USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 624 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 TYR OH : rot 75:sc= 0.14 USER MOD Set 1.2: A 45 CYS SG : rot -30:sc= -2.39 USER MOD Set 1.3: A 46 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 27 HIS : no HD1:sc= -1.8 X(o=-7.5,f=-7.6) USER MOD Set 2.2: A 31 HIS : no HE2:sc= -5.68 X(o=-7.5,f=-7!) USER MOD Single : A 1 MET CE :methyl -141:sc= 0 (180deg=-0.0469) USER MOD Single : A 1 MET N :NH3+ -158:sc= 0 (180deg=-0.116) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 142:sc= 0.121 (180deg=-0.36) USER MOD Single : A 13 MET CE :methyl -160:sc= -0.0432 (180deg=-0.456) USER MOD Single : A 14 SER OG : rot 180:sc= -0.395 USER MOD Single : A 15 SER OG : rot 119:sc= 0.476 USER MOD Single : A 21 GLN : amide:sc= -0.756 K(o=-0.76,f=-3.4!) USER MOD Single : A 22 THR OG1 : rot 110:sc= 1.21 USER MOD Single : A 23 SER OG : rot 117:sc= 1.22 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.779 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0852 USER MOD Single : A 37 ASN : amide:sc= -0.0684 K(o=-0.068,f=-0.89) USER MOD Single : A 42 SER OG : rot 170:sc= -1.59 USER MOD Single : A 43 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.0231) USER MOD Single : A 44 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.191) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -95:sc= -0.736 USER MOD Single : A 52 MET CE :methyl -168:sc= -1.33 (180deg=-1.68) USER MOD Single : A 53 SER OG : rot 180:sc= 0.0157 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0557 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -174:sc= -1.11 (180deg=-1.23) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -116:sc= -0.0704 (180deg=-0.496) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.408 21.234 -18.099 1.00 0.00 N ATOM 2 CA MET A 1 -17.581 21.829 -17.394 1.00 0.00 C ATOM 3 C MET A 1 -17.666 21.291 -15.963 1.00 0.00 C ATOM 4 O MET A 1 -17.759 22.046 -15.013 1.00 0.00 O ATOM 5 CB MET A 1 -18.798 21.386 -18.207 1.00 0.00 C ATOM 6 CG MET A 1 -18.881 22.210 -19.493 1.00 0.00 C ATOM 7 SD MET A 1 -20.479 21.922 -20.292 1.00 0.00 S ATOM 8 CE MET A 1 -21.428 23.137 -19.344 1.00 0.00 C ATOM 0 H1 MET A 1 -16.133 21.846 -18.893 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.611 21.149 -17.436 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.661 20.292 -18.460 1.00 0.00 H new ATOM 0 HA MET A 1 -17.513 22.914 -17.321 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.722 20.325 -18.447 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.707 21.516 -17.620 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.761 23.270 -19.267 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.070 21.934 -20.167 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.416 22.733 -19.121 1.00 0.00 H new ATOM 0 HE2 MET A 1 -20.907 23.359 -18.412 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.533 24.052 -19.927 1.00 0.00 H new ATOM 20 N GLY A 2 -17.636 19.992 -15.805 1.00 0.00 N ATOM 21 CA GLY A 2 -17.715 19.395 -14.440 1.00 0.00 C ATOM 22 C GLY A 2 -18.154 17.934 -14.545 1.00 0.00 C ATOM 23 O GLY A 2 -18.254 17.382 -15.625 1.00 0.00 O ATOM 0 H GLY A 2 -17.560 19.318 -16.567 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -16.745 19.459 -13.947 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -18.422 19.955 -13.827 1.00 0.00 H new ATOM 27 N LYS A 3 -18.419 17.301 -13.426 1.00 0.00 N ATOM 28 CA LYS A 3 -18.857 15.865 -13.438 1.00 0.00 C ATOM 29 C LYS A 3 -17.871 15.001 -14.235 1.00 0.00 C ATOM 30 O LYS A 3 -18.263 14.198 -15.061 1.00 0.00 O ATOM 31 CB LYS A 3 -20.234 15.863 -14.108 1.00 0.00 C ATOM 32 CG LYS A 3 -21.083 14.728 -13.531 1.00 0.00 C ATOM 33 CD LYS A 3 -22.530 14.880 -14.002 1.00 0.00 C ATOM 34 CE LYS A 3 -23.459 14.120 -13.053 1.00 0.00 C ATOM 35 NZ LYS A 3 -23.766 15.086 -11.961 1.00 0.00 N ATOM 0 H LYS A 3 -18.351 17.719 -12.498 1.00 0.00 H new ATOM 0 HA LYS A 3 -18.894 15.449 -12.431 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -20.730 16.820 -13.946 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -20.125 15.738 -15.185 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -20.685 13.764 -13.850 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -21.041 14.746 -12.442 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -22.805 15.934 -14.030 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -22.636 14.496 -15.016 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -24.367 13.798 -13.563 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -22.978 13.223 -12.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -24.400 14.638 -11.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -22.883 15.369 -11.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -24.230 15.926 -12.361 1.00 0.00 H new ATOM 49 N GLY A 4 -16.595 15.164 -13.990 1.00 0.00 N ATOM 50 CA GLY A 4 -15.576 14.359 -14.726 1.00 0.00 C ATOM 51 C GLY A 4 -15.734 12.881 -14.365 1.00 0.00 C ATOM 52 O GLY A 4 -16.454 12.532 -13.449 1.00 0.00 O ATOM 0 H GLY A 4 -16.215 15.822 -13.310 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.696 14.496 -15.801 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.573 14.701 -14.471 1.00 0.00 H new ATOM 56 N ASP A 5 -15.062 12.011 -15.078 1.00 0.00 N ATOM 57 CA ASP A 5 -15.161 10.545 -14.782 1.00 0.00 C ATOM 58 C ASP A 5 -14.173 9.753 -15.659 1.00 0.00 C ATOM 59 O ASP A 5 -13.304 9.082 -15.137 1.00 0.00 O ATOM 60 CB ASP A 5 -16.610 10.147 -15.100 1.00 0.00 C ATOM 61 CG ASP A 5 -17.399 9.981 -13.799 1.00 0.00 C ATOM 62 OD1 ASP A 5 -17.050 9.105 -13.024 1.00 0.00 O ATOM 63 OD2 ASP A 5 -18.339 10.732 -13.598 1.00 0.00 O ATOM 0 H ASP A 5 -14.447 12.252 -15.855 1.00 0.00 H new ATOM 0 HA ASP A 5 -14.910 10.327 -13.744 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -17.077 10.908 -15.725 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -16.625 9.216 -15.667 1.00 0.00 H new ATOM 68 N PRO A 6 -14.325 9.842 -16.969 1.00 0.00 N ATOM 69 CA PRO A 6 -13.409 9.104 -17.878 1.00 0.00 C ATOM 70 C PRO A 6 -12.036 9.770 -17.898 1.00 0.00 C ATOM 71 O PRO A 6 -11.012 9.115 -17.877 1.00 0.00 O ATOM 72 CB PRO A 6 -14.065 9.246 -19.247 1.00 0.00 C ATOM 73 CG PRO A 6 -14.869 10.501 -19.151 1.00 0.00 C ATOM 74 CD PRO A 6 -15.330 10.613 -17.724 1.00 0.00 C ATOM 0 HA PRO A 6 -13.261 8.067 -17.575 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.319 9.313 -20.039 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -14.696 8.387 -19.475 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.270 11.367 -19.433 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -15.720 10.468 -19.831 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -15.367 11.652 -17.396 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -16.331 10.202 -17.593 1.00 0.00 H new ATOM 82 N ASN A 7 -12.021 11.073 -17.964 1.00 0.00 N ATOM 83 CA ASN A 7 -10.730 11.814 -18.015 1.00 0.00 C ATOM 84 C ASN A 7 -10.672 12.860 -16.897 1.00 0.00 C ATOM 85 O ASN A 7 -9.706 12.938 -16.161 1.00 0.00 O ATOM 86 CB ASN A 7 -10.736 12.490 -19.393 1.00 0.00 C ATOM 87 CG ASN A 7 -9.702 11.822 -20.303 1.00 0.00 C ATOM 88 OD1 ASN A 7 -8.654 12.377 -20.564 1.00 0.00 O ATOM 89 ND2 ASN A 7 -9.958 10.641 -20.797 1.00 0.00 N ATOM 0 H ASN A 7 -12.855 11.660 -17.985 1.00 0.00 H new ATOM 0 HA ASN A 7 -9.866 11.165 -17.876 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -11.728 12.417 -19.839 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -10.510 13.551 -19.289 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -9.277 10.183 -21.403 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -10.839 10.176 -20.577 1.00 0.00 H new ATOM 96 N LYS A 8 -11.698 13.662 -16.766 1.00 0.00 N ATOM 97 CA LYS A 8 -11.707 14.707 -15.697 1.00 0.00 C ATOM 98 C LYS A 8 -12.012 14.066 -14.333 1.00 0.00 C ATOM 99 O LYS A 8 -12.778 13.126 -14.260 1.00 0.00 O ATOM 100 CB LYS A 8 -12.820 15.677 -16.095 1.00 0.00 C ATOM 101 CG LYS A 8 -12.269 16.711 -17.078 1.00 0.00 C ATOM 102 CD LYS A 8 -12.175 16.092 -18.474 1.00 0.00 C ATOM 103 CE LYS A 8 -11.920 17.193 -19.505 1.00 0.00 C ATOM 104 NZ LYS A 8 -12.388 16.622 -20.799 1.00 0.00 N ATOM 0 H LYS A 8 -12.531 13.638 -17.354 1.00 0.00 H new ATOM 0 HA LYS A 8 -10.745 15.211 -15.605 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -13.647 15.131 -16.550 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.216 16.176 -15.210 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -12.917 17.588 -17.101 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -11.285 17.050 -16.752 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -11.370 15.358 -18.504 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -13.098 15.563 -18.712 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.465 18.103 -19.254 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.863 17.456 -19.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.246 17.319 -21.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -11.846 15.761 -21.