USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 642 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 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 68 TYR OH : rot 63:sc= -0.174 USER MOD Set 2.1: A 30 HIS : no HD1:sc= -3.37! K(o=-3.2!,f=-2.1) USER MOD Set 2.2: A 41 LYS NZ :NH3+ -165:sc= 0.129 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 180:sc= -1.25 USER MOD Single : A 20 SER OG : rot 114:sc= 1.51 USER MOD Single : A 22 HIS : no HD1:sc= -3.05 K(o=-3,f=-0.31) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -127:sc=-0.00515 (180deg=-0.0244) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.021 USER MOD Single : A 38 THR OG1 : rot 170:sc= -8.97! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -6.35! C(o=-6.4!,f=-12!) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0527 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.24) USER MOD Single : A 57 TYR OH : rot -154:sc= -0.42 USER MOD Single : A 59 GLN : amide:sc= 0.0967 X(o=0.097,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 72:sc= -0.344 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.695 18.559 -7.847 1.00 0.00 N ATOM 2 CA MET A 1 -8.396 17.882 -6.553 1.00 0.00 C ATOM 3 C MET A 1 -7.043 17.169 -6.628 1.00 0.00 C ATOM 4 O MET A 1 -6.935 16.079 -7.159 1.00 0.00 O ATOM 5 CB MET A 1 -9.526 16.869 -6.366 1.00 0.00 C ATOM 6 CG MET A 1 -9.584 16.433 -4.901 1.00 0.00 C ATOM 7 SD MET A 1 -10.947 15.262 -4.674 1.00 0.00 S ATOM 8 CE MET A 1 -11.154 15.499 -2.892 1.00 0.00 C ATOM 0 H1 MET A 1 -9.615 19.039 -7.783 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.953 19.258 -8.052 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.725 17.852 -8.610 1.00 0.00 H new ATOM 0 HA MET A 1 -8.338 18.586 -5.723 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.477 17.311 -6.663 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.362 16.003 -7.008 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.641 15.971 -4.610 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.725 17.301 -4.257 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.960 14.860 -2.531 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.228 15.238 -2.380 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.399 16.542 -2.690 1.00 0.00 H new ATOM 20 N LYS A 2 -6.012 17.779 -6.100 1.00 0.00 N ATOM 21 CA LYS A 2 -4.660 17.145 -6.137 1.00 0.00 C ATOM 22 C LYS A 2 -3.726 17.828 -5.132 1.00 0.00 C ATOM 23 O LYS A 2 -3.952 18.954 -4.731 1.00 0.00 O ATOM 24 CB LYS A 2 -4.160 17.360 -7.565 1.00 0.00 C ATOM 25 CG LYS A 2 -2.973 16.434 -7.836 1.00 0.00 C ATOM 26 CD LYS A 2 -2.680 16.404 -9.338 1.00 0.00 C ATOM 27 CE LYS A 2 -1.340 15.706 -9.583 1.00 0.00 C ATOM 28 NZ LYS A 2 -1.334 15.388 -11.039 1.00 0.00 N ATOM 0 H LYS A 2 -6.049 18.691 -5.644 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.693 16.088 -5.872 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -4.961 17.159 -8.276 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.863 18.399 -7.705 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.096 16.781 -7.291 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -3.194 15.428 -7.478 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -3.477 15.879 -9.864 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -2.651 17.419 -9.734 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.503 16.352 -9.316 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.249 14.802 -8.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.446 14.907 -11.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -2.138 14.767 -11.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -1.415 16.268 -11.587 1.00 0.00 H new ATOM 42 N LYS A 3 -2.682 17.152 -4.728 1.00 0.00 N ATOM 43 CA LYS A 3 -1.726 17.752 -3.749 1.00 0.00 C ATOM 44 C LYS A 3 -0.559 18.411 -4.488 1.00 0.00 C ATOM 45 O LYS A 3 -0.099 17.920 -5.501 1.00 0.00 O ATOM 46 CB LYS A 3 -1.231 16.576 -2.907 1.00 0.00 C ATOM 47 CG LYS A 3 -0.457 17.104 -1.698 1.00 0.00 C ATOM 48 CD LYS A 3 -1.441 17.629 -0.650 1.00 0.00 C ATOM 49 CE LYS A 3 -1.993 16.458 0.165 1.00 0.00 C ATOM 50 NZ LYS A 3 -2.408 17.056 1.465 1.00 0.00 N ATOM 0 H LYS A 3 -2.449 16.207 -5.035 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.192 18.524 -3.136 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -2.075 15.971 -2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.591 15.929 -3.507 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.156 16.311 -1.271 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.221 17.900 -2.006 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.942 18.341 0.008 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.257 18.163 -1.137 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -2.837 15.988 -0.341 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -1.237 15.686 0.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.798 16.313 2.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.583 17.490 1.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -3.133 17.783 1.297 1.00 0.00 H new ATOM 64 N ASP A 4 -0.080 19.520 -3.984 1.00 0.00 N ATOM 65 CA ASP A 4 1.060 20.220 -4.649 1.00 0.00 C ATOM 66 C ASP A 4 2.389 19.548 -4.266 1.00 0.00 C ATOM 67 O ASP A 4 2.418 18.711 -3.386 1.00 0.00 O ATOM 68 CB ASP A 4 1.010 21.654 -4.118 1.00 0.00 C ATOM 69 CG ASP A 4 0.206 22.527 -5.081 1.00 0.00 C ATOM 70 OD1 ASP A 4 -1.003 22.370 -5.124 1.00 0.00 O ATOM 71 OD2 ASP A 4 0.812 23.340 -5.760 1.00 0.00 O ATOM 0 H ASP A 4 -0.430 19.971 -3.139 1.00 0.00 H new ATOM 0 HA ASP A 4 0.988 20.187 -5.736 1.00 0.00 H new ATOM 0 HB2 ASP A 4 0.554 21.671 -3.128 1.00 0.00 H new ATOM 0 HB3 ASP A 4 2.020 22.048 -4.010 1.00 0.00 H new ATOM 76 N PRO A 5 3.454 19.932 -4.937 1.00 0.00 N ATOM 77 CA PRO A 5 4.782 19.340 -4.636 1.00 0.00 C ATOM 78 C PRO A 5 5.304 19.844 -3.286 1.00 0.00 C ATOM 79 O PRO A 5 6.099 19.190 -2.638 1.00 0.00 O ATOM 80 CB PRO A 5 5.666 19.833 -5.779 1.00 0.00 C ATOM 81 CG PRO A 5 5.011 21.087 -6.261 1.00 0.00 C ATOM 82 CD PRO A 5 3.534 20.933 -6.016 1.00 0.00 C ATOM 0 HA PRO A 5 4.756 18.253 -4.563 1.00 0.00 H new ATOM 0 HB2 PRO A 5 6.683 20.025 -5.437 1.00 0.00 H new ATOM 0 HB3 PRO A 5 5.732 19.091 -6.575 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.402 21.955 -5.730 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.212 21.245 -7.321 1.00 0.00 H new ATOM 0 HD2 PRO A 5 3.078 21.877 -5.719 1.00 0.00 H new ATOM 0 HD3 PRO A 5 3.014 20.596 -6.913 1.00 0.00 H new ATOM 90 N ASN A 6 4.863 21.002 -2.860 1.00 0.00 N ATOM 91 CA ASN A 6 5.332 21.554 -1.551 1.00 0.00 C ATOM 92 C ASN A 6 4.957 20.606 -0.408 1.00 0.00 C ATOM 93 O ASN A 6 5.657 20.510 0.582 1.00 0.00 O ATOM 94 CB ASN A 6 4.607 22.893 -1.393 1.00 0.00 C ATOM 95 CG ASN A 6 5.162 23.897 -2.403 1.00 0.00 C ATOM 96 OD1 ASN A 6 6.210 24.476 -2.190 1.00 0.00 O ATOM 97 ND2 ASN A 6 4.500 24.131 -3.503 1.00 0.00 N ATOM 0 H ASN A 6 4.198 21.589 -3.363 1.00 0.00 H new ATOM 0 HA ASN A 6 6.415 21.673 -1.524 1.00 0.00 H new ATOM 0 HB2 ASN A 6 3.536 22.759 -1.548 1.00 0.00 H new ATOM 0 HB3 ASN A 6 4.737 23.272 -0.379 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.862 24.799 -4.184 1.00 0.00 H new ATOM 0 HD22 ASN A 6 3.621 23.646 -3.682 1.00 0.00 H new ATOM 104 N ALA A 7 3.855 19.909 -0.538 1.00 0.00 N ATOM 105 CA ALA A 7 3.429 18.967 0.543 1.00 0.00 C ATOM 106 C ALA A 7 4.326 17.717 0.549 1.00 0.00 C ATOM 107 O ALA A 7 4.877 17.353 -0.471 1.00 0.00 O ATOM 108 CB ALA A 7 1.987 18.588 0.202 1.00 0.00 C ATOM 0 H ALA A 7 3.233 19.952 -1.345 1.00 0.00 H new ATOM 0 HA ALA A 7 3.508 19.419 1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.605 17.897 0.953 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.369 19.486 0.187 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.958 18.111 -0.778 1.00 0.00 H new ATOM 114 N PRO A 8 4.444 17.091 1.702 1.00 0.00 N ATOM 115 CA PRO A 8 5.274 15.881 1.824 1.00 0.00 C ATOM 116 C PRO A 8 4.543 14.622 1.339 1.00 0.00 C ATOM 117 O PRO A 8 4.275 13.706 2.091 1.00 0.00 O ATOM 118 CB PRO A 8 5.630 15.819 3.295 1.00 0.00 C ATOM 119 CG PRO A 8 4.609 16.638 4.000 1.00 0.00 C ATOM 120 CD PRO A 8 3.829 17.438 2.982 1.00 0.00 C ATOM 0 HA PRO A 8 6.162 15.925 1.193 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.621 14.790 3.655 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.632 16.210 3.470 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.937 15.994 4.568 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.090 17.306 4.715 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.771 17.178 2.998 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.898 18.508 3.179 1.00 0.00 H new ATOM 128 N LYS A 9 4.248 14.580 0.066 1.00 0.00 N ATOM 129 CA LYS A 9 3.560 13.398 -0.549 1.00 0.00 C ATOM 130 C LYS A 9 2.297 13.006 0.219 1.00 0.00 C ATOM 131 O LYS A 9 1.950 13.608 1.210 1.00 0.00 O ATOM 132 CB LYS A 9 4.580 12.263 -0.494 1.00 0.00 C ATOM 133 CG LYS A 9 5.764 12.595 -1.403 1.00 0.00 C ATOM 134 CD LYS A 9 5.376 12.341 -2.861 1.00 0.00 C ATOM 135 CE LYS A 9 6.240 13.208 -3.779 1.00 0.00 C ATOM 136 NZ LYS A 9 5.572 13.142 -5.109 1.00 0.00 N ATOM 0 H LYS A 9 4.459 15.331 -0.591 1.00 0.00 H new ATOM 0 HA LYS A 9 3.238 13.625 -1.565 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.924 12.118 0.530 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.117 11.328 -0.810 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.057 13.636 -1.270 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.626 11.984 -1.133 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.511 11.287 -3.106 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.321 12.571 -3.013 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.296 14.234 -3.416 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.262 12.832 -3.