USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 707 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0423 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.0336 K(o=-0.034,f=-1.2!) USER MOD Single : A 15 LYS NZ :NH3+ 164:sc=-0.00167 (180deg=-0.0694) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -145:sc= -0.0963 (180deg=-0.408) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0806 USER MOD Single : A 28 MET CE :methyl 155:sc= -0.859 (180deg=-2.95) USER MOD Single : A 32 SER OG : rot 180:sc= -0.379 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.248 K(o=-0.25,f=-2.8!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -92:sc= 0.0656 USER MOD Single : A 52 THR OG1 : rot 58:sc= 0.241 USER MOD Single : A 58 MET CE :methyl -142:sc= -0.877 (180deg=-2.43) USER MOD Single : A 60 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.0044) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 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 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc=-0.00652 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -120:sc= 0.544 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.772 K(o=-0.77,f=-3.2!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0.0943 USER MOD Single : A 88 SER OG : rot 36:sc= 0.338 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.057 31.724 -3.500 1.00 0.00 N ATOM 2 CA GLY A 1 -12.037 30.760 -3.994 1.00 0.00 C ATOM 3 C GLY A 1 -11.896 29.551 -3.089 1.00 0.00 C ATOM 4 O GLY A 1 -12.308 28.447 -3.447 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.116 32.532 -4.152 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.983 31.253 -3.448 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.786 32.062 -2.554 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.309 30.430 -4.997 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.074 31.264 -4.075 1.00 0.00 H new ATOM 10 N SER A 2 -11.310 29.759 -1.914 1.00 0.00 N ATOM 11 CA SER A 2 -11.116 28.679 -0.955 1.00 0.00 C ATOM 12 C SER A 2 -10.241 27.578 -1.545 1.00 0.00 C ATOM 13 O SER A 2 -10.672 26.835 -2.427 1.00 0.00 O ATOM 14 CB SER A 2 -12.465 28.099 -0.527 1.00 0.00 C ATOM 15 OG SER A 2 -13.468 29.100 -0.510 1.00 0.00 O ATOM 0 H SER A 2 -10.961 30.666 -1.604 1.00 0.00 H new ATOM 0 HA SER A 2 -10.612 29.090 -0.081 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.755 27.301 -1.211 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.375 27.653 0.464 1.00 0.00 H new ATOM 0 HG SER A 2 -14.321 28.704 -0.235 1.00 0.00 H new ATOM 21 N SER A 3 -9.010 27.478 -1.053 1.00 0.00 N ATOM 22 CA SER A 3 -8.076 26.467 -1.532 1.00 0.00 C ATOM 23 C SER A 3 -8.004 25.291 -0.565 1.00 0.00 C ATOM 24 O SER A 3 -7.683 25.460 0.612 1.00 0.00 O ATOM 25 CB SER A 3 -6.684 27.075 -1.717 1.00 0.00 C ATOM 26 OG SER A 3 -6.486 28.172 -0.842 1.00 0.00 O ATOM 0 H SER A 3 -8.637 28.085 -0.323 1.00 0.00 H new ATOM 0 HA SER A 3 -8.437 26.102 -2.494 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.924 26.316 -1.531 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.561 27.402 -2.749 1.00 0.00 H new ATOM 0 HG SER A 3 -5.589 28.542 -0.979 1.00 0.00 H new ATOM 32 N GLY A 4 -8.305 24.098 -1.068 1.00 0.00 N ATOM 33 CA GLY A 4 -8.269 22.911 -0.235 1.00 0.00 C ATOM 34 C GLY A 4 -8.083 21.641 -1.043 1.00 0.00 C ATOM 35 O GLY A 4 -7.296 20.771 -0.669 1.00 0.00 O ATOM 0 H GLY A 4 -8.573 23.933 -2.038 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.457 23.001 0.486 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.195 22.843 0.335 1.00 0.00 H new ATOM 39 N SER A 5 -8.808 21.536 -2.151 1.00 0.00 N ATOM 40 CA SER A 5 -8.721 20.363 -3.015 1.00 0.00 C ATOM 41 C SER A 5 -9.199 19.112 -2.284 1.00 0.00 C ATOM 42 O SER A 5 -8.890 18.911 -1.109 1.00 0.00 O ATOM 43 CB SER A 5 -7.284 20.166 -3.503 1.00 0.00 C ATOM 44 OG SER A 5 -7.257 19.746 -4.856 1.00 0.00 O ATOM 0 H SER A 5 -9.463 22.249 -2.473 1.00 0.00 H new ATOM 0 HA SER A 5 -9.369 20.529 -3.876 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.730 21.099 -3.398 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.783 19.426 -2.879 1.00 0.00 H new ATOM 0 HG SER A 5 -6.328 19.629 -5.144 1.00 0.00 H new ATOM 50 N SER A 6 -9.953 18.274 -2.987 1.00 0.00 N ATOM 51 CA SER A 6 -10.473 17.042 -2.404 1.00 0.00 C ATOM 52 C SER A 6 -10.238 15.858 -3.335 1.00 0.00 C ATOM 53 O SER A 6 -11.071 14.956 -3.432 1.00 0.00 O ATOM 54 CB SER A 6 -11.967 17.185 -2.109 1.00 0.00 C ATOM 55 OG SER A 6 -12.188 18.022 -0.988 1.00 0.00 O ATOM 0 H SER A 6 -10.218 18.425 -3.960 1.00 0.00 H new ATOM 0 HA SER A 6 -9.941 16.858 -1.471 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.475 17.598 -2.981 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.400 16.202 -1.924 1.00 0.00 H new ATOM 0 HG SER A 6 -13.151 18.098 -0.822 1.00 0.00 H new ATOM 61 N GLY A 7 -9.098 15.865 -4.019 1.00 0.00 N ATOM 62 CA GLY A 7 -8.774 14.787 -4.933 1.00 0.00 C ATOM 63 C GLY A 7 -7.332 14.336 -4.812 1.00 0.00 C ATOM 64 O GLY A 7 -6.512 15.016 -4.196 1.00 0.00 O ATOM 0 H GLY A 7 -8.393 16.599 -3.956 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.433 13.941 -4.740 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.965 15.113 -5.956 1.00 0.00 H new ATOM 68 N LYS A 8 -7.022 13.185 -5.402 1.00 0.00 N ATOM 69 CA LYS A 8 -5.670 12.645 -5.357 1.00 0.00 C ATOM 70 C LYS A 8 -5.329 11.922 -6.659 1.00 0.00 C ATOM 71 O LYS A 8 -5.477 10.705 -6.759 1.00 0.00 O ATOM 72 CB LYS A 8 -5.519 11.686 -4.174 1.00 0.00 C ATOM 73 CG LYS A 8 -5.192 12.384 -2.864 1.00 0.00 C ATOM 74 CD LYS A 8 -5.662 11.573 -1.666 1.00 0.00 C ATOM 75 CE LYS A 8 -4.542 11.353 -0.659 1.00 0.00 C ATOM 76 NZ LYS A 8 -4.191 9.912 -0.524 1.00 0.00 N ATOM 0 H LYS A 8 -7.689 12.610 -5.916 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.978 13.477 -5.231 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.444 11.121 -4.054 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.732 10.966 -4.399 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.116 12.545 -2.796 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.664 13.367 -2.847 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.491 12.088 -1.181 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.040 10.609 -2.005 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.660 11.914 -0.969 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -4.845 11.745 0.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.425 9.805 0.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.025 9.380 -0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.878 9.543 -1.445 1.00 0.00 H new ATOM 90 N PRO A 9 -4.865 12.667 -7.676 1.00 0.00 N ATOM 91 CA PRO A 9 -4.503 12.092 -8.975 1.00 0.00 C ATOM 92 C PRO A 9 -3.533 10.923 -8.840 1.00 0.00 C ATOM 93 O PRO A 9 -2.766 10.848 -7.881 1.00 0.00 O ATOM 94 CB PRO A 9 -3.837 13.257 -9.709 1.00 0.00 C ATOM 95 CG PRO A 9 -4.412 14.479 -9.082 1.00 0.00 C ATOM 96 CD PRO A 9 -4.657 14.127 -7.640 1.00 0.00 C ATOM 0 HA PRO A 9 -5.370 11.685 -9.495 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.753 13.227 -9.597 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.048 13.224 -10.778 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.726 15.321 -9.167 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -5.339 14.772 -9.575 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.809 14.397 -7.011 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -5.528 14.647 -7.242 1.00 0.00 H new ATOM 104 N SER A 10 -3.575 10.011 -9.807 1.00 0.00 N ATOM 105 CA SER A 10 -2.700 8.845 -9.796 1.00 0.00 C ATOM 106 C SER A 10 -1.874 8.773 -11.076 1.00 0.00 C ATOM 107 O SER A 10 -1.592 7.687 -11.585 1.00 0.00 O ATOM 108 CB SER A 10 -3.522 7.566 -9.632 1.00 0.00 C ATOM 109 OG SER A 10 -4.599 7.530 -10.552 1.00 0.00 O ATOM 0 H SER A 10 -4.206 10.058 -10.607 1.00 0.00 H new ATOM 0 HA SER A 10 -2.019 8.941 -8.951 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.882 6.697 -9.783 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.907 7.506 -8.614 1.00 0.00 H new ATOM 0 HG SER A 10 -5.108 6.702 -10.428 1.00 0.00 H new ATOM 115 N GLN A 11 -1.491 9.936 -11.593 1.00 0.00 N ATOM 116 CA GLN A 11 -0.698 10.004 -12.815 1.00 0.00 C ATOM 117 C GLN A 11 0.779 10.210 -12.494 1.00 0.00 C ATOM 118 O GLN A 11 1.129 10.989 -11.607 1.00 0.00 O ATOM 119 CB GLN A 11 -1.203 11.137 -13.713 1.00 0.00 C ATOM 120 CG GLN A 11 -1.432 10.713 -15.154 1.00 0.00 C ATOM 121 CD GLN A 11 -2.671 9.855 -15.319 1.00 0.00 C ATOM 122 OE1 GLN A 11 -3.602 9.928 -14.518 1.00 0.00 O ATOM 123 NE2 GLN A 11 -2.688 9.035 -16.363 1.00 0.00 N ATOM 0 H GLN A 11 -1.717 10.843 -11.185 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.806 9.057 -13.343 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.136 11.525 -13.304 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.482 11.954 -13.693 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.523 11.601 -15.780 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.562 10.161 -15.509 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.894 9.007 -17.002 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -3.495 8.433 -16.526 1.00 0.00 H new ATOM 132 N GLU A 12 1.641 9.506 -13.220 1.00 0.00 N ATOM 133 CA GLU A 12 3.080 9.611 -13.011 1.00 0.00 C ATOM 134 C GLU A 12 3.665 10.764 -13.823 1.00 0.00 C ATOM 135 O GLU A 12 4.146 10.570 -14.938 1.00 0.00 O ATOM 136 CB GLU A 12 3.769 8.297 -13.393 1.00 0.00 C ATOM 137 CG GLU A 12 4.438 7.599 -12.220 1.00 0.00 C ATOM 138 CD GLU A 12 5.615 6.745 -12.646 1.00 0.00 C ATOM 139 OE1 GLU A 12 6.223 7.049 -13.693 1.00 0.00 O ATOM 140 OE2 GLU A 12 5.930 5.769 -11.931 1.00 0.00 O ATOM 0 H GLU A 12 1.368 8.857 -13.958 1.00 0.00 H new ATOM 0 HA GLU A 12 3.256 9.810 -11.954 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.033 7.625 -13.834 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.517 8.498 -14.160 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.777 8.346 -11.502 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.706 6.974 -11.708 1.00 0.00 H new ATOM 147 N GLY A 13 3.618 11.964 -13.253 1.00 0.00 N ATOM 148 CA GLY A 13 4.146 13.130 -13.937 1.00 0.00 C ATOM 149 C GLY A 13 5.580 13.430 -13.548 1.00 0.00 C ATOM 150 O GLY A 13 5.942 14.586 -13.326 1.00 0.00 O ATOM 0 H GLY A 13 3.224 12.150 -12.331 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.090 12.972 -15.014 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.522 13.995 -13.709 1.00 0.00 H new ATOM 154 N GLY A 14 6.399 12.386 -13.464 1.00 0.00 N ATOM 155 CA GLY A 14 7.792 12.564 -13.099 1.00 0.00 C ATOM 156 C GLY A 14 8.491 11.247 -12.824 1.00 0.00 C ATOM 157 O GLY A 14 7.841 10.215 -12.655 1.00 0.00 O ATOM 0 H GLY A 14 6.123 11.420 -13.642 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.311 13.087 -13.902 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.855 13.197 -12.214 1.00 0.00 H new ATOM 161 N LYS A 15 9.819 11.282 -12.779 1.00 0.00 N ATOM 162 CA LYS A 15 10.608 10.083 -12.523 1.00 0.00 C ATOM 163 C LYS A 15 12.055 10.441 -12.199 1.00 0.00 C ATOM 164 O LYS A 15 12.978 9.697 -12.530 1.00 0.00 O ATOM 165 CB LYS A 15 10.560 9.147 -13.733 1.00 0.00 C ATOM 166 CG LYS A 15 10.917 9.829 -15.043 1.00 0.00 C ATOM 167 CD LYS A 15 10.546 8.968 -16.239 1.00 0.00 C ATOM 168 CE LYS A 15 11.605 9.041 -17.327 1.00 0.00 C ATOM 169 NZ LYS A 15 12.848 8.317 -16.941 1.00 0.00 N ATOM 0 H LYS A 15 10.371 12.128 -12.917 1.00 0.00 H new ATOM 0 HA LYS A 15 10.178 9.573 -11.661 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.246 8.316 -13.567 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.559 8.723 -13.815 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.400 10.786 -15.108 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.986 10.042 -15.064 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.422 7.933 -15.919 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.587 9.295 -16.641 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.208 8.616 -18.249 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.842 10.085 -17.