USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 625 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 16 LYS NZ :NH3+ 138:sc= -0.682 (180deg=-2.68!) USER MOD Set 1.2: A 47 ASN : amide:sc= -0.756 X(o=-1.4,f=-1.6) USER MOD Single : A 1 ALA N :NH3+ -121:sc= 0.132 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 164:sc= -0.01 (180deg=-0.121) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -121:sc= -0.0655 USER MOD Single : A 8 LYS NZ :NH3+ -111:sc= 0.0248 (180deg=-0.0435) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0144 USER MOD Single : A 14 LYS NZ :NH3+ -176:sc=-0.00793 (180deg=-0.0302) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0165 USER MOD Single : A 29 SER OG : rot -35:sc= 1.45 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 70:sc= 0.884 USER MOD Single : A 46 MET CE :methyl 146:sc= -0.481 (180deg=-1.08) USER MOD Single : A 55 ASN : amide:sc= -0.498 X(o=-0.5,f=-0.15) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 65:sc= 0.222 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0624 USER MOD Single : A 68 GLN : amide:sc= -3.49! C(o=-3.5!,f=-2!) USER MOD Single : A 69 GLN : amide:sc= -0.0647 K(o=-0.065,f=-1.9!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -130:sc= -0.161 (180deg=-1.49!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.704 -2.980 9.297 1.00 0.00 N ATOM 2 CA ALA A 1 -6.604 -4.069 8.334 1.00 71.14 C ATOM 3 C ALA A 1 -6.098 -5.345 8.998 1.00 23.52 C ATOM 4 O ALA A 1 -5.846 -5.372 10.203 1.00 33.22 O ATOM 5 CB ALA A 1 -5.692 -3.674 7.182 1.00 63.41 C ATOM 0 H1 ALA A 1 -7.685 -2.638 9.334 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.421 -3.321 10.238 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.077 -2.202 9.008 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.602 -4.266 7.942 1.00 71.14 H new ATOM 0 HB1 ALA A 1 -5.627 -4.497 6.471 1.00 63.41 H new ATOM 0 HB2 ALA A 1 -6.097 -2.794 6.682 1.00 63.41 H new ATOM 0 HB3 ALA A 1 -4.698 -3.447 7.566 1.00 63.41 H new ATOM 11 N LYS A 2 -5.949 -6.401 8.206 1.00 1.11 N ATOM 12 CA LYS A 2 -5.471 -7.681 8.716 1.00 34.25 C ATOM 13 C LYS A 2 -4.074 -7.990 8.189 1.00 11.33 C ATOM 14 O LYS A 2 -3.585 -7.329 7.272 1.00 32.05 O ATOM 15 CB LYS A 2 -6.436 -8.802 8.323 1.00 73.11 C ATOM 16 CG LYS A 2 -6.882 -8.740 6.872 1.00 22.11 C ATOM 17 CD LYS A 2 -8.297 -8.203 6.745 1.00 35.33 C ATOM 18 CE LYS A 2 -9.001 -8.769 5.523 1.00 52.24 C ATOM 19 NZ LYS A 2 -9.376 -10.198 5.710 1.00 30.43 N ATOM 0 H LYS A 2 -6.153 -6.396 7.207 1.00 1.11 H new ATOM 0 HA LYS A 2 -5.423 -7.615 9.803 1.00 34.25 H new ATOM 0 HB2 LYS A 2 -5.957 -9.764 8.506 1.00 73.11 H new ATOM 0 HB3 LYS A 2 -7.314 -8.756 8.967 1.00 73.11 H new ATOM 0 HG2 LYS A 2 -6.199 -8.105 6.308 1.00 22.11 H new ATOM 0 HG3 LYS A 2 -6.829 -9.736 6.432 1.00 22.11 H new ATOM 0 HD2 LYS A 2 -8.864 -8.454 7.641 1.00 35.33 H new ATOM 0 HD3 LYS A 2 -8.270 -7.115 6.679 1.00 35.33 H new ATOM 0 HE2 LYS A 2 -9.896 -8.183 5.316 1.00 52.24 H new ATOM 0 HE3 LYS A 2 -8.351 -8.675 4.653 1.00 52.24 H new ATOM 0 HZ1 LYS A 2 -10.077 -10.470 4.991 1.00 30.43 H new ATOM 0 HZ2 LYS A 2 -8.530 -10.795 5.612 1.00 30.43 H new ATOM 0 HZ3 LYS A 2 -9.783 -10.329 6.658 1.00 30.43 H new ATOM 33 N LYS A 3 -3.437 -8.998 8.772 1.00 65.24 N ATOM 34 CA LYS A 3 -2.096 -9.398 8.359 1.00 63.34 C ATOM 35 C LYS A 3 -2.093 -9.880 6.912 1.00 1.44 C ATOM 36 O LYS A 3 -1.074 -9.801 6.225 1.00 54.41 O ATOM 37 CB LYS A 3 -1.565 -10.502 9.277 1.00 42.45 C ATOM 38 CG LYS A 3 -2.479 -11.713 9.362 1.00 41.34 C ATOM 39 CD LYS A 3 -3.300 -11.703 10.641 1.00 2.53 C ATOM 40 CE LYS A 3 -3.644 -13.113 11.093 1.00 34.13 C ATOM 41 NZ LYS A 3 -4.445 -13.113 12.349 1.00 14.40 N ATOM 0 H LYS A 3 -3.827 -9.554 9.533 1.00 65.24 H new ATOM 0 HA LYS A 3 -1.445 -8.527 8.434 1.00 63.34 H new ATOM 0 HB2 LYS A 3 -0.586 -10.821 8.920 1.00 42.45 H new ATOM 0 HB3 LYS A 3 -1.422 -10.094 10.278 1.00 42.45 H new ATOM 0 HG2 LYS A 3 -3.146 -11.728 8.500 1.00 41.34 H new ATOM 0 HG3 LYS A 3 -1.882 -12.624 9.319 1.00 41.34 H new ATOM 0 HD2 LYS A 3 -2.744 -11.193 11.428 1.00 2.53 H new ATOM 0 HD3 LYS A 3 -4.218 -11.137 10.481 1.00 2.53 H new ATOM 0 HE2 LYS A 3 -4.202 -13.621 10.306 1.00 34.13 H new ATOM 0 HE3 LYS A 3 -2.725 -13.679 11.248 1.00 34.13 H new ATOM 0 HZ1 LYS A 3 -4.659 -14.093 12.624 1.00 14.40 H new ATOM 0 HZ2 LYS A 3 -3.902 -12.651 13.107 1.00 14.40 H new ATOM 0 HZ3 LYS A 3 -5.333 -12.595 12.194 1.00 14.40 H new ATOM 55 N GLU A 4 -3.239 -10.376 6.456 1.00 61.01 N ATOM 56 CA GLU A 4 -3.367 -10.869 5.090 1.00 4.42 C ATOM 57 C GLU A 4 -3.403 -9.712 4.095 1.00 55.02 C ATOM 58 O GLU A 4 -2.744 -9.749 3.056 1.00 61.44 O ATOM 59 CB GLU A 4 -4.630 -11.719 4.946 1.00 71.34 C ATOM 60 CG GLU A 4 -4.617 -12.630 3.731 1.00 44.41 C ATOM 61 CD GLU A 4 -4.784 -11.869 2.429 1.00 73.22 C ATOM 62 OE1 GLU A 4 -5.561 -10.891 2.410 1.00 64.13 O ATOM 63 OE2 GLU A 4 -4.138 -12.252 1.431 1.00 15.44 O ATOM 0 H GLU A 4 -4.091 -10.447 7.012 1.00 61.01 H new ATOM 0 HA GLU A 4 -2.496 -11.487 4.872 1.00 4.42 H new ATOM 0 HB2 GLU A 4 -4.753 -12.326 5.843 1.00 71.34 H new ATOM 0 HB3 GLU A 4 -5.496 -11.060 4.886 1.00 71.34 H new ATOM 0 HG2 GLU A 4 -3.678 -13.183 3.706 1.00 44.41 H new ATOM 0 HG3 GLU A 4 -5.417 -13.364 3.824 1.00 44.41 H new ATOM 70 N THR A 5 -4.182 -8.685 4.421 1.00 4.32 N ATOM 71 CA THR A 5 -4.308 -7.517 3.557 1.00 23.23 C ATOM 72 C THR A 5 -2.979 -6.782 3.430 1.00 4.23 C ATOM 73 O THR A 5 -2.644 -6.265 2.363 1.00 10.42 O ATOM 74 CB THR A 5 -5.374 -6.540 4.085 1.00 5.50 C ATOM 75 OG1 THR A 5 -6.625 -7.218 4.240 1.00 13.44 O ATOM 76 CG2 THR A 5 -5.544 -5.360 3.139 1.00 64.13 C ATOM 0 H THR A 5 -4.735 -8.638 5.277 1.00 4.32 H new ATOM 0 HA THR A 5 -4.614 -7.881 2.576 1.00 23.23 H new ATOM 0 HB THR A 5 -5.043 -6.164 5.053 1.00 5.50 H new ATOM 0 HG1 THR A 5 -7.306 -6.779 3.689 1.00 13.44 H new ATOM 0 HG21 THR A 5 -6.302 -4.684 3.533 1.00 64.13 H new ATOM 0 HG22 THR A 5 -4.597 -4.829 3.046 1.00 64.13 H new ATOM 0 HG23 THR A 5 -5.855 -5.721 2.159 1.00 64.13 H new ATOM 84 N ILE A 6 -2.224 -6.739 4.522 1.00 35.22 N ATOM 85 CA ILE A 6 -0.930 -6.068 4.531 1.00 33.33 C ATOM 86 C ILE A 6 0.057 -6.763 3.599 1.00 55.20 C ATOM 87 O ILE A 6 0.857 -6.111 2.929 1.00 21.15 O ATOM 88 CB ILE A 6 -0.332 -6.018 5.950 1.00 10.14 C ATOM 89 CG1 ILE A 6 -1.276 -5.280 6.900 1.00 10.11 C ATOM 90 CG2 ILE A 6 1.034 -5.348 5.925 1.00 52.40 C ATOM 91 CD1 ILE A 6 -1.066 -5.632 8.356 1.00 5.22 C ATOM 0 H ILE A 6 -2.486 -7.161 5.413 1.00 35.22 H new ATOM 0 HA ILE A 6 -1.100 -5.050 4.181 1.00 33.33 H new ATOM 0 HB ILE A 6 -0.208 -7.039 6.312 1.00 10.14 H new ATOM 0 HG12 ILE A 6 -1.141 -4.206 6.771 1.00 10.11 H new ATOM 0 HG13 ILE A 6 -2.306 -5.507 6.625 1.00 10.11 H new ATOM 0 HG21 ILE A 6 1.444 -5.320 6.935 1.00 52.40 H new ATOM 0 HG22 ILE A 6 1.704 -5.912 5.277 1.00 52.40 H new ATOM 0 HG23 ILE A 6 0.934 -4.331 5.546 1.00 52.40 H new ATOM 0 HD11 ILE A 6 -1.770 -5.071 8.971 1.00 5.22 H new ATOM 0 HD12 ILE A 6 -1.230 -6.700 8.499 1.00 5.22 H new ATOM 0 HD13 ILE A 6 -0.047 -5.379 8.648 1.00 5.22 H new ATOM 103 N ASP A 7 -0.008 -8.089 3.561 1.00 53.34 N ATOM 104 CA ASP A 7 0.877 -8.873 2.709 1.00 42.34 C ATOM 105 C ASP A 7 0.614 -8.579 1.235 1.00 24.21 C ATOM 106 O ASP A 7 1.545 -8.476 0.436 1.00 45.41 O ATOM 107 CB ASP A 7 0.694 -10.367 2.984 1.00 51.23 C ATOM 108 CG ASP A 7 1.767 -11.213 2.327 1.00 23.11 C ATOM 109 OD1 ASP A 7 1.747 -11.338 1.084 1.00 35.32 O ATOM 110 OD2 ASP A 7 2.628 -11.749 3.056 1.00 53.41 O ATOM 0 H ASP A 7 -0.665 -8.643 4.111 1.00 53.34 H new ATOM 0 HA ASP A 7 1.905 -8.592 2.939 1.00 42.34 H new ATOM 0 HB2 ASP A 7 0.708 -10.540 4.060 1.00 51.23 H new ATOM 0 HB3 ASP A 7 -0.285 -10.683 2.623 1.00 51.23 H new ATOM 115 N LYS A 8 -0.659 -8.446 0.881 1.00 34.25 N ATOM 116 CA LYS A 8 -1.046 -8.164 -0.496 1.00 13.33 C ATOM 117 C LYS A 8 -0.457 -6.836 -0.965 1.00 51.05 C ATOM 118 O LYS A 8 0.123 -6.753 -2.047 1.00 24.02 O ATOM 119 CB LYS A 8 -2.571 -8.129 -0.622 1.00 54.22 C ATOM 120 CG LYS A 8 -3.261 -9.317 0.025 1.00 40.30 C ATOM 121 CD LYS A 8 -4.480 -9.755 -0.770 1.00 55.24 C ATOM 122 CE LYS A 8 -4.082 -10.440 -2.069 1.00 10.35 C ATOM 123 NZ LYS A 8 -3.553 -11.811 -1.833 1.00 34.12 N ATOM 0 H LYS A 8 -1.442 -8.529 1.530 1.00 34.25 H new ATOM 0 HA LYS A 8 -0.653 -8.960 -1.128 1.00 13.33 H new ATOM 0 HB2 LYS A 8 -2.944 -7.211 -0.168 1.00 54.22 H new ATOM 0 HB3 LYS A 8 -2.839 -8.094 -1.678 1.00 54.22 H new ATOM 0 HG2 LYS A 8 -2.560 -10.148 0.104 1.00 40.30 H new ATOM 0 HG3 LYS A 8 -3.562 -9.056 1.040 1.00 40.30 H new ATOM 0 HD2 LYS A 8 -5.083 -10.435 -0.168 1.00 55.24 H new ATOM 0 HD3 LYS A 8 -5.103 -8.888 -0.991 1.00 55.24 H new ATOM 0 HE2 LYS A 8 -4.946 -10.493 -2.731 1.00 10.35 H new ATOM 0 HE3 LYS A 8 -3.326 -9.842 -2.578 1.00 10.35 H new ATOM 0 HZ1 LYS A 8 -2.535 -11.831 -2.044 1.00 34.12 H new ATOM 0 HZ2 LYS A 8 -3.706 -12.076 -0.839 1.00 34.12 H new ATOM 0 HZ3 LYS A 8 -4.048 -12.485 -2.451 1.00 34.12 H new ATOM 137 N VAL A 9 -0.609 -5.803 -0.144 1.00 21.34 N ATOM 138 CA VAL A 9 -0.089 -4.481 -0.473 1.00 44.45 C ATOM 139 C VAL A 9 1.434 -4.486 -0.523 1.00 44.33 C ATOM 140 O VAL A 9 2.033 -4.114 -1.532 1.00 65.32 O ATOM 141 CB VAL A 9 -0.555 -3.425 0.546 1.00 41.54 C ATOM 142 CG1 VAL A 9 -0.066 -2.042 0.143 1.00 23.02 C ATOM 143 CG2 VAL A 9 -2.071 -3.445 0.679 1.00 23.44 C ATOM 0 H VAL A 9 -1.088 -5.856 0.755 1.00 21.34 H new ATOM 0 HA VAL A 9 -0.481 -4.223 -1.457 1.00 44.45 H new ATOM 0 HB VAL A 9 -0.124 -3.668 1.517 1.00 41.54 H new ATOM 0 HG11 VAL A 9 -0.405 -1.309 0.875 1.00 23.02 H new ATOM 0 HG12 VAL A 9 1.023 -2.038 0.103 1.00 23.02 H new ATOM 0 HG13 VAL A 9 -0.466 -1.787 -0.838 1.00 23.02 H new ATOM 0 HG21 VAL A 9 -2.383 -2.692 1.403 1.00 23.44 H new ATOM 0 HG22 VAL A 9 -2.524 -3.227 -0.288 1.00 23.44 H new ATOM 0 HG23 VAL A 9 -2.394 -4.430 1.017 1.00 23.44 H new ATOM 153 N SER A 10 2.055 -4.911 0.572 1.00 71.54 N ATOM 154 CA SER A 10 3.510 -4.963 0.655 1.00 24.13 C ATOM 155 C SER A 10 4.094 -5.734 -0.525 1.00 21.41 C ATOM 156 O SER A 10 5.149 -5.378 -1.052 1.00 73.12 O ATOM 157 CB SER A 10 3.945 -5.612 1.970 1.00 71.54 C ATOM 158 OG SER A 10 4.103 -7.013 1.819 1.00 54.51 O ATOM 0 H SER A 10 1.573 -5.225 1.415 1.00 71.54 H new ATOM 0 HA SER A 10 3.888 -3.941 0.621 1.00 24.13 H new ATOM 0 HB2 SER A 10 4.884 -5.171 2.304 1.00 71.54 H new ATOM 0 HB3 SER A 10 3.204 -5.407 2.743 1.00 71.54 H new ATOM 0 HG SER A 10 4.383 -7.405 2.673 1.00 54.51 H new ATOM 164 N ASP A 11 3.402 -6.792 -0.933 1.00 2.22 N ATOM 165 CA ASP A 11 3.851 -7.614 -2.050 1.00 60.31 C ATOM 166 C ASP A 11 4.003 -6.775 -3.316 1.00 70.10 C ATOM 167 O ASP A 11 4.972 -6.928 -4.060 1.00 22.21 O ATOM 168 CB ASP A 11 2.866 -8.757 -2.297 1.00 72.15 C ATOM 169 CG ASP A 11 3.303 -10.050 -1.637 1.00 73.24 C ATOM 170 OD1 ASP A 11 4.041 -9.984 -0.632 1.00 62.20 O ATOM 171 OD2 ASP A 11 2.906 -11.130 -2.126 1.00 35.44 O ATOM 0 H ASP A 11 2.528 -7.100 -0.507 1.00 2.22 H new ATOM 0 HA ASP A 11 4.824 -8.032 -1.793 1.00 60.31 H new ATOM 0 HB2 ASP A 11 1.883 -8.474 -1.920 1.00 72.15 H new ATOM 0 HB3 ASP A 11 2.762 -8.917 -3.370 1.00 72.15 H new ATOM 176 N ILE A 12 3.040 -5.891 -3.552 1.00 63.11 N ATOM 177 CA ILE A 12 3.068 -5.028 -4.727 1.00 51.45 C ATOM 178 C ILE A 12 4.019 -3.854 -4.525 1.00 34.31 C ATOM 179 O ILE A 12 4.824 -3.535 -5.399 1.00 63.43 O ATOM 180 CB ILE A 12 1.665 -4.487 -5.061 1.00 43.01 C ATOM 181 CG1 ILE A 12 0.690 -5.643 -5.289 1.00 41.13 C ATOM 182 CG2 ILE A 12 1.724 -3.585 -6.285 1.00 75.42 C ATOM 183 CD1 ILE A 12 -0.623 -5.481 -4.556 1.00 0.11 C ATOM 0 H ILE A 12 2.231 -5.753 -2.946 1.00 63.11 H new ATOM 0 HA ILE A 12 3.421 -5.638 -5.558 1.00 51.45 H new ATOM 0 HB ILE A 12 1.307 -3.898 -4.217 1.00 43.01 H new ATOM 0 HG12 ILE A 12 0.491 -5.735 -6.357 1.00 41.13 H new ATOM 0 HG13 ILE A 12 1.162 -6.573 -4.971 1.00 41.13 H new ATOM 0 HG21 ILE A 12 0.725 -3.210 -6.509 1.00 75.42 H new ATOM 0 HG22 ILE A 12 2.391 -2.746 -6.087 1.00 75.42 H new ATOM 0 HG23 ILE A 12 2.098 -4.152 -7.137 1.00 75.42 H new ATOM 0 HD11 ILE A 12 -1.264 -6.338 -4.764 1.00 0.11 H new ATOM 0 HD12 ILE A 12 -0.436 -5.420 -3.484 1.00 0.11 H new ATOM 0 HD13 ILE A 12 -1.116 -4.569 -4.891 1.00 0.11 H new ATOM 195 N VAL A 13 3.922 -3.214 -3.363 1.00 53.42 N ATOM 196 CA VAL A 13 4.775 -2.076 -3.043 1.00 43.44 C ATOM 197 C VAL A 13 6.247 -2.423 -3.234 1.00 23.15 C ATOM 198 O VAL A 13 6.953 -1.779 -4.013 1.00 51.03 O ATOM 199 CB VAL A 13 4.554 -1.598 -1.596 1.00 30.55 C ATOM 200 CG1 VAL A 13 5.365 -0.341 -1.320 1.00 33.15 C ATOM 201 CG2 VAL A 13 3.076 -1.358 -1.334 1.00 15.13 C ATOM 0 H VAL A 13 3.261 -3.465 -2.628 1.00 53.42 H new ATOM 0 HA VAL A 13 4.502 -1.273 -3.728 1.00 43.44 H new ATOM 0 HB VAL A 13 4.897 -2.379 -0.917 1.00 30.55 H new ATOM 0 HG11 VAL A 13 5.197 -0.018 -0.293 1.00 33.15 H new ATOM 0 HG12 VAL A 13 6.424 -0.552 -1.465 1.00 33.15 H new ATOM 0 HG13 VAL A 13 5.056 0.449 -2.004 1.00 33.15 H new ATOM 0 HG21 VAL A 13 2.939 -1.021 -0.307 1.00 15.13 H new ATOM 0 HG22 VAL A 13 2.704 -0.596 -2.019 1.00 15.13 H new ATOM 0 HG23 VAL A 13 2.524 -2.285 -1.488 1.00 15.13 H new ATOM 211 N LYS A 14 6.707 -3.443 -2.519 1.00 73.15 N ATOM 212 CA LYS A 14 8.095 -3.879 -2.610 1.00 50.31 C ATOM 213 C LYS A 14 8.484 -4.158 -4.058 1.00 71.12 C ATOM 214 O LYS A 14 9.636 -3.969 -4.448 1.00 15.42 O ATOM 215 CB LYS A 14 8.314 -5.133 -1.761 1.00 61.01 C ATOM 216 CG LYS A 14 7.623 -6.369 -2.312 1.00 34.22 C ATOM 217 CD LYS A 14 7.359 -7.393 -1.220 1.00 43.32 C ATOM 218 CE LYS A 14 8.652 -7.874 -0.583 1.00 65.04 C ATOM 219 NZ LYS A 14 8.404 -8.888 0.480 1.00 52.21 N ATOM 0 H LYS A 14 6.138 -3.984 -1.869 1.00 73.15 H new ATOM 0 HA LYS A 14 8.727 -3.076 -2.231 1.00 50.31 H new ATOM 0 HB2 LYS A 14 9.384 -5.328 -1.686 1.00 61.01 H new ATOM 0 HB3 LYS A 14 7.952 -4.945 -0.750 1.00 61.01 H new ATOM 0 HG2 LYS A 14 6.681 -6.083 -2.779 1.00 34.22 H new ATOM 0 HG3 LYS A 14 8.241 -6.816 -3.090 1.00 34.22 H new ATOM 0 HD2 LYS A 14 6.717 -6.954 -0.456 1.00 43.32 H new ATOM 0 HD3 LYS A 14 6.821 -8.243 -1.639 1.00 43.32 H new ATOM 0 HE2 LYS A 14 9.297 -8.302 -1.350 1.00 65.04 H new ATOM 0 HE3 LYS A 14 9.185 -7.024 -0.157 1.00 65.04 H new ATOM 0 HZ1 LYS A 14 9.304 -9.140 0.936 1.00 52.21 H new ATOM 0 HZ2 LYS A 14 7.755 -8.494 1.191 1.00 52.21 H new ATOM 0 HZ3 LYS A 14 7.980 -9.738 0.057 1.00 52.21 H new ATOM 233 N GLU A 15 7.516 -4.608 -4.851 1.00 14.23 N ATOM 234 CA GLU A 15 7.759 -4.912 -6.256 1.00 25.31 C ATOM 235 C GLU A 15 8.062 -3.640 -7.042 1.00 43.33 C ATOM 236 O GLU A 15 8.792 -3.668 -8.034 1.00 53.12 O ATOM 237 CB GLU A 15 6.549 -5.625 -6.863 1.00 25.42 C ATOM 238 CG GLU A 15 6.893 -6.492 -8.063 1.00 41.22 C ATOM 239 CD GLU A 15 5.666 -6.913 -8.849 1.00 71.11 C ATOM 240 OE1 GLU A 15 4.929 -7.800 -8.370 1.00 60.41 O ATOM 241 OE2 GLU A 15 5.443 -6.355 -9.943 1.00 0.25 O ATOM 0 H GLU A 15 6.557 -4.770 -4.544 1.00 14.23 H new ATOM 0 HA GLU A 15 8.626 -5.570 -6.315 1.00 25.31 H new ATOM 0 HB2 GLU A 15 6.082 -6.246 -6.098 1.00 25.42 H new ATOM 0 HB3 GLU A 15 5.812 -4.880 -7.163 1.00 25.42 H new ATOM 0 HG2 GLU A 15 7.570 -5.946 -8.719 1.00 41.22 H new ATOM 0 HG3 GLU A 15 7.425 -7.381 -7.724 1.00 41.22 H new ATOM 248 N LYS A 16 7.496 -2.525 -6.594 1.00 73.13 N ATOM 249 CA LYS A 16 7.703 -1.241 -7.254 1.00 63.34 C ATOM 250 C LYS A 16 9.019 -0.609 -6.811 1.00 63.42 C ATOM 251 O LYS A 16 9.603 0.203 -7.531 1.00 63.43 O ATOM 252 CB LYS A 16 6.542 -0.294 -6.949 1.00 3.52 C ATOM 253 CG LYS A 16 5.188 -0.830 -7.383 1.00 23.44 C ATOM 254 CD LYS A 16 5.000 -0.715 -8.886 1.00 14.40 C ATOM 255 CE LYS A 16 4.752 0.726 -9.307 1.00 45.42 C ATOM 256 NZ LYS A 16 4.688 0.867 -10.789 1.00 12.43 N ATOM 0 H LYS A 16 6.889 -2.484 -5.775 1.00 73.13 H new ATOM 0 HA LYS A 16 7.747 -1.416 -8.329 1.00 63.34 H new ATOM 0 HB2 LYS A 16 6.518 -0.096 -5.877 1.00 3.52 H new ATOM 0 HB3 LYS A 16 6.722 0.659 -7.446 1.00 3.52 H new ATOM 0 HG2 LYS A 16 5.095 -1.874 -7.082 1.00 23.44 H new ATOM 0 HG3 LYS A 16 4.397 -0.280 -6.873 1.00 23.44 H new ATOM 0 HD2 LYS A 16 5.885 -1.097 -9.395 1.00 14.40 H new ATOM 0 HD3 LYS A 16 4.160 -1.336 -9.198 1.00 14.40 H new ATOM 0 HE2 LYS A 16 3.818 1.077 -8.868 1.00 45.42 H new ATOM 0 HE3 LYS A 16 5.547 1.361 -8.916 1.00 45.42 H new ATOM 0 HZ1 LYS A 16 3.911 1.509 -11.043 1.00 12.43 H new ATOM 0 HZ2 LYS A 16 5.587 1.255 -11.140 1.00 12.43 H new ATOM 0 HZ3 LYS A 16 4.522 -0.065 -11.220 1.00 12.43 H new ATOM 270 N LEU A 17 9.481 -0.986 -5.625 1.00 30.32 N ATOM 271 CA LEU A 17 10.730 -0.456 -5.086 1.00 71.31 C ATOM 272 C LEU A 17 11.893 -1.397 -5.383 1.00 64.01 C ATOM 273 O LEU A 17 13.057 -1.034 -5.215 1.00 14.03 O ATOM 274 CB LEU A 17 10.606 -0.240 -3.577 1.00 61.21 C ATOM 275 CG LEU A 17 9.315 0.422 -3.097 1.00 75.34 C ATOM 276 CD1 LEU A 17 9.379 0.697 -1.603 1.00 60.50 C ATOM 277 CD2 LEU A 17 9.057 1.709 -3.868 1.00 33.34 C ATOM 0 H LEU A 17 9.010 -1.657 -5.017 1.00 30.32 H new ATOM 0 HA LEU A 17 10.929 0.501 -5.568 1.00 71.31 H new ATOM 0 HB2 LEU A 17 10.700 -1.207 -3.083 1.00 61.21 H new ATOM 0 HB3 LEU A 17 11.447 0.369 -3.247 1.00 61.21 H new ATOM 0 HG LEU A 17 8.487 -0.262 -3.284 1.00 75.34 H new ATOM 0 HD11 LEU A 17 8.451 1.168 -1.280 1.00 60.50 H new ATOM 0 HD12 LEU A 17 9.515 -0.242 -1.066 1.00 60.50 H new ATOM 0 HD13 LEU A 17 10.217 1.362 -1.391 1.00 60.50 H new ATOM 0 HD21 LEU A 17 8.134 2.167 -3.513 1.00 33.34 H new ATOM 0 HD22 LEU A 17 9.887 2.398 -3.713 1.00 33.34 H new ATOM 0 HD23 LEU A 17 8.965 1.484 -4.931 1.00 33.34 H new ATOM 289 N ALA A 18 11.570 -2.607 -5.829 1.00 3.25 N ATOM 290 CA ALA A 18 12.588 -3.597 -6.154 1.00 44.25 C ATOM 291 C ALA A 18 11.956 -4.883 -6.677 1.00 74.15 C ATOM 292 O ALA A 18 10.748 -4.944 -6.908 1.00 10.55 O ATOM 293 CB ALA A 18 13.451 -3.889 -4.935 1.00 2.41 