USER MOD reduce.3.24.130724 H: found=0, std=0, add=626, rem=0, adj=26 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 27 HIS : no HD1:sc= -6.67 X(o=-15,f=-15!) USER MOD Set 1.2: A 30 LYS NZ :NH3+ -166:sc= 0.987 (180deg=0) USER MOD Set 1.3: A 31 HIS : no HE2:sc= -9.22! C(o=-15!,f=-25!) USER MOD Set 2.1: A 14 SER OG : rot 180:sc= -0.56 USER MOD Set 2.2: A 15 SER OG : rot -143:sc= 1.12 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.051) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.316) USER MOD Single : A 12 LYS NZ :NH3+ 176:sc= 0.0934 (180deg=0.0567) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -1.18 X(o=-1.2,f=-1.1) USER MOD Single : A 22 THR OG1 : rot 98:sc= 1.21 USER MOD Single : A 23 SER OG : rot 87:sc= 1.23 USER MOD Single : A 28 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.0163) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.273 X(o=-0.27,f=-0.61) USER MOD Single : A 42 SER OG : rot 180:sc= -1.56 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 CYS SG : rot 148:sc= 0.322 USER MOD Single : A 46 SER OG : rot -111:sc= 1.21 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -135:sc= 0.314 USER MOD Single : A 52 MET CE :methyl -132:sc= -2.7! (180deg=-5.2!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.039) USER MOD Single : A 58 SER OG : rot -110:sc= 1.22 USER MOD Single : A 59 LYS NZ :NH3+ 145:sc= 0 (180deg=-0.0632) USER MOD Single : A 63 MET CE :methyl -128:sc= -0.0147 (180deg=-0.282) 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 -148:sc= -0.254 (180deg=-1.35!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.2 K(o=-0.2,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.988 14.328 0.885 1.00 0.00 N ATOM 2 CA MET A 1 -20.265 15.686 0.335 1.00 0.00 C ATOM 3 C MET A 1 -19.030 16.226 -0.391 1.00 0.00 C ATOM 4 O MET A 1 -18.099 16.707 0.227 1.00 0.00 O ATOM 5 CB MET A 1 -20.590 16.550 1.555 1.00 0.00 C ATOM 6 CG MET A 1 -21.325 17.813 1.104 1.00 0.00 C ATOM 7 SD MET A 1 -21.995 18.670 2.552 1.00 0.00 S ATOM 8 CE MET A 1 -22.502 20.185 1.704 1.00 0.00 C ATOM 0 H1 MET A 1 -20.834 13.973 1.375 1.00 0.00 H new ATOM 0 H2 MET A 1 -19.741 13.682 0.108 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.195 14.380 1.556 1.00 0.00 H new ATOM 0 HA MET A 1 -21.080 15.679 -0.388 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.206 15.989 2.258 1.00 0.00 H new ATOM 0 HB3 MET A 1 -19.673 16.818 2.079 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.644 18.469 0.562 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.130 17.553 0.417 1.00 0.00 H new ATOM 0 HE1 MET A 1 -22.951 20.871 2.422 1.00 0.00 H new ATOM 0 HE2 MET A 1 -21.631 20.656 1.248 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.230 19.942 0.930 1.00 0.00 H new ATOM 20 N GLY A 2 -19.017 16.146 -1.697 1.00 0.00 N ATOM 21 CA GLY A 2 -17.846 16.651 -2.473 1.00 0.00 C ATOM 22 C GLY A 2 -18.238 16.813 -3.942 1.00 0.00 C ATOM 23 O GLY A 2 -18.219 15.866 -4.706 1.00 0.00 O ATOM 0 H GLY A 2 -19.770 15.751 -2.261 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -17.512 17.606 -2.067 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -17.010 15.957 -2.383 1.00 0.00 H new ATOM 27 N LYS A 3 -18.593 18.007 -4.341 1.00 0.00 N ATOM 28 CA LYS A 3 -18.989 18.243 -5.763 1.00 0.00 C ATOM 29 C LYS A 3 -18.747 19.707 -6.145 1.00 0.00 C ATOM 30 O LYS A 3 -19.582 20.343 -6.761 1.00 0.00 O ATOM 31 CB LYS A 3 -20.483 17.903 -5.828 1.00 0.00 C ATOM 32 CG LYS A 3 -21.266 18.784 -4.848 1.00 0.00 C ATOM 33 CD LYS A 3 -22.763 18.497 -4.988 1.00 0.00 C ATOM 34 CE LYS A 3 -23.537 19.298 -3.938 1.00 0.00 C ATOM 35 NZ LYS A 3 -23.673 20.663 -4.519 1.00 0.00 N ATOM 0 H LYS A 3 -18.626 18.832 -3.742 1.00 0.00 H new ATOM 0 HA LYS A 3 -18.408 17.636 -6.458 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -20.855 18.054 -6.842 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -20.636 16.851 -5.586 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -20.941 18.587 -3.826 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -21.066 19.837 -5.049 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -23.103 18.764 -5.988 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -22.953 17.431 -4.861 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -24.513 18.853 -3.742 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -23.002 19.324 -2.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -23.486 21.374 -3.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -22.990 20.780 -5.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -24.638 20.790 -4.886 1.00 0.00 H new ATOM 49 N GLY A 4 -17.608 20.242 -5.781 1.00 0.00 N ATOM 50 CA GLY A 4 -17.301 21.663 -6.117 1.00 0.00 C ATOM 51 C GLY A 4 -17.133 21.808 -7.631 1.00 0.00 C ATOM 52 O GLY A 4 -17.833 21.182 -8.404 1.00 0.00 O ATOM 0 H GLY A 4 -16.877 19.753 -5.264 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -18.104 22.312 -5.766 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.390 21.979 -5.608 1.00 0.00 H new ATOM 56 N ASP A 5 -16.203 22.628 -8.058 1.00 0.00 N ATOM 57 CA ASP A 5 -15.971 22.821 -9.525 1.00 0.00 C ATOM 58 C ASP A 5 -14.745 23.723 -9.758 1.00 0.00 C ATOM 59 O ASP A 5 -13.792 23.297 -10.381 1.00 0.00 O ATOM 60 CB ASP A 5 -17.246 23.485 -10.070 1.00 0.00 C ATOM 61 CG ASP A 5 -18.086 22.452 -10.824 1.00 0.00 C ATOM 62 OD1 ASP A 5 -17.620 21.968 -11.843 1.00 0.00 O ATOM 63 OD2 ASP A 5 -19.180 22.162 -10.370 1.00 0.00 O ATOM 0 H ASP A 5 -15.592 23.174 -7.451 1.00 0.00 H new ATOM 0 HA ASP A 5 -15.771 21.875 -10.029 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -17.825 23.910 -9.250 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -16.983 24.308 -10.734 1.00 0.00 H new ATOM 68 N PRO A 6 -14.792 24.944 -9.258 1.00 0.00 N ATOM 69 CA PRO A 6 -13.643 25.872 -9.442 1.00 0.00 C ATOM 70 C PRO A 6 -12.478 25.438 -8.558 1.00 0.00 C ATOM 71 O PRO A 6 -11.330 25.462 -8.961 1.00 0.00 O ATOM 72 CB PRO A 6 -14.180 27.214 -8.958 1.00 0.00 C ATOM 73 CG PRO A 6 -15.264 26.859 -7.994 1.00 0.00 C ATOM 74 CD PRO A 6 -15.880 25.579 -8.489 1.00 0.00 C ATOM 0 HA PRO A 6 -13.280 25.900 -10.469 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.399 27.804 -8.477 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -14.565 27.809 -9.786 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.862 26.732 -6.989 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -16.010 27.652 -7.941 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -16.209 24.947 -7.664 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -16.753 25.769 -9.113 1.00 0.00 H new ATOM 82 N ASN A 7 -12.777 25.064 -7.345 1.00 0.00 N ATOM 83 CA ASN A 7 -11.711 24.645 -6.395 1.00 0.00 C ATOM 84 C ASN A 7 -11.960 23.211 -5.916 1.00 0.00 C ATOM 85 O ASN A 7 -11.243 22.297 -6.277 1.00 0.00 O ATOM 86 CB ASN A 7 -11.829 25.637 -5.230 1.00 0.00 C ATOM 87 CG ASN A 7 -10.627 26.584 -5.233 1.00 0.00 C ATOM 88 OD1 ASN A 7 -9.736 26.460 -4.417 1.00 0.00 O ATOM 89 ND2 ASN A 7 -10.566 27.533 -6.128 1.00 0.00 N ATOM 0 H ASN A 7 -13.724 25.031 -6.969 1.00 0.00 H new ATOM 0 HA ASN A 7 -10.718 24.653 -6.845 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -12.754 26.208 -5.318 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -11.876 25.097 -4.284 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -9.770 28.170 -6.142 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -11.314 27.637 -6.813 1.00 0.00 H new ATOM 96 N LYS A 8 -12.973 23.011 -5.111 1.00 0.00 N ATOM 97 CA LYS A 8 -13.275 21.635 -4.606 1.00 0.00 C ATOM 98 C LYS A 8 -13.589 20.697 -5.784 1.00 0.00 C ATOM 99 O LYS A 8 -14.608 20.852 -6.428 1.00 0.00 O ATOM 100 CB LYS A 8 -14.507 21.796 -3.712 1.00 0.00 C ATOM 101 CG LYS A 8 -14.061 22.052 -2.272 1.00 0.00 C ATOM 102 CD LYS A 8 -15.290 22.178 -1.369 1.00 0.00 C ATOM 103 CE LYS A 8 -14.934 21.716 0.045 1.00 0.00 C ATOM 104 NZ LYS A 8 -13.923 22.698 0.526 1.00 0.00 N ATOM 0 H LYS A 8 -13.605 23.741 -4.781 1.00 0.00 H new ATOM 0 HA LYS A 8 -12.434 21.203 -4.065 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -15.121 22.624 -4.066 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -15.124 20.898 -3.759 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.426 21.236 -1.927 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.465 22.963 -2.222 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.635 23.212 -1.349 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.108 21.576 -1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -15.813 21.705 0.690 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.530 20.704 0.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.853 22.645 1.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.998 22.478 0.