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.432 8.154 -17.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.383 8.887 -16.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.598 7.403 -16.512 1.00 0.00 H new ATOM 183 N GLY A 16 12.244 11.586 -11.550 1.00 0.00 N ATOM 184 CA GLY A 16 13.580 12.023 -11.193 1.00 0.00 C ATOM 185 C GLY A 16 13.984 11.577 -9.802 1.00 0.00 C ATOM 186 O GLY A 16 15.068 11.025 -9.610 1.00 0.00 O ATOM 0 H GLY A 16 11.496 12.218 -11.265 1.00 0.00 H new ATOM 0 HA2 GLY A 16 14.293 11.631 -11.918 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.631 13.110 -11.252 1.00 0.00 H new ATOM 190 N GLY A 17 13.110 11.814 -8.829 1.00 0.00 N ATOM 191 CA GLY A 17 13.399 11.425 -7.461 1.00 0.00 C ATOM 192 C GLY A 17 12.390 11.979 -6.475 1.00 0.00 C ATOM 193 O GLY A 17 12.754 12.414 -5.382 1.00 0.00 O ATOM 0 H GLY A 17 12.207 12.268 -8.964 1.00 0.00 H new ATOM 0 HA2 GLY A 17 13.411 10.337 -7.391 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.396 11.773 -7.190 1.00 0.00 H new ATOM 197 N SER A 18 11.118 11.962 -6.860 1.00 0.00 N ATOM 198 CA SER A 18 10.053 12.465 -6.001 1.00 0.00 C ATOM 199 C SER A 18 9.891 11.587 -4.764 1.00 0.00 C ATOM 200 O SER A 18 10.605 10.599 -4.597 1.00 0.00 O ATOM 201 CB SER A 18 8.734 12.529 -6.772 1.00 0.00 C ATOM 202 OG SER A 18 8.549 13.802 -7.366 1.00 0.00 O ATOM 0 H SER A 18 10.800 11.605 -7.761 1.00 0.00 H new ATOM 0 HA SER A 18 10.325 13.470 -5.678 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.723 11.760 -7.544 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.905 12.315 -6.098 1.00 0.00 H new ATOM 0 HG SER A 18 7.699 13.815 -7.854 1.00 0.00 H new ATOM 208 N GLU A 19 8.948 11.953 -3.903 1.00 0.00 N ATOM 209 CA GLU A 19 8.694 11.196 -2.682 1.00 0.00 C ATOM 210 C GLU A 19 7.236 11.327 -2.253 1.00 0.00 C ATOM 211 O GLU A 19 6.750 12.430 -2.001 1.00 0.00 O ATOM 212 CB GLU A 19 9.613 11.677 -1.558 1.00 0.00 C ATOM 213 CG GLU A 19 9.865 10.626 -0.489 1.00 0.00 C ATOM 214 CD GLU A 19 11.136 9.837 -0.736 1.00 0.00 C ATOM 215 OE1 GLU A 19 11.096 8.883 -1.542 1.00 0.00 O ATOM 216 OE2 GLU A 19 12.171 10.171 -0.122 1.00 0.00 O ATOM 0 H GLU A 19 8.347 12.768 -4.027 1.00 0.00 H new ATOM 0 HA GLU A 19 8.901 10.146 -2.887 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.567 11.984 -1.986 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.173 12.559 -1.092 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.926 11.111 0.485 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.018 9.941 -0.451 1.00 0.00 H new ATOM 223 N LYS A 20 6.545 10.195 -2.173 1.00 0.00 N ATOM 224 CA LYS A 20 5.142 10.182 -1.773 1.00 0.00 C ATOM 225 C LYS A 20 4.969 10.781 -0.378 1.00 0.00 C ATOM 226 O LYS A 20 5.942 10.961 0.352 1.00 0.00 O ATOM 227 CB LYS A 20 4.596 8.752 -1.804 1.00 0.00 C ATOM 228 CG LYS A 20 3.672 8.480 -2.978 1.00 0.00 C ATOM 229 CD LYS A 20 4.418 7.840 -4.138 1.00 0.00 C ATOM 230 CE LYS A 20 3.493 7.566 -5.313 1.00 0.00 C ATOM 231 NZ LYS A 20 2.294 6.783 -4.905 1.00 0.00 N ATOM 0 H LYS A 20 6.933 9.275 -2.380 1.00 0.00 H new ATOM 0 HA LYS A 20 4.580 10.792 -2.480 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.432 8.053 -1.841 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.058 8.557 -0.876 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.861 7.825 -2.660 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.217 9.414 -3.308 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.228 8.496 -4.457 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.874 6.907 -3.808 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.176 8.511 -5.754 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.037 7.021 -6.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 2.024 6.136 -5.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.513 6.233 -4.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.506 7.432 -4.707 1.00 0.00 H new ATOM 245 N PRO A 21 3.721 11.097 0.010 1.00 0.00 N ATOM 246 CA PRO A 21 3.428 11.677 1.326 1.00 0.00 C ATOM 247 C PRO A 21 3.802 10.737 2.466 1.00 0.00 C ATOM 248 O PRO A 21 4.108 9.565 2.243 1.00 0.00 O ATOM 249 CB PRO A 21 1.912 11.906 1.295 1.00 0.00 C ATOM 250 CG PRO A 21 1.404 11.002 0.224 1.00 0.00 C ATOM 251 CD PRO A 21 2.502 10.915 -0.796 1.00 0.00 C ATOM 0 HA PRO A 21 4.001 12.587 1.504 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.458 11.671 2.258 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.675 12.947 1.077 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.165 10.017 0.625 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.490 11.397 -0.219 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.499 9.954 -1.311 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.405 11.686 -1.560 1.00 0.00 H new ATOM 259 N LYS A 22 3.778 11.259 3.688 1.00 0.00 N ATOM 260 CA LYS A 22 4.118 10.467 4.866 1.00 0.00 C ATOM 261 C LYS A 22 3.206 9.250 4.987 1.00 0.00 C ATOM 262 O LYS A 22 1.988 9.382 5.107 1.00 0.00 O ATOM 263 CB LYS A 22 4.017 11.325 6.129 1.00 0.00 C ATOM 264 CG LYS A 22 5.361 11.826 6.633 1.00 0.00 C ATOM 265 CD LYS A 22 5.353 13.332 6.849 1.00 0.00 C ATOM 266 CE LYS A 22 6.019 14.063 5.694 1.00 0.00 C ATOM 267 NZ LYS A 22 5.534 15.466 5.571 1.00 0.00 N ATOM 0 H LYS A 22 3.527 12.227 3.889 1.00 0.00 H new ATOM 0 HA LYS A 22 5.144 10.117 4.754 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.372 12.180 5.927 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.537 10.743 6.916 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.609 11.325 7.569 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.139 11.565 5.916 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.326 13.680 6.957 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.870 13.570 7.779 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.099 14.064 5.840 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.823 13.528 4.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.012 15.930 4.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.507 15.465 5.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.744 15.984 6.448 1.00 0.00 H new ATOM 281 N ARG A 23 3.805 8.063 4.956 1.00 0.00 N ATOM 282 CA ARG A 23 3.048 6.822 5.065 1.00 0.00 C ATOM 283 C ARG A 23 3.966 5.655 5.430 1.00 0.00 C ATOM 284 O ARG A 23 4.780 5.220 4.615 1.00 0.00 O ATOM 285 CB ARG A 23 2.330 6.523 3.747 1.00 0.00 C ATOM 286 CG ARG A 23 1.008 5.796 3.927 1.00 0.00 C ATOM 287 CD ARG A 23 0.765 4.792 2.810 1.00 0.00 C ATOM 288 NE ARG A 23 -0.143 5.316 1.791 1.00 0.00 N ATOM 289 CZ ARG A 23 0.243 6.088 0.776 1.00 0.00 C ATOM 290 NH1 ARG A 23 1.518 6.431 0.639 1.00 0.00 N ATOM 291 NH2 ARG A 23 -0.650 6.518 -0.103 1.00 0.00 N ATOM 0 H ARG A 23 4.812 7.935 4.856 1.00 0.00 H new ATOM 0 HA ARG A 23 2.309 6.944 5.857 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.151 7.460 3.219 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.983 5.921 3.115 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.003 5.281 4.888 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.194 6.520 3.950 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.716 4.527 2.347 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.349 3.876 3.230 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.132 5.076 1.861 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.210 6.103 1.313 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.806 7.022 -0.141 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.631 6.258 -0.002 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.356 7.109 -0.881 1.00 0.00 H new ATOM 305 N PRO A 24 3.850 5.130 6.663 1.00 0.00 N ATOM 306 CA PRO A 24 4.676 4.011 7.123 1.00 0.00 C ATOM 307 C PRO A 24 4.182 2.669 6.596 1.00 0.00 C ATOM 308 O PRO A 24 2.996 2.351 6.693 1.00 0.00 O ATOM 309 CB PRO A 24 4.528 4.078 8.641 1.00 0.00 C ATOM 310 CG PRO A 24 3.166 4.642 8.857 1.00 0.00 C ATOM 311 CD PRO A 24 2.909 5.583 7.708 1.00 0.00 C ATOM 0 HA PRO A 24 5.706 4.087 6.773 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.626 3.091 9.094 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.295 4.711 9.087 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.418 3.850 8.885 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.110 5.168 9.810 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.875 5.525 7.367 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.094 6.619 7.991 1.00 0.00 H new ATOM 319 N VAL A 25 5.097 1.883 6.039 1.00 0.00 N ATOM 320 CA VAL A 25 4.753 0.574 5.497 1.00 0.00 C ATOM 321 C VAL A 25 5.924 -0.395 5.617 1.00 0.00 C ATOM 322 O VAL A 25 6.677 -0.597 4.665 1.00 0.00 O ATOM 323 CB VAL A 25 4.330 0.671 4.020 1.00 0.00 C ATOM 324 CG1 VAL A 25 3.808 -0.670 3.523 1.00 0.00 C ATOM 325 CG2 VAL A 25 3.287 1.761 3.834 1.00 0.00 C ATOM 0 H VAL A 25 6.083 2.130 5.951 1.00 0.00 H new ATOM 0 HA VAL A 25 3.914 0.200 6.083 1.00 0.00 H new ATOM 0 HB VAL A 25 5.206 0.934 3.427 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.514 -0.581 2.477 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.591 -1.423 3.617 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.945 -0.968 4.118 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.000 1.815 2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.409 1.532 4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.702 2.719 4.146 1.00 0.00 H new ATOM 335 N SER A 26 6.072 -0.993 6.796 1.00 0.00 N ATOM 336 CA SER A 26 7.151 -1.942 7.041 1.00 0.00 C ATOM 337 C