USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 679 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 70 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 74 MET CE :methyl 163:sc= -1.99 (180deg=-3.83!) USER MOD Set 2.1: A 26 HIS : no HE2:sc= -12.6! C(o=-16!,f=-20!) USER MOD Set 2.2: A 30 HIS : no HD1:sc= -3.05 K(o=-16,f=-15) USER MOD Set 3.1: A 12 MET CE :methyl 151:sc= -1.1 (180deg=-2.02) USER MOD Set 3.2: A 20 GLN : amide:sc= -0.0349 K(o=-1.1,f=-1.7) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00367) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.293 USER MOD Single : A 14 SER OG : rot 120:sc= -0.102 USER MOD Single : A 15 TYR OH : rot 176:sc= -1.97 USER MOD Single : A 21 THR OG1 : rot 92:sc= 1.24 USER MOD Single : A 22 SER OG : rot 148:sc= 1.64 USER MOD Single : A 27 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.14) USER MOD Single : A 28 LYS NZ :NH3+ 164:sc=-0.00961 (180deg=-0.224) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.9 X(o=-0.9,f=-0.4) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 162:sc= -0.0629 (180deg=-0.738) USER MOD Single : A 44 CYS SG : rot 99:sc= -3.57! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -151:sc= -0.0662 (180deg=-0.807) USER MOD Single : A 52 SER OG : rot 180:sc= -0.473 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 175:sc= 0.0622 (180deg=0.0565) USER MOD Single : A 58 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.038) USER MOD Single : A 62 MET CE :methyl -176:sc= -0.538 (180deg=-0.557) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 144:sc= -6.5! (180deg=-8.79!) USER MOD Single : A 75 LYS NZ :NH3+ -113:sc= -1.57 (180deg=-3.66!) USER MOD Single : A 76 THR OG1 : rot -10:sc= 0.709 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.840 -25.735 7.273 1.00 0.00 N ATOM 2 CA GLY A 1 -9.235 -25.757 6.752 1.00 0.00 C ATOM 3 C GLY A 1 -9.407 -24.673 5.688 1.00 0.00 C ATOM 4 O GLY A 1 -10.254 -23.809 5.806 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.728 -26.474 7.996 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.175 -25.911 6.493 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.641 -24.805 7.694 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.459 -26.735 6.327 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.940 -25.595 7.567 1.00 0.00 H new ATOM 10 N LYS A 2 -8.598 -24.741 4.668 1.00 0.00 N ATOM 11 CA LYS A 2 -8.698 -23.727 3.591 1.00 0.00 C ATOM 12 C LYS A 2 -10.041 -23.828 2.869 1.00 0.00 C ATOM 13 O LYS A 2 -10.259 -24.714 2.063 1.00 0.00 O ATOM 14 CB LYS A 2 -7.555 -23.973 2.586 1.00 0.00 C ATOM 15 CG LYS A 2 -6.233 -24.146 3.352 1.00 0.00 C ATOM 16 CD LYS A 2 -6.026 -22.950 4.301 1.00 0.00 C ATOM 17 CE LYS A 2 -4.548 -22.864 4.696 1.00 0.00 C ATOM 18 NZ LYS A 2 -4.317 -21.699 5.593 1.00 0.00 N ATOM 0 H LYS A 2 -7.878 -25.451 4.537 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.621 -22.731 4.027 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -7.763 -24.863 1.992 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -7.479 -23.136 1.892 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -6.249 -25.076 3.921 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.401 -24.215 2.651 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -6.338 -22.026 3.813 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -6.645 -23.066 5.190 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.245 -23.783 5.198 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -3.931 -22.771 3.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.311 -21.654 5.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -4.587 -20.823 5.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -4.891 -21.804 6.454 1.00 0.00 H new ATOM 32 N GLY A 3 -10.916 -22.912 3.178 1.00 0.00 N ATOM 33 CA GLY A 3 -12.260 -22.919 2.530 1.00 0.00 C ATOM 34 C GLY A 3 -13.178 -21.916 3.232 1.00 0.00 C ATOM 35 O GLY A 3 -14.328 -22.203 3.503 1.00 0.00 O ATOM 0 H GLY A 3 -10.761 -22.160 3.849 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -12.166 -22.664 1.474 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -12.693 -23.918 2.579 1.00 0.00 H new ATOM 39 N ASP A 4 -12.645 -20.757 3.509 1.00 0.00 N ATOM 40 CA ASP A 4 -13.455 -19.720 4.190 1.00 0.00 C ATOM 41 C ASP A 4 -14.650 -19.281 3.303 1.00 0.00 C ATOM 42 O ASP A 4 -14.562 -19.334 2.092 1.00 0.00 O ATOM 43 CB ASP A 4 -12.544 -18.504 4.419 1.00 0.00 C ATOM 44 CG ASP A 4 -11.193 -18.982 4.959 1.00 0.00 C ATOM 45 OD1 ASP A 4 -11.223 -19.898 5.764 1.00 0.00 O ATOM 46 OD2 ASP A 4 -10.206 -18.401 4.535 1.00 0.00 O ATOM 0 H ASP A 4 -11.685 -20.488 3.292 1.00 0.00 H new ATOM 0 HA ASP A 4 -13.847 -20.117 5.126 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -12.404 -17.959 3.486 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -13.008 -17.815 5.124 1.00 0.00 H new ATOM 51 N PRO A 5 -15.769 -18.856 3.923 1.00 0.00 N ATOM 52 CA PRO A 5 -16.937 -18.426 3.149 1.00 0.00 C ATOM 53 C PRO A 5 -16.642 -17.105 2.387 1.00 0.00 C ATOM 54 O PRO A 5 -16.994 -16.024 2.827 1.00 0.00 O ATOM 55 CB PRO A 5 -18.064 -18.228 4.219 1.00 0.00 C ATOM 56 CG PRO A 5 -17.359 -18.208 5.611 1.00 0.00 C ATOM 57 CD PRO A 5 -15.945 -18.806 5.398 1.00 0.00 C ATOM 0 HA PRO A 5 -17.220 -19.150 2.385 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -18.604 -17.297 4.045 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -18.794 -19.035 4.166 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -17.296 -17.191 5.999 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -17.922 -18.792 6.339 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -15.180 -18.187 5.866 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -15.866 -19.800 5.839 1.00 0.00 H new ATOM 65 N LYS A 6 -15.980 -17.237 1.260 1.00 0.00 N ATOM 66 CA LYS A 6 -15.640 -16.031 0.441 1.00 0.00 C ATOM 67 C LYS A 6 -15.015 -14.918 1.286 1.00 0.00 C ATOM 68 O LYS A 6 -15.489 -13.799 1.288 1.00 0.00 O ATOM 69 CB LYS A 6 -16.939 -15.499 -0.192 1.00 0.00 C ATOM 70 CG LYS A 6 -17.716 -16.660 -0.834 1.00 0.00 C ATOM 71 CD LYS A 6 -16.783 -17.462 -1.760 1.00 0.00 C ATOM 72 CE LYS A 6 -17.619 -18.301 -2.737 1.00 0.00 C ATOM 73 NZ LYS A 6 -18.063 -17.464 -3.886 1.00 0.00 N ATOM 0 H LYS A 6 -15.662 -18.126 0.874 1.00 0.00 H new ATOM 0 HA LYS A 6 -14.912 -16.324 -0.315 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -17.553 -15.014 0.567 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -16.706 -14.745 -0.944 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -18.122 -17.311 -0.059 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -18.563 -16.274 -1.402 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -16.133 -16.784 -2.312 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -16.138 -18.111 -1.168 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -17.031 -19.145 -3.098 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -18.486 -18.714 -2.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -18.628 -18.043 -4.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -18.641 -16.673 -3.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -17.231 -17.090 -4.385 1.00 0.00 H new ATOM 87 N LYS A 7 -13.962 -15.239 1.982 1.00 0.00 N ATOM 88 CA LYS A 7 -13.312 -14.211 2.819 1.00 0.00 C ATOM 89 C LYS A 7 -12.692 -13.088 1.928 1.00 0.00 C ATOM 90 O LYS A 7 -12.007 -13.388 0.969 1.00 0.00 O ATOM 91 CB LYS A 7 -12.181 -14.892 3.607 1.00 0.00 C ATOM 92 CG LYS A 7 -11.606 -13.904 4.622 1.00 0.00 C ATOM 93 CD LYS A 7 -10.425 -14.560 5.344 1.00 0.00 C ATOM 94 CE LYS A 7 -9.811 -13.560 6.330 1.00 0.00 C ATOM 95 NZ LYS A 7 -8.944 -12.586 5.611 1.00 0.00 N ATOM 0 H LYS A 7 -13.530 -16.163 2.004 1.00 0.00 H new ATOM 0 HA LYS A 7 -14.050 -13.763 3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -12.560 -15.777 4.118 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.399 -15.228 2.926 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -11.281 -12.994 4.118 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.372 -13.614 5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.759 -15.452 5.874 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.675 -14.881 4.621 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.602 -13.030 6.860 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.226 -14.092 7.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.509 -11.936 6.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.198 -13.098 5.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.519 -12.042 4.936 1.00 0.00 H new ATOM 109 N PRO A 8 -12.937 -11.795 2.255 1.00 0.00 N ATOM 110 CA PRO A 8 -12.379 -10.699 1.450 1.00 0.00 C ATOM 111 C PRO A 8 -10.848 -10.715 1.475 1.00 0.00 C ATOM 112 O PRO A 8 -10.240 -11.596 2.050 1.00 0.00 O ATOM 113 CB PRO A 8 -12.920 -9.391 2.112 1.00 0.00 C ATOM 114 CG PRO A 8 -13.676 -9.816 3.413 1.00 0.00 C ATOM 115 CD PRO A 8 -13.761 -11.364 3.407 1.00 0.00 C ATOM 0 HA PRO A 8 -12.669 -10.785 0.403 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -12.101 -8.710 2.346 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -13.589 -8.863 1.432 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -13.147 -9.463 4.298 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -14.673 -9.376 3.440 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.383 -11.782 4.340 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -14.792 -11.701 3.301 1.00 0.00 H new ATOM 123 N ARG A 9 -10.262 -9.731 0.853 1.00 0.00 N ATOM 124 CA ARG A 9 -8.785 -9.662 0.825 1.00 0.00 C ATOM 125 C ARG A 9 -8.226 -9.401 2.199 1.00 0.00 C ATOM 126 O ARG A 9 -7.530 -10.232 2.748 1.00 0.00 O ATOM 127 CB ARG A 9 -8.368 -8.522 -0.120 1.00 0.00 C ATOM 128 CG ARG A 9 -8.659 -8.946 -1.563 1.00 0.00 C ATOM 129 CD ARG A 9 -8.224 -7.832 -2.519 1.00 0.00 C ATOM 130 NE ARG A 9 -8.578 -8.230 -3.911 1.00 0.00 N ATOM 131 CZ ARG A 9 -7.808 -9.063 -4.564 1.00 0.00 C ATOM 132 NH1 ARG A 9 -6.735 -9.528 -3.979 1.00 0.00 N ATOM 133 NH2 ARG A 9 -8.140 -9.406 -5.778 1.00 0.00 N ATOM 0 H ARG A 9 -10.745 -8.976 0.366 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.393 -10.617 0.476 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.915 -7.611 0.123 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.308 -8.300 0.002 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -8.128 -9.869 -1.797 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -9.723 -9.151 -1.686 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.717 -6.896 -2.257 