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.106 13.713 -5.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.539 12.154 -5.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.604 13.513 -5.030 1.00 0.00 H new ATOM 150 N ARG A 10 1.610 11.995 -0.246 1.00 0.00 N ATOM 151 CA ARG A 10 0.364 11.540 0.444 1.00 0.00 C ATOM 152 C ARG A 10 0.640 10.224 1.191 1.00 0.00 C ATOM 153 O ARG A 10 1.611 9.557 0.900 1.00 0.00 O ATOM 154 CB ARG A 10 -0.659 11.314 -0.676 1.00 0.00 C ATOM 155 CG ARG A 10 -0.811 12.591 -1.510 1.00 0.00 C ATOM 156 CD ARG A 10 -2.200 12.621 -2.153 1.00 0.00 C ATOM 157 NE ARG A 10 -3.104 13.136 -1.088 1.00 0.00 N ATOM 158 CZ ARG A 10 -4.065 12.382 -0.628 1.00 0.00 C ATOM 159 NH1 ARG A 10 -5.019 11.985 -1.426 1.00 0.00 N ATOM 160 NH2 ARG A 10 -4.073 12.027 0.627 1.00 0.00 N ATOM 0 H ARG A 10 1.859 11.461 -1.079 1.00 0.00 H new ATOM 0 HA ARG A 10 0.006 12.264 1.176 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.338 10.490 -1.313 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -1.621 11.031 -0.250 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.672 13.469 -0.879 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.041 12.628 -2.281 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.215 13.267 -3.031 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -2.504 11.628 -2.483 1.00 0.00 H new ATOM 0 HE ARG A 10 -2.972 14.077 -0.718 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.012 12.264 -2.407 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.771 11.396 -1.068 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.328 12.339 1.250 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.824 11.438 0.986 1.00 0.00 H new ATOM 174 N PRO A 11 -0.223 9.879 2.123 1.00 0.00 N ATOM 175 CA PRO A 11 -0.038 8.615 2.885 1.00 0.00 C ATOM 176 C PRO A 11 -0.393 7.410 1.994 1.00 0.00 C ATOM 177 O PRO A 11 -1.543 7.240 1.636 1.00 0.00 O ATOM 178 CB PRO A 11 -1.027 8.744 4.040 1.00 0.00 C ATOM 179 CG PRO A 11 -2.082 9.684 3.550 1.00 0.00 C ATOM 180 CD PRO A 11 -1.427 10.609 2.556 1.00 0.00 C ATOM 0 HA PRO A 11 0.986 8.460 3.226 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.454 7.776 4.303 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.539 9.131 4.935 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.900 9.135 3.084 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.509 10.249 4.379 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.087 10.822 1.715 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.171 11.566 3.011 1.00 0.00 H new ATOM 188 N PRO A 12 0.597 6.611 1.644 1.00 0.00 N ATOM 189 CA PRO A 12 0.343 5.442 0.776 1.00 0.00 C ATOM 190 C PRO A 12 -0.070 4.216 1.598 1.00 0.00 C ATOM 191 O PRO A 12 0.326 4.051 2.735 1.00 0.00 O ATOM 192 CB PRO A 12 1.693 5.196 0.112 1.00 0.00 C ATOM 193 CG PRO A 12 2.717 5.771 1.044 1.00 0.00 C ATOM 194 CD PRO A 12 2.019 6.708 2.004 1.00 0.00 C ATOM 0 HA PRO A 12 -0.467 5.617 0.068 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.863 4.131 -0.046 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.741 5.675 -0.866 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.221 4.974 1.591 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.483 6.306 0.482 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.187 6.413 3.040 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.386 7.729 1.900 1.00 0.00 H new ATOM 202 N SER A 13 -0.840 3.345 1.002 1.00 0.00 N ATOM 203 CA SER A 13 -1.269 2.100 1.703 1.00 0.00 C ATOM 204 C SER A 13 -0.619 0.907 1.000 1.00 0.00 C ATOM 205 O SER A 13 -0.312 0.981 -0.172 1.00 0.00 O ATOM 206 CB SER A 13 -2.789 2.055 1.555 1.00 0.00 C ATOM 207 OG SER A 13 -3.338 1.244 2.584 1.00 0.00 O ATOM 0 H SER A 13 -1.193 3.444 0.050 1.00 0.00 H new ATOM 0 HA SER A 13 -0.980 2.074 2.754 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.201 3.062 1.612 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.059 1.655 0.578 1.00 0.00 H new ATOM 0 HG SER A 13 -4.313 1.215 2.492 1.00 0.00 H new ATOM 213 N ALA A 14 -0.417 -0.194 1.685 1.00 0.00 N ATOM 214 CA ALA A 14 0.214 -1.382 1.021 1.00 0.00 C ATOM 215 C ALA A 14 -0.596 -1.790 -0.210 1.00 0.00 C ATOM 216 O ALA A 14 -0.060 -1.938 -1.293 1.00 0.00 O ATOM 217 CB ALA A 14 0.198 -2.492 2.068 1.00 0.00 C ATOM 0 H ALA A 14 -0.659 -0.322 2.667 1.00 0.00 H new ATOM 0 HA ALA A 14 1.227 -1.169 0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.646 -3.393 1.650 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.768 -2.176 2.942 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.831 -2.701 2.361 1.00 0.00 H new ATOM 223 N PHE A 15 -1.886 -1.954 -0.056 1.00 0.00 N ATOM 224 CA PHE A 15 -2.739 -2.332 -1.224 1.00 0.00 C ATOM 225 C PHE A 15 -2.645 -1.248 -2.306 1.00 0.00 C ATOM 226 O PHE A 15 -2.863 -1.510 -3.475 1.00 0.00 O ATOM 227 CB PHE A 15 -4.166 -2.420 -0.675 1.00 0.00 C ATOM 228 CG PHE A 15 -5.105 -2.862 -1.775 1.00 0.00 C ATOM 229 CD1 PHE A 15 -4.883 -4.073 -2.441 1.00 0.00 C ATOM 230 CD2 PHE A 15 -6.195 -2.058 -2.129 1.00 0.00 C ATOM 231 CE1 PHE A 15 -5.751 -4.480 -3.462 1.00 0.00 C ATOM 232 CE2 PHE A 15 -7.063 -2.465 -3.150 1.00 0.00 C ATOM 233 CZ PHE A 15 -6.841 -3.676 -3.816 1.00 0.00 C ATOM 0 H PHE A 15 -2.385 -1.843 0.827 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.426 -3.273 -1.677 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -4.204 -3.125 0.155 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.477 -1.451 -0.285 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -4.042 -4.693 -2.168 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.367 -1.124 -1.615 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.579 -5.414 -3.976 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.904 -1.845 -3.423 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.511 -3.990 -4.603 1.00 0.00 H new ATOM 243 N PHE A 16 -2.315 -0.037 -1.923 1.00 0.00 N ATOM 244 CA PHE A 16 -2.200 1.062 -2.927 1.00 0.00 C ATOM 245 C PHE A 16 -0.923 0.886 -3.745 1.00 0.00 C ATOM 246 O PHE A 16 -0.910 1.143 -4.935 1.00 0.00 O ATOM 247 CB PHE A 16 -2.153 2.357 -2.115 1.00 0.00 C ATOM 248 CG PHE A 16 -2.521 3.522 -3.002 1.00 0.00 C ATOM 249 CD1 PHE A 16 -1.544 4.135 -3.795 1.00 0.00 C ATOM 250 CD2 PHE A 16 -3.842 3.988 -3.034 1.00 0.00 C ATOM 251 CE1 PHE A 16 -1.886 5.215 -4.619 1.00 0.00 C ATOM 252 CE2 PHE A 16 -4.184 5.066 -3.857 1.00 0.00 C ATOM 253 CZ PHE A 16 -3.207 5.680 -4.650 1.00 0.00 C ATOM 0 H PHE A 16 -2.121 0.235 -0.959 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.033 1.067 -3.631 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.842 2.296 -1.273 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.155 2.503 -1.701 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.526 3.775 -3.772 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.596 3.515 -2.423 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.132 5.689 -5.230 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.202 5.425 -3.881 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.472 6.512 -5.286 1.00 0.00 H new ATOM 263 N LEU A 17 0.140 0.413 -3.135 1.00 0.00 N ATOM 264 CA LEU A 17 1.397 0.183 -3.908 1.00 0.00 C ATOM 265 C LEU A 17 1.102 -0.915 -4.931 1.00 0.00 C ATOM 266 O LEU A 17 0.973 -0.648 -6.108 1.00 0.00 O ATOM 267 CB LEU A 17 2.437 -0.260 -2.876 1.00 0.00 C ATOM 268 CG LEU A 17 3.069 0.979 -2.232 1.00 0.00 C ATOM 269 CD1 LEU A 17 2.118 1.577 -1.201 1.00 0.00 C ATOM 270 CD2 LEU A 17 4.369 0.595 -1.534 1.00 0.00 C ATOM 0 H LEU A 17 0.189 0.179 -2.143 1.00 0.00 H new ATOM 0 HA LEU A 17 1.761 1.059 -4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.968 -0.882 -2.113 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.205 -0.868 -3.354 1.00 0.00 H new ATOM 0 HG LEU A 17 3.270 1.711 -3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.577 2.457 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.186 1.864 -1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.910 0.839 -0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.813 1.480 -1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.162 -0.146 -0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.063 0.175 -2.262 1.00 0.00 H new ATOM 282 N PHE A 18 0.989 -2.146 -4.467 1.00 0.00 N ATOM 283 CA PHE A 18 0.677 -3.316 -5.372 1.00 0.00 C ATOM 284 C PHE A 18 -0.296 -2.895 -6.502 1.00 0.00 C ATOM 285 O PHE A 18 -0.013 -3.084 -7.669 1.00 0.00 O ATOM 286 CB PHE A 18 0.031 -4.360 -4.444 1.00 0.00 C ATOM 287 CG PHE A 18 -0.497 -5.530 -5.247 1.00 0.00 C ATOM 288 CD1 PHE A 18 0.389 -6.463 -5.796 1.00 0.00 C ATOM 289 CD2 PHE A 18 -1.875 -5.675 -5.441 1.00 0.00 C ATOM 290 CE1 PHE A 18 -0.105 -7.543 -6.538 1.00 0.00 C ATOM 291 CE2 PHE A 18 -2.369 -6.754 -6.183 1.00 0.00 C ATOM 292 CZ PHE A 18 -1.485 -7.688 -6.731 1.00 0.00 C ATOM 0 H PHE A 18 1.101 -2.394 -3.484 1.00 0.00 H new ATOM 0 HA PHE A 18 1.565 -3.704 -5.871 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.763 -4.711 -3.717 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.782 -3.901 -3.881 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.453 -6.351 -5.648 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.558 -4.954 -5.018 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.578 -8.264 -6.962 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.433 -6.865 -6.332 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.866 -8.521 -7.303 1.00 0.00 H new ATOM 302 N CYS A 19 -1.430 -2.329 -6.160 1.00 0.00 N ATOM 303 CA CYS A 19 -2.395 -1.900 -7.220 1.00 0.00 C ATOM 304 C CYS A 19 -1.775 -0.794 -8.084 1.00 0.00 C ATOM 305 O CYS A 19 -1.898 -0.799 -9.294 1.00 0.00 O ATOM 306 CB CYS A 19 -3.619 -1.372 -6.464 1.00 0.00 C ATOM 307 SG CYS A 19 -4.909 -0.891 -7.642 1.00 0.00 S ATOM 0 H CYS A 19 -1.726 -2.147 -5.201 