USER MOD reduce.3.24.130724 H: found=0, std=0, add=1030, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 1031 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 34 SER OG : rot -143:sc= 0.155 USER MOD Set 1.2: B 55 THR OG1 : rot 180:sc= 0.149 USER MOD Set 2.1: A 15 TYR OH : rot 180:sc= 0.0988 USER MOD Set 2.2: A 45 SER OG : rot 59:sc= -0.657! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0628) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 165:sc= 0.985 (180deg=0.843) USER MOD Single : A 12 MET CE :methyl 143:sc= -1.64 (180deg=-4.92!) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0327 USER MOD Single : A 14 SER OG : rot 170:sc= -0.681 USER MOD Single : A 20 GLN : amide:sc= 0.273 K(o=0.27,f=-0.27) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 94:sc= 1.15 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 27 LYS NZ :NH3+ -154:sc= 1.95 (180deg=1.18) USER MOD Single : A 28 LYS NZ :NH3+ -144:sc= 0.849 (180deg=-1.78) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= -1.17! K(o=-1.2!,f=-0.05) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0255 USER MOD Single : A 41 SER OG : rot 49:sc= 0.819 USER MOD Single : A 42 LYS NZ :NH3+ 166:sc= 1.17 (180deg=0.883) USER MOD Single : A 43 LYS NZ :NH3+ -168:sc= -2.02! (180deg=-3.18!) USER MOD Single : A 44 CYS SG : rot 172:sc= 0.436 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -82:sc= 1.28 USER MOD Single : A 51 MET CE :methyl -141:sc= -1.73 (180deg=-3.16!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 166:sc= -0.0949 (180deg=-0.365) USER MOD Single : A 56 LYS NZ :NH3+ -174:sc= 0.303 (180deg=0.289) USER MOD Single : A 58 LYS NZ :NH3+ -177:sc= 0.555 (180deg=0.531) USER MOD Single : A 62 MET CE :methyl -166:sc= -0.105 (180deg=-0.486) USER MOD Single : A 64 LYS NZ :NH3+ 154:sc= -0.403! (180deg=-2.29!) USER MOD Single : A 67 LYS NZ :NH3+ 158:sc= -0.0743 (180deg=-0.417) USER MOD Single : A 70 TYR OH : rot -99:sc= 0.107 USER MOD Single : A 74 MET CE :methyl 144:sc= -1.72! (180deg=-3.67!) USER MOD Single : A 75 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0544) USER MOD Single : A 76 THR OG1 : rot 3:sc= 1.19 USER MOD Single : A 77 TYR OH : rot -150:sc= 1.24 USER MOD Single : A 81 LYS NZ :NH3+ -161:sc= -0.056 (180deg=-0.403) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= -1.24 K(o=-1.2,f=-0.0073) USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot 76:sc= 0.0571 USER MOD Single : B 24 LYS NZ :NH3+ -151:sc= -0.163 (180deg=-1.28) USER MOD Single : B 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 ASN : amide:sc= -0.981 K(o=-0.98,f=-0.42) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 37 SER OG : rot 180:sc= 0.0169 USER MOD Single : B 38 GLN : amide:sc= -0.493 K(o=-0.49,f=-4.4!) USER MOD Single : B 40 MET CE :methyl -159:sc= -0.247 (180deg=-0.973) USER MOD Single : B 44 MET CE :methyl 176:sc= -5.3! (180deg=-5.47!) USER MOD Single : B 46 SER OG : rot 132:sc= 1.28 USER MOD Single : B 52 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.868 16.616 -14.231 1.00 0.00 N ATOM 2 CA GLY A 1 16.316 15.732 -15.334 1.00 0.00 C ATOM 3 C GLY A 1 15.255 14.727 -15.727 1.00 0.00 C ATOM 4 O GLY A 1 14.451 14.984 -16.622 1.00 0.00 O ATOM 0 H1 GLY A 1 16.626 17.288 -13.995 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.021 17.140 -14.529 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.643 16.040 -13.395 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.578 16.339 -16.201 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.220 15.204 -15.030 1.00 0.00 H new ATOM 10 N LYS A 2 15.244 13.581 -15.060 1.00 0.00 N ATOM 11 CA LYS A 2 14.262 12.546 -15.343 1.00 0.00 C ATOM 12 C LYS A 2 13.282 12.410 -14.182 1.00 0.00 C ATOM 13 O LYS A 2 12.067 12.445 -14.376 1.00 0.00 O ATOM 14 CB LYS A 2 14.965 11.213 -15.621 1.00 0.00 C ATOM 15 CG LYS A 2 14.021 10.032 -15.817 1.00 0.00 C ATOM 16 CD LYS A 2 13.060 10.241 -16.981 1.00 0.00 C ATOM 17 CE LYS A 2 13.790 10.400 -18.304 1.00 0.00 C ATOM 18 NZ LYS A 2 12.844 10.499 -19.445 1.00 0.00 N1+ ATOM 0 H LYS A 2 15.905 13.346 -14.319 1.00 0.00 H new ATOM 0 HA LYS A 2 13.698 12.830 -16.232 1.00 0.00 H new ATOM 0 HB2 LYS A 2 15.582 11.321 -16.513 1.00 0.00 H new ATOM 0 HB3 LYS A 2 15.638 10.991 -14.792 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.606 9.128 -15.990 1.00 0.00 H new ATOM 0 HG3 LYS A 2 13.450 9.872 -14.903 1.00 0.00 H new ATOM 0 HD2 LYS A 2 12.378 9.393 -17.044 1.00 0.00 H new ATOM 0 HD3 LYS A 2 12.452 11.126 -16.794 1.00 0.00 H new ATOM 0 HE2 LYS A 2 14.414 11.293 -18.270 1.00 0.00 H new ATOM 0 HE3 LYS A 2 14.456 9.551 -18.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 13.378 10.607 -20.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 12.266 9.636 -19.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.225 11.324 -19.312 1.00 0.00 H new ATOM 32 N GLY A 3 13.815 12.272 -12.979 1.00 0.00 N ATOM 33 CA GLY A 3 12.975 12.136 -11.806 1.00 0.00 C ATOM 34 C GLY A 3 13.649 12.680 -10.569 1.00 0.00 C ATOM 35 O GLY A 3 14.810 13.090 -10.623 1.00 0.00 O ATOM 0 H GLY A 3 14.818 12.252 -12.792 1.00 0.00 H new ATOM 0 HA2 GLY A 3 12.035 12.662 -11.969 1.00 0.00 H new ATOM 0 HA3 GLY A 3 12.730 11.085 -11.654 1.00 0.00 H new ATOM 39 N ASP A 4 12.930 12.695 -9.460 1.00 0.00 N ATOM 40 CA ASP A 4 13.479 13.183 -8.203 1.00 0.00 C ATOM 41 C ASP A 4 13.689 12.028 -7.230 1.00 0.00 C ATOM 42 O ASP A 4 12.737 11.421 -6.741 1.00 0.00 O ATOM 43 CB ASP A 4 12.578 14.268 -7.590 1.00 0.00 C ATOM 44 CG ASP A 4 11.148 13.811 -7.356 1.00 0.00 C ATOM 45 OD1 ASP A 4 10.459 13.454 -8.337 1.00 0.00 O1- ATOM 46 OD2 ASP A 4 10.702 13.828 -6.196 1.00 0.00 O ATOM 0 H ASP A 4 11.963 12.375 -9.403 1.00 0.00 H new ATOM 0 HA ASP A 4 14.448 13.638 -8.407 1.00 0.00 H new ATOM 0 HB2 ASP A 4 13.007 14.591 -6.642 1.00 0.00 H new ATOM 0 HB3 ASP A 4 12.570 15.136 -8.249 1.00 0.00 H new ATOM 51 N PRO A 5 14.960 11.692 -6.952 1.00 0.00 N ATOM 52 CA PRO A 5 15.312 10.583 -6.071 1.00 0.00 C ATOM 53 C PRO A 5 15.337 10.989 -4.602 1.00 0.00 C ATOM 54 O PRO A 5 15.829 10.254 -3.748 1.00 0.00 O ATOM 55 CB PRO A 5 16.711 10.209 -6.551 1.00 0.00 C ATOM 56 CG PRO A 5 17.305 11.495 -7.015 1.00 0.00 C ATOM 57 CD PRO A 5 16.161 12.354 -7.499 1.00 0.00 C ATOM 0 HA PRO A 5 14.590 9.768 -6.118 1.00 0.00 H new ATOM 0 HB2 PRO A 5 17.301 9.767 -5.748 1.00 0.00 H new ATOM 0 HB3 PRO A 5 16.671 9.477 -7.358 1.00 0.00 H new ATOM 0 HG2 PRO A 5 17.842 11.987 -6.204 1.00 0.00 H new ATOM 0 HG3 PRO A 5 18.024 11.322 -7.815 1.00 0.00 H new ATOM 0 HD2 PRO A 5 16.251 13.379 -7.138 1.00 0.00 H new ATOM 0 HD3 PRO A 5 16.130 12.401 -8.588 1.00 0.00 H new ATOM 65 N LYS A 6 14.797 12.163 -4.321 1.00 0.00 N ATOM 66 CA LYS A 6 14.716 12.666 -2.956 1.00 0.00 C ATOM 67 C LYS A 6 13.286 12.577 -2.458 1.00 0.00 C ATOM 68 O LYS A 6 12.912 13.214 -1.474 1.00 0.00 O ATOM 69 CB LYS A 6 15.193 14.119 -2.871 1.00 0.00 C ATOM 70 CG LYS A 6 16.652 14.335 -3.239 1.00 0.00 C ATOM 71 CD LYS A 6 17.052 15.788 -3.027 1.00 0.00 C ATOM 72 CE LYS A 6 18.512 16.043 -3.373 1.00 0.00 C ATOM 73 NZ LYS A 6 18.790 15.839 -4.819 1.00 0.00 N1+ ATOM 0 H LYS A 6 14.405 12.790 -5.023 1.00 0.00 H new ATOM 0 HA LYS A 6 15.365 12.052 -2.332 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.573 14.729 -3.528 1.00 0.00 H new ATOM 0 HB3 LYS A 6 15.032 14.480 -1.855 1.00 0.00 H new ATOM 0 HG2 LYS A 6 17.285 13.687 -2.633 1.00 0.00 H new ATOM 0 HG3 LYS A 6 16.815 14.056 -4.280 1.00 0.00 H new ATOM 0 HD2 LYS A 6 16.419 16.430 -3.640 1.00 0.00 H new ATOM 0 HD3 LYS A 6 16.874 16.063 -1.987 1.00 0.00 H new ATOM 0 HE2 LYS A 6 18.777 17.063 -3.094 1.00 0.00 H new ATOM 0 HE3 LYS A 6 19.144 15.377 -2.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 19.769 16.121 -5.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 18.660 14.836 -5.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 18.136 16.418 -5.383 1.00 0.00 H new ATOM 87 N LYS A 7 12.494 11.781 -3.146 1.00 0.00 N ATOM 88 CA LYS A 7 11.084 11.659 -2.832 1.00 0.00 C ATOM 89 C LYS A 7 10.858 10.512 -1.859 1.00 0.00 C ATOM 90 O LYS A 7 11.252 9.371 -2.118 1.00 0.00 O ATOM 91 CB LYS A 7 10.283 11.445 -4.110 1.00 0.00 C ATOM 92 CG LYS A 7 8.884 12.030 -4.057 1.00 0.00 C ATOM 93 CD LYS A 7 8.237 12.021 -5.428 1.00 0.00 C ATOM 94 CE LYS A 7 6.950 12.822 -5.442 1.00 0.00 C ATOM 95 NZ LYS A 7 6.399 12.940 -6.815 1.00 0.00 N1+ ATOM 0 H LYS A 7 12.804 11.206 -3.930 1.00 0.00 H new ATOM 0 HA LYS A 7 10.745 12.581 -2.359 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.822 11.891 -4.946 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.213 10.376 -4.310 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.273 11.457 -3.359 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.927 13.051 -3.679 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.931 12.433 -6.161 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.030 10.993 -5.727 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.216 12.344 -4.794 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.135 13.817 -5.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.519 13.494 -6.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.091 13.418 -7.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.200 11.991 -7.192 1.00 0.00 H new ATOM 109 N PRO A 8 10.239 10.810 -0.715 1.00 0.00 N ATOM 110 CA PRO A 8 9.999 9.839 0.335 1.00 0.00 C ATOM 111 C PRO A 8 8.648 9.133 0.210 1.00 0.00 C ATOM 112 O PRO A 8 7.689 9.686 -0.330 1.00 0.00 O ATOM 113 CB PRO A 8 10.034 10.697 1.606 1.00 0.00 C ATOM 114 CG PRO A 8 9.827 12.121 1.166 1.00 0.00 C ATOM 115 CD PRO A 8 9.740 12.130 -0.340 1.00 0.00 C ATOM 0 HA PRO A 8 10.731 9.031 0.311 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.255 10.389 2.303 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.987 10.585 2.123 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.915 12.527 1.604 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.651 12.749 1.505 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.717 12.285 -0.683 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.345 12.926 -0.773 1.00 0.00 H new ATOM 123 N ARG A 9 8.595 7.898 0.693 1.00 0.00 N ATOM 124 CA ARG A 9 7.339 7.172 0.818 1.00 0.00 C ATOM 125 C ARG A 9 6.618 7.632 2.079 1.00 0.00 C ATOM 126 O ARG A 9 5.551 8.239 2.014 1.00 0.00 O ATOM 127 CB ARG A 9 7.601 5.662 0.844 1.00 0.00 C ATOM 128 CG ARG A 9 7.697 5.034 -0.544 1.00 0.00 C ATOM 129 CD ARG A 9 8.330 3.655 -0.498 1.00 0.00 C ATOM 130 NE ARG A 9 9.770 3.699 -0.242 1.00 0.00 N ATOM 131 CZ ARG A 9 10.521 2.607 -0.087 1.00 0.00 C ATOM 132 NH1 ARG A 9 9.951 1.413 -0.123 1.00 0.00 N1+ ATOM 133 NH2 ARG A 9 11.834 2.706 0.089 1.00 0.00 N ATOM 0 H ARG A 9 9.413 7.376 1.006 1.00 0.00 H new ATOM 0 HA ARG A 9 6.704 7.381 -0.042 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.528 5.472 1.384 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.802 5.173 1.400 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.700 4.962 -0.980 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.284 5.681 -1.196 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.846 3.064 0.279 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.150 3.146 -1.445 1.00 0.00 H new ATOM 0 HE ARG A 9 10.223 4.611 -0.179 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.945 1.332 -0.268 1.00 0.00 H new ATOM 0 HH12 ARG A 9 10.518 0.573 -0.005 1.00 0.00 H new ATOM 0 HH21 ARG A 9 12.278 3.624 0.107 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.398 1.864 0.206 1.00 0.00 H new ATOM 147 N GLY A 10 7.220 7.333 3.217 1.00 0.00 N ATOM 148 CA GLY A 10 6.828 7.940 4.477 1.00 0.00 C ATOM 149 C GLY A 10 5.438 7.570 4.967 1.00 0.00 C ATOM 150 O GLY A 10 5.268 6.587 5.685 1.00 0.00 O ATOM 0 H GLY A 10 7.989 6.667 3.294 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.553 7.656 5.240 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.883 9.024 4.373 1.00 0.00 H new ATOM 154 N LYS A 11 4.443 8.355 4.561 1.00 0.00 N ATOM 155 CA LYS A 11 3.097 8.280 5.134 1.00 0.00 C ATOM 156 C LYS A 11 2.276 7.132 4.556 1.00 0.00 C ATOM 157 O LYS A 11 1.046 7.174 4.561 1.00 0.00 O ATOM 158 CB LYS A 11 2.356 9.608 4.960 1.00 0.00 C ATOM 159 CG LYS A 11 2.955 10.728 5.789 1.00 0.00 C ATOM 160 CD LYS A 11 2.000 11.899 5.939 1.00 0.00 C ATOM 161 CE LYS A 11 2.584 12.951 6.867 1.00 0.00 C ATOM 162 NZ LYS A 11 1.608 14.022 7.215 1.00 0.00 N1+ ATOM 0 H LYS A 11 4.544 9.058 3.829 1.00 0.00 H new ATOM 0 HA LYS A 11 3.222 8.080 6.198 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.372 9.892 3.908 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.311 9.475 5.239 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.219 10.347 6.776 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.878 11.071 5.322 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.800 12.339 4.962 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.046 11.549 6.333 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.930 12.470 7.782 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.457 13.401 6.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.961 14.561 8.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.490 14.661 6.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.692 13.592 7.454 1.00 0.00 H new ATOM 176 N MET A 12 2.962 6.120 4.052 1.00 0.00 N ATOM 177 CA MET A 12 2.312 4.904 3.588 1.00 0.00 C ATOM 178 C MET A 12 1.444 4.315 4.695 1.00 0.00 C ATOM 179 O MET A 12 1.834 4.324 5.865 1.00 0.00 O ATOM 180 CB MET A 12 3.358 3.876 3.170 1.00 0.00 C ATOM 181 CG MET A 12 4.271 4.345 2.055 1.00 0.00 C ATOM 182 SD MET A 12 5.604 3.174 1.729 1.00 0.00 S ATOM 183 CE MET A 12 4.662 1.688 1.439 1.00 0.00 C ATOM 0 H MET A 12 3.977 6.116 3.953 1.00 0.00 H new ATOM 0 HA MET A 12 1.686 5.153 2.731 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.965 3.616 4.038 1.00 0.00 H new ATOM 0 HB3 MET A 12 2.851 2.965 2.852 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.687 4.490 1.146 1.00 0.00 H new ATOM 0 HG3 MET A 12 4.696 5.313 2.319 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.137 1.104 0.651 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.623 1.098 2.354 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.650 1.953 1.134 1.00 0.00 H new ATOM 193 N SER A 13 0.271 3.824 4.329 1.00 0.00 N ATOM 194 CA SER A 13 -0.610 3.171 5.284 1.00 0.00 C ATOM 195 C SER A 13 0.079 1.957 5.901 1.00 0.00 C ATOM 196 O SER A 13 0.946 1.345 5.275 1.00 0.00 O ATOM 197 CB SER A 13 -1.914 2.744 4.599 1.00 0.00 C ATOM 198 OG SER A 13 -2.710 1.952 5.467 1.00 0.00 O ATOM 0 H SER A 13 -0.093 3.865 3.377 1.00 0.00 H new ATOM 0 HA SER A 13 -0.845 3.880 6.078 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.474 3.628 4.292 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.686 2.181 3.694 1.00 0.00 H new ATOM 0 HG SER A 13 -3.537 1.694 5.008 1.00 0.00 H new ATOM 204 N SER A 14 -0.302 1.615 7.125 1.00 0.00 N ATOM 205 CA SER A 14 0.237 0.440 7.798 1.00 0.00 C ATOM 206 C SER A 14 -0.016 -0.811 6.959 1.00 0.00 C ATOM 207 O SER A 14 0.779 -1.752 6.966 1.00 0.00 O ATOM 208 CB SER A 14 -0.411 0.301 9.172 1.00 0.00 C ATOM 209 OG SER A 14 -0.458 1.560 9.825 1.00 0.00 O ATOM 0 H SER A 14 -0.985 2.137 7.674 1.00 0.00 H new ATOM 0 HA SER A 14 1.314 0.557 7.922 1.00 0.00 H new ATOM 0 HB2 SER A 14 -1.419 -0.099 9.067 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.153 -0.409 9.777 1.00 0.00 H new ATOM 0 HG SER A 14 -1.015 1.491 10.628 1.00 0.00 H new ATOM 215 N TYR A 15 -1.123 -0.788 6.219 1.00 0.00 N ATOM 216 CA TYR A 15 -1.488 -1.869 5.315 1.00 0.00 C ATOM 217 C TYR A 15 -0.419 -2.016 4.235 1.00 0.00 C ATOM 218 O TYR A 15 0.080 -3.113 3.969 1.00 0.00 O ATOM 219 CB TYR A 15 -2.842 -1.550 4.670 1.00 0.00 C ATOM 220 CG TYR A 15 -3.604 -2.752 4.153 1.00 0.00 C ATOM 221 CD1 TYR A 15 -2.956 -3.845 3.590 1.00 0.00 C ATOM 222 CD2 TYR A 15 -4.990 -2.781 4.229 1.00 0.00 