USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=15 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 166:sc= 0.0298 (180deg=0.0136) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.3) 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= -0.169 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -2.7 X(o=-2.7,f=-3!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -3.38! C(o=-3.4!,f=-2.4!) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0161 USER MOD Single : A 38 THR OG1 : rot -150:sc= -2.98! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -139:sc=-0.00436 (180deg=-0.187) USER MOD Single : A 45 MET CE :methyl -161:sc= -0.055 (180deg=-0.877) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.952 K(o=-0.95,f=-3.4!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.123 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= -0.183 X(o=-0.18,f=-0.19) USER MOD Single : A 57 TYR OH : rot -92:sc= 1.2 USER MOD Single : A 59 GLN : amide:sc= 0.37 X(o=0.37,f=0) USER MOD Single : A 60 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0308) 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 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 130:sc= -2.16 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.641 12.247 -7.099 1.00 0.00 N ATOM 2 CA MET A 1 -1.590 12.903 -8.045 1.00 0.00 C ATOM 3 C MET A 1 -2.193 14.156 -7.404 1.00 0.00 C ATOM 4 O MET A 1 -3.047 14.074 -6.542 1.00 0.00 O ATOM 5 CB MET A 1 -2.677 11.856 -8.309 1.00 0.00 C ATOM 6 CG MET A 1 -2.499 11.264 -9.709 1.00 0.00 C ATOM 7 SD MET A 1 -1.231 9.975 -9.664 1.00 0.00 S ATOM 8 CE MET A 1 -1.579 9.257 -11.288 1.00 0.00 C ATOM 0 H1 MET A 1 -0.421 11.288 -7.437 1.00 0.00 H new ATOM 0 H2 MET A 1 0.235 12.804 -7.044 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.075 12.190 -6.156 1.00 0.00 H new ATOM 0 HA MET A 1 -1.101 13.222 -8.966 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.623 11.065 -7.561 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.663 12.312 -8.220 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.443 10.848 -10.062 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.213 12.046 -10.412 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.898 8.426 -11.472 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.607 8.896 -11.313 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.442 10.016 -12.058 1.00 0.00 H new ATOM 20 N LYS A 2 -1.754 15.319 -7.823 1.00 0.00 N ATOM 21 CA LYS A 2 -2.292 16.598 -7.252 1.00 0.00 C ATOM 22 C LYS A 2 -2.199 16.596 -5.721 1.00 0.00 C ATOM 23 O LYS A 2 -3.066 16.083 -5.039 1.00 0.00 O ATOM 24 CB LYS A 2 -3.755 16.660 -7.701 1.00 0.00 C ATOM 25 CG LYS A 2 -4.249 18.107 -7.636 1.00 0.00 C ATOM 26 CD LYS A 2 -4.688 18.433 -6.207 1.00 0.00 C ATOM 27 CE LYS A 2 -5.607 19.656 -6.221 1.00 0.00 C ATOM 28 NZ LYS A 2 -6.371 19.578 -4.946 1.00 0.00 N ATOM 0 H LYS A 2 -1.040 15.439 -8.542 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.723 17.461 -7.596 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.851 16.277 -8.717 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.370 16.026 -7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -3.457 18.787 -7.948 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.082 18.249 -8.325 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -5.208 17.580 -5.771 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -3.816 18.628 -5.583 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -5.033 20.581 -6.281 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -6.274 19.639 -7.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -7.024 20.385 -4.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -6.913 18.691 -4.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -5.710 19.604 -4.143 1.00 0.00 H new ATOM 42 N LYS A 3 -1.155 17.172 -5.182 1.00 0.00 N ATOM 43 CA LYS A 3 -0.996 17.214 -3.697 1.00 0.00 C ATOM 44 C LYS A 3 -0.263 18.493 -3.281 1.00 0.00 C ATOM 45 O LYS A 3 0.889 18.463 -2.890 1.00 0.00 O ATOM 46 CB LYS A 3 -0.175 15.968 -3.337 1.00 0.00 C ATOM 47 CG LYS A 3 1.176 15.995 -4.064 1.00 0.00 C ATOM 48 CD LYS A 3 1.682 14.563 -4.250 1.00 0.00 C ATOM 49 CE LYS A 3 2.292 14.062 -2.937 1.00 0.00 C ATOM 50 NZ LYS A 3 3.110 12.879 -3.319 1.00 0.00 N ATOM 0 H LYS A 3 -0.403 17.617 -5.709 1.00 0.00 H new ATOM 0 HA LYS A 3 -1.956 17.219 -3.181 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -0.016 15.928 -2.259 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.726 15.069 -3.612 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.070 16.484 -5.033 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.898 16.576 -3.491 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.862 13.913 -4.554 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.427 14.529 -5.045 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.906 14.831 -2.468 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.517 13.791 -2.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.561 12.480 -2.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.498 12.161 -3.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.844 13.168 -3.997 1.00 0.00 H new ATOM 64 N ASP A 4 -0.930 19.621 -3.360 1.00 0.00 N ATOM 65 CA ASP A 4 -0.295 20.925 -2.974 1.00 0.00 C ATOM 66 C ASP A 4 1.006 21.150 -3.764 1.00 0.00 C ATOM 67 O ASP A 4 1.443 20.276 -4.486 1.00 0.00 O ATOM 68 CB ASP A 4 -0.002 20.817 -1.469 1.00 0.00 C ATOM 69 CG ASP A 4 -1.028 21.637 -0.682 1.00 0.00 C ATOM 70 OD1 ASP A 4 -1.233 22.787 -1.033 1.00 0.00 O ATOM 71 OD2 ASP A 4 -1.589 21.100 0.259 1.00 0.00 O ATOM 0 H ASP A 4 -1.896 19.695 -3.678 1.00 0.00 H new ATOM 0 HA ASP A 4 -0.948 21.769 -3.196 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -0.039 19.774 -1.156 1.00 0.00 H new ATOM 0 HB3 ASP A 4 1.005 21.178 -1.258 1.00 0.00 H new ATOM 76 N PRO A 5 1.588 22.321 -3.611 1.00 0.00 N ATOM 77 CA PRO A 5 2.847 22.633 -4.334 1.00 0.00 C ATOM 78 C PRO A 5 4.021 21.872 -3.712 1.00 0.00 C ATOM 79 O PRO A 5 4.937 21.460 -4.400 1.00 0.00 O ATOM 80 CB PRO A 5 3.014 24.137 -4.140 1.00 0.00 C ATOM 81 CG PRO A 5 2.264 24.454 -2.887 1.00 0.00 C ATOM 82 CD PRO A 5 1.147 23.448 -2.771 1.00 0.00 C ATOM 0 HA PRO A 5 2.818 22.346 -5.385 1.00 0.00 H new ATOM 0 HB2 PRO A 5 4.066 24.408 -4.049 1.00 0.00 H new ATOM 0 HB3 PRO A 5 2.614 24.691 -4.989 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.922 24.400 -2.020 1.00 0.00 H new ATOM 0 HG3 PRO A 5 1.866 25.468 -2.922 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.995 23.139 -1.737 1.00 0.00 H new ATOM 0 HD3 PRO A 5 0.201 23.861 -3.122 1.00 0.00 H new ATOM 90 N ASN A 6 3.997 21.684 -2.417 1.00 0.00 N ATOM 91 CA ASN A 6 5.109 20.952 -1.740 1.00 0.00 C ATOM 92 C ASN A 6 4.623 20.343 -0.421 1.00 0.00 C ATOM 93 O ASN A 6 5.396 20.135 0.494 1.00 0.00 O ATOM 94 CB ASN A 6 6.180 22.012 -1.478 1.00 0.00 C ATOM 95 CG ASN A 6 7.049 22.178 -2.725 1.00 0.00 C ATOM 96 OD1 ASN A 6 7.131 23.253 -3.285 1.00 0.00 O ATOM 97 ND2 ASN A 6 7.710 21.151 -3.187 1.00 0.00 N ATOM 0 H ASN A 6 3.253 22.007 -1.798 1.00 0.00 H new ATOM 0 HA ASN A 6 5.488 20.129 -2.346 1.00 0.00 H new ATOM 0 HB2 ASN A 6 5.711 22.962 -1.219 1.00 0.00 H new ATOM 0 HB3 ASN A 6 6.797 21.719 -0.628 1.00 0.00 H new ATOM 0 HD21 ASN A 6 8.294 21.252 -4.017 1.00 0.00 H new ATOM 0 HD22 ASN A 6 7.642 20.248 -2.718 1.00 0.00 H new ATOM 104 N ALA A 7 3.348 20.054 -0.320 1.00 0.00 N ATOM 105 CA ALA A 7 2.811 19.455 0.938 1.00 0.00 C ATOM 106 C ALA A 7 2.574 17.950 0.744 1.00 0.00 C ATOM 107 O ALA A 7 2.244 17.520 -0.343 1.00 0.00 O ATOM 108 CB ALA A 7 1.487 20.178 1.193 1.00 0.00 C ATOM 0 H ALA A 7 2.658 20.208 -1.055 1.00 0.00 H new ATOM 0 HA ALA A 7 3.500 19.566 1.775 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.031 19.791 2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.672 21.246 1.305 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.814 20.012 0.352 1.00 0.00 H new ATOM 114 N PRO A 8 2.745 17.186 1.803 1.00 0.00 N ATOM 115 CA PRO A 8 2.539 15.732 1.719 1.00 0.00 C ATOM 116 C PRO A 8 1.068 15.358 1.913 1.00 0.00 C ATOM 117 O PRO A 8 0.489 15.591 2.956 1.00 0.00 O ATOM 118 CB PRO A 8 3.405 15.175 2.827 1.00 0.00 C ATOM 119 CG PRO A 8 3.609 16.292 3.788 1.00 0.00 C ATOM 120 CD PRO A 8 3.135 17.579 3.155 1.00 0.00 C ATOM 0 HA PRO A 8 2.805 15.331 0.741 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.921 14.327 3.311 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.358 14.818 2.436 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.059 16.101 4.709 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.663 16.370 4.056 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.296 18.008 3.703 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.924 18.331 3.140 1.00 0.00 H new ATOM 128 N LYS A 9 0.465 14.771 0.910 1.00 0.00 N ATOM 129 CA LYS A 9 -0.968 14.365 1.017 1.00 0.00 C ATOM 130 C LYS A 9 -1.069 12.976 1.638 1.00 0.00 C ATOM 131 O LYS A 9 -0.102 12.454 2.159 1.00 0.00 O ATOM 132 CB LYS A 9 -1.486 14.348 -0.418 1.00 0.00 C ATOM 133 CG LYS A 9 -2.006 15.737 -0.790 1.00 0.00 C ATOM 134 CD LYS A 9 -3.261 16.048 0.029 1.00 0.00 C ATOM 135 CE LYS A 9 -4.065 17.148 -0.667 1.00 0.00 C ATOM 136 NZ LYS A 9 -5.107 17.545 0.321 1.00 0.00 N ATOM 0 H LYS A 9 0.907 14.555 0.017 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.545 15.042 1.647 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.689 14.052 -1.100 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.282 13.611 -0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.239 16.487 -0.599 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.234 15.778 -1.855 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.870 15.150 0.136 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.983 16.366 1.034 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.430 17.993 -0.933 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.515 16.784 -1.