USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 856 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 NoAdj-H: A 55 HIS HE2 : A 55 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 94 ASN : amide:sc= 0.208 X(o=0.016,f=-0.18) USER MOD Set 1.2: A 98 SER OG : rot 150:sc= -0.193 USER MOD Set 2.1: A 92 SER OG : rot -140:sc= 0 USER MOD Set 2.2: A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 64 SER OG : rot 60:sc= 0.92 USER MOD Set 3.2: A 69 ASN : amide:sc= 1.12 K(o=2,f=1.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -139:sc= 0.0149 (180deg=-0.137) USER MOD Single : A 2 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.176) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.679 X(o=-0.68,f=-0.46) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.314 K(o=-0.31,f=-1.2!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0271 USER MOD Single : A 24 LYS NZ :NH3+ 132:sc= -0.171 (180deg=-0.552) USER MOD Single : A 25 CYS SG : rot 38:sc= -0.22 USER MOD Single : A 31 LYS NZ :NH3+ 169:sc= -0.0431 (180deg=-0.247) USER MOD Single : A 32 SER OG : rot 100:sc= 1.23 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HE2:sc= 0.848 K(o=0.85,f=-2.8!) USER MOD Single : A 35 LYS NZ :NH3+ 171:sc=-0.00279 (180deg=-0.117) USER MOD Single : A 36 THR OG1 : rot 153:sc= 1.18 USER MOD Single : A 39 ASN : amide:sc= -2.73! C(o=-2.7!,f=-4.8!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 43 HIS : no HE2:sc= -0.368 K(o=-0.37,f=-1.1) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -122:sc= 0.571 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -60:sc= 0.167! USER MOD Single : A 57 ASN : amide:sc= 0.0587 X(o=0.059,f=0) USER MOD Single : A 61 TYR OH : rot 6:sc= 0.532 USER MOD Single : A 63 LYS NZ :NH3+ -165:sc=-0.00365 (180deg=-0.18) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -175:sc= 0 (180deg=-0.0289) USER MOD Single : A 75 LYS NZ :NH3+ -148:sc= 0.89 (180deg=0.388) USER MOD Single : A 76 GLN : amide:sc= -0.349 X(o=-0.35,f=-0.2) USER MOD Single : A 80 LYS NZ :NH3+ -169:sc= 1.24 (180deg=1.18) USER MOD Single : A 85 LYS NZ :NH3+ -177:sc= 1.27 (180deg=1.18) USER MOD Single : A 86 SER OG : rot 180:sc= -0.0111 USER MOD Single : A 87 ASN : amide:sc= -0.298 K(o=-0.3,f=-4.5!) USER MOD Single : A 91 TYR OH : rot 180:sc= -0.142 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -107:sc= 0.707 (180deg=-0.0842) USER MOD Single : A 101 LYS NZ :NH3+ 157:sc= -0.0992 (180deg=-0.522) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.734 -6.883 6.091 1.00 20.03 N ATOM 2 CA MET A 1 5.567 -5.577 5.418 1.00 1.45 C ATOM 3 C MET A 1 4.122 -5.404 4.984 1.00 54.41 C ATOM 4 O MET A 1 3.402 -6.389 4.816 1.00 20.05 O ATOM 5 CB MET A 1 6.488 -5.485 4.198 1.00 34.35 C ATOM 6 CG MET A 1 7.952 -5.743 4.514 1.00 71.40 C ATOM 7 SD MET A 1 8.597 -4.650 5.796 1.00 25.13 S ATOM 8 CE MET A 1 10.291 -5.225 5.907 1.00 45.25 C ATOM 0 H1 MET A 1 6.354 -6.770 6.918 1.00 20.03 H new ATOM 0 H2 MET A 1 4.806 -7.236 6.400 1.00 20.03 H new ATOM 0 H3 MET A 1 6.160 -7.563 5.429 1.00 20.03 H new ATOM 0 HA MET A 1 5.832 -4.785 6.119 1.00 1.45 H new ATOM 0 HB2 MET A 1 6.156 -6.203 3.449 1.00 34.35 H new ATOM 0 HB3 MET A 1 6.391 -4.494 3.755 1.00 34.35 H new ATOM 0 HG2 MET A 1 8.073 -6.779 4.832 1.00 71.40 H new ATOM 0 HG3 MET A 1 8.542 -5.618 3.606 1.00 71.40 H new ATOM 0 HE1 MET A 1 10.823 -4.645 6.661 1.00 45.25 H new ATOM 0 HE2 MET A 1 10.300 -6.279 6.187 1.00 45.25 H new ATOM 0 HE3 MET A 1 10.781 -5.102 4.941 1.00 45.25 H new ATOM 18 N LYS A 2 3.684 -4.164 4.818 1.00 13.32 N ATOM 19 CA LYS A 2 2.343 -3.915 4.314 1.00 41.22 C ATOM 20 C LYS A 2 2.330 -4.058 2.793 1.00 22.00 C ATOM 21 O LYS A 2 3.162 -3.479 2.090 1.00 51.44 O ATOM 22 CB LYS A 2 1.804 -2.541 4.770 1.00 44.45 C ATOM 23 CG LYS A 2 2.318 -1.324 4.004 1.00 53.01 C ATOM 24 CD LYS A 2 3.819 -1.117 4.153 1.00 54.42 C ATOM 25 CE LYS A 2 4.250 0.251 3.639 1.00 4.33 C ATOM 26 NZ LYS A 2 3.705 0.544 2.286 1.00 32.24 N ATOM 0 H LYS A 2 4.229 -3.326 5.022 1.00 13.32 H new ATOM 0 HA LYS A 2 1.669 -4.660 4.736 1.00 41.22 H new ATOM 0 HB2 LYS A 2 0.717 -2.558 4.695 1.00 44.45 H new ATOM 0 HB3 LYS A 2 2.049 -2.410 5.824 1.00 44.45 H new ATOM 0 HG2 LYS A 2 2.076 -1.438 2.947 1.00 53.01 H new ATOM 0 HG3 LYS A 2 1.797 -0.434 4.356 1.00 53.01 H new ATOM 0 HD2 LYS A 2 4.098 -1.217 5.202 1.00 54.42 H new ATOM 0 HD3 LYS A 2 4.350 -1.896 3.606 1.00 54.42 H new ATOM 0 HE2 LYS A 2 3.917 1.020 4.336 1.00 4.33 H new ATOM 0 HE3 LYS A 2 5.339 0.298 3.608 1.00 4.33 H new ATOM 0 HZ1 LYS A 2 4.144 1.411 1.915 1.00 32.24 H new ATOM 0 HZ2 LYS A 2 3.914 -0.250 1.648 1.00 32.24 H new ATOM 0 HZ3 LYS A 2 2.675 0.677 2.348 1.00 32.24 H new ATOM 40 N GLY A 3 1.410 -4.865 2.291 1.00 11.23 N ATOM 41 CA GLY A 3 1.383 -5.149 0.876 1.00 40.51 C ATOM 42 C GLY A 3 0.054 -4.815 0.245 1.00 74.14 C ATOM 43 O GLY A 3 -0.132 -3.714 -0.270 1.00 35.11 O ATOM 0 