C ATOM 223 CE1 TYR A 15 -3.669 -4.931 3.119 1.00 0.00 C ATOM 224 CE2 TYR A 15 -5.707 -3.860 3.761 1.00 0.00 C ATOM 225 CZ TYR A 15 -5.044 -4.931 3.207 1.00 0.00 C ATOM 226 OH TYR A 15 -5.763 -6.007 2.744 1.00 0.00 O ATOM 0 H TYR A 15 -1.791 -0.017 6.232 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.562 -2.804 5.870 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.463 -1.032 5.401 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.680 -0.859 3.843 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.878 -3.846 3.519 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.515 -1.943 4.663 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.152 -5.774 2.685 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -6.785 -3.865 3.829 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.720 -5.845 2.883 1.00 0.00 H new ATOM 236 N ALA A 16 -0.067 -0.891 3.626 1.00 0.00 N ATOM 237 CA ALA A 16 0.934 -0.866 2.574 1.00 0.00 C ATOM 238 C ALA A 16 2.317 -1.141 3.133 1.00 0.00 C ATOM 239 O ALA A 16 3.117 -1.835 2.509 1.00 0.00 O ATOM 240 CB ALA A 16 0.922 0.474 1.867 1.00 0.00 C ATOM 0 H ALA A 16 -0.465 0.022 3.847 1.00 0.00 H new ATOM 0 HA ALA A 16 0.689 -1.650 1.858 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.677 0.478 1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.060 0.644 1.427 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.140 1.266 2.584 1.00 0.00 H new ATOM 246 N PHE A 17 2.591 -0.589 4.308 1.00 0.00 N ATOM 247 CA PHE A 17 3.894 -0.733 4.938 1.00 0.00 C ATOM 248 C PHE A 17 4.165 -2.188 5.286 1.00 0.00 C ATOM 249 O PHE A 17 5.289 -2.662 5.150 1.00 0.00 O ATOM 250 CB PHE A 17 3.992 0.134 6.190 1.00 0.00 C ATOM 251 CG PHE A 17 5.243 0.957 6.230 1.00 0.00 C ATOM 252 CD1 PHE A 17 5.304 2.162 5.554 1.00 0.00 C ATOM 253 CD2 PHE A 17 6.356 0.526 6.930 1.00 0.00 C ATOM 254 CE1 PHE A 17 6.453 2.926 5.574 1.00 0.00 C ATOM 255 CE2 PHE A 17 7.510 1.283 6.958 1.00 0.00 C ATOM 256 CZ PHE A 17 7.559 2.486 6.277 1.00 0.00 C ATOM 0 H PHE A 17 1.924 -0.035 4.845 1.00 0.00 H new ATOM 0 HA PHE A 17 4.649 -0.398 4.226 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.126 0.795 6.238 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.954 -0.505 7.072 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.442 2.509 5.004 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.321 -0.414 7.461 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.488 3.865 5.042 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.372 0.937 7.510 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.460 3.081 6.294 1.00 0.00 H new ATOM 266 N PHE A 18 3.122 -2.888 5.721 1.00 0.00 N ATOM 267 CA PHE A 18 3.204 -4.317 5.991 1.00 0.00 C ATOM 268 C PHE A 18 3.716 -5.064 4.762 1.00 0.00 C ATOM 269 O PHE A 18 4.653 -5.857 4.846 1.00 0.00 O ATOM 270 CB PHE A 18 1.822 -4.841 6.406 1.00 0.00 C ATOM 271 CG PHE A 18 1.646 -6.325 6.241 1.00 0.00 C ATOM 272 CD1 PHE A 18 2.206 -7.216 7.142 1.00 0.00 C ATOM 273 CD2 PHE A 18 0.912 -6.825 5.182 1.00 0.00 C ATOM 274 CE1 PHE A 18 2.036 -8.580 6.984 1.00 0.00 C ATOM 275 CE2 PHE A 18 0.739 -8.180 5.020 1.00 0.00 C ATOM 276 CZ PHE A 18 1.300 -9.060 5.919 1.00 0.00 C ATOM 0 H PHE A 18 2.202 -2.483 5.895 1.00 0.00 H new ATOM 0 HA PHE A 18 3.907 -4.487 6.806 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.646 -4.580 7.450 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.061 -4.329 5.817 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.781 -6.842 7.976 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.468 -6.143 4.472 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.477 -9.267 7.691 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.163 -8.554 4.187 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.164 -10.124 5.791 1.00 0.00 H new ATOM 286 N VAL A 19 3.099 -4.793 3.625 1.00 0.00 N ATOM 287 CA VAL A 19 3.487 -5.420 2.370 1.00 0.00 C ATOM 288 C VAL A 19 4.866 -4.943 1.933 1.00 0.00 C ATOM 289 O VAL A 19 5.713 -5.737 1.521 1.00 0.00 O ATOM 290 CB VAL A 19 2.447 -5.112 1.272 1.00 0.00 C ATOM 291 CG1 VAL A 19 2.900 -5.616 -0.088 1.00 0.00 C ATOM 292 CG2 VAL A 19 1.114 -5.730 1.640 1.00 0.00 C ATOM 0 H VAL A 19 2.321 -4.138 3.544 1.00 0.00 H new ATOM 0 HA VAL A 19 3.527 -6.498 2.526 1.00 0.00 H new ATOM 0 HB VAL A 19 2.341 -4.029 1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.141 -5.380 -0.834 1.00 0.00 H new ATOM 0 HG12 VAL A 19 3.839 -5.134 -0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.045 -6.696 -0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.383 -5.510 0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.228 -6.810 1.736 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.770 -5.316 2.588 1.00 0.00 H new ATOM 302 N GLN A 20 5.090 -3.644 2.059 1.00 0.00 N ATOM 303 CA GLN A 20 6.334 -3.029 1.631 1.00 0.00 C ATOM 304 C GLN A 20 7.527 -3.586 2.397 1.00 0.00 C ATOM 305 O GLN A 20 8.482 -4.053 1.786 1.00 0.00 O ATOM 306 CB GLN A 20 6.252 -1.509 1.792 1.00 0.00 C ATOM 307 CG GLN A 20 7.500 -0.762 1.343 1.00 0.00 C ATOM 308 CD GLN A 20 8.338 -0.269 2.506 1.00 0.00 C ATOM 309 OE1 GLN A 20 9.227 -0.965 2.989 1.00 0.00 O ATOM 310 NE2 GLN A 20 8.053 0.938 2.966 1.00 0.00 N ATOM 0 H GLN A 20 4.417 -2.990 2.459 1.00 0.00 H new ATOM 0 HA GLN A 20 6.482 -3.267 0.578 1.00 0.00 H new ATOM 0 HB2 GLN A 20 5.398 -1.141 1.223 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.061 -1.276 2.840 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.105 -1.418 0.717 1.00 0.00 H new ATOM 0 HG3 GLN A 20 7.207 0.087 0.726 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.306 1.484 2.536 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.580 1.322 3.750 1.00 0.00 H new ATOM 319 N THR A 21 7.463 -3.564 3.725 1.00 0.00 N ATOM 320 CA THR A 21 8.602 -3.967 4.544 1.00 0.00 C ATOM 321 C THR A 21 8.950 -5.444 4.327 1.00 0.00 C ATOM 322 O THR A 21 10.125 -5.804 4.271 1.00 0.00 O ATOM 323 CB THR A 21 8.368 -3.680 6.052 1.00 0.00 C ATOM 324 OG1 THR A 21 9.580 -3.894 6.788 1.00 0.00 O ATOM 325 CG2 THR A 21 7.261 -4.552 6.634 1.00 0.00 C ATOM 0 H THR A 21 6.641 -3.274 4.254 1.00 0.00 H new ATOM 0 HA THR A 21 9.449 -3.362 4.221 1.00 0.00 H new ATOM 0 HB THR A 21 8.058 -2.639 6.140 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.423 -3.709 7.738 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.131 -4.318 7.691 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.329 -4.360 6.103 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.530 -5.603 6.526 1.00 0.00 H new ATOM 333 N CYS A 22 7.933 -6.287 4.168 1.00 0.00 N ATOM 334 CA CYS A 22 8.159 -7.712 3.951 1.00 0.00 C ATOM 335 C CYS A 22 8.780 -7.952 2.579 1.00 0.00 C ATOM 336 O CYS A 22 9.723 -8.737 2.438 1.00 0.00 O ATOM 337 CB CYS A 22 6.846 -8.485 4.079 1.00 0.00 C ATOM 338 SG CYS A 22 6.022 -8.277 5.674 1.00 0.00 S ATOM 0 H CYS A 22 6.951 -6.010 4.185 1.00 0.00 H new ATOM 0 HA CYS A 22 8.851 -8.070 4.713 1.00 0.00 H new ATOM 0 HB2 CYS A 22 6.169 -8.164 3.287 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.043 -9.545 3.919 1.00 0.00 H new ATOM 0 HG CYS A 22 5.154 -7.313 5.591 1.00 0.00 H new ATOM 344 N ARG A 23 8.257 -7.260 1.576 1.00 0.00 N ATOM 345 CA ARG A 23 8.771 -7.371 0.218 1.00 0.00 C ATOM 346 C ARG A 23 10.177 -6.805 0.122 1.00 0.00 C ATOM 347 O ARG A 23 11.082 -7.446 -0.399 1.00 0.00 O ATOM 348 CB ARG A 23 7.881 -6.610 -0.763 1.00 0.00 C ATOM 349 CG ARG A 23 8.409 -6.637 -2.187 1.00 0.00 C ATOM 350 CD ARG A 23 8.248 -5.291 -2.874 1.00 0.00 C ATOM 351 NE ARG A 23 9.041 -4.235 -2.234 1.00 0.00 N ATOM 352 CZ ARG A 23 10.117 -3.670 -2.795 1.00 0.00 C ATOM 353 NH1 ARG A 23 10.594 -4.146 -3.935 1.00 0.00 N1+ ATOM 354 NH2 ARG A 23 10.727 -2.640 -2.214 1.00 0.00 N ATOM 0 H ARG A 23 7.474 -6.614 1.678 1.00 0.00 H new ATOM 0 HA ARG A 23 8.782 -8.431 -0.036 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.879 -7.039 -0.745 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.790 -5.575 -0.435 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.462 -6.917 -2.179 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.880 -7.401 -2.756 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.546 -5.382 -3.919 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.196 -5.006 -2.866 1.00 0.00 H new ATOM 0 HE ARG A 23 8.756 -3.913 -1.309 1.00 0.00 H new ATOM 0 HH11 ARG A 23 10.142 -4.942 -4.384 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.414 -3.717 -4.364 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.376 -2.272 -1.330 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.546 -2.219 -2.652 1.00 0.00 H new ATOM 368 N GLU A 24 10.341 -5.597 0.636 1.00 0.00 N ATOM 369 CA GLU A 24 11.565 -4.843 0.454 1.00 0.00 C ATOM 370 C GLU A 24 12.725 -5.443 1.240 1.00 0.00 C ATOM 371 O GLU A 24 13.869 -5.381 0.795 1.00 0.00 O ATOM 372 CB GLU A 24 11.321 -3.377 0.814 1.00 0.00 C ATOM 373 CG GLU A 24 12.572 -2.520 0.814 1.00 0.00 C ATOM 374 CD GLU A 24 12.274 -1.081 0.470 1.00 0.00 C ATOM 375 OE1 GLU A 24 11.215 -0.830 -0.141 1.00 0.00 O ATOM 376 OE2 GLU A 24 13.108 -0.206 0.777 1.00 0.00 O1- ATOM 0 H GLU A 24 9.631 -5.115 1.188 1.00 0.00 H new ATOM 0 HA GLU A 24 11.856 -4.897 -0.595 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.605 -2.955 0.108 1.00 0.00 H new ATOM 0 HB3 GLU A 24 10.861 -3.329 1.801 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.044 -2.568 1.796 1.00 0.00 H new ATOM 0 HG3 GLU A 24 13.287 -2.923 0.097 1.00 0.00 H new ATOM 383 N GLU A 25 12.439 -6.045 2.386 1.00 0.00 N ATOM 384 CA GLU A 25 13.467 -6.773 3.121 1.00 0.00 C ATOM 385 C GLU A 25 13.970 -7.940 2.273 1.00 0.00 C ATOM 386 O GLU A 25 15.173 -8.185 2.164 1.00 0.00 O ATOM 387 CB GLU A 25 12.922 -7.288 4.451 1.00 0.00 C ATOM 388 CG GLU A 25 13.933 -8.095 5.238 1.00 0.00 C ATOM 389 CD GLU A 25 13.387 -8.601 6.551 1.00 0.00 C ATOM 390 OE1 GLU A 25 12.529 -9.504 6.530 1.00 0.00 O ATOM 391 OE2 GLU A 25 13.832 -8.117 7.612 1.00 0.00 O1- ATOM 0 H GLU A 25 11.517 -6.045 2.823 1.00 0.00 H new ATOM 0 HA GLU A 25 14.293 -6.094 3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.594 -6.441 5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 25 12.043 -7.904 4.262 1.00 0.00 H new ATOM 0 HG2 GLU A 25 14.262 -8.942 4.636 1.00 0.00 H new ATOM 0 HG3 GLU A 25 14.812 -7.480 5.429 1.00 0.00 H new ATOM 398 N HIS A 26 13.030 -8.638 1.652 1.00 0.00 N ATOM 399 CA HIS A 26 13.343 -9.743 0.757 1.00 0.00 C ATOM 400 C HIS A 26 14.040 -9.226 -0.505 1.00 0.00 C ATOM 401 O HIS A 26 14.877 -9.914 -1.090 1.00 0.00 O ATOM 402 CB HIS A 26 12.049 -10.496 0.404 1.00 0.00 C ATOM 403 CG HIS A 26 12.216 -11.599 -0.599 1.00 0.00 C ATOM 404 ND1 HIS A 26 11.329 -11.804 -1.634 1.00 0.00 N ATOM 405 CD2 HIS A 26 13.163 -12.561 -0.723 1.00 0.00 C ATOM 406 CE1 HIS A 26 11.723 -12.839 -2.352 1.00 0.00 C ATOM 407 NE2 HIS A 26 12.831 -13.315 -1.821 1.00 0.00 N ATOM 0 H HIS A 26 12.032 -8.455 1.754 1.00 0.00 H new ATOM 0 HA HIS A 26 14.025 -10.432 1.255 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.629 -10.916 1.318 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.323 -9.780 0.019 1.00 0.00 H new ATOM 0 HD2 HIS A 26 14.018 -12.707 -0.079 1.00 0.00 H new ATOM 0 HE1 HIS A 26 11.223 -13.229 -3.226 1.00 0.00 H new ATOM 0 HE2 HIS A 26 13.358 -14.116 -2.170 1.00 0.00 H new ATOM 416 N LYS A 27 13.695 -8.007 -0.900 1.00 0.00 N ATOM 417 CA LYS A 27 14.284 -7.368 -2.071 1.00 0.00 C ATOM 418 C LYS A 27 15.720 -6.933 -1.776 1.00 0.00 C ATOM 419 O LYS A 27 16.543 -6.803 -2.683 1.00 0.00 O ATOM 420 CB LYS A 27 13.434 -6.159 -2.486 1.00 0.00 C ATOM 421 CG LYS A 27 13.843 -5.528 -3.806 1.00 0.00 C ATOM 422 CD LYS A 27 13.666 -6.494 -4.968 1.00 0.00 C ATOM 423 CE LYS A 27 13.912 -5.812 -6.303 1.00 0.00 C ATOM 424 NZ LYS A 27 15.318 -5.344 -6.453 1.00 0.00 N1+ ATOM 0 H LYS A 27 13.001 -7.434 -0.420 1.00 0.00 H new ATOM 0 HA LYS A 27 14.305 -8.085 -2.892 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.391 -6.469 -2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.492 -5.403 -1.703 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.246 -4.633 -3.982 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.884 -5.211 -3.751 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.354 -7.331 -4.854 1.00 0.00 H new ATOM 0 HD3 LYS A 27 12.657 -6.906 -4.949 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.675 -6.505 -7.111 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.237 -4.962 -6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 15.348 -4.543 -7.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.684 -5.042 -5.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 15.905 -6.120 -6.821 1.00 0.00 H new ATOM 438 N LYS A 28 16.009 -6.693 -0.504 1.00 0.00 N ATOM 439 CA LYS A 28 17.363 -6.380 -0.078 1.00 0.00 C ATOM 440 C LYS A 28 18.226 -7.635 -0.077 1.00 0.00 C ATOM 441 O LYS A 28 19.318 -7.646 -0.645 1.00 0.00 O ATOM 442 CB LYS A 28 17.362 -5.738 1.308 1.00 0.00 C ATOM 443 CG LYS A 28 17.518 -4.225 1.279 1.00 0.00 C ATOM 444 CD LYS A 28 16.377 -3.538 0.542 1.00 0.00 C ATOM 445 CE LYS A 28 16.581 -2.033 0.496 1.00 0.00 C ATOM 446 NZ LYS A 28 15.486 -1.339 -0.231 1.00 0.00 N1+ ATOM 0 H LYS A 28 15.322 -6.710 0.250 1.00 0.00 H new ATOM 0 HA LYS A 28 17.784 -5.667 -0.787 1.00 0.00 H new ATOM 0 HB2 LYS A 28 16.430 -5.989 1.815 1.00 0.00 H new ATOM 0 HB3 LYS A 28 18.172 -6.167 1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 28 17.566 -3.848 2.301 1.00 0.00 H new ATOM 0 HG3 LYS A 28 18.463 -3.969 0.800 1.00 0.00 H new ATOM 0 HD2 LYS A 28 16.308 -3.930 -0.473 1.00 0.00 H new ATOM 0 HD3 LYS A 28 15.432 -3.765 1.036 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.642 -1.645 1.513 1.00 0.00 H new ATOM 0 HE3 LYS A 28 17.533 -1.812 0.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.877 -0.534 -0.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.033 -2.002 -0.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.781 -0.994 0.451 1.00 0.00 H new ATOM 460 N LYS A 29 17.732 -8.694 0.561 1.00 0.00 N ATOM 461 CA LYS A 29 18.441 -9.971 0.589 1.00 0.00 C ATOM 462 C LYS A 29 18.615 -10.526 -0.823 1.00 0.00 C ATOM 463 O LYS A 29 19.689 -11.003 -1.186 1.00 0.00 O ATOM 464 CB LYS A 29 17.686 -10.977 1.456 1.00 0.00 C ATOM 465 CG LYS A 29 17.440 -10.483 2.867 1.00 0.00 C ATOM 466 CD LYS A 29 16.516 -11.414 3.631 1.00 0.00 C ATOM 467 CE LYS A 29 16.069 -10.782 4.937 1.00 0.00 C ATOM 468 NZ LYS A 29 17.166 -10.721 5.940 1.00 0.00 N1+ ATOM 0 H LYS A 29 16.845 -8.693 1.065 1.00 0.00 H new ATOM 0 HA LYS A 29 19.429 -9.802 1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.729 -11.206 0.986 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.252 -11.908 1.497 1.00 0.00 H new ATOM 0 HG2 LYS A 29 18.390 -10.399 3.395 1.00 0.00 H new ATOM 0 HG3 LYS A 29 17.005 -9.484 2.833 1.00 0.00 H new ATOM 0 HD2 LYS A 29 15.645 -11.650 3.020 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.028 -12.355 3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.701 -9.775 4.743 1.00 0.00 H new ATOM 0 HE3 LYS A 29 15.236 -11.352 5.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.813 -10.282 6.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 17.501 -11.684 6.