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -13.399 16.387 -20.729 1.00 0.00 H new ATOM 118 N PRO A 9 -11.404 14.588 -13.287 1.00 0.00 N ATOM 119 CA PRO A 9 -11.639 14.033 -11.931 1.00 0.00 C ATOM 120 C PRO A 9 -13.033 14.419 -11.429 1.00 0.00 C ATOM 121 O PRO A 9 -13.713 15.231 -12.028 1.00 0.00 O ATOM 122 CB PRO A 9 -10.556 14.687 -11.078 1.00 0.00 C ATOM 123 CG PRO A 9 -10.212 15.954 -11.791 1.00 0.00 C ATOM 124 CD PRO A 9 -10.461 15.721 -13.258 1.00 0.00 C ATOM 0 HA PRO A 9 -11.595 12.944 -11.903 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.916 14.888 -10.069 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.685 14.039 -10.982 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.821 16.780 -11.424 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.171 16.224 -11.616 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.885 16.604 -13.736 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.537 15.485 -13.787 1.00 0.00 H new ATOM 132 N ARG A 10 -13.460 13.842 -10.334 1.00 0.00 N ATOM 133 CA ARG A 10 -14.809 14.169 -9.786 1.00 0.00 C ATOM 134 C ARG A 10 -14.947 13.622 -8.362 1.00 0.00 C ATOM 135 O ARG A 10 -15.976 13.088 -7.991 1.00 0.00 O ATOM 136 CB ARG A 10 -15.797 13.476 -10.725 1.00 0.00 C ATOM 137 CG ARG A 10 -17.199 14.048 -10.503 1.00 0.00 C ATOM 138 CD ARG A 10 -18.230 13.157 -11.197 1.00 0.00 C ATOM 139 NE ARG A 10 -19.511 13.427 -10.486 1.00 0.00 N ATOM 140 CZ ARG A 10 -20.363 12.459 -10.285 1.00 0.00 C ATOM 141 NH1 ARG A 10 -20.999 11.929 -11.294 1.00 0.00 N ATOM 142 NH2 ARG A 10 -20.578 12.020 -9.076 1.00 0.00 N ATOM 0 H ARG A 10 -12.930 13.157 -9.795 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.984 15.244 -9.732 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -15.493 13.622 -11.762 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -15.798 12.402 -10.541 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -17.414 14.108 -9.436 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -17.256 15.063 -10.897 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -18.309 13.396 -12.257 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -17.954 12.105 -11.127 1.00 0.00 H new ATOM 0 HE ARG A 10 -19.722 14.369 -10.156 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -20.830 12.271 -12.240 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -21.665 11.172 -11.137 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -20.080 12.433 -8.287 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -21.244 11.263 -8.919 1.00 0.00 H new ATOM 156 N GLY A 11 -13.916 13.752 -7.567 1.00 0.00 N ATOM 157 CA GLY A 11 -13.976 13.242 -6.165 1.00 0.00 C ATOM 158 C GLY A 11 -13.433 11.813 -6.117 1.00 0.00 C ATOM 159 O GLY A 11 -13.338 11.143 -7.128 1.00 0.00 O ATOM 0 H GLY A 11 -13.033 14.191 -7.829 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -13.392 13.886 -5.507 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -15.004 13.264 -5.803 1.00 0.00 H new ATOM 163 N LYS A 12 -13.078 11.345 -4.947 1.00 0.00 N ATOM 164 CA LYS A 12 -12.540 9.956 -4.824 1.00 0.00 C ATOM 165 C LYS A 12 -13.679 8.971 -4.549 1.00 0.00 C ATOM 166 O LYS A 12 -14.842 9.307 -4.668 1.00 0.00 O ATOM 167 CB LYS A 12 -11.578 10.010 -3.636 1.00 0.00 C ATOM 168 CG LYS A 12 -10.413 10.946 -3.964 1.00 0.00 C ATOM 169 CD LYS A 12 -9.532 11.117 -2.726 1.00 0.00 C ATOM 170 CE LYS A 12 -10.159 12.153 -1.789 1.00 0.00 C ATOM 171 NZ LYS A 12 -9.750 13.472 -2.346 1.00 0.00 N ATOM 0 H LYS A 12 -13.138 11.865 -4.071 1.00 0.00 H new ATOM 0 HA LYS A 12 -12.045 9.621 -5.735 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.101 10.361 -2.747 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.204 9.011 -3.412 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.826 10.539 -4.788 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.792 11.915 -4.291 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.424 10.163 -2.210 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.532 11.436 -3.020 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.244 12.055 -1.762 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.802 12.028 -0.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.535 14.147 -2.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.923 13.828 -1.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.505 13.364 -3.351 1.00 0.00 H new ATOM 185 N MET A 13 -13.350 7.759 -4.183 1.00 0.00 N ATOM 186 CA MET A 13 -14.406 6.743 -3.897 1.00 0.00 C ATOM 187 C MET A 13 -13.826 5.602 -3.056 1.00 0.00 C ATOM 188 O MET A 13 -12.776 5.737 -2.455 1.00 0.00 O ATOM 189 CB MET A 13 -14.846 6.231 -5.272 1.00 0.00 C ATOM 190 CG MET A 13 -16.370 6.103 -5.311 1.00 0.00 C ATOM 191 SD MET A 13 -16.873 5.356 -6.882 1.00 0.00 S ATOM 192 CE MET A 13 -16.598 6.810 -7.923 1.00 0.00 C ATOM 0 H MET A 13 -12.392 7.428 -4.070 1.00 0.00 H new ATOM 0 HA MET A 13 -15.240 7.160 -3.333 1.00 0.00 H new ATOM 0 HB2 MET A 13 -14.509 6.915 -6.051 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.385 5.265 -5.476 1.00 0.00 H new ATOM 0 HG2 MET A 13 -16.716 5.491 -4.478 1.00 0.00 H new ATOM 0 HG3 MET A 13 -16.831 7.084 -5.199 1.00 0.00 H new ATOM 0 HE1 MET A 13 -17.163 6.706 -8.850 1.00 0.00 H new ATOM 0 HE2 MET A 13 -16.929 7.704 -7.394 1.00 0.00 H new ATOM 0 HE3 MET A 13 -15.536 6.897 -8.153 1.00 0.00 H new ATOM 202 N SER A 14 -14.503 4.483 -3.010 1.00 0.00 N ATOM 203 CA SER A 14 -13.999 3.328 -2.210 1.00 0.00 C ATOM 204 C SER A 14 -14.374 2.009 -2.890 1.00 0.00 C ATOM 205 O SER A 14 -15.024 1.994 -3.918 1.00 0.00 O ATOM 206 CB SER A 14 -14.695 3.450 -0.856 1.00 0.00 C ATOM 207 OG SER A 14 -14.496 2.253 -0.116 1.00 0.00 O ATOM 0 H SER A 14 -15.386 4.320 -3.494 1.00 0.00 H new ATOM 0 HA SER A 14 -12.913 3.336 -2.112 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.297 4.302 -0.305 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.761 3.631 -0.997 1.00 0.00 H new ATOM 0 HG SER A 14 -14.940 2.329 0.754 1.00 0.00 H new ATOM 213 N SER A 15 -13.969 0.902 -2.320 1.00 0.00 N ATOM 214 CA SER A 15 -14.300 -0.424 -2.927 1.00 0.00 C ATOM 215 C SER A 15 -15.795 -0.716 -2.774 1.00 0.00 C ATOM 216 O SER A 15 -16.383 -1.415 -3.578 1.00 0.00 O ATOM 217 CB SER A 15 -13.472 -1.444 -2.144 1.00 0.00 C ATOM 218 OG SER A 15 -13.852 -1.405 -0.775 1.00 0.00 O ATOM 0 H SER A 15 -13.423 0.859 -1.460 1.00 0.00 H new ATOM 0 HA SER A 15 -14.076 -0.454 -3.993 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.628 -2.444 -2.548 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.410 -1.222 -2.245 1.00 0.00 H new ATOM 0 HG SER A 15 -14.206 -2.279 -0.509 1.00 0.00 H new ATOM 224 N TYR A 16 -16.411 -0.186 -1.747 1.00 0.00 N ATOM 225 CA TYR A 16 -17.871 -0.429 -1.534 1.00 0.00 C ATOM 226 C TYR A 16 -18.690 0.296 -2.607 1.00 0.00 C ATOM 227 O TYR A 16 -19.774 -0.126 -2.961 1.00 0.00 O ATOM 228 CB TYR A 16 -18.178 0.143 -0.148 1.00 0.00 C ATOM 229 CG TYR A 16 -19.452 -0.471 0.379 1.00 0.00 C ATOM 230 CD1 TYR A 16 -20.693 0.003 -0.064 1.00 0.00 C ATOM 231 CD2 TYR A 16 -19.393 -1.514 1.311 1.00 0.00 C ATOM 232 CE1 TYR A 16 -21.875 -0.567 0.424 1.00 0.00 C ATOM 233 CE2 TYR A 16 -20.575 -2.084 1.800 1.00 0.00 C ATOM 234 CZ TYR A 16 -21.815 -1.611 1.357 1.00 0.00 C ATOM 235 OH TYR A 16 -22.980 -2.171 1.839 1.00 0.00 O ATOM 0 H TYR A 16 -15.965 0.405 -1.046 1.00 0.00 H new ATOM 0 HA TYR A 16 -18.124 -1.487 -1.600 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -17.353 -0.064 0.534 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -18.280 1.227 -0.205 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -20.738 0.808 -0.782 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -18.436 -1.879 1.653 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -22.832 -0.202 0.082 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -20.529 -2.889 2.519 1.00 0.00 H new ATOM 0 HH TYR A 16 -23.371 -2.754 1.155 1.00 0.00 H new ATOM 245 N ALA A 17 -18.176 1.384 -3.124 1.00 0.00 N ATOM 246 CA ALA A 17 -18.919 2.144 -4.176 1.00 0.00 C ATOM 247 C ALA A 17 -18.801 1.429 -5.524 1.00 0.00 C ATOM 248 O ALA A 17 -19.699 1.483 -6.344 1.00 0.00 O ATOM 249 CB ALA A 17 -18.241 3.514 -4.234 1.00 0.00 C ATOM 0 H ALA A 17 -17.273 1.779 -2.863 1.00 0.00 H new ATOM 0 HA ALA A 17 -19.982 2.227 -3.951 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.732 4.131 -4.986 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.317 3.999 -3.261 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.190 3.389 -4.497 1.00 0.00 H new ATOM 255 N PHE A 18 -17.702 0.759 -5.756 1.00 0.00 N ATOM 256 CA PHE A 18 -17.517 0.034 -7.050 1.00 0.00 C ATOM 257 C PHE A 18 -18.205 -1.331 -6.995 1.00 0.00 C ATOM 258 O PHE A 18 -18.639 -1.857 -8.003 1.00 0.00 O ATOM 259 CB PHE A 18 -16.004 -0.132 -7.199 1.00 0.00 C ATOM 260 CG PHE A 18 -15.431 1.069 -7.912 1.00 0.00 C ATOM 261 CD1 PHE A 18 -15.122 2.229 -7.192 1.00 0.00 C ATOM 262 CD2 PHE A 18 -15.208 1.022 -9.294 1.00 0.00 C ATOM 263 CE1 PHE A 18 -14.592 3.343 -7.854 1.00 0.00 C ATOM 264 CE2 PHE A 18 -14.677 2.136 -9.955 1.00 0.00 C ATOM 265 CZ PHE A 18 -14.369 3.297 -9.234 1.00 0.00 C ATOM 0 H PHE A 18 -16.922 0.682 -5.103 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.952 0.574 -7.891 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.541 -0.240 -6.218 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.781 -1.040 -7.758 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -15.292 2.265 -6.126 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -15.446 0.127 -9.849 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -14.355 4.239 -7.299 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -14.505 2.100 -11.021 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.959 4.157 -9.744 1.00 0.00 H new ATOM 275 N PHE A 19 -18.307 -1.907 -5.823 1.00 0.00 N ATOM 276 CA PHE A 19 -18.969 -3.243 -5.693 1.00 0.00 C ATOM 277 C PHE A 19 -20.458 -3.128 -6.027 1.00 0.00 C ATOM 278 O PHE A 19 -21.032 -4.003 -6.649 1.00 0.00 O ATOM 279 CB PHE A 19 -18.773 -3.649 -4.230 1.00 0.00 C ATOM 280 CG PHE A 19 -19.057 -5.123 -4.074 1.00 0.00 C ATOM 281 CD1 PHE A 19 -18.125 -6.067 -4.522 1.00 0.00 C ATOM 282 CD2 PHE A 19 -20.251 -5.546 -3.480 1.00 0.00 C ATOM 283 CE1 PHE A 19 -18.388 -7.434 -4.377 1.00 0.00 C ATOM 284 CE2 PHE A 19 -20.515 -6.913 -3.335 1.00 0.00 C ATOM 285 CZ PHE A 19 -19.584 -7.857 -3.783 1.00 0.00 C ATOM 0 H PHE A 19 -17.960 -1.510 -4.950 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.546 -3.980 -6.376 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -17.753 -3.429 -3.914 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.437 -3.070 -3.589 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.203 -5.740 -4.980 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -20.969 -4.818 -3.133 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -17.669 -8.162 -4.723 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -21.437 -7.239 -2.877 