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.700 18.297 -0.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.700 16.722 0.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.649 17.893 1.187 1.00 0.00 H new ATOM 150 N ARG A 10 -2.243 12.390 1.601 1.00 0.00 N ATOM 151 CA ARG A 10 -2.468 11.023 2.196 1.00 0.00 C ATOM 152 C ARG A 10 -1.273 10.072 1.942 1.00 0.00 C ATOM 153 O ARG A 10 -0.727 10.060 0.858 1.00 0.00 O ATOM 154 CB ARG A 10 -3.726 10.496 1.494 1.00 0.00 C ATOM 155 CG ARG A 10 -3.491 10.428 -0.019 1.00 0.00 C ATOM 156 CD ARG A 10 -4.769 9.954 -0.713 1.00 0.00 C ATOM 157 NE ARG A 10 -4.300 9.220 -1.922 1.00 0.00 N ATOM 158 CZ ARG A 10 -4.909 9.386 -3.064 1.00 0.00 C ATOM 159 NH1 ARG A 10 -6.172 9.077 -3.181 1.00 0.00 N ATOM 160 NH2 ARG A 10 -4.257 9.863 -4.088 1.00 0.00 N ATOM 0 H ARG A 10 -3.072 12.805 1.177 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.576 11.078 3.279 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.979 9.507 1.876 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.573 11.147 1.710 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.201 11.408 -0.397 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -2.670 9.746 -0.240 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.356 9.307 -0.061 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.406 10.795 -0.984 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.502 8.587 -1.857 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -6.683 8.706 -2.380 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.648 9.207 -4.074 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.271 10.106 -3.996 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.733 9.993 -4.981 1.00 0.00 H new ATOM 174 N PRO A 11 -0.890 9.320 2.954 1.00 0.00 N ATOM 175 CA PRO A 11 0.262 8.397 2.807 1.00 0.00 C ATOM 176 C PRO A 11 -0.105 7.184 1.938 1.00 0.00 C ATOM 177 O PRO A 11 -1.267 6.852 1.805 1.00 0.00 O ATOM 178 CB PRO A 11 0.566 7.964 4.237 1.00 0.00 C ATOM 179 CG PRO A 11 -0.721 8.133 4.977 1.00 0.00 C ATOM 180 CD PRO A 11 -1.474 9.250 4.307 1.00 0.00 C ATOM 0 HA PRO A 11 1.113 8.868 2.315 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.908 6.929 4.271 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.355 8.575 4.675 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.301 7.211 4.956 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.535 8.368 6.025 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.543 9.043 4.269 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -1.351 10.191 4.843 1.00 0.00 H new ATOM 188 N PRO A 12 0.904 6.551 1.374 1.00 0.00 N ATOM 189 CA PRO A 12 0.666 5.361 0.516 1.00 0.00 C ATOM 190 C PRO A 12 0.273 4.147 1.359 1.00 0.00 C ATOM 191 O PRO A 12 0.513 4.097 2.550 1.00 0.00 O ATOM 192 CB PRO A 12 2.018 5.119 -0.150 1.00 0.00 C ATOM 193 CG PRO A 12 3.020 5.728 0.771 1.00 0.00 C ATOM 194 CD PRO A 12 2.339 6.873 1.471 1.00 0.00 C ATOM 0 HA PRO A 12 -0.145 5.517 -0.196 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.205 4.054 -0.287 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.059 5.579 -1.137 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.377 4.993 1.492 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.890 6.079 0.216 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.660 6.953 2.509 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.567 7.825 0.992 1.00 0.00 H new ATOM 202 N SER A 13 -0.313 3.162 0.733 1.00 0.00 N ATOM 203 CA SER A 13 -0.714 1.926 1.464 1.00 0.00 C ATOM 204 C SER A 13 -0.094 0.715 0.767 1.00 0.00 C ATOM 205 O SER A 13 0.287 0.791 -0.385 1.00 0.00 O ATOM 206 CB SER A 13 -2.239 1.883 1.372 1.00 0.00 C ATOM 207 OG SER A 13 -2.741 0.957 2.325 1.00 0.00 O ATOM 0 H SER A 13 -0.533 3.161 -0.263 1.00 0.00 H new ATOM 0 HA SER A 13 -0.381 1.917 2.502 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.654 2.874 1.557 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.546 1.591 0.368 1.00 0.00 H new ATOM 0 HG SER A 13 -3.719 0.928 2.270 1.00 0.00 H new ATOM 213 N ALA A 14 0.011 -0.399 1.446 1.00 0.00 N ATOM 214 CA ALA A 14 0.612 -1.610 0.803 1.00 0.00 C ATOM 215 C ALA A 14 -0.214 -2.020 -0.419 1.00 0.00 C ATOM 216 O ALA A 14 0.314 -2.173 -1.505 1.00 0.00 O ATOM 217 CB ALA A 14 0.579 -2.700 1.868 1.00 0.00 C ATOM 0 H ALA A 14 -0.291 -0.524 2.412 1.00 0.00 H new ATOM 0 HA ALA A 14 1.628 -1.426 0.455 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.006 -3.618 1.463 1.00 0.00 H new ATOM 0 HB2 ALA A 14 1.160 -2.381 2.733 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.452 -2.882 2.170 1.00 0.00 H new ATOM 223 N PHE A 15 -1.505 -2.196 -0.259 1.00 0.00 N ATOM 224 CA PHE A 15 -2.357 -2.587 -1.427 1.00 0.00 C ATOM 225 C PHE A 15 -2.253 -1.519 -2.521 1.00 0.00 C ATOM 226 O PHE A 15 -2.223 -1.828 -3.697 1.00 0.00 O ATOM 227 CB PHE A 15 -3.791 -2.674 -0.887 1.00 0.00 C ATOM 228 CG PHE A 15 -4.735 -3.047 -2.011 1.00 0.00 C ATOM 229 CD1 PHE A 15 -4.489 -4.191 -2.780 1.00 0.00 C ATOM 230 CD2 PHE A 15 -5.845 -2.242 -2.290 1.00 0.00 C ATOM 231 CE1 PHE A 15 -5.355 -4.530 -3.829 1.00 0.00 C ATOM 232 CE2 PHE A 15 -6.712 -2.582 -3.336 1.00 0.00 C ATOM 233 CZ PHE A 15 -6.466 -3.725 -4.106 1.00 0.00 C ATOM 0 H PHE A 15 -2.003 -2.086 0.625 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.044 -3.534 -1.866 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -3.846 -3.416 -0.091 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -4.086 -1.719 -0.453 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.632 -4.812 -2.565 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.033 -1.358 -1.699 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -5.165 -5.412 -4.423 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.571 -1.962 -3.549 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.134 -3.986 -4.914 1.00 0.00 H new ATOM 243 N PHE A 16 -2.190 -0.266 -2.137 1.00 0.00 N ATOM 244 CA PHE A 16 -2.076 0.822 -3.153 1.00 0.00 C ATOM 245 C PHE A 16 -0.776 0.648 -3.931 1.00 0.00 C ATOM 246 O PHE A 16 -0.716 0.906 -5.118 1.00 0.00 O ATOM 247 CB PHE A 16 -2.070 2.131 -2.362 1.00 0.00 C ATOM 248 CG PHE A 16 -2.425 3.276 -3.279 1.00 0.00 C ATOM 249 CD1 PHE A 16 -3.759 3.494 -3.642 1.00 0.00 C ATOM 250 CD2 PHE A 16 -1.420 4.120 -3.767 1.00 0.00 C ATOM 251 CE1 PHE A 16 -4.089 4.556 -4.494 1.00 0.00 C ATOM 252 CE2 PHE A 16 -1.750 5.181 -4.618 1.00 0.00 C ATOM 253 CZ PHE A 16 -3.084 5.400 -4.981 1.00 0.00 C ATOM 0 H PHE A 16 -2.213 0.047 -1.166 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.894 0.808 -3.874 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.784 2.075 -1.540 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.087 2.296 -1.920 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.534 2.843 -3.265 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -0.391 3.952 -3.487 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.118 4.723 -4.775 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.975 5.831 -4.995 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.338 6.220 -5.637 1.00 0.00 H new ATOM 263 N LEU A 17 0.254 0.170 -3.278 1.00 0.00 N ATOM 264 CA LEU A 17 1.544 -0.071 -3.990 1.00 0.00 C ATOM 265 C LEU A 17 1.299 -1.177 -5.018 1.00 0.00 C ATOM 266 O LEU A 17 1.217 -0.915 -6.200 1.00 0.00 O ATOM 267 CB LEU A 17 2.531 -0.507 -2.900 1.00 0.00 C ATOM 268 CG LEU A 17 3.486 0.650 -2.562 1.00 0.00 C ATOM 269 CD1 LEU A 17 2.694 1.911 -2.179 1.00 0.00 C ATOM 270 CD2 LEU A 17 4.380 0.243 -1.390 1.00 0.00 C ATOM 0 H LEU A 17 0.256 -0.063 -2.285 1.00 0.00 H new ATOM 0 HA LEU A 17 1.935 0.798 -4.520 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.987 -0.813 -2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.101 -1.372 -3.239 1.00 0.00 H new ATOM 0 HG LEU A 17 4.094 0.869 -3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.387 2.718 -1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.059 2.210 -3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.073 1.700 -1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.058 1.061 -1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.761 0.016 -0.522 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.959 -0.639 -1.663 1.00 0.00 H new ATOM 282 N PHE A 18 1.179 -2.409 -4.557 1.00 0.00 N ATOM 283 CA PHE A 18 0.916 -3.583 -5.474 1.00 0.00 C ATOM 284 C PHE A 18 -0.018 -3.171 -6.637 1.00 0.00 C ATOM 285 O PHE A 18 0.295 -3.388 -7.792 1.00 0.00 O ATOM 286 CB PHE A 18 0.255 -4.640 -4.569 1.00 0.00 C ATOM 287 CG PHE A 18 -0.269 -5.803 -5.389 1.00 0.00 C ATOM 288 CD1 PHE A 18 0.596 -6.829 -5.790 1.00 0.00 C ATOM 289 CD2 PHE A 18 -1.623 -5.852 -5.743 1.00 0.00 C ATOM 290 CE1 PHE A 18 0.106 -7.903 -6.544 1.00 0.00 C ATOM 291 CE2 PHE A 18 -2.112 -6.925 -6.497 1.00 0.00 C ATOM 292 CZ PHE A 18 -1.249 -7.950 -6.898 1.00 0.00 C ATOM 0 H PHE A 18 1.253 -2.656 -3.570 1.00 0.00 H new ATOM 0 HA PHE A 18 1.825 -3.960 -5.942 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.978 -5.002 -3.838 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.563 -4.186 -4.010 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.641 -6.792 -5.518 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.290 -5.061 -5.434 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.773 -8.695 -6.852 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.156 -6.962 -6.769 1.00 0.00 H new ATOM 0 HZ PHE A 18 -1.627 -8.777 -7.480 1.00 0.00 H new ATOM 302 N CYS A 19 -1.155 -2.585 -6.342 1.00 0.00 N ATOM 303 CA CYS A 19 -2.079 -2.167 -7.439 1.00 0.00 C ATOM 304 C CYS A 19 -1.439 -1.053 -8.274 1.00 0.00 C ATOM 305 O CYS A 19 -1.506 -1.065 -9.487 1.00 0.00 O ATOM 306 CB CYS A 19 -3.346 -1.665 -6.734 1.00 