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 17.952 -10.155 5.561 1.00 0.00 H new ATOM 482 N HIS A 30 17.555 -10.450 -1.618 1.00 0.00 N ATOM 483 CA HIS A 30 17.588 -10.943 -2.990 1.00 0.00 C ATOM 484 C HIS A 30 17.238 -9.819 -3.955 1.00 0.00 C ATOM 485 O HIS A 30 16.072 -9.599 -4.275 1.00 0.00 O ATOM 486 CB HIS A 30 16.617 -12.114 -3.179 1.00 0.00 C ATOM 487 CG HIS A 30 17.021 -13.370 -2.468 1.00 0.00 C ATOM 488 ND1 HIS A 30 17.599 -14.442 -3.110 1.00 0.00 N ATOM 489 CD2 HIS A 30 16.917 -13.728 -1.167 1.00 0.00 C ATOM 490 CE1 HIS A 30 17.834 -15.403 -2.236 1.00 0.00 C ATOM 491 NE2 HIS A 30 17.428 -14.993 -1.048 1.00 0.00 N ATOM 0 H HIS A 30 16.660 -10.051 -1.336 1.00 0.00 H new ATOM 0 HA HIS A 30 18.597 -11.299 -3.199 1.00 0.00 H new ATOM 0 HB2 HIS A 30 15.630 -11.813 -2.828 1.00 0.00 H new ATOM 0 HB3 HIS A 30 16.525 -12.327 -4.244 1.00 0.00 H new ATOM 0 HD2 HIS A 30 16.507 -13.127 -0.369 1.00 0.00 H new ATOM 0 HE1 HIS A 30 18.282 -16.361 -2.455 1.00 0.00 H new ATOM 0 HE2 HIS A 30 17.486 -15.531 -0.183 1.00 0.00 H new ATOM 500 N PRO A 31 18.253 -9.082 -4.425 1.00 0.00 N ATOM 501 CA PRO A 31 18.057 -7.921 -5.295 1.00 0.00 C ATOM 502 C PRO A 31 17.553 -8.309 -6.677 1.00 0.00 C ATOM 503 O PRO A 31 16.922 -7.507 -7.367 1.00 0.00 O ATOM 504 CB PRO A 31 19.456 -7.292 -5.391 1.00 0.00 C ATOM 505 CG PRO A 31 20.252 -7.936 -4.306 1.00 0.00 C ATOM 506 CD PRO A 31 19.674 -9.307 -4.137 1.00 0.00 C ATOM 0 HA PRO A 31 17.302 -7.244 -4.896 1.00 0.00 H new ATOM 0 HB2 PRO A 31 19.903 -7.474 -6.368 1.00 0.00 H new ATOM 0 HB3 PRO A 31 19.411 -6.211 -5.258 1.00 0.00 H new ATOM 0 HG2 PRO A 31 21.308 -7.987 -4.572 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.184 -7.366 -3.380 1.00 0.00 H new ATOM 0 HD2 PRO A 31 20.120 -10.025 -4.825 1.00 0.00 H new ATOM 0 HD3 PRO A 31 19.829 -9.693 -3.129 1.00 0.00 H new ATOM 514 N ASP A 32 17.819 -9.549 -7.062 1.00 0.00 N ATOM 515 CA ASP A 32 17.442 -10.046 -8.379 1.00 0.00 C ATOM 516 C ASP A 32 16.030 -10.609 -8.353 1.00 0.00 C ATOM 517 O ASP A 32 15.435 -10.870 -9.401 1.00 0.00 O ATOM 518 CB ASP A 32 18.404 -11.144 -8.833 1.00 0.00 C ATOM 519 CG ASP A 32 19.854 -10.730 -8.749 1.00 0.00 C ATOM 520 OD1 ASP A 32 20.313 -9.974 -9.621 1.00 0.00 O ATOM 521 OD2 ASP A 32 20.546 -11.167 -7.804 1.00 0.00 O1- ATOM 0 H ASP A 32 18.298 -10.234 -6.477 1.00 0.00 H new ATOM 0 HA ASP A 32 17.488 -9.210 -9.077 1.00 0.00 H new ATOM 0 HB2 ASP A 32 18.249 -12.032 -8.219 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.170 -11.422 -9.861 1.00 0.00 H new ATOM 526 N ALA A 33 15.502 -10.796 -7.155 1.00 0.00 N ATOM 527 CA ALA A 33 14.199 -11.410 -6.987 1.00 0.00 C ATOM 528 C ALA A 33 13.091 -10.373 -6.998 1.00 0.00 C ATOM 529 O ALA A 33 12.987 -9.552 -6.086 1.00 0.00 O ATOM 530 CB ALA A 33 14.145 -12.205 -5.695 1.00 0.00 C ATOM 0 H ALA A 33 15.959 -10.530 -6.283 1.00 0.00 H new ATOM 0 HA ALA A 33 14.045 -12.084 -7.829 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.159 -12.658 -5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 33 14.903 -12.988 -5.717 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.333 -11.541 -4.851 1.00 0.00 H new ATOM 536 N SER A 34 12.276 -10.406 -8.035 1.00 0.00 N ATOM 537 CA SER A 34 11.087 -9.584 -8.080 1.00 0.00 C ATOM 538 C SER A 34 9.890 -10.464 -7.744 1.00 0.00 C ATOM 539 O SER A 34 9.772 -11.581 -8.255 1.00 0.00 O ATOM 540 CB SER A 34 10.928 -8.937 -9.461 1.00 0.00 C ATOM 541 OG SER A 34 10.202 -7.722 -9.375 1.00 0.00 O ATOM 0 H SER A 34 12.417 -10.994 -8.856 1.00 0.00 H new ATOM 0 HA SER A 34 11.162 -8.774 -7.354 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.911 -8.747 -9.892 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.413 -9.625 -10.131 1.00 0.00 H new ATOM 0 HG SER A 34 9.621 -7.632 -10.159 1.00 0.00 H new ATOM 547 N VAL A 35 9.027 -9.985 -6.863 1.00 0.00 N ATOM 548 CA VAL A 35 7.917 -10.793 -6.379 1.00 0.00 C ATOM 549 C VAL A 35 6.823 -10.903 -7.436 1.00 0.00 C ATOM 550 O VAL A 35 6.683 -10.030 -8.294 1.00 0.00 O ATOM 551 CB VAL A 35 7.298 -10.211 -5.083 1.00 0.00 C ATOM 552 CG1 VAL A 35 8.366 -9.904 -4.047 1.00 0.00 C ATOM 553 CG2 VAL A 35 6.480 -8.968 -5.383 1.00 0.00 C ATOM 0 H VAL A 35 9.072 -9.045 -6.469 1.00 0.00 H new ATOM 0 HA VAL A 35 8.324 -11.780 -6.161 1.00 0.00 H new ATOM 0 HB VAL A 35 6.635 -10.970 -4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.897 -9.497 -3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.901 -10.819 -3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.067 -9.175 -4.452 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.056 -8.579 -4.457 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.121 -8.211 -5.835 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.674 -9.220 -6.073 1.00 0.00 H new ATOM 563 N ASN A 36 6.067 -11.988 -7.384 1.00 0.00 N ATOM 564 CA ASN A 36 4.850 -12.099 -8.173 1.00 0.00 C ATOM 565 C ASN A 36 3.778 -11.227 -7.538 1.00 0.00 C ATOM 566 O ASN A 36 3.331 -11.510 -6.427 1.00 0.00 O ATOM 567 CB ASN A 36 4.363 -13.551 -8.237 1.00 0.00 C ATOM 568 CG ASN A 36 5.184 -14.435 -9.159 1.00 0.00 C ATOM 569 OD1 ASN A 36 5.379 -15.617 -8.885 1.00 0.00 O ATOM 570 ND2 ASN A 36 5.646 -13.887 -10.268 1.00 0.00 N ATOM 0 H ASN A 36 6.273 -12.802 -6.806 1.00 0.00 H new ATOM 0 HA ASN A 36 5.056 -11.769 -9.191 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.381 -13.975 -7.233 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.325 -13.561 -8.569 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.183 -14.448 -10.929 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.465 -12.902 -10.464 1.00 0.00 H new ATOM 577 N PHE A 37 3.390 -10.159 -8.224 1.00 0.00 N ATOM 578 CA PHE A 37 2.433 -9.204 -7.677 1.00 0.00 C ATOM 579 C PHE A 37 1.134 -9.892 -7.258 1.00 0.00 C ATOM 580 O PHE A 37 0.674 -9.714 -6.131 1.00 0.00 O ATOM 581 CB PHE A 37 2.145 -8.094 -8.688 1.00 0.00 C ATOM 582 CG PHE A 37 1.252 -7.017 -8.143 1.00 0.00 C ATOM 583 CD1 PHE A 37 1.669 -6.223 -7.087 1.00 0.00 C ATOM 584 CD2 PHE A 37 -0.007 -6.809 -8.679 1.00 0.00 C ATOM 585 CE1 PHE A 37 0.845 -5.239 -6.576 1.00 0.00 C ATOM 586 CE2 PHE A 37 -0.834 -5.829 -8.171 1.00 0.00 C ATOM 587 CZ PHE A 37 -0.408 -5.043 -7.118 1.00 0.00 C ATOM 0 H PHE A 37 3.723 -9.932 -9.161 1.00 0.00 H new ATOM 0 HA PHE A 37 2.879 -8.761 -6.787 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.087 -7.649 -9.008 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.681 -8.529 -9.573 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.649 -6.375 -6.659 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.345 -7.420 -9.503 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.181 -4.625 -5.754 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.815 -5.676 -8.597 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.055 -4.276 -6.720 1.00 0.00 H new ATOM 597 N SER A 38 0.563 -10.682 -8.160 1.00 0.00 N ATOM 598 CA SER A 38 -0.674 -11.405 -7.883 1.00 0.00 C ATOM 599 C SER A 38 -0.517 -12.281 -6.635 1.00 0.00 C ATOM 600 O SER A 38 -1.387 -12.308 -5.763 1.00 0.00 O ATOM 601 CB SER A 38 -1.037 -12.263 -9.095 1.00 0.00 C ATOM 602 OG SER A 38 -0.863 -11.525 -10.294 1.00 0.00 O ATOM 0 H SER A 38 0.939 -10.839 -9.095 1.00 0.00 H new ATOM 0 HA SER A 38 -1.474 -10.689 -7.694 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.412 -13.156 -9.116 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.071 -12.599 -9.014 1.00 0.00 H new ATOM 0 HG SER A 38 -1.097 -12.088 -11.061 1.00 0.00 H new ATOM 608 N GLU A 39 0.615 -12.972 -6.561 1.00 0.00 N ATOM 609 CA GLU A 39 0.953 -13.806 -5.416 1.00 0.00 C ATOM 610 C GLU A 39 1.017 -12.995 -4.132 1.00 0.00 C ATOM 611 O GLU A 39 0.245 -13.221 -3.197 1.00 0.00 O ATOM 612 CB GLU A 39 2.314 -14.463 -5.642 1.00 0.00 C ATOM 613 CG GLU A 39 2.252 -15.820 -6.308 1.00 0.00 C ATOM 614 CD GLU A 39 1.783 -16.891 -5.349 1.00 0.00 C ATOM 615 OE1 GLU A 39 0.616 -16.839 -4.908 1.00 0.00 O1- ATOM 616 OE2 GLU A 39 2.594 -17.767 -4.993 1.00 0.00 O ATOM 0 H GLU A 39 1.324 -12.969 -7.294 1.00 0.00 H new ATOM 0 HA GLU A 39 0.172 -14.560 -5.316 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.927 -13.800 -6.253 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.818 -14.567 -4.681 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.577 -15.776 -7.163 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.237 -16.082 -6.693 1.00 0.00 H new ATOM 623 N PHE A 40 1.945 -12.049 -4.111 1.00 0.00 N ATOM 624 CA PHE A 40 2.300 -11.329 -2.901 1.00 0.00 C ATOM 625 C PHE A 40 1.142 -10.477 -2.393 1.00 0.00 C ATOM 626 O PHE A 40 0.818 -10.511 -1.207 1.00 0.00 O ATOM 627 CB PHE A 40 3.530 -10.461 -3.176 1.00 0.00 C ATOM 628 CG PHE A 40 4.246 -10.004 -1.939 1.00 0.00 C ATOM 629 CD1 PHE A 40 4.965 -10.903 -1.170 1.00 0.00 C ATOM 630 CD2 PHE A 40 4.209 -8.678 -1.551 1.00 0.00 C ATOM 631 CE1 PHE A 40 5.633 -10.486 -0.035 1.00 0.00 C ATOM 632 CE2 PHE A 40 4.874 -8.256 -0.417 1.00 0.00 C ATOM 633 CZ PHE A 40 5.586 -9.159 0.340 1.00 0.00 C ATOM 0 H PHE A 40 2.473 -11.760 -4.935 1.00 0.00 H new ATOM 0 HA PHE A 40 2.530 -12.053 -2.120 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.226 -11.023 -3.799 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.223 -9.586 -3.750 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.004 -11.942 -1.461 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.654 -7.964 -2.141 1.00 0.00 H new ATOM 0 HE1 PHE A 40 6.190 -11.197 0.557 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.836 -7.217 -0.124 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.107 -8.829 1.226 1.00 0.00 H new ATOM 643 N SER A 41 0.506 -9.738 -3.293 1.00 0.00 N ATOM 644 CA SER A 41 -0.584 -8.845 -2.917 1.00 0.00 C ATOM 645 C SER A 41 -1.715 -9.618 -2.241 1.00 0.00 C ATOM 646 O SER A 41 -2.237 -9.194 -1.210 1.00 0.00 O ATOM 647 CB SER A 41 -1.109 -8.103 -4.151 1.00 0.00 C ATOM 648 OG SER A 41 -2.119 -7.166 -3.811 1.00 0.00 O ATOM 0 H SER A 41 0.726 -9.739 -4.289 1.00 0.00 H new ATOM 0 HA SER A 41 -0.198 -8.116 -2.204 1.00 0.00 H new ATOM 0 HB2 SER A 41 -0.285 -7.587 -4.643 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.507 -8.823 -4.866 1.00 0.00 H new ATOM 0 HG SER A 41 -1.814 -6.614 -3.060 1.00 0.00 H new ATOM 654 N LYS A 42 -2.064 -10.767 -2.805 1.00 0.00 N ATOM 655 CA LYS A 42 -3.177 -11.551 -2.294 1.00 0.00 C ATOM 656 C LYS A 42 -2.832 -12.188 -0.951 1.00 0.00 C ATOM 657 O LYS A 42 -3.508 -11.945 0.048 1.00 0.00 O ATOM 658 CB LYS A 42 -3.572 -12.639 -3.294 1.00 0.00 C ATOM 659 CG LYS A 42 -4.896 -13.315 -2.968 1.00 0.00 C ATOM 660 CD LYS A 42 -5.208 -14.440 -3.943 1.00 0.00 C ATOM 661 CE LYS A 42 -4.421 -15.704 -3.624 1.00 0.00 C ATOM 662 NZ LYS A 42 -4.880 -16.336 -2.358 1.00 0.00 N1+ ATOM 0 H LYS A 42 -1.594 -11.174 -3.613 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.019 -10.874 -2.150 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.633 -12.200 -4.290 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.786 -13.394 -3.326 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.862 -13.712 -1.953 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.698 -12.577 -2.995 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.275 -14.660 -3.914 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.977 -14.115 -4.958 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.526 -16.414 -4.444 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.361 -15.462 -3.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.498 -17.301 -2.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.544 -15.776 -1.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.919 -16.374 -2.346 1.00 0.00 H new ATOM 676 N LYS A 43 -1.757 -12.973 -0.923 1.00 0.00 N ATOM 677 CA LYS A 43 -1.433 -13.772 0.259 1.00 0.00 C ATOM 678 C LYS A 43 -1.106 -12.890 1.459 1.00 0.00 C ATOM 679 O LYS A 43 -1.426 -13.237 2.599 1.00 0.00 O ATOM 680 CB LYS A 43 -0.278 -14.739 -0.031 1.00 0.00 C ATOM 681 CG LYS A 43 1.054 -14.062 -0.330 1.00 0.00 C ATOM 682 CD LYS A 43 2.163 -15.076 -0.601 1.00 0.00 C ATOM 683 CE LYS A 43 2.095 -15.660 -2.012 1.00 0.00 C ATOM 684 NZ LYS A 43 0.869 -16.472 -2.250 1.00 0.00 N1+ ATOM 0 H LYS A 43 -1.100 -13.073 -1.697 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.318 -14.358 0.508 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.151 -15.400 0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.551 -15.366 -0.880 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.942 -13.408 -1.194 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.337 -13.431 0.513 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.131 -14.597 -0.457 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.096 -15.885 0.126 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.132 -14.847 -2.737 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.974 -16.281 -2.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.972 -17.003 -3.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.735 -17.137 -1.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.043 -15.843 -2.316 1.00 0.00 H new ATOM 698 N CYS A 44 -0.485 -11.744 1.208 1.00 0.00 N ATOM 699 CA CYS A 44 -0.166 -10.818 2.281 1.00 0.00 C ATOM 700 C CYS A 44 -1.421 -10.112 2.772 1.00 0.00 C ATOM 701 O CYS A 44 -1.553 -9.844 3.960 1.00 0.00 O ATOM 702 CB CYS A 44 0.883 -9.805 1.833 1.00 0.00 C ATOM 703 SG CYS A 44 2.501 -10.541 1.506 1.00 0.00 S ATOM 0 H CYS A 44 -0.196 -11.438 0.279 1.00 0.00 H new ATOM 0 HA CYS A 44 0.251 -11.391 3.109 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.531 -9.304 0.931 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.989 -9.040 2.602 1.00 0.00 H new ATOM 0 HG CYS A 44 3.279 -9.653 0.962 1.00 0.00 H new ATOM 709 N SER A 45 -2.347 -9.831 1.862 1.00 0.00 N ATOM 710 CA SER A 45 -3.615 -9.223 2.237 1.00 0.00 C ATOM 711 C SER A 45 -4.372 -10.145 3.183 1.00 0.00 C ATOM 712 O SER A 45 -4.802 -9.730 4.258 1.00 0.00 O ATOM 713 CB SER A 45 -4.458 -8.928 0.993 1.00 0.00 C ATOM 714 OG SER A 45 -5.694 -8.326 1.337 1.00 0.00 O ATOM 0 H SER A 45 -2.243 -10.014 0.864 1.00 0.00 H new ATOM 0 HA SER A 45 -3.415 -8.280 2.746 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.904 -8.269 0.324 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.642 -9.854 0.448 1.00 0.00 H new ATOM 0 HG SER A 45 -5.527 -7.494 1.828 1.00 0.00 H new ATOM 720 N GLU A 46 -4.500 -11.407 2.783 1.00 0.00 N ATOM 721 CA GLU A 46 -5.184 -12.413 3.588 1.00 0.00 C ATOM 722 C GLU A 46 -4.534 -12.529 4.965 1.00 0.00 C ATOM 723 O GLU A 46 -5.222 -12.605 5.990 1.00 0.00 O ATOM 724 CB GLU A 46 -5.143 -13.762 2.868 1.00 0.00 C ATOM 725 CG GLU A 46 -5.653 -13.701 1.436 1.00 0.00 C ATOM 726 CD GLU A 46 -5.486 -15.012 0.700 1.00 0.00 C ATOM 727 OE1 GLU A 46 -6.350 -15.903 0.857 1.00 0.00 O ATOM 728 OE2 GLU A 46 -4.496 -15.161 -0.049 1.00 0.00 O1- ATOM 0 H GLU A 46 -4.135 -11.759 1.898 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.222 -12.111 3.724 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.118 -14.132 2.865 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.740 -14.482 3.428 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.707 -13.424 1.442 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.120 -12.917 0.898 1.00 0.00 H new ATOM 735 N ARG A 47 -3.205 -12.522 4.983 1.00 0.00 N ATOM 736 CA ARG A 47 -2.458 -12.577 6.231 1.00 0.00 C ATOM 737 C ARG A 47 -2.730 -11.330 7.065 1.00 0.00 C ATOM 738 O ARG A 47 -3.100 -11.430 8.232 1.00 0.00 O ATOM 739 CB ARG A 47 -0.959 -12.707 5.955 1.00 0.00 C ATOM 740 CG ARG A 47 -0.114 -12.777 7.216 1.00 0.00 C ATOM 741 CD ARG A 47 1.368 -12.871 6.894 1.00 0.00 C ATOM 742 NE ARG A 47 2.189 -12.811 8.100 1.00 0.00 N ATOM 743 CZ ARG A 47 3.317 -12.112 8.198 1.00 0.00 C ATOM 744 NH1 ARG A 47 3.827 -11.506 7.135 1.00 0.00 N1+ ATOM 745 NH2 ARG A 47 3.956 -12.036 9.356 1.00 0.00 N ATOM 0 H ARG A 47 -2.624 -12.479 4.146 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.786 -13.454 6.789 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.784 -13.603 5.360 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.633 -11.857 5.355 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.298 -11.894 7.827 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.414 -13.642 7.807 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.567 -13.803 6.365 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.647 -12.058 6.224 1.00 0.00 H new ATOM 0 HE ARG A 47 1.879 -13.337 8.917 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.354 -11.574 6.234 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.692 -10.972 7.218 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.584 -12.514 10.176 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.820 -11.499 9.427 1.00 0.00 H new ATOM 759 N TRP A 48 -2.568 -10.161 6.443 1.00 0.00 N ATOM 760 CA TRP A 48 -2.786 -8.877 7.108 1.00 0.00 C ATOM 761 C TRP A 48 -4.152 -8.823 7.780 1.00 0.00 C ATOM 762 O TRP A 48 -4.250 -8.531 8.974 1.00 0.00 O ATOM 763 CB TRP A 48 -2.656 -7.719 6.105 1.00 0.00 C ATOM 764 CG TRP A 48 -3.263 -6.429 6.585 1.00 0.00 C ATOM 765 CD1 TRP A 48 -4.526 -5.980 6.329 1.00 0.00 C ATOM 766 CD2 TRP A 48 -2.643 -5.426 7.399 1.00 0.00 C ATOM 767 NE1 TRP A 48 -4.732 -4.769 6.942 1.00 0.00 N ATOM 768 CE2 TRP A 48 -3.590 -4.406 7.604 1.00 0.00 C ATOM 769 CE3 TRP A 48 -1.380 -5.292 7.977 1.00 0.00 C ATOM 770 CZ2 TRP A 48 -3.314 -3.270 8.363 1.00 0.00 C ATOM 771 CZ3 TRP A 48 -1.106 -4.167 8.730 1.00 0.00 C ATOM 772 CH2 TRP A 48 -2.069 -3.169 8.917 1.00 0.00 C ATOM 0 H TRP A 48 -2.283 -10.078 5.467 1.00 0.00 H new ATOM 0 HA TRP A 48 -2.020 -8.774 7.877 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -1.600 -7.555 5.889 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.132 -8.007 5.168 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.258 -6.502 5.731 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.596 -4.228 6.909 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.629 -6.056 7.