1.00 0.00 H new ATOM 0 HZ PHE A 19 -19.788 -8.912 -3.671 1.00 0.00 H new ATOM 295 N VAL A 20 -21.086 -2.054 -5.618 1.00 0.00 N ATOM 296 CA VAL A 20 -22.541 -1.871 -5.912 1.00 0.00 C ATOM 297 C VAL A 20 -22.725 -1.366 -7.347 1.00 0.00 C ATOM 298 O VAL A 20 -23.695 -1.689 -8.007 1.00 0.00 O ATOM 299 CB VAL A 20 -23.023 -0.827 -4.897 1.00 0.00 C ATOM 300 CG1 VAL A 20 -24.507 -0.520 -5.124 1.00 0.00 C ATOM 301 CG2 VAL A 20 -22.831 -1.371 -3.479 1.00 0.00 C ATOM 0 H VAL A 20 -20.653 -1.295 -5.092 1.00 0.00 H new ATOM 0 HA VAL A 20 -23.105 -2.800 -5.830 1.00 0.00 H new ATOM 0 HB VAL A 20 -22.444 0.088 -5.024 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -24.840 0.222 -4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -24.648 -0.131 -6.132 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -25.090 -1.433 -5.003 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -23.173 -0.631 -2.756 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -23.408 -2.288 -3.360 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -21.775 -1.582 -3.310 1.00 0.00 H new ATOM 311 N GLN A 21 -21.799 -0.578 -7.831 1.00 0.00 N ATOM 312 CA GLN A 21 -21.912 -0.048 -9.225 1.00 0.00 C ATOM 313 C GLN A 21 -21.716 -1.179 -10.238 1.00 0.00 C ATOM 314 O GLN A 21 -22.250 -1.145 -11.330 1.00 0.00 O ATOM 315 CB GLN A 21 -20.794 0.988 -9.356 1.00 0.00 C ATOM 316 CG GLN A 21 -21.338 2.374 -8.999 1.00 0.00 C ATOM 317 CD GLN A 21 -22.302 2.841 -10.091 1.00 0.00 C ATOM 318 OE1 GLN A 21 -23.468 2.499 -10.074 1.00 0.00 O ATOM 319 NE2 GLN A 21 -21.863 3.612 -11.047 1.00 0.00 N ATOM 0 H GLN A 21 -20.968 -0.278 -7.321 1.00 0.00 H new ATOM 0 HA GLN A 21 -22.892 0.388 -9.419 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -19.965 0.730 -8.697 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -20.403 0.990 -10.373 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -21.850 2.339 -8.038 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -20.517 3.083 -8.896 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -20.884 3.899 -11.062 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -22.498 3.928 -11.780 1.00 0.00 H new ATOM 328 N THR A 22 -20.952 -2.180 -9.879 1.00 0.00 N ATOM 329 CA THR A 22 -20.715 -3.320 -10.814 1.00 0.00 C ATOM 330 C THR A 22 -21.854 -4.338 -10.707 1.00 0.00 C ATOM 331 O THR A 22 -22.174 -5.025 -11.658 1.00 0.00 O ATOM 332 CB THR A 22 -19.395 -3.941 -10.354 1.00 0.00 C ATOM 333 OG1 THR A 22 -18.405 -2.927 -10.256 1.00 0.00 O ATOM 334 CG2 THR A 22 -18.947 -4.999 -11.363 1.00 0.00 C ATOM 0 H THR A 22 -20.482 -2.256 -8.977 1.00 0.00 H new ATOM 0 HA THR A 22 -20.674 -2.999 -11.855 1.00 0.00 H new ATOM 0 HB THR A 22 -19.534 -4.409 -9.379 1.00 0.00 H new ATOM 0 HG1 THR A 22 -18.194 -2.766 -9.313 1.00 0.00 H new ATOM 0 HG21 THR A 22 -18.006 -5.440 -11.034 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.707 -5.777 -11.436 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.808 -4.535 -12.339 1.00 0.00 H new ATOM 342 N SER A 23 -22.464 -4.437 -9.553 1.00 0.00 N ATOM 343 CA SER A 23 -23.585 -5.408 -9.373 1.00 0.00 C ATOM 344 C SER A 23 -24.919 -4.746 -9.726 1.00 0.00 C ATOM 345 O SER A 23 -25.848 -5.400 -10.165 1.00 0.00 O ATOM 346 CB SER A 23 -23.548 -5.784 -7.892 1.00 0.00 C ATOM 347 OG SER A 23 -22.231 -6.189 -7.544 1.00 0.00 O ATOM 0 H SER A 23 -22.233 -3.886 -8.726 1.00 0.00 H new ATOM 0 HA SER A 23 -23.484 -6.281 -10.018 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.853 -4.934 -7.281 1.00 0.00 H new ATOM 0 HB3 SER A 23 -24.254 -6.590 -7.692 1.00 0.00 H new ATOM 0 HG SER A 23 -21.864 -5.571 -6.878 1.00 0.00 H new ATOM 353 N ARG A 24 -25.019 -3.455 -9.540 1.00 0.00 N ATOM 354 CA ARG A 24 -26.292 -2.741 -9.865 1.00 0.00 C ATOM 355 C ARG A 24 -26.427 -2.572 -11.380 1.00 0.00 C ATOM 356 O ARG A 24 -27.508 -2.673 -11.929 1.00 0.00 O ATOM 357 CB ARG A 24 -26.174 -1.378 -9.180 1.00 0.00 C ATOM 358 CG ARG A 24 -27.503 -0.626 -9.295 1.00 0.00 C ATOM 359 CD ARG A 24 -27.446 0.346 -10.476 1.00 0.00 C ATOM 360 NE ARG A 24 -26.499 1.413 -10.050 1.00 0.00 N ATOM 361 CZ ARG A 24 -26.768 2.664 -10.305 1.00 0.00 C ATOM 362 NH1 ARG A 24 -27.635 3.308 -9.572 1.00 0.00 N ATOM 363 NH2 ARG A 24 -26.170 3.272 -11.293 1.00 0.00 N ATOM 0 H ARG A 24 -24.273 -2.862 -9.176 1.00 0.00 H new ATOM 0 HA ARG A 24 -27.171 -3.289 -9.525 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -25.909 -1.509 -8.131 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -25.375 -0.797 -9.640 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -28.321 -1.333 -9.433 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -27.704 -0.081 -8.373 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -27.098 -0.152 -11.381 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -28.431 0.757 -10.697 1.00 0.00 H new ATOM 0 HE ARG A 24 -25.640 1.166 -9.559 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -28.102 2.833 -8.800 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -27.845 4.286 -9.772 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -25.492 2.769 -11.866 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -26.380 4.250 -11.492 1.00 0.00 H new ATOM 377 N GLU A 25 -25.337 -2.314 -12.055 1.00 0.00 N ATOM 378 CA GLU A 25 -25.392 -2.137 -13.540 1.00 0.00 C ATOM 379 C GLU A 25 -25.775 -3.457 -14.212 1.00 0.00 C ATOM 380 O GLU A 25 -26.444 -3.475 -15.228 1.00 0.00 O ATOM 381 CB GLU A 25 -23.979 -1.716 -13.950 1.00 0.00 C ATOM 382 CG GLU A 25 -23.803 -0.216 -13.711 1.00 0.00 C ATOM 383 CD GLU A 25 -22.533 0.268 -14.415 1.00 0.00 C ATOM 384 OE1 GLU A 25 -21.473 -0.243 -14.098 1.00 0.00 O ATOM 385 OE2 GLU A 25 -22.645 1.142 -15.259 1.00 0.00 O ATOM 0 H GLU A 25 -24.409 -2.218 -11.643 1.00 0.00 H new ATOM 0 HA GLU A 25 -26.135 -1.398 -13.839 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -23.241 -2.275 -13.376 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -23.809 -1.950 -15.001 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -24.670 0.327 -14.088 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -23.739 -0.012 -12.642 1.00 0.00 H new ATOM 392 N GLU A 26 -25.354 -4.562 -13.651 1.00 0.00 N ATOM 393 CA GLU A 26 -25.689 -5.890 -14.250 1.00 0.00 C ATOM 394 C GLU A 26 -27.023 -6.424 -13.700 1.00 0.00 C ATOM 395 O GLU A 26 -27.462 -7.495 -14.076 1.00 0.00 O ATOM 396 CB GLU A 26 -24.538 -6.808 -13.837 1.00 0.00 C ATOM 397 CG GLU A 26 -24.563 -8.077 -14.691 1.00 0.00 C ATOM 398 CD GLU A 26 -23.395 -8.981 -14.298 1.00 0.00 C ATOM 399 OE1 GLU A 26 -22.273 -8.653 -14.650 1.00 0.00 O ATOM 400 OE2 GLU A 26 -23.640 -9.986 -13.652 1.00 0.00 O ATOM 0 H GLU A 26 -24.791 -4.602 -12.801 1.00 0.00 H new ATOM 0 HA GLU A 26 -25.805 -5.828 -15.332 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -23.586 -6.293 -13.961 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -24.626 -7.066 -12.782 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -25.507 -8.604 -14.551 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -24.496 -7.818 -15.748 1.00 0.00 H new ATOM 407 N HIS A 27 -27.671 -5.694 -12.820 1.00 0.00 N ATOM 408 CA HIS A 27 -28.970 -6.172 -12.259 1.00 0.00 C ATOM 409 C HIS A 27 -30.126 -5.757 -13.174 1.00 0.00 C ATOM 410 O HIS A 27 -30.924 -6.576 -13.587 1.00 0.00 O ATOM 411 CB HIS A 27 -29.089 -5.484 -10.898 1.00 0.00 C ATOM 412 CG HIS A 27 -30.290 -6.020 -10.169 1.00 0.00 C ATOM 413 ND1 HIS A 27 -30.231 -7.162 -9.387 1.00 0.00 N ATOM 414 CD2 HIS A 27 -31.589 -5.582 -10.094 1.00 0.00 C ATOM 415 CE1 HIS A 27 -31.458 -7.371 -8.879 1.00 0.00 C ATOM 416 NE2 HIS A 27 -32.324 -6.436 -9.278 1.00 0.00 N ATOM 0 H HIS A 27 -27.354 -4.790 -12.469 1.00 0.00 H new ATOM 0 HA HIS A 27 -29.009 -7.258 -12.172 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -28.187 -5.657 -10.311 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -29.182 -4.406 -11.030 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -31.981 -4.708 -10.593 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -31.712 -8.194 -8.228 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -33.312 -6.364 -9.036 1.00 0.00 H new ATOM 424 N LYS A 28 -30.218 -4.489 -13.490 1.00 0.00 N ATOM 425 CA LYS A 28 -31.323 -4.007 -14.378 1.00 0.00 C ATOM 426 C LYS A 28 -31.276 -4.726 -15.730 1.00 0.00 C ATOM 427 O LYS A 28 -32.286 -4.900 -16.385 1.00 0.00 O ATOM 428 CB LYS A 28 -31.068 -2.509 -14.562 1.00 0.00 C ATOM 429 CG LYS A 28 -32.346 -1.830 -15.060 1.00 0.00 C ATOM 430 CD LYS A 28 -32.004 -0.448 -15.620 1.00 0.00 C ATOM 431 CE LYS A 28 -33.285 0.378 -15.760 1.00 0.00 C ATOM 432 NZ LYS A 28 -32.953 1.436 -16.754 1.00 0.00 N ATOM 0 H LYS A 28 -29.575 -3.765 -13.171 1.00 0.00 H new ATOM 0 HA LYS A 28 -32.305 -4.204 -13.948 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -30.752 -2.065 -13.618 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -30.259 -2.352 -15.275 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -32.818 -2.440 -15.830 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -33.063 -1.736 -14.244 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -31.302 0.060 -14.959 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -31.515 -0.547 -16.589 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -34.117 -0.238 -16.102 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -33.581 0.812 -14.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -33.783 2.044 -16.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -32.162 2.011 -16.