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.151 -7.661 -2.436 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.417 -7.855 -4.353 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -6.508 -9.241 -3.027 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -6.125 -10.178 -4.475 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.987 -9.026 -6.202 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.553 -10.054 -6.303 1.00 0.00 H new ATOM 147 N GLY A 10 -8.541 -8.260 2.750 1.00 0.00 N ATOM 148 CA GLY A 10 -8.013 -7.954 4.109 1.00 0.00 C ATOM 149 C GLY A 10 -8.091 -6.450 4.427 1.00 0.00 C ATOM 150 O GLY A 10 -7.536 -6.004 5.411 1.00 0.00 O ATOM 0 H GLY A 10 -9.128 -7.541 2.329 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.580 -8.513 4.854 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.978 -8.287 4.180 1.00 0.00 H new ATOM 154 N LYS A 11 -8.776 -5.704 3.593 1.00 0.00 N ATOM 155 CA LYS A 11 -8.892 -4.237 3.839 1.00 0.00 C ATOM 156 C LYS A 11 -7.507 -3.598 4.044 1.00 0.00 C ATOM 157 O LYS A 11 -7.279 -2.877 4.997 1.00 0.00 O ATOM 158 CB LYS A 11 -9.753 -4.030 5.111 1.00 0.00 C ATOM 159 CG LYS A 11 -10.355 -2.613 5.095 1.00 0.00 C ATOM 160 CD LYS A 11 -10.711 -2.183 6.527 1.00 0.00 C ATOM 161 CE LYS A 11 -11.814 -3.095 7.067 1.00 0.00 C ATOM 162 NZ LYS A 11 -12.296 -2.602 8.387 1.00 0.00 N ATOM 0 H LYS A 11 -9.255 -6.047 2.760 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.355 -3.761 2.974 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.548 -4.775 5.151 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.142 -4.168 6.003 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.644 -1.911 4.661 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.246 -2.593 4.467 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -9.830 -2.240 7.166 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.044 -1.145 6.536 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.643 -3.131 6.360 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.436 -4.113 7.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.045 -3.232 8.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.506 -2.590 9.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.675 -1.639 8.281 1.00 0.00 H new ATOM 176 N MET A 12 -6.612 -3.864 3.127 1.00 0.00 N ATOM 177 CA MET A 12 -5.243 -3.293 3.241 1.00 0.00 C ATOM 178 C MET A 12 -5.271 -1.770 3.411 1.00 0.00 C ATOM 179 O MET A 12 -6.222 -1.114 3.027 1.00 0.00 O ATOM 180 CB MET A 12 -4.478 -3.630 1.932 1.00 0.00 C ATOM 181 CG MET A 12 -3.792 -4.992 2.073 1.00 0.00 C ATOM 182 SD MET A 12 -3.015 -5.685 0.596 1.00 0.00 S ATOM 183 CE MET A 12 -2.231 -4.158 0.022 1.00 0.00 C ATOM 0 H MET A 12 -6.772 -4.450 2.308 1.00 0.00 H new ATOM 0 HA MET A 12 -4.759 -3.720 4.119 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.169 -3.645 1.089 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.737 -2.858 1.723 1.00 0.00 H new ATOM 0 HG2 MET A 12 -3.029 -4.907 2.847 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.532 -5.707 2.432 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.325 -4.401 -0.533 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.920 -3.617 -0.627 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.976 -3.536 0.880 1.00 0.00 H new ATOM 193 N SER A 13 -4.202 -1.251 3.983 1.00 0.00 N ATOM 194 CA SER A 13 -4.099 0.220 4.208 1.00 0.00 C ATOM 195 C SER A 13 -3.426 0.880 3.009 1.00 0.00 C ATOM 196 O SER A 13 -2.960 0.207 2.115 1.00 0.00 O ATOM 197 CB SER A 13 -3.227 0.457 5.452 1.00 0.00 C ATOM 198 OG SER A 13 -1.980 -0.138 5.123 1.00 0.00 O ATOM 0 H SER A 13 -3.398 -1.792 4.302 1.00 0.00 H new ATOM 0 HA SER A 13 -5.094 0.643 4.344 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.117 1.520 5.664 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.665 -0.001 6.339 1.00 0.00 H new ATOM 0 HG SER A 13 -1.358 -0.028 5.872 1.00 0.00 H new ATOM 204 N SER A 14 -3.370 2.181 3.014 1.00 0.00 N ATOM 205 CA SER A 14 -2.730 2.883 1.875 1.00 0.00 C ATOM 206 C SER A 14 -1.257 2.539 1.785 1.00 0.00 C ATOM 207 O SER A 14 -0.696 2.464 0.709 1.00 0.00 O ATOM 208 CB SER A 14 -2.879 4.398 2.102 1.00 0.00 C ATOM 209 OG SER A 14 -4.135 4.527 2.753 1.00 0.00 O ATOM 0 H SER A 14 -3.737 2.782 3.752 1.00 0.00 H new ATOM 0 HA SER A 14 -3.211 2.575 0.947 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.069 4.791 2.716 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.860 4.946 1.160 1.00 0.00 H new ATOM 0 HG SER A 14 -4.007 4.943 3.631 1.00 0.00 H new ATOM 215 N TYR A 15 -0.656 2.331 2.911 1.00 0.00 N ATOM 216 CA TYR A 15 0.775 1.992 2.907 1.00 0.00 C ATOM 217 C TYR A 15 0.952 0.593 2.379 1.00 0.00 C ATOM 218 O TYR A 15 1.716 0.359 1.464 1.00 0.00 O ATOM 219 CB TYR A 15 1.306 2.052 4.365 1.00 0.00 C ATOM 220 CG TYR A 15 2.678 1.353 4.459 1.00 0.00 C ATOM 221 CD1 TYR A 15 3.638 1.526 3.473 1.00 0.00 C ATOM 222 CD2 TYR A 15 2.959 0.518 5.517 1.00 0.00 C ATOM 223 CE1 TYR A 15 4.840 0.878 3.550 1.00 0.00 C ATOM 224 CE2 TYR A 15 4.170 -0.131 5.588 1.00 0.00 C ATOM 225 CZ TYR A 15 5.114 0.044 4.604 1.00 0.00 C ATOM 226 OH TYR A 15 6.303 -0.616 4.662 1.00 0.00 O ATOM 0 H TYR A 15 -1.095 2.381 3.831 1.00 0.00 H new ATOM 0 HA TYR A 15 1.322 2.694 2.278 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.395 3.090 4.685 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.597 1.571 5.039 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.434 2.178 2.637 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.225 0.372 6.295 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.579 1.024 2.776 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.381 -0.783 6.423 1.00 0.00 H new ATOM 0 HH TYR A 15 6.361 -1.113 5.505 1.00 0.00 H new ATOM 236 N ALA A 16 0.247 -0.314 2.980 1.00 0.00 N ATOM 237 CA ALA A 16 0.343 -1.712 2.545 1.00 0.00 C ATOM 238 C ALA A 16 0.098 -1.829 1.052 1.00 0.00 C ATOM 239 O ALA A 16 0.570 -2.750 0.417 1.00 0.00 O ATOM 240 CB ALA A 16 -0.714 -2.527 3.284 1.00 0.00 C ATOM 0 H ALA A 16 -0.392 -0.140 3.756 1.00 0.00 H new ATOM 0 HA ALA A 16 1.344 -2.084 2.766 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.655 -3.569 2.971 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.540 -2.461 4.358 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.704 -2.134 3.052 1.00 0.00 H new ATOM 246 N PHE A 17 -0.640 -0.890 0.505 1.00 0.00 N ATOM 247 CA PHE A 17 -0.907 -0.955 -0.951 1.00 0.00 C ATOM 248 C PHE A 17 0.360 -0.607 -1.703 1.00 0.00 C ATOM 249 O PHE A 17 0.646 -1.162 -2.744 1.00 0.00 O ATOM 250 CB PHE A 17 -2.044 0.069 -1.292 1.00 0.00 C ATOM 251 CG PHE A 17 -3.310 -0.670 -1.763 1.00 0.00 C ATOM 252 CD1 PHE A 17 -3.456 -1.032 -3.092 1.00 0.00 C ATOM 253 CD2 PHE A 17 -4.338 -0.952 -0.876 1.00 0.00 C ATOM 254 CE1 PHE A 17 -4.608 -1.657 -3.524 1.00 0.00 C ATOM 255 CE2 PHE A 17 -5.487 -1.578 -1.314 1.00 0.00 C ATOM 256 CZ PHE A 17 -5.621 -1.928 -2.635 1.00 0.00 C ATOM 0 H PHE A 17 -1.057 -0.101 0.999 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.223 -1.957 -1.241 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.273 0.673 -0.414 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.704 0.753 -2.070 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.663 -0.824 -3.795 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.239 -0.680 0.164 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.714 -1.934 -4.563 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.283 -1.793 -0.616 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.522 -2.416 -2.976 1.00 0.00 H new ATOM 266 N PHE A 18 1.101 0.292 -1.144 1.00 0.00 N ATOM 267 CA PHE A 18 2.361 0.704 -1.797 1.00 0.00 C ATOM 268 C PHE A 18 3.422 -0.362 -1.572 1.00 0.00 C ATOM 269 O PHE A 18 4.426 -0.385 -2.258 1.00 0.00 O ATOM 270 CB PHE A 18 2.814 2.059 -1.189 1.00 0.00 C ATOM 271 CG PHE A 18 4.331 2.258 -1.359 1.00 0.00 C ATOM 272 CD1 PHE A 18 5.209 1.810 -0.388 1.00 0.00 C ATOM 273 CD2 PHE A 18 4.838 2.897 -2.478 1.00 0.00 C ATOM 274 CE1 PHE A 18 6.567 1.998 -0.535 1.00 0.00 C ATOM 275 CE2 PHE A 18 6.200 3.082 -2.620 1.00 0.00 C ATOM 276 CZ PHE A 18 7.061 2.632 -1.647 1.00 0.00 C ATOM 0 H PHE A 18 0.890 0.761 -0.263 1.00 0.00 H new ATOM 0 HA PHE A 18 2.211 0.821 -2.870 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.280 2.876 -1.673 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.555 2.092 -0.131 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.828 1.310 0.490 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.165 3.253 -3.244 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.245 1.645 0.228 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.588 3.580 -3.496 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.125 2.777 -1.758 1.00 0.00 H new ATOM 286 N VAL A 19 3.181 -1.235 -0.606 1.00 0.00 N ATOM 287 CA VAL A 19 4.166 -2.296 -0.334 1.00 0.00 C ATOM 288 C VAL A 19 4.024 -3.388 -1.333 1.00 0.00 C ATOM 289 O VAL A 19 4.989 -3.823 -1.882 1.00 0.00 O ATOM 290 CB VAL A 19 3.955 -2.865 1.076 1.00 0.00 C ATOM 291 CG1 VAL A 19 4.873 -4.081 1.275 1.00 0.00 C ATOM 292 CG2 VAL A 19 4.365 -1.812 2.072 1.00 0.00 C ATOM 0 H VAL A 19 2.351 -1.242 -0.013 1.00 0.00 H new ATOM 0 HA VAL A 19 5.166 -1.869 -0.403 1.00 0.00 H new ATOM 0 HB VAL A 19 2.912 -3.153 1.208 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.726 -4.488 2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.633 -4.844 0.534 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.913 -3.775 1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.224 -2.193 3.083 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.415 -1.559 1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.753 -0.921 1.932 1.00 0.00 H new ATOM 302 N GLN A 20 2.822 -3.827 -1.565 1.00 0.00 N ATOM 303 CA GLN A 20 2.673 -4.902 -2.550 1.00 0.00 C ATOM 304 C GLN A 20 3.155 -4.397 -3.880 1.00 0.00 C ATOM 305 O GLN A 20 3.523 -5.159 -4.755 1.00 0.00 O ATOM 306 CB GLN A 20 1.200 -5.327 -2.654 1.00 0.00 C ATOM 307 CG GLN A 20 0.333 -4.106 -2.898 1.00 0.00 C ATOM 308 CD GLN A 20 -1.061 -4.558 -3.326 1.00 0.00 C ATOM 309 OE1 GLN A 20 -1.535 -5.608 -2.938 1.00 0.00 O ATOM 310 NE2 GLN A 20 -1.743 -3.802 -4.130 1.00 0.00 N ATOM 0 H GLN A 20 1.965 -3.493 -1.124 1.00 0.00 H new ATOM 0 HA GLN A 20 3.259 -5.768 -2.243 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.074 -6.043 -3.466 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.890 -5.828 -1.737 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.271 -3.503 -1.992 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.778 -3.478 -3.670 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.349 -2.920 -4.458 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.673 -4.089 -4.434 1.00 0.00 H new ATOM 319 N THR A 21 3.146 -3.091 -4.000 1.00 0.00 N ATOM 320 CA THR A 21 3.597 -2.456 -5.253 1.00 0.00 C ATOM 321 C THR A 21 5.100 -2.343 -5.249 1.00 0.00 C ATOM 322 O THR A 21 5.737 -2.473 -6.279 1.00 0.00 O ATOM 323 CB THR A 21 2.984 -1.059 -5.331 1.00 0.00 C ATOM 324 OG1 THR A 21 1.589 -1.260 -5.250 1.00 0.00 O ATOM 325 CG2 THR A 21 3.197 -0.448 -6.712 1.00 0.00 C ATOM 0 H THR A 21 2.842 -2.444 -3.273 1.00 0.00 H new ATOM 0 HA THR A 21 3.287 -3.054 -6.110 1.00 0.00 H new ATOM 0 HB THR A 21 3.417 -0.423 -4.559 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.303 -1.199 -4.315 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.752 0.546 -6.743 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.265 -0.374 -6.916 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.727 -1.079 -7.466 1.00 0.00 H new ATOM 333 N SER A 22 5.651 -2.107 -4.076 1.00 0.00 N ATOM 334 CA SER A 22 7.131 -1.981 -3.965 1.00 0.00 C ATOM 335 C SER A 22 7.744 -3.356 -3.770 1.00 0.00 C ATOM 336 O SER A 22 8.933 -3.519 -3.840 1.00 0.00 O ATOM 337 CB SER A 22 7.457 -1.114 -2.742 1.00 0.00 C ATOM 338 OG SER A 22 7.156 0.210 -3.164 1.00 0.00 O ATOM 0 H SER A 22 5.138 -1.998 -3.201 1.00 0.00 H new ATOM 0 HA SER A 22 7.533 -1.528 -4.871 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.858 -1.403 -1.878 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.503 -1.212 -2.452 1.00 0.00 H new ATOM 0 HG SER A 22 6.841 0.734 -2.398 1.00 0.00 H new ATOM 344 N ARG A 23 6.889 -4.320 -3.527 1.00 0.00 N ATOM 345 CA ARG A 23 7.356 -5.718 -3.317 1.00 0.00 C ATOM 346 C ARG A 23 7.531 -6.423 -4.639 1.00 0.00 C ATOM 347 O ARG A 23 8.480 -7.150 -4.846 1.00 0.00 O ATOM 348 CB ARG A 23 6.274 -6.464 -2.521 1.00 0.00 C ATOM 349 CG ARG A 23 6.702 -7.908 -2.291 1.00 0.00 C ATOM 350 CD ARG A 23 5.793 -8.526 -1.220 1.00 0.00 C ATOM 351 NE ARG A 23 5.964 -10.006 -1.226 1.00 0.00 N ATOM 352 CZ ARG A 23 5.406 -10.715 -2.171 1.00 0.00 C ATOM 353 NH1 ARG A 23 4.709 -10.103 -3.090 1.00 0.00 N ATOM 354 NH2 ARG A 23 5.563 -12.009 -2.166 1.00 0.00 N ATOM 0 H ARG A 23 5.879 -4.192 -3.465 1.00 0.00 H new ATOM 0 HA ARG A 23 8.309 -5.703 -2.789 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.107 -5.968 -1.565 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.329 -6.438 -3.063 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.632 -8.475 -3.219 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.743 -7.947 -1.971 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.042 -8.123 -0.238 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.752 -8.267 -1.416 1.00 0.00 H new ATOM 0 HE ARG A 23 6.513 -10.463 -0.497 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.608 -9.088 -3.062 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.266 -10.639 -3.836 1.00 0.00 H new ATOM 0 HH21 ARG A 23 6.115 -12.453 -1.432 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.134 -12.578 -2.896 1.00 0.00 H new ATOM 368 N GLU A 24 6.604 -6.197 -5.506 1.00 0.00 N ATOM 369 CA GLU A 24 6.670 -6.835 -6.837 1.00 0.00 C ATOM 370 C GLU A 24 7.910 -6.371 -7.584 1.00 0.00 C ATOM 371 O GLU A 24 8.557 -7.144 -8.264 1.00 0.00 O ATOM 372 CB GLU A 24 5.419 -6.411 -7.625 1.00 0.00 C ATOM 373 CG GLU A 24 5.510 -6.935 -9.061 1.00 0.00 C ATOM 374 CD GLU A 24 4.161 -6.730 -9.751 1.00 0.00 C ATOM 375 OE1 GLU A 24 3.238 -7.418 -9.349 1.00 0.00 O ATOM 376 OE2 GLU A 24 4.129 -5.894 -10.637 1.00 0.00 O ATOM 0 H GLU A 24 5.796 -5.594 -5.352 1.00 0.00 H new ATOM 0 HA GLU A 24 6.715 -7.918 -6.727 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.523 -6.801 -7.141 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.331 -5.325 -7.629 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.295 -6.409 -9.605 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.776 -7.992 -9.060 1.00 0.00 H new ATOM 383 N GLU A 25 8.217 -5.113 -7.445 1.00 0.00 N ATOM 384 CA GLU A 25 9.398 -4.572 -8.132 1.00 0.00 C ATOM 385 C GLU A 25 10.690 -5.049 -7.452 1.00 0.00 C ATOM 386 O GLU A 25 11.739 -5.091 -8.067 1.00 0.00 O ATOM 387 CB GLU A 25 9.282 -3.008 -8.112 1.00 0.00 C ATOM 388 CG GLU A 25 10.062 -2.396 -6.925 1.00 0.00 C ATOM 389 CD GLU A 25 11.551 -2.309 -7.276 1.00 0.00 C ATOM 390 OE1 GLU A 25 11.840 -1.622 -8.240 1.00 0.00 O ATOM 391 OE2 GLU A 25 12.314 -2.934 -6.556 1.00 0.00 O ATOM 0 H GLU A 25 7.694 -4.442 -6.882 1.00 0.00 H new ATOM 0 HA GLU A 25 9.439 -4.927 -9.162 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.665 -2.602 -9.048 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.233 -2.721 -8.046 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.674 -1.404 -6.695 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.924 -3.007 -6.033 1.00 0.00 H new ATOM 398 N HIS A 26 10.572 -5.403 -6.193 1.00 0.00 N ATOM 399 CA HIS A 26 11.759 -5.884 -5.430 1.00 0.00 C ATOM 400 C HIS A 26 11.985 -7.378 -5.677 1.00 0.00 C ATOM 401 O HIS A 26 13.096 -7.846 -5.670 1.00 0.00 O ATOM 402 CB HIS A 26 11.461 -5.619 -3.913 1.00 0.00 C ATOM 403 CG HIS A 26 11.946 -6.771 -3.011 1.00 0.00 C ATOM 404 ND1 HIS A 26 12.827 -6.664 -2.139 1.00 0.00 N ATOM 405 CD2 HIS A 26 11.504 -8.079 -2.928 1.00 0.00 C ATOM 406 CE1 HIS A 26 12.992 -7.747 -1.510 1.00 0.00 C ATOM 407 NE2 HIS A 26 12.188 -8.717 -1.945 1.00 0.00 N ATOM 0 H HIS A 26 9.700 -5.378 -5.664 1.00 0.00 H new ATOM 0 HA HIS A 26 12.662 -5.362 -5.747 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.946 -4.692 -3.606 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.389 -5.479 -3.775 1.00 0.00 H new ATOM 0 HD1 HIS A 26 13.351 -5.808 -1.955 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.737 -8.522 -3.547 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.705 -7.873 -0.709 1.00 0.00 H new ATOM 415 N LYS A 27 10.931 -8.089 -5.896 1.00 0.00 N ATOM 416 CA LYS A 27 11.084 -9.536 -6.138 1.00 0.00 C ATOM 417 C LYS A 27 11.943 -9.795 -7.380 1.00 0.00 C ATOM 418 O LYS A 27 12.437 -10.887 -7.580 1.00 0.00 O ATOM 419 CB LYS A 27 9.680 -10.139 -6.353 1.00 0.00 C ATOM 420 CG LYS A 27 9.809 -11.604 -6.794 1.00 0.00 C ATOM 421 CD LYS A 27 8.474 -12.321 -6.568 1.00 0.00 C ATOM 422 CE LYS A 27 8.490 -13.649 -7.318 1.00 0.00 C ATOM 423 NZ LYS A 27 9.546 -14.540 -6.764 1.00 0.00 N ATOM 0 H LYS A 27 9.975 -7.735 -5.918 1.00 0.00 H new ATOM 0 HA LYS A 27 11.578 -9.995 -5.281 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.101 -10.076 -5.431 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.140 -9.568 -7.108 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.089 -11.656 -7.846 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.600 -12.097 -6.229 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.314 -12.492 -5.503 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.649 -11.701 -6.919 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.517 -14.133 -7.237 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.671 -13.474 -8.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.418 -15.503 -7.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.482 -14.183 -7.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.476 -14.558 -5.726 1.00 0.00 H new ATOM 437 N LYS A 28 12.117 -8.777 -8.183 1.00 0.00 N ATOM 438 CA LYS A 28 12.938 -8.949 -9.417 1.00 0.00 C ATOM 439 C LYS A 28 14.443 -8.989 -9.128 1.00 0.00 C ATOM 440 O LYS A 28 15.223 -9.270 -10.017 1.00 0.00 O ATOM 441 CB LYS A 28 12.644 -7.770 -10.366 1.00 0.00 C ATOM 442 CG LYS A 28 11.173 -7.839 -10.827 1.00 0.00 C ATOM 443 CD LYS A 28 11.002 -7.029 -12.119 1.00 0.00 C ATOM 444 CE LYS A 28 9.540 -7.102 -12.561 1.00 0.00 C ATOM 445 NZ LYS A 28 8.674 -6.328 -11.626 1.00 0.00 N ATOM 0 H LYS A 28 11.731 -7.844 -8.040 1.00 0.00 H new ATOM 0 HA LYS A 28 12.668 -9.905 -9.865 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.834 -6.824 -9.859 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.309 -7.808 -11.229 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.882 -8.876 -10.994 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.518 -7.445 -10.049 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.295 -5.992 -11.955 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.652 -7.424 -12.900 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.439 -6.706 -13.572 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.214 -8.142 -12.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.749 -6.157 -12.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.541 -6.869 -10.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.127 -5.418 -11.407 1.00 0.00 H new ATOM 459 N LYS A 29 14.838 -8.700 -7.907 1.00 0.00 N ATOM 460 CA LYS A 29 16.305 -8.735 -7.604 1.00 0.00 C ATOM 461 C LYS A 29 16.588 -8.800 -6.095 1.00 0.00 C ATOM 462 O LYS A 29 17.433 -8.083 -5.594 1.00 0.00 O ATOM 463 CB LYS A 29 16.981 -7.474 -8.216 1.00 0.00 C ATOM 464 CG LYS A 29 16.334 -6.187 -7.660 1.00 0.00 C ATOM 465 CD LYS A 29 16.549 -5.034 -8.660 1.00 0.00 C ATOM 466 CE LYS A 29 16.244 -3.695 -7.978 1.00 0.00 C ATOM 467 NZ LYS A 29 16.638 -2.561 -8.862 1.00 0.00 N ATOM 0 H LYS A 29 14.228 -8.449 -7.129 1.00 0.00 H new ATOM 0 HA LYS A 29 16.718 -9.641 -8.047 1.00 0.00 H new ATOM 0 HB2 LYS A 29 18.047 -7.479 -7.988 1.00 0.00 H new ATOM 0 HB3 LYS A 29 16.887 -7.495 -9.302 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.268 -6.345 -7.493 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.773 -5.933 -6.695 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.576 -5.042 -9.024 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.903 -5.167 -9.528 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.181 -3.631 -7.746 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.781 -3.631 -7.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 16.426 -1.661 -8.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 17.657 -2.615 -9.