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.211 23.658 0.247 1.00 0.00 H new ATOM 118 N PRO A 9 -12.712 19.745 -6.041 1.00 0.00 N ATOM 119 CA PRO A 9 -12.945 18.800 -7.162 1.00 0.00 C ATOM 120 C PRO A 9 -14.065 17.820 -6.804 1.00 0.00 C ATOM 121 O PRO A 9 -14.609 17.858 -5.716 1.00 0.00 O ATOM 122 CB PRO A 9 -11.611 18.072 -7.307 1.00 0.00 C ATOM 123 CG PRO A 9 -10.964 18.175 -5.964 1.00 0.00 C ATOM 124 CD PRO A 9 -11.449 19.456 -5.338 1.00 0.00 C ATOM 0 HA PRO A 9 -13.253 19.295 -8.083 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.759 17.031 -7.595 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -10.993 18.531 -8.079 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.227 17.319 -5.343 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.878 18.179 -6.058 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.607 19.341 -4.266 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.727 20.262 -5.469 1.00 0.00 H new ATOM 132 N ARG A 10 -14.412 16.946 -7.712 1.00 0.00 N ATOM 133 CA ARG A 10 -15.501 15.957 -7.432 1.00 0.00 C ATOM 134 C ARG A 10 -15.053 14.970 -6.351 1.00 0.00 C ATOM 135 O ARG A 10 -13.877 14.705 -6.190 1.00 0.00 O ATOM 136 CB ARG A 10 -15.749 15.232 -8.762 1.00 0.00 C ATOM 137 CG ARG A 10 -14.456 14.570 -9.250 1.00 0.00 C ATOM 138 CD ARG A 10 -14.795 13.474 -10.262 1.00 0.00 C ATOM 139 NE ARG A 10 -13.479 13.009 -10.780 1.00 0.00 N ATOM 140 CZ ARG A 10 -13.264 12.957 -12.065 1.00 0.00 C ATOM 141 NH1 ARG A 10 -13.894 12.079 -12.797 1.00 0.00 N ATOM 142 NH2 ARG A 10 -12.420 13.783 -12.621 1.00 0.00 N ATOM 0 H ARG A 10 -13.989 16.872 -8.637 1.00 0.00 H new ATOM 0 HA ARG A 10 -16.407 16.439 -7.065 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -16.527 14.479 -8.635 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.109 15.939 -9.509 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -13.804 15.314 -9.708 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -13.911 14.145 -8.407 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -15.345 12.659 -9.792 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -15.422 13.859 -11.066 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.745 12.731 -10.129 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.554 11.434 -12.364 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.726 12.038 -13.802 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.928 14.470 -12.050 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.253 13.741 -13.626 1.00 0.00 H new ATOM 156 N GLY A 11 -15.985 14.427 -5.609 1.00 0.00 N ATOM 157 CA GLY A 11 -15.625 13.457 -4.535 1.00 0.00 C ATOM 158 C GLY A 11 -15.429 12.067 -5.144 1.00 0.00 C ATOM 159 O GLY A 11 -16.137 11.673 -6.051 1.00 0.00 O ATOM 0 H GLY A 11 -16.983 14.616 -5.703 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -14.712 13.777 -4.033 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -16.410 13.427 -3.780 1.00 0.00 H new ATOM 163 N LYS A 12 -14.472 11.324 -4.650 1.00 0.00 N ATOM 164 CA LYS A 12 -14.220 9.955 -5.193 1.00 0.00 C ATOM 165 C LYS A 12 -15.006 8.916 -4.389 1.00 0.00 C ATOM 166 O LYS A 12 -15.872 9.255 -3.602 1.00 0.00 O ATOM 167 CB LYS A 12 -12.715 9.738 -5.032 1.00 0.00 C ATOM 168 CG LYS A 12 -11.990 10.230 -6.287 1.00 0.00 C ATOM 169 CD LYS A 12 -10.568 10.656 -5.921 1.00 0.00 C ATOM 170 CE LYS A 12 -9.910 11.333 -7.125 1.00 0.00 C ATOM 171 NZ LYS A 12 -10.375 12.747 -7.074 1.00 0.00 N ATOM 0 H LYS A 12 -13.852 11.608 -3.891 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.536 9.855 -6.231 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.351 10.274 -4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.505 8.681 -4.869 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.962 9.440 -7.037 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.530 11.068 -6.727 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.589 11.340 -5.073 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.985 9.788 -5.615 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.823 11.273 -7.067 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.206 10.854 -8.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.912 13.292 -7.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.406 12.778 -7.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.132 13.159 -6.151 1.00 0.00 H new ATOM 185 N MET A 13 -14.711 7.656 -4.581 1.00 0.00 N ATOM 186 CA MET A 13 -15.436 6.587 -3.833 1.00 0.00 C ATOM 187 C MET A 13 -14.435 5.560 -3.295 1.00 0.00 C ATOM 188 O MET A 13 -13.251 5.822 -3.212 1.00 0.00 O ATOM 189 CB MET A 13 -16.369 5.948 -4.863 1.00 0.00 C ATOM 190 CG MET A 13 -17.361 6.996 -5.373 1.00 0.00 C ATOM 191 SD MET A 13 -18.604 6.193 -6.415 1.00 0.00 S ATOM 192 CE MET A 13 -19.529 7.684 -6.855 1.00 0.00 C ATOM 0 H MET A 13 -13.996 7.321 -5.227 1.00 0.00 H new ATOM 0 HA MET A 13 -15.987 6.974 -2.976 1.00 0.00 H new ATOM 0 HB2 MET A 13 -15.790 5.546 -5.694 1.00 0.00 H new ATOM 0 HB3 MET A 13 -16.906 5.112 -4.414 1.00 0.00 H new ATOM 0 HG2 MET A 13 -17.843 7.495 -4.533 1.00 0.00 H new ATOM 0 HG3 MET A 13 -16.836 7.764 -5.941 1.00 0.00 H new ATOM 0 HE1 MET A 13 -20.360 7.417 -7.508 1.00 0.00 H new ATOM 0 HE2 MET A 13 -19.915 8.153 -5.950 1.00 0.00 H new ATOM 0 HE3 MET A 13 -18.870 8.381 -7.372 1.00 0.00 H new ATOM 202 N SER A 14 -14.906 4.396 -2.926 1.00 0.00 N ATOM 203 CA SER A 14 -13.989 3.349 -2.389 1.00 0.00 C ATOM 204 C SER A 14 -14.389 1.971 -2.929 1.00 0.00 C ATOM 205 O SER A 14 -15.340 1.841 -3.676 1.00 0.00 O ATOM 206 CB SER A 14 -14.168 3.422 -0.872 1.00 0.00 C ATOM 207 OG SER A 14 -13.808 2.178 -0.283 1.00 0.00 O ATOM 0 H SER A 14 -15.889 4.126 -2.974 1.00 0.00 H new ATOM 0 HA SER A 14 -12.951 3.505 -2.682 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.550 4.221 -0.462 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.203 3.663 -0.630 1.00 0.00 H new ATOM 0 HG SER A 14 -13.923 2.231 0.689 1.00 0.00 H new ATOM 213 N SER A 15 -13.666 0.945 -2.556 1.00 0.00 N ATOM 214 CA SER A 15 -13.993 -0.430 -3.047 1.00 0.00 C ATOM 215 C SER A 15 -15.413 -0.825 -2.625 1.00 0.00 C ATOM 216 O SER A 15 -16.076 -1.591 -3.298 1.00 0.00 O ATOM 217 CB SER A 15 -12.966 -1.349 -2.386 1.00 0.00 C ATOM 218 OG SER A 15 -13.032 -1.192 -0.975 1.00 0.00 O ATOM 0 H SER A 15 -12.862 1.000 -1.931 1.00 0.00 H new ATOM 0 HA SER A 15 -13.955 -0.493 -4.135 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.162 -2.386 -2.657 1.00 0.00 H new ATOM 0 HB3 SER A 15 -11.964 -1.110 -2.743 1.00 0.00 H new ATOM 0 HG SER A 15 -12.129 -1.244 -0.597 1.00 0.00 H new ATOM 224 N TYR A 16 -15.878 -0.308 -1.516 1.00 0.00 N ATOM 225 CA TYR A 16 -17.256 -0.652 -1.046 1.00 0.00 C ATOM 226 C TYR A 16 -18.302 -0.005 -1.957 1.00 0.00 C ATOM 227 O TYR A 16 -19.384 -0.530 -2.141 1.00 0.00 O ATOM 228 CB TYR A 16 -17.353 -0.084 0.371 1.00 0.00 C ATOM 229 CG TYR A 16 -18.477 -0.768 1.112 1.00 0.00 C ATOM 230 CD1 TYR A 16 -19.809 -0.485 0.781 1.00 0.00 C ATOM 231 CD2 TYR A 16 -18.189 -1.686 2.128 1.00 0.00 C ATOM 232 CE1 TYR A 16 -20.851 -1.121 1.467 1.00 0.00 C ATOM 233 CE2 TYR A 16 -19.231 -2.322 2.814 1.00 0.00 C ATOM 234 CZ TYR A 16 -20.561 -2.039 2.484 1.00 0.00 C ATOM 235 OH TYR A 16 -21.589 -2.665 3.161 1.00 0.00 O ATOM 0 H TYR A 16 -15.364 0.337 -0.916 1.00 0.00 H new ATOM 0 HA TYR A 16 -17.439 -1.726 -1.064 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -16.411 -0.233 0.899 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -17.530 0.991 0.332 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -20.032 0.224 -0.003 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.163 -1.904 2.383 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -21.878 -0.904 1.212 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -19.008 -3.031 3.598 1.00 0.00 H new ATOM 0 HH TYR A 16 -21.216 -3.272 3.834 1.00 0.00 H new ATOM 245 N ALA A 17 -17.985 1.130 -2.527 1.00 0.00 N ATOM 246 CA ALA A 17 -18.956 1.817 -3.431 1.00 0.00 C ATOM 247 C ALA A 17 -18.904 1.197 -4.830 1.00 0.00 C ATOM 248 O ALA A 17 -19.916 1.049 -5.489 1.00 0.00 O ATOM 249 CB ALA A 17 -18.496 3.275 -3.473 1.00 0.00 C ATOM 0 H ALA A 17 -17.094 1.611 -2.405 1.00 0.00 H new ATOM 0 HA ALA A 17 -19.984 1.725 -3.080 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -19.161 3.848 -4.119 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.519 3.693 -2.467 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.479 3.325 -3.863 1.00 0.00 H new ATOM 255 N PHE A 18 -17.731 0.834 -5.282 1.00 0.00 N ATOM 256 CA PHE A 18 -17.603 0.219 -6.638 1.00 0.00 C ATOM 257 C PHE A 18 -18.322 -1.133 -6.674 1.00 0.00 C ATOM 258 O PHE A 18 -18.806 -1.560 -7.704 1.00 0.00 O ATOM 259 CB PHE A 18 -16.101 0.033 -6.858 1.00 0.00 C ATOM 260 CG PHE A 18 -15.464 1.372 -7.143 1.00 0.00 C ATOM 261 CD1 PHE A 18 -15.893 2.132 -8.237 1.00 0.00 C ATOM 262 CD2 PHE A 18 -14.444 1.854 -6.313 1.00 0.00 C ATOM 263 CE1 PHE A 18 -15.302 3.374 -8.502 1.00 0.00 C ATOM 264 CE2 PHE A 18 -13.854 3.096 -6.577 1.00 0.00 C ATOM 265 CZ PHE A 18 -14.283 3.856 -7.672 1.00 0.00 C ATOM 0 H PHE A 18 -16.855 0.937 -4.770 1.00 0.00 H new ATOM 0 HA PHE A 18 -18.051 0.840 -7.414 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.646 -0.417 -5.976 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.926 -0.649 -7.690 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.680 1.761 -8.877 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -14.112 1.267 -5.469 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.633 3.960 -9.347 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.068 3.468 -5.936 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.828 4.814 -7.876 1.00 0.00 H new ATOM 275 N PHE A 19 -18.392 -1.805 -5.552 1.00 0.00 N ATOM 276 CA PHE A 19 -19.080 -3.133 -5.511 1.00 0.00 C ATOM 277 C PHE A 19 -20.554 -2.975 -5.893 1.00 0.00 C ATOM 278 O PHE A 19 -21.057 -3.669 -6.757 1.00 0.00 O ATOM 279 CB PHE A 19 -18.949 -3.610 -4.062 1.00 0.00 C ATOM 280 CG PHE A 19 -19.275 -5.081 -3.985 1.00 0.00 C ATOM 281 CD1 PHE A 19 -18.402 -6.022 -4.542 1.00 0.00 C ATOM 282 CD2 PHE A 19 -20.450 -5.504 -3.355 1.00 0.00 C ATOM 283 CE1 PHE A 19 -18.704 -7.387 -4.470 1.00 0.00 C ATOM 284 CE2 PHE A 19 -20.754 -6.869 -3.282 1.00 0.00 C ATOM 285 CZ PHE A 19 -19.881 -7.810 -3.840 1.00 0.00 C ATOM 0 H PHE A 19 -18.003 -1.492 -4.663 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.643 -3.844 -6.212 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -17.937 -3.432 -3.699 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.622 -3.043 -3.419 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.495 -5.695 -5.028 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -21.123 -4.777 -2.925 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -18.030 -8.113 -4.900 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -21.661 -7.195 -2.796 1.00 0.00 H new ATOM 0 HZ PHE A 19 -20.115 -8.863 -3.785 1.00 0.00 H new ATOM 295 N VAL A 20 -21.246 -2.064 -5.256 1.00 0.00 N ATOM 296 CA VAL A 20 -22.690 -1.850 -5.580 1.00 0.00 C ATOM 297 C VAL A 20 -22.823 -1.176 -6.949 1.00 0.00 C ATOM 298 O VAL A 20 -23.796 -1.371 -7.653 1.00 0.00 O ATOM 299 CB VAL A 20 -23.223 -0.939 -4.467 1.00 0.00 C ATOM 300 CG1 VAL A 20 -24.703 -0.624 -4.711 1.00 0.00 C ATOM 301 CG2 VAL A 20 -23.073 -1.647 -3.118 1.00 0.00 C ATOM 0 H VAL A 20 -20.873 -1.459 -4.525 1.00 0.00 H new ATOM 0 HA VAL A 20 -23.248 -2.785 -5.631 1.00 0.00 H new ATOM 0 HB VAL A 20 -22.654 -0.009 -4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -25.073 0.023 -3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -24.814 -0.120 -5.671 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -25.276 -1.551 -4.720 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -23.451 -1.002 -2.325 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -23.640 -2.578 -3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -22.021 -1.866 -2.937 1.00 0.00 H new ATOM 311 N GLN A 21 -21.849 -0.388 -7.328 1.00 0.00 N ATOM 312 CA GLN A 21 -21.910 0.301 -8.654 1.00 0.00 C ATOM 313 C GLN A 21 -21.740 -0.717 -9.784 1.00 0.00 C ATOM 314 O GLN A 21 -22.350 -0.605 -10.831 1.00 0.00 O ATOM 315 CB GLN A 21 -20.747 1.295 -8.648 1.00 0.00 C ATOM 316 CG GLN A 21 -21.037 2.428 -9.634 1.00 0.00 C ATOM 317 CD GLN A 21 -20.797 1.938 -11.062 1.00 0.00 C ATOM 318 OE1 GLN A 21 -19.744 1.416 -11.369 1.00 0.00 O ATOM 319 NE2 GLN A 21 -21.737 2.084 -11.956 1.00 0.00 N ATOM 0 H GLN A 21 -21.014 -0.192 -6.777 1.00 0.00 H new ATOM 0 HA GLN A 21 -22.866 0.800 -8.813 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -20.605 1.699 -7.646 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -19.821 0.789 -8.922 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -22.067 2.766 -9.523 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -20.396 3.283 -9.420 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -22.622 2.522 -11.699 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -21.587 1.760 -12.911 1.00 0.00 H new ATOM 328 N THR A 22 -20.915 -1.713 -9.574 1.00 0.00 N ATOM 329 CA THR A 22 -20.699 -2.749 -10.629 1.00 0.00 C ATOM 330 C THR A 22 -21.786 -3.822 -10.541 1.00 0.00 C ATOM 331 O THR A 22 -22.149 -4.431 -11.530 1.00 0.00 O ATOM 332 CB THR A 22 -19.325 -3.347 -10.319 1.00 0.00 C ATOM 333 OG1 THR A 22 -18.362 -2.306 -10.248 1.00 0.00 O ATOM 334 CG2 THR A 22 -18.935 -4.332 -11.422 1.00 0.00 C ATOM 0 H THR A 22 -20.381 -1.853 -8.716 1.00 0.00 H new ATOM 0 HA THR A 22 -20.744 -2.333 -11.636 1.00 0.00 H new ATOM 0 HB THR A 22 -19.364 -3.871 -9.364 1.00 0.00 H new ATOM 0 HG1 THR A 22 -18.211 -2.064 -9.311 1.00 0.00 H new ATOM 0 HG21 THR A 22 -17.956 -4.757 -11.200 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.675 -5.131 -11.474 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.896 -3.811 -12.378 1.00 0.00 H new ATOM 342 N SER A 23 -22.306 -4.055 -9.362 1.00 0.00 N ATOM 343 CA SER A 23 -23.374 -5.087 -9.200 1.00 0.00 C ATOM 344 C SER A 23 -24.723 -4.526 -9.654 1.00 0.00 C ATOM 345 O SER A 23 -25.583 -5.252 -10.117 1.00 0.00 O ATOM 346 CB SER A 23 -23.399 -5.406 -7.706 1.00 0.00 C ATOM 347 OG SER A 23 -22.174 -6.026 -7.337 1.00 0.00 O ATOM 0 H SER A 23 -22.036 -3.574 -8.504 1.00 0.00 H new ATOM 0 HA SER A 23 -23.182 -5.976 -9.800 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.545 -4.492 -7.130 1.00 0.00 H new ATOM 0 HB3 SER A 23 -24.237 -6.065 -7.477 1.00 0.00 H new ATOM 0 HG SER A 23 -21.511 -5.337 -7.122 1.00 0.00 H new ATOM 353 N ARG A 24 -24.912 -3.236 -9.525 1.00 0.00 N ATOM 354 CA ARG A 24 -26.205 -2.617 -9.950 1.00 0.00 C ATOM 355 C ARG A 24 -26.305 -2.611 -11.478 1.00 0.00 C ATOM 356 O ARG A 24 -27.347 -2.884 -12.041 1.00 0.00 O ATOM 357 CB ARG A 24 -26.166 -1.186 -9.408 1.00 0.00 C ATOM 358 CG ARG A 24 -27.535 -0.530 -9.598 1.00 0.00 C ATOM 359 CD ARG A 24 -27.545 0.262 -10.908 1.00 0.00 C ATOM 360 NE ARG A 24 -27.132 1.641 -10.527 1.00 0.00 N ATOM 361 CZ ARG A 24 -28.012 2.604 -10.508 1.00 0.00 C ATOM 362 NH1 ARG A 24 -28.696 2.842 -9.422 1.00 0.00 N ATOM 363 NH2 ARG A 24 -28.210 3.329 -11.574 1.00 0.00 N ATOM 0 H ARG A 24 -24.226 -2.585 -9.143 1.00 0.00 H new ATOM 0 HA ARG A 24 -27.068 -3.166 -9.574 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -25.898 -1.193 -8.351 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -25.400 -0.610 -9.927 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -28.315 -1.291 -9.615 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -27.753 0.131 -8.759 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -26.857 -0.169 -11.635 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -28.535 0.258 -11.364 1.00 0.00 H new ATOM 0 HE ARG A 24 -26.161 1.833 -10.281 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -28.543 2.275 -8.588 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -29.384 3.595 -9.407 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -27.677 3.143 -12.423 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -28.898 4.082 -11.558 1.00 0.00 H new ATOM 377 N GLU A 25 -25.223 -2.303 -12.149 1.00 0.00 N ATOM 378 CA GLU A 25 -25.244 -2.282 -13.645 1.00 0.00 C ATOM 379 C GLU A 25 -25.525 -3.688 -14.180 1.00 0.00 C ATOM 380 O GLU A 25 -26.159 -3.856 -15.205 1.00 0.00 O ATOM 381 CB GLU A 25 -23.848 -1.817 -14.063 1.00 0.00 C ATOM 382 CG GLU A 25 -23.761 -0.294 -13.944 1.00 0.00 C ATOM 383 CD GLU A 25 -22.500 0.202 -14.655 1.00 0.00 C ATOM 384 OE1 GLU A 25 -21.425 -0.242 -14.290 1.00 0.00 O ATOM 385 OE2 GLU A 25 -22.632 1.020 -15.551 1.00 0.00 O ATOM 0 H GLU A 25 -24.326 -2.065 -11.726 1.00 0.00 H new ATOM 0 HA GLU A 25 -26.020 -1.625 -14.039 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -23.093 -2.286 -13.432 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -23.642 -2.125 -15.088 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -24.645 0.167 -14.385 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -23.739 -0.001 -12.894 1.00 0.00 H new ATOM 392 N GLU A 26 -25.058 -4.696 -13.488 1.00 0.00 N ATOM 393 CA GLU A 26 -25.296 -6.099 -13.943 1.00 0.00 C ATOM 394 C GLU A 26 -26.731 -6.543 -13.618 1.00 0.00 C ATOM 395 O GLU A 26 -27.192 -7.559 -14.101 1.00 0.00 O ATOM 396 CB GLU A 26 -24.285 -6.946 -13.167 1.00 0.00 C ATOM 397 CG GLU A 26 -24.366 -8.399 -13.640 1.00 0.00 C ATOM 398 CD GLU A 26 -23.324 -9.237 -12.898 1.00 0.00 C ATOM 399 OE1 GLU A 26 -23.522 -9.485 -11.720 1.00 0.00 O ATOM 400 OE2 GLU A 26 -22.345 -9.617 -13.520 1.00 0.00 O ATOM 0 H GLU A 26 -24.521 -4.607 -12.625 1.00 0.00 H new ATOM 0 HA GLU A 26 -25.176 -6.201 -15.022 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -23.278 -6.559 -13.319 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -24.491 -6.888 -12.098 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -25.364 -8.797 -13.458 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -24.193 -8.453 -14.715 1.00 0.00 H new ATOM 407 N HIS A 27 -27.440 -5.791 -12.806 1.00 0.00 N ATOM 408 CA HIS A 27 -28.841 -6.173 -12.456 1.00 0.00 C ATOM 409 C HIS A 27 -29.842 -5.547 -13.440 1.00 0.00 C ATOM 410 O HIS A 27 -31.024 -5.471 -13.160 1.00 0.00 O ATOM 411 CB HIS A 27 -29.058 -5.614 -11.049 1.00 0.00 C ATOM 412 CG HIS A 27 -30.270 -6.256 -10.433 1.00 0.00 C ATOM 413 ND1 HIS A 27 -30.178 -7.356 -9.595 1.00 0.00 N ATOM 414 CD2 HIS A 27 -31.609 -5.964 -10.523 1.00 0.00 C ATOM 415 CE1 HIS A 27 -31.428 -7.683 -9.215 1.00 0.00 C ATOM 416 NE2 HIS A 27 -32.338 -6.867 -9.754 1.00 0.00 N ATOM 0 H HIS A 27 -27.106 -4.930 -12.373 1.00 0.00 H new ATOM 0 HA HIS A 27 -28.993 -7.251 -12.504 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -28.180 -5.804 -10.432 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -29.189 -4.533 -11.092 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -32.032 -5.157 -11.102 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -31.666 -8.504 -8.555 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -33.350 -6.899 -9.629 1.00 0.00 H new ATOM 424 N LYS A 28 -29.383 -5.098 -14.586 1.00 0.00 N ATOM 425 CA LYS A 28 -30.314 -4.481 -15.579 1.00 0.00 C ATOM 426 C LYS A 28 -30.443 -5.370 -16.822 1.00 0.00 C ATOM 427 O LYS A 28 -30.796 -4.906 -17.890 1.00 0.00 O ATOM 428 CB LYS A 28 -29.671 -3.142 -15.943 1.00 0.00 C ATOM 429 CG LYS A 28 -30.713 -2.239 -16.608 1.00 0.00 C ATOM 430 CD LYS A 28 -31.558 -1.555 -15.531 1.00 0.00 C ATOM 431 CE LYS A 28 -32.369 -0.420 -16.162 1.00 0.00 C ATOM 432 NZ LYS A 28 -31.452 0.754 -16.156 1.00 0.00 N ATOM 0 H LYS A 28 -28.405 -5.133 -14.874 1.00 0.00 H new ATOM 0 HA LYS A 28 -31.319 -4.358 -15.176 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -29.276 -2.661 -15.048 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -28.830 -3.302 -16.617 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -30.219 -1.490 -17.227 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -31.352 -2.827 -17.267 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -32.227 -2.278 -15.065 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -30.914 -1.162 -14.744 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -32.681 -0.673 -17.175 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -33.275 -0.217 -15.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -31.698 1.391 -16.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -31.546 1.263 -15.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -30.471 0.429 -16.269 1.00 0.00 H new ATOM 446 N LYS A 29 -30.161 -6.643 -16.691 1.00 0.00 N ATOM 447 CA LYS A 29 -30.269 -7.566 -17.862 1.00 0.00 C ATOM 448 C LYS A 29 -31.379 -8.594 -17.623 1.00 0.00 C ATOM 449 O LYS A 29 -32.016 -9.059 -18.548 1.00 0.00 O ATOM 450 CB LYS A 29 -28.908 -8.258 -17.949 1.00 0.00 C ATOM 451 CG LYS A 29 -27.864 -7.271 -18.476 1.00 0.00 C ATOM 452 CD LYS A 29 -26.462 -7.832 -18.233 1.00 0.00 C ATOM 453 CE LYS A 29 -26.238 -9.056 -19.125 1.00 0.00 C ATOM 454 NZ LYS A 29 -24.952 -9.643 -18.658 1.00 0.00 N ATOM 0 H LYS A 29 -29.860 -7.083 -15.821 1.00 0.00 H new ATOM 0 HA LYS A 29 -30.517 -7.038 -18.783 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -28.612 -8.626 -16.967 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -28.970 -9.124 -18.608 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -28.018 -7.097 -19.541 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -27.974 -6.308 -17.977 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -25.712 -7.071 -18.448 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -26.346 -8.107 -17.185 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -27.056 -9.770 -19.028 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -26.184 -8.774 -20.