H GLY A 3 0.683 -5.327 2.838 1.00 11.23 H new ATOM 0 HA2 GLY A 3 2.170 -4.581 0.380 1.00 40.51 H new ATOM 0 HA3 GLY A 3 1.602 -6.205 0.716 1.00 40.51 H new ATOM 47 N ASP A 4 -0.872 -5.760 0.291 1.00 41.51 N ATOM 48 CA ASP A 4 -2.181 -5.569 -0.312 1.00 34.55 C ATOM 49 C ASP A 4 -3.280 -5.708 0.730 1.00 24.10 C ATOM 50 O ASP A 4 -3.266 -6.611 1.577 1.00 45.10 O ATOM 51 CB ASP A 4 -2.402 -6.542 -1.481 1.00 54.43 C ATOM 52 CG ASP A 4 -2.538 -7.986 -1.051 1.00 43.31 C ATOM 53 OD1 ASP A 4 -1.511 -8.611 -0.697 1.00 20.23 O ATOM 54 OD2 ASP A 4 -3.669 -8.507 -1.079 1.00 61.23 O ATOM 0 H ASP A 4 -0.741 -6.667 0.740 1.00 41.51 H new ATOM 0 HA ASP A 4 -2.221 -4.556 -0.713 1.00 34.55 H new ATOM 0 HB2 ASP A 4 -3.301 -6.247 -2.023 1.00 54.43 H new ATOM 0 HB3 ASP A 4 -1.567 -6.456 -2.177 1.00 54.43 H new ATOM 59 N ILE A 5 -4.226 -4.788 0.667 1.00 1.23 N ATOM 60 CA ILE A 5 -5.292 -4.705 1.650 1.00 55.34 C ATOM 61 C ILE A 5 -6.252 -5.886 1.508 1.00 1.10 C ATOM 62 O ILE A 5 -6.904 -6.294 2.468 1.00 52.52 O ATOM 63 CB ILE A 5 -6.048 -3.354 1.513 1.00 44.02 C ATOM 64 CG1 ILE A 5 -6.280 -2.711 2.886 1.00 31.43 C ATOM 65 CG2 ILE A 5 -7.363 -3.508 0.754 1.00 74.41 C ATOM 66 CD1 ILE A 5 -7.033 -3.576 3.870 1.00 13.13 C ATOM 0 H ILE A 5 -4.277 -4.079 -0.065 1.00 1.23 H new ATOM 0 HA ILE A 5 -4.850 -4.751 2.645 1.00 55.34 H new ATOM 0 HB ILE A 5 -5.413 -2.690 0.927 1.00 44.02 H new ATOM 0 HG12 ILE A 5 -5.314 -2.450 3.318 1.00 31.43 H new ATOM 0 HG13 ILE A 5 -6.829 -1.780 2.748 1.00 31.43 H new ATOM 0 HG21 ILE A 5 -7.857 -2.539 0.682 1.00 74.41 H new ATOM 0 HG22 ILE A 5 -7.163 -3.888 -0.248 1.00 74.41 H new ATOM 0 HG23 ILE A 5 -8.010 -4.207 1.285 1.00 74.41 H new ATOM 0 HD11 ILE A 5 -7.150 -3.039 4.811 1.00 13.13 H new ATOM 0 HD12 ILE A 5 -8.016 -3.816 3.465 1.00 13.13 H new ATOM 0 HD13 ILE A 5 -6.477 -4.497 4.044 1.00 13.13 H new ATOM 78 N GLU A 6 -6.299 -6.456 0.317 1.00 42.25 N ATOM 79 CA GLU A 6 -7.209 -7.553 0.039 1.00 63.45 C ATOM 80 C GLU A 6 -6.787 -8.790 0.813 1.00 43.13 C ATOM 81 O GLU A 6 -7.622 -9.489 1.388 1.00 14.13 O ATOM 82 CB GLU A 6 -7.263 -7.852 -1.460 1.00 75.33 C ATOM 83 CG GLU A 6 -7.934 -6.760 -2.290 1.00 31.33 C ATOM 84 CD GLU A 6 -7.143 -5.464 -2.339 1.00 1.21 C ATOM 85 OE1 GLU A 6 -5.891 -5.513 -2.287 1.00 73.44 O ATOM 86 OE2 GLU A 6 -7.765 -4.386 -2.432 1.00 72.44 O ATOM 0 H GLU A 6 -5.718 -6.177 -0.473 1.00 42.25 H new ATOM 0 HA GLU A 6 -8.209 -7.260 0.360 1.00 63.45 H new ATOM 