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.658 -2.718 -7.891 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.999 -2.138 -5.788 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -3.337 -0.517 -5.850 1.00 0.00 H new ATOM 0 HG CYS A 19 -5.944 -0.446 -6.994 1.00 0.00 H new ATOM 313 N SER A 20 -1.120 0.159 -7.467 1.00 0.00 N ATOM 314 CA SER A 20 -0.499 1.277 -8.246 1.00 0.00 C ATOM 315 C SER A 20 0.495 0.735 -9.279 1.00 0.00 C ATOM 316 O SER A 20 0.648 1.298 -10.348 1.00 0.00 O ATOM 317 CB SER A 20 0.223 2.146 -7.215 1.00 0.00 C ATOM 318 OG SER A 20 -0.715 3.010 -6.589 1.00 0.00 O ATOM 0 H SER A 20 -0.988 0.211 -6.457 1.00 0.00 H new ATOM 0 HA SER A 20 -1.249 1.842 -8.799 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.709 1.517 -6.469 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.006 2.730 -7.699 1.00 0.00 H new ATOM 0 HG SER A 20 -0.796 2.773 -5.642 1.00 0.00 H new ATOM 324 N GLU A 21 1.175 -0.345 -8.972 1.00 0.00 N ATOM 325 CA GLU A 21 2.159 -0.905 -9.947 1.00 0.00 C ATOM 326 C GLU A 21 1.476 -1.888 -10.906 1.00 0.00 C ATOM 327 O GLU A 21 1.933 -2.090 -12.016 1.00 0.00 O ATOM 328 CB GLU A 21 3.231 -1.607 -9.101 1.00 0.00 C ATOM 329 CG GLU A 21 2.604 -2.728 -8.269 1.00 0.00 C ATOM 330 CD GLU A 21 3.694 -3.703 -7.820 1.00 0.00 C ATOM 331 OE1 GLU A 21 4.626 -3.909 -8.580 1.00 0.00 O ATOM 332 OE2 GLU A 21 3.577 -4.226 -6.725 1.00 0.00 O ATOM 0 H GLU A 21 1.091 -0.858 -8.094 1.00 0.00 H new ATOM 0 HA GLU A 21 2.596 -0.125 -10.570 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.005 -2.016 -9.750 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.715 -0.885 -8.444 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.096 -2.310 -7.400 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.851 -3.253 -8.856 1.00 0.00 H new ATOM 339 N HIS A 22 0.388 -2.498 -10.497 1.00 0.00 N ATOM 340 CA HIS A 22 -0.318 -3.460 -11.400 1.00 0.00 C ATOM 341 C HIS A 22 -1.546 -2.800 -12.039 1.00 0.00 C ATOM 342 O HIS A 22 -2.443 -3.473 -12.510 1.00 0.00 O ATOM 343 CB HIS A 22 -0.755 -4.609 -10.492 1.00 0.00 C ATOM 344 CG HIS A 22 0.444 -5.418 -10.081 1.00 0.00 C ATOM 345 ND1 HIS A 22 1.192 -6.150 -10.989 1.00 0.00 N ATOM 346 CD2 HIS A 22 1.032 -5.623 -8.859 1.00 0.00 C ATOM 347 CE1 HIS A 22 2.178 -6.758 -10.305 1.00 0.00 C ATOM 348 NE2 HIS A 22 2.127 -6.470 -9.002 1.00 0.00 N ATOM 0 H HIS A 22 -0.040 -2.371 -9.580 1.00 0.00 H new ATOM 0 HA HIS A 22 0.324 -3.795 -12.215 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -1.259 -4.216 -9.610 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.472 -5.244 -11.013 1.00 0.00 H new ATOM 0 HD2 HIS A 22 0.696 -5.192 -7.927 1.00 0.00 H new ATOM 0 HE1 HIS A 22 2.920 -7.401 -10.755 1.00 0.00 H new ATOM 0 HE2 HIS A 22 2.755 -6.800 -8.269 1.00 0.00 H new ATOM 356 N ARG A 23 -1.590 -1.490 -12.065 1.00 0.00 N ATOM 357 CA ARG A 23 -2.756 -0.787 -12.678 1.00 0.00 C ATOM 358 C ARG A 23 -2.562 -0.608 -14.200 1.00 0.00 C ATOM 359 O ARG A 23 -3.494 -0.842 -14.947 1.00 0.00 O ATOM 360 CB ARG A 23 -2.841 0.564 -11.961 1.00 0.00 C ATOM 361 CG ARG A 23 -4.065 1.333 -12.466 1.00 0.00 C ATOM 362 CD ARG A 23 -4.248 2.604 -11.632 1.00 0.00 C ATOM 363 NE ARG A 23 -4.713 2.130 -10.299 1.00 0.00 N ATOM 364 CZ ARG A 23 -5.369 2.936 -9.511 1.00 0.00 C ATOM 365 NH1 ARG A 23 -4.792 4.012 -9.051 1.00 0.00 N ATOM 366 NH2 ARG A 23 -6.603 2.667 -9.183 1.00 0.00 N ATOM 0 H ARG A 23 -0.867 -0.878 -11.687 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.677 -1.358 -12.562 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.912 0.412 -10.884 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.935 1.142 -12.142 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.938 1.590 -13.518 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.955 0.708 -12.396 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.314 3.159 -11.549 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.977 3.274 -12.089 1.00 0.00 H new ATOM 0 HE ARG A 23 -4.518 1.174 -10.002 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.828 4.223 -9.308 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.305 4.642 -8.435 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -7.055 1.826 -9.543 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -7.116 3.297 -8.567 1.00 0.00 H new ATOM 380 N PRO A 24 -1.375 -0.214 -14.635 1.00 0.00 N ATOM 381 CA PRO A 24 -1.148 -0.043 -16.090 1.00 0.00 C ATOM 382 C PRO A 24 -0.946 -1.407 -16.768 1.00 0.00 C ATOM 383 O PRO A 24 -0.926 -1.502 -17.981 1.00 0.00 O ATOM 384 CB PRO A 24 0.123 0.794 -16.169 1.00 0.00 C ATOM 385 CG PRO A 24 0.853 0.527 -14.892 1.00 0.00 C ATOM 386 CD PRO A 24 -0.162 0.104 -13.858 1.00 0.00 C ATOM 0 HA PRO A 24 -1.991 0.428 -16.597 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.726 0.513 -17.033 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.110 1.854 -16.274 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.600 -0.254 -15.035 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.384 1.420 -14.562 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.185 -0.761 -13.293 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.350 0.901 -13.138 1.00 0.00 H new ATOM 394 N LYS A 25 -0.810 -2.466 -15.999 1.00 0.00 N ATOM 395 CA LYS A 25 -0.624 -3.817 -16.605 1.00 0.00 C ATOM 396 C LYS A 25 -1.984 -4.384 -17.012 1.00 0.00 C ATOM 397 O LYS A 25 -2.116 -5.032 -18.034 1.00 0.00 O ATOM 398 CB LYS A 25 0.008 -4.668 -15.502 1.00 0.00 C ATOM 399 CG LYS A 25 0.311 -6.066 -16.044 1.00 0.00 C ATOM 400 CD LYS A 25 0.989 -6.899 -14.955 1.00 0.00 C ATOM 401 CE LYS A 25 1.109 -8.351 -15.423 1.00 0.00 C ATOM 402 NZ LYS A 25 1.188 -9.154 -14.170 1.00 0.00 N ATOM 0 H LYS A 25 -0.821 -2.448 -14.979 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.000 -3.794 -17.498 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.925 -4.198 -15.146 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.667 -4.736 -14.649 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.611 -6.550 -16.366 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.957 -5.996 -16.919 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.977 -6.494 -14.735 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.411 -6.850 -14.032 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.249 -8.644 -16.026 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.996 -8.495 -16.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.272 -10.163 -14.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 2.019 -8.858 -13.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.328 -9.002 -13.606 1.00 0.00 H new ATOM 416 N ILE A 26 -2.999 -4.130 -16.222 1.00 0.00 N ATOM 417 CA ILE A 26 -4.362 -4.637 -16.565 1.00 0.00 C ATOM 418 C ILE A 26 -4.929 -3.863 -17.763 1.00 0.00 C ATOM 419 O ILE A 26 -5.919 -4.260 -18.341 1.00 0.00 O ATOM 420 CB ILE A 26 -5.218 -4.398 -15.311 1.00 0.00 C ATOM 421 CG1 ILE A 26 -4.619 -5.154 -14.115 1.00 0.00 C ATOM 422 CG2 ILE A 26 -6.647 -4.891 -15.560 1.00 0.00 C ATOM 423 CD1 ILE A 26 -4.547 -6.658 -14.410 1.00 0.00 C ATOM 0 H ILE A 26 -2.941 -3.594 -15.356 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.347 -5.690 -16.844 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.233 -3.331 -15.091 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.621 -4.772 -13.899 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.226 -4.981 -13.227 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.251 -4.720 -14.669 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.078 -4.347 -16.401 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.630 -5.957 -15.788 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.120 -7.177 -13.552 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.550 -7.039 -14.603 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.920 -6.827 -15.285 1.00 0.00 H new ATOM 435 N LYS A 27 -4.308 -2.772 -18.147 1.00 0.00 N ATOM 436 CA LYS A 27 -4.814 -1.988 -19.312 1.00 0.00 C ATOM 437 C LYS A 27 -4.318 -2.603 -20.627 1.00 0.00 C ATOM 438 O LYS A 27 -4.874 -2.354 -21.681 1.00 0.00 O ATOM 439 CB LYS A 27 -4.241 -0.583 -19.118 1.00 0.00 C ATOM 440 CG LYS A 27 -5.054 0.153 -18.050 1.00 0.00 C ATOM 441 CD LYS A 27 -4.741 1.649 -18.106 1.00 0.00 C ATOM 442 CE LYS A 27 -5.857 2.430 -17.408 1.00 0.00 C ATOM 443 NZ LYS A 27 -5.594 2.258 -15.953 1.00 0.00 N ATOM 0 H LYS A 27 -3.472 -2.393 -17.702 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.903 -1.980 -19.365 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.195 -0.643 -18.818 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.272 -0.032 -20.058 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.119 -0.012 -18.212 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.817 -0.242 -17.062 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.785 1.850 -17.623 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.649 1.974 -19.142 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.839 3.483 -17.691 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.839 2.044 -17.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.453 1.905 -15.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.821 1.576 -15.