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -4.056 -2.499 8.508 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.132 -4.056 9.182 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.823 -2.301 9.511 1.00 0.00 H new ATOM 783 N LYS A 49 -5.194 -9.116 7.011 1.00 0.00 N ATOM 784 CA LYS A 49 -6.565 -9.010 7.493 1.00 0.00 C ATOM 785 C LYS A 49 -6.784 -9.877 8.730 1.00 0.00 C ATOM 786 O LYS A 49 -7.555 -9.519 9.622 1.00 0.00 O ATOM 787 CB LYS A 49 -7.559 -9.407 6.394 1.00 0.00 C ATOM 788 CG LYS A 49 -7.443 -8.585 5.115 1.00 0.00 C ATOM 789 CD LYS A 49 -8.500 -9.002 4.103 1.00 0.00 C ATOM 790 CE LYS A 49 -8.479 -8.118 2.863 1.00 0.00 C ATOM 791 NZ LYS A 49 -9.500 -8.538 1.865 1.00 0.00 N1+ ATOM 0 H LYS A 49 -5.114 -9.431 6.044 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.738 -7.969 7.767 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.412 -10.459 6.150 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.572 -9.309 6.784 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.554 -7.526 5.347 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.450 -8.714 4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.335 -10.039 3.812 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.485 -8.954 4.566 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.658 -7.083 3.152 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -7.489 -8.155 2.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.453 -7.912 1.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -9.314 -9.518 1.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.447 -8.479 2.291 1.00 0.00 H new ATOM 805 N THR A 50 -6.079 -10.998 8.795 1.00 0.00 N ATOM 806 CA THR A 50 -6.265 -11.950 9.879 1.00 0.00 C ATOM 807 C THR A 50 -5.207 -11.810 10.980 1.00 0.00 C ATOM 808 O THR A 50 -5.208 -12.579 11.942 1.00 0.00 O ATOM 809 CB THR A 50 -6.256 -13.389 9.343 1.00 0.00 C ATOM 810 OG1 THR A 50 -5.091 -13.606 8.540 1.00 0.00 O ATOM 811 CG2 THR A 50 -7.497 -13.669 8.513 1.00 0.00 C ATOM 0 H THR A 50 -5.374 -11.270 8.110 1.00 0.00 H new ATOM 0 HA THR A 50 -7.235 -11.725 10.322 1.00 0.00 H new ATOM 0 HB THR A 50 -6.246 -14.066 10.197 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.247 -13.260 7.636 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.465 -14.695 8.146 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.386 -13.532 9.129 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.532 -12.982 7.668 1.00 0.00 H new ATOM 819 N MET A 51 -4.312 -10.828 10.858 1.00 0.00 N ATOM 820 CA MET A 51 -3.258 -10.649 11.857 1.00 0.00 C ATOM 821 C MET A 51 -3.819 -10.119 13.167 1.00 0.00 C ATOM 822 O MET A 51 -4.921 -9.572 13.216 1.00 0.00 O ATOM 823 CB MET A 51 -2.156 -9.709 11.369 1.00 0.00 C ATOM 824 CG MET A 51 -1.285 -10.299 10.279 1.00 0.00 C ATOM 825 SD MET A 51 0.284 -9.431 10.100 1.00 0.00 S ATOM 826 CE MET A 51 -0.284 -7.750 9.865 1.00 0.00 C ATOM 0 H MET A 51 -4.295 -10.155 10.091 1.00 0.00 H new ATOM 0 HA MET A 51 -2.826 -11.636 12.022 1.00 0.00 H new ATOM 0 HB2 MET A 51 -2.612 -8.791 10.999 1.00 0.00 H new ATOM 0 HB3 MET A 51 -1.526 -9.433 12.215 1.00 0.00 H new ATOM 0 HG2 MET A 51 -1.092 -11.348 10.501 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.824 -10.268 9.332 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.338 -7.257 9.117 1.00 0.00 H new ATOM 0 HE2 MET A 51 -1.320 -7.760 9.526 1.00 0.00 H new ATOM 0 HE3 MET A 51 -0.216 -7.208 10.808 1.00 0.00 H new ATOM 836 N SER A 52 -3.045 -10.286 14.228 1.00 0.00 N ATOM 837 CA SER A 52 -3.445 -9.844 15.549 1.00 0.00 C ATOM 838 C SER A 52 -3.235 -8.336 15.702 1.00 0.00 C ATOM 839 O SER A 52 -2.501 -7.723 14.923 1.00 0.00 O ATOM 840 CB SER A 52 -2.633 -10.608 16.594 1.00 0.00 C ATOM 841 OG SER A 52 -2.622 -11.998 16.300 1.00 0.00 O ATOM 0 H SER A 52 -2.127 -10.730 14.195 1.00 0.00 H new ATOM 0 HA SER A 52 -4.506 -10.047 15.692 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.612 -10.228 16.618 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.058 -10.444 17.584 1.00 0.00 H new ATOM 0 HG SER A 52 -2.096 -12.472 16.978 1.00 0.00 H new ATOM 847 N ALA A 53 -3.880 -7.749 16.704 1.00 0.00 N ATOM 848 CA ALA A 53 -3.760 -6.318 16.968 1.00 0.00 C ATOM 849 C ALA A 53 -2.312 -5.939 17.255 1.00 0.00 C ATOM 850 O ALA A 53 -1.855 -4.854 16.894 1.00 0.00 O ATOM 851 CB ALA A 53 -4.656 -5.918 18.131 1.00 0.00 C ATOM 0 H ALA A 53 -4.494 -8.244 17.350 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.082 -5.778 16.078 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.556 -4.849 18.316 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.693 -6.149 17.887 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.362 -6.470 19.024 1.00 0.00 H new ATOM 857 N LYS A 54 -1.596 -6.846 17.913 1.00 0.00 N ATOM 858 CA LYS A 54 -0.172 -6.675 18.176 1.00 0.00 C ATOM 859 C LYS A 54 0.589 -6.470 16.870 1.00 0.00 C ATOM 860 O LYS A 54 1.362 -5.526 16.732 1.00 0.00 O ATOM 861 CB LYS A 54 0.367 -7.906 18.918 1.00 0.00 C ATOM 862 CG LYS A 54 1.862 -7.863 19.208 1.00 0.00 C ATOM 863 CD LYS A 54 2.223 -6.798 20.233 1.00 0.00 C ATOM 864 CE LYS A 54 1.618 -7.089 21.602 1.00 0.00 C ATOM 865 NZ LYS A 54 2.000 -8.434 22.108 1.00 0.00 N1+ ATOM 0 H LYS A 54 -1.985 -7.716 18.277 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.030 -5.792 18.799 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.170 -8.011 19.860 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.150 -8.795 18.326 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.187 -8.838 19.571 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.404 -7.671 18.282 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.307 -6.735 20.323 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.875 -5.826 19.883 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.945 -6.329 22.311 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.532 -7.021 21.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.774 -8.501 23.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.473 -9.164 21.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.021 -8.580 21.971 1.00 0.00 H new ATOM 879 N GLU A 55 0.334 -7.347 15.907 1.00 0.00 N ATOM 880 CA GLU A 55 1.018 -7.300 14.621 1.00 0.00 C ATOM 881 C GLU A 55 0.624 -6.059 13.828 1.00 0.00 C ATOM 882 O GLU A 55 1.479 -5.338 13.322 1.00 0.00 O ATOM 883 CB GLU A 55 0.707 -8.561 13.813 1.00 0.00 C ATOM 884 CG GLU A 55 1.263 -9.828 14.437 1.00 0.00 C ATOM 885 CD GLU A 55 2.777 -9.843 14.461 1.00 0.00 C ATOM 886 OE1 GLU A 55 3.376 -9.154 15.310 1.00 0.00 O ATOM 887 OE2 GLU A 55 3.381 -10.545 13.627 1.00 0.00 O1- ATOM 0 H GLU A 55 -0.345 -8.103 15.993 1.00 0.00 H new ATOM 0 HA GLU A 55 2.090 -7.251 14.812 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.374 -8.660 13.709 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.115 -8.450 12.808 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.885 -9.925 15.455 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.903 -10.693 13.880 1.00 0.00 H new ATOM 894 N LYS A 56 -0.675 -5.810 13.736 1.00 0.00 N ATOM 895 CA LYS A 56 -1.181 -4.665 12.988 1.00 0.00 C ATOM 896 C LYS A 56 -0.671 -3.355 13.585 1.00 0.00 C ATOM 897 O LYS A 56 -0.283 -2.441 12.854 1.00 0.00 O ATOM 898 CB LYS A 56 -2.710 -4.685 12.954 1.00 0.00 C ATOM 899 CG LYS A 56 -3.281 -5.845 12.150 1.00 0.00 C ATOM 900 CD LYS A 56 -4.797 -5.826 12.138 1.00 0.00 C ATOM 901 CE LYS A 56 -5.356 -6.941 11.269 1.00 0.00 C ATOM 902 NZ LYS A 56 -6.840 -6.933 11.236 1.00 0.00 N1+ ATOM 0 H LYS A 56 -1.398 -6.384 14.169 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.811 -4.734 11.965 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.088 -4.739 13.975 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.069 -3.747 12.530 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.908 -5.797 11.127 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.932 -6.787 12.572 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.172 -5.932 13.156 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.148 -4.863 11.768 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.971 -6.837 10.255 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.007 -7.903 11.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.180 -7.768 10.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -7.209 -6.956 12.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.172 -6.070 10.760 1.00 0.00 H new ATOM 916 N GLY A 57 -0.655 -3.277 14.910 1.00 0.00 N ATOM 917 CA GLY A 57 -0.128 -2.100 15.577 1.00 0.00 C ATOM 918 C GLY A 57 1.369 -1.965 15.383 1.00 0.00 C ATOM 919 O GLY A 57 1.890 -0.859 15.258 1.00 0.00 O ATOM 0 H GLY A 57 -0.997 -4.007 15.535 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.626 -1.210 15.191 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.353 -2.155 16.642 1.00 0.00 H new ATOM 923 N LYS A 58 2.050 -3.101 15.343 1.00 0.00 N ATOM 924 CA LYS A 58 3.491 -3.140 15.118 1.00 0.00 C ATOM 925 C LYS A 58 3.850 -2.506 13.777 1.00 0.00 C ATOM 926 O LYS A 58 4.767 -1.689 13.685 1.00 0.00 O ATOM 927 CB LYS A 58 3.977 -4.591 15.154 1.00 0.00 C ATOM 928 CG LYS A 58 5.462 -4.762 14.883 1.00 0.00 C ATOM 929 CD LYS A 58 5.837 -6.231 14.799 1.00 0.00 C ATOM 930 CE LYS A 58 5.177 -6.910 13.608 1.00 0.00 C ATOM 931 NZ LYS A 58 5.449 -8.370 13.585 1.00 0.00 N1+ ATOM 0 H LYS A 58 1.623 -4.019 15.465 1.00 0.00 H new ATOM 0 HA LYS A 58 3.981 -2.570 15.908 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.747 -5.014 16.132 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.417 -5.167 14.418 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.724 -4.263 13.950 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.037 -4.281 15.675 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.920 -6.327 14.719 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.539 -6.736 15.718 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.101 -6.741 13.644 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.540 -6.458 12.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.026 -8.789 12.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.476 -8.532 13.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.036 -8.813 14.430 1.00 0.00 H new ATOM 945 N PHE A 59 3.119 -2.884 12.735 1.00 0.00 N ATOM 946 CA PHE A 59 3.347 -2.319 11.413 1.00 0.00 C ATOM 947 C PHE A 59 2.909 -0.861 11.370 1.00 0.00 C ATOM 948 O PHE A 59 3.466 -0.064 10.614 1.00 0.00 O ATOM 949 CB PHE A 59 2.635 -3.137 10.336 1.00 0.00 C ATOM 950 CG PHE A 59 3.263 -4.486 10.109 1.00 0.00 C ATOM 951 CD1 PHE A 59 4.413 -4.609 9.347 1.00 0.00 C ATOM 952 CD2 PHE A 59 2.710 -5.628 10.662 1.00 0.00 C ATOM 953 CE1 PHE A 59 4.998 -5.845 9.140 1.00 0.00 C ATOM 954 CE2 PHE A 59 3.290 -6.867 10.461 1.00 0.00 C ATOM 955 CZ PHE A 59 4.437 -6.974 9.698 1.00 0.00 C ATOM 0 H PHE A 59 2.369 -3.574 12.780 1.00 0.00 H new ATOM 0 HA PHE A 59 4.417 -2.359 11.207 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.591 -3.272 10.621 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.640 -2.578 9.400 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.859 -3.728 8.909 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.813 -5.550 11.259 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.894 -5.926 8.542 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.847 -7.749 10.899 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.893 -7.940 9.539 1.00 0.00 H new ATOM 965 N GLU A 60 1.927 -0.507 12.199 1.00 0.00 N ATOM 966 CA GLU A 60 1.505 0.883 12.330 1.00 0.00 C ATOM 967 C GLU A 60 2.643 1.715 12.903 1.00 0.00 C ATOM 968 O GLU A 60 2.857 2.852 12.498 1.00 0.00 O ATOM 969 CB GLU A 60 0.283 1.020 13.244 1.00 0.00 C ATOM 970 CG GLU A 60 -0.233 2.449 13.329 1.00 0.00 C ATOM 971 CD GLU A 60 -0.905 2.768 14.647 1.00 0.00 C ATOM 972 OE1 GLU A 60 -2.103 2.459 14.806 1.00 0.00 O ATOM 973 OE2 GLU A 60 -0.241 3.353 15.531 1.00 0.00 O1- ATOM 0 H GLU A 60 1.412 -1.162 12.787 1.00 0.00 H new ATOM 0 HA GLU A 60 1.235 1.240 11.336 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.513 0.372 12.878 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.542 0.672 14.244 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.599 3.137 13.178 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.941 2.621 12.518 1.00 0.00 H new ATOM 980 N ASP A 61 3.370 1.141 13.857 1.00 0.00 N ATOM 981 CA ASP A 61 4.488 1.826 14.483 1.00 0.00 C ATOM 982 C ASP A 61 5.538 2.191 13.450 1.00 0.00 C ATOM 983 O ASP A 61 5.943 3.345 13.352 1.00 0.00 O ATOM 984 CB ASP A 61 5.130 0.958 15.571 1.00 0.00 C ATOM 985 CG ASP A 61 4.250 0.749 16.785 1.00 0.00 C ATOM 986 OD1 ASP A 61 3.740 1.749 17.329 1.00 0.00 O ATOM 987 OD2 ASP A 61 4.093 -0.407 17.226 1.00 0.00 O1- ATOM 0 H ASP A 61 3.201 0.200 14.212 1.00 0.00 H new ATOM 0 HA ASP A 61 4.099 2.735 14.941 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.383 -0.013 15.146 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.065 1.421 15.887 1.00 0.00 H new ATOM 992 N MET A 62 5.963 1.210 12.671 1.00 0.00 N ATOM 993 CA MET A 62 6.978 1.440 11.649 1.00 0.00 C ATOM 994 C MET A 62 6.448 2.361 10.554 1.00 0.00 C ATOM 995 O MET A 62 7.205 3.125 9.955 1.00 0.00 O ATOM 996 CB MET A 62 7.450 0.114 11.052 1.00 0.00 C ATOM 997 CG MET A 62 8.174 -0.770 12.055 1.00 0.00 C ATOM 998 SD MET A 62 8.840 -2.274 11.317 1.00 0.00 S ATOM 999 CE MET A 62 7.340 -3.059 10.728 1.00 0.00 C ATOM 0 H MET A 62 5.624 0.249 12.724 1.00 0.00 H new ATOM 0 HA MET A 62 7.830 1.929 12.122 1.00 0.00 H new ATOM 0 HB2 MET A 62 6.590 -0.426 10.656 1.00 0.00 H new ATOM 0 HB3 MET A 62 8.113 0.317 10.211 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.987 -0.204 12.509 1.00 0.00 H new ATOM 0 HG3 MET A 62 7.486 -1.039 12.857 1.00 0.00 H new ATOM 0 HE1 MET A 62 7.549 -4.098 10.474 1.00 0.00 H new ATOM 0 HE2 MET A 62 6.579 -3.022 11.508 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.978 -2.535 9.843 1.00 0.00 H new ATOM 1009 N ALA A 63 5.145 2.296 10.308 1.00 0.00 N ATOM 1010 CA ALA A 63 4.510 3.159 9.323 1.00 0.00 C ATOM 1011 C ALA A 63 4.445 4.600 9.816 1.00 0.00 C ATOM 1012 O ALA A 63 4.727 5.530 9.064 1.00 0.00 O ATOM 1013 CB ALA A 63 3.115 2.652 8.989 1.00 0.00 C ATOM 0 H ALA A 63 4.508 1.653 10.778 1.00 0.00 H new ATOM 0 HA ALA A 63 5.117 3.137 8.418 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.656 3.310 8.251 1.00 0.00 H new ATOM 0 HB2 ALA A 63 3.182 1.643 8.583 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.506 2.640 9.893 1.00 0.00 H new ATOM 1019 N LYS A 64 4.078 4.785 11.081 1.00 0.00 N ATOM 1020 CA LYS A 64 3.962 6.123 11.645 1.00 0.00 C ATOM 1021 C LYS A 64 5.341 6.708 11.913 1.00 0.00 C ATOM 1022 O LYS A 64 5.528 7.927 11.923 1.00 0.00 O ATOM 1023 CB LYS A 64 3.110 6.117 12.918 1.00 0.00 C ATOM 1024 CG LYS A 64 3.748 5.499 14.142 1.00 0.00 C ATOM 1025 CD LYS A 64 2.944 5.856 15.385 1.00 0.00 C ATOM 1026 CE LYS A 64 3.057 4.798 16.464 1.00 0.00 C ATOM 1027 NZ LYS A 64 2.342 3.552 16.084 1.00 0.00 N1+ ATOM 0 H LYS A 64 3.857 4.030 11.730 1.00 0.00 H new ATOM 0 HA LYS A 64 3.457 6.756 10.916 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.839 7.146 13.155 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.183 5.584 12.708 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.797 4.416 14.029 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.773 5.855 14.247 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.291 6.812 15.778 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.896 5.985 15.113 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.108 4.574 16.646 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.647 5.184 17.