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -24.731 -10.488 -19.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -24.191 -8.943 -18.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -25.035 -9.909 -17.656 1.00 0.00 H new ATOM 468 N LYS A 30 -31.606 -8.952 -16.385 1.00 0.00 N ATOM 469 CA LYS A 30 -32.671 -9.954 -16.066 1.00 0.00 C ATOM 470 C LYS A 30 -33.631 -9.396 -15.013 1.00 0.00 C ATOM 471 O LYS A 30 -34.188 -10.133 -14.223 1.00 0.00 O ATOM 472 CB LYS A 30 -31.947 -11.206 -15.532 1.00 0.00 C ATOM 473 CG LYS A 30 -30.840 -10.825 -14.539 1.00 0.00 C ATOM 474 CD LYS A 30 -30.183 -12.096 -13.994 1.00 0.00 C ATOM 475 CE LYS A 30 -31.053 -12.684 -12.881 1.00 0.00 C ATOM 476 NZ LYS A 30 -30.456 -12.170 -11.617 1.00 0.00 N ATOM 0 H LYS A 30 -31.098 -8.592 -15.577 1.00 0.00 H new ATOM 0 HA LYS A 30 -33.266 -10.192 -16.948 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -32.666 -11.865 -15.045 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -31.517 -11.763 -16.364 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -30.095 -10.200 -15.031 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -31.257 -10.239 -13.720 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -30.057 -12.825 -14.795 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -29.188 -11.868 -13.611 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -32.092 -12.370 -12.984 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -31.045 -13.774 -12.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -30.836 -12.706 -10.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -29.423 -12.282 -11.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -30.692 -11.163 -11.506 1.00 0.00 H new ATOM 490 N HIS A 31 -33.833 -8.102 -15.004 1.00 0.00 N ATOM 491 CA HIS A 31 -34.763 -7.489 -14.005 1.00 0.00 C ATOM 492 C HIS A 31 -35.494 -6.286 -14.626 1.00 0.00 C ATOM 493 O HIS A 31 -35.117 -5.155 -14.394 1.00 0.00 O ATOM 494 CB HIS A 31 -33.867 -7.039 -12.848 1.00 0.00 C ATOM 495 CG HIS A 31 -33.178 -8.235 -12.255 1.00 0.00 C ATOM 496 ND1 HIS A 31 -33.878 -9.337 -11.795 1.00 0.00 N ATOM 497 CD2 HIS A 31 -31.852 -8.527 -12.063 1.00 0.00 C ATOM 498 CE1 HIS A 31 -32.979 -10.235 -11.357 1.00 0.00 C ATOM 499 NE2 HIS A 31 -31.728 -9.790 -11.493 1.00 0.00 N ATOM 0 H HIS A 31 -33.394 -7.442 -15.646 1.00 0.00 H new ATOM 0 HA HIS A 31 -35.531 -8.188 -13.674 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -33.129 -6.320 -13.204 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -34.463 -6.535 -12.087 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -34.892 -9.447 -11.789 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -31.029 -7.875 -12.316 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -33.237 -11.199 -10.945 1.00 0.00 H new ATOM 507 N PRO A 32 -36.526 -6.563 -15.398 1.00 0.00 N ATOM 508 CA PRO A 32 -37.296 -5.469 -16.040 1.00 0.00 C ATOM 509 C PRO A 32 -38.166 -4.750 -15.004 1.00 0.00 C ATOM 510 O PRO A 32 -38.143 -3.538 -14.897 1.00 0.00 O ATOM 511 CB PRO A 32 -38.161 -6.190 -17.068 1.00 0.00 C ATOM 512 CG PRO A 32 -38.301 -7.587 -16.552 1.00 0.00 C ATOM 513 CD PRO A 32 -37.066 -7.890 -15.744 1.00 0.00 C ATOM 0 HA PRO A 32 -36.661 -4.705 -16.488 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -39.134 -5.709 -17.171 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -37.694 -6.179 -18.053 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -39.196 -7.682 -15.937 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -38.404 -8.293 -17.376 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -37.306 -8.468 -14.851 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -36.348 -8.475 -16.319 1.00 0.00 H new ATOM 521 N ASP A 33 -38.930 -5.491 -14.242 1.00 0.00 N ATOM 522 CA ASP A 33 -39.806 -4.861 -13.209 1.00 0.00 C ATOM 523 C ASP A 33 -39.503 -5.455 -11.830 1.00 0.00 C ATOM 524 O ASP A 33 -40.368 -6.008 -11.177 1.00 0.00 O ATOM 525 CB ASP A 33 -41.234 -5.199 -13.642 1.00 0.00 C ATOM 526 CG ASP A 33 -42.223 -4.326 -12.869 1.00 0.00 C ATOM 527 OD1 ASP A 33 -42.252 -3.133 -13.121 1.00 0.00 O ATOM 528 OD2 ASP A 33 -42.936 -4.865 -12.037 1.00 0.00 O ATOM 0 H ASP A 33 -38.985 -6.508 -14.291 1.00 0.00 H new ATOM 0 HA ASP A 33 -39.650 -3.785 -13.131 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -41.349 -5.035 -14.713 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -41.441 -6.253 -13.457 1.00 0.00 H new ATOM 533 N SER A 34 -38.276 -5.343 -11.387 1.00 0.00 N ATOM 534 CA SER A 34 -37.900 -5.899 -10.052 1.00 0.00 C ATOM 535 C SER A 34 -37.595 -4.768 -9.063 1.00 0.00 C ATOM 536 O SER A 34 -37.659 -4.953 -7.863 1.00 0.00 O ATOM 537 CB SER A 34 -36.649 -6.735 -10.312 1.00 0.00 C ATOM 538 OG SER A 34 -36.281 -7.413 -9.119 1.00 0.00 O ATOM 0 H SER A 34 -37.516 -4.889 -11.894 1.00 0.00 H new ATOM 0 HA SER A 34 -38.704 -6.489 -9.613 1.00 0.00 H new ATOM 0 HB2 SER A 34 -36.837 -7.454 -11.109 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.833 -6.095 -10.647 1.00 0.00 H new ATOM 0 HG SER A 34 -35.479 -7.952 -9.283 1.00 0.00 H new ATOM 544 N SER A 35 -37.257 -3.596 -9.556 1.00 0.00 N ATOM 545 CA SER A 35 -36.940 -2.443 -8.648 1.00 0.00 C ATOM 546 C SER A 35 -35.838 -2.829 -7.654 1.00 0.00 C ATOM 547 O SER A 35 -36.095 -3.451 -6.641 1.00 0.00 O ATOM 548 CB SER A 35 -38.244 -2.125 -7.911 1.00 0.00 C ATOM 549 OG SER A 35 -39.300 -2.005 -8.854 1.00 0.00 O ATOM 0 H SER A 35 -37.187 -3.388 -10.552 1.00 0.00 H new ATOM 0 HA SER A 35 -36.575 -1.581 -9.205 1.00 0.00 H new ATOM 0 HB2 SER A 35 -38.470 -2.913 -7.193 1.00 0.00 H new ATOM 0 HB3 SER A 35 -38.139 -1.199 -7.346 1.00 0.00 H new ATOM 0 HG SER A 35 -40.136 -1.803 -8.385 1.00 0.00 H new ATOM 555 N VAL A 36 -34.615 -2.466 -7.944 1.00 0.00 N ATOM 556 CA VAL A 36 -33.487 -2.811 -7.027 1.00 0.00 C ATOM 557 C VAL A 36 -32.994 -1.559 -6.289 1.00 0.00 C ATOM 558 O VAL A 36 -31.970 -0.992 -6.623 1.00 0.00 O ATOM 559 CB VAL A 36 -32.393 -3.383 -7.942 1.00 0.00 C ATOM 560 CG1 VAL A 36 -31.981 -2.343 -8.996 1.00 0.00 C ATOM 561 CG2 VAL A 36 -31.175 -3.778 -7.098 1.00 0.00 C ATOM 0 H VAL A 36 -34.348 -1.944 -8.779 1.00 0.00 H new ATOM 0 HA VAL A 36 -33.781 -3.524 -6.257 1.00 0.00 H new ATOM 0 HB VAL A 36 -32.783 -4.263 -8.454 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -31.205 -2.762 -9.637 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -32.847 -2.076 -9.602 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -31.598 -1.452 -8.498 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -30.399 -4.184 -7.747 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -30.792 -2.899 -6.579 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -31.468 -4.532 -6.367 1.00 0.00 H new ATOM 571 N ASN A 37 -33.714 -1.131 -5.280 1.00 0.00 N ATOM 572 CA ASN A 37 -33.287 0.079 -4.507 1.00 0.00 C ATOM 573 C ASN A 37 -31.900 -0.154 -3.902 1.00 0.00 C ATOM 574 O ASN A 37 -31.264 -1.156 -4.176 1.00 0.00 O ATOM 575 CB ASN A 37 -34.334 0.245 -3.403 1.00 0.00 C ATOM 576 CG ASN A 37 -34.460 1.724 -3.034 1.00 0.00 C ATOM 577 OD1 ASN A 37 -34.586 2.569 -3.898 1.00 0.00 O ATOM 578 ND2 ASN A 37 -34.432 2.075 -1.777 1.00 0.00 N ATOM 0 H ASN A 37 -34.578 -1.567 -4.958 1.00 0.00 H new ATOM 0 HA ASN A 37 -33.221 0.968 -5.134 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -35.297 -0.139 -3.740 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -34.048 -0.336 -2.526 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -34.516 3.059 -1.520 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -34.326 1.366 -1.052 1.00 0.00 H new ATOM 585 N PHE A 38 -31.426 0.752 -3.085 1.00 0.00 N ATOM 586 CA PHE A 38 -30.078 0.566 -2.471 1.00 0.00 C ATOM 587 C PHE A 38 -30.146 -0.463 -1.347 1.00 0.00 C ATOM 588 O PHE A 38 -29.332 -1.351 -1.278 1.00 0.00 O ATOM 589 CB PHE A 38 -29.673 1.929 -1.914 1.00 0.00 C ATOM 590 CG PHE A 38 -29.595 2.931 -3.039 1.00 0.00 C ATOM 591 CD1 PHE A 38 -28.441 2.999 -3.829 1.00 0.00 C ATOM 592 CD2 PHE A 38 -30.672 3.785 -3.297 1.00 0.00 C ATOM 593 CE1 PHE A 38 -28.364 3.924 -4.875 1.00 0.00 C ATOM 594 CE2 PHE A 38 -30.595 4.711 -4.345 1.00 0.00 C ATOM 595 CZ PHE A 38 -29.440 4.779 -5.134 1.00 0.00 C ATOM 0 H PHE A 38 -31.912 1.608 -2.818 1.00 0.00 H new ATOM 0 HA PHE A 38 -29.355 0.203 -3.202 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -30.397 2.259 -1.169 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -28.709 1.856 -1.411 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -27.611 2.337 -3.631 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -31.563 3.731 -2.688 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -27.473 3.978 -5.483 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -31.426 5.372 -4.544 1.00 0.00 H new ATOM 0 HZ PHE A 38 -29.380 5.492 -5.943 1.00 0.00 H new ATOM 605 N ALA A 39 -31.103 -0.348 -0.463 1.00 0.00 N ATOM 606 CA ALA A 39 -31.202 -1.329 0.662 1.00 0.00 C ATOM 607 C ALA A 39 -31.638 -2.697 0.147 1.00 0.00 C ATOM 608 O ALA A 39 -31.142 -3.714 0.591 1.00 0.00 O ATOM 609 CB ALA A 39 -32.243 -0.750 1.620 1.00 0.00 C ATOM 0 H ALA A 39 -31.818 0.379 -0.470 1.00 0.00 H new ATOM 0 HA ALA A 39 -30.241 -1.476 1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -32.367 -1.420 2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -31.910 0.226 1.972 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -33.195 -0.643 1.101 1.00 0.00 H new ATOM 615 N GLU A 40 -32.550 -2.734 -0.787 1.00 0.00 N ATOM 616 CA GLU A 40 -33.000 -4.049 -1.330 1.00 0.00 C ATOM 617 C GLU A 40 -31.828 -4.772 -2.009 1.00 0.00 C ATOM 618 O GLU A 40 -31.885 -5.963 -2.246 1.00 0.00 O ATOM 619 CB GLU A 40 -34.093 -3.717 -2.348 1.00 0.00 C ATOM 620 CG GLU A 40 -35.355 -3.263 -1.611 1.00 0.00 C ATOM 621 CD GLU A 40 -36.085 -4.483 -1.047 1.00 0.00 C ATOM 622 OE1 GLU A 40 -36.763 -5.149 -1.812 1.00 0.00 O ATOM 623 OE2 GLU A 40 -35.952 -4.731 0.140 1.00 0.00 O ATOM 0 H GLU A 40 -33.001 -1.916 -1.196 1.00 0.00 H new ATOM 0 HA GLU A 40 -33.370 -4.710 -0.546 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -33.751 -2.932 -3.022 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -34.312 -4.591 -2.961 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -35.091 -2.579 -0.804 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -36.009 -2.717 -2.291 1.00 0.00 H new ATOM 630 N PHE A 41 -30.767 -4.062 -2.325 1.00 0.00 N ATOM 631 CA PHE A 41 -29.602 -4.716 -2.988 1.00 0.00 C ATOM 632 C PHE A 41 -28.368 -4.667 -2.082 1.00 0.00 C ATOM 633 O PHE A 41 -27.677 -5.653 -1.906 1.00 0.00 O ATOM 634 CB PHE A 41 -29.373 -3.908 -4.266 1.00 0.00 C ATOM 635 CG PHE A 41 -28.472 -4.680 -5.198 1.00 0.00 C ATOM 636 CD1 PHE A 41 -28.838 -5.963 -5.623 1.00 0.00 C ATOM 637 CD2 PHE A 41 -27.272 -4.111 -5.641 1.00 0.00 C ATOM 638 CE1 PHE A 41 -28.003 -6.677 -6.490 1.00 0.00 C ATOM 639 CE2 PHE A 41 -26.437 -4.826 -6.508 1.00 0.00 C ATOM 640 CZ PHE A 41 -26.802 -6.109 -6.933 1.00 0.00 C ATOM 0 H PHE A 41 -30.663 -3.062 -2.151 1.00 0.00 H new ATOM 0 HA PHE A 41 -29.786 -5.769 -3.199 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -30.326 -3.701 -4.753 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -28.923 -2.945 -4.024 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -29.764 -6.401 -5.282 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -26.991 -3.121 -5.314 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -28.285 -7.667 -6.818 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -25.511 -4.388 -6.849 1.00 0.00 H new ATOM 0 HZ PHE A 41 -26.158 -6.660 -7.602 1.00 0.00 H new ATOM 650 N SER A 42 -28.094 -3.529 -1.503 1.00 0.00 N ATOM 651 CA SER A 42 -26.912 -3.397 -0.592 1.00 0.00 C ATOM 652 C SER A 42 -27.001 -4.425 0.544 1.00 0.00 C ATOM 653 O SER A 42 -26.003 -4.800 1.132 1.00 0.00 O ATOM 654 CB SER A 42 -26.994 -1.971 -0.039 1.00 0.00 C ATOM 655 OG SER A 42 -28.081 -1.881 0.870 1.00 0.00 O ATOM 0 H SER A 42 -28.641 -2.676 -1.621 1.00 0.00 H new ATOM 0 HA SER A 42 -25.969 -3.578 -1.108 1.00 0.00 H new ATOM 0 HB2 SER A 42 -26.063 -1.710 0.463 1.00 0.00 H new ATOM 0 HB3 SER A 42 -27.127 -1.260 -0.854 1.00 0.00 H new ATOM 0 HG SER A 42 -28.135 -0.970 1.226 1.00 0.00 H new ATOM 661 N LYS A 43 -28.190 -4.888 0.846 1.00 0.00 N ATOM 662 CA LYS A 43 -28.353 -5.900 1.931 1.00 0.00 C ATOM 663 C LYS A 43 -27.723 -7.227 1.500 1.00 0.00 C ATOM 664 O LYS A 43 -27.250 -7.995 2.317 1.00 0.00 O ATOM 665 CB LYS A 43 -29.868 -6.059 2.106 1.00 0.00 C ATOM 666 CG LYS A 43 -30.333 -5.254 3.322 1.00 0.00 C ATOM 667 CD LYS A 43 -29.961 -6.004 4.603 1.00 0.00 C ATOM 668 CE LYS A 43 -30.947 -7.152 4.826 1.00 0.00 C ATOM 669 NZ LYS A 43 -30.664 -7.639 6.205 1.00 0.00 N ATOM 0 H LYS A 43 -29.055 -4.606 0.385 1.00 0.00 H new ATOM 0 HA LYS A 43 -27.868 -5.597 2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -30.386 -5.715 1.210 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -30.121 -7.111 2.236 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -29.869 -4.268 3.318 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -31.411 -5.099 3.278 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -28.945 -6.392 4.528 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -29.980 -5.323 5.454 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -31.978 -6.811 4.731 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -30.804 -7.944 4.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -31.302 -8.428 6.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -29.678 -7.963 6.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -30.815 -6.866 6.884 1.00 0.00 H new ATOM 683 N LYS A 44 -27.714 -7.498 0.219 1.00 0.00 N ATOM 684 CA LYS A 44 -27.117 -8.772 -0.281 1.00 0.00 C ATOM 685 C LYS A 44 -25.642 -8.561 -0.635 1.00 0.00 C ATOM 686 O LYS A 44 -24.792 -9.355 -0.278 1.00 0.00 O ATOM 687 CB LYS A 44 -27.923 -9.123 -1.532 1.00 0.00 C ATOM 688 CG LYS A 44 -29.149 -9.947 -1.134 1.00 0.00 C ATOM 689 CD LYS A 44 -28.741 -11.409 -0.941 1.00 0.00 C ATOM 690 CE LYS A 44 -29.993 -12.270 -0.762 1.00 0.00 C ATOM 691 NZ LYS A 44 -29.529 -13.669 -0.968 1.00 0.00 N ATOM 0 H LYS A 44 -28.096 -6.889 -0.504 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.155 -9.566 0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -28.234 -8.213 -2.044 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -27.304 -9.686 -2.230 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -29.581 -9.554 -0.213 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -29.917 -9.871 -1.904 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -28.169 -11.755 -1.802 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -28.093 -11.505 -0.069 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -30.424 -12.139 0.231 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -30.765 -12.000 -1.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -30.333 -14.321 -0.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -29.130 -13.765 -1.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -28.800 -13.900 -0.263 1.00 0.00 H new ATOM 705 N CYS A 45 -25.335 -7.496 -1.334 1.00 0.00 N ATOM 706 CA CYS A 45 -23.912 -7.230 -1.713 1.00 0.00 C ATOM 707 C CYS A 45 -23.057 -7.059 -0.454 1.00 0.00 C ATOM 708 O CYS A 45 -21.880 -7.366 -0.448 1.00 0.00 O ATOM 709 CB CYS A 45 -23.941 -5.932 -2.526 1.00 0.00 C ATOM 710 SG CYS A 45 -24.696 -6.250 -4.140 1.00 0.00 S ATOM 0 H CYS A 45 -26.007 -6.800 -1.658 1.00 0.00 H new ATOM 0 HA CYS A 45 -23.480 -8.051 -2.285 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -24.506 -5.168 -1.992 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -22.929 -5.548 -2.655 1.00 0.00 H new ATOM 0 HG CYS A 45 -25.340 -5.192 -4.534 1.00 0.00 H new ATOM 716 N SER A 46 -23.646 -6.581 0.613 1.00 0.00 N ATOM 717 CA SER A 46 -22.875 -6.397 1.881 1.00 0.00 C ATOM 718 C SER A 46 -22.588 -7.759 2.515 1.00 0.00 C ATOM 719 O SER A 46 -21.557 -7.963 3.129 1.00 0.00 O ATOM 720 CB SER A 46 -23.781 -5.563 2.789 1.00 0.00 C ATOM 721 OG SER A 46 -25.015 -6.244 2.974 1.00 0.00 O ATOM 0 H SER A 46 -24.628 -6.310 0.661 1.00 0.00 H new ATOM 0 HA SER A 46 -21.915 -5.908 1.714 1.00 0.00 H new ATOM 0 HB2 SER A 46 -23.297 -5.396 3.751 1.00 0.00 H new ATOM 0 HB3 SER A 46 -23.956 -4.583 2.346 1.00 0.00 H new ATOM 0 HG SER A 46 -25.732 -5.751 2.523 1.00 0.00 H new ATOM 727 N GLU A 47 -23.492 -8.693 2.363 1.00 0.00 N ATOM 728 CA GLU A 47 -23.277 -10.052 2.946 1.00 0.00 C ATOM 729 C GLU A 47 -22.212 -10.798 2.139 1.00 0.00 C ATOM 730 O GLU A 47 -21.475 -11.608 2.668 1.00 0.00 O ATOM 731 CB GLU A 47 -24.630 -10.758 2.834 1.00 0.00 C ATOM 732 CG GLU A 47 -25.488 -10.413 4.054 1.00 0.00 C ATOM 733 CD GLU A 47 -24.966 -11.171 5.276 1.00 0.00 C ATOM 734 OE1 GLU A 47 -25.131 -12.378 5.314 1.00 0.00 O ATOM 735 OE2 GLU A 47 -24.412 -10.529 6.153 1.00 0.00 O ATOM 0 H GLU A 47 -24.371 -8.573 1.860 1.00 0.00 H new ATOM 0 HA GLU A 47 -22.931 -10.011 3.979 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -25.138 -10.451 1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -24.485 -11.837 2.771 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -25.460 -9.339 4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.529 -10.677 3.866 1.00 0.00 H new ATOM 742 N ARG A 48 -22.127 -10.521 0.863 1.00 0.00 N ATOM 743 CA ARG A 48 -21.109 -11.200 0.007 1.00 0.00 C ATOM 744 C ARG A 48 -19.810 -10.391 0.003 1.00 0.00 C ATOM 745 O ARG A 48 -18.725 -10.940 0.031 1.00 0.00 O ATOM 746 CB ARG A 48 -21.726 -11.234 -1.392 1.00 0.00 C ATOM 747 CG ARG A 48 -20.932 -12.195 -2.278 1.00 0.00 C ATOM 748 CD ARG A 48 -21.568 -12.251 -3.668 1.00 0.00 C ATOM 749 NE ARG A 48 -20.919 -13.410 -4.341 1.00 0.00 N ATOM 750 CZ ARG A 48 -19.931 -13.214 -5.169 1.00 0.00 C ATOM 751 NH1 ARG A 48 -20.138 -12.587 -6.296 1.00 0.00 N ATOM 752 NH2 ARG A 48 -18.734 -13.644 -4.874 1.00 0.00 N ATOM 0 H ARG A 48 -22.722 -9.851 0.376 1.00 0.00 H new ATOM 0 HA ARG A 48 -20.863 -12.200 0.365 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -22.767 -11.552 -1.334 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -21.722 -10.235 -1.827 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -19.896 -11.865 -2.354 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -20.918 -13.190 -1.833 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -22.648 -12.386 -3.603 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -21.395 -11.327 -4.219 1.00 0.00 H new ATOM 0 HE ARG A 48 -21.247 -14.357 -4.154 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -21.073 -12.251 -6.528 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -19.365 -12.434 -6.944 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.571 -14.134 -3.995 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -17.962 -13.490 -5.523 1.00 0.00 H new ATOM 766 N TRP A 49 -19.918 -9.086 -0.025 1.00 0.00 N ATOM 767 CA TRP A 49 -18.694 -8.224 -0.022 1.00 0.00 C ATOM 768 C TRP A 49 -17.891 -8.464 1.263 1.00 0.00 C ATOM 769 O TRP A 49 -16.693 -8.667 1.228 1.00 0.00 O ATOM 770 CB TRP A 49 -19.224 -6.782 -0.079 1.00 0.00 C ATOM 771 CG TRP A 49 -18.091 -5.806 0.012 1.00 0.00 C ATOM 772 CD1 TRP A 49 -17.932 -4.895 1.000 1.00 0.00 C ATOM 773 CD2 TRP A 49 -16.964 -5.627 -0.894 1.00 0.00 C ATOM 774 NE1 TRP A 49 -16.780 -4.170 0.760 1.00 0.00 N ATOM 775 CE2 TRP A 49 -16.148 -4.583 -0.396 1.00 0.00 C ATOM 776 CE3 TRP A 49 -16.574 -6.263 -2.086 1.00 0.00 C ATOM 777 CZ2 TRP A 49 -14.987 -4.184 -1.058 1.00 0.00 C ATOM 778 CZ3 TRP A 49 -15.405 -5.863 -2.755 1.00 0.00 C ATOM 779 CH2 TRP A 49 -14.613 -4.826 -2.242 1.00 0.00 C ATOM 0 H TRP A 49 -20.802 -8.579 -0.050 1.00 0.00 H new ATOM 0 HA TRP A 49 -18.026 -8.439 -0.856 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -19.773 -6.626 -1.007 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -19.925 -6.613 0.738 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -18.597 -4.757 1.840 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -16.439 -3.422 1.363 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -17.176 -7.063 -2.