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.325 3.173 -15.538 1.00 0.00 H new ATOM 457 N SER A 28 -3.284 -3.410 -20.574 1.00 0.00 N ATOM 458 CA SER A 28 -2.761 -4.047 -21.822 1.00 0.00 C ATOM 459 C SER A 28 -3.697 -5.176 -22.263 1.00 0.00 C ATOM 460 O SER A 28 -4.054 -5.279 -23.421 1.00 0.00 O ATOM 461 CB SER A 28 -1.387 -4.603 -21.446 1.00 0.00 C ATOM 462 OG SER A 28 -0.429 -3.553 -21.484 1.00 0.00 O ATOM 0 H SER A 28 -2.781 -3.654 -19.721 1.00 0.00 H new ATOM 0 HA SER A 28 -2.696 -3.341 -22.650 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.421 -5.044 -20.450 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.102 -5.396 -22.137 1.00 0.00 H new ATOM 0 HG SER A 28 0.453 -3.906 -21.242 1.00 0.00 H new ATOM 468 N GLU A 29 -4.099 -6.019 -21.344 1.00 0.00 N ATOM 469 CA GLU A 29 -5.020 -7.142 -21.699 1.00 0.00 C ATOM 470 C GLU A 29 -6.490 -6.698 -21.607 1.00 0.00 C ATOM 471 O GLU A 29 -7.392 -7.485 -21.820 1.00 0.00 O ATOM 472 CB GLU A 29 -4.724 -8.232 -20.669 1.00 0.00 C ATOM 473 CG GLU A 29 -3.274 -8.695 -20.818 1.00 0.00 C ATOM 474 CD GLU A 29 -2.997 -9.833 -19.834 1.00 0.00 C ATOM 475 OE1 GLU A 29 -3.551 -10.903 -20.025 1.00 0.00 O ATOM 476 OE2 GLU A 29 -2.235 -9.616 -18.907 1.00 0.00 O ATOM 0 H GLU A 29 -3.828 -5.977 -20.361 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.866 -7.486 -22.722 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.894 -7.851 -19.662 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.402 -9.074 -20.810 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.092 -9.031 -21.839 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.595 -7.864 -20.629 1.00 0.00 H new ATOM 483 N HIS A 30 -6.737 -5.442 -21.312 1.00 0.00 N ATOM 484 CA HIS A 30 -8.140 -4.942 -21.231 1.00 0.00 C ATOM 485 C HIS A 30 -8.153 -3.463 -21.627 1.00 0.00 C ATOM 486 O HIS A 30 -8.046 -2.602 -20.776 1.00 0.00 O ATOM 487 CB HIS A 30 -8.581 -5.104 -19.773 1.00 0.00 C ATOM 488 CG HIS A 30 -8.500 -6.548 -19.362 1.00 0.00 C ATOM 489 ND1 HIS A 30 -9.600 -7.391 -19.400 1.00 0.00 N ATOM 490 CD2 HIS A 30 -7.463 -7.306 -18.886 1.00 0.00 C ATOM 491 CE1 HIS A 30 -9.201 -8.597 -18.954 1.00 0.00 C ATOM 492 NE2 HIS A 30 -7.906 -8.600 -18.628 1.00 0.00 N ATOM 0 H HIS A 30 -6.020 -4.741 -21.124 1.00 0.00 H new ATOM 0 HA HIS A 30 -8.810 -5.488 -21.895 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -7.948 -4.498 -19.125 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.602 -4.741 -19.652 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.454 -6.953 -18.734 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.849 -9.457 -18.870 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.359 -9.382 -18.268 1.00 0.00 H new ATOM 500 N PRO A 31 -8.272 -3.208 -22.910 1.00 0.00 N ATOM 501 CA PRO A 31 -8.284 -1.808 -23.399 1.00 0.00 C ATOM 502 C PRO A 31 -9.530 -1.086 -22.891 1.00 0.00 C ATOM 503 O PRO A 31 -10.502 -0.919 -23.602 1.00 0.00 O ATOM 504 CB PRO A 31 -8.301 -1.959 -24.922 1.00 0.00 C ATOM 505 CG PRO A 31 -8.878 -3.317 -25.159 1.00 0.00 C ATOM 506 CD PRO A 31 -8.414 -4.172 -24.011 1.00 0.00 C ATOM 0 HA PRO A 31 -7.435 -1.217 -23.054 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.907 -1.183 -25.391 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.298 -1.876 -25.340 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.966 -3.277 -25.200 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -8.538 -3.724 -26.111 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.137 -4.952 -23.772 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.470 -4.669 -24.235 1.00 0.00 H new ATOM 514 N GLY A 32 -9.500 -0.667 -21.653 1.00 0.00 N ATOM 515 CA GLY A 32 -10.670 0.038 -21.065 1.00 0.00 C ATOM 516 C GLY A 32 -11.201 -0.770 -19.881 1.00 0.00 C ATOM 517 O GLY A 32 -12.330 -1.223 -19.888 1.00 0.00 O ATOM 0 H GLY A 32 -8.708 -0.785 -21.022 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.381 1.037 -20.739 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -11.450 0.161 -21.816 1.00 0.00 H new ATOM 521 N LEU A 33 -10.416 -0.916 -18.841 1.00 0.00 N ATOM 522 CA LEU A 33 -10.880 -1.645 -17.624 1.00 0.00 C ATOM 523 C LEU A 33 -11.134 -0.602 -16.534 1.00 0.00 C ATOM 524 O LEU A 33 -10.491 0.432 -16.520 1.00 0.00 O ATOM 525 CB LEU A 33 -9.709 -2.572 -17.260 1.00 0.00 C ATOM 526 CG LEU A 33 -10.204 -3.921 -16.706 1.00 0.00 C ATOM 527 CD1 LEU A 33 -10.867 -3.709 -15.348 1.00 0.00 C ATOM 528 CD2 LEU A 33 -11.206 -4.576 -17.670 1.00 0.00 C ATOM 0 H LEU A 33 -9.463 -0.556 -18.785 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.797 -2.219 -17.759 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.093 -2.745 -18.143 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.075 -2.085 -16.519 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.345 -4.582 -16.597 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.216 -4.666 -14.960 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.146 -3.277 -14.654 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.714 -3.032 -15.458 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.541 -5.527 -17.256 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.064 -3.917 -17.806 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.725 -4.748 -18.633 1.00 0.00 H new ATOM 540 N SER A 34 -12.047 -0.837 -15.625 1.00 0.00 N ATOM 541 CA SER A 34 -12.308 0.175 -14.558 1.00 0.00 C ATOM 542 C SER A 34 -11.710 -0.298 -13.230 1.00 0.00 C ATOM 543 O SER A 34 -10.886 -1.193 -13.196 1.00 0.00 O ATOM 544 CB SER A 34 -13.831 0.248 -14.470 1.00 0.00 C ATOM 545 OG SER A 34 -14.358 -1.066 -14.345 1.00 0.00 O ATOM 0 H SER A 34 -12.619 -1.680 -15.576 1.00 0.00 H new ATOM 0 HA SER A 34 -11.862 1.145 -14.776 1.00 0.00 H new ATOM 0 HB2 SER A 34 -14.129 0.854 -13.615 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.235 0.731 -15.359 1.00 0.00 H new ATOM 0 HG SER A 34 -15.335 -1.022 -14.287 1.00 0.00 H new ATOM 551 N ILE A 35 -12.126 0.291 -12.135 1.00 0.00 N ATOM 552 CA ILE A 35 -11.593 -0.128 -10.804 1.00 0.00 C ATOM 553 C ILE A 35 -12.460 -1.250 -10.206 1.00 0.00 C ATOM 554 O ILE A 35 -12.385 -1.534 -9.025 1.00 0.00 O ATOM 555 CB ILE A 35 -11.663 1.132 -9.931 1.00 0.00 C ATOM 556 CG1 ILE A 35 -10.852 2.270 -10.577 1.00 0.00 C ATOM 557 CG2 ILE A 35 -11.098 0.830 -8.538 1.00 0.00 C ATOM 558 CD1 ILE A 35 -9.383 1.856 -10.736 1.00 0.00 C ATOM 0 H ILE A 35 -12.813 1.045 -12.107 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.578 -0.519 -10.874 1.00 0.00 H new ATOM 0 HB ILE A 35 -12.705 1.441 -9.842 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.274 2.518 -11.551 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.919 3.168 -9.962 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -11.150 1.728 -7.922 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.682 0.036 -8.073 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.060 0.511 -8.628 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.823 2.671 -11.194 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.960 1.631 -9.757 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -9.321 0.972 -11.370 1.00 0.00 H new ATOM 570 N GLY A 36 -13.279 -1.892 -11.009 1.00 0.00 N ATOM 571 CA GLY A 36 -14.141 -2.990 -10.486 1.00 0.00 C ATOM 572 C GLY A 36 -13.466 -4.334 -10.756 1.00 0.00 C ATOM 573 O GLY A 36 -13.081 -5.039 -9.843 1.00 0.00 O ATOM 0 H GLY A 36 -13.384 -1.699 -12.005 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -14.305 -2.861 -9.416 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -15.120 -2.959 -10.965 1.00 0.00 H new ATOM 577 N ASP A 37 -13.319 -4.688 -12.007 1.00 0.00 N ATOM 578 CA ASP A 37 -12.664 -5.988 -12.348 1.00 0.00 C ATOM 579 C ASP A 37 -11.190 -5.956 -11.943 1.00 0.00 C ATOM 580 O ASP A 37 -10.697 -6.863 -11.299 1.00 0.00 O ATOM 581 CB ASP A 37 -12.797 -6.121 -13.868 1.00 0.00 C ATOM 582 CG ASP A 37 -14.194 -6.640 -14.216 1.00 0.00 C ATOM 583 OD1 ASP A 37 -15.149 -5.924 -13.965 1.00 0.00 O ATOM 584 OD2 ASP A 37 -14.284 -7.744 -14.725 1.00 0.00 O ATOM 0 H ASP A 37 -13.624 -4.134 -12.807 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.123 -6.828 -11.826 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.627 -5.155 -14.344 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.038 -6.803 -14.252 1.00 0.00 H new ATOM 589 N THR A 38 -10.480 -4.920 -12.320 1.00 0.00 N ATOM 590 CA THR A 38 -9.028 -4.827 -11.966 1.00 0.00 C ATOM 591 C THR A 38 -8.854 -4.856 -10.439 1.00 0.00 C ATOM 592 O THR A 38 -7.891 -5.397 -9.934 1.00 0.00 O ATOM 593 CB THR A 38 -8.557 -3.491 -12.578 1.00 0.00 C ATOM 594 OG1 THR A 38 -8.499 -3.625 -13.989 1.00 0.00 O ATOM 595 CG2 THR A 38 -7.165 -3.108 -12.058 1.00 0.00 C ATOM 0 H THR A 38 -10.844 -4.134 -12.858 1.00 0.00 H new ATOM 0 HA THR A 38 -8.442 -5.662 -12.349 1.00 0.00 H new ATOM 0 HB THR A 38 -9.263 -2.711 -12.293 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.359 -2.744 -14.396 1.00 0.00 H new ATOM 0 HG21 THR A 38 -6.857 -2.163 -12.505 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.198 -3.003 -10.974 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.450 -3.886 -12.326 1.00 0.00 H new ATOM 603 N ALA A 39 -9.780 -4.287 -9.709 1.00 0.00 N ATOM 604 CA ALA A 39 -9.668 -4.290 -8.216 1.00 0.00 C ATOM 605 C ALA A 39 -9.990 -5.683 -7.670 1.00 0.00 C ATOM 606 O ALA A 39 -9.483 -6.088 -6.642 1.00 0.00 O ATOM 607 CB ALA A 39 -10.703 -3.273 -7.732 1.00 0.00 C ATOM 0 H ALA A 39 -10.608 -3.821 -10.080 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.664 -4.036 -7.878 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -10.680 -3.220 -6.644 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -10.472 -2.292 -8.148 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.696 -3.581 -8.059 1.00 0.00 H new ATOM 613 N LYS A 40 -10.826 -6.418 -8.359 1.00 0.00 N ATOM 614 CA LYS A 40 -11.184 -7.791 -7.893 1.00 0.00 C ATOM 615 C LYS A 40 -10.050 -8.764 -8.225 1.00 0.00 C ATOM 616 O LYS A 40 -9.806 -9.716 -7.509 1.00 0.00 O ATOM 617 CB LYS A 40 -12.452 -8.159 -8.665 1.00 0.00 C ATOM 618 CG LYS A 40 -13.657 -7.469 -8.024 1.00 0.00 C ATOM 619 CD LYS A 40 -14.897 -7.695 -8.891 1.00 0.00 C ATOM 620 CE LYS A 40 -16.141 -7.213 -8.140 1.00 0.00 C ATOM 621 NZ LYS A 40 -17.287 -7.593 -9.010 1.00 0.00 N ATOM 0 H LYS A 40 -11.277 -6.125 -9.226 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.342 -7.836 -6.815 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.357 -7.855 -9.707 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.593 -9.240 -8.660 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.824 -7.864 -7.022 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.464 -6.401 -7.918 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.797 -7.157 -9.834 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.994 -8.753 -9.136 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -16.217 -7.683 -7.159 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -16.110 -6.136 -7.