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -32.681 0.993 -17.655 1.00 0.00 H new ATOM 446 N LYS A 29 -30.108 -5.145 -16.147 1.00 0.00 N ATOM 447 CA LYS A 29 -29.986 -5.857 -17.459 1.00 0.00 C ATOM 448 C LYS A 29 -30.787 -7.162 -17.431 1.00 0.00 C ATOM 449 O LYS A 29 -31.231 -7.647 -18.454 1.00 0.00 O ATOM 450 CB LYS A 29 -28.493 -6.150 -17.621 1.00 0.00 C ATOM 451 CG LYS A 29 -27.784 -4.912 -18.172 1.00 0.00 C ATOM 452 CD LYS A 29 -26.317 -5.247 -18.448 1.00 0.00 C ATOM 453 CE LYS A 29 -25.701 -4.159 -19.331 1.00 0.00 C ATOM 454 NZ LYS A 29 -24.273 -4.552 -19.486 1.00 0.00 N ATOM 0 H LYS A 29 -29.233 -5.026 -15.637 1.00 0.00 H new ATOM 0 HA LYS A 29 -30.375 -5.262 -18.285 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -28.061 -6.432 -16.661 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -28.349 -6.994 -18.295 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -28.271 -4.578 -19.088 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -27.853 -4.092 -17.457 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -25.768 -5.323 -17.510 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -26.241 -6.216 -18.941 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -26.202 -4.104 -20.297 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -25.792 -3.176 -18.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -23.783 -3.853 -20.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -23.820 -4.590 -18.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -24.217 -5.488 -19.935 1.00 0.00 H new ATOM 468 N LYS A 30 -30.968 -7.735 -16.268 1.00 0.00 N ATOM 469 CA LYS A 30 -31.736 -9.016 -16.166 1.00 0.00 C ATOM 470 C LYS A 30 -32.843 -8.915 -15.107 1.00 0.00 C ATOM 471 O LYS A 30 -33.374 -9.916 -14.668 1.00 0.00 O ATOM 472 CB LYS A 30 -30.706 -10.081 -15.769 1.00 0.00 C ATOM 473 CG LYS A 30 -29.947 -9.646 -14.511 1.00 0.00 C ATOM 474 CD LYS A 30 -29.496 -10.884 -13.732 1.00 0.00 C ATOM 475 CE LYS A 30 -28.340 -11.561 -14.472 1.00 0.00 C ATOM 476 NZ LYS A 30 -27.877 -12.640 -13.557 1.00 0.00 N ATOM 0 H LYS A 30 -30.617 -7.371 -15.382 1.00 0.00 H new ATOM 0 HA LYS A 30 -32.231 -9.259 -17.106 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -31.207 -11.032 -15.589 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -30.005 -10.241 -16.588 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -29.083 -9.042 -14.786 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -30.586 -9.023 -13.885 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -29.182 -10.600 -12.728 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -30.328 -11.580 -13.621 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -28.668 -11.968 -15.428 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -27.539 -10.853 -14.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -27.084 -13.150 -13.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -27.565 -12.222 -12.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -28.658 -13.302 -13.378 1.00 0.00 H new ATOM 490 N HIS A 31 -33.202 -7.718 -14.701 1.00 0.00 N ATOM 491 CA HIS A 31 -34.281 -7.563 -13.677 1.00 0.00 C ATOM 492 C HIS A 31 -35.132 -6.318 -13.990 1.00 0.00 C ATOM 493 O HIS A 31 -35.230 -5.421 -13.175 1.00 0.00 O ATOM 494 CB HIS A 31 -33.548 -7.400 -12.344 1.00 0.00 C ATOM 495 CG HIS A 31 -32.826 -8.676 -12.010 1.00 0.00 C ATOM 496 ND1 HIS A 31 -33.442 -9.914 -12.091 1.00 0.00 N ATOM 497 CD2 HIS A 31 -31.539 -8.923 -11.605 1.00 0.00 C ATOM 498 CE1 HIS A 31 -32.533 -10.843 -11.743 1.00 0.00 C ATOM 499 NE2 HIS A 31 -31.355 -10.291 -11.437 1.00 0.00 N ATOM 0 H HIS A 31 -32.794 -6.845 -15.035 1.00 0.00 H new ATOM 0 HA HIS A 31 -34.961 -8.415 -13.660 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -32.839 -6.574 -12.405 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -34.258 -7.154 -11.554 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -34.409 -10.089 -12.365 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -30.783 -8.169 -11.441 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -32.731 -11.904 -11.714 1.00 0.00 H new ATOM 507 N PRO A 32 -35.727 -6.297 -15.164 1.00 0.00 N ATOM 508 CA PRO A 32 -36.569 -5.139 -15.557 1.00 0.00 C ATOM 509 C PRO A 32 -37.892 -5.153 -14.784 1.00 0.00 C ATOM 510 O PRO A 32 -38.470 -4.119 -14.510 1.00 0.00 O ATOM 511 CB PRO A 32 -36.810 -5.356 -17.048 1.00 0.00 C ATOM 512 CG PRO A 32 -36.654 -6.828 -17.258 1.00 0.00 C ATOM 513 CD PRO A 32 -35.679 -7.322 -16.222 1.00 0.00 C ATOM 0 HA PRO A 32 -36.101 -4.178 -15.342 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -37.805 -5.020 -17.339 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -36.095 -4.794 -17.649 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -37.613 -7.335 -17.157 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -36.287 -7.037 -18.263 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -35.965 -8.302 -15.841 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -34.675 -7.422 -16.635 1.00 0.00 H new ATOM 521 N ASP A 33 -38.371 -6.320 -14.434 1.00 0.00 N ATOM 522 CA ASP A 33 -39.657 -6.412 -13.678 1.00 0.00 C ATOM 523 C ASP A 33 -39.411 -6.186 -12.184 1.00 0.00 C ATOM 524 O ASP A 33 -40.137 -5.459 -11.531 1.00 0.00 O ATOM 525 CB ASP A 33 -40.166 -7.832 -13.929 1.00 0.00 C ATOM 526 CG ASP A 33 -41.636 -7.929 -13.516 1.00 0.00 C ATOM 527 OD1 ASP A 33 -42.451 -7.270 -14.140 1.00 0.00 O ATOM 528 OD2 ASP A 33 -41.920 -8.660 -12.582 1.00 0.00 O ATOM 0 H ASP A 33 -37.926 -7.215 -14.640 1.00 0.00 H new ATOM 0 HA ASP A 33 -40.377 -5.659 -13.998 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -40.056 -8.088 -14.983 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -39.570 -8.548 -13.363 1.00 0.00 H new ATOM 533 N SER A 34 -38.393 -6.805 -11.642 1.00 0.00 N ATOM 534 CA SER A 34 -38.092 -6.632 -10.189 1.00 0.00 C ATOM 535 C SER A 34 -37.350 -5.312 -9.956 1.00 0.00 C ATOM 536 O SER A 34 -36.593 -4.861 -10.794 1.00 0.00 O ATOM 537 CB SER A 34 -37.202 -7.818 -9.822 1.00 0.00 C ATOM 538 OG SER A 34 -36.222 -8.002 -10.835 1.00 0.00 O ATOM 0 H SER A 34 -37.756 -7.424 -12.144 1.00 0.00 H new ATOM 0 HA SER A 34 -38.997 -6.600 -9.582 1.00 0.00 H new ATOM 0 HB2 SER A 34 -36.719 -7.641 -8.861 1.00 0.00 H new ATOM 0 HB3 SER A 34 -37.805 -8.720 -9.715 1.00 0.00 H new ATOM 0 HG SER A 34 -35.648 -8.761 -10.601 1.00 0.00 H new ATOM 544 N SER A 35 -37.567 -4.694 -8.822 1.00 0.00 N ATOM 545 CA SER A 35 -36.882 -3.404 -8.524 1.00 0.00 C ATOM 546 C SER A 35 -35.575 -3.662 -7.771 1.00 0.00 C ATOM 547 O SER A 35 -35.201 -4.796 -7.532 1.00 0.00 O ATOM 548 CB SER A 35 -37.864 -2.629 -7.646 1.00 0.00 C ATOM 549 OG SER A 35 -37.387 -1.302 -7.465 1.00 0.00 O ATOM 0 H SER A 35 -38.191 -5.030 -8.089 1.00 0.00 H new ATOM 0 HA SER A 35 -36.623 -2.854 -9.429 1.00 0.00 H new ATOM 0 HB2 SER A 35 -38.850 -2.613 -8.110 1.00 0.00 H new ATOM 0 HB3 SER A 35 -37.974 -3.123 -6.681 1.00 0.00 H new ATOM 0 HG SER A 35 -38.016 -0.802 -6.904 1.00 0.00 H new ATOM 555 N VAL A 36 -34.881 -2.619 -7.395 1.00 0.00 N ATOM 556 CA VAL A 36 -33.597 -2.795 -6.654 1.00 0.00 C ATOM 557 C VAL A 36 -33.141 -1.457 -6.059 1.00 0.00 C ATOM 558 O VAL A 36 -32.117 -0.919 -6.435 1.00 0.00 O ATOM 559 CB VAL A 36 -32.599 -3.305 -7.702 1.00 0.00 C ATOM 560 CG1 VAL A 36 -32.439 -2.275 -8.825 1.00 0.00 C ATOM 561 CG2 VAL A 36 -31.243 -3.550 -7.038 1.00 0.00 C ATOM 0 H VAL A 36 -35.149 -1.651 -7.570 1.00 0.00 H new ATOM 0 HA VAL A 36 -33.690 -3.489 -5.819 1.00 0.00 H new ATOM 0 HB VAL A 36 -32.975 -4.236 -8.126 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -31.728 -2.648 -9.562 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -33.404 -2.106 -9.304 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -32.071 -1.337 -8.409 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -30.534 -3.912 -7.782 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -30.874 -2.618 -6.609 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -31.353 -4.294 -6.249 1.00 0.00 H new ATOM 571 N ASN A 37 -33.892 -0.924 -5.125 1.00 0.00 N ATOM 572 CA ASN A 37 -33.502 0.377 -4.492 1.00 0.00 C ATOM 573 C ASN A 37 -32.119 0.241 -3.849 1.00 0.00 C ATOM 574 O ASN A 37 -31.468 -0.778 -3.992 1.00 0.00 O ATOM 575 CB ASN A 37 -34.567 0.646 -3.427 1.00 0.00 C ATOM 576 CG ASN A 37 -35.937 0.772 -4.094 1.00 0.00 C ATOM 577 OD1 ASN A 37 -36.042 1.247 -5.208 1.00 0.00 O ATOM 578 ND2 ASN A 37 -37.001 0.366 -3.456 1.00 0.00 N ATOM 0 H ASN A 37 -34.758 -1.333 -4.773 1.00 0.00 H new ATOM 0 HA ASN A 37 -33.447 1.191 -5.215 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -34.579 -0.164 -2.698 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -34.330 1.561 -2.884 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -37.919 0.447 -3.892 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -36.914 -0.033 -2.521 1.00 0.00 H new ATOM 585 N PHE A 38 -31.663 1.249 -3.149 1.00 0.00 N ATOM 586 CA PHE A 38 -30.319 1.153 -2.510 1.00 0.00 C ATOM 587 C PHE A 38 -30.364 0.204 -1.318 1.00 0.00 C ATOM 588 O PHE A 38 -29.466 -0.570 -1.126 1.00 0.00 O ATOM 589 CB PHE A 38 -29.960 2.563 -2.047 1.00 0.00 C ATOM 590 CG PHE A 38 -29.720 3.437 -3.254 1.00 0.00 C ATOM 591 CD1 PHE A 38 -28.542 3.287 -3.994 1.00 0.00 C ATOM 592 CD2 PHE A 38 -30.671 4.391 -3.635 1.00 0.00 C ATOM 593 CE1 PHE A 38 -28.312 4.091 -5.117 1.00 0.00 C ATOM 594 CE2 PHE A 38 -30.440 5.195 -4.758 1.00 0.00 C ATOM 595 CZ PHE A 38 -29.261 5.044 -5.498 1.00 0.00 C ATOM 0 H PHE A 38 -32.160 2.126 -2.994 1.00 0.00 H new ATOM 0 HA PHE A 38 -29.579 0.764 -3.209 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -30.766 2.975 -1.439 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -29.069 2.537 -1.420 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -27.809 2.550 -3.699 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -31.581 4.507 -3.064 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -27.403 3.975 -5.688 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -31.172 5.932 -5.054 1.00 0.00 H new ATOM 0 HZ PHE A 38 -29.085 5.665 -6.364 1.00 0.00 H new ATOM 605 N ALA A 39 -31.392 0.261 -0.514 1.00 0.00 N ATOM 606 CA ALA A 39 -31.456 -0.650 0.673 1.00 0.00 C ATOM 607 C ALA A 39 -31.677 -2.094 0.240 1.00 0.00 C ATOM 608 O ALA A 39 -31.031 -2.995 0.738 1.00 0.00 O ATOM 609 CB ALA A 39 -32.627 -0.145 1.516 1.00 0.00 C ATOM 0 H ALA A 39 -32.186 0.892 -0.623 1.00 0.00 H new ATOM 0 HA ALA A 39 -30.523 -0.640 1.237 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -32.732 -0.768 2.404 