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 16.106 -2.615 -9.754 1.00 0.00 H new ATOM 481 N HIS A 30 15.870 -9.680 -5.409 1.00 0.00 N ATOM 482 CA HIS A 30 16.066 -9.832 -3.924 1.00 0.00 C ATOM 483 C HIS A 30 15.773 -11.297 -3.479 1.00 0.00 C ATOM 484 O HIS A 30 14.781 -11.566 -2.825 1.00 0.00 O ATOM 485 CB HIS A 30 15.067 -8.899 -3.191 1.00 0.00 C ATOM 486 CG HIS A 30 15.565 -7.451 -3.193 1.00 0.00 C ATOM 487 ND1 HIS A 30 16.000 -6.848 -2.188 1.00 0.00 N ATOM 488 CD2 HIS A 30 15.578 -6.524 -4.209 1.00 0.00 C ATOM 489 CE1 HIS A 30 16.284 -5.643 -2.452 1.00 0.00 C ATOM 490 NE2 HIS A 30 16.049 -5.338 -3.728 1.00 0.00 N ATOM 0 H HIS A 30 15.163 -10.293 -5.815 1.00 0.00 H new ATOM 0 HA HIS A 30 17.097 -9.578 -3.679 1.00 0.00 H new ATOM 0 HB2 HIS A 30 14.092 -8.953 -3.675 1.00 0.00 H new ATOM 0 HB3 HIS A 30 14.932 -9.239 -2.164 1.00 0.00 H new ATOM 0 HD2 HIS A 30 15.265 -6.706 -5.226 1.00 0.00 H new ATOM 0 HE1 HIS A 30 16.672 -4.943 -1.727 1.00 0.00 H new ATOM 0 HE2 HIS A 30 16.185 -4.452 -4.215 1.00 0.00 H new ATOM 498 N PRO A 31 16.641 -12.223 -3.861 1.00 0.00 N ATOM 499 CA PRO A 31 16.458 -13.632 -3.496 1.00 0.00 C ATOM 500 C PRO A 31 16.910 -13.914 -2.051 1.00 0.00 C ATOM 501 O PRO A 31 16.305 -14.703 -1.350 1.00 0.00 O ATOM 502 CB PRO A 31 17.367 -14.410 -4.500 1.00 0.00 C ATOM 503 CG PRO A 31 18.296 -13.347 -5.188 1.00 0.00 C ATOM 504 CD PRO A 31 17.807 -11.946 -4.721 1.00 0.00 C ATOM 0 HA PRO A 31 15.409 -13.925 -3.545 1.00 0.00 H new ATOM 0 HB2 PRO A 31 17.960 -15.163 -3.981 1.00 0.00 H new ATOM 0 HB3 PRO A 31 16.764 -14.934 -5.241 1.00 0.00 H new ATOM 0 HG2 PRO A 31 19.337 -13.505 -4.907 1.00 0.00 H new ATOM 0 HG3 PRO A 31 18.242 -13.432 -6.273 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.587 -11.417 -4.173 1.00 0.00 H new ATOM 0 HD3 PRO A 31 17.533 -11.319 -5.570 1.00 0.00 H new ATOM 512 N ASP A 32 17.958 -13.259 -1.652 1.00 0.00 N ATOM 513 CA ASP A 32 18.491 -13.457 -0.268 1.00 0.00 C ATOM 514 C ASP A 32 17.757 -12.608 0.765 1.00 0.00 C ATOM 515 O ASP A 32 18.067 -12.665 1.940 1.00 0.00 O ATOM 516 CB ASP A 32 19.965 -13.039 -0.274 1.00 0.00 C ATOM 517 CG ASP A 32 20.656 -13.677 -1.478 1.00 0.00 C ATOM 518 OD1 ASP A 32 20.793 -14.890 -1.443 1.00 0.00 O ATOM 519 OD2 ASP A 32 21.006 -12.920 -2.367 1.00 0.00 O ATOM 0 H ASP A 32 18.476 -12.590 -2.222 1.00 0.00 H new ATOM 0 HA ASP A 32 18.355 -14.503 0.006 1.00 0.00 H new ATOM 0 HB2 ASP A 32 20.049 -11.953 -0.323 1.00 0.00 H new ATOM 0 HB3 ASP A 32 20.450 -13.355 0.650 1.00 0.00 H new ATOM 524 N ALA A 33 16.800 -11.837 0.320 1.00 0.00 N ATOM 525 CA ALA A 33 16.043 -10.982 1.268 1.00 0.00 C ATOM 526 C ALA A 33 14.957 -11.764 1.994 1.00 0.00 C ATOM 527 O ALA A 33 14.540 -11.375 3.067 1.00 0.00 O ATOM 528 CB ALA A 33 15.373 -9.865 0.469 1.00 0.00 C ATOM 0 H ALA A 33 16.514 -11.765 -0.656 1.00 0.00 H new ATOM 0 HA ALA A 33 16.739 -10.593 2.011 1.00 0.00 H new ATOM 0 HB1 ALA A 33 14.809 -9.222 1.145 1.00 0.00 H new ATOM 0 HB2 ALA A 33 16.135 -9.276 -0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.696 -10.299 -0.267 1.00 0.00 H new ATOM 534 N SER A 34 14.523 -12.853 1.395 1.00 0.00 N ATOM 535 CA SER A 34 13.455 -13.684 2.033 1.00 0.00 C ATOM 536 C SER A 34 12.290 -12.819 2.462 1.00 0.00 C ATOM 537 O SER A 34 12.063 -12.603 3.635 1.00 0.00 O ATOM 538 CB SER A 34 14.028 -14.376 3.267 1.00 0.00 C ATOM 539 OG SER A 34 15.179 -15.056 2.781 1.00 0.00 O ATOM 0 H SER A 34 14.862 -13.198 0.497 1.00 0.00 H new ATOM 0 HA SER A 34 13.107 -14.419 1.307 1.00 0.00 H new ATOM 0 HB2 SER A 34 14.288 -13.656 4.043 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.310 -15.070 3.704 1.00 0.00 H new ATOM 0 HG SER A 34 15.614 -15.532 3.519 1.00 0.00 H new ATOM 545 N VAL A 35 11.571 -12.348 1.508 1.00 0.00 N ATOM 546 CA VAL A 35 10.426 -11.498 1.826 1.00 0.00 C ATOM 547 C VAL A 35 9.381 -12.204 2.691 1.00 0.00 C ATOM 548 O VAL A 35 8.536 -12.919 2.184 1.00 0.00 O ATOM 549 CB VAL A 35 9.766 -11.084 0.518 1.00 0.00 C ATOM 550 CG1 VAL A 35 8.638 -10.121 0.833 1.00 0.00 C ATOM 551 CG2 VAL A 35 10.793 -10.385 -0.374 1.00 0.00 C ATOM 0 H VAL A 35 11.730 -12.517 0.515 1.00 0.00 H new ATOM 0 HA VAL A 35 10.795 -10.643 2.392 1.00 0.00 H new ATOM 0 HB VAL A 35 9.380 -11.962 0.000 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.153 -9.813 -0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.910 -10.612 1.478 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.039 -9.244 1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.320 -10.089 -1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.175 -9.500 0.135 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.617 -11.067 -0.584 1.00 0.00 H new ATOM 561 N ASN A 36 9.465 -11.976 3.985 1.00 0.00 N ATOM 562 CA ASN A 36 8.496 -12.606 4.935 1.00 0.00 C ATOM 563 C ASN A 36 7.347 -11.637 5.172 1.00 0.00 C ATOM 564 O ASN A 36 6.532 -11.820 6.054 1.00 0.00 O ATOM 565 CB ASN A 36 9.218 -12.849 6.268 1.00 0.00 C ATOM 566 CG ASN A 36 10.156 -14.045 6.122 1.00 0.00 C ATOM 567 OD1 ASN A 36 9.758 -15.183 6.270 1.00 0.00 O ATOM 568 ND2 ASN A 36 11.410 -13.834 5.829 1.00 0.00 N ATOM 0 H ASN A 36 10.167 -11.378 4.421 1.00 0.00 H new ATOM 0 HA ASN A 36 8.118 -13.544 4.529 1.00 0.00 H new ATOM 0 HB2 ASN A 36 9.783 -11.962 6.556 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.492 -13.036 7.059 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.049 -14.622 5.726 1.00 0.00 H new ATOM 0 HD22 ASN A 36 11.751 -12.881 5.703 1.00 0.00 H new ATOM 575 N PHE A 37 7.322 -10.618 4.358 1.00 0.00 N ATOM 576 CA PHE A 37 6.263 -9.586 4.467 1.00 0.00 C ATOM 577 C PHE A 37 6.235 -8.992 5.881 1.00 0.00 C ATOM 578 O PHE A 37 5.202 -8.604 6.398 1.00 0.00 O ATOM 579 CB PHE A 37 4.881 -10.220 4.072 1.00 0.00 C ATOM 580 CG PHE A 37 4.226 -9.333 2.996 1.00 0.00 C ATOM 581 CD1 PHE A 37 4.053 -7.975 3.222 1.00 0.00 C ATOM 582 CD2 PHE A 37 3.886 -9.852 1.759 1.00 0.00 C ATOM 583 CE1 PHE A 37 3.558 -7.159 2.231 1.00 0.00 C ATOM 584 CE2 PHE A 37 3.393 -9.027 0.766 1.00 0.00 C ATOM 585 CZ PHE A 37 3.232 -7.681 1.004 1.00 0.00 C ATOM 0 H PHE A 37 8.001 -10.458 3.614 1.00 0.00 H new ATOM 0 HA PHE A 37 6.474 -8.766 3.780 1.00 0.00 H new ATOM 0 HB2 PHE A 37 5.023 -11.232 3.693 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.235 -10.294 4.946 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.309 -7.555 4.184 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.007 -10.908 1.569 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.425 -6.104 2.419 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.134 -9.439 -0.198 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.850 -7.036 0.226 1.00 0.00 H new ATOM 595 N SER A 38 7.407 -8.921 6.454 1.00 0.00 N ATOM 596 CA SER A 38 7.571 -8.370 7.824 1.00 0.00 C ATOM 597 C SER A 38 8.922 -7.695 7.897 1.00 0.00 C ATOM 598 O SER A 38 9.051 -6.597 8.403 1.00 0.00 O ATOM 599 CB SER A 38 7.522 -9.526 8.836 1.00 0.00 C ATOM 600 OG SER A 38 7.920 -8.931 10.062 1.00 0.00 O ATOM 0 H SER A 38 8.275 -9.230 6.017 1.00 0.00 H new ATOM 0 HA SER A 38 6.779 -7.657 8.051 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.521 -9.952 8.906 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.193 -10.335 8.549 1.00 0.00 H new ATOM 0 HG SER A 38 7.915 -9.608 10.771 1.00 0.00 H new ATOM 606 N GLU A 39 9.911 -8.378 7.368 1.00 0.00 N ATOM 607 CA GLU A 39 11.287 -7.829 7.367 1.00 0.00 C ATOM 608 C GLU A 39 11.466 -6.951 6.145 1.00 0.00 C ATOM 609 O GLU A 39 12.281 -6.051 6.124 1.00 0.00 O ATOM 610 CB GLU A 39 12.275 -9.003 7.284 1.00 0.00 C ATOM 611 CG GLU A 39 12.150 -9.854 8.552 1.00 0.00 C ATOM 612 CD GLU A 39 13.170 -10.994 8.502 1.00 0.00 C ATOM 613 OE1 GLU A 39 14.332 -10.690 8.715 1.00 0.00 O ATOM 614 OE2 GLU A 39 12.729 -12.106 8.256 1.00 0.00 O ATOM 0 H GLU A 39 9.814 -9.297 6.937 1.00 0.00 H new ATOM 0 HA GLU A 39 11.463 -7.246 8.271 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.066 -9.609 6.402 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.294 -8.630 7.180 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.320 -9.238 9.435 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.141 -10.258 8.634 1.00 0.00 H new ATOM 621 N PHE A 40 10.678 -7.244 5.144 1.00 0.00 N ATOM 622 CA PHE A 40 10.741 -6.473 3.891 1.00 0.00 C ATOM 623 C PHE A 40 9.957 -5.168 4.037 1.00 0.00 C ATOM 624 O PHE A 40 10.414 -4.128 3.629 1.00 0.00 O ATOM 625 CB PHE A 40 10.114 -7.327 2.779 1.00 0.00 C ATOM 626 CG PHE A 40 9.955 -6.478 1.522 1.00 0.00 C ATOM 627 CD1 PHE A 40 11.059 -6.083 0.791 1.00 0.00 C ATOM 628 CD2 PHE A 40 8.705 -6.045 1.133 1.00 0.00 C ATOM 629 CE1 PHE A 40 10.908 -5.268 -0.300 1.00 0.00 C ATOM 630 CE2 PHE A 40 8.563 -5.235 0.045 1.00 0.00 C ATOM 631 CZ PHE A 40 9.661 -4.845 -0.674 1.00 0.00 C ATOM 0 H PHE A 40 9.989 -7.996 5.152 1.00 0.00 H new ATOM 0 HA PHE A 40 11.776 -6.230 3.652 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.743 -8.192 2.570 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.144 -7.708 3.100 1.00 0.00 H new ATOM 0 HD1 PHE A 40 12.044 -6.418 1.081 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.833 -6.349 1.693 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.774 -4.959 -0.866 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.580 -4.900 -0.251 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.543 -4.204 -1.535 1.00 0.00 H new ATOM 641 N SER A 41 8.758 -5.269 4.557 1.00 0.00 N ATOM 642 CA SER A 41 7.935 -4.049 4.741 1.00 0.00 C ATOM 643 C SER A 41 8.719 -3.023 5.527 1.00 0.00 C ATOM 644 O SER A 41 8.488 -1.860 5.406 1.00 0.00 O ATOM 645 CB SER A 41 6.664 -4.423 5.525 1.00 0.00 C ATOM 646 OG SER A 41 7.139 -5.214 6.601 1.00 0.00 O ATOM 0 H SER A 41 8.322 -6.141 4.858 1.00 0.00 H new ATOM 0 HA SER A 41 7.669 -3.634 3.769 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.142 -3.536 5.883 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.961 -4.977 4.903 1.00 0.00 H new ATOM 0 HG SER A 41 6.384 -5.496 7.158 1.00 0.00 H new ATOM 652 N LYS A 42 9.626 -3.474 6.343 1.00 0.00 N ATOM 653 CA LYS A 42 10.413 -2.507 7.122 1.00 0.00 C ATOM 654 C LYS A 42 11.125 -1.583 6.146 1.00 0.00 C ATOM 655 O LYS A 42 11.348 -0.415 6.409 1.00 0.00 O ATOM 656 CB LYS A 42 11.449 -3.289 7.939 1.00 0.00 C ATOM 657 CG LYS A 42 12.081 -2.363 8.981 1.00 0.00 C ATOM 658 CD LYS A 42 13.305 -3.056 9.600 1.00 0.00 C ATOM 659 CE LYS A 42 12.904 -4.448 10.115 1.00 0.00 C ATOM 660 NZ LYS A 42 13.880 -4.931 11.126 1.00 0.00 N ATOM 0 H LYS A 42 9.849 -4.457 6.498 1.00 0.00 H new ATOM 0 HA LYS A 42 9.778 -1.923 7.788 1.00 0.00 H new ATOM 0 HB2 LYS A 42 10.974 -4.138 8.431 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.218 -3.692 7.280 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.377 -1.423 8.517 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.355 -2.120 9.757 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.098 -3.146 8.858 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.701 -2.455 10.418 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.907 -4.406 10.554 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.856 -5.150 9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.594 -5.872 11.