0.00 C ATOM 307 SG CYS A 19 -4.579 -1.151 -7.960 1.00 0.00 S ATOM 0 H CYS A 19 -1.479 -2.380 -5.397 1.00 0.00 H new ATOM 0 HA CYS A 19 -2.301 -2.985 -8.124 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.756 -2.453 -6.102 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -3.101 -0.828 -6.081 1.00 0.00 H new ATOM 0 HG CYS A 19 -5.647 -0.730 -7.351 1.00 0.00 H new ATOM 313 N SER A 20 -0.827 -0.086 -7.633 1.00 0.00 N ATOM 314 CA SER A 20 -0.189 1.040 -8.391 1.00 0.00 C ATOM 315 C SER A 20 0.795 0.508 -9.442 1.00 0.00 C ATOM 316 O SER A 20 1.007 1.131 -10.465 1.00 0.00 O ATOM 317 CB SER A 20 0.547 1.878 -7.346 1.00 0.00 C ATOM 318 OG SER A 20 1.346 2.852 -8.005 1.00 0.00 O ATOM 0 H SER A 20 -0.741 -0.027 -6.618 1.00 0.00 H new ATOM 0 HA SER A 20 -0.934 1.626 -8.930 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.169 2.365 -6.684 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.172 1.238 -6.724 1.00 0.00 H new ATOM 0 HG SER A 20 1.819 3.393 -7.338 1.00 0.00 H new ATOM 324 N GLU A 21 1.398 -0.633 -9.199 1.00 0.00 N ATOM 325 CA GLU A 21 2.366 -1.185 -10.195 1.00 0.00 C ATOM 326 C GLU A 21 1.671 -2.165 -11.147 1.00 0.00 C ATOM 327 O GLU A 21 2.134 -2.383 -12.252 1.00 0.00 O ATOM 328 CB GLU A 21 3.464 -1.878 -9.380 1.00 0.00 C ATOM 329 CG GLU A 21 2.869 -3.005 -8.536 1.00 0.00 C ATOM 330 CD GLU A 21 3.983 -3.951 -8.080 1.00 0.00 C ATOM 331 OE1 GLU A 21 5.093 -3.482 -7.887 1.00 0.00 O ATOM 332 OE2 GLU A 21 3.706 -5.130 -7.930 1.00 0.00 O ATOM 0 H GLU A 21 1.262 -1.199 -8.362 1.00 0.00 H new ATOM 0 HA GLU A 21 2.785 -0.399 -10.823 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.225 -2.279 -10.050 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.959 -1.153 -8.734 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.353 -2.590 -7.670 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.127 -3.554 -9.116 1.00 0.00 H new ATOM 339 N HIS A 22 0.561 -2.749 -10.750 1.00 0.00 N ATOM 340 CA HIS A 22 -0.154 -3.699 -11.660 1.00 0.00 C ATOM 341 C HIS A 22 -1.401 -3.033 -12.259 1.00 0.00 C ATOM 342 O HIS A 22 -2.293 -3.705 -12.743 1.00 0.00 O ATOM 343 CB HIS A 22 -0.582 -4.865 -10.767 1.00 0.00 C ATOM 344 CG HIS A 22 0.613 -5.687 -10.380 1.00 0.00 C ATOM 345 ND1 HIS A 22 1.350 -6.409 -11.305 1.00 0.00 N ATOM 346 CD2 HIS A 22 1.199 -5.926 -9.164 1.00 0.00 C ATOM 347 CE1 HIS A 22 2.327 -7.046 -10.635 1.00 0.00 C ATOM 348 NE2 HIS A 22 2.282 -6.784 -9.325 1.00 0.00 N ATOM 0 H HIS A 22 0.123 -2.608 -9.840 1.00 0.00 H new ATOM 0 HA HIS A 22 0.481 -4.015 -12.488 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -1.076 -4.485 -9.873 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -1.306 -5.488 -11.292 1.00 0.00 H new ATOM 0 HD2 HIS A 22 0.870 -5.511 -8.223 1.00 0.00 H new ATOM 0 HE1 HIS A 22 3.059 -7.691 -11.099 1.00 0.00 H new ATOM 0 HE2 HIS A 22 2.907 -7.137 -8.600 1.00 0.00 H new ATOM 356 N ARG A 23 -1.474 -1.725 -12.227 1.00 0.00 N ATOM 357 CA ARG A 23 -2.665 -1.024 -12.790 1.00 0.00 C ATOM 358 C ARG A 23 -2.543 -0.837 -14.317 1.00 0.00 C ATOM 359 O ARG A 23 -3.503 -1.076 -15.024 1.00 0.00 O ATOM 360 CB ARG A 23 -2.727 0.325 -12.066 1.00 0.00 C ATOM 361 CG ARG A 23 -4.102 0.959 -12.289 1.00 0.00 C ATOM 362 CD ARG A 23 -4.025 2.461 -12.006 1.00 0.00 C ATOM 363 NE ARG A 23 -3.702 2.563 -10.556 1.00 0.00 N ATOM 364 CZ ARG A 23 -4.305 3.451 -9.814 1.00 0.00 C ATOM 365 NH1 ARG A 23 -4.056 4.720 -9.985 1.00 0.00 N ATOM 366 NH2 ARG A 23 -5.158 3.070 -8.902 1.00 0.00 N ATOM 0 H ARG A 23 -0.758 -1.114 -11.834 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.576 -1.603 -12.638 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.547 0.187 -11.000 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.945 0.986 -12.438 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.431 0.788 -13.314 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -4.839 0.493 -11.636 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.258 2.939 -12.616 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.969 2.955 -12.236 1.00 0.00 H new ATOM 0 HE ARG A 23 -3.009 1.939 -10.143 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.390 5.018 -10.698 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.527 5.415 -9.405 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -5.353 2.078 -8.769 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -5.629 3.765 -8.322 1.00 0.00 H new ATOM 380 N PRO A 24 -1.383 -0.421 -14.800 1.00 0.00 N ATOM 381 CA PRO A 24 -1.223 -0.233 -16.264 1.00 0.00 C ATOM 382 C PRO A 24 -1.062 -1.585 -16.980 1.00 0.00 C ATOM 383 O PRO A 24 -1.019 -1.642 -18.195 1.00 0.00 O ATOM 384 CB PRO A 24 0.047 0.600 -16.389 1.00 0.00 C ATOM 385 CG PRO A 24 0.833 0.315 -15.150 1.00 0.00 C ATOM 386 CD PRO A 24 -0.142 -0.094 -14.074 1.00 0.00 C ATOM 0 HA PRO A 24 -2.089 0.246 -16.721 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.609 0.327 -17.282 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.186 1.662 -16.471 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.558 -0.478 -15.331 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.395 1.197 -14.842 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.226 -0.952 -13.511 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.303 0.712 -13.358 1.00 0.00 H new ATOM 394 N LYS A 25 -0.977 -2.670 -16.244 1.00 0.00 N ATOM 395 CA LYS A 25 -0.824 -4.008 -16.889 1.00 0.00 C ATOM 396 C LYS A 25 -2.200 -4.613 -17.177 1.00 0.00 C ATOM 397 O LYS A 25 -2.410 -5.243 -18.197 1.00 0.00 O ATOM 398 CB LYS A 25 -0.067 -4.856 -15.867 1.00 0.00 C ATOM 399 CG LYS A 25 0.463 -6.122 -16.543 1.00 0.00 C ATOM 400 CD LYS A 25 1.583 -6.725 -15.692 1.00 0.00 C ATOM 401 CE LYS A 25 2.187 -7.929 -16.419 1.00 0.00 C ATOM 402 NZ LYS A 25 3.568 -8.052 -15.877 1.00 0.00 N ATOM 0 H LYS A 25 -1.007 -2.683 -15.225 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.296 -3.952 -17.841 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.759 -4.284 -15.445 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.726 -5.122 -15.040 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.343 -6.845 -16.667 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.836 -5.886 -17.540 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.353 -5.977 -15.503 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.192 -7.032 -14.722 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.608 -8.834 -16.233 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.199 -7.774 -17.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.047 -8.857 -16.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.097 -7.179 -16.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.525 -8.206 -14.849 1.00 0.00 H new ATOM 416 N ILE A 26 -3.138 -4.419 -16.285 1.00 0.00 N ATOM 417 CA ILE A 26 -4.511 -4.974 -16.500 1.00 0.00 C ATOM 418 C ILE A 26 -5.238 -4.188 -17.599 1.00 0.00 C ATOM 419 O ILE A 26 -6.191 -4.666 -18.178 1.00 0.00 O ATOM 420 CB ILE A 26 -5.226 -4.818 -15.151 1.00 0.00 C ATOM 421 CG1 ILE A 26 -4.467 -5.608 -14.070 1.00 0.00 C ATOM 422 CG2 ILE A 26 -6.664 -5.342 -15.257 1.00 0.00 C ATOM 423 CD1 ILE A 26 -4.422 -7.099 -14.427 1.00 0.00 C ATOM 0 H ILE A 26 -3.013 -3.900 -15.416 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.488 -6.015 -16.824 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.250 -3.763 -14.880 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.453 -5.220 -13.973 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.954 -5.474 -13.104 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.165 -5.228 -14.296 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.203 -4.775 -16.016 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.648 -6.396 -15.535 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.882 -7.643 -13.652 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.438 -7.486 -14.501 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.914 -7.229 -15.383 1.00 0.00 H new ATOM 435 N LYS A 27 -4.786 -2.995 -17.902 1.00 0.00 N ATOM 436 CA LYS A 27 -5.442 -2.188 -18.976 1.00 0.00 C ATOM 437 C LYS A 27 -4.944 -2.625 -20.363 1.00 0.00 C ATOM 438 O LYS A 27 -5.537 -2.289 -21.372 1.00 0.00 O ATOM 439 CB LYS A 27 -5.030 -0.742 -18.690 1.00 0.00 C ATOM 440 CG LYS A 27 -5.839 -0.206 -17.507 1.00 0.00 C ATOM 441 CD LYS A 27 -5.537 1.281 -17.313 1.00 0.00 C ATOM 442 CE LYS A 27 -6.496 2.112 -18.168 1.00 0.00 C ATOM 443 NZ LYS A 27 -6.564 3.436 -17.489 1.00 0.00 N ATOM 0 H LYS A 27 -3.990 -2.545 -17.450 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.525 -2.315 -18.979 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.964 -0.694 -18.467 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.200 -0.123 -19.571 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.904 -0.351 -17.686 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.590 -0.760 -16.602 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.643 1.551 -16.262 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.505 1.493 -17.594 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.130 2.210 -19.190 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.480 1.646 -18.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.204 4.064 -18.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.922 3.311 -16.