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -32.441 0.886 1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -33.545 -0.192 0.929 1.00 0.00 H new ATOM 615 N GLU A 40 -32.568 -2.326 -0.685 1.00 0.00 N ATOM 616 CA GLU A 40 -32.805 -3.725 -1.145 1.00 0.00 C ATOM 617 C GLU A 40 -31.534 -4.292 -1.792 1.00 0.00 C ATOM 618 O GLU A 40 -31.409 -5.489 -1.973 1.00 0.00 O ATOM 619 CB GLU A 40 -33.938 -3.634 -2.169 1.00 0.00 C ATOM 620 CG GLU A 40 -35.278 -3.529 -1.439 1.00 0.00 C ATOM 621 CD GLU A 40 -35.679 -4.907 -0.908 1.00 0.00 C ATOM 622 OE1 GLU A 40 -35.158 -5.295 0.126 1.00 0.00 O ATOM 623 OE2 GLU A 40 -36.499 -5.550 -1.542 1.00 0.00 O ATOM 0 H GLU A 40 -33.139 -1.613 -1.140 1.00 0.00 H new ATOM 0 HA GLU A 40 -33.065 -4.388 -0.319 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -33.793 -2.766 -2.812 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -33.931 -4.513 -2.814 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -35.201 -2.819 -0.616 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -36.044 -3.151 -2.116 1.00 0.00 H new ATOM 630 N PHE A 41 -30.591 -3.445 -2.147 1.00 0.00 N ATOM 631 CA PHE A 41 -29.340 -3.948 -2.783 1.00 0.00 C ATOM 632 C PHE A 41 -28.135 -3.745 -1.857 1.00 0.00 C ATOM 633 O PHE A 41 -27.306 -4.623 -1.703 1.00 0.00 O ATOM 634 CB PHE A 41 -29.194 -3.127 -4.064 1.00 0.00 C ATOM 635 CG PHE A 41 -28.315 -3.865 -5.043 1.00 0.00 C ATOM 636 CD1 PHE A 41 -28.808 -4.987 -5.718 1.00 0.00 C ATOM 637 CD2 PHE A 41 -27.005 -3.427 -5.277 1.00 0.00 C ATOM 638 CE1 PHE A 41 -27.994 -5.672 -6.629 1.00 0.00 C ATOM 639 CE2 PHE A 41 -26.191 -4.111 -6.186 1.00 0.00 C ATOM 640 CZ PHE A 41 -26.685 -5.234 -6.862 1.00 0.00 C ATOM 0 H PHE A 41 -30.639 -2.434 -2.022 1.00 0.00 H new ATOM 0 HA PHE A 41 -29.385 -5.018 -2.988 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -30.174 -2.946 -4.505 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -28.762 -2.152 -3.836 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -29.817 -5.325 -5.536 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -26.624 -2.561 -4.756 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -28.376 -6.537 -7.151 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -25.181 -3.773 -6.367 1.00 0.00 H new ATOM 0 HZ PHE A 41 -26.056 -5.762 -7.563 1.00 0.00 H new ATOM 650 N SER A 42 -28.041 -2.601 -1.236 1.00 0.00 N ATOM 651 CA SER A 42 -26.901 -2.325 -0.304 1.00 0.00 C ATOM 652 C SER A 42 -26.866 -3.379 0.813 1.00 0.00 C ATOM 653 O SER A 42 -25.845 -3.596 1.438 1.00 0.00 O ATOM 654 CB SER A 42 -27.186 -0.934 0.274 1.00 0.00 C ATOM 655 OG SER A 42 -28.340 -0.996 1.101 1.00 0.00 O ATOM 0 H SER A 42 -28.709 -1.837 -1.333 1.00 0.00 H new ATOM 0 HA SER A 42 -25.935 -2.364 -0.808 1.00 0.00 H new ATOM 0 HB2 SER A 42 -26.330 -0.585 0.851 1.00 0.00 H new ATOM 0 HB3 SER A 42 -27.341 -0.217 -0.532 1.00 0.00 H new ATOM 0 HG SER A 42 -28.433 -0.156 1.597 1.00 0.00 H new ATOM 661 N LYS A 43 -27.975 -4.035 1.061 1.00 0.00 N ATOM 662 CA LYS A 43 -28.021 -5.076 2.127 1.00 0.00 C ATOM 663 C LYS A 43 -27.610 -6.440 1.563 1.00 0.00 C ATOM 664 O LYS A 43 -27.121 -7.294 2.280 1.00 0.00 O ATOM 665 CB LYS A 43 -29.484 -5.107 2.569 1.00 0.00 C ATOM 666 CG LYS A 43 -29.667 -4.229 3.808 1.00 0.00 C ATOM 667 CD LYS A 43 -30.992 -4.576 4.488 1.00 0.00 C ATOM 668 CE LYS A 43 -30.843 -5.892 5.256 1.00 0.00 C ATOM 669 NZ LYS A 43 -30.285 -5.503 6.581 1.00 0.00 N ATOM 0 H LYS A 43 -28.854 -3.890 0.565 1.00 0.00 H new ATOM 0 HA LYS A 43 -27.340 -4.856 2.949 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -30.125 -4.752 1.762 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -29.786 -6.131 2.789 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -28.839 -4.382 4.501 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -29.656 -3.176 3.526 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -31.284 -3.776 5.169 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -31.783 -4.665 3.743 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -31.803 -6.397 5.365 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -30.178 -6.581 4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -29.742 -6.297 6.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -29.661 -4.679 6.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -31.063 -5.261 7.228 1.00 0.00 H new ATOM 683 N LYS A 44 -27.819 -6.653 0.288 1.00 0.00 N ATOM 684 CA LYS A 44 -27.457 -7.967 -0.328 1.00 0.00 C ATOM 685 C LYS A 44 -25.982 -7.985 -0.740 1.00 0.00 C ATOM 686 O LYS A 44 -25.310 -8.991 -0.611 1.00 0.00 O ATOM 687 CB LYS A 44 -28.358 -8.085 -1.559 1.00 0.00 C ATOM 688 CG LYS A 44 -28.850 -9.529 -1.697 1.00 0.00 C ATOM 689 CD LYS A 44 -27.686 -10.428 -2.118 1.00 0.00 C ATOM 690 CE LYS A 44 -28.178 -11.872 -2.251 1.00 0.00 C ATOM 691 NZ LYS A 44 -28.240 -12.386 -0.855 1.00 0.00 N ATOM 0 H LYS A 44 -28.225 -5.973 -0.354 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.596 -8.796 0.366 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -29.207 -7.408 -1.467 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -27.810 -7.790 -2.454 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -29.266 -9.874 -0.751 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -29.650 -9.583 -2.435 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -27.272 -10.085 -3.066 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -26.885 -10.372 -1.381 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -29.156 -11.914 -2.731 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -27.498 -12.466 -2.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -27.622 -13.217 -0.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -27.923 -11.645 -0.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -29.218 -12.656 -0.627 1.00 0.00 H new ATOM 705 N CYS A 45 -25.475 -6.886 -1.243 1.00 0.00 N ATOM 706 CA CYS A 45 -24.042 -6.845 -1.672 1.00 0.00 C ATOM 707 C CYS A 45 -23.119 -7.154 -0.484 1.00 0.00 C ATOM 708 O CYS A 45 -22.059 -7.728 -0.645 1.00 0.00 O ATOM 709 CB CYS A 45 -23.808 -5.420 -2.194 1.00 0.00 C ATOM 710 SG CYS A 45 -24.115 -4.209 -0.878 1.00 0.00 S ATOM 0 H CYS A 45 -25.991 -6.016 -1.375 1.00 0.00 H new ATOM 0 HA CYS A 45 -23.825 -7.589 -2.438 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -22.785 -5.322 -2.557 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -24.466 -5.223 -3.040 1.00 0.00 H new ATOM 0 HG CYS A 45 -25.018 -4.671 -0.065 1.00 0.00 H new ATOM 716 N SER A 46 -23.520 -6.773 0.703 1.00 0.00 N ATOM 717 CA SER A 46 -22.670 -7.039 1.906 1.00 0.00 C ATOM 718 C SER A 46 -22.508 -8.546 2.121 1.00 0.00 C ATOM 719 O SER A 46 -21.466 -9.012 2.544 1.00 0.00 O ATOM 720 CB SER A 46 -23.400 -6.397 3.079 1.00 0.00 C ATOM 721 OG SER A 46 -22.535 -5.462 3.712 1.00 0.00 O ATOM 0 H SER A 46 -24.398 -6.290 0.892 1.00 0.00 H new ATOM 0 HA SER A 46 -21.667 -6.628 1.792 1.00 0.00 H new ATOM 0 HB2 SER A 46 -24.304 -5.897 2.731 1.00 0.00 H new ATOM 0 HB3 SER A 46 -23.713 -7.161 3.791 1.00 0.00 H new ATOM 0 HG SER A 46 -23.001 -5.045 4.467 1.00 0.00 H new ATOM 727 N GLU A 47 -23.531 -9.311 1.831 1.00 0.00 N ATOM 728 CA GLU A 47 -23.440 -10.793 2.014 1.00 0.00 C ATOM 729 C GLU A 47 -22.337 -11.364 1.119 1.00 0.00 C ATOM 730 O GLU A 47 -21.713 -12.356 1.444 1.00 0.00 O ATOM 731 CB GLU A 47 -24.807 -11.338 1.596 1.00 0.00 C ATOM 732 CG GLU A 47 -25.769 -11.269 2.783 1.00 0.00 C ATOM 733 CD GLU A 47 -25.441 -12.388 3.773 1.00 0.00 C ATOM 734 OE1 GLU A 47 -25.823 -13.516 3.509 1.00 0.00 O ATOM 735 OE2 GLU A 47 -24.814 -12.097 4.779 1.00 0.00 O ATOM 0 H GLU A 47 -24.425 -8.974 1.475 1.00 0.00 H new ATOM 0 HA GLU A 47 -23.195 -11.067 3.040 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -25.201 -10.759 0.761 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -24.710 -12.368 1.252 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -25.688 -10.299 3.274 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.798 -11.366 2.437 1.00 0.00 H new ATOM 742 N ARG A 48 -22.096 -10.739 -0.005 1.00 0.00 N ATOM 743 CA ARG A 48 -21.032 -11.233 -0.931 1.00 0.00 C ATOM 744 C ARG A 48 -19.719 -10.493 -0.663 1.00 0.00 C ATOM 745 O ARG A 48 -18.645 -11.035 -0.840 1.00 0.00 O ATOM 746 CB ARG A 48 -21.550 -10.916 -2.334 1.00 0.00 C ATOM 747 CG ARG A 48 -20.669 -11.614 -3.372 1.00 0.00 C ATOM 748 CD ARG A 48 -21.049 -13.095 -3.451 1.00 0.00 C ATOM 749 NE ARG A 48 -19.833 -13.775 -3.975 1.00 0.00 N ATOM 750 CZ ARG A 48 -19.748 -14.076 -5.242 1.00 0.00 C ATOM 751 NH1 ARG A 48 -19.771 -13.129 -6.140 1.00 0.00 N ATOM 752 NH2 ARG A 48 -19.638 -15.323 -5.611 1.00 0.00 N ATOM 0 H ARG A 48 -22.591 -9.906 -0.322 1.00 0.00 H new ATOM 0 HA ARG A 48 -20.831 -12.297 -0.803 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -22.583 -11.248 -2.436 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -21.544 -9.839 -2.501 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -20.794 -11.143 -4.347 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -19.618 -11.511 -3.101 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -21.328 -13.484 -2.472 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -21.903 -13.249 -4.111 1.00 0.00 H new ATOM 0 HE ARG A 48 -19.066 -14.006 -3.344 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -19.855 -12.154 -5.851 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -19.705 -13.364 -7.130 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -19.618 -16.063 -4.909 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -19.572 -15.558 -6.601 1.00 0.00 H new ATOM 766 N TRP A 49 -19.804 -9.259 -0.237 1.00 0.00 N ATOM 767 CA TRP A 49 -18.565 -8.470 0.048 1.00 0.00 C ATOM 768 C TRP A 49 -17.870 -9.017 1.300 1.00 0.00 C ATOM 769 O TRP A 49 -16.673 -9.228 1.313 1.00 0.00 O ATOM 770 CB TRP A 49 -19.048 -7.036 0.281 1.00 0.00 C ATOM 771 CG TRP A 49 -17.875 -6.139 0.514 1.00 0.00 C ATOM 772 CD1 TRP A 49 -17.648 -5.438 1.649 1.00 0.00 C ATOM 773 CD2 TRP A 49 -16.768 -5.833 -0.385 1.00 0.00 C ATOM 774 NE1 TRP A 49 -16.472 -4.723 1.505 1.00 0.00 N ATOM 775 CE2 TRP A 49 -15.893 -4.933 0.269 1.00 0.00 C ATOM 776 CE3 TRP A 49 -16.443 -6.247 -1.688 1.00 0.00 C ATOM 777 CZ2 TRP A 49 -14.736 -4.460 -0.351 1.00 0.00 C ATOM 778 CZ3 TRP A 49 -15.278 -5.771 -2.315 1.00 0.00 C ATOM 779 CH2 TRP A 49 -14.428 -4.880 -1.647 1.00 0.00 C ATOM 0 H TRP A 49 -20.679 -8.762 -0.073 1.00 0.00 H new ATOM 0 HA TRP A 49 -17.843 -8.525 -0.767 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -19.617 -6.689 -0.582 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -19.719 -7.003 1.139 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -18.281 -5.437 2.524 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -16.080 -4.115 2.224 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -17.092 -6.934 -2.