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -14.381 -3.384 -0.658 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -15.115 -6.357 -3.670 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -13.715 -4.524 -2.761 1.00 0.00 H new ATOM 790 N LYS A 50 -18.550 -8.437 2.392 1.00 0.00 N ATOM 791 CA LYS A 50 -17.838 -8.658 3.688 1.00 0.00 C ATOM 792 C LYS A 50 -17.296 -10.088 3.763 1.00 0.00 C ATOM 793 O LYS A 50 -16.325 -10.355 4.445 1.00 0.00 O ATOM 794 CB LYS A 50 -18.893 -8.419 4.770 1.00 0.00 C ATOM 795 CG LYS A 50 -19.288 -6.941 4.777 1.00 0.00 C ATOM 796 CD LYS A 50 -20.360 -6.700 5.840 1.00 0.00 C ATOM 797 CE LYS A 50 -19.767 -6.944 7.230 1.00 0.00 C ATOM 798 NZ LYS A 50 -20.666 -6.213 8.165 1.00 0.00 N ATOM 0 H LYS A 50 -19.553 -8.271 2.474 1.00 0.00 H new ATOM 0 HA LYS A 50 -16.982 -7.994 3.805 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -19.769 -9.040 4.583 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.501 -8.707 5.746 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.414 -6.322 4.981 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -19.663 -6.650 3.796 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -20.736 -5.679 5.768 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -21.208 -7.364 5.673 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -19.735 -8.008 7.464 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -18.744 -6.572 7.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -20.324 -6.333 9.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -20.672 -5.202 7.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -21.631 -6.593 8.087 1.00 0.00 H new ATOM 812 N THR A 51 -17.916 -11.008 3.065 1.00 0.00 N ATOM 813 CA THR A 51 -17.436 -12.425 3.090 1.00 0.00 C ATOM 814 C THR A 51 -16.619 -12.754 1.829 1.00 0.00 C ATOM 815 O THR A 51 -16.138 -13.862 1.675 1.00 0.00 O ATOM 816 CB THR A 51 -18.709 -13.272 3.134 1.00 0.00 C ATOM 817 OG1 THR A 51 -19.510 -12.979 1.998 1.00 0.00 O ATOM 818 CG2 THR A 51 -19.493 -12.956 4.410 1.00 0.00 C ATOM 0 H THR A 51 -18.734 -10.839 2.479 1.00 0.00 H new ATOM 0 HA THR A 51 -16.781 -12.614 3.941 1.00 0.00 H new ATOM 0 HB THR A 51 -18.442 -14.329 3.128 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.444 -12.873 2.275 1.00 0.00 H new ATOM 0 HG21 THR A 51 -20.400 -13.561 4.439 1.00 0.00 H new ATOM 0 HG22 THR A 51 -18.878 -13.183 5.281 1.00 0.00 H new ATOM 0 HG23 THR A 51 -19.761 -11.900 4.420 1.00 0.00 H new ATOM 826 N MET A 52 -16.460 -11.812 0.928 1.00 0.00 N ATOM 827 CA MET A 52 -15.674 -12.086 -0.317 1.00 0.00 C ATOM 828 C MET A 52 -14.228 -12.440 0.039 1.00 0.00 C ATOM 829 O MET A 52 -13.771 -12.182 1.136 1.00 0.00 O ATOM 830 CB MET A 52 -15.726 -10.785 -1.123 1.00 0.00 C ATOM 831 CG MET A 52 -16.872 -10.855 -2.140 1.00 0.00 C ATOM 832 SD MET A 52 -16.230 -11.359 -3.757 1.00 0.00 S ATOM 833 CE MET A 52 -16.002 -9.698 -4.436 1.00 0.00 C ATOM 0 H MET A 52 -16.840 -10.868 1.001 1.00 0.00 H new ATOM 0 HA MET A 52 -16.079 -12.926 -0.881 1.00 0.00 H new ATOM 0 HB2 MET A 52 -15.871 -9.937 -0.454 1.00 0.00 H new ATOM 0 HB3 MET A 52 -14.779 -10.626 -1.638 1.00 0.00 H new ATOM 0 HG2 MET A 52 -17.627 -11.564 -1.802 1.00 0.00 H new ATOM 0 HG3 MET A 52 -17.360 -9.883 -2.219 1.00 0.00 H new ATOM 0 HE1 MET A 52 -16.433 -9.652 -5.436 1.00 0.00 H new ATOM 0 HE2 MET A 52 -16.498 -8.971 -3.793 1.00 0.00 H new ATOM 0 HE3 MET A 52 -14.938 -9.469 -4.488 1.00 0.00 H new ATOM 843 N SER A 53 -13.509 -13.028 -0.883 1.00 0.00 N ATOM 844 CA SER A 53 -12.090 -13.404 -0.607 1.00 0.00 C ATOM 845 C SER A 53 -11.157 -12.241 -0.953 1.00 0.00 C ATOM 846 O SER A 53 -11.551 -11.290 -1.602 1.00 0.00 O ATOM 847 CB SER A 53 -11.815 -14.600 -1.517 1.00 0.00 C ATOM 848 OG SER A 53 -10.616 -15.241 -1.100 1.00 0.00 O ATOM 0 H SER A 53 -13.844 -13.264 -1.817 1.00 0.00 H new ATOM 0 HA SER A 53 -11.923 -13.643 0.443 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.649 -15.301 -1.477 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.724 -14.271 -2.552 1.00 0.00 H new ATOM 0 HG SER A 53 -10.437 -16.010 -1.681 1.00 0.00 H new ATOM 854 N ALA A 54 -9.924 -12.314 -0.522 1.00 0.00 N ATOM 855 CA ALA A 54 -8.952 -11.216 -0.820 1.00 0.00 C ATOM 856 C ALA A 54 -8.640 -11.159 -2.322 1.00 0.00 C ATOM 857 O ALA A 54 -8.180 -10.153 -2.826 1.00 0.00 O ATOM 858 CB ALA A 54 -7.691 -11.568 -0.028 1.00 0.00 C ATOM 0 H ALA A 54 -9.546 -13.088 0.025 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.350 -10.239 -0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.931 -10.806 -0.197 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.930 -11.613 1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.313 -12.536 -0.357 1.00 0.00 H new ATOM 864 N LYS A 55 -8.889 -12.229 -3.040 1.00 0.00 N ATOM 865 CA LYS A 55 -8.606 -12.232 -4.508 1.00 0.00 C ATOM 866 C LYS A 55 -9.658 -11.399 -5.243 1.00 0.00 C ATOM 867 O LYS A 55 -9.387 -10.804 -6.269 1.00 0.00 O ATOM 868 CB LYS A 55 -8.692 -13.699 -4.933 1.00 0.00 C ATOM 869 CG LYS A 55 -7.438 -14.441 -4.465 1.00 0.00 C ATOM 870 CD LYS A 55 -7.245 -15.701 -5.312 1.00 0.00 C ATOM 871 CE LYS A 55 -8.279 -16.753 -4.907 1.00 0.00 C ATOM 872 NZ LYS A 55 -7.906 -17.974 -5.675 1.00 0.00 N ATOM 0 H LYS A 55 -9.275 -13.098 -2.672 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.632 -11.801 -4.741 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.582 -14.161 -4.505 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.786 -13.770 -6.017 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.565 -13.794 -4.553 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.532 -14.708 -3.412 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.351 -15.460 -6.370 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.238 -16.094 -5.174 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.254 -16.939 -3.833 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.290 -16.427 -5.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.570 -18.742 -5.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.946 -17.769 -6.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.941 -18.265 -5.418 1.00 0.00 H new ATOM 886 N GLU A 56 -10.855 -11.354 -4.720 1.00 0.00 N ATOM 887 CA GLU A 56 -11.937 -10.563 -5.374 1.00 0.00 C ATOM 888 C GLU A 56 -12.034 -9.177 -4.731 1.00 0.00 C ATOM 889 O GLU A 56 -12.324 -8.196 -5.389 1.00 0.00 O ATOM 890 CB GLU A 56 -13.214 -11.362 -5.123 1.00 0.00 C ATOM 891 CG GLU A 56 -13.105 -12.724 -5.808 1.00 0.00 C ATOM 892 CD GLU A 56 -14.506 -13.249 -6.130 1.00 0.00 C ATOM 893 OE1 GLU A 56 -15.178 -12.626 -6.937 1.00 0.00 O ATOM 894 OE2 GLU A 56 -14.882 -14.262 -5.566 1.00 0.00 O ATOM 0 H GLU A 56 -11.130 -11.834 -3.863 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.756 -10.409 -6.438 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.369 -11.493 -4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.077 -10.818 -5.506 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.519 -12.637 -6.723 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.582 -13.427 -5.160 1.00 0.00 H new ATOM 901 N LYS A 57 -11.789 -9.095 -3.449 1.00 0.00 N ATOM 902 CA LYS A 57 -11.860 -7.777 -2.749 1.00 0.00 C ATOM 903 C LYS A 57 -10.643 -6.917 -3.110 1.00 0.00 C ATOM 904 O LYS A 57 -10.693 -5.702 -3.045 1.00 0.00 O ATOM 905 CB LYS A 57 -11.851 -8.115 -1.256 1.00 0.00 C ATOM 906 CG LYS A 57 -13.288 -8.150 -0.730 1.00 0.00 C ATOM 907 CD LYS A 57 -13.306 -8.783 0.663 1.00 0.00 C ATOM 908 CE LYS A 57 -12.672 -7.820 1.671 1.00 0.00 C ATOM 909 NZ LYS A 57 -13.774 -6.900 2.068 1.00 0.00 N ATOM 0 H LYS A 57 -11.542 -9.886 -2.855 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.746 -7.210 -3.033 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.370 -9.080 -1.094 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.270 -7.373 -0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.696 -7.140 -0.687 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.921 -8.721 -1.409 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.331 -9.011 0.957 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.760 -9.726 0.652 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -12.275 -8.356 2.533 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.841 -7.272 1.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -13.389 -5.948 2.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.484 -6.861 1.