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.614 3.858 -17.456 1.00 0.00 H new ATOM 457 N SER A 28 -3.864 -3.373 -20.425 1.00 0.00 N ATOM 458 CA SER A 28 -3.338 -3.829 -21.749 1.00 0.00 C ATOM 459 C SER A 28 -4.197 -4.977 -22.289 1.00 0.00 C ATOM 460 O SER A 28 -4.649 -4.945 -23.417 1.00 0.00 O ATOM 461 CB SER A 28 -1.913 -4.308 -21.471 1.00 0.00 C ATOM 462 OG SER A 28 -1.158 -3.239 -20.917 1.00 0.00 O ATOM 0 H SER A 28 -3.327 -3.685 -19.616 1.00 0.00 H new ATOM 0 HA SER A 28 -3.359 -3.036 -22.497 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.929 -5.153 -20.782 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.448 -4.657 -22.393 1.00 0.00 H new ATOM 0 HG SER A 28 -0.244 -3.543 -20.736 1.00 0.00 H new ATOM 468 N GLU A 29 -4.428 -5.985 -21.485 1.00 0.00 N ATOM 469 CA GLU A 29 -5.265 -7.138 -21.941 1.00 0.00 C ATOM 470 C GLU A 29 -6.759 -6.865 -21.689 1.00 0.00 C ATOM 471 O GLU A 29 -7.589 -7.738 -21.862 1.00 0.00 O ATOM 472 CB GLU A 29 -4.790 -8.325 -21.101 1.00 0.00 C ATOM 473 CG GLU A 29 -3.348 -8.671 -21.476 1.00 0.00 C ATOM 474 CD GLU A 29 -3.340 -9.504 -22.759 1.00 0.00 C ATOM 475 OE1 GLU A 29 -3.492 -8.923 -23.821 1.00 0.00 O ATOM 476 OE2 GLU A 29 -3.182 -10.710 -22.658 1.00 0.00 O ATOM 0 H GLU A 29 -4.073 -6.059 -20.532 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.159 -7.319 -23.011 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.853 -8.082 -20.040 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.437 -9.186 -21.270 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.769 -7.758 -21.619 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.874 -9.226 -20.667 1.00 0.00 H new ATOM 483 N HIS A 30 -7.108 -5.660 -21.300 1.00 0.00 N ATOM 484 CA HIS A 30 -8.544 -5.323 -21.058 1.00 0.00 C ATOM 485 C HIS A 30 -8.761 -3.825 -21.314 1.00 0.00 C ATOM 486 O HIS A 30 -8.776 -3.039 -20.390 1.00 0.00 O ATOM 487 CB HIS A 30 -8.833 -5.656 -19.588 1.00 0.00 C ATOM 488 CG HIS A 30 -8.542 -7.104 -19.310 1.00 0.00 C ATOM 489 ND1 HIS A 30 -9.518 -8.086 -19.385 1.00 0.00 N ATOM 490 CD2 HIS A 30 -7.390 -7.749 -18.938 1.00 0.00 C ATOM 491 CE1 HIS A 30 -8.940 -9.258 -19.065 1.00 0.00 C ATOM 492 NE2 HIS A 30 -7.643 -9.109 -18.783 1.00 0.00 N ATOM 0 H HIS A 30 -6.454 -4.893 -21.140 1.00 0.00 H new ATOM 0 HA HIS A 30 -9.206 -5.883 -21.718 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.224 -5.026 -18.940 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -9.876 -5.438 -19.358 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.432 -7.274 -18.788 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -9.461 -10.204 -19.039 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.980 -9.836 -18.512 1.00 0.00 H new ATOM 500 N PRO A 31 -8.919 -3.469 -22.567 1.00 0.00 N ATOM 501 CA PRO A 31 -9.135 -2.044 -22.921 1.00 0.00 C ATOM 502 C PRO A 31 -10.484 -1.566 -22.377 1.00 0.00 C ATOM 503 O PRO A 31 -11.517 -2.140 -22.667 1.00 0.00 O ATOM 504 CB PRO A 31 -9.120 -2.047 -24.450 1.00 0.00 C ATOM 505 CG PRO A 31 -9.494 -3.444 -24.827 1.00 0.00 C ATOM 506 CD PRO A 31 -8.919 -4.332 -23.758 1.00 0.00 C ATOM 0 HA PRO A 31 -8.386 -1.373 -22.502 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.828 -1.324 -24.855 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.136 -1.781 -24.837 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.577 -3.555 -24.886 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.093 -3.704 -25.807 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.525 -5.225 -23.608 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.914 -4.668 -24.012 1.00 0.00 H new ATOM 514 N GLY A 32 -10.477 -0.528 -21.581 1.00 0.00 N ATOM 515 CA GLY A 32 -11.752 -0.013 -21.001 1.00 0.00 C ATOM 516 C GLY A 32 -11.896 -0.505 -19.554 1.00 0.00 C ATOM 517 O GLY A 32 -12.632 0.063 -18.771 1.00 0.00 O ATOM 0 H GLY A 32 -9.640 -0.014 -21.307 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.761 1.077 -21.028 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -12.598 -0.354 -21.597 1.00 0.00 H new ATOM 521 N LEU A 33 -11.202 -1.563 -19.196 1.00 0.00 N ATOM 522 CA LEU A 33 -11.296 -2.108 -17.799 1.00 0.00 C ATOM 523 C LEU A 33 -11.079 -1.000 -16.759 1.00 0.00 C ATOM 524 O LEU A 33 -9.962 -0.611 -16.474 1.00 0.00 O ATOM 525 CB LEU A 33 -10.176 -3.153 -17.710 1.00 0.00 C ATOM 526 CG LEU A 33 -10.512 -4.230 -16.669 1.00 0.00 C ATOM 527 CD1 LEU A 33 -10.662 -3.590 -15.289 1.00 0.00 C ATOM 528 CD2 LEU A 33 -11.815 -4.940 -17.050 1.00 0.00 C ATOM 0 H LEU A 33 -10.572 -2.075 -19.814 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.279 -2.533 -17.595 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.029 -3.618 -18.685 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.238 -2.665 -17.444 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.702 -4.959 -16.642 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.900 -4.360 -14.555 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.728 -3.101 -15.011 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.464 -2.853 -15.315 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.045 -5.702 -16.306 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.627 -4.214 -17.089 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.701 -5.410 -18.027 1.00 0.00 H new ATOM 540 N SER A 34 -12.148 -0.493 -16.200 1.00 0.00 N ATOM 541 CA SER A 34 -12.032 0.595 -15.176 1.00 0.00 C ATOM 542 C SER A 34 -11.133 0.152 -14.016 1.00 0.00 C ATOM 543 O SER A 34 -10.506 -0.891 -14.071 1.00 0.00 O ATOM 544 CB SER A 34 -13.461 0.833 -14.682 1.00 0.00 C ATOM 545 OG SER A 34 -14.079 -0.418 -14.414 1.00 0.00 O ATOM 0 H SER A 34 -13.102 -0.786 -16.409 1.00 0.00 H new ATOM 0 HA SER A 34 -11.586 1.498 -15.592 1.00 0.00 H new ATOM 0 HB2 SER A 34 -13.449 1.446 -13.781 1.00 0.00 H new ATOM 0 HB3 SER A 34 -14.031 1.380 -15.433 1.00 0.00 H new ATOM 0 HG SER A 34 -14.994 -0.269 -14.096 1.00 0.00 H new ATOM 551 N ILE A 35 -11.065 0.937 -12.971 1.00 0.00 N ATOM 552 CA ILE A 35 -10.203 0.567 -11.805 1.00 0.00 C ATOM 553 C ILE A 35 -10.999 -0.255 -10.778 1.00 0.00 C ATOM 554 O ILE A 35 -10.579 -0.417 -9.647 1.00 0.00 O ATOM 555 CB ILE A 35 -9.756 1.905 -11.198 1.00 0.00 C ATOM 556 CG1 ILE A 35 -9.005 2.725 -12.254 1.00 0.00 C ATOM 557 CG2 ILE A 35 -8.828 1.647 -10.009 1.00 0.00 C ATOM 558 CD1 ILE A 35 -9.977 3.685 -12.943 1.00 0.00 C ATOM 0 H ILE A 35 -11.569 1.819 -12.874 1.00 0.00 H new ATOM 0 HA ILE A 35 -9.356 -0.049 -12.105 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.635 2.456 -10.863 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.195 3.285 -11.786 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.551 2.061 -12.989 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.513 2.598 -9.581 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.357 1.066 -9.253 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.952 1.092 -10.345 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.443 4.268 -13.693 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.772 3.115 -13.424 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.410 4.357 -12.203 1.00 0.00 H new ATOM 570 N GLY A 36 -12.139 -0.783 -11.159 1.00 0.00 N ATOM 571 CA GLY A 36 -12.948 -1.595 -10.204 1.00 0.00 C ATOM 572 C GLY A 36 -12.676 -3.081 -10.444 1.00 0.00 C ATOM 573 O GLY A 36 -12.349 -3.816 -9.532 1.00 0.00 O ATOM 0 H GLY A 36 -12.541 -0.685 -12.091 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.695 -1.329 -9.178 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.009 -1.382 -10.336 1.00 0.00 H new ATOM 577 N ASP A 37 -12.811 -3.524 -11.668 1.00 0.00 N ATOM 578 CA ASP A 37 -12.564 -4.965 -11.979 1.00 0.00 C ATOM 579 C ASP A 37 -11.090 -5.314 -11.756 1.00 0.00 C ATOM 580 O ASP A 37 -10.772 -6.319 -11.147 1.00 0.00 O ATOM 581 CB ASP A 37 -12.939 -5.131 -13.452 1.00 0.00 C ATOM 582 CG ASP A 37 -14.443 -5.388 -13.571 1.00 0.00 C ATOM 583 OD1 ASP A 37 -15.203 -4.482 -13.272 1.00 0.00 O ATOM 584 OD2 ASP A 37 -14.808 -6.486 -13.960 1.00 0.00 O ATOM 0 H ASP A 37 -13.082 -2.950 -12.466 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.146 -5.626 -11.337 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.667 -4.235 -14.010 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.382 -5.960 -13.889 1.00 0.00 H new ATOM 589 N THR A 38 -10.186 -4.492 -12.237 1.00 0.00 N ATOM 590 CA THR A 38 -8.733 -4.785 -12.041 1.00 0.00 C ATOM 591 C THR A 38 -8.382 -4.660 -10.555 1.00 0.00 C ATOM 592 O THR A 38 -7.527 -5.359 -10.051 1.00 0.00 O ATOM 593 CB THR A 38 -7.976 -3.752 -12.889 1.00 0.00 C ATOM 594 OG1 THR A 38 -6.580 -3.982 -12.769 1.00 0.00 O ATOM 595 CG2 THR A 38 -8.293 -2.331 -12.420 1.00 0.00 C ATOM 0 H THR A 38 -10.392 -3.637 -12.753 1.00 0.00 H new ATOM 0 HA THR A 38 -8.467 -5.797 -12.346 1.00 0.00 H new ATOM 0 HB THR A 38 -8.288 -3.856 -13.928 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.099 -3.134 -12.872 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.747 -1.615 -13.034 1.00 0.00 H new ATOM 0 HG22 THR A 38 -9.363 -2.147 -12.514 1.00 0.00 H new ATOM 0 HG23 THR A 38 -7.995 -2.217 -11.378 1.00 0.00 H new ATOM 603 N ALA A 39 -9.064 -3.793 -9.851 1.00 0.00 N ATOM 604 CA ALA A 39 -8.805 -3.631 -8.387 1.00 0.00 C ATOM 605 C ALA A 39 -9.389 -4.833 -7.638 1.00 0.00 C ATOM 606 O ALA A 39 -8.894 -5.236 -6.603 1.00 0.00 O ATOM 607 CB ALA A 39 -9.527 -2.343 -7.989 1.00 0.00 C ATOM 0 H ALA A 39 -9.793 -3.187 -10.228 1.00 0.00 H new ATOM 0 HA ALA A 39 -7.743 -3.579 -8.149 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.381 -2.158 -6.925 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.123 -1.508 -8.561 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -10.592 -2.444 -8.197 1.00 0.00 H new ATOM 613 N LYS A 40 -10.426 -5.417 -8.183 1.00 0.00 N ATOM 614 CA LYS A 40 -11.041 -6.612 -7.541 1.00 0.00 C ATOM 615 C LYS A 40 -10.116 -7.807 -7.758 1.00 0.00 C ATOM 616 O LYS A 40 -9.867 -8.590 -6.861 1.00 0.00 O ATOM 617 CB LYS A 40 -12.376 -6.816 -8.259 1.00 0.00 C ATOM 618 CG LYS A 40 -13.460 -5.987 -7.567 1.00 0.00 C ATOM 619 CD LYS A 40 -14.826 -6.632 -7.801 1.00 0.00 C ATOM 620 CE LYS A 40 -15.824 -6.102 -6.769 1.00 0.00 C ATOM 621 NZ LYS A 40 -17.010 -6.997 -6.886 1.00 0.00 N ATOM 0 H LYS A 40 -10.873 -5.114 -9.048 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.191 -6.495 -6.468 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.288 -6.519 -9.304 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.649 -7.871 -8.249 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -13.256 -5.922 -6.498 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -13.456 -4.968 -7.955 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -15.177 -6.411 -8.809 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -14.746 -7.716 -7.722 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -15.405 -6.131 -5.763 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -16.090 -5.065 -6.