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -14.083 -3.774 0.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -15.037 -6.094 -3.317 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -13.535 -4.518 -2.134 1.00 0.00 H new ATOM 790 N LYS A 50 -18.617 -9.244 2.350 1.00 0.00 N ATOM 791 CA LYS A 50 -18.008 -9.776 3.609 1.00 0.00 C ATOM 792 C LYS A 50 -17.508 -11.208 3.394 1.00 0.00 C ATOM 793 O LYS A 50 -16.588 -11.657 4.053 1.00 0.00 O ATOM 794 CB LYS A 50 -19.136 -9.754 4.643 1.00 0.00 C ATOM 795 CG LYS A 50 -19.180 -8.384 5.324 1.00 0.00 C ATOM 796 CD LYS A 50 -20.631 -8.014 5.637 1.00 0.00 C ATOM 797 CE LYS A 50 -21.149 -8.896 6.775 1.00 0.00 C ATOM 798 NZ LYS A 50 -22.436 -8.271 7.189 1.00 0.00 N ATOM 0 H LYS A 50 -19.624 -9.084 2.391 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.151 -9.184 3.930 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -20.091 -9.962 4.160 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.978 -10.536 5.386 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.593 -8.404 6.242 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -18.733 -7.630 4.676 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -20.697 -6.963 5.919 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -21.250 -8.146 4.750 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -21.298 -9.923 6.442 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -20.441 -8.928 7.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -22.854 -8.820 7.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -22.262 -7.296 7.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -23.092 -8.260 6.382 1.00 0.00 H new ATOM 812 N THR A 51 -18.109 -11.927 2.479 1.00 0.00 N ATOM 813 CA THR A 51 -17.676 -13.333 2.217 1.00 0.00 C ATOM 814 C THR A 51 -16.511 -13.362 1.220 1.00 0.00 C ATOM 815 O THR A 51 -15.736 -14.298 1.192 1.00 0.00 O ATOM 816 CB THR A 51 -18.906 -14.020 1.624 1.00 0.00 C ATOM 817 OG1 THR A 51 -19.377 -13.267 0.515 1.00 0.00 O ATOM 818 CG2 THR A 51 -20.003 -14.112 2.685 1.00 0.00 C ATOM 0 H THR A 51 -18.883 -11.599 1.901 1.00 0.00 H new ATOM 0 HA THR A 51 -17.325 -13.829 3.122 1.00 0.00 H new ATOM 0 HB THR A 51 -18.639 -15.024 1.295 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.090 -12.663 0.809 1.00 0.00 H new ATOM 0 HG21 THR A 51 -20.879 -14.602 2.261 1.00 0.00 H new ATOM 0 HG22 THR A 51 -19.640 -14.690 3.535 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.273 -13.110 3.017 1.00 0.00 H new ATOM 826 N MET A 52 -16.385 -12.345 0.401 1.00 0.00 N ATOM 827 CA MET A 52 -15.270 -12.313 -0.599 1.00 0.00 C ATOM 828 C MET A 52 -13.913 -12.406 0.110 1.00 0.00 C ATOM 829 O MET A 52 -13.780 -12.038 1.262 1.00 0.00 O ATOM 830 CB MET A 52 -15.407 -10.967 -1.314 1.00 0.00 C ATOM 831 CG MET A 52 -16.390 -11.105 -2.480 1.00 0.00 C ATOM 832 SD MET A 52 -15.490 -11.557 -3.984 1.00 0.00 S ATOM 833 CE MET A 52 -14.975 -9.887 -4.451 1.00 0.00 C ATOM 0 H MET A 52 -17.006 -11.536 0.382 1.00 0.00 H new ATOM 0 HA MET A 52 -15.323 -13.150 -1.295 1.00 0.00 H new ATOM 0 HB2 MET A 52 -15.758 -10.207 -0.616 1.00 0.00 H new ATOM 0 HB3 MET A 52 -14.435 -10.638 -1.681 1.00 0.00 H new ATOM 0 HG2 MET A 52 -17.138 -11.864 -2.250 1.00 0.00 H new ATOM 0 HG3 MET A 52 -16.924 -10.167 -2.632 1.00 0.00 H new ATOM 0 HE1 MET A 52 -14.583 -9.898 -5.468 1.00 0.00 H new ATOM 0 HE2 MET A 52 -15.831 -9.214 -4.399 1.00 0.00 H new ATOM 0 HE3 MET A 52 -14.200 -9.541 -3.767 1.00 0.00 H new ATOM 843 N SER A 53 -12.910 -12.899 -0.572 1.00 0.00 N ATOM 844 CA SER A 53 -11.560 -13.023 0.052 1.00 0.00 C ATOM 845 C SER A 53 -10.679 -11.834 -0.342 1.00 0.00 C ATOM 846 O SER A 53 -11.073 -10.994 -1.127 1.00 0.00 O ATOM 847 CB SER A 53 -10.984 -14.323 -0.506 1.00 0.00 C ATOM 848 OG SER A 53 -10.998 -14.271 -1.927 1.00 0.00 O ATOM 0 H SER A 53 -12.970 -13.222 -1.538 1.00 0.00 H new ATOM 0 HA SER A 53 -11.610 -13.032 1.141 1.00 0.00 H new ATOM 0 HB2 SER A 53 -9.965 -14.467 -0.146 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.569 -15.173 -0.156 1.00 0.00 H new ATOM 0 HG SER A 53 -10.627 -15.103 -2.288 1.00 0.00 H new ATOM 854 N ALA A 54 -9.490 -11.764 0.201 1.00 0.00 N ATOM 855 CA ALA A 54 -8.571 -10.632 -0.135 1.00 0.00 C ATOM 856 C ALA A 54 -8.091 -10.746 -1.585 1.00 0.00 C ATOM 857 O ALA A 54 -7.756 -9.759 -2.213 1.00 0.00 O ATOM 858 CB ALA A 54 -7.392 -10.771 0.831 1.00 0.00 C ATOM 0 H ALA A 54 -9.115 -12.443 0.864 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.064 -9.664 -0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.673 -9.973 0.645 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.753 -10.703 1.857 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.909 -11.737 0.680 1.00 0.00 H new ATOM 864 N LYS A 55 -8.056 -11.942 -2.121 1.00 0.00 N ATOM 865 CA LYS A 55 -7.599 -12.119 -3.534 1.00 0.00 C ATOM 866 C LYS A 55 -8.627 -11.513 -4.489 1.00 0.00 C ATOM 867 O LYS A 55 -8.290 -11.020 -5.549 1.00 0.00 O ATOM 868 CB LYS A 55 -7.497 -13.633 -3.742 1.00 0.00 C ATOM 869 CG LYS A 55 -6.126 -14.126 -3.270 1.00 0.00 C ATOM 870 CD LYS A 55 -5.615 -15.214 -4.218 1.00 0.00 C ATOM 871 CE LYS A 55 -6.522 -16.444 -4.121 1.00 0.00 C ATOM 872 NZ LYS A 55 -5.980 -17.399 -5.128 1.00 0.00 N ATOM 0 H LYS A 55 -8.324 -12.802 -1.642 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.647 -11.624 -3.726 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.287 -14.140 -3.188 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.639 -13.876 -4.795 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.421 -13.296 -3.240 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.199 -14.519 -2.256 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.599 -14.841 -5.242 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.591 -15.483 -3.961 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.501 -16.872 -3.119 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.559 -16.188 -4.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.549 -18.269 -5.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.018 -16.966 -6.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.993 -17.629 -4.893 1.00 0.00 H new ATOM 886 N GLU A 56 -9.879 -11.542 -4.113 1.00 0.00 N ATOM 887 CA GLU A 56 -10.945 -10.966 -4.983 1.00 0.00 C ATOM 888 C GLU A 56 -11.258 -9.535 -4.540 1.00 0.00 C ATOM 889 O GLU A 56 -11.419 -8.645 -5.354 1.00 0.00 O ATOM 890 CB GLU A 56 -12.156 -11.872 -4.770 1.00 0.00 C ATOM 891 CG GLU A 56 -11.992 -13.142 -5.605 1.00 0.00 C ATOM 892 CD GLU A 56 -13.337 -13.865 -5.706 1.00 0.00 C ATOM 893 OE1 GLU A 56 -13.809 -14.341 -4.687 1.00 0.00 O ATOM 894 OE2 GLU A 56 -13.872 -13.931 -6.800 1.00 0.00 O ATOM 0 H GLU A 56 -10.210 -11.943 -3.235 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.652 -10.920 -6.032 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.252 -12.127 -3.715 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.069 -11.350 -5.056 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -11.627 -12.890 -6.601 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.249 -13.796 -5.149 1.00 0.00 H new ATOM 901 N LYS A 57 -11.336 -9.313 -3.254 1.00 0.00 N ATOM 902 CA LYS A 57 -11.631 -7.941 -2.741 1.00 0.00 C ATOM 903 C LYS A 57 -10.534 -6.963 -3.177 1.00 0.00 C ATOM 904 O LYS A 57 -10.755 -5.769 -3.258 1.00 0.00 O ATOM 905 CB LYS A 57 -11.648 -8.076 -1.216 1.00 0.00 C ATOM 906 CG LYS A 57 -13.016 -8.591 -0.764 1.00 0.00 C ATOM 907 CD LYS A 57 -13.334 -8.039 0.628 1.00 0.00 C ATOM 908 CE LYS A 57 -12.490 -8.771 1.673 1.00 0.00 C ATOM 909 NZ LYS A 57 -13.039 -8.331 2.986 1.00 0.00 N ATOM 0 H LYS A 57 -11.208 -10.024 -2.534 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.575 -7.555 -3.126 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.865 -8.761 -0.892 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.439 -7.112 -0.753 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.785 -8.284 -1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.018 -9.681 -0.744 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.127 -6.969 0.663 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.394 -8.166 0.848 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.566 -9.852 1.555 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.435 -8.513 1.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.511 -8.791 3.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.947 -7.299 3.