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.219 -7.248 2.941 1.00 0.00 H new ATOM 923 N SER A 58 -9.552 -7.538 -3.487 1.00 0.00 N ATOM 924 CA SER A 58 -8.328 -6.758 -3.851 1.00 0.00 C ATOM 925 C SER A 58 -8.535 -6.041 -5.188 1.00 0.00 C ATOM 926 O SER A 58 -7.968 -4.993 -5.432 1.00 0.00 O ATOM 927 CB SER A 58 -7.211 -7.796 -3.969 1.00 0.00 C ATOM 928 OG SER A 58 -7.618 -8.826 -4.858 1.00 0.00 O ATOM 0 H SER A 58 -9.456 -8.551 -3.558 1.00 0.00 H new ATOM 0 HA SER A 58 -8.095 -5.992 -3.111 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.298 -7.325 -4.334 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.983 -8.215 -2.989 1.00 0.00 H new ATOM 0 HG SER A 58 -7.768 -9.653 -4.354 1.00 0.00 H new ATOM 934 N LYS A 59 -9.343 -6.601 -6.054 1.00 0.00 N ATOM 935 CA LYS A 59 -9.589 -5.955 -7.380 1.00 0.00 C ATOM 936 C LYS A 59 -10.256 -4.590 -7.187 1.00 0.00 C ATOM 937 O LYS A 59 -10.087 -3.690 -7.989 1.00 0.00 O ATOM 938 CB LYS A 59 -10.528 -6.907 -8.126 1.00 0.00 C ATOM 939 CG LYS A 59 -10.624 -6.484 -9.593 1.00 0.00 C ATOM 940 CD LYS A 59 -11.565 -7.432 -10.338 1.00 0.00 C ATOM 941 CE LYS A 59 -11.946 -6.819 -11.688 1.00 0.00 C ATOM 942 NZ LYS A 59 -13.077 -5.898 -11.386 1.00 0.00 N ATOM 0 H LYS A 59 -9.842 -7.477 -5.900 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.663 -5.785 -7.930 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.158 -7.930 -8.055 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.517 -6.893 -7.667 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.991 -5.460 -9.664 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.636 -6.500 -10.052 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.081 -8.397 -10.489 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.460 -7.614 -9.744 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.106 -6.282 -12.129 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.243 -7.588 -12.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.020 -5.064 -12.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.979 -6.390 -11.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.023 -5.596 -10.392 1.00 0.00 H new ATOM 956 N PHE A 60 -11.009 -4.433 -6.130 1.00 0.00 N ATOM 957 CA PHE A 60 -11.692 -3.129 -5.876 1.00 0.00 C ATOM 958 C PHE A 60 -10.844 -2.261 -4.942 1.00 0.00 C ATOM 959 O PHE A 60 -10.893 -1.046 -4.997 1.00 0.00 O ATOM 960 CB PHE A 60 -13.016 -3.499 -5.208 1.00 0.00 C ATOM 961 CG PHE A 60 -14.033 -3.855 -6.266 1.00 0.00 C ATOM 962 CD1 PHE A 60 -14.493 -2.873 -7.152 1.00 0.00 C ATOM 963 CD2 PHE A 60 -14.514 -5.166 -6.363 1.00 0.00 C ATOM 964 CE1 PHE A 60 -15.435 -3.203 -8.134 1.00 0.00 C ATOM 965 CE2 PHE A 60 -15.457 -5.496 -7.344 1.00 0.00 C ATOM 966 CZ PHE A 60 -15.917 -4.514 -8.229 1.00 0.00 C ATOM 0 H PHE A 60 -11.181 -5.154 -5.429 1.00 0.00 H new ATOM 0 HA PHE A 60 -11.843 -2.557 -6.791 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.871 -4.340 -4.531 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -13.378 -2.665 -4.607 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -14.121 -1.862 -7.078 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -14.157 -5.923 -5.681 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -15.790 -2.446 -8.818 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -15.829 -6.507 -7.418 1.00 0.00 H new ATOM 0 HZ PHE A 60 -16.644 -4.768 -8.986 1.00 0.00 H new ATOM 976 N GLU A 61 -10.068 -2.877 -4.086 1.00 0.00 N ATOM 977 CA GLU A 61 -9.212 -2.093 -3.144 1.00 0.00 C ATOM 978 C GLU A 61 -8.074 -1.410 -3.908 1.00 0.00 C ATOM 979 O GLU A 61 -7.593 -0.364 -3.516 1.00 0.00 O ATOM 980 CB GLU A 61 -8.653 -3.121 -2.158 1.00 0.00 C ATOM 981 CG GLU A 61 -9.704 -3.426 -1.088 1.00 0.00 C ATOM 982 CD GLU A 61 -9.718 -2.303 -0.049 1.00 0.00 C ATOM 983 OE1 GLU A 61 -8.871 -2.326 0.829 1.00 0.00 O ATOM 984 OE2 GLU A 61 -10.575 -1.441 -0.149 1.00 0.00 O ATOM 0 H GLU A 61 -9.990 -3.890 -3.999 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.773 -1.308 -2.637 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.379 -4.035 -2.685 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.745 -2.738 -1.692 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.688 -3.523 -1.547 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.482 -4.378 -0.606 1.00 0.00 H new ATOM 991 N ASP A 62 -7.644 -1.997 -4.996 1.00 0.00 N ATOM 992 CA ASP A 62 -6.537 -1.389 -5.794 1.00 0.00 C ATOM 993 C ASP A 62 -7.099 -0.374 -6.794 1.00 0.00 C ATOM 994 O ASP A 62 -6.433 0.573 -7.167 1.00 0.00 O ATOM 995 CB ASP A 62 -5.889 -2.563 -6.530 1.00 0.00 C ATOM 996 CG ASP A 62 -4.516 -2.143 -7.057 1.00 0.00 C ATOM 997 OD1 ASP A 62 -4.472 -1.255 -7.894 1.00 0.00 O ATOM 998 OD2 ASP A 62 -3.533 -2.713 -6.615 1.00 0.00 O ATOM 0 H ASP A 62 -8.013 -2.873 -5.367 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.823 -0.855 -5.168 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.787 -3.415 -5.858 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.524 -2.883 -7.356 1.00 0.00 H new ATOM 1003 N MET A 63 -8.320 -0.566 -7.225 1.00 0.00 N ATOM 1004 CA MET A 63 -8.934 0.384 -8.202 1.00 0.00 C ATOM 1005 C MET A 63 -9.398 1.655 -7.483 1.00 0.00 C ATOM 1006 O MET A 63 -9.441 2.724 -8.062 1.00 0.00 O ATOM 1007 CB MET A 63 -10.130 -0.365 -8.792 1.00 0.00 C ATOM 1008 CG MET A 63 -9.641 -1.361 -9.844 1.00 0.00 C ATOM 1009 SD MET A 63 -11.063 -2.120 -10.665 1.00 0.00 S ATOM 1010 CE MET A 63 -11.422 -0.758 -11.801 1.00 0.00 C ATOM 0 H MET A 63 -8.919 -1.341 -6.942 1.00 0.00 H new ATOM 0 HA MET A 63 -8.229 0.693 -8.973 1.00 0.00 H new ATOM 0 HB2 MET A 63 -10.669 -0.889 -8.003 1.00 0.00 H new ATOM 0 HB3 MET A 63 -10.829 0.341 -9.241 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.013 -0.853 -10.576 1.00 0.00 H new ATOM 0 HG3 MET A 63 -9.026 -2.129 -9.375 1.00 0.00 H new ATOM 0 HE1 MET A 63 -12.473 -0.482 -11.718 1.00 0.00 H new ATOM 0 HE2 MET A 63 -10.801 0.101 -11.547 1.00 0.00 H new ATOM 0 HE3 MET A 63 -11.209 -1.071 -12.823 1.00 0.00 H new ATOM 1020 N ALA A 64 -9.745 1.542 -6.225 1.00 0.00 N ATOM 1021 CA ALA A 64 -10.209 2.740 -5.461 1.00 0.00 C ATOM 1022 C ALA A 64 -9.007 3.565 -4.991 1.00 0.00 C ATOM 1023 O ALA A 64 -9.014 4.779 -5.056 1.00 0.00 O ATOM 1024 CB ALA A 64 -10.973 2.176 -4.263 1.00 0.00 C ATOM 0 H ALA A 64 -9.727 0.671 -5.694 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.831 3.400 -6.066 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.347 2.997 -3.651 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.811 1.575 -4.616 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.306 1.553 -3.667 1.00 0.00 H new ATOM 1030 N LYS A 65 -7.977 2.910 -4.517 1.00 0.00 N ATOM 1031 CA LYS A 65 -6.767 3.650 -4.040 1.00 0.00 C ATOM 1032 C LYS A 65 -6.043 4.296 -5.224 1.00 0.00 C ATOM 1033 O LYS A 65 -5.408 5.325 -5.086 1.00 0.00 O ATOM 1034 CB LYS A 65 -5.879 2.590 -3.383 1.00 0.00 C ATOM 1035 CG LYS A 65 -5.064 3.233 -2.258 1.00 0.00 C ATOM 1036 CD LYS A 65 -3.805 3.876 -2.843 1.00 0.00 C ATOM 1037 CE LYS A 65 -2.794 4.128 -1.722 1.00 0.00 C ATOM 1038 NZ LYS A 65 -1.470 4.175 -2.405 1.00 0.00 N ATOM 0 H LYS A 65 -7.921 1.894 -4.439 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.023 4.451 -3.346 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.493 1.782 -2.986 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.212 2.149 -4.124 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.664 3.984 -1.744 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.791 2.482 -1.517 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.369 3.225 -3.601 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.058 4.814 -3.337 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.004 5.063 -1.203 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.826 3.335 -0.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.723 4.345 -1.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.295 3.269 -2.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.468 4.944 -3.105 1.00 0.00 H new ATOM 1052 N SER A 66 -6.136 3.699 -6.385 1.00 0.00 N ATOM 1053 CA SER A 66 -5.456 4.275 -7.587 1.00 0.00 C ATOM 1054 C SER A 66 -6.055 5.641 -7.927 1.00 0.00 C ATOM 1055 O SER A 66 -5.359 6.545 -8.351 1.00 0.00 O ATOM 1056 CB SER A 66 -5.718 3.278 -8.717 1.00 0.00 C ATOM 1057 OG SER A 66 -5.051 3.717 -9.892 1.00 0.00 O ATOM 0 H SER A 66 -6.654 2.837 -6.554 1.00 0.00 H new ATOM 0 HA SER A 66 -4.389 4.426 -7.422 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.365 2.287 -8.433 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.789 3.193 -8.902 1.00 0.00 H new ATOM 0 HG SER A 66 -5.215 3.080 -10.619 1.00 0.00 H new ATOM 1063 N ASP A 67 -7.342 5.795 -7.743 1.00 0.00 N ATOM 1064 CA ASP A 67 -7.998 7.101 -8.052 1.00 0.00 C ATOM 1065 C ASP A 67 -7.944 8.024 -6.831 1.00 0.00 C ATOM 1066 O ASP A 67 -7.923 9.234 -6.958 1.00 0.00 O ATOM 1067 CB ASP A 67 -9.447 6.746 -8.391 1.00 0.00 C ATOM 1068 CG ASP A 67 -9.510 6.155 -9.801 1.00 0.00 C ATOM 1069 OD1 ASP A 67 -9.541 6.927 -10.745 1.00 0.00 O ATOM 1070 OD2 ASP A 67 -9.528 4.940 -9.913 1.00 0.00 O ATOM 0 H ASP A 67 -7.968 5.070 -7.391 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.504 7.627 -8.869 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.836 6.030 -7.667 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.075 7.635 -8.329 1.00 0.00 H new ATOM 1075 N LYS A 68 -7.921 7.458 -5.650 1.00 0.00 N ATOM 1076 CA LYS A 68 -7.867 8.296 -4.412 1.00 0.00 C ATOM 1077 C LYS A 68 -6.600 9.156 -4.405 1.00 0.00 C ATOM 1078 O LYS A 68 -6.570 10.226 -3.827 1.00 0.00 O ATOM 1079 CB LYS A 68 -7.843 7.300 -3.250 1.00 0.00 C ATOM 1080 CG LYS A 68 -8.639 7.867 -2.073 1.00 0.00 C ATOM 1081 CD LYS A 68 -8.739 6.813 -0.969 1.00 0.00 C ATOM 1082 CE LYS A 68 -9.076 7.495 0.359 1.00 0.00 C ATOM 1083 NZ LYS A 68 -9.682 6.424 1.198 1.00 0.00 N ATOM 0 H LYS A 68 -7.937 6.451 -5.489 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.715 8.978 -4.345 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.269 6.347 -3.565 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.815 7.104 -2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.153 8.765 -1.690 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.636 8.160 -2.402 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.507 6.081 -1.219 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.797 6.271 -0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.183 7.907 0.829 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.770 8.323 0.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.940 6.815 2.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.534 6.055 0.