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -17.740 -6.697 -6.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.391 -6.943 -7.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -16.728 -7.976 -6.679 1.00 0.00 H new ATOM 635 N LYS A 41 -9.598 -7.936 -8.953 1.00 0.00 N ATOM 636 CA LYS A 41 -8.671 -9.068 -9.254 1.00 0.00 C ATOM 637 C LYS A 41 -7.359 -8.879 -8.484 1.00 0.00 C ATOM 638 O LYS A 41 -6.902 -9.764 -7.789 1.00 0.00 O ATOM 639 CB LYS A 41 -8.425 -9.000 -10.762 1.00 0.00 C ATOM 640 CG LYS A 41 -9.634 -9.574 -11.503 1.00 0.00 C ATOM 641 CD LYS A 41 -9.285 -9.766 -12.980 1.00 0.00 C ATOM 642 CE LYS A 41 -8.561 -11.100 -13.166 1.00 0.00 C ATOM 643 NZ LYS A 41 -9.643 -12.123 -13.195 1.00 0.00 N ATOM 0 H LYS A 41 -9.778 -7.305 -9.734 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.084 -10.033 -8.960 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.255 -7.968 -11.067 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.527 -9.561 -11.020 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.926 -10.527 -11.061 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.487 -8.902 -11.404 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.192 -9.745 -13.584 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.654 -8.947 -13.325 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.983 -11.110 -14.090 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -7.862 -11.287 -12.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -9.345 -12.959 -12.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.507 -11.727 -12.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.834 -12.399 -14.179 1.00 0.00 H new ATOM 657 N LEU A 42 -6.751 -7.724 -8.610 1.00 0.00 N ATOM 658 CA LEU A 42 -5.460 -7.449 -7.893 1.00 0.00 C ATOM 659 C LEU A 42 -5.578 -7.780 -6.402 1.00 0.00 C ATOM 660 O LEU A 42 -4.766 -8.498 -5.854 1.00 0.00 O ATOM 661 CB LEU A 42 -5.224 -5.950 -8.076 1.00 0.00 C ATOM 662 CG LEU A 42 -4.233 -5.709 -9.217 1.00 0.00 C ATOM 663 CD1 LEU A 42 -4.795 -6.243 -10.537 1.00 0.00 C ATOM 664 CD2 LEU A 42 -3.993 -4.210 -9.350 1.00 0.00 C ATOM 0 H LEU A 42 -7.094 -6.953 -9.182 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.644 -8.056 -8.286 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.168 -5.449 -8.292 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.838 -5.519 -7.152 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.301 -6.228 -8.995 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.077 -6.063 -11.337 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.978 -7.314 -10.448 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.730 -5.733 -10.767 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.288 -4.025 -10.160 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.936 -3.708 -9.568 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.583 -3.823 -8.417 1.00 0.00 H new ATOM 676 N GLY A 43 -6.590 -7.264 -5.743 1.00 0.00 N ATOM 677 CA GLY A 43 -6.770 -7.549 -4.283 1.00 0.00 C ATOM 678 C GLY A 43 -6.783 -9.065 -4.053 1.00 0.00 C ATOM 679 O GLY A 43 -6.405 -9.544 -3.000 1.00 0.00 O ATOM 0 H GLY A 43 -7.299 -6.657 -6.154 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.963 -7.091 -3.711 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.702 -7.109 -3.928 1.00 0.00 H new ATOM 683 N GLU A 44 -7.183 -9.819 -5.049 1.00 0.00 N ATOM 684 CA GLU A 44 -7.185 -11.302 -4.907 1.00 0.00 C ATOM 685 C GLU A 44 -5.742 -11.796 -4.990 1.00 0.00 C ATOM 686 O GLU A 44 -5.352 -12.729 -4.314 1.00 0.00 O ATOM 687 CB GLU A 44 -8.007 -11.824 -6.089 1.00 0.00 C ATOM 688 CG GLU A 44 -8.439 -13.265 -5.812 1.00 0.00 C ATOM 689 CD GLU A 44 -9.275 -13.782 -6.986 1.00 0.00 C ATOM 690 OE1 GLU A 44 -8.760 -13.800 -8.092 1.00 0.00 O ATOM 691 OE2 GLU A 44 -10.416 -14.150 -6.758 1.00 0.00 O ATOM 0 H GLU A 44 -7.507 -9.469 -5.951 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.605 -11.642 -3.961 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.883 -11.194 -6.243 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.417 -11.779 -7.004 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.563 -13.898 -5.669 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.019 -13.311 -4.890 1.00 0.00 H new ATOM 698 N MET A 45 -4.945 -11.156 -5.809 1.00 0.00 N ATOM 699 CA MET A 45 -3.515 -11.557 -5.941 1.00 0.00 C ATOM 700 C MET A 45 -2.708 -10.954 -4.790 1.00 0.00 C ATOM 701 O MET A 45 -1.868 -11.607 -4.209 1.00 0.00 O ATOM 702 CB MET A 45 -3.056 -10.979 -7.282 1.00 0.00 C ATOM 703 CG MET A 45 -3.514 -11.895 -8.417 1.00 0.00 C ATOM 704 SD MET A 45 -2.611 -11.478 -9.930 1.00 0.00 S ATOM 705 CE MET A 45 -3.329 -9.835 -10.177 1.00 0.00 C ATOM 0 H MET A 45 -5.227 -10.369 -6.394 1.00 0.00 H new ATOM 0 HA MET A 45 -3.378 -12.638 -5.905 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.468 -9.979 -7.419 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.970 -10.881 -7.295 1.00 0.00 H new ATOM 0 HG2 MET A 45 -3.338 -12.937 -8.151 1.00 0.00 H new ATOM 0 HG3 MET A 45 -4.586 -11.784 -8.578 1.00 0.00 H new ATOM 0 HE1 MET A 45 -3.182 -9.525 -11.212 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.396 -9.867 -9.956 1.00 0.00 H new ATOM 0 HE3 MET A 45 -2.842 -9.122 -9.512 1.00 0.00 H new ATOM 715 N TRP A 46 -2.982 -9.716 -4.437 1.00 0.00 N ATOM 716 CA TRP A 46 -2.250 -9.057 -3.297 1.00 0.00 C ATOM 717 C TRP A 46 -2.320 -9.950 -2.052 1.00 0.00 C ATOM 718 O TRP A 46 -1.315 -10.257 -1.441 1.00 0.00 O ATOM 719 CB TRP A 46 -2.989 -7.724 -3.079 1.00 0.00 C ATOM 720 CG TRP A 46 -2.477 -7.038 -1.852 1.00 0.00 C ATOM 721 CD1 TRP A 46 -3.226 -6.678 -0.785 1.00 0.00 C ATOM 722 CD2 TRP A 46 -1.118 -6.630 -1.556 1.00 0.00 C ATOM 723 NE1 TRP A 46 -2.405 -6.071 0.150 1.00 0.00 N ATOM 724 CE2 TRP A 46 -1.095 -6.019 -0.283 1.00 0.00 C ATOM 725 CE3 TRP A 46 0.087 -6.732 -2.269 1.00 0.00 C ATOM 726 CZ2 TRP A 46 0.088 -5.525 0.265 1.00 0.00 C ATOM 727 CZ3 TRP A 46 1.279 -6.236 -1.722 1.00 0.00 C ATOM 728 CH2 TRP A 46 1.279 -5.635 -0.459 1.00 0.00 C ATOM 0 H TRP A 46 -3.683 -9.130 -4.890 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.192 -8.896 -3.503 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.853 -7.079 -3.947 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.059 -7.906 -2.982 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.289 -6.838 -0.680 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.728 -5.708 1.047 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.096 -7.195 -3.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 0.084 -5.061 1.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.201 -6.318 -2.278 1.00 0.00 H new ATOM 0 HH2 TRP A 46 2.200 -5.255 -0.042 1.00 0.00 H new ATOM 739 N SER A 47 -3.502 -10.381 -1.688 1.00 0.00 N ATOM 740 CA SER A 47 -3.646 -11.273 -0.496 1.00 0.00 C ATOM 741 C SER A 47 -2.949 -12.622 -0.743 1.00 0.00 C ATOM 742 O SER A 47 -2.803 -13.420 0.164 1.00 0.00 O ATOM 743 CB SER A 47 -5.152 -11.477 -0.326 1.00 0.00 C ATOM 744 OG SER A 47 -5.421 -11.898 1.006 1.00 0.00 O ATOM 0 H SER A 47 -4.374 -10.154 -2.165 1.00 0.00 H new ATOM 0 HA SER A 47 -3.189 -10.838 0.393 1.00 0.00 H new ATOM 0 HB2 SER A 47 -5.683 -10.550 -0.541 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.512 -12.222 -1.035 1.00 0.00 H new ATOM 0 HG SER A 47 -6.386 -12.028 1.119 1.00 0.00 H new ATOM 750 N GLU A 48 -2.503 -12.880 -1.954 1.00 0.00 N ATOM 751 CA GLU A 48 -1.807 -14.159 -2.249 1.00 0.00 C ATOM 752 C GLU A 48 -0.297 -13.932 -2.334 1.00 0.00 C ATOM 753 O GLU A 48 0.472 -14.872 -2.258 1.00 0.00 O ATOM 754 CB GLU A 48 -2.360 -14.599 -3.604 1.00 0.00 C ATOM 755 CG GLU A 48 -3.591 -15.482 -3.393 1.00 0.00 C ATOM 756 CD GLU A 48 -3.151 -16.865 -2.910 1.00 0.00 C ATOM 757 OE1 GLU A 48 -2.840 -17.693 -3.752 1.00 0.00 O ATOM 758 OE2 GLU A 48 -3.133 -17.074 -1.709 1.00 0.00 O ATOM 0 H GLU A 48 -2.597 -12.249 -2.750 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.970 -14.909 -1.475 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.624 -13.726 -4.201 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.598 -15.146 -4.159 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.258 -15.025 -2.662 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.151 -15.571 -4.324 1.00 0.00 H new ATOM 765 N GLN A 49 0.146 -12.699 -2.483 1.00 0.00 N ATOM 766 CA GLN A 49 1.616 -12.444 -2.561 1.00 0.00 C ATOM 767 C GLN A 49 2.284 -12.898 -1.265 1.00 0.00 C ATOM 768 O GLN A 49 1.740 -12.737 -0.190 1.00 0.00 O ATOM 769 CB GLN A 49 1.776 -10.921 -2.720 1.00 0.00 C ATOM 770 CG GLN A 49 1.101 -10.433 -4.008 1.00 0.00 C ATOM 771 CD GLN A 49 1.687 -11.156 -5.225 1.00 0.00 C ATOM 772 OE1 GLN A 49 2.854 -11.495 -5.242 1.00 0.00 O ATOM 773 NE2 GLN A 49 0.919 -11.406 -6.249 1.00 0.00 N ATOM 0 H GLN A 49 -0.445 -11.870 -2.553 1.00 0.00 H new ATOM 0 HA GLN A 49 2.075 -12.985 -3.389 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.339 -10.413 -1.860 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.835 -10.662 -2.739 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.027 -10.611 -3.953 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.240 -9.357 -4.114 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.060 -11.121 -6.234 