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.771 2.742 16.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.341 3.630 16.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.412 3.411 15.056 1.00 0.00 H new ATOM 1041 N ALA A 65 6.301 5.826 12.122 1.00 0.00 N ATOM 1042 CA ALA A 65 7.696 6.221 12.253 1.00 0.00 C ATOM 1043 C ALA A 65 8.178 6.883 10.969 1.00 0.00 C ATOM 1044 O ALA A 65 8.749 7.977 10.993 1.00 0.00 O ATOM 1045 CB ALA A 65 8.559 5.014 12.580 1.00 0.00 C ATOM 0 H ALA A 65 6.140 4.822 12.206 1.00 0.00 H new ATOM 0 HA ALA A 65 7.780 6.938 13.069 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.599 5.325 12.675 1.00 0.00 H new ATOM 0 HB2 ALA A 65 8.226 4.572 13.519 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.472 4.277 11.781 1.00 0.00 H new ATOM 1051 N ASP A 66 7.921 6.221 9.846 1.00 0.00 N ATOM 1052 CA ASP A 66 8.310 6.738 8.538 1.00 0.00 C ATOM 1053 C ASP A 66 7.389 7.892 8.140 1.00 0.00 C ATOM 1054 O ASP A 66 7.772 8.775 7.376 1.00 0.00 O ATOM 1055 CB ASP A 66 8.251 5.625 7.488 1.00 0.00 C ATOM 1056 CG ASP A 66 9.412 5.672 6.511 1.00 0.00 C ATOM 1057 OD1 ASP A 66 9.339 6.417 5.515 1.00 0.00 O ATOM 1058 OD2 ASP A 66 10.408 4.948 6.732 1.00 0.00 O1- ATOM 0 H ASP A 66 7.443 5.321 9.815 1.00 0.00 H new ATOM 0 HA ASP A 66 9.334 7.107 8.594 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.245 4.658 7.991 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.315 5.703 6.936 1.00 0.00 H new ATOM 1063 N LYS A 67 6.174 7.873 8.680 1.00 0.00 N ATOM 1064 CA LYS A 67 5.195 8.935 8.473 1.00 0.00 C ATOM 1065 C LYS A 67 5.774 10.291 8.876 1.00 0.00 C ATOM 1066 O LYS A 67 5.689 11.256 8.119 1.00 0.00 O ATOM 1067 CB LYS A 67 3.927 8.601 9.278 1.00 0.00 C ATOM 1068 CG LYS A 67 2.818 9.650 9.256 1.00 0.00 C ATOM 1069 CD LYS A 67 3.021 10.711 10.330 1.00 0.00 C ATOM 1070 CE LYS A 67 1.714 11.393 10.700 1.00 0.00 C ATOM 1071 NZ LYS A 67 0.784 10.459 11.390 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.839 7.116 9.277 1.00 0.00 H new ATOM 0 HA LYS A 67 4.938 9.001 7.416 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.519 7.663 8.901 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.215 8.429 10.315 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.788 10.126 8.276 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.854 9.163 9.404 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.456 10.252 11.218 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.733 11.456 9.975 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.919 12.247 11.346 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.238 11.782 9.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.094 11.004 11.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.282 9.884 10.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.324 9.836 12.024 1.00 0.00 H new ATOM 1085 N ALA A 68 6.367 10.357 10.064 1.00 0.00 N ATOM 1086 CA ALA A 68 6.991 11.588 10.538 1.00 0.00 C ATOM 1087 C ALA A 68 8.264 11.876 9.755 1.00 0.00 C ATOM 1088 O ALA A 68 8.598 13.032 9.495 1.00 0.00 O ATOM 1089 CB ALA A 68 7.293 11.494 12.026 1.00 0.00 C ATOM 0 H ALA A 68 6.429 9.574 10.715 1.00 0.00 H new ATOM 0 HA ALA A 68 6.294 12.410 10.379 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.758 12.421 12.362 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.366 11.333 12.576 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.972 10.661 12.208 1.00 0.00 H new ATOM 1095 N ARG A 69 8.960 10.811 9.370 1.00 0.00 N ATOM 1096 CA ARG A 69 10.156 10.927 8.551 1.00 0.00 C ATOM 1097 C ARG A 69 9.807 11.612 7.236 1.00 0.00 C ATOM 1098 O ARG A 69 10.537 12.475 6.753 1.00 0.00 O ATOM 1099 CB ARG A 69 10.750 9.539 8.291 1.00 0.00 C ATOM 1100 CG ARG A 69 11.880 9.528 7.276 1.00 0.00 C ATOM 1101 CD ARG A 69 12.296 8.109 6.934 1.00 0.00 C ATOM 1102 NE ARG A 69 13.238 8.075 5.819 1.00 0.00 N ATOM 1103 CZ ARG A 69 12.994 7.455 4.667 1.00 0.00 C ATOM 1104 NH1 ARG A 69 11.848 6.808 4.489 1.00 0.00 N1+ ATOM 1105 NH2 ARG A 69 13.892 7.484 3.691 1.00 0.00 N ATOM 0 H ARG A 69 8.712 9.853 9.615 1.00 0.00 H new ATOM 0 HA ARG A 69 10.899 11.527 9.077 1.00 0.00 H new ATOM 0 HB2 ARG A 69 11.118 9.131 9.232 1.00 0.00 H new ATOM 0 HB3 ARG A 69 9.958 8.876 7.944 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.564 10.046 6.370 1.00 0.00 H new ATOM 0 HG3 ARG A 69 12.735 10.075 7.674 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.750 7.643 7.808 1.00 0.00 H new ATOM 0 HD3 ARG A 69 11.413 7.522 6.682 1.00 0.00 H new ATOM 0 HE ARG A 69 14.132 8.553 5.929 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.154 6.786 5.236 1.00 0.00 H new ATOM 0 HH12 ARG A 69 11.662 6.333 3.606 1.00 0.00 H new ATOM 0 HH21 ARG A 69 14.772 7.982 3.822 1.00 0.00 H new ATOM 0 HH22 ARG A 69 13.702 7.008 2.809 1.00 0.00 H new ATOM 1119 N TYR A 70 8.669 11.224 6.678 1.00 0.00 N ATOM 1120 CA TYR A 70 8.140 11.831 5.478 1.00 0.00 C ATOM 1121 C TYR A 70 7.968 13.333 5.669 1.00 0.00 C ATOM 1122 O TYR A 70 8.405 14.126 4.841 1.00 0.00 O ATOM 1123 CB TYR A 70 6.796 11.187 5.147 1.00 0.00 C ATOM 1124 CG TYR A 70 6.139 11.710 3.894 1.00 0.00 C ATOM 1125 CD1 TYR A 70 6.452 11.174 2.657 1.00 0.00 C ATOM 1126 CD2 TYR A 70 5.194 12.725 3.951 1.00 0.00 C ATOM 1127 CE1 TYR A 70 5.848 11.634 1.507 1.00 0.00 C ATOM 1128 CE2 TYR A 70 4.583 13.190 2.806 1.00 0.00 C ATOM 1129 CZ TYR A 70 4.912 12.642 1.584 1.00 0.00 C ATOM 1130 OH TYR A 70 4.303 13.105 0.439 1.00 0.00 O ATOM 0 H TYR A 70 8.088 10.474 7.052 1.00 0.00 H new ATOM 0 HA TYR A 70 8.838 11.671 4.656 1.00 0.00 H new ATOM 0 HB2 TYR A 70 6.939 10.111 5.044 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.119 11.339 5.987 1.00 0.00 H new ATOM 0 HD1 TYR A 70 7.183 10.381 2.592 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.934 13.157 4.906 1.00 0.00 H new ATOM 0 HE1 TYR A 70 6.107 11.206 0.550 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.849 13.980 2.866 1.00 0.00 H new ATOM 0 HH TYR A 70 4.737 13.935 0.150 1.00 0.00 H new ATOM 1140 N GLU A 71 7.342 13.708 6.776 1.00 0.00 N ATOM 1141 CA GLU A 71 7.062 15.098 7.080 1.00 0.00 C ATOM 1142 C GLU A 71 8.353 15.911 7.152 1.00 0.00 C ATOM 1143 O GLU A 71 8.438 17.027 6.627 1.00 0.00 O ATOM 1144 CB GLU A 71 6.302 15.172 8.405 1.00 0.00 C ATOM 1145 CG GLU A 71 5.090 14.261 8.435 1.00 0.00 C ATOM 1146 CD GLU A 71 4.166 14.514 9.608 1.00 0.00 C ATOM 1147 OE1 GLU A 71 4.504 14.113 10.738 1.00 0.00 O1- ATOM 1148 OE2 GLU A 71 3.083 15.105 9.392 1.00 0.00 O ATOM 0 H GLU A 71 7.015 13.054 7.487 1.00 0.00 H new ATOM 0 HA GLU A 71 6.451 15.525 6.285 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.974 14.903 9.220 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.984 16.200 8.580 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.529 14.387 7.509 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.426 13.225 8.466 1.00 0.00 H new ATOM 1155 N ARG A 72 9.365 15.333 7.778 1.00 0.00 N ATOM 1156 CA ARG A 72 10.647 15.997 7.933 1.00 0.00 C ATOM 1157 C ARG A 72 11.396 16.062 6.604 1.00 0.00 C ATOM 1158 O ARG A 72 11.984 17.091 6.268 1.00 0.00 O ATOM 1159 CB ARG A 72 11.492 15.274 8.983 1.00 0.00 C ATOM 1160 CG ARG A 72 10.801 15.110 10.331 1.00 0.00 C ATOM 1161 CD ARG A 72 10.672 16.427 11.090 1.00 0.00 C ATOM 1162 NE ARG A 72 9.833 17.413 10.402 1.00 0.00 N ATOM 1163 CZ ARG A 72 8.828 18.071 10.985 1.00 0.00 C ATOM 1164 NH1 ARG A 72 8.433 17.741 12.206 1.00 0.00 N1+ ATOM 1165 NH2 ARG A 72 8.180 19.018 10.326 1.00 0.00 N ATOM 0 H ARG A 72 9.322 14.400 8.189 1.00 0.00 H new ATOM 0 HA ARG A 72 10.463 17.018 8.267 1.00 0.00 H new ATOM 0 HB2 ARG A 72 11.761 14.289 8.602 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.422 15.824 9.128 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.809 14.685 10.177 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.361 14.399 10.938 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.254 16.230 12.077 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.665 16.849 11.243 1.00 0.00 H new ATOM 0 HE ARG A 72 10.029 17.608 9.420 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.897 16.982 12.704 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.665 18.246 12.648 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.448 19.248 9.369 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.413 19.518 10.775 1.00 0.00 H new ATOM 1179 N GLU A 73 11.357 14.972 5.844 1.00 0.00 N ATOM 1180 CA GLU A 73 12.063 14.902 4.568 1.00 0.00 C ATOM 1181 C GLU A 73 11.386 15.795 3.526 1.00 0.00 C ATOM 1182 O GLU A 73 12.046 16.339 2.639 1.00 0.00 O ATOM 1183 CB GLU A 73 12.144 13.447 4.087 1.00 0.00 C ATOM 1184 CG GLU A 73 13.093 13.234 2.915 1.00 0.00 C ATOM 1185 CD GLU A 73 13.729 11.856 2.921 1.00 0.00 C ATOM 1186 OE1 GLU A 73 14.785 11.694 3.578 1.00 0.00 O1- ATOM 1187 OE2 GLU A 73 13.188 10.934 2.275 1.00 0.00 O ATOM 0 H GLU A 73 10.844 14.125 6.089 1.00 0.00 H new ATOM 0 HA GLU A 73 13.079 15.270 4.708 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.462 12.818 4.918 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.147 13.114 3.799 1.00 0.00 H new ATOM 0 HG2 GLU A 73 12.548 13.375 1.981 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.876 13.992 2.944 1.00 0.00 H new ATOM 1194 N MET A 74 10.072 15.965 3.648 1.00 0.00 N ATOM 1195 CA MET A 74 9.335 16.882 2.778 1.00 0.00 C ATOM 1196 C MET A 74 9.792 18.316 3.006 1.00 0.00 C ATOM 1197 O MET A 74 9.809 19.127 2.083 1.00 0.00 O ATOM 1198 CB MET A 74 7.827 16.783 3.027 1.00 0.00 C ATOM 1199 CG MET A 74 7.174 15.513 2.495 1.00 0.00 C ATOM 1200 SD MET A 74 6.661 15.623 0.762 1.00 0.00 S ATOM 1201 CE MET A 74 8.232 15.616 -0.097 1.00 0.00 C ATOM 0 H MET A 74 9.496 15.482 4.338 1.00 0.00 H new ATOM 0 HA MET A 74 9.541 16.597 1.746 1.00 0.00 H new ATOM 0 HB2 MET A 74 7.645 16.846 4.100 1.00 0.00 H new ATOM 0 HB3 MET A 74 7.340 17.644 2.570 1.00 0.00 H new ATOM 0 HG2 MET A 74 7.872 14.683 2.605 1.00 0.00 H new ATOM 0 HG3 MET A 74 6.303 15.280 3.108 1.00 0.00 H new ATOM 0 HE1 MET A 74 8.133 15.064 -1.032 1.00 0.00 H new ATOM 0 HE2 MET A 74 8.534 16.641 -0.311 1.00 0.00 H new ATOM 0 HE3 MET A 74 8.986 15.138 0.528 1.00 0.00 H new ATOM 1211 N LYS A 75 10.172 18.622 4.241 1.00 0.00 N ATOM 1212 CA LYS A 75 10.637 19.952 4.584 1.00 0.00 C ATOM 1213 C LYS A 75 11.980 20.243 3.913 1.00 0.00 C ATOM 1214 O LYS A 75 12.307 21.395 3.626 1.00 0.00 O ATOM 1215 CB LYS A 75 10.758 20.089 6.102 1.00 0.00 C ATOM 1216 CG LYS A 75 10.848 21.530 6.562 1.00 0.00 C ATOM 1217 CD LYS A 75 9.660 22.330 6.059 1.00 0.00 C ATOM 1218 CE LYS A 75 9.736 23.787 6.485 1.00 0.00 C ATOM 1219 NZ LYS A 75 9.592 23.947 7.957 1.00 0.00 N1+ ATOM 0 H LYS A 75 10.166 17.963 5.020 1.00 0.00 H new ATOM 0 HA LYS A 75 9.910 20.679 4.222 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.897 19.616 6.574 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.643 19.550 6.440 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.883 21.568 7.651 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.773 21.976 6.198 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.617 22.272 4.971 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.738 21.889 6.438 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.689 24.208 6.166 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.953 24.353 5.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 9.514 24.957 8.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.737 23.450 8.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.425 23.545 8.433 1.00 0.00 H new ATOM 1233 N THR A 76 12.745 19.189 3.649 1.00 0.00 N ATOM 1234 CA THR A 76 14.032 19.326 2.975 1.00 0.00 C ATOM 1235 C THR A 76 13.874 19.129 1.471 1.00 0.00 C ATOM 1236 O THR A 76 14.855 19.083 0.725 1.00 0.00 O ATOM 1237 CB THR A 76 15.055 18.311 3.517 1.00 0.00 C ATOM 1238 OG1 THR A 76 14.539 16.974 3.422 1.00 0.00 O ATOM 1239 CG2 THR A 76 15.393 18.616 4.963 1.00 0.00 C ATOM 0 H THR A 76 12.496 18.230 3.891 1.00 0.00 H new ATOM 0 HA THR A 76 14.399 20.333 3.172 1.00 0.00 H new ATOM 0 HB THR A 76 15.959 18.391 2.913 1.00 0.00 H new ATOM 0 HG1 THR A 76 13.663 16.992 2.983 1.00 0.00 H new ATOM 0 HG21 THR A 76 16.117 17.888 5.329 1.00 0.00 H new ATOM 0 HG22 THR A 76 15.817 19.617 5.034 1.00 0.00 H new ATOM 0 HG23 THR A 76 14.488 18.562 5.567 1.00 0.00 H new ATOM 1247 N TYR A 77 12.627 19.012 1.041 1.00 0.00 N ATOM 1248 CA TYR A 77 12.306 18.782 -0.353 1.00 0.00 C ATOM 1249 C TYR A 77 11.877 20.086 -1.008 1.00 0.00 C ATOM 1250 O TYR A 77 10.894 20.707 -0.601 1.00 0.00 O ATOM 1251 CB TYR A 77 11.195 17.730 -0.463 1.00 0.00 C ATOM 1252 CG TYR A 77 10.842 17.337 -1.884 1.00 0.00 C ATOM 1253 CD1 TYR A 77 10.028 18.147 -2.669 1.00 0.00 C ATOM 1254 CD2 TYR A 77 11.315 16.153 -2.435 1.00 0.00 C ATOM 1255 CE1 TYR A 77 9.701 17.793 -3.962 1.00 0.00 C ATOM 1256 CE2 TYR A 77 10.992 15.792 -3.727 1.00 0.00 C ATOM 1257 CZ TYR A 77 10.185 16.615 -4.487 1.00 0.00 C ATOM 1258 OH TYR A 77 9.865 16.262 -5.777 1.00 0.00 O ATOM 0 H TYR A 77 11.812 19.074 1.651 1.00 0.00 H new ATOM 0 HA TYR A 77 13.190 18.410 -0.871 1.00 0.00 H new ATOM 0 HB2 TYR A 77 11.502 16.837 0.082 1.00 0.00 H new ATOM 0 HB3 TYR A 77 10.300 18.112 0.028 1.00 0.00 H new ATOM 0 HD1 TYR A 77 9.645 19.070 -2.259 1.00 0.00 H new ATOM 0 HD2 TYR A 77 11.945 15.505 -1.843 1.00 0.00 H new ATOM 0 HE1 TYR A 77 9.070 18.435 -4.558 1.00 0.00 H new ATOM 0 HE2 TYR A 77 11.369 14.869 -4.142 1.00 0.00 H new ATOM 0 HH TYR A 77 9.845 15.285 -5.853 1.00 0.00 H new ATOM 1268 N ILE A 78 12.630 20.509 -2.008 1.00 0.00 N ATOM 1269 CA ILE A 78 12.298 21.711 -2.749 1.00 0.00 C ATOM 1270 C ILE A 78 11.597 21.328 -4.050 1.00 0.00 C ATOM 1271 O ILE A 78 12.192 20.691 -4.919 1.00 0.00 O ATOM 1272 CB ILE A 78 13.548 22.581 -3.055 1.00 0.00 C ATOM 1273 CG1 ILE A 78 14.215 23.075 -1.760 1.00 0.00 C ATOM 1274 CG2 ILE A 78 13.168 23.771 -3.925 1.00 0.00 C ATOM 1275 CD1 ILE A 78 15.047 22.031 -1.042 1.00 0.00 C ATOM 0 H ILE A 78 13.476 20.037 -2.325 1.00 0.00 H new ATOM 0 HA ILE A 78 11.634 22.311 -2.127 1.00 0.00 H new ATOM 0 HB ILE A 78 14.262 21.957 -3.593 1.00 0.00 H new ATOM 0 HG12 ILE A 78 14.851 23.928 -1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 78 13.441 23.433 -1.082 1.00 0.00 H new ATOM 0 HG21 ILE A 78 14.055 24.370 -4.130 1.00 0.00 H new ATOM 0 HG22 ILE A 78 12.746 23.415 -4.865 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.430 24.382 -3.404 1.00 0.00 H new ATOM 0 HD11 ILE A 78 15.479 22.467 -0.141 1.00 0.00 H new ATOM 0 HD12 ILE A 78 14.415 21.186 -0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 78 15.847 21.688 -1.699 1.00 0.00 H new ATOM 1287 N PRO A 79 10.311 21.687 -4.173 1.00 0.00 N ATOM 1288 CA PRO A 79 9.489 21.349 -5.344 1.00 0.00 C ATOM 1289 C PRO A 79 10.078 21.867 -6.655 1.00 0.00 C ATOM 1290 O PRO A 79 10.709 22.927 -6.689 1.00 0.00 O ATOM 1291 