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 14.825 -4.990 10.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 13.905 -4.269 11.928 1.00 0.00 H new ATOM 674 N LYS A 43 11.450 -2.152 5.018 1.00 0.00 N ATOM 675 CA LYS A 43 12.138 -1.410 3.963 1.00 0.00 C ATOM 676 C LYS A 43 11.161 -0.476 3.223 1.00 0.00 C ATOM 677 O LYS A 43 11.403 0.712 3.109 1.00 0.00 O ATOM 678 CB LYS A 43 12.695 -2.470 2.979 1.00 0.00 C ATOM 679 CG LYS A 43 14.023 -2.005 2.356 1.00 0.00 C ATOM 680 CD LYS A 43 14.719 -3.227 1.745 1.00 0.00 C ATOM 681 CE LYS A 43 15.821 -2.764 0.784 1.00 0.00 C ATOM 682 NZ LYS A 43 16.433 -1.492 1.264 1.00 0.00 N ATOM 0 H LYS A 43 11.255 -3.127 4.792 1.00 0.00 H new ATOM 0 HA LYS A 43 12.930 -0.788 4.381 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.847 -3.413 3.504 1.00 0.00 H new ATOM 0 HB3 LYS A 43 11.966 -2.657 2.191 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.840 -1.250 1.592 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.658 -1.545 3.113 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.147 -3.847 2.533 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.994 -3.843 1.213 1.00 0.00 H new ATOM 0 HE2 LYS A 43 16.587 -3.535 0.702 1.00 0.00 H new ATOM 0 HE3 LYS A 43 15.405 -2.621 -0.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 17.352 -1.351 0.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 15.804 -0.696 1.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 16.571 -1.540 2.294 1.00 0.00 H new ATOM 696 N CYS A 44 10.066 -1.032 2.735 1.00 0.00 N ATOM 697 CA CYS A 44 9.095 -0.194 2.018 1.00 0.00 C ATOM 698 C CYS A 44 8.618 0.937 2.905 1.00 0.00 C ATOM 699 O CYS A 44 8.359 2.030 2.447 1.00 0.00 O ATOM 700 CB CYS A 44 7.921 -1.065 1.644 1.00 0.00 C ATOM 701 SG CYS A 44 8.198 -2.331 0.384 1.00 0.00 S ATOM 0 H CYS A 44 9.824 -2.020 2.812 1.00 0.00 H new ATOM 0 HA CYS A 44 9.559 0.237 1.131 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.567 -1.560 2.548 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.116 -0.416 1.299 1.00 0.00 H new ATOM 0 HG CYS A 44 8.399 -3.479 0.959 1.00 0.00 H new ATOM 707 N SER A 45 8.498 0.641 4.159 1.00 0.00 N ATOM 708 CA SER A 45 8.040 1.679 5.115 1.00 0.00 C ATOM 709 C SER A 45 8.957 2.880 5.025 1.00 0.00 C ATOM 710 O SER A 45 8.511 4.004 4.918 1.00 0.00 O ATOM 711 CB SER A 45 8.111 1.106 6.544 1.00 0.00 C ATOM 712 OG SER A 45 8.011 2.248 7.384 1.00 0.00 O ATOM 0 H SER A 45 8.696 -0.273 4.567 1.00 0.00 H new ATOM 0 HA SER A 45 7.018 1.975 4.877 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.300 0.402 6.731 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.045 0.569 6.712 1.00 0.00 H new ATOM 0 HG SER A 45 8.047 1.968 8.322 1.00 0.00 H new ATOM 718 N GLU A 46 10.234 2.615 5.067 1.00 0.00 N ATOM 719 CA GLU A 46 11.206 3.722 4.984 1.00 0.00 C ATOM 720 C GLU A 46 11.114 4.393 3.615 1.00 0.00 C ATOM 721 O GLU A 46 11.643 5.468 3.413 1.00 0.00 O ATOM 722 CB GLU A 46 12.626 3.130 5.178 1.00 0.00 C ATOM 723 CG GLU A 46 13.572 4.220 5.695 1.00 0.00 C ATOM 724 CD GLU A 46 15.020 3.747 5.543 1.00 0.00 C ATOM 725 OE1 GLU A 46 15.477 3.097 6.470 1.00 0.00 O ATOM 726 OE2 GLU A 46 15.588 4.063 4.510 1.00 0.00 O ATOM 0 H GLU A 46 10.637 1.682 5.155 1.00 0.00 H new ATOM 0 HA GLU A 46 10.995 4.466 5.752 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.591 2.300 5.884 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.997 2.731 4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.419 5.144 5.138 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.357 4.438 6.741 1.00 0.00 H new ATOM 733 N ARG A 47 10.429 3.716 2.699 1.00 0.00 N ATOM 734 CA ARG A 47 10.250 4.244 1.308 1.00 0.00 C ATOM 735 C ARG A 47 8.855 4.864 1.117 1.00 0.00 C ATOM 736 O ARG A 47 8.599 5.514 0.120 1.00 0.00 O ATOM 737 CB ARG A 47 10.410 3.050 0.334 1.00 0.00 C ATOM 738 CG ARG A 47 10.886 3.555 -1.038 1.00 0.00 C ATOM 739 CD ARG A 47 11.272 2.355 -1.901 1.00 0.00 C ATOM 740 NE ARG A 47 12.318 1.569 -1.187 1.00 0.00 N ATOM 741 CZ ARG A 47 12.558 0.340 -1.547 1.00 0.00 C ATOM 742 NH1 ARG A 47 11.873 -0.173 -2.532 1.00 0.00 N ATOM 743 NH2 ARG A 47 13.471 -0.338 -0.905 1.00 0.00 N ATOM 0 H ARG A 47 9.987 2.813 2.869 1.00 0.00 H new ATOM 0 HA ARG A 47 10.989 5.022 1.118 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.127 2.334 0.737 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.460 2.525 0.229 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.097 4.129 -1.523 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.739 4.223 -0.918 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.398 1.733 -2.095 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.646 2.690 -2.868 1.00 0.00 H new ATOM 0 HE ARG A 47 12.843 1.991 -0.421 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.164 0.386 -3.006 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.047 -1.133 -2.828 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.982 0.096 -0.136 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.673 -1.301 -1.172 1.00 0.00 H new ATOM 757 N TRP A 48 7.990 4.637 2.089 1.00 0.00 N ATOM 758 CA TRP A 48 6.586 5.184 2.035 1.00 0.00 C ATOM 759 C TRP A 48 6.444 6.412 2.938 1.00 0.00 C ATOM 760 O TRP A 48 6.118 7.486 2.482 1.00 0.00 O ATOM 761 CB TRP A 48 5.664 4.043 2.531 1.00 0.00 C ATOM 762 CG TRP A 48 4.331 4.575 3.085 1.00 0.00 C ATOM 763 CD1 TRP A 48 4.115 4.792 4.361 1.00 0.00 C ATOM 764 CD2 TRP A 48 3.227 4.723 2.390 1.00 0.00 C ATOM 765 NE1 TRP A 48 2.802 5.067 4.426 1.00 0.00 N ATOM 766 CE2 TRP A 48 2.162 5.043 3.211 1.00 0.00 C ATOM 767 CE3 TRP A 48 3.027 4.587 1.039 1.00 0.00 C ATOM 768 CZ2 TRP A 48 0.903 5.214 2.686 1.00 0.00 C ATOM 769 CZ3 TRP A 48 1.754 4.765 0.510 1.00 0.00 C ATOM 770 CH2 TRP A 48 0.696 5.076 1.339 1.00 0.00 C ATOM 0 H TRP A 48 8.200 4.091 2.925 1.00 0.00 H new ATOM 0 HA TRP A 48 6.327 5.502 1.025 1.00 0.00 H new ATOM 0 HB2 TRP A 48 5.466 3.355 1.709 1.00 0.00 H new ATOM 0 HB3 TRP A 48 6.177 3.474 3.306 1.00 0.00 H new ATOM 0 HD1 TRP A 48 4.828 4.757 5.171 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.322 5.276 5.301 1.00 0.00 H new ATOM 0 HE3 TRP A 48 3.855 4.343 0.390 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 0.076 5.457 3.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.593 4.660 -0.553 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.293 5.210 0.927 1.00 0.00 H new ATOM 781 N LYS A 49 6.689 6.213 4.197 1.00 0.00 N ATOM 782 CA LYS A 49 6.581 7.353 5.184 1.00 0.00 C ATOM 783 C LYS A 49 7.352 8.591 4.708 1.00 0.00 C ATOM 784 O LYS A 49 7.176 9.675 5.228 1.00 0.00 O ATOM 785 CB LYS A 49 7.226 6.912 6.522 1.00 0.00 C ATOM 786 CG LYS A 49 6.486 5.708 7.105 1.00 0.00 C ATOM 787 CD LYS A 49 6.980 5.470 8.538 1.00 0.00 C ATOM 788 CE LYS A 49 6.167 4.342 9.182 1.00 0.00 C ATOM 789 NZ LYS A 49 6.882 3.805 10.373 1.00 0.00 N ATOM 0 H LYS A 49 6.960 5.316 4.600 1.00 0.00 H new ATOM 0 HA LYS A 49 5.525 7.600 5.290 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.274 6.658 6.361 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.204 7.738 7.232 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.411 5.888 7.101 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.663 4.824 6.493 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.038 5.210 8.530 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.881 6.384 9.124 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.185 4.714 9.476 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.002 3.544 8.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.320 3.041 10.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.809 3.433 10.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.017 4.566 11.069 1.00 0.00 H new ATOM 803 N THR A 50 8.181 8.391 3.726 1.00 0.00 N ATOM 804 CA THR A 50 8.997 9.508 3.170 1.00 0.00 C ATOM 805 C THR A 50 8.267 10.307 2.092 1.00 0.00 C ATOM 806 O THR A 50 8.455 11.503 1.977 1.00 0.00 O ATOM 807 CB THR A 50 10.238 8.865 2.544 1.00 0.00 C ATOM 808 OG1 THR A 50 10.665 9.727 1.502 1.00 0.00 O ATOM 809 CG2 THR A 50 9.835 7.567 1.843 1.00 0.00 C ATOM 0 H THR A 50 8.332 7.488 3.276 1.00 0.00 H new ATOM 0 HA THR A 50 9.230 10.207 3.973 1.00 0.00 H new ATOM 0 HB THR A 50 10.993 8.690 3.310 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.462 9.352 1.073 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.716 7.106 1.396 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.396 6.882 2.569 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.105 7.786 1.064 1.00 0.00 H new ATOM 817 N MET A 51 7.477 9.640 1.316 1.00 0.00 N ATOM 818 CA MET A 51 6.741 10.353 0.247 1.00 0.00 C ATOM 819 C MET A 51 5.835 11.442 0.815 1.00 0.00 C ATOM 820 O MET A 51 5.795 11.657 2.014 1.00 0.00 O ATOM 821 CB MET A 51 5.893 9.330 -0.531 1.00 0.00 C ATOM 822 CG MET A 51 6.798 8.194 -1.021 1.00 0.00 C ATOM 823 SD MET A 51 6.123 7.072 -2.272 1.00 0.00 S ATOM 824 CE MET A 51 4.631 6.590 -1.370 1.00 0.00 C ATOM 0 H MET A 51 7.307 8.636 1.373 1.00 0.00 H new ATOM 0 HA MET A 51 7.464 10.836 -0.411 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.104 8.933 0.108 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.405 9.813 -1.377 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.709 8.638 -1.423 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.089 7.598 -0.156 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.337 5.583 -1.666 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.831 6.610 -0.299 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.825 7.286 -1.602 1.00 0.00 H new ATOM 834 N SER A 52 5.119 12.113 -0.080 1.00 0.00 N ATOM 835 CA SER A 52 4.183 13.216 0.343 1.00 0.00 C ATOM 836 C SER A 52 2.741 12.804 0.122 1.00 0.00 C ATOM 837 O SER A 52 2.473 11.868 -0.602 1.00 0.00 O ATOM 838 CB SER A 52 4.471 14.443 -0.539 1.00 0.00 C ATOM 839 OG SER A 52 3.378 15.314 -0.292 1.00 0.00 O ATOM 0 H SER A 52 5.147 11.939 -1.085 1.00 0.00 H new ATOM 0 HA SER A 52 4.334 13.434 1.400 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.420 14.910 -0.274 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.533 14.170 -1.593 1.00 0.00 H new ATOM 0 HG SER A 52 3.486 16.132 -0.821 1.00 0.00 H new ATOM 845 N ALA A 53 1.834 13.504 0.770 1.00 0.00 N ATOM 846 CA ALA A 53 0.395 13.175 0.614 1.00 0.00 C ATOM 847 C ALA A 53 0.025 13.055 -0.846 1.00 0.00 C ATOM 848 O ALA A 53 -0.956 12.434 -1.193 1.00 0.00 O ATOM 849 CB ALA A 53 -0.431 14.295 1.229 1.00 0.00 C ATOM 0 H ALA A 53 2.037 14.284 1.395 1.00 0.00 H new ATOM 0 HA ALA A 53 0.198 12.224 1.109 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.491 14.066 1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.186 14.389 2.287 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.209 15.233 0.720 1.00 0.00 H new ATOM 855 N LYS A 54 0.812 13.665 -1.682 1.00 0.00 N ATOM 856 CA LYS A 54 0.520 13.592 -3.120 1.00 0.00 C ATOM 857 C LYS A 54 0.485 12.142 -3.558 1.00 0.00 C ATOM 858 O LYS A 54 -0.543 11.629 -3.973 1.00 0.00 O ATOM 859 CB LYS A 54 1.646 14.309 -3.881 1.00 0.00 C ATOM 860 CG LYS A 54 1.710 15.781 -3.436 1.00 0.00 C ATOM 861 CD LYS A 54 3.084 16.360 -3.792 1.00 0.00 C ATOM 862 CE LYS A 54 3.356 16.139 -5.283 1.00 0.00 C ATOM 863 NZ LYS A 54 4.486 16.995 -5.737 1.00 0.00 N ATOM 0 H LYS A 54 1.638 14.206 -1.426 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.443 14.059 -3.326 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.600 13.818 -3.688 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.469 14.250 -4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.923 16.355 -3.925 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.538 15.856 -2.362 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.114 17.424 -3.559 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.859 15.881 -3.194 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.590 15.090 -5.465 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.461 16.371 -5.