SER A 26 6.889 -3.260 6.320 1.00 0.00 C ATOM 338 O SER A 26 5.853 -3.432 5.677 1.00 0.00 O ATOM 339 CB SER A 26 7.310 -2.191 8.542 1.00 0.00 C ATOM 340 OG SER A 26 6.088 -1.974 9.227 1.00 0.00 O ATOM 0 H SER A 26 5.458 -0.837 7.595 1.00 0.00 H new ATOM 0 HA SER A 26 8.074 -1.512 6.652 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.648 -3.213 8.710 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.078 -1.531 8.944 1.00 0.00 H new ATOM 0 HG SER A 26 6.215 -2.141 10.184 1.00 0.00 H new ATOM 346 N ALA A 27 7.834 -4.189 6.431 1.00 0.00 N ATOM 347 CA ALA A 27 7.704 -5.492 5.790 1.00 0.00 C ATOM 348 C ALA A 27 6.454 -6.218 6.272 1.00 0.00 C ATOM 349 O ALA A 27 5.771 -6.884 5.493 1.00 0.00 O ATOM 350 CB ALA A 27 8.945 -6.333 6.053 1.00 0.00 C ATOM 0 H ALA A 27 8.698 -4.063 6.959 1.00 0.00 H new ATOM 0 HA ALA A 27 7.607 -5.336 4.716 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.836 -7.304 5.569 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.821 -5.824 5.652 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.068 -6.475 7.127 1.00 0.00 H new ATOM 356 N MET A 28 6.161 -6.088 7.562 1.00 0.00 N ATOM 357 CA MET A 28 4.991 -6.733 8.149 1.00 0.00 C ATOM 358 C MET A 28 3.704 -6.120 7.607 1.00 0.00 C ATOM 359 O MET A 28 2.682 -6.797 7.496 1.00 0.00 O ATOM 360 CB MET A 28 5.027 -6.611 9.672 1.00 0.00 C ATOM 361 CG MET A 28 3.878 -7.326 10.367 1.00 0.00 C ATOM 362 SD MET A 28 4.422 -8.326 11.765 1.00 0.00 S ATOM 363 CE MET A 28 3.362 -9.759 11.590 1.00 0.00 C ATOM 0 H MET A 28 6.717 -5.542 8.221 1.00 0.00 H new ATOM 0 HA MET A 28 5.012 -7.788 7.876 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.971 -7.015 10.038 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.005 -5.556 9.944 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.154 -6.589 10.713 1.00 0.00 H new ATOM 0 HG3 MET A 28 3.365 -7.964 9.648 1.00 0.00 H new ATOM 0 HE1 MET A 28 3.838 -10.622 12.055 1.00 0.00 H new ATOM 0 HE2 MET A 28 2.406 -9.566 12.076 1.00 0.00 H new ATOM 0 HE3 MET A 28 3.197 -9.962 10.532 1.00 0.00 H new ATOM 373 N PHE A 29 3.760 -4.835 7.272 1.00 0.00 N ATOM 374 CA PHE A 29 2.599 -4.131 6.742 1.00 0.00 C ATOM 375 C PHE A 29 2.284 -4.592 5.322 1.00 0.00 C ATOM 376 O PHE A 29 1.120 -4.673 4.929 1.00 0.00 O ATOM 377 CB PHE A 29 2.840 -2.622 6.758 1.00 0.00 C ATOM 378 CG PHE A 29 1.624 -1.816 6.395 1.00 0.00 C ATOM 379 CD1 PHE A 29 1.210 -1.717 5.076 1.00 0.00 C ATOM 380 CD2 PHE A 29 0.896 -1.157 7.374 1.00 0.00 C ATOM 381 CE1 PHE A 29 0.093 -0.976 4.740 1.00 0.00 C ATOM 382 CE2 PHE A 29 -0.221 -0.415 7.043 1.00 0.00 C ATOM 383 CZ PHE A 29 -0.624 -0.324 5.724 1.00 0.00 C ATOM 0 H PHE A 29 4.598 -4.260 7.358 1.00 0.00 H new ATOM 0 HA PHE A 29 1.744 -4.362 7.378 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.178 -2.327 7.751 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.645 -2.383 6.063 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.767 -2.225 4.302 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.206 -1.225 8.406 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.219 -0.907 3.708 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.779 0.094 7.815 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.497 0.255 5.464 1.00 0.00 H new ATOM 393 N ILE A 30 3.329 -4.894 4.558 1.00 0.00 N ATOM 394 CA ILE A 30 3.163 -5.347 3.183 1.00 0.00 C ATOM 395 C ILE A 30 2.535 -6.736 3.138 1.00 0.00 C ATOM 396 O ILE A 30 1.610 -6.986 2.365 1.00 0.00 O ATOM 397 CB ILE A 30 4.510 -5.377 2.433 1.00 0.00 C ATOM 398 CG1 ILE A 30 5.220 -4.028 2.562 1.00 0.00 C ATOM 399 CG2 ILE A 30 4.295 -5.730 0.968 1.00 0.00 C ATOM 400 CD1 ILE A 30 6.698 -4.091 2.241 1.00 0.00 C ATOM 0 H ILE A 30 4.299 -4.833 4.868 1.00 0.00 H new ATOM 0 HA ILE A 30 2.501 -4.635 2.691 1.00 0.00 H new ATOM 0 HB ILE A 30 5.141 -6.144 2.882 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.742 -3.310 1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.092 -3.655 3.578 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.256 -5.747 0.453 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.827 -6.712 0.895 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.648 -4.985 0.505 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.137 -3.100 2.353 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.189 -4.785 2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.833 -4.434 1.215 1.00 0.00 H new ATOM 412 N PHE A 31 3.043 -7.637 3.972 1.00 0.00 N ATOM 413 CA PHE A 31 2.530 -9.001 4.028 1.00 0.00 C ATOM 414 C PHE A 31 1.151 -9.036 4.677 1.00 0.00 C ATOM 415 O PHE A 31 0.321 -9.883 4.348 1.00 0.00 O ATOM 416 CB PHE A 31 3.495 -9.900 4.804 1.00 0.00 C ATOM 417 CG PHE A 31 3.055 -11.335 4.872 1.00 0.00 C ATOM 418 CD1 PHE A 31 3.233 -12.179 3.788 1.00 0.00 C ATOM 419 CD2 PHE A 31 2.466 -11.838 6.020 1.00 0.00 C ATOM 420 CE1 PHE A 31 2.830 -13.500 3.848 1.00 0.00 C ATOM 421 CE2 PHE A 31 2.060 -13.158 6.086 1.00 0.00 C ATOM 422 CZ PHE A 31 2.242 -13.990 4.998 1.00 0.00 C ATOM 0 H PHE A 31 3.809 -7.447 4.618 1.00 0.00 H new ATOM 0 HA PHE A 31 2.441 -9.372 3.007 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.479 -9.852 4.337 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.604 -9.513 5.817 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.692 -11.801 2.886 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.322 -11.192 6.873 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.975 -14.148 2.997 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.601 -13.538 6.987 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.925 -15.021 5.047 1.00 0.00 H new ATOM 432 N SER A 32 0.912 -8.110 5.599 1.00 0.00 N ATOM 433 CA SER A 32 -0.368 -8.035 6.295 1.00 0.00 C ATOM 434 C SER A 32 -1.404 -7.273 5.470 1.00 0.00 C ATOM 435 O SER A 32 -2.601 -7.346 5.746 1.00 0.00 O ATOM 436 CB SER A 32 -0.192 -7.360 7.657 1.00 0.00 C ATOM 437 OG SER A 32 -1.368 -7.473 8.439 1.00 0.00 O ATOM 0 H SER A 32 1.588 -7.400 5.882 1.00 0.00 H new ATOM 0 HA SER A 32 -0.728 -9.053 6.441 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.645 -7.815 8.186 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.054 -6.308 7.516 1.00 0.00 H new ATOM 0 HG SER A 32 -1.229 -7.035 9.305 1.00 0.00 H new ATOM 443 N GLU A 33 -0.940 -6.540 4.461 1.00 0.00 N ATOM 444 CA GLU A 33 -1.834 -5.768 3.605 1.00 0.00 C ATOM 445 C GLU A 33 -2.019 -6.447 2.252 1.00 0.00 C ATOM 446 O GLU A 33 -3.081 -6.352 1.639 1.00 0.00 O ATOM 447 CB GLU A 33 -1.287 -4.353 3.409 1.00 0.00 C ATOM 448 CG GLU A 33 -2.307 -3.380 2.842 1.00 0.00 C ATOM 449 CD GLU A 33 -1.684 -2.351 1.920 1.00 0.00 C ATOM 450 OE1 GLU A 33 -1.018 -2.756 0.943 1.00 0.00 O ATOM 451 OE2 GLU A 33 -1.860 -1.141 2.174 1.00 0.00 O ATOM 0 H GLU A 33 0.048 -6.465 4.217 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.806 -5.711 4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.930 -3.975 4.367 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.426 -4.394 2.741 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.070 -3.936 2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.811 -2.869 3.662 1.00 0.00 H new ATOM 458 N GLU A 34 -0.977 -7.131 1.789 1.00 0.00 N ATOM 459 CA GLU A 34 -1.027 -7.823 0.506 1.00 0.00 C ATOM 460 C GLU A 34 -1.753 -9.158 0.635 1.00 0.00 C ATOM 461 O GLU A 34 -2.480 -9.570 -0.270 1.00 0.00 O ATOM 462 CB GLU A 34 0.388 -8.050 -0.030 1.00 0.00 C ATOM 463 CG GLU A 34 0.443 -8.242 -1.537 1.00 0.00 C ATOM 464 CD GLU A 34 0.760 -6.957 -2.277 1.00 0.00 C ATOM 465 OE1 GLU A 34 1.394 -6.066 -1.675 1.00 0.00 O ATOM 466 OE2 GLU A 34 0.374 -6.842 -3.459 1.00 0.00 O ATOM 0 H GLU A 34 -0.089 -7.221 2.283 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.578 -7.196 -0.195 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.012 -7.199 0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.815 -8.927 0.456 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.198 -8.991 -1.777 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.514 -8.631 -1.885 1.00 0.00 H new ATOM 473 N LYS A 35 -1.551 -9.832 1.763 1.00 0.00 N ATOM 474 CA LYS A 35 -2.186 -11.121 2.007 1.00 0.00 C ATOM 475 C LYS A 35 -3.636 -10.944 2.447 1.00 0.00 C ATOM 476 O LYS A 35 -4.467 -11.830 2.249 1.00 0.00 O ATOM 477 CB LYS A 35 -1.410 -11.901 3.070 1.00 0.00 C ATOM 478 CG LYS A 35 0.006 -12.259 2.647 1.00 0.00 C ATOM 479 CD LYS A 35 0.041 -13.554 1.852 1.00 0.00 C ATOM 480 CE LYS A 35 0.971 -13.448 0.654 1.00 0.00 C ATOM 481 NZ LYS A 35 0.738 -14.542 -0.329 1.00 0.00 N ATOM 0 H LYS A 35 -0.952 -9.506 2.522 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.177 -11.683 1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.369 -11.310 3.985 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.953 -12.816 3.306 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.422 -11.451 2.046 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.637 -12.356 3.531 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.369 -14.369 2.497 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.965 -13.801 1.512 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.826 -12.484 0.166 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.006 -13.480 0.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.392 -14.434 -1.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.901 -15.461 0.