CB PRO A 79 8.153 22.043 -5.058 1.00 0.00 C ATOM 1292 CG PRO A 79 8.128 22.233 -3.582 1.00 0.00 C ATOM 1293 CD PRO A 79 9.555 22.452 -3.172 1.00 0.00 C ATOM 0 HA PRO A 79 9.412 20.270 -5.476 1.00 0.00 H new ATOM 0 HB2 PRO A 79 8.084 22.997 -5.580 1.00 0.00 H new ATOM 0 HB3 PRO A 79 7.312 21.435 -5.392 1.00 0.00 H new ATOM 0 HG2 PRO A 79 7.507 23.086 -3.308 1.00 0.00 H new ATOM 0 HG3 PRO A 79 7.708 21.360 -3.083 1.00 0.00 H new ATOM 0 HD2 PRO A 79 9.821 23.509 -3.187 1.00 0.00 H new ATOM 0 HD3 PRO A 79 9.744 22.090 -2.161 1.00 0.00 H new ATOM 1301 N PRO A 80 9.894 21.109 -7.749 1.00 0.00 N ATOM 1302 CA PRO A 80 10.331 21.519 -9.088 1.00 0.00 C ATOM 1303 C PRO A 80 9.684 22.832 -9.518 1.00 0.00 C ATOM 1304 O PRO A 80 8.524 23.104 -9.191 1.00 0.00 O ATOM 1305 CB PRO A 80 9.866 20.370 -9.992 1.00 0.00 C ATOM 1306 CG PRO A 80 9.706 19.207 -9.075 1.00 0.00 C ATOM 1307 CD PRO A 80 9.258 19.782 -7.764 1.00 0.00 C ATOM 0 HA PRO A 80 11.406 21.695 -9.132 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.928 20.613 -10.490 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.597 20.160 -10.773 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.973 18.500 -9.463 1.00 0.00 H new ATOM 0 HG3 PRO A 80 10.645 18.664 -8.964 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.172 19.854 -7.705 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.583 19.169 -6.923 1.00 0.00 H new ATOM 1315 N LYS A 81 10.435 23.639 -10.249 1.00 0.00 N ATOM 1316 CA LYS A 81 9.971 24.955 -10.665 1.00 0.00 C ATOM 1317 C LYS A 81 8.894 24.833 -11.736 1.00 0.00 C ATOM 1318 O LYS A 81 8.977 23.982 -12.621 1.00 0.00 O ATOM 1319 CB LYS A 81 11.146 25.782 -11.190 1.00 0.00 C ATOM 1320 CG LYS A 81 12.320 25.855 -10.224 1.00 0.00 C ATOM 1321 CD LYS A 81 11.942 26.551 -8.927 1.00 0.00 C ATOM 1322 CE LYS A 81 11.721 28.039 -9.132 1.00 0.00 C ATOM 1323 NZ LYS A 81 12.954 28.723 -9.603 1.00 0.00 N1+ ATOM 0 H LYS A 81 11.375 23.405 -10.569 1.00 0.00 H new ATOM 0 HA LYS A 81 9.539 25.459 -9.800 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.488 25.354 -12.133 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.800 26.793 -11.405 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.674 24.848 -10.006 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.146 26.388 -10.695 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.035 26.101 -8.523 1.00 0.00 H new ATOM 0 HD3 LYS A 81 12.730 26.398 -8.189 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.922 28.191 -9.858 1.00 0.00 H new ATOM 0 HE3 LYS A 81 11.391 28.489 -8.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 12.873 29.745 -9.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.777 28.348 -9.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.076 28.556 -10.622 1.00 0.00 H new ATOM 1337 N GLY A 82 7.884 25.683 -11.640 1.00 0.00 N ATOM 1338 CA GLY A 82 6.806 25.679 -12.607 1.00 0.00 C ATOM 1339 C GLY A 82 6.822 26.932 -13.451 1.00 0.00 C ATOM 1340 O GLY A 82 7.472 26.978 -14.494 1.00 0.00 O ATOM 0 H GLY A 82 7.791 26.382 -10.903 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.895 24.803 -13.250 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.850 25.599 -12.089 1.00 0.00 H new ATOM 1344 N GLU A 83 6.122 27.957 -12.993 1.00 0.00 N ATOM 1345 CA GLU A 83 6.137 29.252 -13.660 1.00 0.00 C ATOM 1346 C GLU A 83 7.227 30.140 -13.064 1.00 0.00 C ATOM 1347 O GLU A 83 8.077 29.668 -12.300 1.00 0.00 O ATOM 1348 CB GLU A 83 4.778 29.951 -13.549 1.00 0.00 C ATOM 1349 CG GLU A 83 3.696 29.390 -14.465 1.00 0.00 C ATOM 1350 CD GLU A 83 3.252 27.992 -14.092 1.00 0.00 C ATOM 1351 OE1 GLU A 83 2.515 27.843 -13.092 1.00 0.00 O ATOM 1352 OE2 GLU A 83 3.612 27.038 -14.809 1.00 0.00 O1- ATOM 0 H GLU A 83 5.534 27.919 -12.160 1.00 0.00 H new ATOM 0 HA GLU A 83 6.347 29.081 -14.716 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.433 29.883 -12.517 1.00 0.00 H new ATOM 0 HB3 GLU A 83 4.910 31.010 -13.771 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.832 30.055 -14.443 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.067 29.383 -15.490 1.00 0.00 H new TER 1359 GLU A 83 ATOM 1360 N LEU B 14 -21.899 -31.615 -22.876 1.00 0.00 N ATOM 1361 CA LEU B 14 -23.259 -31.462 -23.372 1.00 0.00 C ATOM 1362 C LEU B 14 -23.275 -31.321 -24.892 1.00 0.00 C ATOM 1363 O LEU B 14 -22.231 -31.121 -25.514 1.00 0.00 O ATOM 1364 CB LEU B 14 -23.945 -30.261 -22.698 1.00 0.00 C ATOM 1365 CG LEU B 14 -23.070 -29.016 -22.459 1.00 0.00 C ATOM 1366 CD1 LEU B 14 -22.636 -28.378 -23.769 1.00 0.00 C ATOM 1367 CD2 LEU B 14 -23.817 -28.008 -21.600 1.00 0.00 C ATOM 0 HA LEU B 14 -23.819 -32.362 -23.118 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -24.797 -29.967 -23.311 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -24.341 -30.589 -21.737 1.00 0.00 H new ATOM 0 HG LEU B 14 -22.170 -29.335 -21.933 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -22.021 -27.503 -23.561 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -22.059 -29.097 -24.351 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -23.517 -28.076 -24.336 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -23.189 -27.132 -21.438 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -24.734 -27.708 -22.106 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -24.064 -28.461 -20.640 1.00 0.00 H new ATOM 1379 N SER B 15 -24.457 -31.427 -25.484 1.00 0.00 N ATOM 1380 CA SER B 15 -24.602 -31.307 -26.930 1.00 0.00 C ATOM 1381 C SER B 15 -24.838 -29.854 -27.335 1.00 0.00 C ATOM 1382 O SER B 15 -24.879 -29.521 -28.521 1.00 0.00 O ATOM 1383 CB SER B 15 -25.758 -32.187 -27.413 1.00 0.00 C ATOM 1384 OG SER B 15 -26.972 -31.851 -26.755 1.00 0.00 O ATOM 0 H SER B 15 -25.331 -31.596 -24.985 1.00 0.00 H new ATOM 0 HA SER B 15 -23.677 -31.643 -27.399 1.00 0.00 H new ATOM 0 HB2 SER B 15 -25.881 -32.071 -28.490 1.00 0.00 H new ATOM 0 HB3 SER B 15 -25.521 -33.235 -27.231 1.00 0.00 H new ATOM 0 HG SER B 15 -27.693 -32.427 -27.084 1.00 0.00 H new ATOM 1390 N GLN B 16 -24.978 -28.989 -26.338 1.00 0.00 N ATOM 1391 CA GLN B 16 -25.271 -27.579 -26.570 1.00 0.00 C ATOM 1392 C GLN B 16 -23.994 -26.769 -26.786 1.00 0.00 C ATOM 1393 O GLN B 16 -23.802 -25.730 -26.156 1.00 0.00 O ATOM 1394 CB GLN B 16 -26.037 -26.999 -25.382 1.00 0.00 C ATOM 1395 CG GLN B 16 -27.381 -27.656 -25.121 1.00 0.00 C ATOM 1396 CD GLN B 16 -28.100 -27.041 -23.937 1.00 0.00 C ATOM 1397 OE1 GLN B 16 -29.329 -27.011 -23.885 1.00 0.00 O ATOM 1398 NE2 GLN B 16 -27.336 -26.540 -22.978 1.00 0.00 N ATOM 0 H GLN B 16 -24.893 -29.242 -25.353 1.00 0.00 H new ATOM 0 HA GLN B 16 -25.879 -27.515 -27.473 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -25.421 -27.092 -24.488 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -26.194 -25.934 -25.551 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -28.006 -27.566 -26.010 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -27.234 -28.721 -24.941 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -26.320 -26.585 -23.059 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -27.763 -26.109 -22.158 1.00 0.00 H new ATOM 1407 N GLU B 17 -23.141 -27.231 -27.693 1.00 0.00 N ATOM 1408 CA GLU B 17 -21.859 -26.577 -27.952 1.00 0.00 C ATOM 1409 C GLU B 17 -22.047 -25.108 -28.334 1.00 0.00 C ATOM 1410 O GLU B 17 -21.354 -24.231 -27.823 1.00 0.00 O ATOM 1411 CB GLU B 17 -21.089 -27.317 -29.053 1.00 0.00 C ATOM 1412 CG GLU B 17 -21.854 -27.452 -30.360 1.00 0.00 C ATOM 1413 CD GLU B 17 -21.048 -28.145 -31.435 1.00 0.00 C ATOM 1414 OE1 GLU B 17 -21.086 -29.390 -31.500 1.00 0.00 O1- ATOM 1415 OE2 GLU B 17 -20.362 -27.449 -32.213 1.00 0.00 O ATOM 0 H GLU B 17 -23.313 -28.058 -28.264 1.00 0.00 H new ATOM 0 HA GLU B 17 -21.279 -26.613 -27.030 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -20.154 -26.791 -29.244 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -20.827 -28.312 -28.693 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -22.773 -28.011 -30.183 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -22.145 -26.462 -30.711 1.00 0.00 H new ATOM 1422 N THR B 18 -23.002 -24.849 -29.219 1.00 0.00 N ATOM 1423 CA THR B 18 -23.289 -23.497 -29.669 1.00 0.00 C ATOM 1424 C THR B 18 -23.844 -22.648 -28.526 1.00 0.00 C ATOM 1425 O THR B 18 -23.526 -21.469 -28.399 1.00 0.00 O ATOM 1426 CB THR B 18 -24.305 -23.524 -30.826 1.00 0.00 C ATOM 1427 OG1 THR B 18 -23.879 -24.468 -31.818 1.00 0.00 O ATOM 1428 CG2 THR B 18 -24.456 -22.152 -31.463 1.00 0.00 C ATOM 0 H THR B 18 -23.594 -25.565 -29.641 1.00 0.00 H new ATOM 0 HA THR B 18 -22.355 -23.054 -30.015 1.00 0.00 H new ATOM 0 HB THR B 18 -25.273 -23.819 -30.420 1.00 0.00 H new ATOM 0 HG1 THR B 18 -24.527 -24.485 -32.553 1.00 0.00 H new ATOM 0 HG21 THR B 18 -25.180 -22.206 -32.276 1.00 0.00 H new ATOM 0 HG22 THR B 18 -24.803 -21.440 -30.715 1.00 0.00 H new ATOM 0 HG23 THR B 18 -23.493 -21.825 -31.856 1.00 0.00 H new ATOM 1436 N PHE B 19 -24.643 -23.273 -27.673 1.00 0.00 N ATOM 1437 CA PHE B 19 -25.329 -22.561 -26.603 1.00 0.00 C ATOM 1438 C PHE B 19 -24.370 -22.203 -25.473 1.00 0.00 C ATOM 1439 O PHE B 19 -24.475 -21.132 -24.874 1.00 0.00 O ATOM 1440 CB PHE B 19 -26.497 -23.398 -26.079 1.00 0.00 C ATOM 1441 CG PHE B 19 -27.499 -23.728 -27.148 1.00 0.00 C ATOM 1442 CD1 PHE B 19 -28.527 -22.848 -27.444 1.00 0.00 C ATOM 1443 CD2 PHE B 19 -27.402 -24.908 -27.866 1.00 0.00 C ATOM 1444 CE1 PHE B 19 -29.441 -23.142 -28.435 1.00 0.00 C ATOM 1445 CE2 PHE B 19 -28.312 -25.207 -28.859 1.00 0.00 C ATOM 1446 CZ PHE B 19 -29.333 -24.322 -29.144 1.00 0.00 C ATOM 0 H PHE B 19 -24.833 -24.275 -27.701 1.00 0.00 H new ATOM 0 HA PHE B 19 -25.720 -21.628 -27.010 1.00 0.00 H new ATOM 0 HB2 PHE B 19 -26.112 -24.323 -25.650 1.00 0.00 H new ATOM 0 HB3 PHE B 19 -26.995 -22.856 -25.275 1.00 0.00 H new ATOM 0 HD1 PHE B 19 -28.614 -21.923 -26.894 1.00 0.00 H new ATOM 0 HD2 PHE B 19 -26.605 -25.602 -27.646 1.00 0.00 H new ATOM 0 HE1 PHE B 19 -30.240 -22.450 -28.656 1.00 0.00 H new ATOM 0 HE2 PHE B 19 -28.226 -26.131 -29.412 1.00 0.00 H new ATOM 0 HZ PHE B 19 -30.047 -24.553 -29.921 1.00 0.00 H new ATOM 1456 N SER B 20 -23.425 -23.088 -25.196 1.00 0.00 N ATOM 1457 CA SER B 20 -22.407 -22.823 -24.187 1.00 0.00 C ATOM 1458 C SER B 20 -21.353 -21.859 -24.734 1.00 0.00 C ATOM 1459 O SER B 20 -20.483 -21.383 -24.006 1.00 0.00 O ATOM 1460 CB SER B 20 -21.760 -24.136 -23.744 1.00 0.00 C ATOM 1461 OG SER B 20 -22.734 -25.035 -23.233 1.00 0.00 O ATOM 0 H SER B 20 -23.340 -23.995 -25.654 1.00 0.00 H new ATOM 0 HA SER B 20 -22.878 -22.356 -23.322 1.00 0.00 H new ATOM 0 HB2 SER B 20 -21.244 -24.594 -24.588 1.00 0.00 H new ATOM 0 HB3 SER B 20 -21.008 -23.936 -22.981 1.00 0.00 H new ATOM 0 HG SER B 20 -23.245 -25.420 -23.975 1.00 0.00 H new ATOM 1467 N ASP B 21 -21.449 -21.573 -26.026 1.00 0.00 N ATOM 1468 CA ASP B 21 -20.537 -20.647 -26.685 1.00 0.00 C ATOM 1469 C ASP B 21 -21.186 -19.272 -26.817 1.00 0.00 C ATOM 1470 O ASP B 21 -20.520 -18.280 -27.106 1.00 0.00 O ATOM 1471 CB ASP B 21 -20.154 -21.199 -28.066 1.00 0.00 C ATOM 1472 CG ASP B 21 -19.130 -20.348 -28.792 1.00 0.00 C ATOM 1473 OD1 ASP B 21 -17.966 -20.301 -28.350 1.00 0.00 O1- ATOM 1474 OD2 ASP B 21 -19.481 -19.740 -29.827 1.00 0.00 O ATOM 0 H ASP B 21 -22.156 -21.973 -26.643 1.00 0.00 H new ATOM 0 HA ASP B 21 -19.634 -20.541 -26.084 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -19.759 -22.208 -27.949 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -21.051 -21.277 -28.680 1.00 0.00 H new ATOM 1479 N LEU B 22 -22.493 -19.221 -26.565 1.00 0.00 N ATOM 1480 CA LEU B 22 -23.268 -17.992 -26.725 1.00 0.00 C ATOM 1481 C LEU B 22 -22.794 -16.882 -25.789 1.00 0.00 C ATOM 1482 O LEU B 22 -22.840 -15.707 -26.145 1.00 0.00 O ATOM 1483 CB LEU B 22 -24.756 -18.257 -26.488 1.00 0.00 C ATOM 1484 CG LEU B 22 -25.442 -19.141 -27.532 1.00 0.00 C ATOM 1485 CD1 LEU B 22 -26.897 -19.372 -27.157 1.00 0.00 C ATOM 1486 CD2 LEU B 22 -25.343 -18.520 -28.919 1.00 0.00 C ATOM 0 H LEU B 22 -23.040 -20.021 -26.247 1.00 0.00 H new ATOM 0 HA LEU B 22 -23.114 -17.656 -27.750 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -24.873 -18.723 -25.510 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -25.276 -17.300 -26.450 1.00 0.00 H new ATOM 0 HG LEU B 22 -24.930 -20.103 -27.553 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -27.371 -20.002 -27.909 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -26.949 -19.865 -26.186 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -27.416 -18.415 -27.106 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -25.838 -19.167 -29.643 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -25.826 -17.543 -28.916 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -24.294 -18.405 -29.192 1.00 0.00 H new ATOM 1498 N TRP B 23 -22.336 -17.246 -24.597 1.00 0.00 N ATOM 1499 CA TRP B 23 -21.910 -16.245 -23.625 1.00 0.00 C ATOM 1500 C TRP B 23 -20.411 -15.974 -23.732 1.00 0.00 C ATOM 1501 O TRP B 23 -19.867 -15.140 -23.009 1.00 0.00 O ATOM 1502 CB TRP B 23 -22.287 -16.664 -22.198 1.00 0.00 C ATOM 1503 CG TRP B 23 -21.642 -17.931 -21.723 1.00 0.00 C ATOM 1504 CD1 TRP B 23 -22.118 -19.199 -21.877 1.00 0.00 C ATOM 1505 CD2 TRP B 23 -20.411 -18.048 -20.998 1.00 0.00 C ATOM 1506 NE1 TRP B 23 -21.259 -20.097 -21.294 1.00 0.00 N ATOM 1507 CE2 TRP B 23 -20.202 -19.416 -20.752 1.00 0.00 C ATOM 1508 CE3 TRP B 23 -19.462 -17.130 -20.537 1.00 0.00 C ATOM 1509 CZ2 TRP B 23 -19.088 -19.888 -20.064 1.00 0.00 C ATOM 1510 CZ3 TRP B 23 -18.356 -17.600 -19.855 1.00 0.00 C ATOM 1511 CH2 TRP B 23 -18.176 -18.969 -19.626 1.00 0.00 C ATOM 0 H TRP B 23 -22.250 -18.213 -24.283 1.00 0.00 H new ATOM 0 HA TRP B 23 -22.436 -15.318 -23.855 1.00 0.00 H new ATOM 0 HB2 TRP B 23 -22.018 -15.858 -21.515 1.00 0.00 H new ATOM 0 HB3 TRP B 23 -23.369 -16.781 -22.143 1.00 0.00 H new ATOM 0 HD1 TRP B 23 -23.036 -19.459 -22.383 1.00 0.00 H new ATOM 0 HE1 TRP B 23 -21.387 -21.109 -21.269 1.00 0.00 H new ATOM 0 HE3 TRP B 23 -19.591 -16.072 -20.711 1.00 0.00 H new ATOM 0 HZ2 TRP B 23 -18.949 -20.944 -19.883 1.00 0.00 H new ATOM 0 HZ3 TRP B 23 -17.618 -16.899 -19.493 1.00 0.00 H new ATOM 0 HH2 TRP B 23 -17.299 -19.306 -19.093 1.00 0.00 H new ATOM 1522 N LYS B 24 -19.751 -16.656 -24.661 1.00 0.00 N ATOM 1523 CA LYS B 24 -18.317 -16.471 -24.880 1.00 0.00 C ATOM 1524 C LYS B 24 -18.051 -15.261 -25.771 1.00 0.00 C ATOM 1525 O LYS B 24 -17.018 -15.181 -26.440 1.00 0.00 O ATOM 1526 CB LYS B 24 -17.696 -17.723 -25.503 1.00 0.00 C ATOM 1527 CG LYS B 24 -17.520 -18.878 -24.529 1.00 0.00 C ATOM 1528 CD LYS B 24 -16.895 -20.077 -25.217 1.00 0.00 C ATOM 1529 CE LYS B 24 -16.541 -21.179 -24.229 1.00 0.00 C ATOM 1530 NZ LYS B 24 -15.479 -20.756 -23.276 1.00 0.00 N1+ ATOM 0 H LYS B 24 -20.185 -17.344 -25.277 1.00 0.00 H new ATOM 0 HA LYS B 24 -17.855 -16.296 -23.909 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -18.323 -18.053 -26.332 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -16.724 -17.464 -25.922 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -16.892 -18.564 -23.696 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -18.487 -19.157 -24.111 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -17.586 -20.468 -25.964 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -15.996 -19.763 -25.748 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -17.433 -21.467 -23.673 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -16.207 -22.061 -24.775 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -14.932 -21.587 -22.975 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -14.846 -20.075 -23.742 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -15.916 -20.310 -22.445 1.00 0.00 H new ATOM 1544 N LEU B 25 -18.991 -14.323 -25.767 1.00 0.00 N ATOM 1545 CA LEU B 25 -18.861 -13.085 -26.527 1.00 0.00 C ATOM 1546 C LEU B 25 -17.731 -12.238 -25.956 1.00 0.00 C ATOM 1547 O LEU B 25 -17.067 -11.491 -26.677 1.00 