C ATOM 0 H ALA A 18 10.611 -2.924 -5.973 1.00 3.25 H new ATOM 0 HA ALA A 18 13.219 -3.186 -6.942 1.00 44.25 H new ATOM 0 HB1 ALA A 18 14.207 -4.630 -5.194 1.00 2.41 H new ATOM 0 HB2 ALA A 18 13.940 -2.972 -4.607 1.00 2.41 H new ATOM 0 HB3 ALA A 18 12.825 -4.274 -4.130 1.00 2.41 H new ATOM 299 N LEU A 19 12.779 -5.910 -6.860 1.00 50.03 N ATOM 300 CA LEU A 19 12.300 -7.195 -7.356 1.00 62.33 C ATOM 301 C LEU A 19 11.467 -7.911 -6.297 1.00 52.53 C ATOM 302 O LEU A 19 10.653 -8.777 -6.614 1.00 61.54 O ATOM 303 CB LEU A 19 13.480 -8.076 -7.773 1.00 14.04 C ATOM 304 CG LEU A 19 14.231 -7.638 -9.030 1.00 21.54 C ATOM 305 CD1 LEU A 19 15.660 -8.161 -9.007 1.00 0.13 C ATOM 306 CD2 LEU A 19 13.506 -8.116 -10.280 1.00 30.23 C ATOM 0 H LEU A 19 13.781 -5.878 -6.672 1.00 50.03 H new ATOM 0 HA LEU A 19 11.669 -7.008 -8.225 1.00 62.33 H new ATOM 0 HB2 LEU A 19 14.189 -8.116 -6.946 1.00 14.04 H new ATOM 0 HB3 LEU A 19 13.113 -9.091 -7.928 1.00 14.04 H new ATOM 0 HG LEU A 19 14.264 -6.549 -9.049 1.00 21.54 H new ATOM 0 HD11 LEU A 19 16.180 -7.840 -9.910 1.00 0.13 H new ATOM 0 HD12 LEU A 19 16.177 -7.769 -8.131 1.00 0.13 H new ATOM 0 HD13 LEU A 19 15.648 -9.250 -8.964 1.00 0.13 H new ATOM 0 HD21 LEU A 19 14.056 -7.795 -11.165 1.00 30.23 H new ATOM 0 HD22 LEU A 19 13.440 -9.204 -10.269 1.00 30.23 H new ATOM 0 HD23 LEU A 19 12.502 -7.692 -10.303 1.00 30.23 H new ATOM 318 N GLY A 20 11.674 -7.540 -5.037 1.00 2.42 N ATOM 319 CA GLY A 20 10.933 -8.154 -3.951 1.00 64.14 C ATOM 320 C GLY A 20 11.753 -9.186 -3.201 1.00 2.14 C ATOM 321 O GLY A 20 11.421 -9.553 -2.074 1.00 1.33 O ATOM 0 H GLY A 20 12.342 -6.825 -4.749 1.00 2.42 H new ATOM 0 HA2 GLY A 20 10.604 -7.381 -3.257 1.00 64.14 H new ATOM 0 HA3 GLY A 20 10.035 -8.627 -4.349 1.00 64.14 H new ATOM 325 N ALA A 21 12.826 -9.657 -3.828 1.00 12.11 N ATOM 326 CA ALA A 21 13.696 -10.651 -3.213 1.00 74.14 C ATOM 327 C ALA A 21 14.899 -9.993 -2.548 1.00 35.33 C ATOM 328 O ALA A 21 15.485 -10.545 -1.616 1.00 74.25 O ATOM 329 CB ALA A 21 14.153 -11.666 -4.249 1.00 44.25 C ATOM 0 H ALA A 21 13.113 -9.366 -4.762 1.00 12.11 H new ATOM 0 HA ALA A 21 13.126 -11.168 -2.441 1.00 74.14 H new ATOM 0 HB1 ALA A 21 14.802 -12.402 -3.775 1.00 44.25 H new ATOM 0 HB2 ALA A 21 13.284 -12.168 -4.674 1.00 44.25 H new ATOM 0 HB3 ALA A 21 14.701 -11.156 -5.041 1.00 44.25 H new ATOM 335 N ASP A 22 15.262 -8.810 -3.030 1.00 62.21 N ATOM 336 CA ASP A 22 16.396 -8.076 -2.482 1.00 21.24 C ATOM 337 C ASP A 22 15.923 -6.919 -1.607 1.00 41.40 C ATOM 338 O ASP A 22 16.705 -6.039 -1.248 1.00 14.44 O ATOM 339 CB ASP A 22 17.284 -7.549 -3.610 1.00 33.32 C ATOM 340 CG ASP A 22 18.712 -7.309 -3.159 1.00 62.12 C ATOM 341 OD1 ASP A 22 19.457 -8.299 -2.997 1.00 43.30 O ATOM 342 OD2 ASP A 22 19.084 -6.133 -2.970 1.00 74.51 O ATOM 0 H ASP A 22 14.787 -8.339 -3.800 1.00 62.21 H new ATOM 0 HA ASP A 22 16.976 -8.762 -1.864 1.00 21.24 H new ATOM 0 HB2 ASP A 22 17.281 -8.263 -4.434 1.00 33.32 H new ATOM 0 HB3 ASP A 22 16.866 -6.618 -3.993 1.00 33.32 H new ATOM 347 N VAL A 23 14.637 -6.926 -1.270 1.00 72.21 N ATOM 348 CA VAL A 23 14.059 -5.878 -0.438 1.00 54.13 C ATOM 349 C VAL A 23 13.241 -6.471 0.704 1.00 11.05 C ATOM 350 O VAL A 23 12.661 -7.549 0.573 1.00 2.52 O ATOM 351 CB VAL A 23 13.160 -4.938 -1.264 1.00 32.13 C ATOM 352 CG1 VAL A 23 11.955 -5.692 -1.807 1.00 4.35 C ATOM 353 CG2 VAL A 23 12.720 -3.748 -0.425 1.00 21.54 C ATOM 0 H VAL A 23 13.976 -7.646 -1.561 1.00 72.21 H new ATOM 0 HA VAL A 23 14.891 -5.306 -0.027 1.00 54.13 H new ATOM 0 HB VAL A 23 13.736 -4.564 -2.110 1.00 32.13 H new ATOM 0 HG11 VAL A 23 11.332 -5.012 -2.388 1.00 4.35 H new ATOM 0 HG12 VAL A 23 12.294 -6.508 -2.445 1.00 4.35 H new ATOM 0 HG13 VAL A 23 11.375 -6.097 -0.978 1.00 4.35 H new ATOM 0 HG21 VAL A 23 12.086 -3.095 -1.024 1.00 21.54 H new ATOM 0 HG22 VAL A 23 12.161 -4.101 0.442 1.00 21.54 H new ATOM 0 HG23 VAL A 23 13.597 -3.195 -0.090 1.00 21.54 H new ATOM 363 N VAL A 24 13.199 -5.759 1.826 1.00 0.13 N ATOM 364 CA VAL A 24 12.451 -6.213 2.991 1.00 75.50 C ATOM 365 C VAL A 24 11.379 -5.204 3.385 1.00 51.53 C ATOM 366 O VAL A 24 11.683 -4.123 3.891 1.00 64.45 O ATOM 367 CB VAL A 24 13.381 -6.453 4.196 1.00 60.30 C ATOM 368 CG1 VAL A 24 12.579 -6.896 5.410 1.00 73.12 C ATOM 369 CG2 VAL A 24 14.448 -7.480 3.849 1.00 43.10 C ATOM 0 H VAL A 24 13.675 -4.865 1.952 1.00 0.13 H new ATOM 0 HA VAL A 24 11.975 -7.154 2.714 1.00 75.50 H new ATOM 0 HB VAL A 24 13.878 -5.514 4.441 1.00 60.30 H new ATOM 0 HG11 VAL A 24 13.253 -7.061 6.251 1.00 73.12 H new ATOM 0 HG12 VAL A 24 11.856 -6.123 5.670 1.00 73.12 H new ATOM 0 HG13 VAL A 24 12.053 -7.822 5.180 1.00 73.12 H new ATOM 0 HG21 VAL A 24 15.096 -7.637 4.711 1.00 43.10 H new ATOM 0 HG22 VAL A 24 13.972 -8.422 3.577 1.00 43.10 H new ATOM 0 HG23 VAL A 24 15.042 -7.118 3.010 1.00 43.10 H new ATOM 379 N VAL A 25 10.121 -5.563 3.149 1.00 44.40 N ATOM 380 CA VAL A 25 9.001 -4.689 3.480 1.00 44.54 C ATOM 381 C VAL A 25 8.127 -5.303 4.567 1.00 62.02 C ATOM 382 O VAL A 25 7.977 -6.523 4.644 1.00 61.54 O ATOM 383 CB VAL A 25 8.132 -4.398 2.242 1.00 44.23 C ATOM 384 CG1 VAL A 25 7.455 -5.670 1.752 1.00 12.13 C ATOM 385 CG2 VAL A 25 7.103 -3.322 2.554 1.00 71.42 C ATOM 0 H VAL A 25 9.852 -6.453 2.730 1.00 44.40 H new ATOM 0 HA VAL A 25 9.426 -3.754 3.845 1.00 44.54 H new ATOM 0 HB VAL A 25 8.778 -4.030 1.445 1.00 44.23 H new ATOM 0 HG11 VAL A 25 6.846 -5.444 0.877 1.00 12.13 H new ATOM 0 HG12 VAL A 25 8.213 -6.406 1.486 1.00 12.13 H new ATOM 0 HG13 VAL A 25 6.821 -6.072 2.542 1.00 12.13 H new ATOM 0 HG21 VAL A 25 6.498 -3.129 1.668 1.00 71.42 H new ATOM 0 HG22 VAL A 25 6.459 -3.659 3.367 1.00 71.42 H new ATOM 0 HG23 VAL A 25 7.613 -2.406 2.851 1.00 71.42 H new ATOM 395 N THR A 26 7.550 -4.450 5.407 1.00 42.33 N ATOM 396 CA THR A 26 6.691 -4.908 6.492 1.00 3.34 C ATOM 397 C THR A 26 5.708 -3.820 6.910 1.00 72.42 C ATOM 398 O THR A 26 5.833 -2.667 6.502 1.00 20.13 O ATOM 399 CB THR A 26 7.516 -5.338 7.719 1.00 0.22 C ATOM 400 OG1 THR A 26 8.740 -4.597 7.771 1.00 63.12 O ATOM 401 CG2 THR A 26 7.822 -6.827 7.671 1.00 52.13 C ATOM 0 H THR A 26 7.662 -3.437 5.357 1.00 42.33 H new ATOM 0 HA THR A 26 6.138 -5.769 6.116 1.00 3.34 H new ATOM 0 HB THR A 26 6.928 -5.132 8.614 1.00 0.22 H new ATOM 0 HG1 THR A 26 9.258 -4.875 8.555 1.00 63.12 H new ATOM 0 HG21 THR A 26 8.406 -7.107 8.548 1.00 52.13 H new ATOM 0 HG22 THR A 26 6.889 -7.390 7.661 1.00 52.13 H new ATOM 0 HG23 THR A 26 8.391 -7.053 6.769 1.00 52.13 H new ATOM 409 N ALA A 27 4.730 -4.197 7.729 1.00 1.43 N ATOM 410 CA ALA A 27 3.727 -3.253 8.205 1.00 1.52 C ATOM 411 C ALA A 27 4.374 -2.106 8.975 1.00 2.12 C ATOM 412 O ALA A 27 3.812 -1.015 9.071 1.00 62.05 O ATOM 413 CB ALA A 27 2.704 -3.965 9.077 1.00 4.30 C ATOM 0 H ALA A 27 4.612 -5.149 8.076 1.00 1.43 H new ATOM 0 HA ALA A 27 3.219 -2.833 7.337 1.00 1.52 H new ATOM 0 HB1 ALA A 27 1.961 -3.248 9.426 1.00 4.30 H new ATOM 0 HB2 ALA A 27 2.211 -4.745 8.497 1.00 4.30 H new ATOM 0 HB3 ALA A 27 3.206 -4.413 9.935 1.00 4.30 H new ATOM 419 N ASP A 28 5.557 -2.361 9.521 1.00 34.42 N ATOM 420 CA ASP A 28 6.282 -1.349 10.283 1.00 54.03 C ATOM 421 C ASP A 28 7.198 -0.537 9.373 1.00 61.53 C ATOM 422 O ASP A 28 7.611 0.570 9.720 1.00 52.45 O ATOM 423 CB ASP A 28 7.098 -2.007 11.396 1.00 11.35 C ATOM 424 CG ASP A 28 7.500 -1.022 12.478 1.00 2.43 C ATOM 425 OD1 ASP A 28 6.786 -0.013 12.656 1.00 33.12 O ATOM 426 OD2 ASP A 28 8.528 -1.262 13.145 1.00 14.33 O ATOM 0 H ASP A 28 6.035 -3.259 9.451 1.00 34.42 H new ATOM 0 HA ASP A 28 5.553 -0.673 10.730 1.00 54.03 H new ATOM 0 HB2 ASP A 28 6.516 -2.814 11.841 1.00 11.35 H new ATOM 0 HB3 ASP A 28 7.993 -2.458 10.968 1.00 11.35 H new ATOM 431 N SER A 29 7.514 -1.095 8.209 1.00 71.43 N ATOM 432 CA SER A 29 8.386 -0.425 7.252 1.00 31.02 C ATOM 433 C SER A 29 7.657 0.727 6.567 1.00 33.34 C ATOM 434 O SER A 29 6.617 0.532 5.939 1.00 24.03 O ATOM 435 CB SER A 29 8.887 -1.420 6.204 1.00 5.21 C ATOM 436 OG SER A 29 7.894 -1.674 5.225 1.00 25.14 O ATOM 0 H SER A 29 7.179 -2.010 7.906 1.00 71.43 H new ATOM 0 HA SER A 29 9.239 -0.020 7.797 1.00 31.02 H new ATOM 0 HB2 SER A 29 9.783 -1.027 5.724 1.00 5.21 H new ATOM 0 HB3 SER A 29 9.170 -2.354 6.690 1.00 5.21 H new ATOM 0 HG SER A 29 7.009 -1.660 5.646 1.00 25.14 H new ATOM 442 N GLU A 30 8.212 1.929 6.695 1.00 35.10 N ATOM 443 CA GLU A 30 7.614 3.114 6.090 1.00 22.12 C ATOM 444 C GLU A 30 8.044 3.256 4.633 1.00 65.10 C ATOM 445 O GLU A 30 9.202 3.013 4.289 1.00 52.45 O ATOM 446 CB GLU A 30 8.008 4.367 6.874 1.00 53.53 C ATOM 447 CG GLU A 30 7.890 4.205 8.381 1.00 50.42 C ATOM 448 CD GLU A 30 7.576 5.511 9.085 1.00 72.53 C ATOM 449 OE1 GLU A 30 8.352 6.475 8.919 1.00 62.11 O ATOM 450 OE2 GLU A 30 6.556 5.567 9.804 1.00 44.11 O ATOM 0 H GLU A 30 9.073 2.107 7.211 1.00 35.10 H new ATOM 0 HA GLU A 30 6.530 3.000 6.122 1.00 22.12 H new