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.242 -14.496 -0.673 1.00 0.00 H new ATOM 495 N ARG A 36 -3.937 -9.794 3.045 1.00 0.00 N ATOM 496 CA ARG A 36 -5.288 -9.503 3.512 1.00 0.00 C ATOM 497 C ARG A 36 -6.296 -9.609 2.371 1.00 0.00 C ATOM 498 O ARG A 36 -7.291 -10.326 2.473 1.00 0.00 O ATOM 499 CB ARG A 36 -5.347 -8.105 4.129 1.00 0.00 C ATOM 500 CG ARG A 36 -6.620 -7.841 4.918 1.00 0.00 C ATOM 501 CD ARG A 36 -6.639 -6.432 5.488 1.00 0.00 C ATOM 502 NE ARG A 36 -6.782 -5.421 4.444 1.00 0.00 N ATOM 503 CZ ARG A 36 -6.470 -4.137 4.606 1.00 0.00 C ATOM 504 NH1 ARG A 36 -6.000 -3.703 5.770 1.00 0.00 N ATOM 505 NH2 ARG A 36 -6.630 -3.284 3.604 1.00 0.00 N ATOM 0 H ARG A 36 -3.262 -9.049 3.217 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.548 -10.241 4.271 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.488 -7.970 4.786 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.261 -7.363 3.335 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.486 -7.985 4.272 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.703 -8.564 5.729 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.461 -6.339 6.198 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.718 -6.253 6.042 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.142 -5.716 3.537 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.877 -4.355 6.545 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.762 -2.718 5.889 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.992 -3.611 2.708 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.391 -2.300 3.729 1.00 0.00 H new ATOM 519 N ARG A 37 -6.031 -8.889 1.285 1.00 0.00 N ATOM 520 CA ARG A 37 -6.916 -8.902 0.125 1.00 0.00 C ATOM 521 C ARG A 37 -7.049 -10.311 -0.443 1.00 0.00 C ATOM 522 O ARG A 37 -8.089 -10.674 -0.991 1.00 0.00 O ATOM 523 CB ARG A 37 -6.392 -7.951 -0.952 1.00 0.00 C ATOM 524 CG ARG A 37 -7.434 -7.582 -1.997 1.00 0.00 C ATOM 525 CD ARG A 37 -7.435 -6.090 -2.283 1.00 0.00 C ATOM 526 NE ARG A 37 -7.686 -5.301 -1.079 1.00 0.00 N ATOM 527 CZ ARG A 37 -8.085 -4.031 -1.095 1.00 0.00 C ATOM 528 NH1 ARG A 37 -8.280 -3.403 -2.249 1.00 0.00 N ATOM 529 NH2 ARG A 37 -8.291 -3.387 0.046 1.00 0.00 N ATOM 0 H ARG A 37 -5.212 -8.290 1.184 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.902 -8.567 0.447 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.029 -7.040 -0.476 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.539 -8.413 -1.449 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.236 -8.130 -2.918 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -8.421 -7.887 -1.651 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.475 -5.802 -2.711 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.197 -5.865 -3.029 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.547 -5.749 -0.173 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -8.124 -3.894 -3.129 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.586 -2.430 -2.255 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.144 -3.865 0.935 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.597 -2.414 0.034 1.00 0.00 H new ATOM 543 N GLN A 38 -5.987 -11.101 -0.308 1.00 0.00 N ATOM 544 CA GLN A 38 -5.987 -12.471 -0.808 1.00 0.00 C ATOM 545 C GLN A 38 -6.782 -13.387 0.116 1.00 0.00 C ATOM 546 O GLN A 38 -7.508 -14.269 -0.342 1.00 0.00 O ATOM 547 CB GLN A 38 -4.552 -12.985 -0.945 1.00 0.00 C ATOM 548 CG GLN A 38 -3.795 -12.371 -2.112 1.00 0.00 C ATOM 549 CD GLN A 38 -3.143 -13.414 -2.999 1.00 0.00 C ATOM 550 OE1 GLN A 38 -3.824 -14.216 -3.638 1.00 0.00 O ATOM 551 NE2 GLN A 38 -1.817 -13.407 -3.044 1.00 0.00 N ATOM 0 H GLN A 38 -5.118 -10.816 0.143 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.462 -12.474 -1.789 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.011 -12.777 -0.022 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.573 -14.068 -1.066 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.481 -11.770 -2.709 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.030 -11.696 -1.729 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.292 -12.724 -2.498 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.323 -14.084 -3.625 1.00 0.00 H new ATOM 560 N LEU A 39 -6.641 -13.171 1.420 1.00 0.00 N ATOM 561 CA LEU A 39 -7.347 -13.978 2.409 1.00 0.00 C ATOM 562 C LEU A 39 -8.829 -13.617 2.447 1.00 0.00 C ATOM 563 O LEU A 39 -9.677 -14.464 2.724 1.00 0.00 O ATOM 564 CB LEU A 39 -6.728 -13.782 3.795 1.00 0.00 C ATOM 565 CG LEU A 39 -5.401 -14.508 4.022 1.00 0.00 C ATOM 566 CD1 LEU A 39 -4.765 -14.059 5.328 1.00 0.00 C ATOM 567 CD2 LEU A 39 -5.612 -16.014 4.019 1.00 0.00 C ATOM 0 H LEU A 39 -6.045 -12.444 1.816 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.252 -15.025 2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.574 -12.716 3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.442 -14.120 4.546 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.724 -14.254 3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.822 -14.586 5.473 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.579 -12.986 5.292 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.437 -14.283 6.156 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.658 -16.515 4.182 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.305 -16.286 4.815 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.024 -16.322 3.058 1.00 0.00 H new ATOM 579 N GLN A 40 -9.131 -12.354 2.168 1.00 0.00 N ATOM 580 CA GLN A 40 -10.510 -11.878 2.171 1.00 0.00 C ATOM 581 C GLN A 40 -11.343 -12.616 1.127 1.00 0.00 C ATOM 582 O GLN A 40 -12.462 -13.048 1.404 1.00 0.00 O ATOM 583 CB GLN A 40 -10.550 -10.371 1.907 1.00 0.00 C ATOM 584 CG GLN A 40 -11.216 -9.578 3.021 1.00 0.00 C ATOM 585 CD GLN A 40 -10.604 -8.202 3.202 1.00 0.00 C ATOM 586 OE1 GLN A 40 -9.665 -7.829 2.499 1.00 0.00 O ATOM 587 NE2 GLN A 40 -11.136 -7.439 4.150 1.00 0.00 N ATOM 0 H GLN A 40 -8.439 -11.641 1.937 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.937 -12.078 3.154 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.532 -10.007 1.771 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.082 -10.188 0.973 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.279 -9.473 2.802 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.136 -10.133 3.956 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.914 -7.789 4.709 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -10.767 -6.503 4.319 1.00 0.00 H new ATOM 596 N GLU A 41 -10.791 -12.755 -0.074 1.00 0.00 N ATOM 597 CA GLU A 41 -11.486 -13.439 -1.159 1.00 0.00 C ATOM 598 C GLU A 41 -11.708 -14.910 -0.821 1.00 0.00 C ATOM 599 O GLU A 41 -12.817 -15.427 -0.959 1.00 0.00 O ATOM 600 CB GLU A 41 -10.690 -13.316 -2.459 1.00 0.00 C ATOM 601 CG GLU A 41 -10.354 -11.882 -2.834 1.00 0.00 C ATOM 602 CD GLU A 41 -11.520 -11.159 -3.480 1.00 0.00 C ATOM 603 OE1 GLU A 41 -12.625 -11.177 -2.898 1.00 0.00 O ATOM 604 OE2 GLU A 41 -11.328 -10.577 -4.568 1.00 0.00 O ATOM 0 H GLU A 41 -9.866 -12.404 -0.320 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.459 -12.965 -1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.765 -13.884 -2.364 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.261 -13.770 -3.269 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.045 -11.340 -1.940 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.505 -11.879 -3.518 1.00 0.00 H new ATOM 611 N GLU A 42 -10.648 -15.577 -0.376 1.00 0.00 N ATOM 612 CA GLU A 42 -10.731 -16.988 -0.018 1.00 0.00 C ATOM 613 C GLU A 42 -11.591 -17.181 1.227 1.00 0.00 C ATOM 614 O GLU A 42 -12.254 -18.207 1.383 1.00 0.00 O ATOM 615 CB GLU A 42 -9.331 -17.558 0.223 1.00 0.00 C ATOM 616 CG GLU A 42 -8.375 -17.331 -0.938 1.00 0.00 C ATOM 617 CD GLU A 42 -7.478 -18.527 -1.194 1.00 0.00 C ATOM 618 OE1 GLU A 42 -7.992 -19.665 -1.195 1.00 0.00 O ATOM 619 OE2 GLU A 42 -6.263 -18.323 -1.397 1.00 0.00 O ATOM 0 H GLU A 42 -9.723 -15.164 -0.255 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.195 -17.522 -0.847 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.913 -17.105 1.122 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.411 -18.628 0.413 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.948 -17.111 -1.839 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.759 -16.456 -0.731 1.00 0.00 H new ATOM 626 N ARG A 43 -11.577 -16.188 2.110 1.00 0.00 N ATOM 627 CA ARG A 43 -12.356 -16.245 3.341 1.00 0.00 C ATOM 628 C ARG A 43 -13.239 -15.009 3.483 1.00 0.00 C ATOM 629 O ARG A 43 -12.887 -14.062 4.184 1.00 0.00 O ATOM 630 CB ARG A 43 -11.429 -16.365 4.551 1.00 0.00 C ATOM 631 CG ARG A 43 -10.438 -17.514 4.448 1.00 0.00 C ATOM 632 CD ARG A 43 -11.079 -18.838 4.831 1.00 0.00 C ATOM 633 NE ARG A 43 -10.092 -19.908 4.954 1.00 0.00 N ATOM 634 CZ ARG A 43 -10.397 -21.204 4.927 1.00 0.00 C ATOM 635 NH1 ARG A 43 -11.658 -21.593 4.784 1.00 0.00 N ATOM 636 NH2 ARG A 43 -9.438 -22.112 5.044 1.00 0.00 N ATOM 0 H ARG A 43 -11.033 -15.333 1.995 1.00 0.00 H new ATOM 0 HA ARG A 43 -12.997 -17.125 3.295 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.879 -15.432 4.671 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -12.033 -16.496 5.449 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.055 -17.575 3.429 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.585 -17.320 5.098 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -11.610 -18.724 5.776 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.820 -19.113 4.080 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.112 -19.647 5.067 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -12.399 -20.898 4.694 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.886 -22.587 4.764 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.468 -21.818 5.155 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.671 -23.105 5.023 1.00 0.00 H new ATOM 650 N PRO A 44 -14.407 -15.002 2.816 1.00 0.00 N ATOM 651 CA PRO A 44 -15.342 -13.873 2.872 1.00 0.00 C ATOM 652 C PRO A 44 -15.891 -13.648 4.277 1.00 0.00 C ATOM 653 O PRO A 44 -16.288 -12.538 4.629 1.00 0.00 O ATOM 654 CB PRO A 44 -16.468 -14.284 1.917 1.00 0.00 C ATOM 655 CG PRO A 44 -16.367 -15.767 1.816 1.00 0.00 C ATOM 656 CD PRO A 44 -14.906 -16.090 1.958 1.00 0.00 C ATOM 0 HA PRO A 44 -14.860 -12.935 2.598 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -17.442 -13.980 2.301 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.349 -13.813 0.941 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -16.952 -16.253 2.597 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.754 -16.121 0.861 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.752 -17.067 2.415 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.401 -16.106 0.992 1.00 0.00 H new ATOM 664 N GLU A 45 -15.913 -14.710 5.077 1.00 0.00 N ATOM 665 CA GLU A 45 -16.412 -14.627 6.444 1.00 0.00 C ATOM 666 C GLU A 45 -15.395 -13.946 7.354 1.00 0.00 C ATOM 667 O GLU A 45 -15.761 -13.270 8.316 1.00 0.00 O ATOM 668 CB GLU A 45 -16.736 -16.024 6.977 1.00 0.00 C ATOM 669 CG GLU A 45 -17.384 -16.016 8.352 1.00 0.00 C ATOM 670 CD GLU A 45 -18.421 -17.110 8.514 1.00 0.00 C ATOM 671 OE1 GLU A 45 -19.521 -16.975 7.936 1.00 0.00 O ATOM 672 OE2 GLU A 45 -18.134 -18.101 9.217 1.00 0.00 O ATOM 0 H GLU A 45 -15.591 -15.638 4.801 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.323 -14.029 6.436 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.401 -16.527 6.274 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.817 -16.609 7.021 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.613 -16.135 9.114 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.853 -15.047 8.523 1.00 0.00 H new ATOM 679 N LEU A 46 -14.116 -14.127 7.043 1.00 0.00 N ATOM 680 CA LEU A 46 -13.044 -13.531 7.832 1.00 0.00 C ATOM 681 C LEU A 46 -12.947 -12.031 7.571 1.00 0.00 C ATOM 682 O LEU A 46 -12.633 -11.604 6.460 1.00 0.00 O ATOM 683 CB LEU A 46 -11.709 -14.204 7.509 1.00 0.00 C ATOM 684 CG LEU A 46 -11.538 -15.613 8.080 1.00 0.00 C ATOM 685 CD1 LEU A 46 -10.309 -16.284 7.487 1.00 0.00 C ATOM 686 CD2 LEU A 46 -11.442 -15.564 9.598 1.00 0.00 C ATOM 0 H LEU A 46 -13.796 -14.682 6.249 1.00 0.00 H new ATOM 0 HA LEU A 46 -13.274 -13.685 8.886 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.596 -14.251 6.426 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.902 -13.575 7.886 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.414 -16.203 7.810 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.204 -17.285 7.905 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.418 -16.352 6.405 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.423 -15.696 7.726 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.321 -16.575 9.988 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.584 -14.958 9.889 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.352 -15.125 10.006 1.00 0.00 H new ATOM 698 N SER A 47 -13.216 -11.238 8.603 1.00 0.00 N ATOM 699 CA SER A 47 -13.158 -9.786 8.484 1.00 0.00 C ATOM 700 C SER A 47 -11.728 -9.284 8.652 1.00 0.00 C ATOM 701 O SER A 47 -10.817 -10.059 8.944 1.00 0.00 O ATOM 702 CB SER A 47 -14.066 -9.131 9.528 1.00 0.00 C ATOM 703 OG SER A 47 -15.421 -9.161 9.116 1.00 0.00 O ATOM 0 H SER A 47 -13.476 -11.576 9.530 1.00 0.00 H new ATOM 0 HA SER A 47 -13.506 -9.514 7.487 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.961 -9.648 10.482 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.754 -8.099 9.689 1.00 0.00 H new ATOM 0 HG SER A 47 -15.981 -8.738 9.801 1.00 0.00 H new ATOM 709 N GLU A 48 -11.537 -7.982 8.464 1.00 0.00 N ATOM 710 CA GLU A 48 -10.217 -7.377 8.595 1.00 0.00 C ATOM 711 C GLU A 48 -9.664 -7.577 10.002 1.00 0.00 C ATOM 712 O GLU A 48 -8.464 -7.784 10.185 1.00 0.00 O ATOM 713 CB GLU A 48 -10.281 -5.884 8.265 1.00 0.00 C ATOM 714 CG GLU A 48 -9.942 -5.566 6.817 1.00 0.00 C ATOM 715 CD GLU A 48 -9.026 -4.366 6.683 1.00 0.00 C ATOM 716 OE1 GLU A 48 -8.181 -4.161 7.580 1.00 0.00 O ATOM 717 OE2 GLU A 48 -9.152 -3.631 5.681 1.00 0.00 O ATOM 0 H GLU A 48 -12.279 -7.326 8.221 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.548 -7.869 7.889 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -11.283 -5.514 8.485 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.593 -5.346 8.917 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -9.467 -6.434 6.360 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.863 -5.379 6.265 1.00 0.00 H new ATOM 724 N SER A 49 -10.547 -7.514 10.994 1.00 0.00 N ATOM 725 CA SER A 49 -10.146 -7.689 12.385 1.00 0.00 C ATOM 726 C SER A 49 -9.607 -9.095 12.624 1.00 0.00 C ATOM 727 O SER A 49 -8.633 -9.281 13.353 1.00 0.00 O ATOM 728 CB SER A 49 -11.331 -7.421 13.315 1.00 0.00 C ATOM 729 OG SER A 49 -12.545 -7.873 12.740 1.00 0.00 O ATOM 0 H SER A 49 -11.544 -7.343 10.860 1.00 0.00 H new ATOM 0 HA SER A 49 -9.352 -6.974 12.601 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.169 -7.922 14.269 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.399 -6.353 13.523 1.00 0.00 H new ATOM 0 HG SER A 49 -12.964 -7.140 12.242 1.00 0.00 H new ATOM 735 N GLU A 50 -10.246 -10.082 12.003 1.00 0.00 N ATOM 736 CA GLU A 50 -9.829 -11.471 12.148 1.00 0.00 C ATOM 737 C GLU A 50 -8.585 -11.757 11.312 1.00 0.00 C ATOM 738 O GLU A 50 -7.745 -12.572 11.690 1.00 0.00 O ATOM 739 CB GLU A 50 -10.963 -12.411 11.733 1.00 0.00 C ATOM 740 CG GLU A 50 -12.175 -12.343 12.647 1.00 0.00 C ATOM 741 CD GLU A 50 -12.308 -13.568 13.531 1.00 0.00 C ATOM 742 OE1 GLU A 50 -11.974 -14.676 13.063 1.00 0.00 O ATOM 743 OE2 GLU A 50 -12.748 -13.419 14.691 1.00 0.00 O ATOM 0 H GLU A 50 -11.054 -9.945 11.395 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.587 -11.644 13.197 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.271 -12.168 10.716 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.588 -13.434 11.717 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.104 -11.454 13.273 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.076 -12.236 12.043 1.00 0.00 H new ATOM 750 N LEU A 51 -8.476 -11.079 10.175 1.00 0.00 N ATOM 751 CA LEU A 51 -7.336 -11.259 9.284 1.00 0.00 C ATOM 752 C LEU A 51 -6.044 -10.791 9.949 1.00 0.00 C ATOM 753 O LEU A 51 -4.965 -11.309 9.662 1.00 0.00 O ATOM 754 CB LEU A 51 -7.557 -10.496 7.977 1.00 0.00 C ATOM 755 CG LEU A 51 -8.572 -11.126 7.022 1.00 0.00 C ATOM 756 CD1 LEU A 51 -8.961 -10.143 5.930 1.00 0.00 C ATOM 757 CD2 LEU A 51 -8.010 -12.404 6.418 1.00 0.00 C ATOM 0 H LEU A 51 -9.163 -10.400 9.849 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.244 -12.323 9.064 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.885 -9.484 8.216 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.601 -10.407 7.460 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.468 -11.378 7.589 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.684 -10.610 5.261 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.405 -9.255 6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.074 -9.858 5.364 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.744 -12.840 5.741 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.098 -12.175 5.866 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.784 -13.114 7.214 1.00 0.00 H new ATOM 769 N THR A 52 -6.163 -9.809 10.836 1.00 0.00 N ATOM 770 CA THR A 52 -5.003 -9.272 11.540 1.00 0.00 C ATOM 771 C THR A 52 -4.303 -10.360 12.347 1.00 0.00 C ATOM 772 O THR A 52 -3.094 -10.299 12.572 1.00 0.00 O ATOM 773 CB THR A 52 -5.427 -8.129 12.465 1.00 0.00 C ATOM 774 OG1 THR A 52 -6.258 -7.211 11.779 1.00 0.00 O ATOM 775 CG2 THR A 52 -4.257 -7.355 13.033 1.00 0.00 C ATOM 0 H THR A 52 -7.049 -9.369 11.085 1.00 0.00 H new ATOM 0 HA THR A 52 -4.303 -8.890 10.797 1.00 0.00 H new ATOM 0 HB THR A 52 -5.961 -8.605 13.288 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.044 -7.680 11.429 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.627 -6.559 13.680 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.622 -8.027 13.611 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.678 -6.920 12.218 1.00 0.00 H new ATOM 783 N ARG A 53 -5.068 -11.357 12.780 1.00 0.00 N ATOM 784 CA ARG A 53 -4.518 -12.459 13.562 1.00 0.00 C ATOM 785 C ARG A 53 -3.880 -13.503 12.653 1.00 0.00 C ATOM 786 O ARG A 53 -2.758 -13.948 12.894 1.00 0.00 O ATOM 787 CB ARG A 53 -5.610 -13.111 14.418 1.00 0.00 C ATOM 788 CG ARG A 53 -6.676 -12.139 14.911 1.00 0.00 C ATOM 789 CD ARG A 53 -6.063 -10.886 15.518 1.00 0.00 C ATOM 790 NE ARG A 53 -4.892 -11.187 16.338 1.00 0.00 N ATOM 791 CZ ARG A 53 -4.953 -11.780 17.527 1.00 0.00 C ATOM 792 NH1 ARG A 53 -6.124 -12.135 18.041 1.00 0.00 N ATOM 793 NH2 ARG A 53 -3.839 -12.019 18.207 1.00 0.00 N ATOM 0 H ARG A 53 -6.070 -11.425 12.603 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.750 -12.052 14.220 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.091 -13.898 13.837 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.144 -13.590 15.279 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.325 -11.860 14.081 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.303 -12.633 15.654 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.779 -10.199 14.721 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.810 -10.376 16.127 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.974 -10.927 15.978 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.984 -11.953 17.524 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.164 -12.589 18.953 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.936 -11.748 17.818 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.886 -12.474 19.119 1.00 0.00 H new ATOM 807 N LEU A 54 -4.602 -13.891 11.607 1.00 0.00 N ATOM 808 CA LEU A 54 -4.107 -14.884 10.661 1.00 0.00 C ATOM 809 C LEU A 54 -2.880 -14.365 9.919 1.00 0.00 C ATOM 810 O LEU A 54 -1.978 -15.131 9.579 1.00 0.00 O ATOM 811 CB LEU A 54 -5.202 -15.256 9.660 1.00 0.00 C ATOM 812 CG LEU A 54 -4.896 -16.474 8.788 1.00 0.00 C ATOM 813 CD1 LEU A 54 -4.874 -17.741 9.629 1.00 0.00 C ATOM 814 CD2 LEU A 54 -5.915 -16.594 7.665 1.00 0.00 C ATOM 0 H LEU A 54 -5.533 -13.532 11.393 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.821 -15.773 11.223 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.125 -15.444 10.208 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.385 -14.400 9.010 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.909 -16.341 8.344 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.655 -18.597 8.991 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.106 -17.654 10.397 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.846 -17.881 10.102 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.682 -17.466 7.054 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.913 -16.704 8.089 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.881 -15.698 7.046 1.00 0.00 H new ATOM 826 N LEU A 55 -2.853 -13.060 9.671 1.00 0.00 N ATOM 827 CA LEU A 55 -1.736 -12.438 8.969 1.00 0.00 C ATOM 828 C LEU A 55 -0.478 -12.445 9.831 1.00 0.00 C ATOM 829 O LEU A 55 0.603 -12.804 9.366 1.00 0.00 O ATOM 830 CB LEU A 55 -2.090 -11.003 8.575 1.00 0.00 C ATOM 831 CG LEU A 55 -3.178 -10.875 7.509 1.00 0.00 C ATOM 832 CD1 LEU A 55 -3.834 -9.505 7.575 1.00 0.00 C ATOM 833 CD2 LEU A 55 -2.598 -11.123 6.124 1.00 0.00 C ATOM 0 H LEU A 55 -3.592 -12.412 9.946 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.539 -13.018 8.067 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.412 -10.466 9.467 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.188 -10.509 8.213 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.940 -11.629 7.704 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.606 -9.434 6.808 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.285 -9.364 8.557 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.083 -8.733 7.407 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.386 -11.028 5.377 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.816 -10.392 5.921 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.176 -12.127 6.081 1.00 0.00 H new ATOM 845 N ALA A 56 -0.628 -12.047 11.090 1.00 0.00 N ATOM 846 CA ALA A 56 0.496 -12.006 12.018 1.00 0.00 C ATOM 847 C ALA A 56 1.066 -13.402 12.250 1.00 0.00 C ATOM 848 O ALA A 56 2.262 -13.563 12.491 1.00 0.00 O ATOM 849 CB ALA A 56 0.069 -11.382 13.338 1.00 0.00 C ATOM 0 H ALA A 56 -1.517 -11.748 11.491 1.00 0.00 H new ATOM 0 HA ALA A 56 1.279 -11.390 11.575 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.918 -11.358 14.021 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.284 -10.366 13.163 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.733 -11.974 13.778 1.00 0.00 H new ATOM 855 N ARG A 57 0.200 -14.409 12.176 1.00 0.00 N ATOM 856 CA ARG A 57 0.619 -15.792 12.379 1.00 0.00 C ATOM 857 C ARG A 57 1.409 -16.302 11.178 1.00 0.00 C ATOM 858 O ARG A 57 2.423 -16.982 11.335 1.00 0.00 O ATOM 859 CB ARG A 57 -0.600 -16.684 12.619 1.00 0.00 C ATOM 860 CG ARG A 57 -0.289 -17.930 13.432 1.00 0.00 C ATOM 861 CD ARG A 57 -1.109 -19.122 