0 HB2 GLU A 6 -6.247 -8.000 -1.827 1.00 75.33 H new ATOM 0 HB3 GLU A 6 -7.797 -8.790 -1.613 1.00 75.33 H new ATOM 0 HG2 GLU A 6 -8.081 -7.126 -3.306 1.00 31.33 H new ATOM 0 HG3 GLU A 6 -8.923 -6.558 -1.878 1.00 31.33 H new ATOM 93 N HIS A 7 -5.482 -9.045 0.839 1.00 73.14 N ATOM 94 CA HIS A 7 -4.932 -10.138 1.623 1.00 40.12 C ATOM 95 C HIS A 7 -5.316 -9.958 3.080 1.00 72.13 C ATOM 96 O HIS A 7 -5.686 -10.914 3.750 1.00 33.53 O ATOM 97 CB HIS A 7 -3.407 -10.194 1.479 1.00 44.11 C ATOM 98 CG HIS A 7 -2.787 -11.460 1.990 1.00 52.10 C ATOM 99 ND1 HIS A 7 -1.862 -11.510 3.012 1.00 14.31 N ATOM 100 CD2 HIS A 7 -2.959 -12.743 1.582 1.00 3.44 C ATOM 101 CE1 HIS A 7 -1.509 -12.789 3.186 1.00 15.25 C ATOM 102 NE2 HIS A 7 -2.147 -13.579 2.343 1.00 63.04 N ATOM 0 H HIS A 7 -4.787 -8.506 0.323 1.00 73.14 H new ATOM 0 HA HIS A 7 -5.342 -11.079 1.255 1.00 40.12 H new ATOM 0 HB2 HIS A 7 -3.148 -10.075 0.427 1.00 44.11 H new ATOM 0 HB3 HIS A 7 -2.972 -9.349 2.012 1.00 44.11 H new ATOM 0 HD2 HIS A 7 -3.621 -13.064 0.792 1.00 3.44 H new ATOM 0 HE1 HIS A 7 -0.795 -13.130 3.921 1.00 15.25 H new ATOM 0 HE2 HIS A 7 -2.063 -14.593 2.265 1.00 63.04 H new ATOM 110 N LYS A 8 -5.255 -8.716 3.553 1.00 13.13 N ATOM 111 CA LYS A 8 -5.625 -8.406 4.933 1.00 61.35 C ATOM 112 C LYS A 8 -7.072 -8.793 5.203 1.00 5.32 C ATOM 113 O LYS A 8 -7.360 -9.503 6.166 1.00 62.14 O ATOM 114 CB LYS A 8 -5.452 -6.919 5.231 1.00 33.42 C ATOM 115 CG LYS A 8 -4.144 -6.336 4.739 1.00 53.22 C ATOM 116 CD LYS A 8 -2.956 -7.148 5.215 1.00 62.01 C ATOM 117 CE LYS A 8 -1.652 -6.527 4.761 1.00 44.33 C ATOM 118 NZ LYS A 8 -0.477 -7.244 5.325 1.00 53.21 N ATOM 0 H LYS A 8 -4.954 -7.910 3.005 1.00 13.13 H new ATOM 0 HA LYS A 8 -4.963 -8.981 5.580 1.00 61.35 H new ATOM 0 HB2 LYS A 8 -6.276 -6.370 4.775 1.00 33.42 H new ATOM 0 HB3 LYS A 8 -5.524 -6.765 6.308 1.00 33.42 H new ATOM 0 HG2 LYS A 8 -4.148 -6.301 3.650 1.00 53.22 H new ATOM 0 HG3 LYS A 8 -4.048 -5.309 5.091 1.00 53.22 H new ATOM 0 HD2 LYS A 8 -2.971 -7.215 6.303 1.00 62.01 H new ATOM 0 HD3 LYS A 8 -3.030 -8.166 4.831 1.00 62.01 H new ATOM 0 HE2 LYS A 8 -1.600 -6.543 3.672 1.00 44.33 H new ATOM 0 HE3 LYS A 8 -1.621 -5.481 5.066 1.00 44.33 H new ATOM 0 HZ1 LYS A 8 0.398 -6.791 4.993 1.00 53.21 H new ATOM 0 HZ2 LYS A 8 -0.513 -7.207 6.364 1.00 53.21 H new ATOM 0 HZ3 LYS A 8 -0.493 -8.236 5.013 1.00 53.21 H new ATOM 132 N VAL A 9 -7.977 -8.315 4.349 1.00 41.24 N ATOM 133 CA VAL A 9 -9.398 -8.620 4.483 1.00 40.54 C ATOM 134 C VAL A 9 -9.622 -10.125 4.503 1.00 11.22 C ATOM 135 O VAL A 9 -10.377 -10.641 5.325 1.00 72.40 O ATOM 136 CB VAL A 9 -10.229 -8.006 3.336 1.00 60.30 C ATOM 137 CG1 VAL A 9 -11.713 -8.272 3.549 1.00 4.40 C ATOM 138 CG2 VAL A 9 -9.964 -6.515 3.217 1.00 10.43 C ATOM 0 H VAL A 9 -7.749 -7.714 3.557 1.00 41.24 H new ATOM 0 HA VAL A 9 -9.728 -8.182 5.425 1.00 40.54 H new ATOM 0 HB VAL A 9 -9.925 -8.480 2.403 1.00 60.30 H new ATOM 0 HG11 VAL A 9 -12.283 -7.832 2.731 1.00 4.40 H new ATOM 0 HG12 VAL A 9 -11.890 -9.347 3.577 1.00 4.40 H new ATOM 0 HG13 VAL A 9 -12.031 -7.828 4.492 1.00 4.40 H new ATOM 0 HG21 VAL A 9 -10.560 -6.103 2.403 1.00 10.43 H new ATOM 0 HG22 VAL A 9 -10.235 -6.022 4.150 1.00 10.43 H new ATOM 0 HG23 VAL A 9 -8.906 -6.349 3.013 1.00 10.43 H new ATOM 148 N TYR A 10 -8.941 -10.826 3.611 1.00 73.14 N ATOM 149 CA TYR A 10 -9.058 -12.270 3.542 1.00 61.40 C ATOM 150 C TYR A 10 -8.555 -12.887 4.841 1.00 15.51 C ATOM 151 O TYR A 10 -9.241 -13.698 5.451 1.00 31.43 O ATOM 152 CB TYR A 10 -8.257 -12.839 2.365 1.00 12.10 C ATOM 153 CG TYR A 10 -8.719 -12.392 0.989 1.00 72.52 C ATOM 154 CD1 TYR A 10 -9.872 -11.632 0.816 1.00 23.04 C ATOM 155 CD2 TYR A 10 -7.993 -12.742 -0.142 1.00 54.12 C ATOM 156 CE1 TYR A 10 -10.286 -11.237 -0.444 1.00 23.33 C ATOM 157 CE2 TYR A 10 -8.402 -12.354 -1.403 1.00 2.01 C ATOM 158 CZ TYR A 10 -9.548 -11.601 -1.549 1.00 24.15 C ATOM 159 OH TYR A 10 -9.961 -11.221 -2.809 1.00 63.13 O ATOM 0 H TYR A 10 -8.304 -10.418 2.927 1.00 73.14 H new ATOM 0 HA TYR A 10 -10.109 -12.517 3.393 1.00 61.40 H new ATOM 0 HB2 TYR A 10 -7.211 -12.557 2.488 1.00 12.10 H new ATOM 0 HB3 TYR A 10 -8.301 -13.927 2.409 1.00 12.10 H new ATOM 0 HD1 TYR A 10 -10.454 -11.346 1.680 1.00 23.04 H new ATOM 0 HD2 TYR A 10 -7.092 -13.328 -0.034 1.00 54.12 H new ATOM 0 HE1 TYR A 10 -11.183 -10.647 -0.561 1.00 23.33 H new ATOM 0 HE2 TYR A 10 -7.827 -12.639 -2.271 1.00 2.01 H new ATOM 0 HH TYR A 10 -9.328 -11.558 -3.476 1.00 63.13 H new ATOM 169 N GLN A 11 -7.372 -12.444 5.271 1.00 14.15 N ATOM 170 CA GLN A 11 -6.676 -13.024 6.420 1.00 11.33 C ATOM 171 C GLN A 11 -7.556 -13.138 7.652 1.00 3.53 C ATOM 172 O GLN A 11 -7.595 -14.187 8.299 1.00 1.45 O ATOM 173 CB GLN A 11 -5.421 -12.220 6.768 1.00 54.10 C ATOM 174 CG GLN A 11 -4.264 -12.445 5.811 1.00 54.53 C ATOM 175 CD GLN A 11 -4.000 -13.912 5.533 1.00 34.42 C ATOM 176 OE1 GLN A 11 -3.249 -14.568 6.252 