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -18.177 -7.295 -8.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.191 -7.125 -9.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -17.295 -8.624 -9.143 1.00 0.00 H new ATOM 635 N LYS A 41 -9.356 -8.523 -9.308 1.00 0.00 N ATOM 636 CA LYS A 41 -8.230 -9.421 -9.701 1.00 0.00 C ATOM 637 C LYS A 41 -6.954 -9.043 -8.937 1.00 0.00 C ATOM 638 O LYS A 41 -6.070 -9.858 -8.750 1.00 0.00 O ATOM 639 CB LYS A 41 -8.044 -9.191 -11.200 1.00 0.00 C ATOM 640 CG LYS A 41 -8.870 -10.215 -11.980 1.00 0.00 C ATOM 641 CD LYS A 41 -8.219 -10.466 -13.341 1.00 0.00 C ATOM 642 CE LYS A 41 -8.771 -9.471 -14.364 1.00 0.00 C ATOM 643 NZ LYS A 41 -8.204 -9.908 -15.670 1.00 0.00 N ATOM 0 H LYS A 41 -9.522 -7.739 -9.939 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.438 -10.466 -9.471 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.354 -8.180 -11.465 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.990 -9.281 -11.464 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.936 -11.147 -11.419 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.888 -9.850 -12.114 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.137 -10.361 -13.263 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.417 -11.487 -13.668 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.861 -9.487 -14.382 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.471 -8.451 -14.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.320 -9.148 -16.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.193 -10.121 -15.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.703 -10.760 -15.997 1.00 0.00 H new ATOM 657 N LEU A 42 -6.855 -7.814 -8.497 1.00 0.00 N ATOM 658 CA LEU A 42 -5.641 -7.374 -7.743 1.00 0.00 C ATOM 659 C LEU A 42 -5.738 -7.806 -6.280 1.00 0.00 C ATOM 660 O LEU A 42 -4.884 -8.505 -5.776 1.00 0.00 O ATOM 661 CB LEU A 42 -5.646 -5.849 -7.838 1.00 0.00 C ATOM 662 CG LEU A 42 -4.648 -5.389 -8.897 1.00 0.00 C ATOM 663 CD1 LEU A 42 -5.092 -5.870 -10.280 1.00 0.00 C ATOM 664 CD2 LEU A 42 -4.591 -3.866 -8.883 1.00 0.00 C ATOM 0 H LEU A 42 -7.565 -7.094 -8.628 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.729 -7.811 -8.149 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.646 -5.495 -8.091 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.389 -5.415 -6.872 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.664 -5.805 -8.679 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.374 -5.537 -11.029 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.145 -6.959 -10.287 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.074 -5.458 -10.511 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.881 -3.522 -9.635 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.579 -3.463 -9.105 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.272 -3.523 -7.899 1.00 0.00 H new ATOM 676 N GLY A 43 -6.778 -7.390 -5.594 1.00 0.00 N ATOM 677 CA GLY A 43 -6.941 -7.767 -4.152 1.00 0.00 C ATOM 678 C GLY A 43 -6.815 -9.285 -3.994 1.00 0.00 C ATOM 679 O GLY A 43 -6.378 -9.776 -2.970 1.00 0.00 O ATOM 0 H GLY A 43 -7.523 -6.804 -5.972 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.185 -7.266 -3.548 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.913 -7.434 -3.787 1.00 0.00 H new ATOM 683 N GLU A 44 -7.170 -10.025 -5.014 1.00 0.00 N ATOM 684 CA GLU A 44 -7.042 -11.507 -4.942 1.00 0.00 C ATOM 685 C GLU A 44 -5.562 -11.871 -5.028 1.00 0.00 C ATOM 686 O GLU A 44 -5.092 -12.775 -4.363 1.00 0.00 O ATOM 687 CB GLU A 44 -7.806 -12.044 -6.155 1.00 0.00 C ATOM 688 CG GLU A 44 -8.108 -13.530 -5.950 1.00 0.00 C ATOM 689 CD GLU A 44 -8.707 -14.111 -7.233 1.00 0.00 C ATOM 690 OE1 GLU A 44 -9.841 -13.779 -7.538 1.00 0.00 O ATOM 691 OE2 GLU A 44 -8.021 -14.877 -7.890 1.00 0.00 O ATOM 0 H GLU A 44 -7.543 -9.664 -5.892 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.438 -11.926 -4.017 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.734 -11.488 -6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.217 -11.903 -7.061 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.195 -14.065 -5.688 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.803 -13.660 -5.120 1.00 0.00 H new ATOM 698 N MET A 45 -4.820 -11.152 -5.835 1.00 0.00 N ATOM 699 CA MET A 45 -3.361 -11.425 -5.965 1.00 0.00 C ATOM 700 C MET A 45 -2.617 -10.789 -4.791 1.00 0.00 C ATOM 701 O MET A 45 -1.672 -11.347 -4.272 1.00 0.00 O ATOM 702 CB MET A 45 -2.941 -10.771 -7.283 1.00 0.00 C ATOM 703 CG MET A 45 -3.179 -11.745 -8.436 1.00 0.00 C ATOM 704 SD MET A 45 -3.231 -10.829 -9.996 1.00 0.00 S ATOM 705 CE MET A 45 -4.345 -11.950 -10.880 1.00 0.00 C ATOM 0 H MET A 45 -5.167 -10.385 -6.411 1.00 0.00 H new ATOM 0 HA MET A 45 -3.135 -12.491 -5.959 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.510 -9.855 -7.444 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.889 -10.490 -7.242 1.00 0.00 H new ATOM 0 HG2 MET A 45 -2.385 -12.491 -8.466 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.116 -12.282 -8.285 1.00 0.00 H new ATOM 0 HE1 MET A 45 -4.519 -11.571 -11.887 1.00 0.00 H new ATOM 0 HE2 MET A 45 -3.894 -12.940 -10.938 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.294 -12.014 -10.348 1.00 0.00 H new ATOM 715 N TRP A 46 -3.054 -9.629 -4.351 1.00 0.00 N ATOM 716 CA TRP A 46 -2.385 -8.960 -3.189 1.00 0.00 C ATOM 717 C TRP A 46 -2.416 -9.904 -1.982 1.00 0.00 C ATOM 718 O TRP A 46 -1.393 -10.237 -1.416 1.00 0.00 O ATOM 719 CB TRP A 46 -3.204 -7.686 -2.925 1.00 0.00 C ATOM 720 CG TRP A 46 -2.653 -6.969 -1.733 1.00 0.00 C ATOM 721 CD1 TRP A 46 -3.366 -6.582 -0.650 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.283 -6.552 -1.490 1.00 0.00 C ATOM 723 NE1 TRP A 46 -2.515 -5.952 0.241 1.00 0.00 N ATOM 724 CE2 TRP A 46 -1.219 -5.909 -0.234 1.00 0.00 C ATOM 725 CE3 TRP A 46 -0.100 -6.670 -2.237 1.00 0.00 C ATOM 726 CZ2 TRP A 46 -0.020 -5.399 0.264 1.00 0.00 C ATOM 727 CZ3 TRP A 46 1.108 -6.158 -1.741 1.00 0.00 C ATOM 728 CH2 TRP A 46 1.148 -5.524 -0.493 1.00 0.00 C ATOM 0 H TRP A 46 -3.844 -9.119 -4.747 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.340 -8.716 -3.381 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -3.174 -7.035 -3.799 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.250 -7.943 -2.755 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.425 -6.739 -0.505 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.809 -5.567 1.139 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.120 -7.158 -3.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 0.005 -4.911 1.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.012 -6.253 -2.325 1.00 0.00 H new ATOM 0 HH2 TRP A 46 2.081 -5.132 -0.116 1.00 0.00 H new ATOM 739 N SER A 47 -3.588 -10.353 -1.606 1.00 0.00 N ATOM 740 CA SER A 47 -3.701 -11.299 -0.455 1.00 0.00 C ATOM 741 C SER A 47 -3.029 -12.638 -0.795 1.00 0.00 C ATOM 742 O SER A 47 -2.825 -13.471 0.068 1.00 0.00 O ATOM 743 CB SER A 47 -5.204 -11.497 -0.245 1.00 0.00 C ATOM 744 OG SER A 47 -5.457 -11.744 1.132 1.00 0.00 O ATOM 0 H SER A 47 -4.473 -10.104 -2.048 1.00 0.00 H new ATOM 0 HA SER A 47 -3.210 -10.914 0.439 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.749 -10.612 -0.574 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.560 -12.332 -0.848 1.00 0.00 H new ATOM 0 HG SER A 47 -6.419 -11.870 1.270 1.00 0.00 H new ATOM 750 N GLU A 48 -2.668 -12.848 -2.043 1.00 0.00 N ATOM 751 CA GLU A 48 -1.997 -14.116 -2.437 1.00 0.00 C ATOM 752 C GLU A 48 -0.509 -13.877 -2.699 1.00 0.00 C ATOM 753 O GLU A 48 0.245 -14.817 -2.878 1.00 0.00 O ATOM 754 CB GLU A 48 -2.706 -14.541 -3.723 1.00 0.00 C ATOM 755 CG GLU A 48 -4.010 -15.262 -3.377 1.00 0.00 C ATOM 756 CD GLU A 48 -3.714 -16.728 -3.052 1.00 0.00 C ATOM 757 OE1 GLU A 48 -3.393 -17.008 -1.909 1.00 0.00 O ATOM 758 OE2 GLU A 48 -3.812 -17.545 -3.952 1.00 0.00 O ATOM 0 H GLU A 48 -2.814 -12.186 -2.805 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.057 -14.877 -1.659 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.915 -13.667 -4.341 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.060 -15.197 -4.306 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.489 -14.780 -2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.706 -15.198 -4.213 1.00 0.00 H new ATOM 765 N GLN A 49 -0.070 -12.639 -2.713 1.00 0.00 N ATOM 766 CA GLN A 49 1.374 -12.372 -2.951 1.00 0.00 C ATOM 767 C GLN A 49 2.166 -12.783 -1.714 1.00 0.00 C ATOM 768 O GLN A 49 1.696 -12.666 -0.597 1.00 0.00 O ATOM 769 CB GLN A 49 1.485 -10.856 -3.187 1.00 0.00 C ATOM 770 CG GLN A 49 1.860 -10.581 -4.646 1.00 0.00 C ATOM 771 CD GLN A 49 0.706 -10.991 -5.564 1.00 0.00 C ATOM 772 OE1 GLN A 49 -0.154 -10.191 -5.865 1.00 0.00 O ATOM 773 NE2 GLN A 49 0.649 -12.212 -6.024 1.00 0.00 N ATOM 0 H GLN A 49 -0.649 -11.812 -2.570 1.00 0.00 H new ATOM 0 HA GLN A 49 1.768 -12.930 -3.801 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.538 -10.372 -2.949 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.237 -10.430 -2.523 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.085 -9.523 -4.780 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.761 -11.135 -4.910 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.372 -12.886 -5.772 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.118 -12.491 -6.635 1.00 0.00 H new ATOM 782 N SER A 50 3.369 -13.233 -1.907 1.00 0.00 N ATOM 783 CA SER A 50 4.223 -13.627 -0.752 1.00 0.00 C ATOM 784 C SER A 50 5.098 -12.433 -0.364 1.00 0.00 C ATOM 785 O SER A 50 4.723 -11.295 -0.578 1.00 0.00 O ATOM 786 CB SER A 50 5.072 -14.791 -1.265 1.00 0.00 C ATOM 787 OG SER A 50 6.017 -14.302 -2.209 1.00 0.00 O ATOM 0 H SER A 50 3.804 -13.347 -2.823 1.00 0.00 H new ATOM 0 HA SER A 50 3.653 -13.919 0.130 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.587 -15.275 -0.435 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.435 -15.545 -1.728 1.00 0.00 H new ATOM 0 HG SER A 50 6.564 -15.045 -2.539 1.00 0.00 H new ATOM 793 N ALA A 51 6.258 -12.672 0.192 1.00 0.00 N ATOM 794 CA ALA A 51 7.147 -11.532 0.573 1.00 0.00 C ATOM 795 C ALA A 51 7.692 -10.839 -0.685 1.00 0.00 C ATOM 796 O ALA A 51 8.123 -9.704 -0.636 1.00 0.00 O ATOM 797 CB ALA A 51 8.286 -12.160 1.380 1.00 0.00 C ATOM 0 H ALA A 51 6.627 -13.600 0.398 1.00 0.00 H new ATOM 0 HA ALA A 51 6.617 -10.773 1.148 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.981 -11.382 1.695 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.877 -12.659 2.259 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.812 -12.887 0.762 1.00 0.00 H new ATOM 803 N LYS A 52 7.676 -11.512 -1.812 1.00 0.00 N ATOM 804 CA LYS A 52 8.195 -10.887 -3.070 1.00 0.00 C ATOM 805 C LYS A 52 7.405 -9.615 -3.402 1.00 0.00 C ATOM 806 O LYS A 52 7.978 -8.575 -3.666 1.00 0.00 O ATOM 807 CB LYS A 52 7.991 -11.942 -4.161 1.00 0.00 C ATOM 808 CG LYS A 52 9.131 -11.853 -5.176 1.00 0.00 C ATOM 809 CD LYS A 52 9.225 -13.166 -5.956 1.00 0.00 C ATOM 810 CE LYS A 52 8.233 -13.142 -7.120 1.00 0.00 C ATOM 811 NZ LYS A 52 8.564 -14.345 -7.933 1.00 0.00 N ATOM 0 H LYS A 52 7.327 -12.465 -1.914 1.00 0.00 H new ATOM 0 HA LYS A 52 9.241 -10.596 -2.977 1.00 0.00 H new ATOM 0 HB2 LYS A 52 7.961 -12.937 -3.718 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.034 -11.786 -4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.958 -11.023 -5.861 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.073 -11.654 -4.664 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.239 -13.306 -6.331 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.009 -14.008 -5.298 1.00 0.00 H new ATOM 0 HE2 LYS A 52 7.204 -13.178 -6.762 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.335 -12.229 -7.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.925 -14.397 -8.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.547 -14.280 -8.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.452 -15.199 -7.351 1.00 0.00 H new ATOM 825 N ASP A 53 6.097 -9.692 -3.389 1.00 0.00 N ATOM 826 CA ASP A 53 5.269 -8.487 -3.701 1.00 0.00 C ATOM 827 C ASP A 53 4.294 -8.201 -2.555 1.00 0.00 C ATOM 828 O ASP A 53 3.088 -8.245 -2.715 1.00 0.00 O ATOM 829 CB ASP A 53 4.507 -8.841 -4.972 1.00 0.00 C ATOM 830 CG ASP A 53 5.345 -8.463 -6.195 1.00 0.00 C ATOM 831 OD1 ASP A 53 6.360 -9.105 -6.414 1.00 0.00 O ATOM 832 OD2 ASP A 53 4.958 -7.540 -6.892 1.00 0.00 O ATOM 0 H ASP A 53 5.567 -10.537 -3.176 1.00 0.00 H new ATOM 0 HA ASP A 53 5.880 -7.594 -3.830 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.282 -9.907 -4.988 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.553 -8.314 -4.995 1.00 0.00 H new ATOM 837 N LYS A 54 4.824 -7.906 -1.398 1.00 0.00 N ATOM 838 CA LYS A 54 3.965 -7.606 -0.219 1.00 0.00 C ATOM 839 C LYS A 54 4.808 -7.120 0.966 1.00 0.00 C ATOM 840 O LYS A 54 4.373 -6.295 1.746 1.00 0.00 O ATOM 841 CB LYS A 54 3.298 -8.937 0.115 1.00 0.00 C ATOM 842 CG LYS A 54 1.847 -8.695 0.534 1.00 0.00 C ATOM 843 CD LYS A 54 1.296 -9.932 1.243 1.00 0.00 C ATOM 844 CE LYS A 54 2.005 -10.119 2.590 1.00 0.00 C ATOM 845 NZ LYS A 54 1.002 -9.717 3.615 1.00 0.00 N ATOM 0 H LYS A 54 5.827 -7.860 -1.219 1.00 0.00 H new ATOM 0 HA LYS A 54 3.245 -6.815 -0.428 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.331 -9.599 -0.750 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.841 -9.435 0.918 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.790 -7.831 1.196 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.240 -8.467 -0.342 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.222 -9.825 1.399 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.441 -10.814 0.620 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.319 -11.153 2.730 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.902 -9.502 2.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.416 -9.818 4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.727 -8.726 3.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.162 -10.326 3.536 1.00 0.00 H new ATOM 859 N GLN A 55 6.002 -7.631 1.107 1.00 0.00 N ATOM 860 CA GLN A 55 6.873 -7.209 2.249 1.00 0.00 C ATOM 861 C GLN A 55 7.447 -5.799 2.021 1.00 0.00 C ATOM 862 O GLN A 55 7.309 -4.946 2.875 1.00 0.00 O ATOM 863 CB GLN A 55 8.000 -8.243 2.303 1.00 0.00 C ATOM 864 CG GLN A 55 7.620 -9.362 3.274 1.00 0.00 C ATOM 865 CD GLN A 55 7.559 -8.805 4.698 1.00 0.00 C ATOM 866 OE1 GLN A 55 8.547 -8.326 5.219 1.00 0.00 O ATOM 867 NE2 GLN A 55 6.433 -8.849 5.356 1.00 0.00 N ATOM 0 H GLN A 55 6.414 -8.323 0.482 1.00 0.00 H new ATOM 0 HA GLN A 55 6.311 -7.165 3.182 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.178 -8.654 1.309 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.928 -7.769 2.623 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.655 -9.786 2.997 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.351 -10.169 3.219 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.603 -9.251 4.920 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.383 -8.482 6.306 1.00 0.00 H new ATOM 876 N PRO A 56 8.086 -5.586 0.889 1.00 0.00 N ATOM 877 CA PRO A 56 8.678 -4.252 0.608 1.00 0.00 C ATOM 878 C PRO A 56 7.596 -3.206 0.296 1.00 0.00 C ATOM 879 O PRO A 56 7.884 -2.027 0.202 1.00 0.00 O ATOM 880 CB PRO A 56 9.564 -4.497 -0.610 1.00 0.00 C ATOM 881 CG PRO A 56 8.974 -5.693 -1.285 1.00 0.00 C ATOM 882 CD PRO A 56 8.321 -6.531 -0.219 1.00 0.00 C ATOM 0 HA PRO A 56 9.227 -3.855 1.462 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.570 -3.632 -1.274 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.597 -4.680 -0.316 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.245 -5.390 -2.036 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.746 -6.262 -1.802 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.388 -6.970 -0.573 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.964 -7.355 0.090 1.00 0.00 H new ATOM 890 N TYR A 57 6.360 -3.617 0.130 1.00 0.00 N ATOM 891 CA TYR A 57 5.278 -2.632 -0.178 1.00 0.00 C ATOM 892 C TYR A 57 4.642 -2.110 1.114 1.00 0.00 C ATOM 893 O TYR A 57 4.267 -0.955 1.202 1.00 0.00 O ATOM 894 CB TYR A 57 4.253 -3.407 -1.009 1.00 0.00 C ATOM 895 CG TYR A 57 4.763 -3.566 -2.424 1.00 0.00 C ATOM 896 CD1 TYR A 57 5.186 -2.445 -3.150 1.00 0.00 C ATOM 897 CD2 TYR A 57 4.815 -4.836 -3.009 1.00 0.00 C ATOM 898 CE1 TYR A 57 5.662 -2.594 -4.457 1.00 0.00 C ATOM 899 CE2 TYR A 57 5.290 -4.985 -4.318 1.00 0.00 C ATOM 900 CZ TYR A 57 5.714 -3.863 -5.043 1.00 0.00 C ATOM 901 OH TYR A 57 6.186 -4.009 -6.333 1.00 0.00 O ATOM 0 H TYR A 57 6.056 -4.589 0.195 1.00 0.00 H new ATOM 0 HA TYR A 57 5.659 -1.762 -0.712 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.074 -4.386 -0.564 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.299 -2.880 -1.013 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.145 -1.464 -2.700 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.489 -5.701 -2.451 1.00 0.00 H new ATOM 0 HE1 TYR A 57 5.990 -1.729 -5.014 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.330 -5.965 -4.769 1.00 0.00 H new ATOM 0 HH TYR A 57 5.795 -4.812 -6.736 1.00 0.00 H new ATOM 911 N GLU A 58 4.519 -2.949 2.113 1.00 0.00 N ATOM 912 CA GLU A 58 3.906 -2.495 3.398 1.00 0.00 C ATOM 913 C GLU A 58 4.968 -1.849 4.298 1.00 0.00 C ATOM 914 O GLU A 58 4.658 -1.019 5.129 1.00 0.00 O ATOM 915 CB GLU A 58 3.326 -3.761 4.045 1.00 0.00 C ATOM 916 CG GLU A 58 4.445 -4.772 4.339 1.00 0.00 C ATOM 917 CD GLU A 58 4.708 -4.830 5.847 1.00 0.00 C ATOM 918 OE1 GLU A 58 5.248 -3.870 6.371 1.00 0.00 O ATOM 919 OE2 GLU A 58 4.364 -5.833 6.450 1.00 0.00 O ATOM 0 H GLU A 58 4.816 -3.925 2.094 1.00 0.00 H new ATOM 0 HA GLU A 58 3.134 -1.742 3.240 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.810 -3.501 4.969 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.586 -4.210 3.382 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.162 -5.758 3.972 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.355 -4.485 3.813 1.00 0.00 H new ATOM 926 N GLN A 59 6.217 -2.207 4.123 1.00 0.00 N ATOM 927 CA GLN A 59 7.299 -1.595 4.954 1.00 0.00 C ATOM 928 C GLN A 59 7.799 -0.292 4.308 1.00 0.00 C ATOM 929 O GLN A 59 8.639 0.396 4.858 1.00 0.00 O ATOM 930 CB GLN A 59 8.418 -2.632 4.982 1.00 0.00 C ATOM 931 CG GLN A 59 7.909 -3.921 5.631 1.00 0.00 C ATOM 932 CD GLN A 59 9.059 -4.925 5.745 1.00 0.00 C ATOM 933 OE1 GLN A 59 9.415 -5.338 6.830 1.00 0.00 O ATOM 934 NE2 GLN A 59 9.659 -5.336 4.661 1.00 0.00 N ATOM 0 H GLN A 59 6.533 -2.896 3.441 1.00 0.00 H new ATOM 0 HA GLN A 59 6.949 -1.342 5.955 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.764 -2.835 3.969 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.272 -2.245 5.539 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.500 -3.707 6.618 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.100 -4.345 5.036 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.360 -4.989 3.750 1.00 0.00 H new ATOM 0 HE22 GLN A 59 10.427 -6.004 4.725 1.00 0.00 H new ATOM 943 N LYS A 60 7.276 0.061 3.157 1.00 0.00 N ATOM 944 CA LYS A 60 7.698 1.321 2.485 1.00 0.00 C ATOM 945 C LYS A 60 6.602 2.373 2.664 1.00 0.00 C ATOM 946 O LYS A 60 6.865 3.559 2.704 1.00 0.00 O ATOM 947 CB LYS A 60 7.859 0.950 1.009 1.00 0.00 C ATOM 948 CG LYS A 60 8.462 2.132 0.243 1.00 0.00 C ATOM 949 CD LYS A 60 7.348 2.914 -0.458 1.00 0.00 C ATOM 950 CE LYS A 60 7.936 4.166 -1.112 1.00 0.00 C ATOM 951 NZ LYS A 60 6.852 4.686 -1.991 1.00 0.00 N ATOM 0 H LYS A 60 6.570 -0.477 2.655 1.00 0.00 H new ATOM 0 HA LYS A 60 8.620 1.734 2.893 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.502 0.075 0.912 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.892 0.684 0.583 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.002 2.785 0.929 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.184 1.773 -0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.869 2.289 -1.211 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.578 3.194 0.261 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.225 4.904 -0.363 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.831 3.928 -1.