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.658 16.834 -6.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.248 17.995 -5.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.342 16.755 -5.198 1.00 0.00 H new ATOM 877 N GLU A 55 1.608 11.489 -3.436 1.00 0.00 N ATOM 878 CA GLU A 55 1.660 10.075 -3.835 1.00 0.00 C ATOM 879 C GLU A 55 0.874 9.216 -2.862 1.00 0.00 C ATOM 880 O GLU A 55 0.148 8.329 -3.264 1.00 0.00 O ATOM 881 CB GLU A 55 3.125 9.621 -3.823 1.00 0.00 C ATOM 882 CG GLU A 55 3.950 10.584 -4.674 1.00 0.00 C ATOM 883 CD GLU A 55 5.409 10.122 -4.686 1.00 0.00 C ATOM 884 OE1 GLU A 55 5.601 8.941 -4.921 1.00 0.00 O ATOM 885 OE2 GLU A 55 6.248 10.977 -4.459 1.00 0.00 O ATOM 0 H GLU A 55 2.480 11.879 -3.079 1.00 0.00 H new ATOM 0 HA GLU A 55 1.226 9.967 -4.829 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.505 9.601 -2.801 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.208 8.607 -4.214 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.558 10.617 -5.691 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.879 11.595 -4.272 1.00 0.00 H new ATOM 892 N LYS A 56 1.004 9.511 -1.590 1.00 0.00 N ATOM 893 CA LYS A 56 0.266 8.708 -0.594 1.00 0.00 C ATOM 894 C LYS A 56 -1.226 9.003 -0.701 1.00 0.00 C ATOM 895 O LYS A 56 -2.040 8.374 -0.051 1.00 0.00 O ATOM 896 CB LYS A 56 0.779 9.080 0.812 1.00 0.00 C ATOM 897 CG LYS A 56 2.110 8.355 1.068 1.00 0.00 C ATOM 898 CD LYS A 56 2.640 8.687 2.499 1.00 0.00 C ATOM 899 CE LYS A 56 3.632 9.867 2.448 1.00 0.00 C ATOM 900 NZ LYS A 56 3.580 10.646 3.717 1.00 0.00 N ATOM 0 H LYS A 56 1.582 10.262 -1.214 1.00 0.00 H new ATOM 0 HA LYS A 56 0.425 7.645 -0.776 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.917 10.158 0.889 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.045 8.798 1.567 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.972 7.279 0.964 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.845 8.655 0.321 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.805 8.935 3.154 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.130 7.811 2.924 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.643 9.493 2.285 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.392 10.516 1.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.312 11.385 3.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.644 11.088 3.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.748 10.010 4.522 1.00 0.00 H new ATOM 914 N GLY A 57 -1.549 9.962 -1.536 1.00 0.00 N ATOM 915 CA GLY A 57 -2.978 10.339 -1.728 1.00 0.00 C ATOM 916 C GLY A 57 -3.623 9.379 -2.725 1.00 0.00 C ATOM 917 O GLY A 57 -4.763 8.985 -2.576 1.00 0.00 O ATOM 0 H GLY A 57 -0.882 10.498 -2.091 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.507 10.302 -0.776 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.050 11.363 -2.093 1.00 0.00 H new ATOM 921 N LYS A 58 -2.875 9.034 -3.732 1.00 0.00 N ATOM 922 CA LYS A 58 -3.401 8.106 -4.753 1.00 0.00 C ATOM 923 C LYS A 58 -3.446 6.682 -4.164 1.00 0.00 C ATOM 924 O LYS A 58 -4.229 5.845 -4.585 1.00 0.00 O ATOM 925 CB LYS A 58 -2.446 8.227 -6.008 1.00 0.00 C ATOM 926 CG LYS A 58 -2.076 6.852 -6.632 1.00 0.00 C ATOM 927 CD LYS A 58 -0.889 6.221 -5.859 1.00 0.00 C ATOM 928 CE LYS A 58 0.438 6.725 -6.450 1.00 0.00 C ATOM 929 NZ LYS A 58 0.751 6.003 -7.713 1.00 0.00 N ATOM 0 H LYS A 58 -1.921 9.358 -3.888 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.419 8.345 -5.059 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.929 8.844 -6.766 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.532 8.742 -5.712 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.937 6.185 -6.600 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.811 6.979 -7.682 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.950 6.482 -4.802 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.937 5.134 -5.922 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.374 7.796 -6.642 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.243 6.578 -5.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.722 6.228 -8.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.665 4.978 -7.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.085 6.297 -8.455 1.00 0.00 H new ATOM 943 N PHE A 59 -2.649 6.472 -3.149 1.00 0.00 N ATOM 944 CA PHE A 59 -2.608 5.129 -2.498 1.00 0.00 C ATOM 945 C PHE A 59 -3.717 5.074 -1.487 1.00 0.00 C ATOM 946 O PHE A 59 -4.190 4.020 -1.115 1.00 0.00 O ATOM 947 CB PHE A 59 -1.252 4.950 -1.767 1.00 0.00 C ATOM 948 CG PHE A 59 -0.175 4.494 -2.766 1.00 0.00 C ATOM 949 CD1 PHE A 59 -0.311 3.302 -3.456 1.00 0.00 C ATOM 950 CD2 PHE A 59 0.950 5.269 -2.990 1.00 0.00 C ATOM 951 CE1 PHE A 59 0.655 2.903 -4.352 1.00 0.00 C ATOM 952 CE2 PHE A 59 1.911 4.868 -3.883 1.00 0.00 C ATOM 953 CZ PHE A 59 1.766 3.684 -4.565 1.00 0.00 C ATOM 0 H PHE A 59 -2.026 7.171 -2.743 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.722 4.342 -3.244 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.954 5.889 -1.301 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.354 4.215 -0.968 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.179 2.682 -3.291 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.072 6.200 -2.456 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.540 1.973 -4.889 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.783 5.484 -4.050 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.523 3.368 -5.267 1.00 0.00 H new ATOM 963 N GLU A 60 -4.113 6.240 -1.060 1.00 0.00 N ATOM 964 CA GLU A 60 -5.191 6.332 -0.074 1.00 0.00 C ATOM 965 C GLU A 60 -6.501 6.112 -0.788 1.00 0.00 C ATOM 966 O GLU A 60 -7.494 5.748 -0.192 1.00 0.00 O ATOM 967 CB GLU A 60 -5.148 7.761 0.535 1.00 0.00 C ATOM 968 CG GLU A 60 -4.379 7.748 1.871 1.00 0.00 C ATOM 969 CD GLU A 60 -5.307 7.282 2.999 1.00 0.00 C ATOM 970 OE1 GLU A 60 -6.232 6.554 2.676 1.00 0.00 O ATOM 971 OE2 GLU A 60 -5.037 7.681 4.120 1.00 0.00 O ATOM 0 H GLU A 60 -3.724 7.133 -1.363 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.082 5.589 0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.668 8.447 -0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.162 8.127 0.695 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.517 7.084 1.799 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.996 8.745 2.091 1.00 0.00 H new ATOM 978 N ASP A 61 -6.468 6.336 -2.074 1.00 0.00 N ATOM 979 CA ASP A 61 -7.692 6.152 -2.885 1.00 0.00 C ATOM 980 C ASP A 61 -7.896 4.684 -3.180 1.00 0.00 C ATOM 981 O ASP A 61 -9.011 4.216 -3.277 1.00 0.00 O ATOM 982 CB ASP A 61 -7.515 6.915 -4.202 1.00 0.00 C ATOM 983 CG ASP A 61 -8.732 6.674 -5.096 1.00 0.00 C ATOM 984 OD1 ASP A 61 -8.725 5.647 -5.754 1.00 0.00 O ATOM 985 OD2 ASP A 61 -9.600 7.531 -5.071 1.00 0.00 O ATOM 0 H ASP A 61 -5.643 6.638 -2.593 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.559 6.527 -2.341 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.400 7.981 -4.005 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.608 6.585 -4.707 1.00 0.00 H new ATOM 990 N MET A 62 -6.812 3.974 -3.349 1.00 0.00 N ATOM 991 CA MET A 62 -6.937 2.537 -3.634 1.00 0.00 C ATOM 992 C MET A 62 -7.345 1.823 -2.372 1.00 0.00 C ATOM 993 O MET A 62 -8.253 1.019 -2.377 1.00 0.00 O ATOM 994 CB MET A 62 -5.579 1.994 -4.117 1.00 0.00 C ATOM 995 CG MET A 62 -5.293 2.500 -5.545 1.00 0.00 C ATOM 996 SD MET A 62 -4.021 1.629 -6.494 1.00 0.00 S ATOM 997 CE MET A 62 -2.654 1.879 -5.337 1.00 0.00 C ATOM 0 H MET A 62 -5.859 4.333 -3.300 1.00 0.00 H new ATOM 0 HA MET A 62 -7.687 2.374 -4.408 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.787 2.317 -3.441 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.587 0.904 -4.102 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.224 2.458 -6.111 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.006 3.550 -5.480 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.737 1.475 -5.765 1.00 0.00 H new ATOM 0 HE2 MET A 62 -2.527 2.945 -5.148 1.00 0.00 H new ATOM 0 HE3 MET A 62 -2.873 1.368 -4.399 1.00 0.00 H new ATOM 1007 N ALA A 63 -6.665 2.126 -1.301 1.00 0.00 N ATOM 1008 CA ALA A 63 -7.017 1.469 -0.035 1.00 0.00 C ATOM 1009 C ALA A 63 -8.472 1.777 0.292 1.00 0.00 C ATOM 1010 O ALA A 63 -9.147 0.998 0.935 1.00 0.00 O ATOM 1011 CB ALA A 63 -6.096 2.012 1.081 1.00 0.00 C ATOM 0 H ALA A 63 -5.893 2.792 -1.257 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.888 0.390 -0.116 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.348 1.532 2.026 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.057 1.799 0.831 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.233 3.089 1.174 1.00 0.00 H new ATOM 1017 N LYS A 64 -8.932 2.921 -0.165 1.00 0.00 N ATOM 1018 CA LYS A 64 -10.329 3.290 0.106 1.00 0.00 C ATOM 1019 C LYS A 64 -11.249 2.429 -0.740 1.00 0.00 C ATOM 1020 O LYS A 64 -12.361 2.119 -0.349 1.00 0.00 O ATOM 1021 CB LYS A 64 -10.543 4.769 -0.260 1.00 0.00 C ATOM 1022 CG LYS A 64 -12.017 5.128 -0.048 1.00 0.00 C ATOM 1023 CD LYS A 64 -12.177 6.654 -0.024 1.00 0.00 C ATOM 1024 CE LYS A 64 -11.859 7.223 -1.412 1.00 0.00 C ATOM 1025 NZ LYS A 64 -12.319 8.635 -1.509 1.00 0.00 N ATOM 0 H LYS A 64 -8.394 3.598 -0.707 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.550 3.136 1.162 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.908 5.405 0.357 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.258 4.945 -1.297 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.624 4.701 -0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.375 4.700 0.888 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.194 6.919 0.265 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.510 7.089 0.721 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.786 7.169 -1.598 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.346 6.621 -2.