0.00 O ATOM 1548 CB LEU B 25 -20.173 -12.298 -26.483 1.00 0.00 C ATOM 1549 CG LEU B 25 -21.392 -13.033 -27.040 1.00 0.00 C ATOM 1550 CD1 LEU B 25 -22.642 -12.189 -26.862 1.00 0.00 C ATOM 1551 CD2 LEU B 25 -21.184 -13.373 -28.508 1.00 0.00 C ATOM 0 H LEU B 25 -19.861 -14.398 -25.240 1.00 0.00 H new ATOM 0 HA LEU B 25 -18.632 -13.333 -27.563 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -20.377 -12.021 -25.449 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -20.041 -11.371 -27.041 1.00 0.00 H new ATOM 0 HG LEU B 25 -21.519 -13.963 -26.487 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -23.503 -12.724 -27.263 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -22.799 -11.991 -25.802 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -22.522 -11.245 -27.393 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -22.062 -13.896 -28.888 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -21.034 -12.455 -29.076 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -20.307 -14.012 -28.613 1.00 0.00 H new ATOM 1563 N LEU B 26 -17.528 -12.369 -24.651 1.00 0.00 N ATOM 1564 CA LEU B 26 -16.442 -11.692 -23.959 1.00 0.00 C ATOM 1565 C LEU B 26 -15.110 -12.370 -24.253 1.00 0.00 C ATOM 1566 O LEU B 26 -15.085 -13.460 -24.824 1.00 0.00 O ATOM 1567 CB LEU B 26 -16.711 -11.684 -22.444 1.00 0.00 C ATOM 1568 CG LEU B 26 -17.425 -12.920 -21.875 1.00 0.00 C ATOM 1569 CD1 LEU B 26 -16.541 -14.156 -21.939 1.00 0.00 C ATOM 1570 CD2 LEU B 26 -17.864 -12.662 -20.443 1.00 0.00 C ATOM 0 H LEU B 26 -18.111 -12.946 -24.045 1.00 0.00 H new ATOM 0 HA LEU B 26 -16.389 -10.664 -24.318 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -15.758 -11.571 -21.927 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -17.308 -10.804 -22.207 1.00 0.00 H new ATOM 0 HG LEU B 26 -18.305 -13.108 -22.491 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -17.079 -15.010 -21.528 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -16.275 -14.360 -22.976 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -15.634 -13.985 -21.359 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -18.368 -13.546 -20.052 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -16.991 -12.441 -19.829 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -18.548 -11.814 -20.419 1.00 0.00 H new ATOM 1582 N PRO B 27 -13.982 -11.738 -23.892 1.00 0.00 N ATOM 1583 CA PRO B 27 -12.687 -12.403 -23.949 1.00 0.00 C ATOM 1584 C PRO B 27 -12.627 -13.539 -22.933 1.00 0.00 C ATOM 1585 O PRO B 27 -12.307 -13.340 -21.757 1.00 0.00 O ATOM 1586 CB PRO B 27 -11.687 -11.295 -23.603 1.00 0.00 C ATOM 1587 CG PRO B 27 -12.485 -10.266 -22.873 1.00 0.00 C ATOM 1588 CD PRO B 27 -13.875 -10.341 -23.437 1.00 0.00 C ATOM 0 HA PRO B 27 -12.482 -12.856 -24.919 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -10.875 -11.676 -22.984 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -11.234 -10.878 -24.502 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -12.488 -10.463 -21.801 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -12.061 -9.272 -23.013 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -14.627 -10.104 -22.685 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -14.014 -9.639 -24.259 1.00 0.00 H new ATOM 1596 N GLU B 28 -12.953 -14.730 -23.397 1.00 0.00 N ATOM 1597 CA GLU B 28 -13.050 -15.888 -22.532 1.00 0.00 C ATOM 1598 C GLU B 28 -11.724 -16.639 -22.485 1.00 0.00 C ATOM 1599 O GLU B 28 -11.343 -17.317 -23.440 1.00 0.00 O ATOM 1600 CB GLU B 28 -14.171 -16.812 -23.022 1.00 0.00 C ATOM 1601 CG GLU B 28 -14.930 -17.506 -21.902 1.00 0.00 C ATOM 1602 CD GLU B 28 -14.030 -18.325 -21.008 1.00 0.00 C ATOM 1603 OE1 GLU B 28 -13.397 -17.739 -20.110 1.00 0.00 O ATOM 1604 OE2 GLU B 28 -13.947 -19.553 -21.212 1.00 0.00 O1- ATOM 0 H GLU B 28 -13.157 -14.921 -24.378 1.00 0.00 H new ATOM 0 HA GLU B 28 -13.284 -15.551 -21.522 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -14.874 -16.230 -23.618 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -13.744 -17.568 -23.681 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -15.448 -16.758 -21.302 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -15.694 -18.153 -22.333 1.00 0.00 H new ATOM 1611 N ASN B 29 -11.023 -16.497 -21.373 1.00 0.00 N ATOM 1612 CA ASN B 29 -9.756 -17.193 -21.168 1.00 0.00 C ATOM 1613 C ASN B 29 -9.889 -18.205 -20.035 1.00 0.00 C ATOM 1614 O ASN B 29 -9.314 -19.293 -20.079 1.00 0.00 O ATOM 1615 CB ASN B 29 -8.639 -16.198 -20.829 1.00 0.00 C ATOM 1616 CG ASN B 29 -8.377 -15.188 -21.935 1.00 0.00 C ATOM 1617 OD1 ASN B 29 -7.579 -15.434 -22.841 1.00 0.00 O ATOM 1618 ND2 ASN B 29 -9.031 -14.036 -21.855 1.00 0.00 N ATOM 0 H ASN B 29 -11.308 -15.904 -20.593 1.00 0.00 H new ATOM 0 HA ASN B 29 -9.501 -17.711 -22.092 1.00 0.00 H new ATOM 0 HB2 ASN B 29 -8.901 -15.665 -19.915 1.00 0.00 H new ATOM 0 HB3 ASN B 29 -7.721 -16.749 -20.625 1.00 0.00 H new ATOM 0 HD21 ASN B 29 -8.881 -13.314 -22.560 1.00 0.00 H new ATOM 0 HD22 ASN B 29 -9.683 -13.872 -21.088 1.00 0.00 H new ATOM 1625 N ASN B 30 -10.671 -17.831 -19.031 1.00 0.00 N ATOM 1626 CA ASN B 30 -10.843 -18.633 -17.821 1.00 0.00 C ATOM 1627 C ASN B 30 -11.946 -18.005 -16.965 1.00 0.00 C ATOM 1628 O ASN B 30 -12.029 -18.235 -15.762 1.00 0.00 O ATOM 1629 CB ASN B 30 -9.502 -18.679 -17.052 1.00 0.00 C ATOM 1630 CG ASN B 30 -9.498 -19.614 -15.849 1.00 0.00 C ATOM 1631 OD1 ASN B 30 -9.235 -20.811 -15.971 1.00 0.00 O ATOM 1632 ND2 ASN B 30 -9.743 -19.060 -14.670 1.00 0.00 N ATOM 0 H ASN B 30 -11.206 -16.962 -19.030 1.00 0.00 H new ATOM 0 HA ASN B 30 -11.133 -19.653 -18.072 1.00 0.00 H new ATOM 0 HB2 ASN B 30 -8.714 -18.987 -17.739 1.00 0.00 H new ATOM 0 HB3 ASN B 30 -9.256 -17.672 -16.715 1.00 0.00 H new ATOM 0 HD21 ASN B 30 -9.717 -19.629 -13.824 1.00 0.00 H new ATOM 0 HD22 ASN B 30 -9.957 -18.065 -14.609 1.00 0.00 H new ATOM 1639 N VAL B 31 -12.836 -17.252 -17.617 1.00 0.00 N ATOM 1640 CA VAL B 31 -13.757 -16.349 -16.926 1.00 0.00 C ATOM 1641 C VAL B 31 -12.990 -15.503 -15.910 1.00 0.00 C ATOM 1642 O VAL B 31 -12.923 -15.820 -14.720 1.00 0.00 O ATOM 1643 CB VAL B 31 -14.921 -17.097 -16.233 1.00 0.00 C ATOM 1644 CG1 VAL B 31 -15.882 -16.112 -15.586 1.00 0.00 C ATOM 1645 CG2 VAL B 31 -15.657 -17.974 -17.234 1.00 0.00 C ATOM 0 H VAL B 31 -12.937 -17.251 -18.632 1.00 0.00 H new ATOM 0 HA VAL B 31 -14.204 -15.703 -17.682 1.00 0.00 H new ATOM 0 HB VAL B 31 -14.504 -17.733 -15.452 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -16.693 -16.658 -15.104 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -15.350 -15.521 -14.841 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -16.293 -15.450 -16.349 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -16.473 -18.494 -16.732 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -16.060 -17.353 -18.034 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -14.966 -18.705 -17.655 1.00 0.00 H new ATOM 1655 N LEU B 32 -12.378 -14.437 -16.401 1.00 0.00 N ATOM 1656 CA LEU B 32 -11.490 -13.629 -15.585 1.00 0.00 C ATOM 1657 C LEU B 32 -12.249 -12.526 -14.866 1.00 0.00 C ATOM 1658 O LEU B 32 -13.163 -11.915 -15.421 1.00 0.00 O ATOM 1659 CB LEU B 32 -10.379 -13.025 -16.446 1.00 0.00 C ATOM 1660 CG LEU B 32 -9.483 -14.043 -17.158 1.00 0.00 C ATOM 1661 CD1 LEU B 32 -8.455 -13.330 -18.023 1.00 0.00 C ATOM 1662 CD2 LEU B 32 -8.796 -14.951 -16.148 1.00 0.00 C ATOM 0 H LEU B 32 -12.481 -14.112 -17.362 1.00 0.00 H new ATOM 0 HA LEU B 32 -11.046 -14.280 -14.832 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -10.833 -12.377 -17.196 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -9.754 -12.393 -15.815 1.00 0.00 H new ATOM 0 HG LEU B 32 -10.108 -14.661 -17.803 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -7.826 -14.067 -18.522 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -8.966 -12.723 -18.770 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -7.835 -12.688 -17.397 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -8.164 -15.667 -16.673 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -8.183 -14.350 -15.477 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -9.549 -15.487 -15.570 1.00 0.00 H new ATOM 1674 N SER B 33 -11.887 -12.307 -13.615 1.00 0.00 N ATOM 1675 CA SER B 33 -12.416 -11.197 -12.842 1.00 0.00 C ATOM 1676 C SER B 33 -11.843 -9.883 -13.370 1.00 0.00 C ATOM 1677 O SER B 33 -10.712 -9.856 -13.863 1.00 0.00 O ATOM 1678 CB SER B 33 -12.040 -11.379 -11.370 1.00 0.00 C ATOM 1679 OG SER B 33 -12.266 -12.715 -10.953 1.00 0.00 O ATOM 0 H SER B 33 -11.221 -12.890 -13.108 1.00 0.00 H new ATOM 0 HA SER B 33 -13.502 -11.172 -12.935 1.00 0.00 H new ATOM 0 HB2 SER B 33 -10.991 -11.120 -11.223 1.00 0.00 H new ATOM 0 HB3 SER B 33 -12.626 -10.697 -10.754 1.00 0.00 H new ATOM 0 HG SER B 33 -12.018 -12.810 -10.010 1.00 0.00 H new ATOM 1685 N PRO B 34 -12.613 -8.787 -13.298 1.00 0.00 N ATOM 1686 CA PRO B 34 -12.138 -7.471 -13.732 1.00 0.00 C ATOM 1687 C PRO B 34 -10.928 -7.020 -12.919 1.00 0.00 C ATOM 1688 O PRO B 34 -11.042 -6.705 -11.732 1.00 0.00 O ATOM 1689 CB PRO B 34 -13.335 -6.545 -13.481 1.00 0.00 C ATOM 1690 CG PRO B 34 -14.514 -7.452 -13.379 1.00 0.00 C ATOM 1691 CD PRO B 34 -13.995 -8.738 -12.802 1.00 0.00 C ATOM 0 HA PRO B 34 -11.812 -7.472 -14.772 1.00 0.00 H new ATOM 0 HB2 PRO B 34 -13.202 -5.968 -12.566 1.00 0.00 H new ATOM 0 HB3 PRO B 34 -13.457 -5.830 -14.294 1.00 0.00 H new ATOM 0 HG2 PRO B 34 -15.285 -7.020 -12.741 1.00 0.00 H new ATOM 0 HG3 PRO B 34 -14.966 -7.617 -14.357 1.00 0.00 H new ATOM 0 HD2 PRO B 34 -14.033 -8.736 -11.713 1.00 0.00 H new ATOM 0 HD3 PRO B 34 -14.576 -9.596 -13.140 1.00 0.00 H new ATOM 1699 N LEU B 35 -9.768 -7.011 -13.561 1.00 0.00 N ATOM 1700 CA LEU B 35 -8.523 -6.681 -12.887 1.00 0.00 C ATOM 1701 C LEU B 35 -8.115 -5.241 -13.177 1.00 0.00 C ATOM 1702 O LEU B 35 -7.969 -4.853 -14.340 1.00 0.00 O ATOM 1703 CB LEU B 35 -7.413 -7.636 -13.336 1.00 0.00 C ATOM 1704 CG LEU B 35 -6.063 -7.447 -12.642 1.00 0.00 C ATOM 1705 CD1 LEU B 35 -6.172 -7.768 -11.159 1.00 0.00 C ATOM 1706 CD2 LEU B 35 -4.999 -8.314 -13.298 1.00 0.00 C ATOM 0 H LEU B 35 -9.665 -7.230 -14.552 1.00 0.00 H new ATOM 0 HA LEU B 35 -8.677 -6.788 -11.813 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -7.748 -8.660 -13.168 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -7.269 -7.519 -14.410 1.00 0.00 H new ATOM 0 HG LEU B 35 -5.769 -6.403 -12.746 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -5.201 -7.627 -10.684 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -6.902 -7.104 -10.696 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -6.491 -8.803 -11.033 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -4.046 -8.166 -12.791 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -5.289 -9.362 -13.227 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -4.899 -8.036 -14.347 1.00 0.00 H new ATOM 1718 N PRO B 36 -7.957 -4.420 -12.130 1.00 0.00 N ATOM 1719 CA PRO B 36 -7.453 -3.065 -12.263 1.00 0.00 C ATOM 1720 C PRO B 36 -5.927 -3.039 -12.251 1.00 0.00 C ATOM 1721 O PRO B 36 -5.297 -3.271 -11.220 1.00 0.00 O ATOM 1722 CB PRO B 36 -8.022 -2.340 -11.035 1.00 0.00 C ATOM 1723 CG PRO B 36 -8.637 -3.395 -10.160 1.00 0.00 C ATOM 1724 CD PRO B 36 -8.266 -4.737 -10.733 1.00 0.00 C ATOM 0 HA PRO B 36 -7.748 -2.600 -13.204 1.00 0.00 H new ATOM 0 HB2 PRO B 36 -7.236 -1.805 -10.502 1.00 0.00 H new ATOM 0 HB3 PRO B 36 -8.766 -1.601 -11.332 1.00 0.00 H new ATOM 0 HG2 PRO B 36 -8.274 -3.302 -9.136 1.00 0.00 H new ATOM 0 HG3 PRO B 36 -9.720 -3.280 -10.126 1.00 0.00 H new ATOM 0 HD2 PRO B 36 -7.410 -5.174 -10.219 1.00 0.00 H new ATOM 0 HD3 PRO B 36 -9.085 -5.452 -10.652 1.00 0.00 H new ATOM 1732 N SER B 37 -5.337 -2.755 -13.399 1.00 0.00 N ATOM 1733 CA SER B 37 -3.889 -2.789 -13.535 1.00 0.00 C ATOM 1734 C SER B 37 -3.226 -1.580 -12.879 1.00 0.00 C ATOM 1735 O SER B 37 -2.062 -1.640 -12.489 1.00 0.00 O ATOM 1736 CB SER B 37 -3.514 -2.871 -15.014 1.00 0.00 C ATOM 1737 OG SER B 37 -4.231 -1.917 -15.784 1.00 0.00 O ATOM 0 H SER B 37 -5.837 -2.498 -14.250 1.00 0.00 H new ATOM 0 HA SER B 37 -3.522 -3.675 -13.017 1.00 0.00 H new ATOM 0 HB2 SER B 37 -2.443 -2.703 -15.129 1.00 0.00 H new ATOM 0 HB3 SER B 37 -3.722 -3.873 -15.389 1.00 0.00 H new ATOM 0 HG SER B 37 -3.969 -1.992 -16.725 1.00 0.00 H new ATOM 1743 N GLN B 38 -3.975 -0.491 -12.743 1.00 0.00 N ATOM 1744 CA GLN B 38 -3.429 0.742 -12.189 1.00 0.00 C ATOM 1745 C GLN B 38 -4.177 1.141 -10.913 1.00 0.00 C ATOM 1746 O GLN B 38 -4.064 2.267 -10.428 1.00 0.00 O ATOM 1747 CB GLN B 38 -3.497 1.854 -13.250 1.00 0.00 C ATOM 1748 CG GLN B 38 -2.732 3.126 -12.892 1.00 0.00 C ATOM 1749 CD GLN B 38 -1.302 2.852 -12.466 1.00 0.00 C ATOM 1750 OE1 GLN B 38 -1.015 2.687 -11.280 1.00 0.00 O ATOM 1751 NE2 GLN B 38 -0.398 2.785 -13.430 1.00 0.00 N ATOM 0 H GLN B 38 -4.959 -0.437 -13.008 1.00 0.00 H new ATOM 0 HA GLN B 38 -2.385 0.584 -11.917 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -3.107 1.464 -14.190 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -4.542 2.111 -13.421 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -2.728 3.796 -13.752 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -3.253 3.644 -12.087 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -0.676 2.928 -14.401 1.00 0.00 H new ATOM 0 HE22 GLN B 38 0.577 2.591 -13.202 1.00 0.00 H new ATOM 1760 N ALA B 39 -4.925 0.201 -10.351 1.00 0.00 N ATOM 1761 CA ALA B 39 -5.660 0.468 -9.124 1.00 0.00 C ATOM 1762 C ALA B 39 -5.557 -0.697 -8.163 1.00 0.00 C ATOM 1763 O ALA B 39 -6.371 -1.616 -8.185 1.00 0.00 O ATOM 1764 CB ALA B 39 -7.116 0.801 -9.418 1.00 0.00 C ATOM 0 H ALA B 39 -5.038 -0.743 -10.721 1.00 0.00 H new ATOM 0 HA ALA B 39 -5.206 1.338 -8.649 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -7.641 0.996 -8.483 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -7.166 1.685 -10.053 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -7.585 -0.040 -9.929 1.00 0.00 H new ATOM 1770 N MET B 40 -4.527 -0.654 -7.335 1.00 0.00 N ATOM 1771 CA MET B 40 -4.318 -1.676 -6.329 1.00 0.00 C ATOM 1772 C MET B 40 -4.062 -1.043 -4.971 1.00 0.00 C ATOM 1773 O MET B 40 -3.803 -1.739 -3.983 1.00 0.00 O ATOM 1774 CB MET B 40 -3.167 -2.598 -6.700 1.00 0.00 C ATOM 1775 CG MET B 40 -3.405 -3.414 -7.961 1.00 0.00 C ATOM 1776 SD MET B 40 -4.824 -4.522 -7.810 1.00 0.00 S ATOM 1777 CE MET B 40 -4.389 -5.434 -6.331 1.00 0.00 C ATOM 0 H MET B 40 -3.821 0.082 -7.342 1.00 0.00 H new ATOM 0 HA MET B 40 -5.227 -2.276 -6.277 1.00 0.00 H new ATOM 0 HB2 MET B 40 -2.265 -2.000 -6.832 1.00 0.00 H new ATOM 0 HB3 MET B 40 -2.979 -3.279 -5.870 1.00 0.00 H new ATOM 0 HG2 MET B 40 -3.563 -2.739 -8.802 1.00 0.00 H new ATOM 0 HG3 MET B 40 -2.513 -3.999 -8.185 1.00 0.00 H new ATOM 0 HE1 MET B 40 -4.939 -6.375 -6.309 1.00 0.00 H new ATOM 0 HE2 MET B 40 -3.319 -5.640 -6.332 1.00 0.00 H new ATOM 0 HE3 MET B 40 -4.644 -4.843 -5.451 1.00 0.00 H new ATOM 1787 N ASP B 41 -4.159 0.287 -4.918 1.00 0.00 N ATOM 1788 CA ASP B 41 -4.101 1.014 -3.650 1.00 0.00 C ATOM 1789 C ASP B 41 -5.346 0.690 -2.839 1.00 0.00 C ATOM 1790 O ASP B 41 -5.494 1.107 -1.687 1.00 0.00 O ATOM 1791 CB ASP B 41 -4.004 2.528 -3.882 1.00 0.00 C ATOM 1792 CG ASP B 41 -5.256 3.104 -4.509 1.00 0.00 C ATOM 1793 OD1 ASP B 41 -5.380 3.047 -5.747 1.00 0.00 O ATOM 1794 OD2 ASP B 41 -6.115 3.627 -3.763 1.00 0.00 O1- ATOM 0 H ASP B 41 -4.278 0.881 -5.738 1.00 0.00 H new ATOM 0 HA ASP B 41 -3.209 0.704 -3.106 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -3.817 3.026 -2.931 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -3.150 2.739 -4.526 1.00 0.00 H new ATOM 1799 N ASP B 42 -6.242 -0.047 -3.488 1.00 0.00 N ATOM 1800 CA ASP B 42 -7.395 -0.657 -2.852 1.00 0.00 C ATOM 1801 C ASP B 42 -6.974 -1.396 -1.597 1.00 0.00 C ATOM 1802 O ASP B 42 -7.618 -1.297 -0.551 1.00 0.00 O ATOM 1803 CB ASP B 42 -8.048 -1.639 -3.832 1.00 0.00 C ATOM 1804 CG ASP B 42 -9.172 -2.440 -3.201 1.00 0.00 C ATOM 1805 OD1 ASP B 42 -10.301 -1.913 -3.101 1.00 0.00 O ATOM 1806 OD2 ASP B 42 -8.937 -3.596 -2.811 1.00 0.00 O1- ATOM 0 H ASP B 42 -6.182 -0.238 -4.488 1.00 0.00 H new ATOM 0 HA ASP B 42 -8.106 0.122 -2.577 1.00 0.00 H new ATOM 0 HB2 ASP B 42 -8.437 -1.087 -4.687 1.00 0.00 H new ATOM 0 HB3 ASP B 42 -7.290 -2.323 -4.213 1.00 0.00 H new ATOM 1811 N LEU B 43 -5.870 -2.115 -1.703 1.00 0.00 N ATOM 1812 CA LEU B 43 -5.367 -2.888 -0.593 1.00 0.00 C ATOM 1813 C LEU B 43 -4.124 -2.241 0.010 1.00 0.00 C ATOM 1814 O LEU B 43 -4.184 -1.694 1.112 1.00 0.00 O ATOM 1815 CB LEU B 43 -5.059 -4.320 -1.030 1.00 0.00 C ATOM 1816 CG LEU B 43 -6.273 -5.197 -1.331 1.00 0.00 C ATOM 1817 CD1 LEU B 43 -5.829 -6.607 -1.691 1.00 0.00 C ATOM 1818 CD2 LEU B 43 -7.205 -5.225 -0.135 1.00 0.00 C ATOM 0 H LEU B 43 -5.307 -2.176 -2.551 1.00 0.00 H new ATOM 0 HA LEU B 43 -6.142 -2.915 0.173 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -4.432 -4.281 -1.921 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -4.472 -4.801 -0.248 1.00 0.00 H new ATOM 0 HG LEU B 43 -6.809 -4.776 -2.182 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -6.704 -7.221 -1.903 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -5.188 -6.573 -2.572 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -5.276 -7.039 -0.856 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -8.067 -5.853 -0.360 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -6.677 -5.630 0.728 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -7.542 -4.213 0.088 1.00 0.00 H new ATOM 1830 N MET B 44 -3.003 -2.277 -0.709 1.00 0.00 N ATOM 1831 CA MET B 44 -1.748 -1.811 -0.129 1.00 0.00 C ATOM 1832 C MET B 44 -0.965 -0.829 -1.009 1.00 0.00 C ATOM 1833 O MET B 44 -0.824 0.336 -0.650 1.00 0.00 O ATOM 1834 CB MET B 44 -0.867 -2.988 0.322 1.00 0.00 C ATOM 1835 CG MET B 44 -0.446 -3.969 -0.762 1.00 0.00 C ATOM 1836 SD MET B 44 -1.806 -4.949 -1.433 1.00 0.00 S ATOM 1837 CE MET B 44 -2.334 -5.856 0.026 1.00 0.00 C ATOM 0 H MET B 44 -2.938 -2.615 -1.669 1.00 0.00 H new ATOM 0 HA MET B 44 -2.037 -1.235 0.750 1.00 0.00 H new ATOM 0 HB2 MET B 44 0.033 -2.584 0.786 1.00 0.00 H new ATOM 0 HB3 MET B 44 -1.403 -3.540 1.094 1.00 0.00 H new ATOM 0 HG2 MET B 44 0.026 -3.416 -1.575 1.00 0.00 H new ATOM 0 HG3 MET B 44 0.308 -4.643 -0.355 1.00 0.00 H new ATOM 0 HE1 MET B 44 -3.214 -6.452 -0.215 1.00 0.00 H new ATOM 0 HE2 MET B 44 -1.530 -6.514 0.356 1.00 0.00 H new ATOM 0 HE3 MET B 44 -2.578 -5.153 0.823 1.00 0.00 H new ATOM 1847 N LEU B 45 -0.473 -1.269 -2.156 1.00 0.00 N ATOM 1848 CA LEU B 45 0.533 -0.492 -2.881 1.00 0.00 C ATOM 1849 C LEU B 45 0.083 -0.176 -4.306 1.00 0.00 C ATOM 1850 O LEU B 45 -0.535 -1.004 -4.975 1.00 0.00 O ATOM 1851 CB LEU B 45 1.888 -1.233 -2.860 1.00 0.00 C ATOM 1852 CG LEU B 45 2.586 -1.251 -1.484 1.00 0.00 C ATOM 1853 CD1 LEU B 45 3.913 -2.019 -1.513 1.00 0.00 C ATOM 1854 CD2 LEU B 45 2.823 0.174 -1.016 1.00 0.00 C ATOM 0 H LEU B 45 -0.745 -2.144 -2.603 1.00 0.00 H new ATOM 0 HA LEU B 45 0.658 0.466 -2.376 1.00 0.00 H new ATOM 0 HB2 LEU B 45 1.731 -2.261 -3.187 1.00 0.00 H new ATOM 0 HB3 LEU B 45 2.554 -0.766 -3.585 1.00 0.00 H new ATOM 0 HG LEU B 45 1.928 -1.770 -0.787 1.00 0.00 H new ATOM 0 HD11 LEU B 45 4.365 -2.002 -0.521 1.00 0.00 H new ATOM 0 HD12 LEU B 45 3.730 -3.051 -1.811 1.00 0.00 H new ATOM 0 HD13 LEU B 45 4.589 -1.550 -2.228 1.00 0.00 H new ATOM 0 HD21 LEU B 45 3.316 0.160 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU B 45 3.455 0.693 -1.736 1.00 0.00 H new ATOM 0 HD23 LEU B 45 1.868 0.693 -0.931 1.00 0.00 H new ATOM 1866 N SER B 46 0.391 1.041 -4.746 1.00 0.00 N ATOM 1867 CA SER B 46 -0.036 1.540 -6.046 1.00 0.00 C ATOM 1868 C SER B 46 0.958 1.180 -7.154 1.00 0.00 C ATOM 1869 O SER B 46 2.155 1.451 -7.038 1.00 0.00 O ATOM 1870 CB SER B 46 -0.220 3.056 -5.964 1.00 0.00 C ATOM 1871 OG SER B 46 0.760 3.644 -5.117 1.00 0.00 O ATOM 0 H SER B 46 0.945 1.708 -4.209 1.00 0.00 H new ATOM 0 HA SER B 46 -0.982 1.064 -6.302 1.00 0.00 H new ATOM 0 HB2 SER B 46 -0.150 3.489 -6.962 1.00 0.00 H new ATOM 0 HB3 SER B 46 -1.217 3.285 -5.586 1.00 0.00 H new ATOM 0 HG SER B 46 1.159 4.418 -5.567 1.00 0.00 H new ATOM 1877 N PRO B 47 0.455 0.573 -8.247 1.00 0.00 N ATOM 1878 CA PRO B 47 1.277 0.102 -9.379 1.00 0.00 C ATOM 1879 C PRO B 47 2.223 1.164 -9.948 1.00 0.00 C ATOM 1880 O PRO B 47 3.372 0.860 -10.274 1.00 0.00 O ATOM 1881 CB PRO B 47 0.235 -0.292 -10.425 1.00 0.00 C ATOM 1882 CG PRO B 47 -0.971 -0.648 -9.634 1.00 0.00 C ATOM 1883 CD PRO B 47 -0.977 0.289 -8.460 1.00 0.00 C ATOM 0 HA PRO B 47 1.941 -0.705 -9.070 1.00 0.00 H new ATOM 0 HB2 PRO B 47 0.031 0.530 -11.111 1.00 0.00 H new ATOM 0 HB3 PRO B 47 0.577 -1.133 -11.028 1.00 0.00 H new ATOM 0 HG2 PRO B 47 -1.877 -0.536 -10.229 1.00 0.00 H new ATOM 0 HG3 PRO B 47 -0.932 -1.687 -9.306 1.00 0.00 H new ATOM 0 HD2 PRO B 47 -1.540 1.198 -8.673 1.00 0.00 H new ATOM 0 HD3 PRO B 47 -1.432 -0.169 -7.582 1.00 0.00 H new ATOM 1891 N ASP B 48 1.738 2.402 -10.064 1.00 0.00 N ATOM 1892 CA ASP B 48 2.529 3.502 -10.635 1.00 0.00 C ATOM 1893 C ASP B 48 3.842 3.693 -9.878 1.00 0.00 C ATOM 1894 O ASP B 48 4.909 3.814 -10.481 1.00 0.00 O ATOM 1895 CB ASP B 48 1.712 4.801 -10.618 1.00 0.00 C ATOM 1896 CG ASP B 48 2.433 5.966 -11.275 1.00 0.00 C ATOM 1897 OD1 ASP B 48 2.557 5.972 -12.518 1.00 0.00 O1- ATOM 1898 OD2 ASP B 48 2.853 6.901 -10.556 1.00 0.00 O ATOM 0 H ASP B 48 0.799 2.672 -9.770 1.00 0.00 H new ATOM 0 HA ASP B 48 2.772 3.245 -11.666 1.00 0.00 H new ATOM 0 HB2 ASP B 48 0.764 4.634 -11.129 1.00 0.00 H new ATOM 0 HB3 ASP B 48 1.477 5.062 -9.586 1.00 0.00 H new ATOM 1903 N ASP B 49 3.755 3.705 -8.557 1.00 0.00 N ATOM 1904 CA ASP B 49 4.937 3.826 -7.709 1.00 0.00 C ATOM 1905 C ASP B 49 5.700 2.507 -7.686 1.00 0.00 C ATOM 1906 O ASP B 49 6.927 2.478 -7.702 1.00 0.00 O ATOM 1907 CB ASP B 49 4.540 4.201 -6.275 1.00 0.00 C ATOM 1908 CG ASP B 49 3.720 5.476 -6.194 1.00 0.00 C ATOM 1909 OD1 ASP B 49 4.317 6.569 -6.063 1.00 0.00 O1- ATOM 1910 OD2 ASP B 49 2.472 5.385 -6.244 1.00 0.00 O ATOM 0 H ASP B 49 2.876 3.632 -8.045 1.00 0.00 H new ATOM 0 HA ASP B 49 5.571 4.612 -8.120 1.00 0.00 H new ATOM 0 HB2 ASP B 49 3.970 3.382 -5.837 1.00 0.00 H new ATOM 0 HB3 ASP B 49 5.442 4.318 -5.674 1.00 0.00 H new ATOM 1915 N ILE B 50 4.946 1.421 -7.651 1.00 0.00 N ATOM 1916 CA ILE B 50 5.484 0.070 -7.568 1.00 0.00 C ATOM 1917 C ILE B 50 6.586 -0.221 -8.601 1.00 0.00 C ATOM 1918 O ILE B 50 7.590 -0.845 -8.263 1.00 0.00 O ATOM 1919 CB ILE B 50 4.323 -0.938 -7.706 1.00 0.00 C ATOM 1920 CG1 ILE B 50 3.669 -1.161 -6.343 1.00 0.00 C ATOM 1921 CG2 ILE B 50 4.756 -2.255 -8.338 1.00 0.00 C ATOM 1922 CD1 ILE B 50 2.531 -2.155 -6.367 1.00 0.00 C ATOM 0 H ILE B 50 3.927 1.452 -7.680 1.00 0.00 H new ATOM 0 HA ILE B 50 5.966 -0.032 -6.595 1.00 0.00 H new ATOM 0 HB ILE B 50 3.590 -0.508 -8.388 1.00 0.00 H new ATOM 0 HG12 ILE B 50 4.426 -1.507 -5.639 1.00 0.00 H new ATOM 0 HG13 ILE B 50 3.298 -0.207 -5.968 1.00 0.00 H new ATOM 0 HG21 ILE B 50 3.898 -2.924 -8.409 1.00 0.00 H new ATOM 0 HG22 ILE B 50 5.153 -2.067 -9.335 1.00 0.00 H new ATOM 0 HG23 ILE B 50 5.527 -2.718 -7.722 1.00 0.00 H new ATOM 0 HD11 ILE B 50 2.118 -2.260 -5.364 1.00 0.00 H new ATOM 0 HD12 ILE B 50 1.753 -1.802 -7.044 1.00 0.00 H new ATOM 0 HD13 ILE B 50 2.899 -3.122 -6.710 1.00 0.00 H new ATOM 1934 N GLU B 51 6.426 0.245 -9.837 1.00 0.00 N ATOM 1935 CA GLU B 51 7.403 -0.050 -10.888 1.00 0.00 C ATOM 1936 C GLU B 51 8.739 0.664 -10.654 1.00 0.00 C ATOM 1937 O GLU B 51 9.702 0.450 -11.392 1.00 0.00 O ATOM 1938 CB GLU B 51 6.853 0.311 -12.267 1.00 0.00 C ATOM 1939 CG GLU B 51 5.678 -0.551 -12.705 1.00 0.00 C ATOM 1940 CD GLU B 51 5.603 -0.710 -14.213 1.00 0.00 C ATOM 1941 OE1 GLU B 51 5.113 0.214 -14.898 1.00 0.00 O1- ATOM 1942 OE2 GLU B 51 6.038 -1.766 -14.721 1.00 0.00 O ATOM 0 H GLU B 51 5.640 0.822 -10.136 1.00 0.00 H new ATOM 0 HA GLU B 51 7.588 -1.124 -10.849 1.00 0.00 H new ATOM 0 HB2 GLU B 51 6.543 1.356 -12.262 1.00 0.00 H new ATOM 0 HB3 GLU B 51 7.653 0.219 -13.002 1.00 0.00 H new ATOM 0 HG2 GLU B 51 5.761 -1.535 -12.243 1.00 0.00 H new ATOM 0 HG3 GLU B 51 4.751 -0.106 -12.343 1.00 0.00 H new ATOM 1949 N GLN B 52 8.792 1.513 -9.638 1.00 0.00 N ATOM 1950 CA GLN B 52 10.003 2.266 -9.336 1.00 0.00 C ATOM 1951 C GLN B 52 10.863 1.545 -8.292 1.00 0.00 C ATOM 1952 O GLN B 52 12.089 1.503 -8.406 1.00 0.00 O ATOM 1953 CB GLN B 52 9.632 3.661 -8.824 1.00 0.00 C ATOM 1954 CG GLN B 52 8.617 4.382 -9.699 1.00 0.00 C ATOM 1955 CD GLN B 52 8.127 5.681 -9.086 1.00 0.00 C ATOM 1956 OE1 GLN B 52 8.103 5.841 -7.865 1.00 0.00 O ATOM 1957 NE2 GLN B 52 7.707 6.611 -9.929 1.00 0.00 N ATOM 0 H GLN B 52 8.011 1.698 -9.008 1.00 0.00 H new ATOM 0 HA GLN B 52 10.584 2.353 -10.254 1.00 0.00 H new ATOM 0 HB2 GLN B 52 9.231 3.573 -7.814 1.00 0.00 H new ATOM 0 HB3 GLN B 52 10.536 4.266 -8.757 1.00 0.00 H new ATOM 0 HG2 GLN B 52 9.065 4.591 -10.670 1.00 0.00 H new ATOM 0 HG3 GLN B 52 7.765 3.725 -9.876 1.00 0.00 H new ATOM 0 HE21 GLN B 52 7.743 6.442 -10.934 1.00 0.00 H new ATOM 0 HE22 GLN B 52 7.348 7.497 -9.573 1.00 0.00 H new ATOM 1966 N TRP B 53 10.218 0.975 -7.275 1.00 0.00 N ATOM 1967 CA TRP B 53 10.941 0.389 -6.142 1.00 0.00 C ATOM 1968 C TRP B 53 10.460 -1.025 -5.798 1.00 0.00 C ATOM 1969 O TRP B 53 11.236 -1.852 -5.314 1.00 0.00 O ATOM 1970 CB TRP B 53 10.796 1.294 -4.915 1.00 0.00 C ATOM 1971 CG TRP B 53 9.377 1.678 -4.667 1.00 0.00 C ATOM 1972 CD1 TRP B 53 8.711 2.713 -5.245 1.00 0.00 C ATOM 1973 CD2 TRP B 53 8.439 1.020 -3.811 1.00 0.00 C ATOM 1974 NE1 TRP B 53 7.414 2.732 -4.818 1.00 0.00 N ATOM 1975 CE2 TRP B 53 7.218 1.708 -3.932 1.00 0.00 C ATOM 1976 CE3 TRP B 53 8.511 -0.082 -2.957 1.00 0.00 C ATOM 1977 CZ2 TRP B 53 6.076 1.326 -3.237 1.00 0.00 C ATOM 1978 CZ3 TRP B 53 7.379 -0.460 -2.264 1.00 0.00 C ATOM 1979 CH2 TRP B 53 6.176 0.242 -2.410 1.00 0.00 C ATOM 0 H TRP B 53 9.202 0.905 -7.210 1.00 0.00 H new ATOM 0 HA TRP B 53 11.988 0.310 -6.436 1.00 0.00 H new ATOM 0 HB2 TRP B 53 11.191 0.781 -4.038 1.00 0.00 H new ATOM 0 HB3 TRP B 53 11.395 2.193 -5.055 1.00 0.00 H new ATOM 0 HD1 TRP B 53 9.144 3.417 -5.940 1.00 0.00 H new ATOM 0 HE1 TRP B 53 6.704 3.403 -5.113 1.00 0.00 H new ATOM 0 HE3 TRP B 53 9.435 -0.628 -2.841 1.00 0.00 H new ATOM 0 HZ2 TRP B 53 5.146 1.865 -3.346 1.00 0.00 H new ATOM 0 HZ3 TRP B 53 7.421 -1.310 -1.599 1.00 0.00 H new ATOM 0 HH2 TRP B 53 5.307 -0.081 -1.856 1.00 0.00 H new ATOM 1990 N PHE B 54 9.182 -1.295 -6.046 1.00 0.00 N ATOM 1991 CA PHE B 54 8.550 -2.546 -5.627 1.00 0.00 C ATOM 1992 C PHE B 54 8.890 -3.675 -6.600 1.00 0.00 C ATOM 1993 O PHE B 54 9.149 -4.808 -6.182 1.00 0.00 O ATOM 1994 CB PHE B 54 7.026 -2.331 -5.508 1.00 0.00 C ATOM 1995 CG PHE B 54 6.197 -3.554 -5.167 1.00 0.00 C ATOM 1996 CD1 PHE B 54 6.048 -4.593 -6.078 1.00 0.00 C ATOM 1997 CD2 PHE B 54 5.545 -3.657 -3.940 1.00 0.00 C ATOM 1998 CE1 PHE B 54 5.279 -5.700 -5.776 1.00 0.00 C ATOM 1999 CE2 PHE B 54 4.772 -4.763 -3.639 1.00 0.00 C ATOM 2000 CZ PHE B 54 4.641 -5.784 -4.556 1.00 0.00 C ATOM 0 H PHE B 54 8.557 -0.658 -6.540 1.00 0.00 H new ATOM 0 HA PHE B 54 8.934 -2.841 -4.651 1.00 0.00 H new ATOM 0 HB2 PHE B 54 6.846 -1.573 -4.745 1.00 0.00 H new ATOM 0 HB3 PHE B 54 6.663 -1.925 -6.452 1.00 0.00 H new ATOM 0 HD1 PHE B 54 6.541 -4.534 -7.037 1.00 0.00 H new ATOM 0 HD2 PHE B 54 5.645 -2.863 -3.215 1.00 0.00 H new ATOM 0 HE1 PHE B 54 5.177 -6.500 -6.495 1.00 0.00 H new ATOM 0 HE2 PHE B 54 4.270 -4.827 -2.685 1.00 0.00 H new ATOM 0 HZ PHE B 54 4.039 -6.649 -4.319 1.00 0.00 H new ATOM 2010 N THR B 55 8.906 -3.367 -7.885 1.00 0.00 N ATOM 2011 CA THR B 55 9.225 -4.360 -8.895 1.00 0.00 C ATOM 2012 C THR B 55 10.225 -3.792 -9.898 1.00 0.00 C ATOM 2013 O THR B 55 10.394 -2.575 -9.991 1.00 0.00 O ATOM 2014 CB THR B 55 7.951 -4.846 -9.627 1.00 0.00 C ATOM 2015 OG1 THR B 55 8.252 -5.957 -10.481 1.00 0.00 O ATOM 2016 CG2 THR B 55 7.330 -3.727 -10.450 1.00 0.00 C ATOM 0 H THR B 55 8.702 -2.438 -8.253 1.00 0.00 H new ATOM 0 HA THR B 55 9.673 -5.218 -8.393 1.00 0.00 H new ATOM 0 HB THR B 55 7.235 -5.160 -8.867 1.00 0.00 H new ATOM 0 HG1 THR B 55 7.435 -6.252 -10.934 1.00 0.00 H new ATOM 0 HG21 THR B 55 6.437 -4.098 -10.953 1.00 0.00 H new ATOM 0 HG22 THR B 55 7.060 -2.900 -9.794 1.00 0.00 H new ATOM 0 HG23 THR B 55 8.048 -3.381 -11.194 1.00 0.00 H new ATOM 2024 N GLU B 56 10.894 -4.675 -10.625 1.00 0.00 N ATOM 2025 CA GLU B 56 11.855 -4.273 -11.642 1.00 0.00 C ATOM 2026 C GLU B 56 12.114 -5.421 -12.612 1.00 0.00 C ATOM 2027 O GLU B 56 11.826 -6.581 -12.309 1.00 0.00 O ATOM 2028 CB GLU B 56 13.173 -3.825 -11.000 1.00 0.00 C ATOM 2029 CG GLU B 56 13.850 -4.898 -10.161 1.00 0.00 C ATOM 2030 CD GLU B 56 15.206 -4.464 -9.644 1.00 0.00 C ATOM 2031 OE1 GLU B 56 15.260 -3.787 -8.595 1.00 0.00 O ATOM 2032 OE2 GLU B 56 16.227 -4.808 -10.277 1.00 0.00 O1- ATOM 0 H GLU B 56 10.787 -5.685 -10.528 1.00 0.00 H new ATOM 0 HA GLU B 56 11.433 -3.432 -12.192 1.00 0.00 H new ATOM 0 HB2 GLU B 56 13.858 -3.507 -11.786 1.00 0.00 H new ATOM 0 HB3 GLU B 56 12.982 -2.955 -10.372 1.00 0.00 H new ATOM 0 HG2 GLU B 56 13.208 -5.153 -9.318 1.00 0.00 H new ATOM 0 HG3 GLU B 56 13.966 -5.802 -10.759 1.00 0.00 H new ATOM 2039 N ASP B 57 12.651 -5.090 -13.775 1.00 0.00 N ATOM 2040 CA ASP B 57 13.010 -6.086 -14.775 1.00 0.00 C ATOM 2041 C ASP B 57 14.333 -5.682 -15.422 1.00 0.00 C ATOM 2042 O ASP B 57 14.805 -4.568 -15.191 1.00 0.00 O ATOM 2043 CB ASP B 57 11.895 -6.223 -15.828 1.00 0.00 C ATOM 2044 CG ASP B 57 11.862 -5.082 -16.825 1.00 0.00 C ATOM 2045 OD1 ASP B 57 11.392 -3.984 -16.465 1.00 0.00 O1- ATOM 2046 OD2 ASP B 57 12.292 -5.287 -17.982 1.00 0.00 O ATOM 0 H ASP B 57 12.850 -4.129 -14.053 1.00 0.00 H new ATOM 0 HA ASP B 57 13.128 -7.059 -14.298 1.00 0.00 H new ATOM 0 HB2 ASP B 57 12.028 -7.162 -16.366 1.00 0.00 H new ATOM 0 HB3 ASP B 57 10.932 -6.280 -15.321 1.00 0.00 H new ATOM 2051 N PRO B 58 14.967 -6.577 -16.213 1.00 0.00 N ATOM 2052 CA PRO B 58 16.254 -6.292 -16.870 1.00 0.00 C ATOM 2053 C PRO B 58 16.261 -4.975 -17.646 1.00 0.00 C ATOM 2054 O PRO B 58 17.293 -4.301 -17.732 1.00 0.00 O ATOM 2055 CB PRO B 58 16.434 -7.469 -17.830 1.00 0.00 C ATOM 2056 CG PRO B 58 15.667 -8.583 -17.209 1.00 0.00 C ATOM 2057 CD PRO B 58 14.497 -7.946 -16.511 1.00 0.00 C ATOM 0 HA PRO B 58 17.053 -6.184 -16.137 1.00 0.00 H new ATOM 0 HB2 PRO B 58 16.053 -7.232 -18.823 1.00 0.00 H new ATOM 0 HB3 PRO B 58 17.486 -7.729 -17.945 1.00 0.00 H new ATOM 0 HG2 PRO B 58 15.331 -9.293 -17.964 1.00 0.00 H new ATOM 0 HG3 PRO B 58 16.287 -9.137 -16.504 1.00 0.00 H new ATOM 0 HD2 PRO B 58 13.610 -7.935 -17.145 1.00 0.00 H new ATOM 0 HD3 PRO B 58 14.232 -8.485 -15.601 1.00 0.00 H new ATOM 2065 N GLY B 59 15.112 -4.608 -18.202 1.00 0.00 N ATOM 2066 CA GLY B 59 15.016 -3.383 -18.968 1.00 0.00 C ATOM 2067 C GLY B 59 15.368 -3.592 -20.427 1.00 0.00 C ATOM 2068 O GLY B 59 16.443 -4.108 -20.739 1.00 0.00 O ATOM 0 H GLY B 59 14.244 -5.140 -18.135 1.00 0.00 H new ATOM 0 HA2 GLY B 59 14.003 -2.988 -18.893 1.00 0.00 H new ATOM 0 HA3 GLY B 59 15.682 -2.635 -18.539 1.00 0.00 H new ATOM 2072 N PRO B 60 14.468 -3.212 -21.346 1.00 0.00 N ATOM 2073 CA PRO B 60 14.688 -3.351 -22.783 1.00 0.00 C ATOM 2074 C PRO B 60 15.729 -2.360 -23.294 1.00 0.00 C ATOM 2075 O PRO B 60 15.358 -1.211 -23.617 1.00 0.00 O ATOM 2076 CB PRO B 60 13.313 -3.054 -23.404 1.00 0.00 C ATOM 2077 CG PRO B 60 12.356 -3.000 -22.260 1.00 0.00 C ATOM 2078 CD PRO B 60 13.163 -2.612 -21.056 1.00 0.00 C ATOM 0 HA PRO B 60 15.070 -4.339 -23.041 1.00 0.00 H new ATOM 0 HB2 PRO B 60 13.325 -2.110 -23.949 1.00 0.00 H new ATOM 0 HB3 PRO B 60 13.029 -3.829 -24.116 1.00 0.00 H new ATOM 0 HG2 PRO B 60 11.565 -2.274 -22.448 1.00 0.00 H new ATOM 0 HG3 PRO B 60 11.874 -3.966 -22.110 1.00 0.00 H new ATOM 0 HD2 PRO B 60 13.229 -1.530 -20.943 1.00 0.00 H new ATOM 0 HD3 PRO B 60 12.732 -3.003 -20.134 1.00 0.00 H new TER 2086 PRO B 60