1.00 0.44 O ATOM 177 NE2 GLN A 11 -4.601 -14.430 4.473 1.00 40.35 N ATOM 0 H GLN A 11 -6.870 -11.673 4.832 1.00 14.15 H new ATOM 0 HA GLN A 11 -6.396 -14.033 6.118 1.00 11.33 H new ATOM 0 HB2 GLN A 11 -5.671 -11.159 6.777 1.00 54.10 H new ATOM 0 HB3 GLN A 11 -5.102 -12.481 7.777 1.00 54.10 H new ATOM 0 HG2 GLN A 11 -4.473 -11.935 4.871 1.00 54.53 H new ATOM 0 HG3 GLN A 11 -3.364 -11.992 6.226 1.00 54.53 H new ATOM 0 HE21 GLN A 11 -5.217 -13.851 3.902 1.00 40.35 H new ATOM 0 HE22 GLN A 11 -4.448 -15.408 4.227 1.00 40.35 H new ATOM 186 N LEU A 12 -8.260 -12.072 7.975 1.00 60.21 N ATOM 187 CA LEU A 12 -9.059 -12.051 9.184 1.00 71.21 C ATOM 188 C LEU A 12 -10.466 -12.569 8.937 1.00 23.34 C ATOM 189 O LEU A 12 -10.954 -13.402 9.691 1.00 24.32 O ATOM 190 CB LEU A 12 -9.077 -10.654 9.820 1.00 41.24 C ATOM 191 CG LEU A 12 -8.801 -9.475 8.886 1.00 72.43 C ATOM 192 CD1 LEU A 12 -10.045 -9.087 8.108 1.00 60.02 C ATOM 193 CD2 LEU A 12 -8.274 -8.291 9.677 1.00 15.32 C ATOM 0 H LEU A 12 -8.296 -11.215 7.423 1.00 60.21 H new ATOM 0 HA LEU A 12 -8.587 -12.729 9.895 1.00 71.21 H new ATOM 0 HB2 LEU A 12 -10.053 -10.502 10.282 1.00 41.24 H new ATOM 0 HB3 LEU A 12 -8.338 -10.635 10.621 1.00 41.24 H new ATOM 0 HG LEU A 12 -8.042 -9.782 8.167 1.00 72.43 H new ATOM 0 HD11 LEU A 12 -9.817 -8.246 7.453 1.00 60.02 H new ATOM 0 HD12 LEU A 12 -10.378 -9.934 7.508 1.00 60.02 H new ATOM 0 HD13 LEU A 12 -10.835 -8.802 8.803 1.00 60.02 H new ATOM 0 HD21 LEU A 12 -8.081 -7.458 9.001 1.00 15.32 H new ATOM 0 HD22 LEU A 12 -9.013 -7.992 10.420 1.00 15.32 H new ATOM 0 HD23 LEU A 12 -7.348 -8.572 10.179 1.00 15.32 H new ATOM 205 N LEU A 13 -11.102 -12.120 7.865 1.00 60.23 N ATOM 206 CA LEU A 13 -12.492 -12.486 7.610 1.00 30.34 C ATOM 207 C LEU A 13 -12.669 -13.985 7.427 1.00 33.54 C ATOM 208 O LEU A 13 -13.602 -14.571 7.980 1.00 53.44 O ATOM 209 CB LEU A 13 -13.044 -11.755 6.394 1.00 53.45 C ATOM 210 CG LEU A 13 -13.330 -10.275 6.610 1.00 31.51 C ATOM 211 CD1 LEU A 13 -14.085 -9.719 5.419 1.00 45.10 C ATOM 212 CD2 LEU A 13 -14.122 -10.076 7.890 1.00 0.24 C ATOM 0 H LEU A 13 -10.686 -11.508 7.163 1.00 60.23 H new ATOM 0 HA LEU A 13 -13.054 -12.183 8.494 1.00 30.34 H new ATOM 0 HB2 LEU A 13 -12.333 -11.857 5.574 1.00 53.45 H new ATOM 0 HB3 LEU A 13 -13.965 -12.246 6.080 1.00 53.45 H new ATOM 0 HG LEU A 13 -12.387 -9.737 6.706 1.00 31.51 H new ATOM 0 HD11 LEU A 13 -14.287 -8.660 5.579 1.00 45.10 H new ATOM 0 HD12 