.027 -6.223 1.00 34.24 C ATOM 1331 C ASP A 87 -5.596 -21.127 -5.172 1.00 52.42 C ATOM 1332 O ASP A 87 -4.517 -21.654 -4.904 1.00 53.21 O ATOM 1333 CB ASP A 87 -6.153 -20.616 -7.557 1.00 33.23 C ATOM 1334 CG ASP A 87 -7.636 -20.929 -7.567 1.00 3.24 C ATOM 1335 OD1 ASP A 87 -8.439 -20.010 -7.303 1.00 24.05 O ATOM 1336 OD2 ASP A 87 -7.994 -22.095 -7.837 1.00 61.42 O ATOM 0 H ASP A 87 -3.762 -19.821 -7.025 1.00 33.10 H new ATOM 0 HA ASP A 87 -6.418 -19.290 -5.887 1.00 34.24 H new ATOM 0 HB2 ASP A 87 -5.928 -19.913 -8.359 1.00 33.23 H new ATOM 0 HB3 ASP A 87 -5.591 -21.527 -7.764 1.00 33.23 H new ATOM 1341 N ALA A 88 -6.735 -21.468 -4.577 1.00 51.22 N ATOM 1342 CA ALA A 88 -6.783 -22.506 -3.555 1.00 24.22 C ATOM 1343 C ALA A 88 -7.386 -23.794 -4.107 1.00 25.02 C ATOM 1344 O ALA A 88 -6.989 -24.893 -3.718 1.00 32.15 O ATOM 1345 CB ALA A 88 -7.576 -22.025 -2.350 1.00 70.24 C ATOM 0 H ALA A 88 -7.637 -21.040 -4.786 1.00 51.22 H new ATOM 0 HA ALA A 88 -5.761 -22.719 -3.242 1.00 24.22 H new ATOM 0 HB1 ALA A 88 -7.603 -22.811 -1.595 1.00 70.24 H new ATOM 0 HB2 ALA A 88 -7.101 -21.137 -1.933 1.00 70.24 H new ATOM 0 HB3 ALA A 88 -8.593 -21.782 -2.657 1.00 70.24 H new TER 1351 ALA A 88