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 7.180 5.546 -2.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.602 3.965 -2.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.016 4.911 -1.415 1.00 0.00 H new ATOM 965 N ALA A 61 5.372 1.934 2.786 1.00 0.00 N ATOM 966 CA ALA A 61 4.244 2.887 2.978 1.00 0.00 C ATOM 967 C ALA A 61 3.941 3.037 4.470 1.00 0.00 C ATOM 968 O ALA A 61 3.493 4.074 4.921 1.00 0.00 O ATOM 969 CB ALA A 61 3.062 2.245 2.253 1.00 0.00 C ATOM 0 H ALA A 61 5.104 0.950 2.760 1.00 0.00 H new ATOM 0 HA ALA A 61 4.466 3.882 2.593 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.186 2.887 2.346 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.308 2.117 1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 61 2.848 1.272 2.696 1.00 0.00 H new ATOM 975 N ALA A 62 4.185 2.003 5.236 1.00 0.00 N ATOM 976 CA ALA A 62 3.916 2.072 6.703 1.00 0.00 C ATOM 977 C ALA A 62 4.990 2.909 7.398 1.00 0.00 C ATOM 978 O ALA A 62 4.720 3.585 8.373 1.00 0.00 O ATOM 979 CB ALA A 62 3.962 0.625 7.196 1.00 0.00 C ATOM 0 H ALA A 62 4.560 1.113 4.907 1.00 0.00 H new ATOM 0 HA ALA A 62 2.956 2.540 6.919 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.772 0.600 8.269 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.201 0.040 6.679 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.946 0.202 6.992 1.00 0.00 H new ATOM 985 N LYS A 63 6.203 2.886 6.898 1.00 0.00 N ATOM 986 CA LYS A 63 7.287 3.700 7.527 1.00 0.00 C ATOM 987 C LYS A 63 7.318 5.116 6.923 1.00 0.00 C ATOM 988 O LYS A 63 8.055 5.970 7.379 1.00 0.00 O ATOM 989 CB LYS A 63 8.581 2.953 7.207 1.00 0.00 C ATOM 990 CG LYS A 63 9.717 3.502 8.072 1.00 0.00 C ATOM 991 CD LYS A 63 9.757 2.748 9.402 1.00 0.00 C ATOM 992 CE LYS A 63 10.386 1.368 9.188 1.00 0.00 C ATOM 993 NZ LYS A 63 10.821 0.930 10.544 1.00 0.00 N ATOM 0 H LYS A 63 6.487 2.340 6.084 1.00 0.00 H new ATOM 0 HA LYS A 63 7.138 3.820 8.600 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.452 1.886 7.392 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.827 3.066 6.151 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.669 3.394 7.552 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.570 4.567 8.250 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.333 3.312 10.135 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.749 2.642 9.803 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.668 0.669 8.759 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.230 1.421 8.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.263 -0.009 10.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.509 1.611 10.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.996 0.882 11.175 1.00 0.00 H new ATOM 1007 N LEU A 64 6.516 5.373 5.915 1.00 0.00 N ATOM 1008 CA LEU A 64 6.489 6.731 5.297 1.00 0.00 C ATOM 1009 C LEU A 64 5.219 7.471 5.730 1.00 0.00 C ATOM 1010 O LEU A 64 5.171 8.686 5.743 1.00 0.00 O ATOM 1011 CB LEU A 64 6.476 6.485 3.788 1.00 0.00 C ATOM 1012 CG LEU A 64 7.887 6.667 3.225 1.00 0.00 C ATOM 1013 CD1 LEU A 64 7.933 6.149 1.787 1.00 0.00 C ATOM 1014 CD2 LEU A 64 8.254 8.152 3.243 1.00 0.00 C ATOM 0 H LEU A 64 5.879 4.696 5.495 1.00 0.00 H new ATOM 0 HA LEU A 64 7.340 7.342 5.598 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.117 5.478 3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 64 5.788 7.177 3.303 1.00 0.00 H new ATOM 0 HG LEU A 64 8.597 6.109 3.835 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.938 6.279 1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.670 5.091 1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.224 6.707 1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 64 9.259 8.283 2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.544 8.710 2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.221 8.523 4.268 1.00 0.00 H new ATOM 1026 N LYS A 65 4.189 6.741 6.090 1.00 0.00 N ATOM 1027 CA LYS A 65 2.920 7.391 6.530 1.00 0.00 C ATOM 1028 C LYS A 65 3.105 8.004 7.921 1.00 0.00 C ATOM 1029 O LYS A 65 2.640 9.095 8.195 1.00 0.00 O ATOM 1030 CB LYS A 65 1.883 6.262 6.566 1.00 0.00 C ATOM 1031 CG LYS A 65 0.523 6.824 6.986 1.00 0.00 C ATOM 1032 CD LYS A 65 -0.457 5.672 7.217 1.00 0.00 C ATOM 1033 CE LYS A 65 -0.314 5.158 8.650 1.00 0.00 C ATOM 1034 NZ LYS A 65 -1.215 3.974 8.726 1.00 0.00 N ATOM 0 H LYS A 65 4.176 5.721 6.097 1.00 0.00 H new ATOM 0 HA LYS A 65 2.612 8.197 5.864 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.807 5.794 5.585 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.199 5.487 7.265 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.627 7.415 7.896 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.140 7.492 6.215 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.478 6.009 7.041 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.261 4.866 6.509 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.718 4.884 8.870 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.602 5.921 9.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.171 3.565 9.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.191 4.267 8.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.912 3.262 8.031 1.00 0.00 H new ATOM 1048 N GLU A 66 3.784 7.307 8.799 1.00 0.00 N ATOM 1049 CA GLU A 66 4.007 7.845 10.178 1.00 0.00 C ATOM 1050 C GLU A 66 4.833 9.132 10.115 1.00 0.00 C ATOM 1051 O GLU A 66 4.647 10.038 10.905 1.00 0.00 O ATOM 1052 CB GLU A 66 4.779 6.749 10.919 1.00 0.00 C ATOM 1053 CG GLU A 66 4.629 6.952 12.428 1.00 0.00 C ATOM 1054 CD GLU A 66 5.578 8.058 12.891 1.00 0.00 C ATOM 1055 OE1 GLU A 66 6.779 7.861 12.794 1.00 0.00 O ATOM 1056 OE2 GLU A 66 5.089 9.083 13.334 1.00 0.00 O ATOM 0 H GLU A 66 4.193 6.390 8.621 1.00 0.00 H new ATOM 0 HA GLU A 66 3.070 8.090 10.679 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.401 5.767 10.634 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.832 6.779 10.640 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.600 7.217 12.669 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.851 6.024 12.954 1.00 0.00 H new ATOM 1063 N LYS A 67 5.743 9.217 9.178 1.00 0.00 N ATOM 1064 CA LYS A 67 6.588 10.446 9.053 1.00 0.00 C ATOM 1065 C LYS A 67 5.773 11.603 8.460 1.00 0.00 C ATOM 1066 O LYS A 67 6.110 12.757 8.637 1.00 0.00 O ATOM 1067 CB LYS A 67 7.725 10.054 8.107 1.00 0.00 C ATOM 1068 CG LYS A 67 8.910 11.000 8.315 1.00 0.00 C ATOM 1069 CD LYS A 67 9.715 10.550 9.535 1.00 0.00 C ATOM 1070 CE LYS A 67 11.140 11.100 9.439 1.00 0.00 C ATOM 1071 NZ LYS A 67 11.952 10.216 10.320 1.00 0.00 N ATOM 0 H LYS A 67 5.938 8.488 8.492 1.00 0.00 H new ATOM 0 HA LYS A 67 6.958 10.786 10.020 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.030 9.025 8.295 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.385 10.102 7.073 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.545 11.005 7.429 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.554 12.020 8.457 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.238 10.904 10.449 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.737 9.462 9.588 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.504 11.076 8.412 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.186 12.138 9.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.944 10.529 10.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.586 10.264 11.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.894 9.236 9.977 1.00 0.00 H new ATOM 1085 N TYR A 68 4.701 11.302 7.769 1.00 0.00 N ATOM 1086 CA TYR A 68 3.852 12.380 7.166 1.00 0.00 C ATOM 1087 C TYR A 68 3.053 13.087 8.266 1.00 0.00 C ATOM 1088 O TYR A 68 2.793 14.273 8.200 1.00 0.00 O ATOM 1089 CB TYR A 68 2.915 11.638 6.208 1.00 0.00 C ATOM 1090 CG TYR A 68 2.186 12.613 5.312 1.00 0.00 C ATOM 1091 CD1 TYR A 68 2.897 13.569 4.578 1.00 0.00 C ATOM 1092 CD2 TYR A 68 0.792 12.547 5.209 1.00 0.00 C ATOM 1093 CE1 TYR A 68 2.209 14.457 3.743 1.00 0.00 C ATOM 1094 CE2 TYR A 68 0.107 13.434 4.373 1.00 0.00 C ATOM 1095 CZ TYR A 68 0.815 14.389 3.640 1.00 0.00 C ATOM 1096 OH TYR A 68 0.139 15.261 2.812 1.00 0.00 O ATOM 0 H TYR A 68 4.375 10.351 7.595 1.00 0.00 H new ATOM 0 HA TYR A 68 4.436 13.146 6.656 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.488 10.937 5.601 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.194 11.051 6.778 1.00 0.00 H new ATOM 0 HD1 TYR A 68 3.973 13.621 4.656 1.00 0.00 H new ATOM 0 HD2 TYR A 68 0.244 11.809 5.776 1.00 0.00 H new ATOM 0 HE1 TYR A 68 2.755 15.197 3.177 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -0.969 13.381 4.294 1.00 0.00 H new ATOM 0 HH TYR A 68 0.414 15.110 1.884 1.00 0.00 H new ATOM 1106 N GLU A 69 2.662 12.352 9.273 1.00 0.00 N ATOM 1107 CA GLU A 69 1.872 12.951 10.395 1.00 0.00 C ATOM 1108 C GLU A 69 2.677 14.059 11.074 1.00 0.00 C ATOM 1109 O GLU A 69 2.139 15.076 