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.043 -8.596 3.049 1.00 0.00 H new ATOM 923 N SER A 58 -9.354 -7.461 -3.456 1.00 0.00 N ATOM 924 CA SER A 58 -8.238 -6.560 -3.885 1.00 0.00 C ATOM 925 C SER A 58 -8.593 -5.870 -5.205 1.00 0.00 C ATOM 926 O SER A 58 -8.172 -4.758 -5.464 1.00 0.00 O ATOM 927 CB SER A 58 -7.027 -7.476 -4.072 1.00 0.00 C ATOM 928 OG SER A 58 -7.362 -8.520 -4.976 1.00 0.00 O ATOM 0 H SER A 58 -9.115 -8.451 -3.405 1.00 0.00 H new ATOM 0 HA SER A 58 -8.044 -5.775 -3.154 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.181 -6.905 -4.455 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.721 -7.894 -3.113 1.00 0.00 H new ATOM 0 HG SER A 58 -6.587 -9.108 -5.099 1.00 0.00 H new ATOM 934 N LYS A 59 -9.364 -6.521 -6.039 1.00 0.00 N ATOM 935 CA LYS A 59 -9.750 -5.906 -7.346 1.00 0.00 C ATOM 936 C LYS A 59 -10.552 -4.622 -7.110 1.00 0.00 C ATOM 937 O LYS A 59 -10.511 -3.702 -7.905 1.00 0.00 O ATOM 938 CB LYS A 59 -10.615 -6.956 -8.048 1.00 0.00 C ATOM 939 CG LYS A 59 -10.787 -6.573 -9.520 1.00 0.00 C ATOM 940 CD LYS A 59 -11.963 -7.350 -10.115 1.00 0.00 C ATOM 941 CE LYS A 59 -12.423 -6.670 -11.406 1.00 0.00 C ATOM 942 NZ LYS A 59 -13.776 -7.231 -11.675 1.00 0.00 N ATOM 0 H LYS A 59 -9.743 -7.453 -5.871 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.880 -5.634 -7.943 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.150 -7.938 -7.969 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.589 -7.024 -7.563 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.963 -5.501 -9.610 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.874 -6.794 -10.073 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.667 -8.379 -10.319 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.785 -7.391 -9.400 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.461 -5.587 -11.290 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -11.738 -6.879 -12.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.158 -6.812 -12.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.708 -8.263 -11.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.408 -7.011 -10.879 1.00 0.00 H new ATOM 956 N PHE A 60 -11.278 -4.558 -6.024 1.00 0.00 N ATOM 957 CA PHE A 60 -12.087 -3.338 -5.727 1.00 0.00 C ATOM 958 C PHE A 60 -11.258 -2.339 -4.914 1.00 0.00 C ATOM 959 O PHE A 60 -11.462 -1.142 -4.993 1.00 0.00 O ATOM 960 CB PHE A 60 -13.276 -3.840 -4.909 1.00 0.00 C ATOM 961 CG PHE A 60 -14.245 -4.558 -5.818 1.00 0.00 C ATOM 962 CD1 PHE A 60 -15.182 -3.829 -6.559 1.00 0.00 C ATOM 963 CD2 PHE A 60 -14.204 -5.954 -5.920 1.00 0.00 C ATOM 964 CE1 PHE A 60 -16.079 -4.494 -7.402 1.00 0.00 C ATOM 965 CE2 PHE A 60 -15.102 -6.620 -6.764 1.00 0.00 C ATOM 966 CZ PHE A 60 -16.039 -5.890 -7.504 1.00 0.00 C ATOM 0 H PHE A 60 -11.346 -5.300 -5.328 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.405 -2.823 -6.633 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.932 -4.512 -4.123 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -13.773 -3.003 -4.418 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -15.213 -2.752 -6.480 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -13.481 -6.517 -5.348 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -16.802 -3.931 -7.974 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.071 -7.697 -6.844 1.00 0.00 H new ATOM 0 HZ PHE A 60 -16.732 -6.404 -8.154 1.00 0.00 H new ATOM 976 N GLU A 61 -10.325 -2.825 -4.136 1.00 0.00 N ATOM 977 CA GLU A 61 -9.477 -1.910 -3.313 1.00 0.00 C ATOM 978 C GLU A 61 -8.356 -1.317 -4.170 1.00 0.00 C ATOM 979 O GLU A 61 -7.902 -0.212 -3.934 1.00 0.00 O ATOM 980 CB GLU A 61 -8.896 -2.793 -2.207 1.00 0.00 C ATOM 981 CG GLU A 61 -8.353 -1.911 -1.081 1.00 0.00 C ATOM 982 CD GLU A 61 -7.866 -2.794 0.069 1.00 0.00 C ATOM 983 OE1 GLU A 61 -8.678 -3.130 0.916 1.00 0.00 O ATOM 984 OE2 GLU A 61 -6.690 -3.118 0.086 1.00 0.00 O ATOM 0 H GLU A 61 -10.113 -3.818 -4.035 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.046 -1.073 -2.908 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.664 -3.462 -1.820 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.100 -3.420 -2.608 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.535 -1.293 -1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.130 -1.233 -0.729 1.00 0.00 H new ATOM 991 N ASP A 62 -7.910 -2.044 -5.163 1.00 0.00 N ATOM 992 CA ASP A 62 -6.816 -1.529 -6.043 1.00 0.00 C ATOM 993 C ASP A 62 -7.358 -0.445 -6.979 1.00 0.00 C ATOM 994 O ASP A 62 -6.640 0.448 -7.387 1.00 0.00 O ATOM 995 CB ASP A 62 -6.342 -2.742 -6.846 1.00 0.00 C ATOM 996 CG ASP A 62 -5.018 -2.412 -7.538 1.00 0.00 C ATOM 997 OD1 ASP A 62 -4.031 -2.253 -6.839 1.00 0.00 O ATOM 998 OD2 ASP A 62 -5.014 -2.322 -8.755 1.00 0.00 O ATOM 0 H ASP A 62 -8.256 -2.973 -5.403 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.005 -1.080 -5.470 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.216 -3.601 -6.187 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.093 -3.017 -7.587 1.00 0.00 H new ATOM 1003 N MET A 63 -8.620 -0.518 -7.318 1.00 0.00 N ATOM 1004 CA MET A 63 -9.219 0.504 -8.226 1.00 0.00 C ATOM 1005 C MET A 63 -9.647 1.737 -7.425 1.00 0.00 C ATOM 1006 O MET A 63 -9.660 2.843 -7.934 1.00 0.00 O ATOM 1007 CB MET A 63 -10.437 -0.181 -8.846 1.00 0.00 C ATOM 1008 CG MET A 63 -9.995 -1.021 -10.046 1.00 0.00 C ATOM 1009 SD MET A 63 -11.420 -1.343 -11.115 1.00 0.00 S ATOM 1010 CE MET A 63 -11.913 -2.916 -10.368 1.00 0.00 C ATOM 0 H MET A 63 -9.263 -1.245 -7.003 1.00 0.00 H new ATOM 0 HA MET A 63 -8.514 0.846 -8.984 1.00 0.00 H new ATOM 0 HB2 MET A 63 -10.927 -0.814 -8.106 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.167 0.565 -9.160 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.219 -0.497 -10.604 1.00 0.00 H new ATOM 0 HG3 MET A 63 -9.562 -1.962 -9.705 1.00 0.00 H new ATOM 0 HE1 MET A 63 -12.724 -3.356 -10.948 1.00 0.00 H new ATOM 0 HE2 MET A 63 -11.062 -3.597 -10.359 1.00 0.00 H new ATOM 0 HE3 MET A 63 -12.250 -2.744 -9.346 1.00 0.00 H new ATOM 1020 N ALA A 64 -9.995 1.552 -6.176 1.00 0.00 N ATOM 1021 CA ALA A 64 -10.422 2.710 -5.333 1.00 0.00 C ATOM 1022 C ALA A 64 -9.198 3.498 -4.861 1.00 0.00 C ATOM 1023 O ALA A 64 -9.221 4.713 -4.792 1.00 0.00 O ATOM 1024 CB ALA A 64 -11.153 2.089 -4.142 1.00 0.00 C ATOM 0 H ALA A 64 -10.002 0.648 -5.704 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.057 3.406 -5.880 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.498 2.879 -3.475 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.009 1.516 -4.499 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.474 1.429 -3.602 1.00 0.00 H new ATOM 1030 N LYS A 65 -8.131 2.813 -4.536 1.00 0.00 N ATOM 1031 CA LYS A 65 -6.897 3.517 -4.067 1.00 0.00 C ATOM 1032 C LYS A 65 -6.304 4.353 -5.202 1.00 0.00 C ATOM 1033 O LYS A 65 -5.671 5.367 -4.972 1.00 0.00 O ATOM 1034 CB LYS A 65 -5.928 2.404 -3.658 1.00 0.00 C ATOM 1035 CG LYS A 65 -4.788 2.998 -2.830 1.00 0.00 C ATOM 1036 CD LYS A 65 -5.201 3.057 -1.358 1.00 0.00 C ATOM 1037 CE LYS A 65 -3.987 3.414 -0.499 1.00 0.00 C ATOM 1038 NZ LYS A 65 -4.284 2.841 0.843 1.00 0.00 N ATOM 0 H LYS A 65 -8.060 1.796 -4.575 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.102 4.198 -3.241 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.454 1.644 -3.080 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.529 1.911 -4.544 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.889 2.392 -2.942 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.545 3.998 -3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.988 3.799 -1.220 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.610 2.096 -1.046 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.072 2.993 -0.914 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.845 4.493 -0.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.496 3.045 1.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.157 3.266 1.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.407 1.812 0.761 1.00 0.00 H new ATOM 1052 N SER A 66 -6.504 3.934 -6.427 1.00 0.00 N ATOM 1053 CA SER A 66 -5.954 4.703 -7.586 1.00 0.00 C ATOM 1054 C SER A 66 -6.621 6.077 -7.671 1.00 0.00 C ATOM 1055 O SER A 66 -5.959 7.097 -7.704 1.00 0.00 O ATOM 1056 CB SER A 66 -6.291 3.867 -8.821 1.00 0.00 C ATOM 1057 OG SER A 66 -5.698 4.463 -9.968 1.00 0.00 O ATOM 0 H SER A 66 -7.024 3.092 -6.675 1.00 0.00 H new ATOM 0 HA SER A 66 -4.881 4.873 -7.493 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.924 2.848 -8.696 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.372 3.804 -8.948 1.00 0.00 H new ATOM 0 HG SER A 66 -5.911 3.928 -10.761 1.00 0.00 H new ATOM 1063 N ASP A 67 -7.930 6.108 -7.705 1.00 0.00 N ATOM 1064 CA ASP A 67 -8.651 7.416 -7.786 1.00 0.00 C ATOM 1065 C ASP A 67 -8.569 8.148 -6.444 1.00 0.00 C ATOM 1066 O ASP A 67 -8.596 9.363 -6.388 1.00 0.00 O ATOM 1067 CB ASP A 67 -10.103 7.054 -8.111 1.00 0.00 C ATOM 1068 CG ASP A 67 -10.841 8.301 -8.604 1.00 0.00 C ATOM 1069 OD1 ASP A 67 -10.987 9.226 -7.822 1.00 0.00 O ATOM 1070 OD2 ASP A 67 -11.248 8.308 -9.754 1.00 0.00 O ATOM 0 H ASP A 67 -8.531 5.284 -7.680 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.220 8.078 -8.537 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.133 6.275 -8.873 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.596 6.653 -7.226 1.00 0.00 H new ATOM 1075 N LYS A 68 -8.467 7.415 -5.364 1.00 0.00 N ATOM 1076 CA LYS A 68 -8.380 8.061 -4.018 1.00 0.00 C ATOM 1077 C LYS A 68 -7.043 8.792 -3.867 1.00 0.00 C ATOM 1078 O LYS A 68 -6.937 9.767 -3.148 1.00 0.00 O ATOM 1079 CB LYS A 68 -8.479 6.913 -3.012 1.00 0.00 C ATOM 1080 CG LYS A 68 -8.567 7.480 -1.594 1.00 0.00 C ATOM 1081 CD LYS A 68 -8.173 6.398 -0.586 1.00 0.00 C ATOM 1082 CE LYS A 68 -9.302 5.370 -0.472 1.00 0.00 C ATOM 1083 NZ LYS A 68 -9.005 4.611 0.774 1.00 0.00 N ATOM 0 H LYS A 68 -8.440 6.395 -5.356 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.167 8.800 -3.867 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.357 6.303 -3.226 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.609 6.262 -3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.908 8.342 -1.494 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.580 7.828 -1.392 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.252 5.909 -0.903 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.976 6.847 0.387 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.275 5.857 -0.415 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.325 4.711 -1.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.736 3.886 0.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.075 4.153 0.