12.962 1.00 0.00 C ATOM 862 NE ARG A 57 -0.984 -20.262 13.867 1.00 0.00 N ATOM 863 CZ ARG A 57 -1.576 -20.333 15.057 1.00 0.00 C ATOM 864 NH1 ARG A 57 -2.331 -19.332 15.491 1.00 0.00 N ATOM 865 NH2 ARG A 57 -1.411 -21.408 15.816 1.00 0.00 N ATOM 0 H ARG A 57 -0.794 -14.293 11.977 1.00 0.00 H new ATOM 0 HA ARG A 57 1.265 -15.826 13.257 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.367 -16.106 13.134 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.017 -16.982 11.657 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.773 -18.163 13.351 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.494 -17.739 14.485 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.157 -18.833 12.885 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.785 -19.414 11.963 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.409 -21.050 13.569 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.460 -18.502 14.912 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.782 -19.392 16.404 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.831 -22.180 15.488 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.864 -21.463 16.728 1.00 0.00 H new ATOM 879 N MET A 58 0.937 -15.971 9.980 1.00 0.00 N ATOM 880 CA MET A 58 1.600 -16.397 8.754 1.00 0.00 C ATOM 881 C MET A 58 2.984 -15.766 8.636 1.00 0.00 C ATOM 882 O MET A 58 3.917 -16.385 8.125 1.00 0.00 O ATOM 883 CB MET A 58 0.752 -16.027 7.537 1.00 0.00 C ATOM 884 CG MET A 58 -0.451 -16.935 7.334 1.00 0.00 C ATOM 885 SD MET A 58 -0.932 -17.076 5.603 1.00 0.00 S ATOM 886 CE MET A 58 -1.090 -15.349 5.153 1.00 0.00 C ATOM 0 H MET A 58 0.098 -15.409 9.833 1.00 0.00 H new ATOM 0 HA MET A 58 1.717 -17.480 8.791 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.407 -14.999 7.644 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.377 -16.062 6.645 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.223 -17.926 7.725 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.292 -16.551 7.910 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.938 -15.225 4.479 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.250 -14.752 6.051 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.179 -15.018 4.655 1.00 0.00 H new ATOM 896 N TRP A 59 3.108 -14.531 9.111 1.00 0.00 N ATOM 897 CA TRP A 59 4.378 -13.817 9.057 1.00 0.00 C ATOM 898 C TRP A 59 5.458 -14.565 9.832 1.00 0.00 C ATOM 899 O TRP A 59 6.626 -14.566 9.445 1.00 0.00 O ATOM 900 CB TRP A 59 4.216 -12.404 9.622 1.00 0.00 C ATOM 901 CG TRP A 59 5.455 -11.570 9.501 1.00 0.00 C ATOM 902 CD1 TRP A 59 6.228 -11.099 10.523 1.00 0.00 C ATOM 903 CD2 TRP A 59 6.063 -11.106 8.290 1.00 0.00 C ATOM 904 NE1 TRP A 59 7.280 -10.372 10.022 1.00 0.00 N ATOM 905 CE2 TRP A 59 7.201 -10.362 8.654 1.00 0.00 C ATOM 906 CE3 TRP A 59 5.757 -11.251 6.934 1.00 0.00 C ATOM 907 CZ2 TRP A 59 8.032 -9.763 7.710 1.00 0.00 C ATOM 908 CZ3 TRP A 59 6.584 -10.656 5.998 1.00 0.00 C ATOM 909 CH2 TRP A 59 7.709 -9.920 6.390 1.00 0.00 C ATOM 0 H TRP A 59 2.345 -14.005 9.537 1.00 0.00 H new ATOM 0 HA TRP A 59 4.685 -13.752 8.013 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.398 -11.904 9.103 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.933 -12.471 10.672 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.040 -11.273 11.572 1.00 0.00 H new ATOM 0 HE1 TRP A 59 8.002 -9.914 10.578 1.00 0.00 H new ATOM 0 HE3 TRP A 59 4.891 -11.817 6.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 8.900 -9.195 8.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 6.358 -10.761 4.947 1.00 0.00 H new ATOM 0 HH2 TRP A 59 8.334 -9.467 5.635 1.00 0.00 H new ATOM 920 N ASN A 60 5.058 -15.201 10.929 1.00 0.00 N ATOM 921 CA ASN A 60 5.993 -15.955 11.758 1.00 0.00 C ATOM 922 C ASN A 60 6.408 -17.251 11.070 1.00 0.00 C ATOM 923 O ASN A 60 7.546 -17.700 11.206 1.00 0.00 O ATOM 924 CB ASN A 60 5.364 -16.264 13.118 1.00 0.00 C ATOM 925 CG ASN A 60 5.179 -15.020 13.965 1.00 0.00 C ATOM 926 OD1 ASN A 60 6.139 -14.309 14.263 1.00 0.00 O ATOM 927 ND2 ASN A 60 3.940 -14.750 14.358 1.00 0.00 N ATOM 0 H ASN A 60 4.095 -15.210 11.264 1.00 0.00 H new ATOM 0 HA ASN A 60 6.883 -15.344 11.907 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.397 -16.745 12.967 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.994 -16.975 13.653 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.754 -13.926 14.930 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.174 -15.367 14.088 1.00 0.00 H new ATOM 934 N ASP A 61 5.477 -17.847 10.332 1.00 0.00 N ATOM 935 CA ASP A 61 5.746 -19.092 9.623 1.00 0.00 C ATOM 936 C ASP A 61 6.686 -18.858 8.443 1.00 0.00 C ATOM 937 O ASP A 61 7.416 -19.758 8.031 1.00 0.00 O ATOM 938 CB ASP A 61 4.438 -19.716 9.132 1.00 0.00 C ATOM 939 CG ASP A 61 3.901 -20.761 10.090 1.00 0.00 C ATOM 940 OD1 ASP A 61 3.598 -20.406 11.248 1.00 0.00 O ATOM 941 OD2 ASP A 61 3.783 -21.936 9.682 1.00 0.00 O ATOM 0 H ASP A 61 4.530 -17.488 10.210 1.00 0.00 H new ATOM 0 HA ASP A 61 6.231 -19.778 10.318 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.692 -18.932 8.998 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.600 -20.172 8.155 1.00 0.00 H new ATOM 946 N LEU A 62 6.661 -17.641 7.904 1.00 0.00 N ATOM 947 CA LEU A 62 7.511 -17.289 6.772 1.00 0.00 C ATOM 948 C LEU A 62 8.982 -17.532 7.096 1.00 0.00 C ATOM 949 O LEU A 62 9.340 -17.797 8.243 1.00 0.00 O ATOM 950 CB LEU A 62 7.299 -15.824 6.385 1.00 0.00 C ATOM 951 CG LEU A 62 6.029 -15.544 5.579 1.00 0.00 C ATOM 952 CD1 LEU A 62 5.925 -14.063 5.246 1.00 0.00 C ATOM 953 CD2 LEU A 62 6.008 -16.384 4.308 1.00 0.00 C ATOM 0 H LEU A 62 6.062 -16.884 8.233 1.00 0.00 H new ATOM 0 HA LEU A 62 7.234 -17.925 5.932 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.273 -15.224 7.295 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.160 -15.489 5.806 1.00 0.00 H new ATOM 0 HG LEU A 62 5.167 -15.820 6.186 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.016 -13.882 4.673 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.893 -13.484 6.169 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.791 -13.761 4.658 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.098 -16.172 3.747 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.876 -16.140 3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.035 -17.442 4.570 1.00 0.00 H new ATOM 965 N SER A 63 9.831 -17.438 6.076 1.00 0.00 N ATOM 966 CA SER A 63 11.264 -17.647 6.252 1.00 0.00 C ATOM 967 C SER A 63 12.042 -16.375 5.935 1.00 0.00 C ATOM 968 O SER A 63 11.465 -15.368 5.525 1.00 0.00 O ATOM 969 CB SER A 63 11.746 -18.792 5.358 1.00 0.00 C ATOM 970 OG SER A 63 11.118 -20.012 5.708 1.00 0.00 O ATOM 0 H SER A 63 9.551 -17.219 5.120 1.00 0.00 H new ATOM 0 HA SER A 63 11.443 -17.909 7.295 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.534 -18.557 4.315 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.827 -18.897 5.448 1.00 0.00 H new ATOM 0 HG SER A 63 11.442 -20.727 5.121 1.00 0.00 H new ATOM 976 N GLU A 64 13.355 -16.429 6.124 1.00 0.00 N ATOM 977 CA GLU A 64 14.215 -15.281 5.858 1.00 0.00 C ATOM 978 C GLU A 64 14.167 -14.895 4.383 1.00 0.00 C ATOM 979 O GLU A 64 14.329 -13.726 4.032 1.00 0.00 O ATOM 980 CB GLU A 64 15.655 -15.589 6.271 1.00 0.00 C ATOM 981 CG GLU A 64 16.501 -14.347 6.503 1.00 0.00 C ATOM 982 CD GLU A 64 16.575 -13.957 7.965 1.00 0.00 C ATOM 983 OE1 GLU A 64 15.628 -13.308 8.456 1.00 0.00 O ATOM 984 OE2 GLU A 64 17.581 -14.300 8.621 1.00 0.00 O ATOM 0 H GLU A 64 13.848 -17.256 6.461 1.00 0.00 H new ATOM 0 HA GLU A 64 13.848 -14.440 6.447 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.643 -16.186 7.183 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.123 -16.198 5.498 1.00 0.00 H new ATOM 0 HG2 GLU A 64 17.509 -14.523 6.126 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.087 -13.517 5.930 1.00 0.00 H new ATOM 991 N LYS A 65 13.948 -15.883 3.523 1.00 0.00 N ATOM 992 CA LYS A 65 13.882 -15.647 2.086 1.00 0.00 C ATOM 993 C LYS A 65 12.570 -14.966 1.705 1.00 0.00 C ATOM 994 O LYS A 65 12.566 -13.948 1.014 1.00 0.00 O ATOM 995 CB LYS A 65 14.025 -16.966 1.324 1.00 0.00 C ATOM 996 CG LYS A 65 15.466 -17.339 1.021 1.00 0.00 C ATOM 997 CD LYS A 65 15.592 -18.803 0.626 1.00 0.00 C ATOM 998 CE LYS A 65 15.643 -18.969 -0.884 1.00 0.00 C ATOM 999 NZ LYS A 65 15.386 -20.375 -1.297 1.00 0.00 N ATOM 0 H LYS A 65 13.813 -16.856 3.797 1.00 0.00 H new ATOM 0 HA LYS A 65 14.705 -14.987 1.814 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.566 -17.765 1.907 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.472 -16.897 0.388 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.844 -16.710 0.215 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.085 -17.143 1.896 1.00 0.00 H new ATOM 0 HD2 LYS A 65 16.494 -19.225 1.070 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.747 -19.363 1.027 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.904 -18.314 -1.346 1.00 0.00 H new ATOM 0 HE3 LYS A 65 16.621 -18.656 -1.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.430 -20.446 -2.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.106 -20.997 -0.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.443 -20.666 -0.970 1.00 0.00 H new ATOM 1013 N LYS A 66 11.459 -15.537 2.159 1.00 0.00 N ATOM 1014 CA LYS A 66 10.141 -14.986 1.864 1.00 0.00 C ATOM 1015 C LYS A 66 9.960 -13.621 2.520 1.00 0.00 C ATOM 1016 O LYS A 66 9.262 -12.756 1.992 1.00 0.00 O ATOM 1017 CB LYS A 66 9.047 -15.943 2.342 1.00 0.00 C ATOM 1018 CG LYS A 66 8.740 -17.057 1.355 1.00 0.00 C ATOM 1019 CD LYS A 66 7.286 -17.490 1.439 1.00 0.00 C ATOM 1020 CE LYS A 66 6.973 -18.590 0.438 1.00 0.00 C ATOM 1021 NZ LYS A 66 5.533 -18.604 0.059 1.00 0.00 N ATOM 0 H LYS A 66 11.445 -16.381 2.732 1.00 0.00 H new ATOM 0 HA LYS A 66 10.061 -14.862 0.784 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.351 -16.384 3.292 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.136 -15.375 2.531 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.962 -16.719 0.343 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.387 -17.911 1.555 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.068 -17.842 2.447 1.00 0.00 H new ATOM 0 HD3 LYS A 66 6.639 -16.633 1.253 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.582 -18.452 -0.455 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.246 -19.556 0.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.361 -19.368 -0.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.952 -18.762 0.