11.471 1.00 0.00 O ATOM 1110 CB GLU A 69 1.617 11.799 11.370 1.00 0.00 C ATOM 1111 CG GLU A 69 0.705 10.762 10.709 1.00 0.00 C ATOM 1112 CD GLU A 69 0.089 9.866 11.785 1.00 0.00 C ATOM 1113 OE1 GLU A 69 0.813 9.055 12.338 1.00 0.00 O ATOM 1114 OE2 GLU A 69 -1.097 10.003 12.035 1.00 0.00 O ATOM 0 H GLU A 69 2.856 11.355 9.369 1.00 0.00 H new ATOM 0 HA GLU A 69 0.941 13.400 10.047 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.561 11.337 11.658 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.155 12.176 12.282 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.081 11.262 10.143 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.274 10.160 10.001 1.00 0.00 H new ATOM 1121 N LYS A 70 3.965 13.873 11.195 1.00 0.00 N ATOM 1122 CA LYS A 70 4.822 14.916 11.831 1.00 0.00 C ATOM 1123 C LYS A 70 5.183 15.954 10.772 1.00 0.00 C ATOM 1124 O LYS A 70 5.105 17.147 10.993 1.00 0.00 O ATOM 1125 CB LYS A 70 6.075 14.175 12.311 1.00 0.00 C ATOM 1126 CG LYS A 70 5.683 13.047 13.278 1.00 0.00 C ATOM 1127 CD LYS A 70 5.988 13.468 14.717 1.00 0.00 C ATOM 1128 CE LYS A 70 5.016 14.571 15.145 1.00 0.00 C ATOM 1129 NZ LYS A 70 5.084 14.585 16.634 1.00 0.00 N ATOM 0 H LYS A 70 4.462 13.040 10.879 1.00 0.00 H new ATOM 0 HA LYS A 70 4.331 15.430 12.657 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.612 13.762 11.457 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.751 14.871 12.807 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.622 12.818 13.173 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.231 12.138 13.032 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.898 12.611 15.384 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.015 13.825 14.793 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.304 15.536 14.727 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.004 14.363 14.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.444 15.317 17.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.798 13.656 17.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.058 14.792 16.935 1.00 0.00 H new ATOM 1143 N ASP A 71 5.562 15.488 9.610 1.00 0.00 N ATOM 1144 CA ASP A 71 5.918 16.415 8.491 1.00 0.00 C ATOM 1145 C ASP A 71 4.765 17.391 8.234 1.00 0.00 C ATOM 1146 O ASP A 71 4.937 18.595 8.255 1.00 0.00 O ATOM 1147 CB ASP A 71 6.121 15.504 7.276 1.00 0.00 C ATOM 1148 CG ASP A 71 7.616 15.269 7.050 1.00 0.00 C ATOM 1149 OD1 ASP A 71 8.313 16.234 6.785 1.00 0.00 O ATOM 1150 OD2 ASP A 71 8.038 14.128 7.145 1.00 0.00 O ATOM 0 H ASP A 71 5.641 14.496 9.385 1.00 0.00 H new ATOM 0 HA ASP A 71 6.804 17.011 8.711 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.614 14.552 7.434 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.677 15.959 6.391 1.00 0.00 H new ATOM 1155 N ILE A 72 3.593 16.867 7.992 1.00 0.00 N ATOM 1156 CA ILE A 72 2.409 17.742 7.730 1.00 0.00 C ATOM 1157 C ILE A 72 2.138 18.642 8.947 1.00 0.00 C ATOM 1158 O ILE A 72 1.590 19.719 8.814 1.00 0.00 O ATOM 1159 CB ILE A 72 1.246 16.758 7.468 1.00 0.00 C ATOM 1160 CG1 ILE A 72 1.397 16.162 6.062 1.00 0.00 C ATOM 1161 CG2 ILE A 72 -0.119 17.458 7.578 1.00 0.00 C ATOM 1162 CD1 ILE A 72 1.335 17.268 4.999 1.00 0.00 C ATOM 0 H ILE A 72 3.402 15.865 7.964 1.00 0.00 H new ATOM 0 HA ILE A 72 2.554 18.416 6.886 1.00 0.00 H new ATOM 0 HB ILE A 72 1.287 15.972 8.222 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.345 15.630 5.986 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.607 15.433 5.883 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.914 16.737 7.388 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.236 17.872 8.580 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.176 18.262 6.844 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.444 16.827 4.008 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.376 17.782 5.064 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.141 17.982 5.169 1.00 0.00 H new ATOM 1174 N ALA A 73 2.514 18.209 10.124 1.00 0.00 N ATOM 1175 CA ALA A 73 2.271 19.043 11.342 1.00 0.00 C ATOM 1176 C ALA A 73 3.069 20.347 11.264 1.00 0.00 C ATOM 1177 O ALA A 73 2.535 21.422 11.460 1.00 0.00 O ATOM 1178 CB ALA A 73 2.748 18.191 12.520 1.00 0.00 C ATOM 0 H ALA A 73 2.978 17.317 10.295 1.00 0.00 H new ATOM 0 HA ALA A 73 1.221 19.320 11.442 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.600 18.740 13.450 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.178 17.263 12.552 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.807 17.962 12.398 1.00 0.00 H new ATOM 1184 N ALA A 74 4.345 20.259 10.983 1.00 0.00 N ATOM 1185 CA ALA A 74 5.184 21.493 10.894 1.00 0.00 C ATOM 1186 C ALA A 74 4.900 22.228 9.584 1.00 0.00 C ATOM 1187 O ALA A 74 4.995 23.438 9.509 1.00 0.00 O ATOM 1188 CB ALA A 74 6.632 21.000 10.931 1.00 0.00 C ATOM 0 H ALA A 74 4.842 19.385 10.811 1.00 0.00 H new ATOM 0 HA ALA A 74 4.975 22.192 11.704 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.308 21.853 10.870 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.810 20.462 11.862 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.811 20.333 10.087 1.00 0.00 H new ATOM 1194 N TYR A 75 4.543 21.501 8.558 1.00 0.00 N ATOM 1195 CA TYR A 75 4.238 22.150 7.248 1.00 0.00 C ATOM 1196 C TYR A 75 2.864 22.823 7.308 1.00 0.00 C ATOM 1197 O TYR A 75 2.595 23.765 6.587 1.00 0.00 O ATOM 1198 CB TYR A 75 4.241 21.017 6.223 1.00 0.00 C ATOM 1199 CG TYR A 75 4.771 21.533 4.907 1.00 0.00 C ATOM 1200 CD1 TYR A 75 6.145 21.493 4.641 1.00 0.00 C ATOM 1201 CD2 TYR A 75 3.889 22.058 3.955 1.00 0.00 C ATOM 1202 CE1 TYR A 75 6.637 21.976 3.423 1.00 0.00 C ATOM 1203 CE2 TYR A 75 4.380 22.541 2.736 1.00 0.00 C ATOM 1204 CZ TYR A 75 5.754 22.501 2.470 1.00 0.00 C ATOM 1205 OH TYR A 75 6.240 22.978 1.270 1.00 0.00 O ATOM 0 H TYR A 75 4.449 20.485 8.570 1.00 0.00 H new ATOM 0 HA TYR A 75 4.963 22.922 6.991 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.859 20.192 6.578 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.232 20.626 6.093 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.826 21.089 5.376 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.829 22.090 4.161 1.00 0.00 H new ATOM 0 HE1 TYR A 75 7.697 21.944 3.218 1.00 0.00 H new ATOM 0 HE2 TYR A 75 3.699 22.944 2.001 1.00 0.00 H new ATOM 0 HH TYR A 75 6.536 22.226 0.715 1.00 0.00 H new ATOM 1215 N ARG A 76 1.994 22.346 8.166 1.00 0.00 N ATOM 1216 CA ARG A 76 0.635 22.959 8.278 1.00 0.00 C ATOM 1217 C ARG A 76 0.752 24.393 8.811 1.00 0.00 C ATOM 1218 O ARG A 76 0.524 25.348 8.093 1.00 0.00 O ATOM 1219 CB ARG A 76 -0.132 22.066 9.261 1.00 0.00 C ATOM 1220 CG ARG A 76 -1.548 22.608 9.450 1.00 0.00 C ATOM 1221 CD ARG A 76 -2.465 21.483 9.936 1.00 0.00 C ATOM 1222 NE ARG A 76 -3.819 21.852 9.437 1.00 0.00 N ATOM 1223 CZ ARG A 76 -4.196 21.490 8.242 1.00 0.00 C ATOM 1224 NH1 ARG A 76 -4.557 20.257 8.016 1.00 0.00 N ATOM 1225 NH2 ARG A 76 -4.210 22.362 7.271 1.00 0.00 N ATOM 0 H ARG A 76 2.167 21.560 8.792 1.00 0.00 H new ATOM 0 HA ARG A 76 0.125 23.020 7.317 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.171 21.044 8.885 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.387 22.034 10.219 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.543 23.425 10.172 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.921 23.015 8.510 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.148 20.517 9.543 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.452 21.404 11.023 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.452 22.388 10.030 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.545 19.575 8.774 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -4.852 19.975 7.081 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.926 23.326 7.447 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.505 22.080 6.336 1.00 0.00 H new ATOM 1239 N ALA A 77 1.105 24.548 10.064 1.00 0.00 N ATOM 1240 CA ALA A 77 1.238 25.918 10.644 1.00 0.00 C ATOM 1241 C ALA A 77 2.636 26.106 11.241 1.00 0.00 C ATOM 1242 O ALA A 77 2.931 25.615 12.314 1.00 0.00 O ATOM 1243 CB ALA A 77 0.174 25.990 11.739 1.00 0.00 C ATOM 0 H ALA A 77 1.306 23.784 10.709 1.00 0.00 H new ATOM 0 HA ALA A 77 1.105 26.698 9.895 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.208 26.970 12.215 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.811 25.834 11.300 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.366 25.218 12.484 1.00 0.00 H new ATOM 1249 N LYS A 78 3.494 26.814 10.551 1.00 0.00 N ATOM 1250 CA LYS A 78 4.876 27.041 11.071 1.00 0.00 C ATOM 1251 C LYS A 78 5.090 28.527 11.375 1.00 0.00 C ATOM 1252 O LYS A 78 4.881 29.330 10.481 1.00 0.00 O ATOM 1253 CB LYS A 78 5.804 26.586 9.942 1.00 0.00 C ATOM 1254 CG LYS A 78 7.230 26.448 10.479 1.00 0.00 C ATOM 1255 CD LYS A 78 8.132 25.865 9.389 1.00 0.00 C ATOM 1256 CE LYS A 78 9.426 25.346 10.019 1.00 0.00 C ATOM 1257 NZ LYS A 78 10.316 25.034 8.868 1.00 0.00 N ATOM 1258 OXT LYS A 78 5.459 28.834 12.497 1.00 0.00 O ATOM 0 H LYS A 78 3.296 27.245 9.648 1.00 0.00 H new ATOM 0 HA LYS A 78 5.063 26.497 11.997 1.00 0.00 H new ATOM 0 HB2 LYS A 78 5.462 25.633 9.538 1.00 0.00 H new ATOM 0 HB3 LYS A 78 5.780 27.306 9.124 1.00 0.00 H new ATOM 0 HG2 LYS A 78 7.606 27.421 10.796 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.238 25.802 11.357 1.00 0.00 H new ATOM 0 HD2 LYS A 78 7.617 25.056 8.871 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.358 26.627 8.644 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.874 26.094 10.673 1.00 0.00 H new ATOM 0 HE3 LYS A 78 9.242 24.460 10.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.225 24.672 9.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.866 24.314 8.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.479 25.897 8.312 1.00 0.00 H new TER 1272 LYS A 78