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.298 -11.887 -7.065 1.00 0.00 H new ATOM 782 N SER A 50 3.460 -13.446 -1.361 1.00 0.00 N ATOM 783 CA SER A 50 4.182 -13.888 -0.136 1.00 0.00 C ATOM 784 C SER A 50 5.065 -12.722 0.358 1.00 0.00 C ATOM 785 O SER A 50 4.546 -11.686 0.733 1.00 0.00 O ATOM 786 CB SER A 50 4.993 -15.111 -0.581 1.00 0.00 C ATOM 787 OG SER A 50 5.937 -14.714 -1.567 1.00 0.00 O ATOM 0 H SER A 50 3.955 -13.608 -2.238 1.00 0.00 H new ATOM 0 HA SER A 50 3.534 -14.156 0.698 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.506 -15.552 0.274 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.329 -15.876 -0.984 1.00 0.00 H new ATOM 0 HG SER A 50 6.459 -15.493 -1.853 1.00 0.00 H new ATOM 793 N ALA A 51 6.376 -12.852 0.351 1.00 0.00 N ATOM 794 CA ALA A 51 7.237 -11.720 0.808 1.00 0.00 C ATOM 795 C ALA A 51 7.905 -11.025 -0.392 1.00 0.00 C ATOM 796 O ALA A 51 8.549 -10.005 -0.239 1.00 0.00 O ATOM 797 CB ALA A 51 8.288 -12.360 1.714 1.00 0.00 C ATOM 0 H ALA A 51 6.878 -13.687 0.050 1.00 0.00 H new ATOM 0 HA ALA A 51 6.661 -10.954 1.328 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.961 -11.590 2.091 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.795 -12.853 2.552 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.859 -13.095 1.146 1.00 0.00 H new ATOM 803 N LYS A 52 7.758 -11.562 -1.583 1.00 0.00 N ATOM 804 CA LYS A 52 8.385 -10.918 -2.778 1.00 0.00 C ATOM 805 C LYS A 52 7.578 -9.683 -3.186 1.00 0.00 C ATOM 806 O LYS A 52 8.131 -8.645 -3.496 1.00 0.00 O ATOM 807 CB LYS A 52 8.337 -11.980 -3.879 1.00 0.00 C ATOM 808 CG LYS A 52 9.275 -11.575 -5.019 1.00 0.00 C ATOM 809 CD LYS A 52 10.717 -11.922 -4.641 1.00 0.00 C ATOM 810 CE LYS A 52 11.577 -11.976 -5.905 1.00 0.00 C ATOM 811 NZ LYS A 52 12.978 -12.087 -5.412 1.00 0.00 N ATOM 0 H LYS A 52 7.233 -12.415 -1.776 1.00 0.00 H new ATOM 0 HA LYS A 52 9.405 -10.587 -2.583 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.633 -12.949 -3.477 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.318 -12.087 -4.252 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.994 -12.092 -5.937 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.186 -10.506 -5.215 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.113 -11.177 -3.951 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.748 -12.882 -4.126 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.309 -12.829 -6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.442 -11.081 -6.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.629 -12.129 -6.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 13.207 -11.258 -4.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.078 -12.951 -4.842 1.00 0.00 H new ATOM 825 N ASP A 53 6.275 -9.793 -3.185 1.00 0.00 N ATOM 826 CA ASP A 53 5.418 -8.632 -3.567 1.00 0.00 C ATOM 827 C ASP A 53 4.456 -8.290 -2.426 1.00 0.00 C ATOM 828 O ASP A 53 3.252 -8.261 -2.598 1.00 0.00 O ATOM 829 CB ASP A 53 4.643 -9.102 -4.800 1.00 0.00 C ATOM 830 CG ASP A 53 5.262 -8.497 -6.063 1.00 0.00 C ATOM 831 OD1 ASP A 53 6.309 -8.973 -6.471 1.00 0.00 O ATOM 832 OD2 ASP A 53 4.680 -7.570 -6.599 1.00 0.00 O ATOM 0 H ASP A 53 5.766 -10.641 -2.935 1.00 0.00 H new ATOM 0 HA ASP A 53 6.002 -7.734 -3.771 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.662 -10.190 -4.860 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.597 -8.806 -4.718 1.00 0.00 H new ATOM 837 N LYS A 54 4.985 -8.036 -1.257 1.00 0.00 N ATOM 838 CA LYS A 54 4.114 -7.697 -0.097 1.00 0.00 C ATOM 839 C LYS A 54 4.942 -7.204 1.097 1.00 0.00 C ATOM 840 O LYS A 54 4.509 -6.349 1.847 1.00 0.00 O ATOM 841 CB LYS A 54 3.413 -9.009 0.245 1.00 0.00 C ATOM 842 CG LYS A 54 1.950 -8.723 0.598 1.00 0.00 C ATOM 843 CD LYS A 54 1.354 -9.892 1.380 1.00 0.00 C ATOM 844 CE LYS A 54 1.898 -9.886 2.810 1.00 0.00 C ATOM 845 NZ LYS A 54 1.497 -11.202 3.379 1.00 0.00 N ATOM 0 H LYS A 54 5.985 -8.049 -1.057 1.00 0.00 H new ATOM 0 HA LYS A 54 3.416 -6.893 -0.332 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.468 -9.695 -0.600 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.913 -9.495 1.083 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.884 -7.810 1.189 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.375 -8.555 -0.313 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.267 -9.816 1.394 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.602 -10.834 0.890 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.981 -9.765 2.820 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.480 -9.062 3.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.835 -11.273 4.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.461 -11.286 3.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.915 -11.967 2.812 1.00 0.00 H new ATOM 859 N GLN A 55 6.120 -7.741 1.284 1.00 0.00 N ATOM 860 CA GLN A 55 6.972 -7.308 2.436 1.00 0.00 C ATOM 861 C GLN A 55 7.626 -5.939 2.167 1.00 0.00 C ATOM 862 O GLN A 55 7.530 -5.052 2.990 1.00 0.00 O ATOM 863 CB GLN A 55 8.038 -8.394 2.579 1.00 0.00 C ATOM 864 CG GLN A 55 7.540 -9.474 3.541 1.00 0.00 C ATOM 865 CD GLN A 55 7.499 -8.913 4.963 1.00 0.00 C ATOM 866 OE1 GLN A 55 8.522 -8.582 5.529 1.00 0.00 O ATOM 867 NE2 GLN A 55 6.349 -8.790 5.570 1.00 0.00 N ATOM 0 H GLN A 55 6.530 -8.461 0.689 1.00 0.00 H new ATOM 0 HA GLN A 55 6.382 -7.189 3.345 1.00 0.00 H new ATOM 0 HB2 GLN A 55 8.258 -8.832 1.606 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.966 -7.961 2.951 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.547 -9.811 3.243 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.197 -10.343 3.500 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.490 -9.068 5.096 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.310 -8.416 6.518 1.00 0.00 H new ATOM 876 N PRO A 56 8.283 -5.798 1.032 1.00 0.00 N ATOM 877 CA PRO A 56 8.946 -4.506 0.714 1.00 0.00 C ATOM 878 C PRO A 56 7.920 -3.430 0.329 1.00 0.00 C ATOM 879 O PRO A 56 8.255 -2.265 0.219 1.00 0.00 O ATOM 880 CB PRO A 56 9.837 -4.842 -0.477 1.00 0.00 C ATOM 881 CG PRO A 56 9.195 -6.028 -1.121 1.00 0.00 C ATOM 882 CD PRO A 56 8.478 -6.790 -0.040 1.00 0.00 C ATOM 0 HA PRO A 56 9.496 -4.102 1.564 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.901 -4.003 -1.170 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.854 -5.069 -0.157 1.00 0.00 H new ATOM 0 HG2 PRO A 56 8.497 -5.713 -1.897 1.00 0.00 H new ATOM 0 HG3 PRO A 56 9.944 -6.657 -1.602 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.526 -7.185 -0.395 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.067 -7.640 0.306 1.00 0.00 H new ATOM 890 N TYR A 57 6.679 -3.803 0.111 1.00 0.00 N ATOM 891 CA TYR A 57 5.652 -2.793 -0.282 1.00 0.00 C ATOM 892 C TYR A 57 4.945 -2.216 0.951 1.00 0.00 C ATOM 893 O TYR A 57 4.653 -1.036 1.002 1.00 0.00 O ATOM 894 CB TYR A 57 4.670 -3.557 -1.171 1.00 0.00 C ATOM 895 CG TYR A 57 5.271 -3.707 -2.550 1.00 0.00 C ATOM 896 CD1 TYR A 57 5.400 -2.588 -3.383 1.00 0.00 C ATOM 897 CD2 TYR A 57 5.707 -4.962 -2.993 1.00 0.00 C ATOM 898 CE1 TYR A 57 5.962 -2.724 -4.657 1.00 0.00 C ATOM 899 CE2 TYR A 57 6.269 -5.097 -4.269 1.00 0.00 C ATOM 900 CZ TYR A 57 6.396 -3.978 -5.100 1.00 0.00 C ATOM 901 OH TYR A 57 6.952 -4.111 -6.357 1.00 0.00 O ATOM 0 H TYR A 57 6.337 -4.761 0.189 1.00 0.00 H new ATOM 0 HA TYR A 57 6.094 -1.941 -0.799 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.459 -4.537 -0.743 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.721 -3.024 -1.229 1.00 0.00 H new ATOM 0 HD1 TYR A 57 5.065 -1.620 -3.041 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.610 -5.825 -2.351 1.00 0.00 H new ATOM 0 HE1 TYR A 57 6.061 -1.861 -5.299 1.00 0.00 H new ATOM 0 HE2 TYR A 57 6.604 -6.065 -4.612 1.00 0.00 H new ATOM 0 HH TYR A 57 6.251 -4.341 -7.002 1.00 0.00 H new ATOM 911 N GLU A 58 4.677 -3.024 1.949 1.00 0.00 N ATOM 912 CA GLU A 58 3.999 -2.491 3.172 1.00 0.00 C ATOM 913 C GLU A 58 4.985 -1.657 3.997 1.00 0.00 C ATOM 914 O GLU A 58 4.597 -0.751 4.711 1.00 0.00 O ATOM 915 CB GLU A 58 3.523 -3.720 3.957 1.00 0.00 C ATOM 916 CG GLU A 58 4.718 -4.598 4.349 1.00 0.00 C ATOM 917 CD GLU A 58 5.077 -4.352 5.817 1.00 0.00 C ATOM 918 OE1 GLU A 58 5.774 -3.386 6.082 1.00 0.00 O ATOM 919 OE2 GLU A 58 4.649 -5.133 6.650 1.00 0.00 O ATOM 0 H GLU A 58 4.896 -4.020 1.970 1.00 0.00 H new ATOM 0 HA GLU A 58 3.162 -1.838 2.924 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.987 -3.403 4.852 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.822 -4.297 3.353 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.476 -5.649 4.195 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.573 -4.371 3.712 1.00 0.00 H new ATOM 926 N GLN A 59 6.257 -1.951 3.894 1.00 0.00 N ATOM 927 CA GLN A 59 7.275 -1.172 4.661 1.00 0.00 C ATOM 928 C GLN A 59 7.372 0.245 4.092 1.00 0.00 C ATOM 929 O GLN A 59 7.067 1.212 4.762 1.00 0.00 O ATOM 930 CB GLN A 59 8.595 -1.922 4.463 1.00 0.00 C ATOM 931 CG GLN A 59 8.732 -3.004 5.535 1.00 0.00 C ATOM 932 CD GLN A 59 10.071 -3.723 5.368 1.00 0.00 C ATOM 933 OE1 GLN A 59 11.022 -3.432 6.066 1.00 0.00 O ATOM 934 NE2 GLN A 59 10.188 -4.657 4.463 1.00 0.00 N ATOM 0 H GLN A 59 6.634 -2.698 3.311 1.00 0.00 H new ATOM 0 HA GLN A 59 7.021 -1.083 5.717 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.625 -2.372 3.471 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.433 -1.227 4.523 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.669 -2.557 6.527 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.912 -3.717 5.453 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.390 -4.902 3.877 1.00 0.00 H new ATOM 0 HE22 GLN A 59 11.077 -5.142 4.342 1.00 0.00 H new ATOM 943 N LYS A 60 7.809 0.369 2.860 1.00 0.00 N ATOM 944 CA LYS A 60 7.957 1.720 2.211 1.00 0.00 C ATOM 945 C LYS A 60 6.749 2.635 2.475 1.00 0.00 C ATOM 946 O LYS A 60 6.879 3.844 2.467 1.00 0.00 O ATOM 947 CB LYS A 60 8.074 1.423 0.715 1.00 0.00 C ATOM 948 CG LYS A 60 8.614 2.659 -0.011 1.00 0.00 C ATOM 949 CD LYS A 60 8.405 2.496 -1.517 1.00 0.00 C ATOM 950 CE LYS A 60 8.943 3.732 -2.244 1.00 0.00 C ATOM 951 NZ LYS A 60 10.404 3.483 -2.394 1.00 0.00 N ATOM 0 H LYS A 60 8.074 -0.417 2.266 1.00 0.00 H new ATOM 0 HA LYS A 60 8.820 2.251 2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.738 0.574 0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.100 1.147 0.311 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.103 3.554 0.343 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.674 2.789 0.208 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.917 1.601 -1.871 1.00 0.00 H new ATOM 0 HD3 LYS A 60 7.345 2.365 -1.736 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.462 3.860 -3.214 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.754 4.640 -1.