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.278 -17.692 -0.370 1.00 0.00 H new ATOM 1035 N LYS A 67 10.592 -13.436 3.675 1.00 0.00 N ATOM 1036 CA LYS A 67 10.498 -12.175 4.403 1.00 0.00 C ATOM 1037 C LYS A 67 11.300 -11.080 3.706 1.00 0.00 C ATOM 1038 O LYS A 67 10.912 -9.913 3.713 1.00 0.00 O ATOM 1039 CB LYS A 67 10.996 -12.354 5.839 1.00 0.00 C ATOM 1040 CG LYS A 67 9.888 -12.677 6.830 1.00 0.00 C ATOM 1041 CD LYS A 67 10.109 -14.025 7.499 1.00 0.00 C ATOM 1042 CE LYS A 67 9.391 -14.110 8.837 1.00 0.00 C ATOM 1043 NZ LYS A 67 10.343 -14.086 9.982 1.00 0.00 N ATOM 0 H LYS A 67 11.174 -14.142 4.126 1.00 0.00 H new ATOM 0 HA LYS A 67 9.451 -11.874 4.423 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.737 -13.153 5.861 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.502 -11.442 6.156 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.840 -11.897 7.590 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.928 -12.679 6.315 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.753 -14.820 6.843 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.177 -14.188 7.647 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.693 -13.278 8.928 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.801 -15.026 8.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.813 -14.146 10.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.993 -14.895 9.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.888 -13.201 9.962 1.00 0.00 H new ATOM 1057 N ALA A 68 12.421 -11.467 3.106 1.00 0.00 N ATOM 1058 CA ALA A 68 13.278 -10.517 2.404 1.00 0.00 C ATOM 1059 C ALA A 68 12.523 -9.819 1.279 1.00 0.00 C ATOM 1060 O ALA A 68 12.826 -8.678 0.930 1.00 0.00 O ATOM 1061 CB ALA A 68 14.509 -11.224 1.858 1.00 0.00 C ATOM 0 H ALA A 68 12.757 -12.430 3.091 1.00 0.00 H new ATOM 0 HA ALA A 68 13.594 -9.756 3.117 1.00 0.00 H new ATOM 0 HB1 ALA A 68 15.140 -10.505 1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.069 -11.668 2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.201 -12.007 1.164 1.00 0.00 H new ATOM 1067 N LYS A 69 11.541 -10.513 0.712 1.00 0.00 N ATOM 1068 CA LYS A 69 10.743 -9.960 -0.377 1.00 0.00 C ATOM 1069 C LYS A 69 10.020 -8.691 0.065 1.00 0.00 C ATOM 1070 O LYS A 69 9.773 -7.794 -0.741 1.00 0.00 O ATOM 1071 CB LYS A 69 9.728 -10.993 -0.869 1.00 0.00 C ATOM 1072 CG LYS A 69 10.355 -12.133 -1.656 1.00 0.00 C ATOM 1073 CD LYS A 69 11.112 -11.620 -2.871 1.00 0.00 C ATOM 1074 CE LYS A 69 10.905 -12.520 -4.078 1.00 0.00 C ATOM 1075 NZ LYS A 69 12.158 -12.692 -4.865 1.00 0.00 N ATOM 0 H LYS A 69 11.279 -11.459 0.989 1.00 0.00 H new ATOM 0 HA LYS A 69 11.418 -9.705 -1.194 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.195 -11.404 -0.011 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.988 -10.494 -1.495 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.034 -12.691 -1.012 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.577 -12.826 -1.976 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.779 -10.609 -3.108 1.00 0.00 H new ATOM 0 HD3 LYS A 69 12.175 -11.559 -2.639 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.548 -13.495 -3.747 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.130 -12.097 -4.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.974 -13.312 -5.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 12.486 -11.765 -5.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 12.890 -13.119 -4.263 1.00 0.00 H new ATOM 1089 N TYR A 70 9.679 -8.622 1.348 1.00 0.00 N ATOM 1090 CA TYR A 70 8.982 -7.464 1.893 1.00 0.00 C ATOM 1091 C TYR A 70 9.946 -6.542 2.632 1.00 0.00 C ATOM 1092 O TYR A 70 9.791 -5.320 2.614 1.00 0.00 O ATOM 1093 CB TYR A 70 7.863 -7.912 2.836 1.00 0.00 C ATOM 1094 CG TYR A 70 7.028 -9.048 2.289 1.00 0.00 C ATOM 1095 CD1 TYR A 70 5.946 -8.801 1.454 1.00 0.00 C ATOM 1096 CD2 TYR A 70 7.322 -10.367 2.609 1.00 0.00 C ATOM 1097 CE1 TYR A 70 5.180 -9.837 0.954 1.00 0.00 C ATOM 1098 CE2 TYR A 70 6.561 -11.409 2.111 1.00 0.00 C ATOM 1099 CZ TYR A 70 5.492 -11.139 1.285 1.00 0.00 C ATOM 1100 OH TYR A 70 4.732 -12.172 0.787 1.00 0.00 O ATOM 0 H TYR A 70 9.875 -9.355 2.029 1.00 0.00 H new ATOM 0 HA TYR A 70 8.548 -6.911 1.060 1.00 0.00 H new ATOM 0 HB2 TYR A 70 8.301 -8.219 3.786 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.213 -7.062 3.044 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.699 -7.783 1.191 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.158 -10.583 3.257 1.00 0.00 H new ATOM 0 HE1 TYR A 70 4.341 -9.628 0.307 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.804 -12.429 2.368 1.00 0.00 H new ATOM 0 HH TYR A 70 5.085 -13.025 1.115 1.00 0.00 H new ATOM 1110 N LYS A 71 10.943 -7.134 3.283 1.00 0.00 N ATOM 1111 CA LYS A 71 11.933 -6.365 4.029 1.00 0.00 C ATOM 1112 C LYS A 71 12.708 -5.429 3.107 1.00 0.00 C ATOM 1113 O LYS A 71 13.165 -4.365 3.528 1.00 0.00 O ATOM 1114 CB LYS A 71 12.899 -7.306 4.752 1.00 0.00 C ATOM 1115 CG LYS A 71 12.510 -7.584 6.196 1.00 0.00 C ATOM 1116 CD LYS A 71 12.368 -9.075 6.461 1.00 0.00 C ATOM 1117 CE LYS A 71 13.681 -9.808 6.237 1.00 0.00 C ATOM 1118 NZ LYS A 71 14.377 -10.109 7.519 1.00 0.00 N ATOM 0 H LYS A 71 11.086 -8.144 3.309 1.00 0.00 H new ATOM 0 HA LYS A 71 11.405 -5.760 4.766 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.948 -8.250 4.209 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.899 -6.873 4.731 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.263 -7.166 6.863 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.569 -7.082 6.423 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.032 -9.233 7.486 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.602 -9.491 5.807 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.490 -10.738 5.701 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.331 -9.203 5.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.267 -10.609 7.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.582 -9.221 8.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.768 -10.708 8.112 1.00 0.00 H new ATOM 1132 N ALA A 72 12.855 -5.830 1.848 1.00 0.00 N ATOM 1133 CA ALA A 72 13.577 -5.025 0.869 1.00 0.00 C ATOM 1134 C ALA A 72 12.778 -3.786 0.477 1.00 0.00 C ATOM 1135 O ALA A 72 13.345 -2.720 0.241 1.00 0.00 O ATOM 1136 CB ALA A 72 13.900 -5.859 -0.362 1.00 0.00 C ATOM 0 H ALA A 72 12.484 -6.707 1.482 1.00 0.00 H new ATOM 0 HA ALA A 72 14.509 -4.692 1.325 1.00 0.00 H new ATOM 0 HB1 ALA A 72 14.439 -5.247 -1.085 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.519 -6.709 -0.074 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.974 -6.220 -0.810 1.00 0.00 H new ATOM 1142 N ARG A 73 11.459 -3.936 0.408 1.00 0.00 N ATOM 1143 CA ARG A 73 10.582 -2.828 0.043 1.00 0.00 C ATOM 1144 C ARG A 73 10.378 -1.877 1.220 1.00 0.00 C ATOM 1145 O ARG A 73 10.081 -0.698 1.031 1.00 0.00 O ATOM 1146 CB ARG A 73 9.230 -3.360 -0.436 1.00 0.00 C ATOM 1147 CG ARG A 73 9.343 -4.496 -1.440 1.00 0.00 C ATOM 1148 CD ARG A 73 8.040 -5.271 -1.551 1.00 0.00 C ATOM 1149 NE ARG A 73 7.844 -5.824 -2.890 1.00 0.00 N ATOM 1150 CZ ARG A 73 6.667 -6.230 -3.359 1.00 0.00 C ATOM 1151 NH1 ARG A 73 5.580 -6.150 -2.603 1.00 0.00 N ATOM 1152 NH2 ARG A 73 6.576 -6.718 -4.589 1.00 0.00 N ATOM 0 H ARG A 73 10.974 -4.813 0.600 1.00 0.00 H new ATOM 0 HA ARG A 73 11.058 -2.274 -0.766 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.658 -3.704 0.426 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.667 -2.543 -0.887 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.613 -4.095 -2.417 1.00 0.00 H new ATOM 0 HG3 ARG A 73 10.145 -5.171 -1.139 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.036 -6.080 -0.821 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.206 -4.615 -1.304 1.00 0.00 H new ATOM 0 HE ARG A 73 8.657 -5.903 -3.500 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.644 -5.776 -1.656 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.681 -6.463 -2.968 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.408 -6.782 -5.175 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.674 -7.029 -4.949 1.00 0.00 H new ATOM 1166 N GLU A 74 10.536 -2.398 2.434 1.00 0.00 N ATOM 1167 CA GLU A 74 10.366 -1.596 3.641 1.00 0.00 C ATOM 1168 C GLU A 74 11.267 -0.363 3.617 1.00 0.00 C ATOM 1169 O GLU A 74 10.942 0.664 4.211 1.00 0.00 O ATOM 1170 CB GLU A 74 10.667 -2.438 4.882 1.00 0.00 C ATOM 1171 CG GLU A 74 10.499 -1.679 6.188 1.00 0.00 C ATOM 1172 CD GLU A 74 11.827 -1.302 6.818 1.00 0.00 C ATOM 1173 OE1 GLU A 74 12.844 -1.285 6.094 1.00 0.00 O ATOM 1174 OE2 GLU A 74 11.848 -1.024 8.036 1.00 0.00 O ATOM 0 H GLU A 74 10.782 -3.373 2.607 1.00 0.00 H new ATOM 0 HA GLU A 74 9.330 -1.260 3.677 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.009 -3.307 4.889 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.689 -2.812 4.818 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.917 -0.775 6.007 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.929 -2.290 6.888 1.00 0.00 H new ATOM 1181 N ALA A 75 12.399 -0.474 2.931 1.00 0.00 N ATOM 1182 CA ALA A 75 13.343 0.633 2.835 1.00 0.00 C ATOM 1183 C ALA A 75 12.904 1.644 1.781 1.00 0.00 C ATOM 1184 O ALA A 75 13.212 2.832 1.881 1.00 0.00 O ATOM 1185 CB ALA A 75 14.737 0.112 2.522 1.00 0.00 C ATOM 0 H ALA A 75 12.685 -1.318 2.434 1.00 0.00 H new ATOM 0 HA ALA A 75 13.365 1.142 3.799 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.431 0.949 2.453 1.00 0.00 H new ATOM 0 HB2 ALA A 75 15.060 -0.563 3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.720 -0.424 1.573 1.00 0.00 H new ATOM 1191 N ALA A 76 12.185 1.167 0.771 1.00 0.00 N ATOM 1192 CA ALA A 76 11.706 2.032 -0.301 1.00 0.00 C ATOM 1193 C ALA A 76 10.365 2.664 0.057 1.00 0.00 C ATOM 1194 O ALA A 76 10.038 3.754 -0.411 1.00 0.00 O ATOM 1195 CB ALA A 76 11.593 1.247 -1.599 1.00 0.00 C ATOM 0 H ALA A 76 11.921 0.187 0.672 1.00 0.00 H new ATOM 0 HA ALA A 76 12.429 2.836 -0.436 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.234 1.904 -2.391 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.571 0.851 -1.871 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.892 0.423 -1.466 1.00 0.00 H new ATOM 1201 N LEU A 77 9.591 1.973 0.888 1.00 0.00 N ATOM 1202 CA LEU A 77 8.284 2.469 1.305 1.00 0.00 C ATOM 1203 C LEU A 77 8.413 3.420 2.491 1.00 0.00 C ATOM 1204 O LEU A 77 7.894 4.536 2.463 1.00 0.00 O ATOM 1205 CB LEU A 77 7.365 1.303 1.673 1.00 0.00 C ATOM 1206 CG LEU A 77 6.968 0.397 0.508 1.00 0.00 C ATOM 1207 CD1 LEU A 77 6.352 -0.895 1.024 1.00 0.00 C ATOM 1208 CD2 LEU A 77 6.002 1.116 -0.421 1.00 0.00 C ATOM 0 H LEU A 77 9.846 1.069 1.286 1.00 0.00 H new ATOM 0 HA LEU A 77 7.850 3.016 0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.859 0.697 2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.458 1.704 2.126 1.00 0.00 H new ATOM 0 HG LEU A 77 7.866 0.148 -0.057 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.075 -1.528 0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.075 -1.419 1.649 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.464 -0.665 1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.730 0.456 -1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.105 1.395 0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.478 2.013 -0.817 1.00 0.00 H new ATOM 1220 N LYS A 78 9.106 2.970 3.532 1.00 0.00 N ATOM 1221 CA LYS A 78 9.300 3.782 4.729 1.00 0.00 C ATOM 1222 C LYS A 78 9.994 5.099 4.395 1.00 0.00 C ATOM 1223 O LYS A 78 9.829 6.094 5.100 1.00 0.00 O ATOM 1224 CB LYS A 78 10.118 3.009 5.766 1.00 0.00 C ATOM 1225 CG LYS A 78 9.864 3.457 7.197 1.00 0.00 C ATOM 1226 CD LYS A 78 11.134 3.968 7.859 1.00 0.00 C ATOM 1227 CE LYS A 78 11.780 2.899 8.725 1.00 0.00 C ATOM 1228 NZ LYS A 78 12.474 1.867 7.906 1.00 0.00 N ATOM 0 H LYS A 78 9.542 2.049 3.571 1.00 0.00 H new ATOM 0 HA LYS A 78 8.318 4.009 5.144 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.888 1.947 5.680 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.178 3.125 5.540 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.108 4.243 7.204 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.463 2.624 7.774 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.839 4.293 7.094 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.902 4.841 8.469 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.494 3.364 9.404 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.018 2.422 9.