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.996 5.263 1.584 1.00 0.00 H new ATOM 1097 N ALA A 69 -6.024 8.324 -4.543 1.00 0.00 N ATOM 1098 CA ALA A 69 -4.687 8.984 -4.446 1.00 0.00 C ATOM 1099 C ALA A 69 -4.456 9.896 -5.655 1.00 0.00 C ATOM 1100 O ALA A 69 -3.731 10.870 -5.576 1.00 0.00 O ATOM 1101 CB ALA A 69 -3.678 7.836 -4.440 1.00 0.00 C ATOM 0 H ALA A 69 -6.061 7.512 -5.159 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.599 9.609 -3.557 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.668 8.240 -4.371 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.869 7.188 -3.585 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.776 7.260 -5.360 1.00 0.00 H new ATOM 1107 N ARG A 70 -5.065 9.584 -6.772 1.00 0.00 N ATOM 1108 CA ARG A 70 -4.883 10.430 -7.993 1.00 0.00 C ATOM 1109 C ARG A 70 -5.367 11.858 -7.726 1.00 0.00 C ATOM 1110 O ARG A 70 -4.826 12.813 -8.252 1.00 0.00 O ATOM 1111 CB ARG A 70 -5.740 9.768 -9.074 1.00 0.00 C ATOM 1112 CG ARG A 70 -5.515 10.477 -10.410 1.00 0.00 C ATOM 1113 CD ARG A 70 -4.278 9.894 -11.097 1.00 0.00 C ATOM 1114 NE ARG A 70 -4.405 10.296 -12.525 1.00 0.00 N ATOM 1115 CZ ARG A 70 -4.754 9.415 -13.421 1.00 0.00 C ATOM 1116 NH1 ARG A 70 -5.950 8.893 -13.392 1.00 0.00 N ATOM 1117 NH2 ARG A 70 -3.908 9.056 -14.349 1.00 0.00 N ATOM 0 H ARG A 70 -5.681 8.780 -6.892 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.837 10.499 -8.291 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.481 8.713 -9.162 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.793 9.816 -8.798 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.390 10.356 -11.049 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.384 11.547 -10.248 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.361 10.285 -10.657 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.244 8.809 -10.994 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.219 11.260 -12.802 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.612 9.174 -12.669 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.223 8.204 -14.093 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.974 9.465 -14.373 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -4.182 8.367 -15.050 1.00 0.00 H new ATOM 1131 N TYR A 71 -6.383 12.007 -6.913 1.00 0.00 N ATOM 1132 CA TYR A 71 -6.910 13.374 -6.608 1.00 0.00 C ATOM 1133 C TYR A 71 -5.828 14.221 -5.931 1.00 0.00 C ATOM 1134 O TYR A 71 -5.823 15.433 -6.036 1.00 0.00 O ATOM 1135 CB TYR A 71 -8.087 13.151 -5.655 1.00 0.00 C ATOM 1136 CG TYR A 71 -8.915 14.410 -5.575 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -9.966 14.616 -6.476 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -8.631 15.373 -4.599 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -10.733 15.785 -6.402 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -9.398 16.542 -4.523 1.00 0.00 C ATOM 1141 CZ TYR A 71 -10.449 16.748 -5.426 1.00 0.00 C ATOM 1142 OH TYR A 71 -11.206 17.900 -5.352 1.00 0.00 O ATOM 0 H TYR A 71 -6.871 11.242 -6.447 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.214 13.905 -7.510 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -8.701 12.321 -6.006 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.721 12.880 -4.665 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -10.185 13.873 -7.229 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.820 15.214 -3.904 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.544 15.944 -7.098 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -9.180 17.284 -3.769 1.00 0.00 H new ATOM 0 HH TYR A 71 -10.877 18.461 -4.619 1.00 0.00 H new ATOM 1152 N ASP A 72 -4.914 13.589 -5.237 1.00 0.00 N ATOM 1153 CA ASP A 72 -3.829 14.353 -4.548 1.00 0.00 C ATOM 1154 C ASP A 72 -2.750 14.767 -5.554 1.00 0.00 C ATOM 1155 O ASP A 72 -2.080 15.767 -5.378 1.00 0.00 O ATOM 1156 CB ASP A 72 -3.253 13.383 -3.515 1.00 0.00 C ATOM 1157 CG ASP A 72 -2.389 14.156 -2.517 1.00 0.00 C ATOM 1158 OD1 ASP A 72 -2.940 14.955 -1.778 1.00 0.00 O ATOM 1159 OD2 ASP A 72 -1.188 13.934 -2.507 1.00 0.00 O ATOM 0 H ASP A 72 -4.873 12.577 -5.118 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.200 15.268 -4.086 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.060 12.870 -2.993 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.657 12.617 -4.012 1.00 0.00 H new ATOM 1164 N ARG A 73 -2.581 14.005 -6.604 1.00 0.00 N ATOM 1165 CA ARG A 73 -1.547 14.347 -7.626 1.00 0.00 C ATOM 1166 C ARG A 73 -2.215 14.775 -8.934 1.00 0.00 C ATOM 1167 O ARG A 73 -1.737 14.476 -10.012 1.00 0.00 O ATOM 1168 CB ARG A 73 -0.748 13.059 -7.828 1.00 0.00 C ATOM 1169 CG ARG A 73 0.322 12.945 -6.740 1.00 0.00 C ATOM 1170 CD ARG A 73 1.370 11.911 -7.159 1.00 0.00 C ATOM 1171 NE ARG A 73 0.851 10.611 -6.649 1.00 0.00 N ATOM 1172 CZ ARG A 73 1.506 9.965 -5.725 1.00 0.00 C ATOM 1173 NH1 ARG A 73 1.272 10.210 -4.464 1.00 0.00 N ATOM 1174 NH2 ARG A 73 2.398 9.072 -6.060 1.00 0.00 N ATOM 0 H ARG A 73 -3.116 13.159 -6.798 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.913 15.175 -7.309 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.413 12.196 -7.790 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.281 13.059 -8.813 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.796 13.913 -6.578 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.135 12.652 -5.795 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.493 11.890 -8.242 1.00 0.00 H new ATOM 0 HD3 ARG A 73 2.346 12.142 -6.732 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.017 10.226 -7.023 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.576 10.908 -4.201 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.785 9.704 -3.742 1.00 0.00 H new ATOM 0 HH21 ARG A 73 2.582 8.880 -7.045 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.910 8.567 -5.337 1.00 0.00 H new ATOM 1188 N GLU A 74 -3.318 15.476 -8.845 1.00 0.00 N ATOM 1189 CA GLU A 74 -4.026 15.930 -10.080 1.00 0.00 C ATOM 1190 C GLU A 74 -4.355 17.423 -9.982 1.00 0.00 C ATOM 1191 O GLU A 74 -4.183 18.167 -10.929 1.00 0.00 O ATOM 1192 CB GLU A 74 -5.308 15.100 -10.131 1.00 0.00 C ATOM 1193 CG GLU A 74 -6.077 15.425 -11.412 1.00 0.00 C ATOM 1194 CD GLU A 74 -6.923 14.217 -11.821 1.00 0.00 C ATOM 1195 OE1 GLU A 74 -7.490 13.592 -10.940 1.00 0.00 O ATOM 1196 OE2 GLU A 74 -6.990 13.939 -13.007 1.00 0.00 O ATOM 0 H GLU A 74 -3.759 15.754 -7.968 1.00 0.00 H new ATOM 0 HA GLU A 74 -3.420 15.797 -10.976 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.067 14.037 -10.099 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -5.927 15.313 -9.259 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.717 16.293 -11.254 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -5.381 15.682 -12.211 1.00 0.00 H new ATOM 1203 N MET A 75 -4.828 17.860 -8.843 1.00 0.00 N ATOM 1204 CA MET A 75 -5.173 19.304 -8.673 1.00 0.00 C ATOM 1205 C MET A 75 -3.943 20.092 -8.212 1.00 0.00 C ATOM 1206 O MET A 75 -3.811 21.268 -8.492 1.00 0.00 O ATOM 1207 CB MET A 75 -6.259 19.327 -7.597 1.00 0.00 C ATOM 1208 CG MET A 75 -7.581 18.844 -8.196 1.00 0.00 C ATOM 1209 SD MET A 75 -8.270 20.137 -9.257 1.00 0.00 S ATOM 1210 CE MET A 75 -8.929 21.186 -7.939 1.00 0.00 C ATOM 0 H MET A 75 -4.991 17.278 -8.021 1.00 0.00 H new ATOM 0 HA MET A 75 -5.511 19.760 -9.603 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.971 18.689 -6.761 1.00 0.00 H new ATOM 0 HB3 MET A 75 -6.374 20.337 -7.202 1.00 0.00 H new ATOM 0 HG2 MET A 75 -7.420 17.933 -8.772 1.00 0.00 H new ATOM 0 HG3 MET A 75 -8.285 18.598 -7.401 1.00 0.00 H new ATOM 0 HE1 MET A 75 -10.015 21.231 -8.019 1.00 0.00 H new ATOM 0 HE2 MET A 75 -8.653 20.770 -6.970 1.00 0.00 H new ATOM 0 HE3 MET A 75 -8.516 22.191 -8.033 1.00 0.00 H new ATOM 1220 N LYS A 76 -3.046 19.450 -7.509 1.00 0.00 N ATOM 1221 CA LYS A 76 -1.820 20.154 -7.025 1.00 0.00 C ATOM 1222 C LYS A 76 -0.780 20.237 -8.147 1.00 0.00 C ATOM 1223 O LYS A 76 -0.234 21.288 -8.420 1.00 0.00 O ATOM 1224 CB LYS A 76 -1.297 19.298 -5.871 1.00 0.00 C ATOM 1225 CG LYS A 76 -2.220 19.454 -4.660 1.00 0.00 C ATOM 1226 CD LYS A 76 -1.920 20.779 -3.956 1.00 0.00 C ATOM 1227 CE LYS A 76 -2.842 20.934 -2.745 1.00 0.00 C ATOM 1228 NZ LYS A 76 -2.206 21.993 -1.913 1.00 0.00 N ATOM 0 H LYS A 76 -3.110 18.466 -7.248 1.00 0.00 H new ATOM 0 HA LYS A 76 -2.030 21.176 -6.710 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.249 18.252 -6.173 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.283 19.601 -5.610 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.262 19.427 -4.978 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.076 18.623 -3.970 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.878 20.806 -3.639 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.065 21.610 -4.646 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -3.849 21.221 -3.049 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.931 19.998 -2.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.780 22.157 -1.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.252 21.688 -1.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.141 22.874 -2.462 1.00 0.00 H new ATOM 1242 N ASN A 77 -0.505 19.133 -8.793 1.00 0.00 N ATOM 1243 CA ASN A 77 0.499 19.135 -9.900 1.00 0.00 C ATOM 1244 C ASN A 77 -0.211 19.140 -11.257 1.00 0.00 C ATOM 1245 O ASN A 77 -1.251 18.512 -11.363 1.00 0.00 O ATOM 1246 CB ASN A 77 1.295 17.844 -9.715 1.00 0.00 C ATOM 1247 CG ASN A 77 2.581 17.914 -10.540 1.00 0.00 C ATOM 1248 OD1 ASN A 77 2.688 17.288 -11.575 1.00 0.00 O ATOM 1249 ND2 ASN A 77 3.570 18.656 -10.122 1.00 0.00 N ATOM 1250 OXT ASN A 77 0.300 19.772 -12.168 1.00 0.00 O ATOM 0 H ASN A 77 -0.934 18.228 -8.601 1.00 0.00 H new ATOM 0 HA ASN A 77 1.141 20.016 -9.875 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.534 17.700 -8.661 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.697 16.988 -10.027 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.432 18.710 -10.665 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.481 19.182 -9.253 1.00 0.00 H new TER 1257 ASN A 77