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.926 4.366 -2.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.706 2.764 -1.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.601 3.145 -3.358 1.00 0.00 H new ATOM 965 N ALA A 61 5.587 2.080 2.725 1.00 0.00 N ATOM 966 CA ALA A 61 4.397 2.938 3.005 1.00 0.00 C ATOM 967 C ALA A 61 4.208 3.064 4.513 1.00 0.00 C ATOM 968 O ALA A 61 3.806 4.097 5.016 1.00 0.00 O ATOM 969 CB ALA A 61 3.212 2.212 2.367 1.00 0.00 C ATOM 0 H ALA A 61 5.414 1.075 2.747 1.00 0.00 H new ATOM 0 HA ALA A 61 4.503 3.946 2.604 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.301 2.787 2.534 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.384 2.107 1.296 1.00 0.00 H new ATOM 0 HB3 ALA A 61 3.106 1.225 2.816 1.00 0.00 H new ATOM 975 N ALA A 62 4.517 2.022 5.234 1.00 0.00 N ATOM 976 CA ALA A 62 4.382 2.068 6.724 1.00 0.00 C ATOM 977 C ALA A 62 5.314 3.147 7.287 1.00 0.00 C ATOM 978 O ALA A 62 4.965 3.861 8.209 1.00 0.00 O ATOM 979 CB ALA A 62 4.806 0.682 7.214 1.00 0.00 C ATOM 0 H ALA A 62 4.858 1.137 4.858 1.00 0.00 H new ATOM 0 HA ALA A 62 3.368 2.310 7.044 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.732 0.642 8.301 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.153 -0.074 6.778 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.836 0.489 6.913 1.00 0.00 H new ATOM 985 N LYS A 63 6.491 3.277 6.724 1.00 0.00 N ATOM 986 CA LYS A 63 7.446 4.321 7.207 1.00 0.00 C ATOM 987 C LYS A 63 7.096 5.697 6.607 1.00 0.00 C ATOM 988 O LYS A 63 7.676 6.702 6.972 1.00 0.00 O ATOM 989 CB LYS A 63 8.834 3.849 6.743 1.00 0.00 C ATOM 990 CG LYS A 63 8.920 3.853 5.210 1.00 0.00 C ATOM 991 CD LYS A 63 10.367 3.605 4.778 1.00 0.00 C ATOM 992 CE LYS A 63 10.562 4.090 3.340 1.00 0.00 C ATOM 993 NZ LYS A 63 11.089 5.477 3.471 1.00 0.00 N ATOM 0 H LYS A 63 6.831 2.705 5.951 1.00 0.00 H new ATOM 0 HA LYS A 63 7.407 4.441 8.290 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.603 4.500 7.158 1.00 0.00 H new ATOM 0 HB3 LYS A 63 9.028 2.845 7.121 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.269 3.082 4.797 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.571 4.809 4.818 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.052 4.129 5.445 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.602 2.543 4.850 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.260 3.452 2.799 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.623 4.075 2.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.249 5.878 2.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.400 6.063 3.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.987 5.459 3.995 1.00 0.00 H new ATOM 1007 N LEU A 64 6.141 5.747 5.707 1.00 0.00 N ATOM 1008 CA LEU A 64 5.740 7.050 5.101 1.00 0.00 C ATOM 1009 C LEU A 64 4.445 7.538 5.761 1.00 0.00 C ATOM 1010 O LEU A 64 4.165 8.721 5.799 1.00 0.00 O ATOM 1011 CB LEU A 64 5.515 6.755 3.610 1.00 0.00 C ATOM 1012 CG LEU A 64 6.566 7.496 2.758 1.00 0.00 C ATOM 1013 CD1 LEU A 64 7.447 6.484 2.022 1.00 0.00 C ATOM 1014 CD2 LEU A 64 5.863 8.389 1.730 1.00 0.00 C ATOM 0 H LEU A 64 5.623 4.937 5.368 1.00 0.00 H new ATOM 0 HA LEU A 64 6.491 7.827 5.240 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.580 5.682 3.430 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.513 7.067 3.317 1.00 0.00 H new ATOM 0 HG LEU A 64 7.184 8.108 3.415 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.187 7.014 1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.955 5.849 2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.827 5.867 1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.609 8.911 1.130 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.240 7.775 1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.239 9.118 2.247 1.00 0.00 H new ATOM 1026 N LYS A 65 3.665 6.630 6.297 1.00 0.00 N ATOM 1027 CA LYS A 65 2.397 7.031 6.976 1.00 0.00 C ATOM 1028 C LYS A 65 2.721 7.669 8.330 1.00 0.00 C ATOM 1029 O LYS A 65 2.267 8.755 8.638 1.00 0.00 O ATOM 1030 CB LYS A 65 1.612 5.728 7.161 1.00 0.00 C ATOM 1031 CG LYS A 65 0.270 6.027 7.834 1.00 0.00 C ATOM 1032 CD LYS A 65 -0.380 4.716 8.280 1.00 0.00 C ATOM 1033 CE LYS A 65 -1.637 5.021 9.097 1.00 0.00 C ATOM 1034 NZ LYS A 65 -2.036 3.714 9.690 1.00 0.00 N ATOM 0 H LYS A 65 3.854 5.628 6.292 1.00 0.00 H new ATOM 0 HA LYS A 65 1.826 7.762 6.403 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.447 5.251 6.195 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.187 5.029 7.768 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.419 6.682 8.693 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -0.387 6.554 7.142 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.637 4.111 7.410 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.322 4.134 8.877 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.435 5.761 9.872 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.429 5.427 8.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.893 3.841 10.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.229 3.032 8.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.266 3.355 10.290 1.00 0.00 H new ATOM 1048 N GLU A 66 3.506 6.999 9.134 1.00 0.00 N ATOM 1049 CA GLU A 66 3.871 7.559 10.472 1.00 0.00 C ATOM 1050 C GLU A 66 4.629 8.879 10.302 1.00 0.00 C ATOM 1051 O GLU A 66 4.556 9.758 11.140 1.00 0.00 O ATOM 1052 CB GLU A 66 4.769 6.504 11.122 1.00 0.00 C ATOM 1053 CG GLU A 66 3.917 5.318 11.578 1.00 0.00 C ATOM 1054 CD GLU A 66 4.745 4.420 12.500 1.00 0.00 C ATOM 1055 OE1 GLU A 66 5.625 3.741 11.999 1.00 0.00 O ATOM 1056 OE2 GLU A 66 4.482 4.427 13.691 1.00 0.00 O ATOM 0 H GLU A 66 3.911 6.087 8.922 1.00 0.00 H new ATOM 0 HA GLU A 66 2.992 7.771 11.081 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.527 6.170 10.413 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.297 6.935 11.973 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.029 5.674 12.101 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.572 4.751 10.714 1.00 0.00 H new ATOM 1063 N LYS A 67 5.359 9.020 9.224 1.00 0.00 N ATOM 1064 CA LYS A 67 6.129 10.280 8.992 1.00 0.00 C ATOM 1065 C LYS A 67 5.210 11.389 8.458 1.00 0.00 C ATOM 1066 O LYS A 67 5.501 12.558 8.601 1.00 0.00 O ATOM 1067 CB LYS A 67 7.187 9.914 7.949 1.00 0.00 C ATOM 1068 CG LYS A 67 8.459 10.725 8.205 1.00 0.00 C ATOM 1069 CD LYS A 67 9.156 10.199 9.460 1.00 0.00 C ATOM 1070 CE LYS A 67 10.573 10.773 9.537 1.00 0.00 C ATOM 1071 NZ LYS A 67 11.332 9.813 10.386 1.00 0.00 N ATOM 0 H LYS A 67 5.455 8.315 8.493 1.00 0.00 H new ATOM 0 HA LYS A 67 6.573 10.659 9.912 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.407 8.848 7.998 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.810 10.116 6.947 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.128 10.653 7.347 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.212 11.779 8.328 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.590 10.480 10.348 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.194 9.110 9.438 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.018 10.860 8.546 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.571 11.771 9.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.315 10.139 10.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.890 9.756 11.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.322 8.873 9.941 1.00 0.00 H new ATOM 1085 N TYR A 68 4.104 11.025 7.857 1.00 0.00 N ATOM 1086 CA TYR A 68 3.152 12.051 7.315 1.00 0.00 C ATOM 1087 C TYR A 68 2.469 12.782 8.482 1.00 0.00 C ATOM 1088 O TYR A 68 2.171 13.959 8.405 1.00 0.00 O ATOM 1089 CB TYR A 68 2.158 11.224 6.468 1.00 0.00 C ATOM 1090 CG TYR A 68 0.851 11.954 6.218 1.00 0.00 C ATOM 1091 CD1 TYR A 68 -0.192 11.852 7.145 1.00 0.00 C ATOM 1092 CD2 TYR A 68 0.677 12.705 5.049 1.00 0.00 C ATOM 1093 CE1 TYR A 68 -1.409 12.502 6.907 1.00 0.00 C ATOM 1094 CE2 TYR A 68 -0.542 13.353 4.809 1.00 0.00 C ATOM 1095 CZ TYR A 68 -1.585 13.251 5.738 1.00 0.00 C ATOM 1096 OH TYR A 68 -2.785 13.889 5.502 1.00 0.00 O ATOM 0 H TYR A 68 3.816 10.057 7.717 1.00 0.00 H new ATOM 0 HA TYR A 68 3.626 12.829 6.716 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.620 10.977 5.512 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.952 10.282 6.975 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -0.058 11.271 8.046 1.00 0.00 H new ATOM 0 HD2 TYR A 68 1.482 12.785 4.333 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -2.212 12.425 7.625 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -0.677 13.931 3.907 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.740 14.366 4.647 1.00 0.00 H new ATOM 1106 N GLU A 69 2.225 12.081 9.554 1.00 0.00 N ATOM 1107 CA GLU A 69 1.561 12.709 10.739 1.00 0.00 C ATOM 1108 C GLU A 69 2.457 13.802 11.328 1.00 0.00 C ATOM 1109 O GLU A 69 1.977 14.797 11.837 1.00 0.00 O ATOM 1110 