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.054 0.934 8.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.370 2.097 6.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.484 1.848 8.155 1.00 0.00 H new ATOM 1242 N ALA A 79 10.771 5.099 3.315 1.00 0.00 N ATOM 1243 CA ALA A 79 11.488 6.295 2.889 1.00 0.00 C ATOM 1244 C ALA A 79 10.531 7.461 2.661 1.00 0.00 C ATOM 1245 O ALA A 79 10.900 8.622 2.836 1.00 0.00 O ATOM 1246 CB ALA A 79 12.285 6.010 1.626 1.00 0.00 C ATOM 0 H ALA A 79 10.919 4.284 2.720 1.00 0.00 H new ATOM 0 HA ALA A 79 12.177 6.577 3.686 1.00 0.00 H new ATOM 0 HB1 ALA A 79 12.815 6.912 1.319 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.004 5.215 1.821 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.608 5.699 0.831 1.00 0.00 H new ATOM 1252 N GLN A 80 9.301 7.143 2.270 1.00 0.00 N ATOM 1253 CA GLN A 80 8.292 8.166 2.020 1.00 0.00 C ATOM 1254 C GLN A 80 7.911 8.883 3.311 1.00 0.00 C ATOM 1255 O GLN A 80 7.564 10.064 3.298 1.00 0.00 O ATOM 1256 CB GLN A 80 7.049 7.540 1.384 1.00 0.00 C ATOM 1257 CG GLN A 80 7.321 6.865 0.051 1.00 0.00 C ATOM 1258 CD GLN A 80 6.489 5.614 -0.150 1.00 0.00 C ATOM 1259 OE1 GLN A 80 5.976 5.035 0.808 1.00 0.00 O ATOM 1260 NE2 GLN A 80 6.349 5.189 -1.401 1.00 0.00 N ATOM 0 H GLN A 80 8.979 6.187 2.120 1.00 0.00 H new ATOM 0 HA GLN A 80 8.715 8.898 1.332 1.00 0.00 H new ATOM 0 HB2 GLN A 80 6.628 6.808 2.073 1.00 0.00 H new ATOM 0 HB3 GLN A 80 6.295 8.314 1.242 1.00 0.00 H new ATOM 0 HG2 GLN A 80 7.115 7.568 -0.756 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.378 6.608 -0.013 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.791 5.699 -2.165 1.00 0.00 H new ATOM 0 HE22 GLN A 80 5.799 4.353 -1.597 1.00 0.00 H new ATOM 1269 N SER A 81 7.979 8.162 4.425 1.00 0.00 N ATOM 1270 CA SER A 81 7.642 8.729 5.725 1.00 0.00 C ATOM 1271 C SER A 81 8.765 9.626 6.235 1.00 0.00 C ATOM 1272 O SER A 81 8.520 10.610 6.932 1.00 0.00 O ATOM 1273 CB SER A 81 7.362 7.613 6.735 1.00 0.00 C ATOM 1274 OG SER A 81 5.993 7.588 7.101 1.00 0.00 O ATOM 0 H SER A 81 8.265 7.183 4.453 1.00 0.00 H new ATOM 0 HA SER A 81 6.744 9.335 5.608 1.00 0.00 H new ATOM 0 HB2 SER A 81 7.645 6.651 6.307 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.977 7.760 7.623 1.00 0.00 H new ATOM 0 HG SER A 81 5.840 6.866 7.745 1.00 0.00 H new ATOM 1280 N GLU A 82 9.999 9.279 5.883 1.00 0.00 N ATOM 1281 CA GLU A 82 11.160 10.052 6.304 1.00 0.00 C ATOM 1282 C GLU A 82 11.495 11.134 5.283 1.00 0.00 C ATOM 1283 O GLU A 82 12.152 10.870 4.276 1.00 0.00 O ATOM 1284 CB GLU A 82 12.367 9.133 6.504 1.00 0.00 C ATOM 1285 CG GLU A 82 12.162 8.086 7.587 1.00 0.00 C ATOM 1286 CD GLU A 82 11.876 8.700 8.943 1.00 0.00 C ATOM 1287 OE1 GLU A 82 12.742 9.442 9.453 1.00 0.00 O ATOM 1288 OE2 GLU A 82 10.788 8.438 9.496 1.00 0.00 O ATOM 0 H GLU A 82 10.220 8.467 5.307 1.00 0.00 H new ATOM 0 HA GLU A 82 10.918 10.534 7.251 1.00 0.00 H new ATOM 0 HB2 GLU A 82 12.591 8.631 5.563 1.00 0.00 H new ATOM 0 HB3 GLU A 82 13.237 9.739 6.757 1.00 0.00 H new ATOM 0 HG2 GLU A 82 11.335 7.434 7.305 1.00 0.00 H new ATOM 0 HG3 GLU A 82 13.052 7.460 7.656 1.00 0.00 H new ATOM 1295 N ARG A 83 11.039 12.354 5.550 1.00 0.00 N ATOM 1296 CA ARG A 83 11.290 13.477 4.655 1.00 0.00 C ATOM 1297 C ARG A 83 12.344 14.413 5.238 1.00 0.00 C ATOM 1298 O ARG A 83 13.136 15.005 4.507 1.00 0.00 O ATOM 1299 CB ARG A 83 9.995 14.248 4.392 1.00 0.00 C ATOM 1300 CG ARG A 83 10.092 15.221 3.227 1.00 0.00 C ATOM 1301 CD ARG A 83 9.862 16.655 3.675 1.00 0.00 C ATOM 1302 NE ARG A 83 8.466 17.058 3.529 1.00 0.00 N ATOM 1303 CZ ARG A 83 7.915 17.419 2.373 1.00 0.00 C ATOM 1304 NH1 ARG A 83 8.638 17.428 1.260 1.00 0.00 N ATOM 1305 NH2 ARG A 83 6.637 17.770 2.329 1.00 0.00 N ATOM 0 H ARG A 83 10.494 12.589 6.379 1.00 0.00 H new ATOM 0 HA ARG A 83 11.665 13.080 3.712 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.192 13.537 4.195 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.720 14.798 5.292 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.075 15.137 2.763 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.357 14.954 2.467 1.00 0.00 H new ATOM 0 HD2 ARG A 83 10.163 16.762 4.717 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.495 17.323 3.091 1.00 0.00 H new ATOM 0 HE ARG A 83 7.878 17.063 4.363 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.621 17.157 1.288 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.211 17.706 0.376 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.077 17.763 3.181 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.214 18.047 1.443 1.00 0.00 H new ATOM 1319 N LYS A 84 12.346 14.539 6.561 1.00 0.00 N ATOM 1320 CA LYS A 84 13.302 15.402 7.245 1.00 0.00 C ATOM 1321 C LYS A 84 14.548 14.621 7.647 1.00 0.00 C ATOM 1322 O LYS A 84 14.702 14.229 8.803 1.00 0.00 O ATOM 1323 CB LYS A 84 12.659 16.031 8.483 1.00 0.00 C ATOM 1324 CG LYS A 84 13.291 17.353 8.891 1.00 0.00 C ATOM 1325 CD LYS A 84 13.374 17.487 10.404 1.00 0.00 C ATOM 1326 CE LYS A 84 11.993 17.472 11.040 1.00 0.00 C ATOM 1327 NZ LYS A 84 11.270 18.756 10.828 1.00 0.00 N ATOM 0 H LYS A 84 11.697 14.055 7.181 1.00 0.00 H new ATOM 0 HA LYS A 84 13.597 16.193 6.556 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.598 16.189 8.291 1.00 0.00 H new ATOM 0 HB3 LYS A 84 12.731 15.331 9.315 1.00 0.00 H new ATOM 0 HG2 LYS A 84 14.291 17.427 8.463 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.707 18.178 8.483 1.00 0.00 H new ATOM 0 HD2 LYS A 84 13.972 16.671 10.811 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.884 18.415 10.661 1.00 0.00 H new ATOM 0 HE2 LYS A 84 11.409 16.653 10.620 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.088 17.281 12.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.333 18.705 11.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 11.814 19.535 11.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.157 18.926 9.808 1.00 0.00 H new ATOM 1341 N SER A 85 15.437 14.398 6.683 1.00 0.00 N ATOM 1342 CA SER A 85 16.671 13.663 6.938 1.00 0.00 C ATOM 1343 C SER A 85 17.740 14.578 7.525 1.00 0.00 C ATOM 1344 O SER A 85 18.236 15.482 6.851 1.00 0.00 O ATOM 1345 CB SER A 85 17.183 13.025 5.645 1.00 0.00 C ATOM 1346 OG SER A 85 16.770 13.767 4.511 1.00 0.00 O ATOM 0 H SER A 85 15.326 14.715 5.720 1.00 0.00 H new ATOM 0 HA SER A 85 16.454 12.878 7.663 1.00 0.00 H new ATOM 0 HB2 SER A 85 18.271 12.969 5.670 1.00 0.00 H new ATOM 0 HB3 SER A 85 16.813 12.003 5.569 1.00 0.00 H new ATOM 0 HG SER A 85 17.112 13.339 3.698 1.00 0.00 H new ATOM 1352 N GLY A 86 18.090 14.338 8.784 1.00 0.00 N ATOM 1353 CA GLY A 86 19.098 15.149 9.442 1.00 0.00 C ATOM 1354 C GLY A 86 18.520 16.007 10.553 1.00 0.00 C ATOM 1355 O GLY A 86 17.370 16.438 10.469 1.00 0.00 O ATOM 0 H GLY A 86 17.694 13.596 9.361 1.00 0.00 H new ATOM 0 HA2 GLY A 86 19.870 14.499 9.854 1.00 0.00 H new ATOM 0 HA3 GLY A 86 19.581 15.791 8.705 1.00 0.00 H new ATOM 1359 N PRO A 87 19.299 16.274 11.615 1.00 0.00 N ATOM 1360 CA PRO A 87 18.841 17.092 12.744 1.00 0.00 C ATOM 1361 C PRO A 87 18.329 18.458 12.299 1.00 0.00 C ATOM 1362 O PRO A 87 18.163 18.711 11.106 1.00 0.00 O ATOM 1363 CB PRO A 87 20.096 17.249 13.608 1.00 0.00 C ATOM 1364 CG PRO A 87 20.953 16.085 13.252 1.00 0.00 C ATOM 1365 CD PRO A 87 20.683 15.801 11.801 1.00 0.00 C ATOM 0 HA PRO A 87 18.004 16.629 13.267 1.00 0.00 H new ATOM 0 HB2 PRO A 87 20.603 18.191 13.401 1.00 0.00 H new ATOM 0 HB3 PRO A 87 19.848 17.247 14.669 1.00 0.00 H new ATOM 0 HG2 PRO A 87 22.007 16.311 13.416 1.00 0.00 H new ATOM 0 HG3 PRO A 87 20.713 15.220 13.870 1.00 0.00 H new ATOM 0 HD2 PRO A 87 21.380 16.330 11.151 1.00 0.00 H new ATOM 0 HD3 PRO A 87 20.779 14.739 11.574 1.00 0.00 H new ATOM 1373 N SER A 88 18.080 19.335 13.266 1.00 0.00 N ATOM 1374 CA SER A 88 17.587 20.675 12.973 1.00 0.00 C ATOM 1375 C SER A 88 17.913 21.634 14.114 1.00 0.00 C ATOM 1376 O SER A 88 18.508 21.242 15.117 1.00 0.00 O ATOM 1377 CB SER A 88 16.077 20.645 12.734 1.00 0.00 C ATOM 1378 OG SER A 88 15.782 20.476 11.357 1.00 0.00 O ATOM 0 H SER A 88 18.212 19.142 14.259 1.00 0.00 H new ATOM 0 HA SER A 88 18.084 21.029 12.070 1.00 0.00 H new ATOM 0 HB2 SER A 88 15.631 19.832 13.307 1.00 0.00 H new ATOM 0 HB3 SER A 88 15.630 21.572 13.094 1.00 0.00 H new ATOM 0 HG SER A 88 16.443 19.876 10.952 1.00 0.00 H new ATOM 1384 N SER A 89 17.520 22.893 13.952 1.00 0.00 N ATOM 1385 CA SER A 89 17.771 23.910 14.967 1.00 0.00 C ATOM 1386 C SER A 89 16.558 24.083 15.874 1.00 0.00 C ATOM 1387 O SER A 89 15.666 24.882 15.589 1.00 0.00 O ATOM 1388 CB SER A 89 18.124 25.244 14.308 1.00 0.00 C ATOM 1389 OG SER A 89 19.077 25.066 13.274 1.00 0.00 O ATOM 0 H SER A 89 17.026 23.234 13.127 1.00 0.00 H new ATOM 0 HA SER A 89 18.613 23.580 15.575 1.00 0.00 H new ATOM 0 HB2 SER A 89 17.222 25.702 13.901 1.00 0.00 H new ATOM 0 HB3 SER A 89 18.519 25.930 15.057 1.00 0.00 H new ATOM 0 HG SER A 89 19.285 25.933 12.868 1.00 0.00 H new ATOM 1395 N GLY A 90 16.530 23.330 16.969 1.00 0.00 N ATOM 1396 CA GLY A 90 15.422 23.416 17.901 1.00 0.00 C ATOM 1397 C GLY A 90 15.110 22.084 18.555 1.00 0.00 C ATOM 1398 O GLY A 90 15.197 21.999 19.798 1.00 0.00 O ATOM 1399 OXT GLY A 90 14.777 21.128 17.825 1.00 0.00 O ATOM 0 H GLY A 90 17.256 22.661 17.227 1.00 0.00 H new ATOM 0 HA2 GLY A 90 15.656 24.150 18.672 1.00 0.00 H new ATOM 0 HA3 GLY A 90 14.537 23.776 17.376 1.00 0.00 H new TER 1403 GLY A 90