ATOM 0 HB2 GLU A 30 9.035 4.633 6.625 1.00 53.53 H new ATOM 0 HB3 GLU A 30 7.378 5.197 6.556 1.00 53.53 H new ATOM 0 HG2 GLU A 30 7.108 3.479 8.605 1.00 50.42 H new ATOM 0 HG3 GLU A 30 8.823 3.800 8.773 1.00 50.42 H new ATOM 457 N PHE A 31 7.105 3.652 3.781 1.00 65.15 N ATOM 458 CA PHE A 31 7.386 3.826 2.360 1.00 64.12 C ATOM 459 C PHE A 31 8.608 4.716 2.152 1.00 15.32 C ATOM 460 O PHE A 31 9.361 4.540 1.195 1.00 71.30 O ATOM 461 CB PHE A 31 6.173 4.430 1.649 1.00 60.45 C ATOM 462 CG PHE A 31 4.936 3.584 1.752 1.00 71.03 C ATOM 463 CD1 PHE A 31 4.816 2.416 1.017 1.00 62.12 C ATOM 464 CD2 PHE A 31 3.892 3.958 2.583 1.00 42.14 C ATOM 465 CE1 PHE A 31 3.679 1.635 1.109 1.00 42.20 C ATOM 466 CE2 PHE A 31 2.753 3.182 2.680 1.00 75.10 C ATOM 467 CZ PHE A 31 2.646 2.020 1.942 1.00 42.13 C ATOM 0 H PHE A 31 6.143 3.859 4.049 1.00 65.15 H new ATOM 0 HA PHE A 31 7.597 2.845 1.934 1.00 64.12 H new ATOM 0 HB2 PHE A 31 5.967 5.414 2.071 1.00 60.45 H new ATOM 0 HB3 PHE A 31 6.415 4.579 0.597 1.00 60.45 H new ATOM 0 HD1 PHE A 31 5.621 2.112 0.364 1.00 62.12 H new ATOM 0 HD2 PHE A 31 3.970 4.867 3.162 1.00 42.14 H new ATOM 0 HE1 PHE A 31 3.598 0.726 0.531 1.00 42.20 H new ATOM 0 HE2 PHE A 31 1.947 3.484 3.332 1.00 75.10 H new ATOM 0 HZ PHE A 31 1.756 1.413 2.016 1.00 42.13 H new ATOM 477 N SER A 32 8.794 5.674 3.055 1.00 63.13 N ATOM 478 CA SER A 32 9.921 6.595 2.968 1.00 20.13 C ATOM 479 C SER A 32 11.240 5.865 3.205 1.00 10.40 C ATOM 480 O SER A 32 12.246 6.150 2.555 1.00 63.11 O ATOM 481 CB SER A 32 9.761 7.726 3.987 1.00 22.33 C ATOM 482 OG SER A 32 10.460 8.887 3.573 1.00 31.12 O ATOM 0 H SER A 32 8.180 5.832 3.854 1.00 63.13 H new ATOM 0 HA SER A 32 9.936 7.018 1.964 1.00 20.13 H new ATOM 0 HB2 SER A 32 8.704 7.960 4.113 1.00 22.33 H new ATOM 0 HB3 SER A 32 10.133 7.400 4.958 1.00 22.33 H new ATOM 0 HG SER A 32 10.341 9.596 4.239 1.00 31.12 H new ATOM 488 N LYS A 33 11.226 4.921 4.139 1.00 25.44 N ATOM 489 CA LYS A 33 12.419 4.147 4.463 1.00 24.33 C ATOM 490 C LYS A 33 12.678 3.079 3.405 1.00 4.53 C ATOM 491 O LYS A 33 13.828 2.753 3.105 1.00 11.44 O ATOM 492 CB LYS A 33 12.271 3.493 5.838 1.00 60.52 C ATOM 493 CG LYS A 33 12.399 4.470 6.994 1.00 14.41 C ATOM 494 CD LYS A 33 12.013 3.825 8.314 1.00 21.42 C ATOM 495 CE LYS A 33 12.787 4.429 9.476 1.00 12.33 C ATOM 496 NZ LYS A 33 12.076 5.598 10.066 1.00 21.15 N ATOM 0 H LYS A 33 10.401 4.673 4.686 1.00 25.44 H new ATOM 0 HA LYS A 33 13.269 4.829 4.482 1.00 24.33 H new ATOM 0 HB2 LYS A 33 11.300 3.002 5.895 1.00 60.52 H new ATOM 0 HB3 LYS A 33 13.028 2.716 5.945 1.00 60.52 H new ATOM 0 HG2 LYS A 33 13.425 4.834 7.052 1.00 14.41 H new ATOM 0 HG3 LYS A 33 11.763 5.336 6.812 1.00 14.41 H new ATOM 0 HD2 LYS A 33 10.944 3.951 8.483 1.00 21.42 H new ATOM 0 HD3 LYS A 33 12.204 2.753 8.266 1.00 21.42 H new ATOM 0 HE2 LYS A 33 12.940 3.671 10.244 1.00 12.33 H new ATOM 0 HE3 LYS A 33 13.774 4.739 9.133 1.00 12.33 H new ATOM 0 HZ1 LYS A 33 12.635 5.982 10.855 1.00 21.15 H new ATOM 0 HZ2 LYS A 33 11.952 6.332 9.340 1.00 21.15 H new ATOM 0 HZ3 LYS A 33 11.144 5.297 10.416 1.00 21.15 H new ATOM 510 N LEU A 34 11.604 2.538 2.842 1.00 44.32 N ATOM 511 CA LEU A 34 11.715 1.507 1.815 1.00 11.24 C ATOM 512 C LEU A 34 12.331 2.073 0.540 1.00 72.05 C ATOM 513 O LEU A 34 12.844 1.330 -0.296 1.00 52.53 O ATOM 514 CB LEU A 34 10.338 0.913 1.511 1.00 42.00 C ATOM 515 CG LEU A 34 9.628 0.230 2.680 1.00 22.42 C ATOM 516 CD1 LEU A 34 8.170 -0.035 2.338 1.00 65.43 C ATOM 517 CD2 LEU A 34 10.335 -1.066 3.049 1.00 21.31 C ATOM 0 H LEU A 34 10.646 2.796 3.079 1.00 44.32 H new ATOM 0 HA LEU A 34 12.368 0.720 2.193 1.00 11.24 H new ATOM 0 HB2 LEU A 34 9.695 1.710 1.137 1.00 42.00 H new ATOM 0 HB3 LEU A 34 10.447 0.188 0.705 1.00 42.00 H new ATOM 0 HG LEU A 34 9.662 0.898 3.541 1.00 22.42 H new ATOM 0 HD11 LEU A 34 7.681 -0.522 3.182 1.00 65.43 H new ATOM 0 HD12 LEU A 34 7.669 0.909 2.123 1.00 65.43 H new ATOM 0 HD13 LEU A 34 8.113 -0.683 1.463 1.00 65.43 H new ATOM 0 HD21 LEU A 34 9.816 -1.539 3.883 1.00 21.31 H new ATOM 0 HD22 LEU A 34 10.332 -1.739 2.191 1.00 21.31 H new ATOM 0 HD23 LEU A 34 11.364 -0.850 3.337 1.00 21.31 H new ATOM 529 N GLY A 35 12.278 3.394 0.398 1.00 30.41 N ATOM 530 CA GLY A 35 12.837 4.037 -0.777 1.00 54.40 C ATOM 531 C GLY A 35 11.777 4.699 -1.634 1.00 50.43 C ATOM 532 O GLY A 35 12.094 5.410 -2.587 1.00 33.12 O ATOM 0 H GLY A 35 11.858 4.030 1.076 1.00 30.41 H new ATOM 0 HA2 GLY A 35 13.567 4.784 -0.466 1.00 54.40 H new ATOM 0 HA3 GLY A 35 13.372 3.297 -1.373 1.00 54.40 H new ATOM 536 N ALA A 36 10.513 4.462 -1.297 1.00 0.43 N ATOM 537 CA ALA A 36 9.402 5.041 -2.043 1.00 30.40 C ATOM 538 C ALA A 36 9.078 6.445 -1.544 1.00 13.54 C ATOM 539 O ALA A 36 8.568 6.619 -0.437 1.00 61.40 O ATOM 540 CB ALA A 36 8.175 4.147 -1.942 1.00 24.02 C ATOM 0 H ALA A 36 10.233 3.873 -0.513 1.00 0.43 H new ATOM 0 HA ALA A 36 9.699 5.115 -3.089 1.00 30.40 H new ATOM 0 HB1 ALA A 36 7.354 4.592 -2.504 1.00 24.02 H new ATOM 0 HB2 ALA A 36 8.406 3.164 -2.354 1.00 24.02 H new ATOM 0 HB3 ALA A 36 7.885 4.043 -0.896 1.00 24.02 H new ATOM 546 N ASP A 37 9.378 7.444 -2.367 1.00 52.11 N ATOM 547 CA ASP A 37 9.117 8.834 -2.009 1.00 20.54 C ATOM 548 C ASP A 37 7.712 9.250 -2.430 1.00 62.14 C ATOM 549 O ASP A 37 6.937 8.436 -2.932 1.00 51.41 O ATOM 550 CB ASP A 37 10.152 9.753 -2.660 1.00 31.45 C ATOM 551 CG ASP A 37 11.540 9.565 -2.080 1.00 42.53 C ATOM 552 OD1 ASP A 37 11.868 8.427 -1.681 1.00 14.15 O ATOM 553 OD2 ASP A 37 12.300 10.555 -2.027 1.00 75.13 O ATOM 0 H ASP A 37 9.802 7.318 -3.286 1.00 52.11 H new ATOM 0 HA ASP A 37 9.193 8.924 -0.925 1.00 20.54 H new ATOM 0 HB2 ASP A 37 10.181 9.561 -3.733 1.00 31.45 H new ATOM 0 HB3 ASP A 37 9.845 10.791 -2.530 1.00 31.45 H new ATOM 558 N SER A 38 7.389 10.522 -2.222 1.00 13.12 N ATOM 559 CA SER A 38 6.075 11.045 -2.576 1.00 11.44 C ATOM 560 C SER A 38 5.791 10.841 -4.061 1.00 12.31 C ATOM 561 O SER A 38 4.635 10.810 -4.487 1.00 32.45 O ATOM 562 CB SER A 38 5.984 12.532 -2.227 1.00 13.53 C ATOM 563 OG SER A 38 4.760 13.087 -2.678 1.00 2.43 O ATOM 0 H SER A 38 8.019 11.210 -1.810 1.00 13.12 H new ATOM 0 HA SER A 38 5.327 10.498 -2.003 1.00 11.44 H new ATOM 0 HB2 SER A 38 6.070 12.662 -1.148 1.00 13.53 H new ATOM 0 HB3 SER A 38 6.819 13.067 -2.680 1.00 13.53 H new ATOM 0 HG SER A 38 4.725 14.037 -2.442 1.00 2.43 H new ATOM 569 N LEU A 39 6.854 10.703 -4.847 1.00 13.42 N ATOM 570 CA LEU A 39 6.721 10.503 -6.285 1.00 50.25 C ATOM 571 C LEU A 39 6.396 9.046 -6.604 1.00 12.52 C ATOM 572 O LEU A 39 5.645 8.757 -7.536 1.00 20.12 O ATOM 573 CB LEU A 39 8.009 10.917 -6.999 1.00 54.30 C ATOM 574 CG LEU A 39 8.421 12.382 -6.843 1.00 71.52 C ATOM 575 CD1 LEU A 39 9.452 12.530 -5.735 1.00 4.53 C ATOM 576 CD2 LEU A 39 8.963 12.926 -8.156 1.00 5.32 C ATOM 0 H LEU A 39 7.817 10.726 -4.512 1.00 13.42 H new ATOM 0 HA LEU A 39 5.900 11.126 -6.639 1.00 50.25 H new ATOM 0 HB2 LEU A 39 8.822 10.291 -6.632 1.00 54.30 H new ATOM 0 HB3 LEU A 39 7.897 10.703 -8.062 1.00 54.30 H new ATOM 0 HG LEU A 39 7.539 12.962 -6.570 1.00 71.52 H new ATOM 0 HD11 LEU A 39 9.734 13.578 -5.638 1.00 4.53 H new ATOM 0 HD12 LEU A 39 9.028 12.180 -4.794 1.00 4.53 H new ATOM 0 HD13 LEU A 39 10.335 11.938 -5.978 1.00 4.53 H new ATOM 0 HD21 LEU A 39 9.251 13.969 -8.026 1.00 5.32 H new ATOM 0 HD22 LEU A 39 9.833 12.344 -8.459 1.00 5.32 H new ATOM 0 HD23 LEU A 39 8.193 12.855 -8.925 1.00 5.32 H new ATOM 588 N ASP A 40 6.963 8.135 -5.823 1.00 71.42 N ATOM 589 CA ASP A 40 6.732 6.708 -6.018 1.00 43.43 C ATOM 590 C ASP A 40 5.410 6.280 -5.388 1.00 2.04 C ATOM 591 O ASP A 40 4.734 5.380 -5.887 1.00 34.34 O ATOM 592 CB ASP A 40 7.882 5.896 -5.423 1.00 3.10 C ATOM 593 CG ASP A 40 8.989 5.638 -6.426 1.00 2.23 C ATOM 594 OD1 ASP A 40 8.921 6.195 -7.542 1.00 12.14 O ATOM 595 OD2 ASP A 40 9.924 4.880 -6.095 1.00 23.42 O ATOM 0 H ASP A 40 7.587 8.359 -5.048 1.00 71.42 H new ATOM 0 HA ASP A 40 6.681 6.517 -7.090 1.00 43.43 H new ATOM 0 HB2 ASP A 40 8.291 6.427 -4.564 1.00 3.10 H new ATOM 0 HB3 ASP A 40 7.499 4.944 -5.056 1.00 3.10 H new ATOM 600 N THR A 41 5.048 6.931 -4.287 1.00 33.54 N ATOM 601 CA THR A 41 3.810 6.617 -3.586 1.00 13.21 C ATOM 602 C THR A 41 2.629 6.570 -4.550 1.00 15.22 C ATOM 603 O THR A 41 1.820 5.644 -4.511 1.00 52.44 O ATOM 604 CB THR A 41 3.513 7.647 -2.479 1.00 45.31 C ATOM 605 OG1 THR A 41 4.704 7.919 -1.732 1.00 50.04 O ATOM 606 CG2 THR A 41 2.426 7.139 -1.544 1.00 12.45 C ATOM 0 H THR A 41 5.595 7.679 -3.862 1.00 33.54 H new ATOM 0 HA THR A 41 3.945 5.635 -3.132 1.00 13.21 H new ATOM 0 HB THR A 41 3.163 8.565 -2.951 1.00 45.31 H new ATOM 0 HG1 THR A 41 5.334 8.419 -2.292 1.00 50.04 H new ATOM 0 HG21 THR A 41 2.234 7.883 -0.771 1.00 12.45 H new ATOM 0 HG22 THR A 41 1.512 6.961 -2.111 1.00 12.45 H new ATOM 0 HG23 THR A 41 2.752 6.209 -1.079 1.00 12.45 H new ATOM 614 N VAL A 42 