CB GLU A 69 1.366 11.573 11.745 1.00 0.00 C ATOM 1111 CG GLU A 69 0.332 10.584 11.204 1.00 0.00 C ATOM 1112 CD GLU A 69 -0.256 9.776 12.363 1.00 0.00 C ATOM 1113 OE1 GLU A 69 0.489 9.028 12.975 1.00 0.00 O ATOM 1114 OE2 GLU A 69 -1.440 9.918 12.618 1.00 0.00 O ATOM 0 H GLU A 69 2.457 11.094 9.664 1.00 0.00 H new ATOM 0 HA GLU A 69 0.614 13.180 10.476 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.313 11.064 11.923 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.035 11.974 12.703 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.460 11.120 10.681 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.797 9.915 10.479 1.00 0.00 H new ATOM 1121 N LYS A 70 3.754 13.634 11.245 1.00 0.00 N ATOM 1122 CA LYS A 70 4.685 14.672 11.780 1.00 0.00 C ATOM 1123 C LYS A 70 5.024 15.657 10.662 1.00 0.00 C ATOM 1124 O LYS A 70 5.192 16.841 10.887 1.00 0.00 O ATOM 1125 CB LYS A 70 5.932 13.904 12.222 1.00 0.00 C ATOM 1126 CG LYS A 70 5.784 13.489 13.688 1.00 0.00 C ATOM 1127 CD LYS A 70 5.022 12.166 13.770 1.00 0.00 C ATOM 1128 CE LYS A 70 5.992 11.003 13.547 1.00 0.00 C ATOM 1129 NZ LYS A 70 5.358 9.839 14.227 1.00 0.00 N ATOM 0 H LYS A 70 4.208 12.821 10.829 1.00 0.00 H new ATOM 0 HA LYS A 70 4.259 15.242 12.606 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.070 13.023 11.596 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.818 14.526 12.097 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.767 13.384 14.148 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.253 14.262 14.244 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.541 12.071 14.744 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.231 12.143 13.020 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.138 10.808 12.484 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.973 11.221 13.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.964 9.001 14.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 5.238 10.051 15.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.429 9.651 13.800 1.00 0.00 H new ATOM 1143 N ASP A 71 5.098 15.165 9.451 1.00 0.00 N ATOM 1144 CA ASP A 71 5.395 16.055 8.288 1.00 0.00 C ATOM 1145 C ASP A 71 4.269 17.076 8.145 1.00 0.00 C ATOM 1146 O ASP A 71 4.486 18.272 8.145 1.00 0.00 O ATOM 1147 CB ASP A 71 5.426 15.126 7.072 1.00 0.00 C ATOM 1148 CG ASP A 71 6.876 14.802 6.707 1.00 0.00 C ATOM 1149 OD1 ASP A 71 7.542 14.172 7.511 1.00 0.00 O ATOM 1150 OD2 ASP A 71 7.295 15.191 5.629 1.00 0.00 O ATOM 0 H ASP A 71 4.965 14.181 9.217 1.00 0.00 H new ATOM 0 HA ASP A 71 6.332 16.601 8.400 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.882 14.207 7.290 1.00 0.00 H new ATOM 0 HB3 ASP A 71 4.925 15.600 6.228 1.00 0.00 H new ATOM 1155 N ILE A 72 3.061 16.593 8.024 1.00 0.00 N ATOM 1156 CA ILE A 72 1.877 17.500 7.880 1.00 0.00 C ATOM 1157 C ILE A 72 1.844 18.532 9.021 1.00 0.00 C ATOM 1158 O ILE A 72 1.641 19.708 8.791 1.00 0.00 O ATOM 1159 CB ILE A 72 0.667 16.545 7.927 1.00 0.00 C ATOM 1160 CG1 ILE A 72 0.580 15.786 6.597 1.00 0.00 C ATOM 1161 CG2 ILE A 72 -0.645 17.311 8.163 1.00 0.00 C ATOM 1162 CD1 ILE A 72 0.347 16.759 5.432 1.00 0.00 C ATOM 0 H ILE A 72 2.838 15.598 8.018 1.00 0.00 H new ATOM 0 HA ILE A 72 1.894 18.086 6.961 1.00 0.00 H new ATOM 0 HB ILE A 72 0.807 15.851 8.756 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.500 15.226 6.431 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.232 15.060 6.639 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.477 16.608 8.190 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.589 17.844 9.112 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.800 18.025 7.354 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.288 16.201 4.498 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.586 17.300 5.591 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.173 17.468 5.380 1.00 0.00 H new ATOM 1174 N ALA A 73 2.044 18.101 10.242 1.00 0.00 N ATOM 1175 CA ALA A 73 2.025 19.061 11.391 1.00 0.00 C ATOM 1176 C ALA A 73 3.100 20.136 11.197 1.00 0.00 C ATOM 1177 O ALA A 73 2.810 21.316 11.147 1.00 0.00 O ATOM 1178 CB ALA A 73 2.332 18.217 12.630 1.00 0.00 C ATOM 0 H ALA A 73 2.219 17.128 10.493 1.00 0.00 H new ATOM 0 HA ALA A 73 1.068 19.575 11.479 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.335 18.855 13.514 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.571 17.445 12.742 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.310 17.748 12.518 1.00 0.00 H new ATOM 1184 N ALA A 74 4.339 19.731 11.089 1.00 0.00 N ATOM 1185 CA ALA A 74 5.447 20.720 10.899 1.00 0.00 C ATOM 1186 C ALA A 74 5.214 21.533 9.623 1.00 0.00 C ATOM 1187 O ALA A 74 5.466 22.723 9.580 1.00 0.00 O ATOM 1188 CB ALA A 74 6.722 19.882 10.773 1.00 0.00 C ATOM 0 H ALA A 74 4.634 18.755 11.124 1.00 0.00 H new ATOM 0 HA ALA A 74 5.509 21.429 11.725 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.578 20.541 10.631 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.863 19.295 11.681 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.634 19.212 9.918 1.00 0.00 H new ATOM 1194 N TYR A 75 4.726 20.898 8.591 1.00 0.00 N ATOM 1195 CA TYR A 75 4.462 21.626 7.312 1.00 0.00 C ATOM 1196 C TYR A 75 3.185 22.469 7.432 1.00 0.00 C ATOM 1197 O TYR A 75 2.971 23.387 6.663 1.00 0.00 O ATOM 1198 CB TYR A 75 4.284 20.533 6.258 1.00 0.00 C ATOM 1199 CG TYR A 75 4.611 21.093 4.895 1.00 0.00 C ATOM 1200 CD1 TYR A 75 3.620 21.741 4.148 1.00 0.00 C ATOM 1201 CD2 TYR A 75 5.906 20.965 4.379 1.00 0.00 C ATOM 1202 CE1 TYR A 75 3.924 22.261 2.884 1.00 0.00 C ATOM 1203 CE2 TYR A 75 6.211 21.487 3.116 1.00 0.00 C ATOM 1204 CZ TYR A 75 5.219 22.135 2.368 1.00 0.00 C ATOM 1205 OH TYR A 75 5.519 22.649 1.123 1.00 0.00 O ATOM 0 H TYR A 75 4.498 19.904 8.577 1.00 0.00 H new ATOM 0 HA TYR A 75 5.271 22.310 7.056 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.935 19.687 6.482 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.260 20.160 6.274 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.621 21.840 4.547 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.670 20.464 4.955 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.159 22.759 2.307 1.00 0.00 H new ATOM 0 HE2 TYR A 75 7.211 21.390 2.718 1.00 0.00 H new ATOM 0 HH TYR A 75 6.328 23.198 1.182 1.00 0.00 H new ATOM 1215 N ARG A 76 2.338 22.166 8.388 1.00 0.00 N ATOM 1216 CA ARG A 76 1.076 22.954 8.549 1.00 0.00 C ATOM 1217 C ARG A 76 1.407 24.418 8.862 1.00 0.00 C ATOM 1218 O ARG A 76 1.180 25.297 8.051 1.00 0.00 O ATOM 1219 CB ARG A 76 0.332 22.301 9.718 1.00 0.00 C ATOM 1220 CG ARG A 76 -1.013 23.001 9.922 1.00 0.00 C ATOM 1221 CD ARG A 76 -1.847 22.221 10.941 1.00 0.00 C ATOM 1222 NE ARG A 76 -1.312 22.631 12.269 1.00 0.00 N ATOM 1223 CZ ARG A 76 -1.753 23.717 12.842 1.00 0.00 C ATOM 1224 NH1 ARG A 76 -2.813 23.671 13.601 1.00 0.00 N ATOM 1225 NH2 ARG A 76 -1.133 24.851 12.657 1.00 0.00 N ATOM 0 H ARG A 76 2.466 21.410 9.061 1.00 0.00 H new ATOM 0 HA ARG A 76 0.471 22.952 7.642 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.176 21.241 9.517 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.930 22.368 10.627 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.854 24.021 10.271 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.547 23.068 8.974 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.906 22.461 10.851 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.750 21.146 10.791 1.00 0.00 H new ATOM 0 HE ARG A 76 -0.601 22.063 12.730 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.298 22.785 13.747 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.157 24.521 14.049 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.304 24.888 12.064 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.478 25.700 13.105 1.00 0.00 H new ATOM 1239 N ALA A 77 1.936 24.686 10.031 1.00 0.00 N ATOM 1240 CA ALA A 77 2.279 26.096 10.402 1.00 0.00 C ATOM 1241 C ALA A 77 3.250 26.700 9.384 1.00 0.00 C ATOM 1242 O ALA A 77 2.876 27.513 8.559 1.00 0.00 O ATOM 1243 CB ALA A 77 2.931 26.004 11.784 1.00 0.00 C ATOM 0 H ALA A 77 2.146 23.989 10.746 1.00 0.00 H new ATOM 0 HA ALA A 77 1.399 26.739 10.412 1.00 0.00 H new ATOM 0 HB1 ALA A 77 3.210 27.002 12.122 1.00 0.00 H new ATOM 0 HB2 ALA A 77 2.226 25.566 12.490 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.822 25.379 11.725 1.00 0.00 H new ATOM 1249 N LYS A 78 4.491 26.305 9.441 1.00 0.00 N ATOM 1250 CA LYS A 78 5.504 26.844 8.485 1.00 0.00 C ATOM 1251 C LYS A 78 5.624 25.925 7.267 1.00 0.00 C ATOM 1252 O LYS A 78 5.709 24.723 7.462 1.00 0.00 O ATOM 1253 CB LYS A 78 6.816 26.868 9.270 1.00 0.00 C ATOM 1254 CG LYS A 78 7.873 27.637 8.474 1.00 0.00 C ATOM 1255 CD LYS A 78 9.151 27.761 9.306 1.00 0.00 C ATOM 1256 CE LYS A 78 9.919 26.438 9.263 1.00 0.00 C ATOM 1257 NZ LYS A 78 11.030 26.609 10.239 1.00 0.00 N ATOM 1258 OXT LYS A 78 5.628 26.439 6.161 1.00 0.00 O ATOM 0 H LYS A 78 4.852 25.627 10.113 1.00 0.00 H new ATOM 0 HA LYS A 78 5.234 27.832 8.111 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.663 27.339 10.241 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.157 25.850 9.460 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.085 27.121 7.538 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.498 28.627 8.214 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.773 28.568 8.918 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.903 28.017 10.336 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.278 25.600 9.537 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.300 26.234 8.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.604 25.742 10.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 11.627 27.410 9.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.637 26.795 11.184 1.00 0.00 H new TER 1272 LYS A 78