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.996 5.653 1.326 1.00 0.00 H new ATOM 1097 N ALA A 69 -5.555 8.693 -5.045 1.00 0.00 N ATOM 1098 CA ALA A 69 -4.284 9.479 -5.080 1.00 0.00 C ATOM 1099 C ALA A 69 -4.418 10.661 -6.046 1.00 0.00 C ATOM 1100 O ALA A 69 -3.790 11.688 -5.874 1.00 0.00 O ATOM 1101 CB ALA A 69 -3.220 8.500 -5.578 1.00 0.00 C ATOM 0 H ALA A 69 -5.528 7.804 -5.545 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.031 9.892 -4.104 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.256 9.006 -5.630 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.151 7.657 -4.890 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.494 8.138 -6.569 1.00 0.00 H new ATOM 1107 N ARG A 70 -5.236 10.519 -7.059 1.00 0.00 N ATOM 1108 CA ARG A 70 -5.418 11.631 -8.042 1.00 0.00 C ATOM 1109 C ARG A 70 -5.983 12.873 -7.343 1.00 0.00 C ATOM 1110 O ARG A 70 -5.777 13.988 -7.784 1.00 0.00 O ATOM 1111 CB ARG A 70 -6.416 11.099 -9.074 1.00 0.00 C ATOM 1112 CG ARG A 70 -6.374 11.978 -10.326 1.00 0.00 C ATOM 1113 CD ARG A 70 -5.156 11.602 -11.174 1.00 0.00 C ATOM 1114 NE ARG A 70 -5.540 10.334 -11.855 1.00 0.00 N ATOM 1115 CZ ARG A 70 -5.169 10.118 -13.087 1.00 0.00 C ATOM 1116 NH1 ARG A 70 -3.930 9.809 -13.351 1.00 0.00 N ATOM 1117 NH2 ARG A 70 -6.039 10.209 -14.056 1.00 0.00 N ATOM 0 H ARG A 70 -5.786 9.681 -7.248 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.475 11.926 -8.503 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.173 10.068 -9.332 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.422 11.094 -8.654 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.288 11.848 -10.905 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.323 13.029 -10.043 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.921 12.383 -11.897 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.270 11.465 -10.554 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.093 9.635 -11.358 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.250 9.736 -12.594 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.641 9.640 -14.314 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.009 10.449 -13.850 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.749 10.040 -15.019 1.00 0.00 H new ATOM 1131 N TYR A 71 -6.694 12.686 -6.260 1.00 0.00 N ATOM 1132 CA TYR A 71 -7.278 13.856 -5.528 1.00 0.00 C ATOM 1133 C TYR A 71 -6.166 14.804 -5.066 1.00 0.00 C ATOM 1134 O TYR A 71 -6.374 15.995 -4.932 1.00 0.00 O ATOM 1135 CB TYR A 71 -8.003 13.255 -4.321 1.00 0.00 C ATOM 1136 CG TYR A 71 -8.912 14.296 -3.712 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -8.366 15.386 -3.023 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -10.301 14.171 -3.834 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -9.209 16.350 -2.458 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -11.143 15.135 -3.269 1.00 0.00 C ATOM 1141 CZ TYR A 71 -10.598 16.225 -2.581 1.00 0.00 C ATOM 1142 OH TYR A 71 -11.428 17.175 -2.023 1.00 0.00 O ATOM 0 H TYR A 71 -6.897 11.775 -5.849 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.951 14.437 -6.158 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -8.583 12.385 -4.628 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.279 12.911 -3.582 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.295 15.483 -2.928 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.723 13.330 -4.364 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -8.788 17.191 -1.927 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -12.214 15.038 -3.364 1.00 0.00 H new ATOM 0 HH TYR A 71 -12.362 16.938 -2.201 1.00 0.00 H new ATOM 1152 N ASP A 72 -4.991 14.281 -4.824 1.00 0.00 N ATOM 1153 CA ASP A 72 -3.861 15.145 -4.369 1.00 0.00 C ATOM 1154 C ASP A 72 -3.173 15.793 -5.574 1.00 0.00 C ATOM 1155 O ASP A 72 -2.666 16.896 -5.491 1.00 0.00 O ATOM 1156 CB ASP A 72 -2.901 14.197 -3.650 1.00 0.00 C ATOM 1157 CG ASP A 72 -1.890 15.012 -2.841 1.00 0.00 C ATOM 1158 OD1 ASP A 72 -2.279 15.557 -1.820 1.00 0.00 O ATOM 1159 OD2 ASP A 72 -0.744 15.076 -3.254 1.00 0.00 O ATOM 0 H ASP A 72 -4.765 13.291 -4.922 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.196 15.955 -3.720 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.457 13.530 -2.991 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.382 13.570 -4.374 1.00 0.00 H new ATOM 1164 N ARG A 73 -3.154 15.113 -6.693 1.00 0.00 N ATOM 1165 CA ARG A 73 -2.501 15.680 -7.910 1.00 0.00 C ATOM 1166 C ARG A 73 -3.554 16.289 -8.840 1.00 0.00 C ATOM 1167 O ARG A 73 -3.505 16.117 -10.043 1.00 0.00 O ATOM 1168 CB ARG A 73 -1.815 14.490 -8.583 1.00 0.00 C ATOM 1169 CG ARG A 73 -0.565 14.105 -7.789 1.00 0.00 C ATOM 1170 CD ARG A 73 0.581 15.053 -8.152 1.00 0.00 C ATOM 1171 NE ARG A 73 1.475 15.046 -6.961 1.00 0.00 N ATOM 1172 CZ ARG A 73 2.056 16.148 -6.574 1.00 0.00 C ATOM 1173 NH1 ARG A 73 1.341 17.212 -6.333 1.00 0.00 N ATOM 1174 NH2 ARG A 73 3.353 16.187 -6.430 1.00 0.00 N ATOM 0 H ARG A 73 -3.564 14.187 -6.815 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.794 16.474 -7.667 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.500 13.644 -8.636 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.544 14.745 -9.608 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.770 14.157 -6.720 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.283 13.075 -8.010 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.108 14.713 -9.044 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.212 16.057 -8.363 1.00 0.00 H new ATOM 0 HE ARG A 73 1.633 14.179 -6.448 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.328 17.182 -6.447 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.795 18.074 -6.030 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.912 15.356 -6.620 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.807 17.049 -6.127 1.00 0.00 H new ATOM 1188 N GLU A 74 -4.505 16.998 -8.288 1.00 0.00 N ATOM 1189 CA GLU A 74 -5.567 17.623 -9.131 1.00 0.00 C ATOM 1190 C GLU A 74 -5.652 19.127 -8.849 1.00 0.00 C ATOM 1191 O GLU A 74 -5.800 19.927 -9.753 1.00 0.00 O ATOM 1192 CB GLU A 74 -6.863 16.926 -8.716 1.00 0.00 C ATOM 1193 CG GLU A 74 -7.989 17.330 -9.670 1.00 0.00 C ATOM 1194 CD GLU A 74 -9.223 16.468 -9.397 1.00 0.00 C ATOM 1195 OE1 GLU A 74 -9.609 16.371 -8.244 1.00 0.00 O ATOM 1196 OE2 GLU A 74 -9.761 15.922 -10.345 1.00 0.00 O ATOM 0 H GLU A 74 -4.592 17.171 -7.287 1.00 0.00 H new ATOM 0 HA GLU A 74 -5.367 17.511 -10.197 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -6.728 15.845 -8.733 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.123 17.199 -7.693 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.232 18.384 -9.537 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.667 17.205 -10.704 1.00 0.00 H new ATOM 1203 N MET A 75 -5.559 19.511 -7.601 1.00 0.00 N ATOM 1204 CA MET A 75 -5.634 20.961 -7.250 1.00 0.00 C ATOM 1205 C MET A 75 -4.266 21.622 -7.437 1.00 0.00 C ATOM 1206 O MET A 75 -4.167 22.742 -7.901 1.00 0.00 O ATOM 1207 CB MET A 75 -6.048 20.992 -5.778 1.00 0.00 C ATOM 1208 CG MET A 75 -7.574 21.001 -5.677 1.00 0.00 C ATOM 1209 SD MET A 75 -8.186 22.683 -5.943 1.00 0.00 S ATOM 1210 CE MET A 75 -7.588 23.392 -4.391 1.00 0.00 C ATOM 0 H MET A 75 -5.434 18.881 -6.809 1.00 0.00 H new ATOM 0 HA MET A 75 -6.337 21.503 -7.882 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.644 20.124 -5.257 1.00 0.00 H new ATOM 0 HB3 MET A 75 -5.636 21.876 -5.292 1.00 0.00 H new ATOM 0 HG2 MET A 75 -8.002 20.325 -6.418 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.886 20.640 -4.697 1.00 0.00 H new ATOM 0 HE1 MET A 75 -8.271 24.175 -4.062 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.536 22.612 -3.631 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.596 23.817 -4.543 1.00 0.00 H new ATOM 1220 N LYS A 76 -3.211 20.933 -7.080 1.00 0.00 N ATOM 1221 CA LYS A 76 -1.843 21.513 -7.232 1.00 0.00 C ATOM 1222 C LYS A 76 -0.834 20.413 -7.574 1.00 0.00 C ATOM 1223 O LYS A 76 -0.913 19.309 -7.069 1.00 0.00 O ATOM 1224 CB LYS A 76 -1.520 22.149 -5.874 1.00 0.00 C ATOM 1225 CG LYS A 76 -1.567 21.086 -4.769 1.00 0.00 C ATOM 1226 CD LYS A 76 -1.805 21.765 -3.418 1.00 0.00 C ATOM 1227 CE LYS A 76 -2.251 20.720 -2.394 1.00 0.00 C ATOM 1228 NZ LYS A 76 -3.070 21.476 -1.405 1.00 0.00 N ATOM 0 H LYS A 76 -3.239 19.991 -6.689 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.794 22.244 -8.039 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.532 22.609 -5.905 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.235 22.943 -5.656 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.362 20.369 -4.973 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.632 20.527 -4.747 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.892 22.255 -3.079 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.565 22.540 -3.517 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.833 19.928 -2.866 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.394 20.245 -1.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.413 20.826 -0.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.488 22.218 -0.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.882 21.912 -1.887 1.00 0.00 H new ATOM 1242 N ASN A 77 0.112 20.708 -8.429 1.00 0.00 N ATOM 1243 CA ASN A 77 1.132 19.687 -8.811 1.00 0.00 C ATOM 1244 C ASN A 77 2.445 19.946 -8.067 1.00 0.00 C ATOM 1245 O ASN A 77 3.464 19.445 -8.513 1.00 0.00 O ATOM 1246 CB ASN A 77 1.325 19.863 -10.318 1.00 0.00 C ATOM 1247 CG ASN A 77 0.116 19.290 -11.059 1.00 0.00 C ATOM 1248 OD1 ASN A 77 -1.014 19.595 -10.731 1.00 0.00 O ATOM 1249 ND2 ASN A 77 0.306 18.465 -12.052 1.00 0.00 N ATOM 1250 OXT ASN A 77 2.407 20.641 -7.065 1.00 0.00 O ATOM 0 H ASN A 77 0.222 21.616 -8.880 1.00 0.00 H new ATOM 0 HA ASN A 77 0.818 18.675 -8.556 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.445 20.919 -10.559 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.235 19.357 -10.640 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.493 18.077 -12.552 1.00 0.00 H new ATOM 0 HD22 ASN A 77 1.254 18.209 -12.328 1.00 0.00 H new TER 1257 ASN A 77