2.537 7.575 -5.415 1.00 11.23 N ATOM 615 CA VAL A 42 1.456 7.648 -6.391 1.00 33.31 C ATOM 616 C VAL A 42 1.359 6.359 -7.199 1.00 4.13 C ATOM 617 O VAL A 42 0.269 5.935 -7.580 1.00 54.02 O ATOM 618 CB VAL A 42 1.649 8.833 -7.354 1.00 15.51 C ATOM 619 CG1 VAL A 42 2.853 8.602 -8.253 1.00 72.13 C ATOM 620 CG2 VAL A 42 0.391 9.056 -8.182 1.00 34.24 C ATOM 0 H VAL A 42 3.198 8.350 -5.460 1.00 11.23 H new ATOM 0 HA VAL A 42 0.532 7.793 -5.831 1.00 33.31 H new ATOM 0 HB VAL A 42 1.834 9.731 -6.764 1.00 15.51 H new ATOM 0 HG11 VAL A 42 2.972 9.451 -8.926 1.00 72.13 H new ATOM 0 HG12 VAL A 42 3.749 8.495 -7.641 1.00 72.13 H new ATOM 0 HG13 VAL A 42 2.702 7.694 -8.837 1.00 72.13 H new ATOM 0 HG21 VAL A 42 0.545 9.897 -8.858 1.00 34.24 H new ATOM 0 HG22 VAL A 42 0.174 8.159 -8.763 1.00 34.24 H new ATOM 0 HG23 VAL A 42 -0.447 9.271 -7.519 1.00 34.24 H new ATOM 630 N GLU A 43 2.508 5.742 -7.459 1.00 3.30 N ATOM 631 CA GLU A 43 2.552 4.502 -8.224 1.00 71.21 C ATOM 632 C GLU A 43 2.094 3.321 -7.373 1.00 25.33 C ATOM 633 O GLU A 43 1.563 2.338 -7.890 1.00 21.32 O ATOM 634 CB GLU A 43 3.967 4.249 -8.748 1.00 31.43 C ATOM 635 CG GLU A 43 4.048 4.156 -10.263 1.00 74.41 C ATOM 636 CD GLU A 43 4.567 5.430 -10.899 1.00 12.44 C ATOM 637 OE1 GLU A 43 4.498 6.491 -10.242 1.00 52.30 O ATOM 638 OE2 GLU A 43 5.041 5.369 -12.052 1.00 54.25 O ATOM 0 H GLU A 43 3.420 6.081 -7.151 1.00 3.30 H new ATOM 0 HA GLU A 43 1.872 4.603 -9.070 1.00 71.21 H new ATOM 0 HB2 GLU A 43 4.621 5.051 -8.406 1.00 31.43 H new ATOM 0 HB3 GLU A 43 4.346 3.323 -8.315 1.00 31.43 H new ATOM 0 HG2 GLU A 43 4.699 3.326 -10.538 1.00 74.41 H new ATOM 0 HG3 GLU A 43 3.059 3.932 -10.663 1.00 74.41 H new ATOM 645 N ILE A 44 2.306 3.425 -6.065 1.00 22.52 N ATOM 646 CA ILE A 44 1.916 2.367 -5.142 1.00 12.11 C ATOM 647 C ILE A 44 0.399 2.268 -5.029 1.00 14.22 C ATOM 648 O ILE A 44 -0.153 1.180 -4.860 1.00 10.11 O ATOM 649 CB ILE A 44 2.510 2.596 -3.739 1.00 51.10 C ATOM 650 CG1 ILE A 44 4.001 2.925 -3.841 1.00 73.43 C ATOM 651 CG2 ILE A 44 2.291 1.371 -2.865 1.00 34.42 C ATOM 652 CD1 ILE A 44 4.775 1.956 -4.706 1.00 3.03 C ATOM 0 H ILE A 44 2.746 4.231 -5.621 1.00 22.52 H new ATOM 0 HA ILE A 44 2.310 1.435 -5.547 1.00 12.11 H new ATOM 0 HB ILE A 44 2.001 3.442 -3.278 1.00 51.10 H new ATOM 0 HG12 ILE A 44 4.116 3.931 -4.244 1.00 73.43 H new ATOM 0 HG13 ILE A 44 4.433 2.931 -2.840 1.00 73.43 H new ATOM 0 HG21 ILE A 44 2.716 1.548 -1.877 1.00 34.42 H new ATOM 0 HG22 ILE A 44 1.222 1.178 -2.771 1.00 34.42 H new ATOM 0 HG23 ILE A 44 2.777 0.508 -3.320 1.00 34.42 H new ATOM 0 HD11 ILE A 44 5.824 2.250 -4.733 1.00 3.03 H new ATOM 0 HD12 ILE A 44 4.691 0.951 -4.292 1.00 3.03 H new ATOM 0 HD13 ILE A 44 4.369 1.967 -5.718 1.00 3.03 H new ATOM 664 N VAL A 45 -0.273 3.411 -5.125 1.00 43.40 N ATOM 665 CA VAL A 45 -1.728 3.454 -5.037 1.00 24.50 C ATOM 666 C VAL A 45 -2.371 2.881 -6.294 1.00 42.35 C ATOM 667 O VAL A 45 -3.158 1.937 -6.226 1.00 55.04 O ATOM 668 CB VAL A 45 -2.234 4.893 -4.824 1.00 50.35 C ATOM 669 CG1 VAL A 45 -3.745 4.904 -4.640 1.00 1.22 C ATOM 670 CG2 VAL A 45 -1.539 5.532 -3.633 1.00 32.54 C ATOM 0 H VAL A 45 0.168 4.320 -5.264 1.00 43.40 H new ATOM 0 HA VAL A 45 -2.012 2.846 -4.178 1.00 24.50 H new ATOM 0 HB VAL A 45 -1.995 5.480 -5.711 1.00 50.35 H new ATOM 0 HG11 VAL A 45 -4.086 5.928 -4.491 1.00 1.22 H new ATOM 0 HG12 VAL A 45 -4.223 4.488 -5.527 1.00 1.22 H new ATOM 0 HG13 VAL A 45 -4.010 4.303 -3.770 1.00 1.22 H new ATOM 0 HG21 VAL A 45 -1.909 6.548 -3.498 1.00 32.54 H new ATOM 0 HG22 VAL A 45 -1.745 4.949 -2.736 1.00 32.54 H new ATOM 0 HG23 VAL A 45 -0.464 5.558 -3.810 1.00 32.54 H new ATOM 680 N MET A 46 -2.030 3.456 -7.443 1.00 31.13 N ATOM 681 CA MET A 46 -2.574 3.001 -8.717 1.00 55.20 C ATOM 682 C MET A 46 -2.392 1.495 -8.879 1.00 20.40 C ATOM 683 O MET A 46 -3.248 0.814 -9.442 1.00 70.40 O ATOM 684 CB MET A 46 -1.898 3.736 -9.876 1.00 42.42 C ATOM 685 CG MET A 46 -0.414 3.437 -10.001 1.00 24.55 C ATOM 686 SD MET A 46 0.353 4.297 -11.390 1.00 74.13 S ATOM 687 CE MET A 46 -0.111 5.990 -11.038 1.00 73.14 C ATOM 0 H MET A 46 -1.379 4.238 -7.518 1.00 31.13 H new ATOM 0 HA MET A 46 -3.641 3.223 -8.728 1.00 55.20 H new ATOM 0 HB2 MET A 46 -2.395 3.464 -10.807 1.00 42.42 H new ATOM 0 HB3 MET A 46 -2.034 4.809 -9.744 1.00 42.42 H new ATOM 0 HG2 MET A 46 0.090 3.724 -9.078 1.00 24.55 H new ATOM 0 HG3 MET A 46 -0.272 2.363 -10.121 1.00 24.55 H new ATOM 0 HE1 MET A 46 0.687 6.660 -11.359 1.00 73.14 H new ATOM 0 HE2 MET A 46 -1.028 6.235 -11.574 1.00 73.14 H new ATOM 0 HE3 MET A 46 -0.274 6.107 -9.967 1.00 73.14 H new ATOM 697 N ASN A 47 -1.270 0.983 -8.381 1.00 71.13 N ATOM 698 CA ASN A 47 -0.976 -0.443 -8.472 1.00 1.44 C ATOM 699 C ASN A 47 -1.926 -1.251 -7.594 1.00 74.22 C ATOM 700 O ASN A 47 -2.333 -2.357 -7.955 1.00 32.34 O ATOM 701 CB ASN A 47 0.473 -0.713 -8.059 1.00 34.02 C ATOM 702 CG ASN A 47 1.405 -0.811 -9.251 1.00 62.33 C ATOM 703 OD1 ASN A 47 1.862 -1.897 -9.607 1.00 43.22 O ATOM 704 ND2 ASN A 47 1.692 0.326 -9.873 1.00 50.31 N ATOM 0 H ASN A 47 -0.551 1.533 -7.911 1.00 71.13 H new ATOM 0 HA ASN A 47 -1.115 -0.753 -9.508 1.00 1.44 H new ATOM 0 HB2 ASN A 47 0.814 0.084 -7.399 1.00 34.02 H new ATOM 0 HB3 ASN A 47 0.519 -1.641 -7.488 1.00 34.02 H new ATOM 0 HD21 ASN A 47 2.314 0.322 -10.681 1.00 50.31 H new ATOM 0 HD22 ASN A 47 1.290 1.203 -9.543 1.00 50.31 H new ATOM 711 N LEU A 48 -2.276 -0.694 -6.441 1.00 12.33 N ATOM 712 CA LEU A 48 -3.180 -1.362 -5.510 1.00 5.21 C ATOM 713 C LEU A 48 -4.621 -1.294 -6.006 1.00 23.02 C ATOM 714 O LEU A 48 -5.357 -2.276 -5.938 1.00 55.12 O ATOM 715 CB LEU A 48 -3.076 -0.726 -4.123 1.00 71.43 C ATOM 716 CG LEU A 48 -1.765 -0.963 -3.372 1.00 61.12 C ATOM 717 CD1 LEU A 48 -1.588 0.066 -2.267 1.00 0.30 C ATOM 718 CD2 LEU A 48 -1.724 -2.374 -2.802 1.00 53.21 C ATOM 0 H LEU A 48 -1.948 0.219 -6.127 1.00 12.33 H new ATOM 0 HA LEU A 48 -2.886 -2.410 -5.446 1.00 5.21 H new ATOM 0 HB2 LEU A 48 -3.223 0.349 -4.226 1.00 71.43 H new ATOM 0 HB3 LEU A 48 -3.895 -1.102 -3.510 1.00 71.43 H new ATOM 0 HG LEU A 48 -0.941 -0.853 -4.077 1.00 61.12 H new ATOM 0 HD11 LEU A 48 -0.650 -0.119 -1.744 1.00 0.30 H new ATOM 0 HD12 LEU A 48 -1.571 1.066 -2.700 1.00 0.30 H new ATOM 0 HD13 LEU A 48 -2.417 -0.010 -1.563 1.00 0.30 H new ATOM 0 HD21 LEU A 48 -0.784 -2.525 -2.271 1.00 53.21 H new ATOM 0 HD22 LEU A 48 -2.557 -2.512 -2.112 1.00 53.21 H new ATOM 0 HD23 LEU A 48 -1.802 -3.097 -3.614 1.00 53.21 H new ATOM 730 N GLU A 49 -5.014 -0.127 -6.508 1.00 12.40 N ATOM 731 CA GLU A 49 -6.366 0.068 -7.017 1.00 41.41 C ATOM 732 C GLU A 49 -6.700 -0.970 -8.084 1.00 44.54 C ATOM 733 O GLU A 49 -7.833 -1.443 -8.172 1.00 52.13 O ATOM 734 CB GLU A 49 -6.520 1.477 -7.594 1.00 61.25 C ATOM 735 CG GLU A 49 -6.778 2.541 -6.541 1.00 23.12 C ATOM 736 CD GLU A 49 -6.313 3.917 -6.976 1.00 11.14 C ATOM 737 OE1 GLU A 49 -5.092 4.099 -7.168 1.00 21.11 O ATOM 738 OE2 GLU A 49 -7.171 4.813 -7.124 1.00 44.01 O ATOM 0 H GLU A 49 -4.416 0.696 -6.573 1.00 12.40 H new ATOM 0 HA GLU A 49 -7.061 -0.054 -6.186 1.00 41.41 H new ATOM 0 HB2 GLU A 49 -5.616 1.735 -8.146 1.00 61.25 H new ATOM 0 HB3 GLU A 49 -7.342 1.479 -8.310 1.00 61.25 H new ATOM 0 HG2 GLU A 49 -7.844 2.576 -6.318 1.00 23.12 H new ATOM 0 HG3 GLU A 49 -6.269 2.264 -5.618 1.00 23.12 H new ATOM 745 N GLU A 50 -5.706 -1.319 -8.895 1.00 3.14 N ATOM 746 CA GLU A 50 -5.895 -2.298 -9.958 1.00 64.23 C ATOM 747 C GLU A 50 -5.965 -3.712 -9.388 1.00 51.11 C ATOM 748 O GLU A 50 -6.640 -4.581 -9.939 1.00 42.13 O ATOM 749 CB GLU A 50 -4.758 -2.204 -10.978 1.00 73.11 C ATOM 750 CG GLU A 50 -4.996 -3.027 -12.233 1.00 13.11 C ATOM 751 CD GLU A 50 -3.846 -2.934 -13.217 1.00 62.21 C ATOM 752 OE1 GLU A 50 -2.899 -3.739 -13.100 1.00 21.40 O ATOM 753 OE2 GLU A 50 -3.895 -2.057 -14.106 1.00 73.15 O ATOM 0 H GLU A 50 -4.762 -0.938 -8.836 1.00 3.14 H new ATOM 0 HA GLU A 50 -6.839 -2.077 -10.456 1.00 64.23 H new ATOM 0 HB2 GLU A 50 -4.619 -1.160 -11.259 1.00 73.11 H new ATOM 0 HB3 GLU A 50 -3.831 -2.534 -10.508 1.00 73.11 H new ATOM 0 HG2 GLU A 50 -5.149 -4.070 -11.956 1.00 13.11 H new ATOM 0 HG3 GLU A 50 -5.912 -2.688 -12.717 1.00 13.11 H new ATOM 760 N GLU A 51 -5.262 -3.934 -8.282 1.00 34.43 N ATOM 761 CA GLU A 51 -5.243 -5.242 -7.638 1.00 62.11 C ATOM 762 C GLU A 51 -6.574 -5.528 -6.949 1.00 11.32 C ATOM 763 O GLU A 51 -7.180 -6.580 -7.155 1.00 25.21 O ATOM 764 CB GLU A 51 -4.103 -5.318 -6.622 1.00 34.43 C ATOM 765 CG GLU A 51 -3.756 -6.737 -6.200 1.00 4.00 C ATOM 766 CD GLU A 51 -4.744 -7.307 -5.203 1.00 75.54 C ATOM 767 OE1 GLU A 51 -5.264 -6.533 -4.372 1.00 14.21 O ATOM 768 OE2 GLU A 51 -4.998 -8.530 -5.251 1.00 4.54 O ATOM 0 H GLU A 51 -4.698 -3.225 -7.813 1.00 34.43 H new ATOM 0 HA GLU A 51 -5.083 -5.996 -8.409 1.00 62.11 H new ATOM 0 HB2 GLU A 51 -3.217 -4.848 -7.048 1.00 34.43 H new ATOM 0 HB3 GLU A 51 -4.376 -4.742 -5.738 1.00 34.43 H new ATOM 0 HG2 GLU A 51 -3.725 -7.377 -7.082 1.00 4.00 H new ATOM 0 HG3 GLU A 51 -2.757 -6.748 -5.763 1.00 4.00 H new ATOM 775 N PHE A 52 -7.024 -4.585 -6.129 1.00 14.25 N ATOM 776 CA PHE A 52 -8.282 -4.734 -5.407 1.00 62.42 C ATOM 777 C PHE A 52 -9.440 -4.141 -6.203 1.00 45.33 C ATOM 778 O PHE A 52 -10.561 -4.039 -5.708 1.00 35.22 O ATOM 779 CB PHE A 52 -8.192 -4.060 -4.036 1.00 51.23 C ATOM 780 CG PHE A 52 -7.069 -4.580 -3.185 1.00 24.11 C ATOM 781 CD1 PHE A 52 -7.248 -5.696 -2.384 1.00 42.13 C ATOM 782 CD2 PHE A 52 -5.834 -3.951 -3.186 1.00 33.41 C ATOM 783 CE1 PHE A 52 -6.217 -6.176 -1.599 1.00 65.14 C ATOM 784 CE2 PHE A 52 -4.799 -4.428 -2.404 1.00 3.12 C ATOM 785 CZ PHE A 52 -4.991 -5.542 -1.609 1.00 0.14 C ATOM 0 H PHE A 52 -6.536 -3.708 -5.947 1.00 14.25 H new ATOM 0 HA PHE A 52 -8.468 -5.799 -5.268 1.00 62.42 H new ATOM 0 HB2 PHE A 52 -8.065 -2.987 -4.175 1.00 51.23 H new ATOM 0 HB3 PHE A 52 -9.134 -4.203 -3.507 1.00 51.23 H new ATOM 0 HD1 PHE A 52 -8.205 -6.197 -2.373 1.00 42.13 H new ATOM 0 HD2 PHE A 52 -5.679 -3.079 -3.804 1.00 33.41 H new ATOM 0 HE1 PHE A 52 -6.370 -7.046 -0.978 1.00 65.14 H new ATOM 0 HE2 PHE A 52 -3.841 -3.930 -2.414 1.00 3.12 H new ATOM 0 HZ PHE A 52 -4.183 -5.916 -0.997 1.00 0.14 H new ATOM 795 N GLY A 53 -9.160 -3.750 -7.443 1.00 24.10 N ATOM 796 CA GLY A 53 -10.186 -3.170 -8.288 1.00 43.25 C ATOM 797 C GLY A 53 -10.915 -2.025 -7.614 1.00 23.33 C ATOM 798 O GLY A 53 -12.107 -1.819 -7.842 1.00 74.12 O ATOM 0 H GLY A 53 -8.240 -3.825 -7.877 1.00 24.10 H new ATOM 0 HA2 GLY A 53 -9.732 -2.813 -9.212 1.00 43.25 H new ATOM 0 HA3 GLY A 53 -10.905 -3.942 -8.563 1.00 43.25 H new ATOM 802 N ILE A 54 -10.197 -1.279 -6.781 1.00 14.42 N ATOM 803 CA ILE A 54 -10.783 -0.148 -6.072 1.00 74.52 C ATOM 804 C ILE A 54 -10.314 1.177 -6.663 1.00 63.54 C ATOM 805 O ILE A 54 -9.529 1.200 -7.610 1.00 2.13 O ATOM 806 CB ILE A 54 -10.431 -0.181 -4.572 1.00 43.21 C ATOM 807 CG1 ILE A 54 -8.913 -0.210 -4.383 1.00 74.11 C ATOM 808 CG2 ILE A 54 -11.077 -1.385 -3.903 1.00 72.30 C ATOM 809 CD1 ILE A 54 -8.481 -0.065 -2.940 1.00 51.42 C ATOM 0 H ILE A 54 -9.209 -1.437 -6.581 1.00 14.42 H new ATOM 0 HA ILE A 54 -11.864 -0.231 -6.187 1.00 74.52 H new ATOM 0 HB ILE A 54 -10.819 0.723 -4.102 1.00 43.21 H new ATOM 0 HG12 ILE A 54 -8.524 -1.148 -4.778 1.00 74.11 H new ATOM 0 HG13 ILE A 54 -8.466 0.593 -4.970 1.00 74.11 H new ATOM 0 HG21 ILE A 54 -10.819 -1.395 -2.844 1.00 72.30 H new ATOM 0 HG22 ILE A 54 -12.160 -1.325 -4.012 1.00 72.30 H new ATOM 0 HG23 ILE A 54 -10.715 -2.300 -4.373 1.00 72.30 H new ATOM 0 HD11 ILE A 54 -7.393 -0.094 -2.881 1.00 51.42 H new ATOM 0 HD12 ILE A 54 -8.840 0.886 -2.546 1.00 51.42 H new ATOM 0 HD13 ILE A 54 -8.898 -0.882 -2.351 1.00 51.42 H new ATOM 821 N ASN A 55 -10.799 2.277 -6.097 1.00 71.33 N ATOM 822 CA ASN A 55 -10.428 3.605 -6.568 1.00 31.25 C ATOM 823 C ASN A 55 -10.350 4.592 -5.406 1.00 4.24 C ATOM 824 O ASN A 55 -11.296 4.732 -4.631 1.00 43.43 O ATOM 825 CB ASN A 55 -11.436 4.102 -7.605 1.00 43.24 C ATOM 826 CG ASN A 55 -12.833 4.248 -7.032 1.00 61.20 C ATOM 827 OD1 ASN A 55 -13.306 5.359 -6.797 1.00 14.22 O ATOM 828 ND2 ASN A 55 -13.499 3.122 -6.803 1.00 32.43 N ATOM 0 H ASN A 55 -11.450 2.274 -5.312 1.00 71.33 H new ATOM 0 HA ASN A 55 -9.444 3.536 -7.031 1.00 31.25 H new ATOM 0 HB2 ASN A 55 -11.105 5.064 -7.997 1.00 43.24 H new ATOM 0 HB3 ASN A 55 -11.462 3.407 -8.444 1.00 43.24 H new ATOM 0 HD21 ASN A 55 -14.442 3.157 -6.417 1.00 32.43 H new ATOM 0 HD22 ASN A 55 -13.067 2.222 -7.013 1.00 32.43 H new ATOM 835 N VAL A 56 -9.215 5.275 -5.293 1.00 34.32 N ATOM 836 CA VAL A 56 -9.013 6.250 -4.227 1.00 43.23 C ATOM 837 C VAL A 56 -8.084 7.372 -4.678 1.00 34.34 C ATOM 838 O VAL A 56 -7.190 7.159 -5.496 1.00 2.51 O ATOM 839 CB VAL A 56 -8.428 5.589 -2.965 1.00 3.25 C ATOM 840 CG1 VAL A 56 -7.047 5.021 -3.251 1.00 24.31 C ATOM 841 CG2 VAL A 56 -8.377 6.586 -1.817 1.00 64.20 C ATOM 0 H VAL A 56 -8.422 5.171 -5.926 1.00 34.32 H new ATOM 0 HA VAL A 56 -9.992 6.666 -3.989 1.00 43.23 H new ATOM 0 HB VAL A 56 -9.079 4.765 -2.672 1.00 3.25 H new ATOM 0 HG11 VAL A 56 -6.650 4.558 -2.348 1.00 24.31 H new ATOM 0 HG12 VAL A 56 -7.118 4.273 -4.041 1.00 24.31 H new ATOM 0 HG13 VAL A 56 -6.382 5.824 -3.570 1.00 24.31 H new ATOM 0 HG21 VAL A 56 -7.961 6.102 -0.933 1.00 64.20 H new ATOM 0 HG22 VAL A 56 -7.749 7.432 -2.097 1.00 64.20 H new ATOM 0 HG23 VAL A 56 -9.384 6.939 -1.597 1.00 64.20 H new ATOM 851 N ASP A 57 -8.302 8.565 -4.137 1.00 0.33 N ATOM 852 CA ASP A 57 -7.483 9.722 -4.482 1.00 72.53 C ATOM 853 C ASP A 57 -6.222 9.769 -3.625 1.00 0.40 C ATOM 854 O ASP A 57 -6.203 9.262 -2.504 1.00 32.03 O ATOM 855 CB ASP A 57 -8.285 11.012 -4.304 1.00 3.01 C ATOM 856 CG ASP A 57 -9.003 11.427 -5.573 1.00 1.11 C ATOM 857 OD1 ASP A 57 -8.447 11.206 -6.668 1.00 62.41 O ATOM 858 OD2 ASP A 57 -10.121 11.975 -5.471 1.00 20.14 O ATOM 0 H ASP A 57 -9.039 8.757 -3.458 1.00 0.33 H new ATOM 0 HA ASP A 57 -7.187 9.629 -5.527 1.00 72.53 H new ATOM 0 HB2 ASP A 57 -9.014 10.876 -3.505 1.00 3.01 H new ATOM 0 HB3 ASP A 57 -7.615 11.813 -3.991 1.00 3.01 H new ATOM 863 N GLU A 58 -5.171 10.382 -4.162 1.00 73.53 N ATOM 864 CA GLU A 58 -3.906 10.493 -3.446 1.00 33.51 C ATOM 865 C GLU A 58 -4.026 11.464 -2.274 1.00 41.40 C ATOM 866 O GLU A 58 -3.416 11.265 -1.224 1.00 52.42 O ATOM 867 CB GLU A 58 -2.797 10.955 -4.393 1.00 41.51 C ATOM 868 CG GLU A 58 -1.401 10.582 -3.926 1.00 24.31 C ATOM 869 CD GLU A 58 -0.339 11.536 -4.437 1.00 3.12 C ATOM 870 OE1 GLU A 58 -0.633 12.298 -5.383 1.00 62.41 O ATOM 871 OE2 GLU A 58 0.784 11.522 -3.893 1.00 25.34 O ATOM 0 H GLU A 58 -5.171 10.808 -5.089 1.00 73.53 H new ATOM 0 HA GLU A 58 -3.653 9.508 -3.054 1.00 33.51 H new ATOM 0 HB2 GLU A 58 -2.969 10.522 -5.378 1.00 41.51 H new ATOM 0 HB3 GLU A 58 -2.856 12.038 -4.506 1.00 41.51 H new ATOM 0 HG2 GLU A 58 -1.378 10.569 -2.836 1.00 24.31 H new ATOM 0 HG3 GLU A 58 -1.168 9.572 -4.262 1.00 24.31 H new ATOM 878 N ASP A 59 -4.816 12.515 -2.465 1.00 13.23 N ATOM 879 CA ASP A 59 -5.018 13.518 -1.426 1.00 35.35 C ATOM 880 C ASP A 59 -5.512 12.871 -0.134 1.00 45.11 C ATOM 881 O ASP A 59 -5.260 13.373 0.961 1.00 1.43 O ATOM 882 CB ASP A 59 -6.017 14.576 -1.894 1.00 12.11 C ATOM 883 CG ASP A 59 -5.411 15.544 -2.891 1.00 64.25 C ATOM 884 OD1 ASP A 59 -4.722 16.490 -2.457 1.00 73.11 O ATOM 885 OD2 ASP A 59 -5.626 15.355 -4.107 1.00 41.34 O ATOM 0 H ASP A 59 -5.327 12.694 -3.329 1.00 13.23 H new ATOM 0 HA ASP A 59 -4.059 13.997 -1.229 1.00 35.35 H new ATOM 0 HB2 ASP A 59 -6.877 14.084 -2.347 1.00 12.11 H new ATOM 0 HB3 ASP A 59 -6.385 15.131 -1.031 1.00 12.11 H new ATOM 890 N LYS A 60 -6.216 11.753 -0.272 1.00 13.12 N ATOM 891 CA LYS A 60 -6.746 11.036 0.882 1.00 52.44 C ATOM 892 C LYS A 60 -5.698 10.094 1.465 1.00 72.12 C ATOM 893 O LYS A 60 -5.774 9.711 2.633 1.00 25.24 O ATOM 894 CB LYS A 60 -7.996 10.245 0.487 1.00 62.41 C ATOM 895 CG LYS A 60 -9.279 11.052 0.575 1.00 23.01 C ATOM 896 CD LYS A 60 -9.602 11.730 -0.745 1.00 51.44 C ATOM 897 CE LYS A 60 -11.093 12.004 -0.881 1.00 30.01 C ATOM 898 NZ LYS A 60 -11.820 10.841 -1.461 1.00 41.10 N ATOM 0 H LYS A 60 -6.433 11.324 -1.171 1.00 13.12 H new ATOM 0 HA LYS A 60 -7.013 11.769 1.643 1.00 52.44 H new ATOM 0 HB2 LYS A 60 -7.877 9.878 -0.532 1.00 62.41 H new ATOM 0 HB3 LYS A 60 -8.082 9.371 1.132 1.00 62.41 H new ATOM 0 HG2 LYS A 60 -10.103 10.398 0.860 1.00 23.01 H new ATOM 0 HG3 LYS A 60 -9.184 11.804 1.358 1.00 23.01 H new ATOM 0 HD2 LYS A 60 -9.051 12.667 -0.818 1.00 51.44 H new ATOM 0 HD3 LYS A 60 -9.270 11.100 -1.570 1.00 51.44 H new ATOM 0 HE2 LYS A 60 -11.509 12.241 0.098 1.00 30.01 H new ATOM 0 HE3 LYS A 60 -11.245 12.879 -1.513 1.00 30.01 H new ATOM 0 HZ1 LYS A 60 -12.832 11.067 -1.537 1.00 41.10 H new ATOM 0 HZ2 LYS A 60 -11.440 10.630 -2.406 1.00 41.10 H new ATOM 0 HZ3 LYS A 60 -11.696 10.012 -0.845 1.00 41.10 H new ATOM 912 N ALA A 61 -4.720 9.723 0.645 1.00 0.31 N ATOM 913 CA ALA A 61 -3.655 8.828 1.081 1.00 4.31 C ATOM 914 C ALA A 61 -2.430 9.614 1.537 1.00 12.22 C ATOM 915 O ALA A 61 -1.297 9.158 1.386 1.00 53.15 O ATOM 916 CB ALA A 61 -3.281 7.868 -0.038 1.00 4.55 C ATOM 0 H ALA A 61 -4.643 10.029 -0.325 1.00 0.31 H new ATOM 0 HA ALA A 61 -4.023 8.253 1.931 1.00 4.31 H new ATOM 0 HB1 ALA A 61 -2.485 7.206 0.302 1.00 4.55 H new ATOM 0 HB2 ALA A 61 -4.153 7.275 -0.315 1.00 4.55 H new ATOM 0 HB3 ALA A 61 -2.937 8.434 -0.904 1.00 4.55 H new ATOM 922 N GLN A 62 -2.666 10.797 2.096 1.00 11.23 N ATOM 923 CA GLN A 62 -1.581 11.647 2.573 1.00 73.34 C ATOM 924 C GLN A 62 -0.977 11.087 3.857 1.00 33.04 C ATOM 925 O GLN A 62 0.238 10.913 3.958 1.00 13.24 O ATOM 926 CB GLN A 62 -2.087 13.070 2.811 1.00 33.44 C ATOM 927 CG GLN A 62 -2.341 13.848 1.531 1.00 63.41 C ATOM 928 CD GLN A 62 -1.069 14.413 0.929 1.00 30.41 C ATOM 929 OE1 GLN A 62 -0.482 15.356 