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.097 9.008 -2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.346 8.677 -1.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.835 9.208 -0.788 1.00 0.00 H new ATOM 1039 N ALA A 65 -10.756 2.039 -1.892 1.00 0.00 N ATOM 1040 CA ALA A 65 -11.568 1.204 -2.777 1.00 0.00 C ATOM 1041 C ALA A 65 -11.663 -0.183 -2.208 1.00 0.00 C ATOM 1042 O ALA A 65 -12.718 -0.780 -2.181 1.00 0.00 O ATOM 1043 CB ALA A 65 -10.891 1.141 -4.157 1.00 0.00 C ATOM 0 H ALA A 65 -9.826 2.272 -2.241 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.568 1.626 -2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.487 0.521 -4.827 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.811 2.147 -4.569 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.895 0.710 -4.054 1.00 0.00 H new ATOM 1049 N ASP A 66 -10.558 -0.673 -1.754 1.00 0.00 N ATOM 1050 CA ASP A 66 -10.563 -2.021 -1.178 1.00 0.00 C ATOM 1051 C ASP A 66 -11.445 -2.017 0.051 1.00 0.00 C ATOM 1052 O ASP A 66 -12.006 -3.022 0.428 1.00 0.00 O ATOM 1053 CB ASP A 66 -9.124 -2.395 -0.773 1.00 0.00 C ATOM 1054 CG ASP A 66 -9.047 -3.900 -0.508 1.00 0.00 C ATOM 1055 OD1 ASP A 66 -9.394 -4.629 -1.422 1.00 0.00 O ATOM 1056 OD2 ASP A 66 -8.645 -4.234 0.595 1.00 0.00 O ATOM 0 H ASP A 66 -9.656 -0.197 -1.758 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.939 -2.743 -1.903 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.428 -2.118 -1.564 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.830 -1.842 0.119 1.00 0.00 H new ATOM 1061 N LYS A 67 -11.547 -0.869 0.658 1.00 0.00 N ATOM 1062 CA LYS A 67 -12.385 -0.763 1.859 1.00 0.00 C ATOM 1063 C LYS A 67 -13.818 -1.157 1.516 1.00 0.00 C ATOM 1064 O LYS A 67 -14.452 -1.889 2.238 1.00 0.00 O ATOM 1065 CB LYS A 67 -12.340 0.714 2.351 1.00 0.00 C ATOM 1066 CG LYS A 67 -12.394 0.763 3.892 1.00 0.00 C ATOM 1067 CD LYS A 67 -13.748 0.217 4.383 1.00 0.00 C ATOM 1068 CE LYS A 67 -14.030 0.745 5.799 1.00 0.00 C ATOM 1069 NZ LYS A 67 -15.087 -0.073 6.457 1.00 0.00 N ATOM 0 H LYS A 67 -11.084 -0.008 0.368 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.019 -1.428 2.641 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.429 1.196 1.996 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.179 1.270 1.932 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.579 0.173 4.313 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.258 1.788 4.238 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.544 0.523 3.704 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.733 -0.873 4.386 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.117 0.717 6.393 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.346 1.787 5.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -14.875 -0.163 7.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.010 0.390 6.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.115 -1.018 6.024 1.00 0.00 H new ATOM 1083 N ALA A 68 -14.301 -0.665 0.407 1.00 0.00 N ATOM 1084 CA ALA A 68 -15.680 -1.009 0.021 1.00 0.00 C ATOM 1085 C ALA A 68 -15.797 -2.490 -0.310 1.00 0.00 C ATOM 1086 O ALA A 68 -16.808 -3.110 -0.044 1.00 0.00 O ATOM 1087 CB ALA A 68 -16.069 -0.175 -1.214 1.00 0.00 C ATOM 0 H ALA A 68 -13.801 -0.049 -0.234 1.00 0.00 H new ATOM 0 HA ALA A 68 -16.348 -0.791 0.854 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -17.089 -0.419 -1.512 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -16.006 0.886 -0.971 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.388 -0.400 -2.035 1.00 0.00 H new ATOM 1093 N ARG A 69 -14.764 -3.028 -0.884 1.00 0.00 N ATOM 1094 CA ARG A 69 -14.804 -4.467 -1.234 1.00 0.00 C ATOM 1095 C ARG A 69 -14.873 -5.303 0.032 1.00 0.00 C ATOM 1096 O ARG A 69 -15.335 -6.427 0.019 1.00 0.00 O ATOM 1097 CB ARG A 69 -13.519 -4.831 -2.000 1.00 0.00 C ATOM 1098 CG ARG A 69 -13.457 -4.024 -3.307 1.00 0.00 C ATOM 1099 CD ARG A 69 -14.615 -4.437 -4.242 1.00 0.00 C ATOM 1100 NE ARG A 69 -15.781 -3.542 -3.992 1.00 0.00 N ATOM 1101 CZ ARG A 69 -16.951 -3.864 -4.474 1.00 0.00 C ATOM 1102 NH1 ARG A 69 -17.068 -4.968 -5.162 1.00 0.00 N ATOM 1103 NH2 ARG A 69 -17.964 -3.071 -4.256 1.00 0.00 N ATOM 0 H ARG A 69 -13.902 -2.539 -1.124 1.00 0.00 H new ATOM 0 HA ARG A 69 -15.682 -4.665 -1.849 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.644 -4.618 -1.386 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.503 -5.899 -2.218 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.519 -2.958 -3.088 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.501 -4.193 -3.803 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -14.302 -4.366 -5.284 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.892 -5.476 -4.063 1.00 0.00 H new ATOM 0 HE ARG A 69 -15.666 -2.686 -3.449 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -16.253 -5.562 -5.315 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -17.974 -5.236 -5.546 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -17.835 -2.215 -3.716 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -18.885 -3.307 -4.625 1.00 0.00 H new ATOM 1117 N TYR A 70 -14.408 -4.724 1.111 1.00 0.00 N ATOM 1118 CA TYR A 70 -14.426 -5.450 2.405 1.00 0.00 C ATOM 1119 C TYR A 70 -15.804 -5.372 3.043 1.00 0.00 C ATOM 1120 O TYR A 70 -16.417 -6.381 3.328 1.00 0.00 O ATOM 1121 CB TYR A 70 -13.412 -4.778 3.347 1.00 0.00 C ATOM 1122 CG TYR A 70 -13.171 -5.674 4.563 1.00 0.00 C ATOM 1123 CD1 TYR A 70 -12.209 -6.661 4.523 1.00 0.00 C ATOM 1124 CD2 TYR A 70 -13.900 -5.498 5.724 1.00 0.00 C ATOM 1125 CE1 TYR A 70 -11.978 -7.460 5.624 1.00 0.00 C ATOM 1126 CE2 TYR A 70 -13.668 -6.297 6.825 1.00 0.00 C ATOM 1127 CZ TYR A 70 -12.704 -7.285 6.783 1.00 0.00 C ATOM 1128 OH TYR A 70 -12.469 -8.082 7.885 1.00 0.00 O ATOM 0 H TYR A 70 -14.019 -3.782 1.146 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.174 -6.497 2.234 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.474 -4.601 2.821 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.786 -3.806 3.667 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.632 -6.810 3.623 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -14.657 -4.729 5.770 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -11.222 -8.229 5.577 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -14.245 -6.149 7.726 1.00 0.00 H new ATOM 0 HH TYR A 70 -13.070 -7.819 8.613 1.00 0.00 H new ATOM 1138 N GLU A 71 -16.277 -4.171 3.248 1.00 0.00 N ATOM 1139 CA GLU A 71 -17.607 -4.012 3.866 1.00 0.00 C ATOM 1140 C GLU A 71 -18.682 -4.720 3.052 1.00 0.00 C ATOM 1141 O GLU A 71 -19.611 -5.279 3.597 1.00 0.00 O ATOM 1142 CB GLU A 71 -17.937 -2.512 3.919 1.00 0.00 C ATOM 1143 CG GLU A 71 -16.889 -1.796 4.780 1.00 0.00 C ATOM 1144 CD GLU A 71 -17.442 -0.445 5.245 1.00 0.00 C ATOM 1145 OE1 GLU A 71 -18.135 -0.460 6.250 1.00 0.00 O ATOM 1146 OE2 GLU A 71 -17.141 0.525 4.568 1.00 0.00 O ATOM 0 H GLU A 71 -15.796 -3.303 3.013 1.00 0.00 H new ATOM 0 HA GLU A 71 -17.586 -4.450 4.864 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -17.946 -2.093 2.913 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -18.933 -2.361 4.336 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -16.630 -2.411 5.642 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -15.973 -1.648 4.208 1.00 0.00 H new ATOM 1153 N ARG A 72 -18.531 -4.682 1.764 1.00 0.00 N ATOM 1154 CA ARG A 72 -19.532 -5.345 0.886 1.00 0.00 C ATOM 1155 C ARG A 72 -19.622 -6.842 1.167 1.00 0.00 C ATOM 1156 O ARG A 72 -20.702 -7.402 1.219 1.00 0.00 O ATOM 1157 CB ARG A 72 -19.093 -5.139 -0.585 1.00 0.00 C ATOM 1158 CG ARG A 72 -19.456 -3.705 -1.044 1.00 0.00 C ATOM 1159 CD ARG A 72 -20.899 -3.679 -1.576 1.00 0.00 C ATOM 1160 NE ARG A 72 -20.941 -4.368 -2.897 1.00 0.00 N ATOM 1161 CZ ARG A 72 -22.076 -4.461 -3.539 1.00 0.00 C ATOM 1162 NH1 ARG A 72 -23.146 -3.941 -3.004 1.00 0.00 N ATOM 1163 NH2 ARG A 72 -22.102 -5.076 -4.690 1.00 0.00 N ATOM 0 H ARG A 72 -17.760 -4.222 1.279 1.00 0.00 H new ATOM 0 HA ARG A 72 -20.511 -4.906 1.077 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -18.019 -5.300 -0.680 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -19.583 -5.871 -1.227 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -19.353 -3.009 -0.211 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -18.766 -3.376 -1.821 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -21.569 -4.173 -0.872 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -21.245 -2.650 -1.677 1.00 0.00 H new ATOM 0 HE ARG A 72 -20.090 -4.764 -3.297 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -23.088 -3.472 -2.100 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -24.041 -4.003 -3.490 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -21.246 -5.475 -5.075 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -22.979 -5.158 -5.205 1.00 0.00 H new ATOM 1177 N GLU A 73 -18.491 -7.456 1.347 1.00 0.00 N ATOM 1178 CA GLU A 73 -18.472 -8.923 1.626 1.00 0.00 C ATOM 1179 C GLU A 73 -18.735 -9.233 3.097 1.00 0.00 C ATOM 1180 O GLU A 73 -19.003 -10.363 3.449 1.00 0.00 O ATOM 1181 CB GLU A 73 -17.083 -9.456 1.254 1.00 0.00 C ATOM 1182 CG GLU A 73 -16.896 -9.342 -0.260 1.00 0.00 C ATOM 1183 CD GLU A 73 -15.531 -9.908 -0.648 1.00 0.00 C ATOM 1184 OE1 GLU A 73 -15.331 -11.079 -0.373 1.00 0.00 O ATOM 1185 OE2 GLU A 73 -14.762 -9.137 -1.199 1.00 0.00 O ATOM 0 H GLU A 73 -17.575 -7.009 1.314 1.00 0.00 H new ATOM 0 HA GLU A 73 -19.261 -9.396 1.041 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -16.310 -8.888 1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -16.981 -10.495 1.569 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -17.687 -9.885 -0.777 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.971 -8.299 -0.569 1.00 0.00 H new ATOM 1192 N MET A 74 -18.647 -8.233 3.934 1.00 0.00 N ATOM 1193 CA MET A 74 -18.894 -8.473 5.377 1.00 0.00 C ATOM 1194 C MET A 74 -20.384 -8.634 5.662 1.00 0.00 C ATOM 1195 O MET A 74 -20.769 -9.129 6.704 1.00 0.00 O ATOM 1196 CB MET A 74 -18.353 -7.263 6.173 1.00 0.00 C ATOM 1197 CG MET A 74 -16.828 -7.405 6.346 1.00 0.00 C ATOM 1198 SD MET A 74 -16.245 -8.485 7.696 1.00 0.00 S ATOM 1199 CE MET A 74 -15.197 -9.601 6.719 1.00 0.00 C ATOM 0 H MET A 74 -18.417 -7.272 3.680 1.00 0.00 H new ATOM 0 HA MET A 74 -18.389 -9.392 5.674 1.00 0.00 H new ATOM 0 HB2 MET A 74 -18.586 -6.336 5.650 1.00 0.00 H new ATOM 0 HB3 MET A 74 -18.837 -7.209 7.148 1.00 0.00 H new ATOM 0 HG2 MET A 74 -16.414 -7.780 5.410 1.00 0.00 H new ATOM 0 HG3 MET A 74 -16.411 -6.410 6.504 1.00 0.00 H new ATOM 0 HE1 MET A 74 -14.521 -10.139 7.383 1.00 0.00 H new ATOM 0 HE2 MET A 74 -15.824 -10.314 6.184 1.00 0.00 H new ATOM 0 HE3 MET A 74 -14.616 -9.020 6.002 1.00 0.00 H new ATOM 1209 N LYS A 75 -21.195 -8.211 4.737 1.00 0.00 N ATOM 1210 CA LYS A 75 -22.651 -8.332 4.938 1.00 0.00 C ATOM 1211 C LYS A 75 -23.100 -9.776 4.761 1.00 0.00 C ATOM 1212 O LYS A 75 -24.278 -10.056 4.660 1.00 0.00 O ATOM 1213 CB LYS A 75 -23.358 -7.464 3.891 1.00 0.00 C ATOM 1214 CG LYS A 75 -23.083 -5.989 4.198 1.00 0.00 C ATOM 1215 CD LYS A 75 -23.953 -5.105 3.290 1.00 0.00 C ATOM 1216 CE LYS A 75 -23.702 -5.465 1.816 1.00 0.00 C ATOM 1217 NZ LYS A 75 -24.574 -6.602 1.407 1.00 0.00 N ATOM 0 H LYS A 75 -20.908 -7.788 3.854 1.00 0.00 H new ATOM 0 HA LYS A 75 -22.901 -8.008 5.948 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -23.001 -7.714 2.892 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -24.431 -7.658 3.904 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -23.300 -5.778 5.245 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -22.028 -5.764 4.040 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -25.006 -5.244 3.533 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -23.722 -4.054 3.461 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -23.901 -4.599 1.184 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -22.655 -5.731 1.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -23.986 -7.437 1.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -25.242 -6.821 2.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -25.104 -6.343 0.550 1.00 0.00 H new ATOM 1231 N THR A 76 -22.142 -10.671 4.727 1.00 0.00 N ATOM 1232 CA THR A 76 -22.481 -12.110 4.557 1.00 0.00 C ATOM 1233 C THR A 76 -21.331 -12.999 5.044 1.00 0.00 C ATOM 1234 O THR A 76 -21.434 -14.210 5.052 1.00 0.00 O ATOM 1235 CB THR A 76 -22.739 -12.368 3.056 1.00 0.00 C ATOM 1236 OG1 THR A 76 -22.995 -13.752 2.940 1.00 0.00 O ATOM 1237 CG2 THR A 76 -21.466 -12.135 2.226 1.00 0.00 C ATOM 0 H THR A 76 -21.147 -10.464 4.810 1.00 0.00 H new ATOM 0 HA THR A 76 -23.366 -12.350 5.146 1.00 0.00 H new ATOM 0 HB THR A 76 -23.541 -11.716 2.711 1.00 0.00 H new ATOM 0 HG1 THR A 76 -22.780 -14.197 3.786 1.00 0.00 H new ATOM 0 HG21 THR A 76 -21.678 -12.324 1.174 1.00 0.00 H new ATOM 0 HG22 THR A 76 -21.135 -11.104 2.350 1.00 0.00 H new ATOM 0 HG23 THR A 76 -20.682 -12.811 2.565 1.00 0.00 H new ATOM 1245 N TYR A 77 -20.256 -12.378 5.459 1.00 0.00 N ATOM 1246 CA TYR A 77 -19.099 -13.171 5.944 1.00 0.00 C ATOM 1247 C TYR A 77 -19.421 -13.792 7.304 1.00 0.00 C ATOM 1248 O TYR A 77 -20.022 -14.835 7.363 1.00 0.00 O ATOM 1249 CB TYR A 77 -17.887 -12.215 6.069 1.00 0.00 C ATOM 1250 CG TYR A 77 -16.635 -12.976 6.553 1.00 0.00 C ATOM 1251 CD1 TYR A 77 -16.164 -14.087 5.868 1.00 0.00 C ATOM 1252 CD2 TYR A 77 -15.938 -12.537 7.664 1.00 0.00 C ATOM 1253 CE1 TYR A 77 -15.024 -14.739 6.292 1.00 0.00 C ATOM 1254 CE2 TYR A 77 -14.796 -13.192 8.081 1.00 0.00 C ATOM 1255 CZ TYR A 77 -14.331 -14.297 7.399 1.00 0.00 C ATOM 1256 OH TYR A 77 -13.186 -14.947 7.814 1.00 0.00 O ATOM 0 H TYR A 77 -20.135 -11.365 5.481 1.00 0.00 H new ATOM 0 HA TYR A 77 -18.874 -13.979 5.247 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -17.685 -11.749 5.104 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -18.122 -11.412 6.767 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -16.693 -14.444 4.997 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -16.290 -11.674 8.210 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -14.671 -15.605 5.751 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -14.262 -12.836 8.949 1.00 0.00 H new ATOM 0 HH TYR A 77 -12.826 -14.501 8.609 1.00 0.00 H new ATOM 1266 N ILE A 78 -19.020 -13.118 8.366 1.00 0.00 N ATOM 1267 CA ILE A 78 -19.283 -13.634 9.753 1.00 0.00 C ATOM 1268 C ILE A 78 -18.919 -15.151 9.905 1.00 0.00 C ATOM 1269 O ILE A 78 -19.741 -16.016 9.662 1.00 0.00 O ATOM 1270 CB ILE A 78 -20.784 -13.450 10.048 1.00 0.00 C ATOM 1271 CG1 ILE A 78 -21.139 -11.940 10.043 1.00 0.00 C ATOM 1272 CG2 ILE A 78 -21.088 -14.029 11.468 1.00 0.00 C ATOM 1273 CD1 ILE A 78 -21.095 -11.373 8.601 1.00 0.00 C ATOM 0 H ILE A 78 -18.520 -12.230 8.328 1.00 0.00 H new ATOM 0 HA ILE A 78 -18.658 -13.078 10.452 1.00 0.00 H new ATOM 0 HB ILE A 78 -21.371 -13.965 9.288 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -22.132 -11.793 10.467 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -20.439 -11.394 10.675 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -22.148 -13.906 11.692 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -20.833 -15.088 11.491 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -20.496 -13.497 12.212 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -21.347 -10.313 8.619 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -20.094 -11.501 8.190 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -21.814 -11.906 7.978 1.00 0.00 H new ATOM 1285 N PRO A 79 -17.690 -15.453 10.343 1.00 0.00 N ATOM 1286 CA PRO A 79 -17.278 -16.850 10.508 1.00 0.00 C ATOM 1287 C PRO A 79 -18.162 -17.560 11.565 1.00 0.00 C ATOM 1288 O PRO A 79 -18.950 -16.925 12.237 1.00 0.00 O ATOM 1289 CB PRO A 79 -15.786 -16.771 10.982 1.00 0.00 C ATOM 1290 CG PRO A 79 -15.380 -15.257 10.968 1.00 0.00 C ATOM 1291 CD PRO A 79 -16.675 -14.450 10.712 1.00 0.00 C ATOM 0 HA PRO A 79 -17.384 -17.425 9.588 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.676 -17.190 11.982 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -15.140 -17.350 10.321 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -14.926 -14.970 11.917 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -14.642 -15.062 10.190 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -16.975 -13.895 11.601 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.533 -13.721 9.914 1.00 0.00 H new ATOM 1299 N PRO A 80 -18.021 -18.885 11.673 1.00 0.00 N ATOM 1300 CA PRO A 80 -18.807 -19.655 12.640 1.00 0.00 C ATOM 1301 C PRO A 80 -18.417 -19.298 14.078 1.00 0.00 C ATOM 1302 O PRO A 80 -17.904 -18.231 14.337 1.00 0.00 O ATOM 1303 CB PRO A 80 -18.460 -21.153 12.327 1.00 0.00 C ATOM 1304 CG PRO A 80 -17.262 -21.141 11.326 1.00 0.00 C ATOM 1305 CD PRO A 80 -17.093 -19.679 10.841 1.00 0.00 C ATOM 0 HA PRO A 80 -19.874 -19.448 12.557 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.195 -21.687 13.240 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -19.319 -21.666 11.895 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -16.351 -21.495 11.810 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -17.455 -21.807 10.485 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -16.065 -19.340 10.965 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -17.335 -19.585 9.782 1.00 0.00 H new ATOM 1313 N LYS A 81 -18.680 -20.201 14.972 1.00 0.00 N ATOM 1314 CA LYS A 81 -18.344 -19.959 16.394 1.00 0.00 C ATOM 1315 C LYS A 81 -16.834 -19.839 16.589 1.00 0.00 C ATOM 1316 O LYS A 81 -16.181 -20.779 16.995 1.00 0.00 O ATOM 1317 CB LYS A 81 -18.846 -21.159 17.220 1.00 0.00 C ATOM 1318 CG LYS A 81 -20.374 -21.290 17.067 1.00 0.00 C ATOM 1319 CD LYS A 81 -21.085 -20.192 17.889 1.00 0.00 C ATOM 1320 CE LYS A 81 -22.549 -20.595 18.117 1.00 0.00 C ATOM 1321 NZ LYS A 81 -23.362 -19.405 18.495 1.00 0.00 N ATOM 0 H LYS A 81 -19.116 -21.102 14.777 1.00 0.00 H new ATOM 0 HA LYS A 81 -18.814 -19.029 16.713 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -18.357 -22.074 16.885 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -18.586 -21.025 18.270 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -20.651 -21.205 16.016 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -20.698 -22.275 17.404 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -20.581 -20.054 18.845 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -21.036 -19.239 17.363 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -22.954 -21.047 17.212 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -22.607 -21.348 18.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -24.350 -19.693 18.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -22.984 -18.991 19.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -23.320 -18.699 17.732 1.00 0.00 H new ATOM 1335 N GLY A 82 -16.306 -18.678 16.300 1.00 0.00 N ATOM 1336 CA GLY A 82 -14.836 -18.478 16.465 1.00 0.00 C ATOM 1337 C GLY A 82 -14.499 -16.984 16.496 1.00 0.00 C ATOM 1338 O GLY A 82 -13.764 -16.495 15.662 1.00 0.00 O ATOM 0 H GLY A 82 -16.823 -17.867 15.960 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.500 -18.952 17.387 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.303 -18.960 15.646 1.00 0.00 H new ATOM 1342 N GLU A 83 -15.047 -16.291 17.459 1.00 0.00 N ATOM 1343 CA GLU A 83 -14.770 -14.836 17.557 1.00 0.00 C ATOM 1344 C GLU A 83 -13.270 -14.577 17.629 1.00 0.00 C ATOM 1345 O GLU A 83 -12.623 -15.332 18.336 1.00 0.00 O ATOM 1346 CB GLU A 83 -15.422 -14.302 18.839 1.00 0.00 C ATOM 1347 CG GLU A 83 -16.944 -14.362 18.695 1.00 0.00 C ATOM 1348 CD GLU A 83 -17.594 -13.805 19.963 1.00 0.00 C ATOM 1349 OE1 GLU A 83 -17.174 -14.242 21.023 1.00 0.00 O ATOM 1350 OE2 GLU A 83 -18.471 -12.973 19.800 1.00 0.00 O ATOM 1351 OXT GLU A 83 -12.852 -13.635 16.975 1.00 0.00 O ATOM 0 H GLU A 83 -15.668 -16.669 18.174 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.172 -14.337 16.675 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -15.103 -14.894 19.697 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -15.103 -13.276 19.023 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -17.262 -13.785 17.826 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -17.265 -15.390 18.530 1.00 0.00 H new TER 1358 GLU A 83