1.461 1.00 73.24 O ATOM 930 NE2 GLN A 62 -0.635 13.837 -0.186 1.00 22.33 N ATOM 0 H GLN A 62 -3.598 11.188 2.230 1.00 11.23 H new ATOM 0 HA GLN A 62 -0.806 11.669 1.807 1.00 73.34 H new ATOM 0 HB2 GLN A 62 -3.010 13.026 3.389 1.00 33.44 H new ATOM 0 HB3 GLN A 62 -1.358 13.609 3.415 1.00 33.44 H new ATOM 0 HG2 GLN A 62 -2.824 13.196 0.804 1.00 63.41 H new ATOM 0 HG3 GLN A 62 -3.034 14.664 1.737 1.00 63.41 H new ATOM 0 HE21 GLN A 62 -1.153 13.058 -0.593 1.00 22.33 H new ATOM 0 HE22 GLN A 62 0.216 14.174 -0.636 1.00 22.33 H new ATOM 939 N ASP A 63 -1.832 10.807 4.834 1.00 32.42 N ATOM 940 CA ASP A 63 -1.382 10.266 6.113 1.00 45.43 C ATOM 941 C ASP A 63 -0.621 8.959 5.912 1.00 3.31 C ATOM 942 O ASP A 63 0.188 8.566 6.752 1.00 62.11 O ATOM 943 CB ASP A 63 -2.575 10.039 7.042 1.00 33.34 C ATOM 944 CG ASP A 63 -2.963 11.292 7.802 1.00 31.12 C ATOM 945 OD1 ASP A 63 -2.326 11.580 8.837 1.00 24.33 O ATOM 946 OD2 ASP A 63 -3.904 11.985 7.362 1.00 61.20 O ATOM 0 H ASP A 63 -2.840 10.945 4.766 1.00 32.42 H new ATOM 0 HA ASP A 63 -0.708 10.991 6.570 1.00 45.43 H new ATOM 0 HB2 ASP A 63 -3.427 9.694 6.457 1.00 33.34 H new ATOM 0 HB3 ASP A 63 -2.334 9.247 7.751 1.00 33.34 H new ATOM 951 N ILE A 64 -0.887 8.291 4.794 1.00 61.01 N ATOM 952 CA ILE A 64 -0.227 7.029 4.484 1.00 33.12 C ATOM 953 C ILE A 64 1.288 7.157 4.600 1.00 53.21 C ATOM 954 O ILE A 64 1.919 7.893 3.842 1.00 50.34 O ATOM 955 CB ILE A 64 -0.583 6.542 3.067 1.00 24.51 C ATOM 956 CG1 ILE A 64 -2.101 6.448 2.902 1.00 42.11 C ATOM 957 CG2 ILE A 64 0.069 5.195 2.791 1.00 24.34 C ATOM 958 CD1 ILE A 64 -2.763 5.535 3.909 1.00 75.43 C ATOM 0 H ILE A 64 -1.555 8.603 4.089 1.00 61.01 H new ATOM 0 HA ILE A 64 -0.584 6.299 5.211 1.00 33.12 H new ATOM 0 HB ILE A 64 -0.202 7.264 2.345 1.00 24.51 H new ATOM 0 HG12 ILE A 64 -2.530 7.446 2.991 1.00 42.11 H new ATOM 0 HG13 ILE A 64 -2.328 6.092 1.897 1.00 42.11 H new ATOM 0 HG21 ILE A 64 -0.192 4.864 1.786 1.00 24.34 H new ATOM 0 HG22 ILE A 64 1.152 5.291 2.872 1.00 24.34 H new ATOM 0 HG23 ILE A 64 -0.285 4.464 3.517 1.00 24.34 H new ATOM 0 HD11 ILE A 64 -3.838 5.517 3.732 1.00 75.43 H new ATOM 0 HD12 ILE A 64 -2.361 4.527 3.805 1.00 75.43 H new ATOM 0 HD13 ILE A 64 -2.567 5.902 4.917 1.00 75.43 H new ATOM 970 N SER A 65 1.866 6.434 5.554 1.00 14.14 N ATOM 971 CA SER A 65 3.308 6.469 5.771 1.00 12.11 C ATOM 972 C SER A 65 3.895 5.062 5.741 1.00 63.15 C ATOM 973 O SER A 65 4.991 4.844 5.223 1.00 64.13 O ATOM 974 CB SER A 65 3.627 7.138 7.110 1.00 44.41 C ATOM 975 OG SER A 65 3.291 8.515 7.085 1.00 42.44 O ATOM 0 H SER A 65 1.359 5.817 6.189 1.00 14.14 H new ATOM 0 HA SER A 65 3.758 7.050 4.966 1.00 12.11 H new ATOM 0 HB2 SER A 65 3.077 6.641 7.909 1.00 44.41 H new ATOM 0 HB3 SER A 65 4.688 7.023 7.334 1.00 44.41 H new ATOM 0 HG SER A 65 2.322 8.613 6.980 1.00 42.44 H new ATOM 981 N THR A 66 3.158 4.107 6.300 1.00 44.10 N ATOM 982 CA THR A 66 3.605 2.720 6.339 1.00 0.50 C ATOM 983 C THR A 66 2.663 1.817 5.551 1.00 62.35 C ATOM 984 O THR A 66 1.551 2.217 5.204 1.00 43.43 O ATOM 985 CB THR A 66 3.704 2.202 7.787 1.00 45.40 C ATOM 986 OG1 THR A 66 2.393 2.046 8.342 1.00 25.03 O ATOM 987 CG2 THR A 66 4.516 3.157 8.648 1.00 15.24 C ATOM 0 H THR A 66 2.248 4.269 6.732 1.00 44.10 H new ATOM 0 HA THR A 66 4.595 2.694 5.883 1.00 0.50 H new ATOM 0 HB THR A 66 4.208 1.235 7.771 1.00 45.40 H new ATOM 0 HG1 THR A 66 2.464 1.715 9.262 1.00 25.03 H new ATOM 0 HG21 THR A 66 4.572 2.771 9.666 1.00 15.24 H new ATOM 0 HG22 THR A 66 5.522 3.250 8.239 1.00 15.24 H new ATOM 0 HG23 THR A 66 4.036 4.136 8.657 1.00 15.24 H new ATOM 995 N ILE A 67 3.113 0.598 5.275 1.00 72.14 N ATOM 996 CA ILE A 67 2.308 -0.363 4.530 1.00 30.31 C ATOM 997 C ILE A 67 0.920 -0.509 5.143 1.00 65.43 C ATOM 998 O ILE A 67 -0.086 -0.508 4.433 1.00 34.25 O ATOM 999 CB ILE A 67 2.985 -1.745 4.481 1.00 42.12 C ATOM 1000 CG1 ILE A 67 4.382 -1.632 3.868 1.00 51.15 C ATOM 1001 CG2 ILE A 67 2.131 -2.725 3.689 1.00 11.43 C ATOM 1002 CD1 ILE A 67 4.373 -1.193 2.420 1.00 63.33 C ATOM 0 H ILE A 67 4.031 0.252 5.556 1.00 72.14 H new ATOM 0 HA ILE A 67 2.214 0.022 3.515 1.00 30.31 H new ATOM 0 HB ILE A 67 3.085 -2.120 5.499 1.00 42.12 H new ATOM 0 HG12 ILE A 67 4.969 -0.922 4.451 1.00 51.15 H new ATOM 0 HG13 ILE A 67 4.882 -2.598 3.943 1.00 51.15 H new ATOM 0 HG21 ILE A 67 2.623 -3.698 3.663 1.00 11.43 H new ATOM 0 HG22 ILE A 67 1.155 -2.824 4.165 1.00 11.43 H new ATOM 0 HG23 ILE A 67 2.003 -2.356 2.671 1.00 11.43 H new ATOM 0 HD11 ILE A 67 5.397 -1.135 2.051 1.00 63.33 H new ATOM 0 HD12 ILE A 67 3.813 -1.914 1.825 1.00 63.33 H new ATOM 0 HD13 ILE A 67 3.902 -0.213 2.340 1.00 63.33 H new ATOM 1014 N GLN A 68 0.874 -0.635 6.466 1.00 51.21 N ATOM 1015 CA GLN A 68 -0.392 -0.781 7.174 1.00 34.22 C ATOM 1016 C GLN A 68 -1.329 0.381 6.863 1.00 43.41 C ATOM 1017 O GLN A 68 -2.503 0.178 6.556 1.00 35.41 O ATOM 1018 CB GLN A 68 -0.149 -0.864 8.683 1.00 71.12 C ATOM 1019 CG GLN A 68 -0.151 -2.286 9.221 1.00 22.45 C ATOM 1020 CD GLN A 68 -1.523 -2.732 9.688 1.00 65.20 C ATOM 1021 OE1 GLN A 68 -1.754 -2.919 10.883 1.00 44.43 O ATOM 1022 NE2 GLN A 68 -2.441 -2.906 8.745 1.00 61.11 N ATOM 0 H GLN A 68 1.698 -0.639 7.068 1.00 51.21 H new ATOM 0 HA GLN A 68 -0.863 -1.704 6.836 1.00 34.22 H new ATOM 0 HB2 GLN A 68 0.809 -0.398 8.915 1.00 71.12 H new ATOM 0 HB3 GLN A 68 -0.917 -0.288 9.199 1.00 71.12 H new ATOM 0 HG2 GLN A 68 0.203 -2.965 8.445 1.00 22.45 H new ATOM 0 HG3 GLN A 68 0.552 -2.357 10.051 1.00 22.45 H new ATOM 0 HE21 GLN A 68 -2.205 -2.739 7.767 1.00 61.11 H new ATOM 0 HE22 GLN A 68 -3.382 -3.206 8.999 1.00 61.11 H new ATOM 1031 N GLN A 69 -0.801 1.598 6.941 1.00 22.41 N ATOM 1032 CA GLN A 69 -1.591 2.792 6.668 1.00 1.54 C ATOM 1033 C GLN A 69 -2.278 2.691 5.310 1.00 2.00 C ATOM 1034 O GLN A 69 -3.468 2.977 5.183 1.00 63.21 O ATOM 1035 CB GLN A 69 -0.705 4.038 6.713 1.00 24.41 C ATOM 1036 CG GLN A 69 -0.039 4.262 8.061 1.00 22.43 C ATOM 1037 CD GLN A 69 -0.937 4.990 9.042 1.00 51.32 C ATOM 1038 OE1 GLN A 69 -2.001 5.488 8.675 1.00 41.44 O ATOM 1039 NE2 GLN A 69 -0.512 5.056 10.298 1.00 14.33 N ATOM 0 H GLN A 69 0.170 1.783 7.191 1.00 22.41 H new ATOM 0 HA GLN A 69 -2.358 2.873 7.438 1.00 1.54 H new ATOM 0 HB2 GLN A 69 0.065 3.954 5.946 1.00 24.41 H new ATOM 0 HB3 GLN A 69 -1.308 4.912 6.465 1.00 24.41 H new ATOM 0 HG2 GLN A 69 0.250 3.300 8.484 1.00 22.43 H new ATOM 0 HG3 GLN A 69 0.877 4.835 7.919 1.00 22.43 H new ATOM 0 HE21 GLN A 69 0.377 4.629 10.559 1.00 14.33 H new ATOM 0 HE22 GLN A 69 -1.074 5.534 11.002 1.00 14.33 H new ATOM 1048 N ALA A 70 -1.519 2.283 4.297 1.00 35.25 N ATOM 1049 CA ALA A 70 -2.055 2.143 2.950 1.00 51.35 C ATOM 1050 C ALA A 70 -3.051 0.991 2.871 1.00 33.40 C ATOM 1051 O ALA A 70 -3.968 1.005 2.051 1.00 54.02 O ATOM 1052 CB ALA A 70 -0.926 1.935 1.952 1.00 62.01 C ATOM 0 H ALA A 70 -0.531 2.044 4.385 1.00 35.25 H new ATOM 0 HA ALA A 70 -2.583 3.063 2.699 1.00 51.35 H new ATOM 0 HB1 ALA A 70 -1.341 1.832 0.949 1.00 62.01 H new ATOM 0 HB2 ALA A 70 -0.253 2.792 1.980 1.00 62.01 H new ATOM 0 HB3 ALA A 70 -0.374 1.032 2.211 1.00 62.01 H new ATOM 1058 N ALA A 71 -2.864 -0.006 3.730 1.00 61.03 N ATOM 1059 CA ALA A 71 -3.747 -1.165 3.759 1.00 75.43 C ATOM 1060 C ALA A 71 -5.091 -0.817 4.389 1.00 2.33 C ATOM 1061 O ALA A 71 -6.143 -1.226 3.896 1.00 33.14 O ATOM 1062 CB ALA A 71 -3.090 -2.311 4.515 1.00 21.12 C ATOM 0 H ALA A 71 -2.109 -0.034 4.415 1.00 61.03 H new ATOM 0 HA ALA A 71 -3.927 -1.478 2.730 1.00 75.43 H new ATOM 0 HB1 ALA A 71 -3.761 -3.170 4.529 1.00 21.12 H new ATOM 0 HB2 ALA A 71 -2.158 -2.586 4.021 1.00 21.12 H new ATOM 0 HB3 ALA A 71 -2.880 -1.999 5.538 1.00 21.12 H new ATOM 1068 N ASP A 72 -5.049 -0.059 5.478 1.00 14.44 N ATOM 1069 CA ASP A 72 -6.265 0.346 6.175 1.00 15.31 C ATOM 1070 C ASP A 72 -7.207 1.092 5.235 1.00 34.34 C ATOM 1071 O ASP A 72 -8.399 0.792 5.167 1.00 32.23 O ATOM 1072 CB ASP A 72 -5.921 1.228 7.376 1.00 20.44 C ATOM 1073 CG ASP A 72 -4.739 0.697 8.165 1.00 43.33 C ATOM 1074 OD1 ASP A 72 -4.630 -0.539 8.309 1.00 53.13 O ATOM 1075 OD2 ASP A 72 -3.924 1.517 8.637 1.00 44.13 O ATOM 0 H ASP A 72 -4.187 0.288 5.898 1.00 14.44 H new ATOM 0 HA ASP A 72 -6.769 -0.554 6.527 1.00 15.31 H new ATOM 0 HB2 ASP A 72 -5.699 2.238 7.030 1.00 20.44 H new ATOM 0 HB3 ASP A 72 -6.789 1.299 8.031 1.00 20.44 H new ATOM 1080 N VAL A 73 -6.665 2.068 4.513 1.00 44.04 N ATOM 1081 CA VAL A 73 -7.457 2.857 3.577 1.00 22.41 C ATOM 1082 C VAL A 73 -8.158 1.963 2.561 1.00 14.20 C ATOM 1083 O VAL A 73 -9.342 2.146 2.271 1.00 23.23 O ATOM 1084 CB VAL A 73 -6.584 3.880 2.827 1.00 24.34 C ATOM 1085 CG1 VAL A 73 -7.420 4.669 1.831 1.00 44.03 C ATOM 1086 CG2 VAL A 73 -5.893 4.813 3.811 1.00 60.22 C ATOM 0 H VAL A 73 -5.681 2.331 4.559 1.00 44.04 H new ATOM 0 HA VAL A 73 -8.204 3.390 4.165 1.00 22.41 H new ATOM 0 HB VAL A 73 -5.817 3.339 2.273 1.00 24.34 H new ATOM 0 HG11 VAL A 73 -6.785 5.387 1.311 1.00 44.03 H new ATOM 0 HG12 VAL A 73 -7.864 3.986 1.107 1.00 44.03 H new ATOM 0 HG13 VAL A 73 -8.211 5.201 2.360 1.00 44.03 H new ATOM 0 HG21 VAL A 73 -5.280 5.529 3.264 1.00 60.22 H new ATOM 0 HG22 VAL A 73 -6.643 5.347 4.394 1.00 60.22 H new ATOM 0 HG23 VAL A 73 -5.260 4.231 4.481 1.00 60.22 H new ATOM 1096 N ILE A 74 -7.423 0.996 2.023 1.00 10.12 N ATOM 1097 CA ILE A 74 -7.976 0.072 1.041 1.00 4.45 C ATOM 1098 C ILE A 74 -9.162 -0.694 1.614 1.00 42.51 C ATOM 1099 O ILE A 74 -10.244 -0.710 1.026 1.00 73.33 O ATOM 1100 CB ILE A 74 -6.916 -0.934 0.555 1.00 24.22 C ATOM 1101 CG1 ILE A 74 -5.735 -0.197 -0.082 1.00 13.03 C ATOM 1102 CG2 ILE A 74 -7.529 -1.914 -0.433 1.00 5.31 C ATOM 1103 CD1 ILE A 74 -4.438 -0.972 -0.028 1.00 71.55 C ATOM 0 H ILE A 74 -6.442 0.832 2.251 1.00 10.12 H new ATOM 0 HA ILE A 74 -8.309 0.673 0.195 1.00 4.45 H new ATOM 0 HB ILE A 74 -6.549 -1.495 1.414 1.00 24.22 H new ATOM 0 HG12 ILE A 74 -5.974 0.024 -1.122 1.00 13.03 H new ATOM 0 HG13 ILE A 74 -5.599 0.759 0.424 1.00 13.03 H new ATOM 0 HG21 ILE A 74 -6.767 -2.618 -0.767 1.00 5.31 H new ATOM 0 HG22 ILE A 74 -8.340 -2.459 0.051 1.00 5.31 H new ATOM 0 HG23 ILE A 74 -7.920 -1.368 -1.292 1.00 5.31 H new ATOM 0 HD11 ILE A 74 -3.646 -0.389 -0.498 1.00 71.55 H new ATOM 0 HD12 ILE A 74 -4.175 -1.170 1.011 1.00 71.55 H new ATOM 0 HD13 ILE A 74 -4.556 -1.917 -0.559 1.00 71.55 H new ATOM 1115 N GLU A 75 -8.953 -1.326 2.763 1.00 34.52 N ATOM 1116 CA GLU A 75 -10.007 -2.094 3.416 1.00 20.42 C ATOM 1117 C GLU A 75 -11.270 -1.253 3.580 1.00 60.43 C ATOM 1118 O GLU A 75 -12.385 -1.767 3.504 1.00 71.43 O ATOM 1119 CB GLU A 75 -9.533 -2.594 4.783 1.00 23.30 C ATOM 1120 CG GLU A 75 -8.415 -3.620 4.701 1.00 35.14 C ATOM 1121 CD GLU A 75 -8.928 -5.046 4.754 1.00 70.44 C ATOM 1122 OE1 GLU A 75 -9.522 -5.426 5.784 1.00 72.13 O ATOM 1123 OE2 GLU A 75 -8.734 -5.782 3.765 1.00 43.34 O ATOM 0 H GLU A 75 -8.063 -1.322 3.262 1.00 34.52 H new ATOM 0 HA GLU A 75 -10.241 -2.951 2.785 1.00 20.42 H new ATOM 0 HB2 GLU A 75 -9.192 -1.744 5.373 1.00 23.30 H new ATOM 0 HB3 GLU A 75 -10.378 -3.032 5.314 1.00 23.30 H new ATOM 0 HG2 GLU A 75 -7.858 -3.472 3.776 1.00 35.14 H new ATOM 0 HG3 GLU A 75 -7.717 -3.458 5.522 1.00 35.14 H new ATOM 1130 N GLY A 76 -11.086 0.044 3.805 1.00 71.31 N ATOM 1131 CA GLY A 76 -12.218 0.935 3.978 1.00 2.23 C ATOM 1132 C GLY A 76 -13.107 0.987 2.750 1.00 33.42 C ATOM 1133 O GLY A 76 -14.312 1.217 2.857 1.00 32.12 O ATOM 0 H GLY A 76 -10.173 0.494 3.871 1.00 71.31 H new ATOM 0 HA2 GLY A 76 -12.806 0.608 4.835 1.00 2.23 H new ATOM 0 HA3 GLY A 76 -11.856 1.938 4.204 1.00 2.23 H new ATOM 1137 N LEU A 77 -12.511 0.774 1.582 1.00 55.02 N ATOM 1138 CA LEU A 77 -13.257 0.798 0.328 1.00 54.40 C ATOM 1139 C LEU A 77 -14.007 -0.513 0.114 1.00 11.55 C ATOM 1140 O LEU A 77 -15.148 -0.520 -0.350 1.00 30.04 O ATOM 1141 CB LEU A 77 -12.311 1.055 -0.845 1.00 4.43 C ATOM 1142 CG LEU A 77 -11.547 2.379 -0.814 1.00 21.23 C ATOM 1143 CD1 LEU A 77 -10.263 2.274 -1.622 1.00 22.31 C ATOM 1144 CD2 LEU A 77 -12.418 3.511 -1.340 1.00 32.42 C ATOM 0 H LEU A 77 -11.515 0.583 1.477 1.00 55.02 H new ATOM 0 HA LEU A 77 -13.986 1.606 0.383 1.00 54.40 H new ATOM 0 HB2 LEU A 77 -11.587 0.242 -0.886 1.00 4.43 H new ATOM 0 HB3 LEU A 77 -12.889 1.014 -1.768 1.00 4.43 H new ATOM 0 HG LEU A 77 -11.285 2.600 0.221 1.00 21.23 H new ATOM 0 HD11 LEU A 77 -9.733 3.226 -1.588 1.00 22.31 H new ATOM 0 HD12 LEU A 77 -9.631 1.492 -1.201 1.00 22.31 H new ATOM 0 HD13 LEU A 77 -10.503 2.029 -2.657 1.00 22.31 H new ATOM 0 HD21 LEU A 77 -11.857 4.445 -1.310 1.00 32.42 H new ATOM 0 HD22 LEU A 77 -12.712 3.297 -2.368 1.00 32.42 H new ATOM 0 HD23 LEU A 77 -13.309 3.603 -0.719 1.00 32.42 H new ATOM 1156 N LEU A 78 -13.360 -1.621 0.458 1.00 24.10 N ATOM 1157 CA LEU A 78 -13.966 -2.939 0.305 1.00 3.24 C ATOM 1158 C LEU A 78 -15.348 -2.980 0.948 1.00 54.15 C ATOM 1159 O LEU A 78 -16.283 -3.557 0.395 1.00 62.34 O ATOM 1160 CB LEU A 78 -13.069 -4.010 0.929 1.00 4.12 C ATOM 1161 CG LEU A 78 -11.962 -4.564 0.031 1.00 21.54 C ATOM 1162 CD1 LEU A 78 -12.535 -5.543 -0.981 1.00 51.52 C ATOM 1163 CD2 LEU A 78 -11.230 -3.431 -0.675 1.00 75.05 C ATOM 0 H LEU A 78 -12.416 -1.633 0.845 1.00 24.10 H new ATOM 0 HA LEU A 78 -14.075 -3.141 -0.761 1.00 3.24 H new ATOM 0 HB2 LEU A 78 -12.608 -3.593 1.825 1.00 4.12 H new ATOM 0 HB3 LEU A 78 -13.698 -4.840 1.251 1.00 4.12 H new ATOM 0 HG LEU A 78 -11.247 -5.098 0.657 1.00 21.54 H new ATOM 0 HD11 LEU A 78 -11.732 -5.927 -1.611 1.00 51.52 H new ATOM 0 HD12 LEU A 78 -13.012 -6.371 -0.457 1.00 51.52 H new ATOM 0 HD13 LEU A 78 -13.272 -5.034 -1.602 1.00 51.52 H new ATOM 0 HD21 LEU A 78 -10.446 -3.844 -1.310 1.00 75.05 H new ATOM 0 HD22 LEU A 78 -11.934 -2.869 -1.288 1.00 75.05 H new ATOM 0 HD23 LEU A 78 -10.785 -2.768 0.067 1.00 75.05 H new ATOM 1175 N GLU A 79 -15.470 -2.362 2.119 1.00 5.23 N ATOM 1176 CA GLU A 79 -16.738 -2.327 2.835 1.00 74.44 C ATOM 1177 C GLU A 79 -17.833 -1.702 1.975 1.00 3.35 C ATOM 1178 O GLU A 79 -18.989 -2.123 2.017 1.00 33.43 O ATOM 1179 CB GLU A 79 -16.591 -1.543 4.142 1.00 42.42 C ATOM 1180 CG GLU A 79 -16.015 -2.364 5.283 1.00 71.34 C ATOM 1181 CD GLU A 79 -16.405 -1.824 6.645 1.00 41.03 C ATOM 1182 OE1 GLU A 79 -17.456 -1.158 6.741 1.00 40.44 O ATOM 1183 OE2 GLU A 79 -15.658 -2.069 7.616 1.00 65.10 O ATOM 0 H GLU A 79 -14.706 -1.879 2.591 1.00 5.23 H new ATOM 0 HA GLU A 79 -17.023 -3.354 3.065 1.00 74.44 H new ATOM 0 HB2 GLU A 79 -15.950 -0.679 3.967 1.00 42.42 H new ATOM 0 HB3 GLU A 79 -17.568 -1.160 4.438 1.00 42.42 H new ATOM 0 HG2 GLU A 79 -16.358 -3.395 5.193 1.00 71.34 H new ATOM 0 HG3 GLU A 79 -14.928 -2.381 5.201 1.00 71.34 H new ATOM 1190 N LYS A 80 -17.460 -0.694 1.195 1.00 2.14 N ATOM 1191 CA LYS A 80 -18.407 -0.009 0.323 1.00 21.23 C ATOM 1192 C LYS A 80 -19.035 -0.983 -0.669 1.00 22.45 C ATOM 1193 O LYS A 80 -20.255 -1.140 -0.712 1.00 4.34 O ATOM 1194 CB LYS A 80 -17.709 1.126 -0.432 1.00 61.40 C ATOM 1195 CG LYS A 80 -18.632 2.279 -0.783 1.00 24.10 C ATOM 1196 CD LYS A 80 -18.767 3.258 0.371 1.00 21.00 C ATOM 1197 CE LYS A 80 -19.450 4.544 -0.065 1.00 44.50 C ATOM 1198 NZ LYS A 80 -20.931 4.392 -0.128 1.00 44.05 N ATOM 0 H LYS A 80 -16.507 -0.333 1.149 1.00 2.14 H new ATOM 0 HA LYS A 80 -19.198 0.410 0.945 1.00 21.23 H new ATOM 0 HB2 LYS A 80 -16.885 1.502 0.175 1.00 61.40 H new ATOM 0 HB3 LYS A 80 -17.274 0.728 -1.349 1.00 61.40 H new ATOM 0 HG2 LYS A 80 -18.247 2.800 -1.660 1.00 24.10 H new ATOM 0 HG3 LYS A 80 -19.615 1.891 -1.049 1.00 24.10 H new ATOM 0 HD2 LYS A 80 -19.339 2.796 1.176 1.00 21.00 H new ATOM 0 HD3 LYS A 80 -17.780 3.487 0.772 1.00 21.00 H new ATOM 0 HE2 LYS A 80 -19.196 5.344 0.631 1.00 44.50 H new ATOM 0 HE3 LYS A 80 -19.073 4.841 -1.044 1.00 44.50 H new ATOM 0 HZ1 LYS A 80 -21.360 5.290 -0.429 1.00 44.05 H new ATOM 0 HZ2 LYS A 80 -21.175 3.646 -0.811 1.00 44.05 H new ATOM 0 HZ3 LYS A 80 -21.294 4.133 0.812 1.00 44.05 H new ATOM 1212 N LYS A 81 -18.193 -1.635 -1.464 1.00 71.03 N ATOM 1213 CA LYS A 81 -18.666 -2.596 -2.454 1.00 23.22 C ATOM 1214 C LYS A 81 -19.350 -3.780 -1.779 1.00 73.12 C ATOM 1215 O LYS A 81 -20.298 -4.351 -2.318 1.00 4.21 O ATOM 1216 CB LYS A 81 -17.499 -3.089 -3.312 1.00 61.22 C ATOM 1217 CG LYS A 81 -16.379 -3.728 -2.508 1.00 32.13 C ATOM 1218 CD LYS A 81 -15.335 -4.363 -3.412 1.00 1.24 C ATOM 1219 CE LYS A 81 -14.456 -3.311 -4.071 1.00 22.13 C ATOM 1220 NZ LYS A 81 -15.035 -2.828 -5.354 1.00 14.50 N ATOM 0 H LYS A 81 -17.180 -1.516 -1.442 1.00 71.03 H new ATOM 0 HA LYS A 81 -19.393 -2.095 -3.093 1.00 23.22 H new ATOM 0 HB2 LYS A 81 -17.872 -3.812 -4.037 1.00 61.22 H new ATOM 0 HB3 LYS A 81 -17.095 -2.249 -3.878 1.00 61.22 H new ATOM 0 HG2 LYS A 81 -15.906 -2.974 -1.878 1.00 32.13 H new ATOM 0 HG3 LYS A 81 -16.794 -4.485 -1.842 1.00 32.13 H new ATOM 0 HD2 LYS A 81 -14.715 -5.045 -2.830 1.00 1.24 H new ATOM 0 HD3 LYS A 81 -15.830 -4.958 -4.179 1.00 1.24 H new ATOM 0 HE2 LYS A 81 -14.326 -2.469 -3.391 1.00 22.13 H new ATOM 0 HE3 LYS A 81 -13.466 -3.728 -4.254 1.00 22.13 H new ATOM 0 HZ1 LYS A 81 -14.310 -2.868 -6.099 1.00 14.50 H new ATOM 0 HZ2 LYS A 81 -15.839 -3.431 -5.621 1.00 14.50 H new ATOM 0 HZ3 LYS A 81 -15.361 -1.847 -5.240 1.00 14.50 H new ATOM 1234 N ALA A 82 -18.866 -4.143 -0.596 1.00 22.23 N ATOM 1235 CA ALA A 82 -19.433 -5.257 0.153 1.00 33.01 C ATOM 1236 C ALA A 82 -19.965 -4.794 1.505 1.00 15.31 C ATOM 1237 O ALA A 82 -21.176 -4.684 1.701 1.00 13.21 O ATOM 1238 CB ALA A 82 -18.394 -6.352 0.340 1.00 72.12 C ATOM 0 H ALA A 82 -18.082 -3.681 -0.135 1.00 22.23 H new ATOM 0 HA ALA A 82 -20.269 -5.659 -0.420 1.00 33.01 H new ATOM 0 HB1 ALA A 82 -18.832 -7.177 0.901 1.00 72.12 H new ATOM 0 HB2 ALA A 82 -18.064 -6.711 -0.635 1.00 72.12 H new ATOM 0 HB3 ALA A 82 -17.540 -5.954 0.888 1.00 72.12 H new TER 1244 ALA A 82