LEU A 13 -13.484 -9.842 4.518 1.00 45.10 H new ATOM 0 HD13 LEU A 13 -15.027 -10.255 5.303 1.00 45.10 H new ATOM 0 HD21 LEU A 13 -14.320 -9.014 8.034 1.00 0.24 H new ATOM 0 HD22 LEU A 13 -15.067 -10.616 7.821 1.00 0.24 H new ATOM 0 HD23 LEU A 13 -13.548 -10.456 8.736 1.00 0.24 H new ATOM 224 N LYS A 14 -11.788 -14.605 6.656 1.00 24.32 N ATOM 225 CA LYS A 14 -11.864 -16.050 6.441 1.00 73.31 C ATOM 226 C LYS A 14 -11.655 -16.788 7.760 1.00 24.15 C ATOM 227 O LYS A 14 -12.187 -17.876 7.971 1.00 43.13 O ATOM 228 CB LYS A 14 -10.850 -16.512 5.371 1.00 62.31 C ATOM 229 CG LYS A 14 -9.388 -16.541 5.820 1.00 13.22 C ATOM 230 CD LYS A 14 -9.030 -17.817 6.572 1.00 54.52 C ATOM 231 CE LYS A 14 -7.604 -17.771 7.099 1.00 64.33 C ATOM 232 NZ LYS A 14 -7.294 -18.930 7.980 1.00 63.04 N ATOM 0 H LYS A 14 -11.019 -14.141 6.172 1.00 24.32 H new ATOM 0 HA LYS A 14 -12.859 -16.291 6.066 1.00 73.31 H new ATOM 0 HB2 LYS A 14 -11.130 -17.511 5.038 1.00 62.31 H new ATOM 0 HB3 LYS A 14 -10.934 -15.853 4.507 1.00 62.31 H new ATOM 0 HG2 LYS A 14 -8.742 -16.445 4.947 1.00 13.22 H new ATOM 0 HG3 LYS A 14 -9.191 -15.680 6.459 1.00 13.22 H new ATOM 0 HD2 LYS A 14 -9.722 -17.957 7.403 1.00 54.52 H new ATOM 0 HD3 LYS A 14 -9.147 -18.676 5.911 1.00 54.52 H new ATOM 0 HE2 LYS A 14 -6.908 -17.758 6.260 1.00 64.33 H new ATOM 0 HE3 LYS A 14 -7.453 -16.845 7.653 1.00 64.33 H new ATOM 0 HZ1 LYS A 14 -6.312 -18.858 8.316 1.00 63.04 H new ATOM 0 HZ2 LYS A 14 -7.940 -18.929 8.795 1.00 63.04 H new ATOM 0 HZ3 LYS A 14 -7.413 -19.814 7.445 1.00 63.04 H new ATOM 246 N ASP A 15 -10.900 -16.166 8.657 1.00 62.33 N ATOM 247 CA ASP A 15 -10.573 -16.773 9.939 1.00 32.41 C ATOM 248 C ASP A 15 -11.771 -16.708 10.877 1.00 44.02 C ATOM 249 O ASP A 15 -12.003 -17.612 11.682 1.00 61.20 O ATOM 250 CB ASP A 15 -9.377 -16.062 10.564 1.00 51.40 C ATOM 251 CG ASP A 15 -8.768 -16.851 11.700 1.00 52.20 C ATOM 252 OD1 ASP A 15 -7.944 -17.746 11.424 1.00 32.21 O ATOM 253 OD2 ASP A 15 -9.105 -16.576 12.869 1.00 23.13 O ATOM 0 H ASP A 15 -10.502 -15.237 8.518 1.00 62.33 H new ATOM 0 HA ASP A 15 -10.316 -17.820 9.775 1.00 32.41 H new ATOM 0 HB2 ASP A 15 -8.620 -15.888 9.799 1.00 51.40 H new ATOM 0 HB3 ASP A 15 -9.690 -15.084 10.931 1.00 51.40 H new ATOM 258 N GLN A 16 -12.541 -15.631 10.748 1.00 43.41 N ATOM 259 CA GLN A 16 -13.773 -15.460 11.518 1.00 3.31 C ATOM 260 C GLN A 16 -14.869 -16.335 10.941 1.00 72.43 C ATOM 261 O GLN A 16 -15.991 -16.373 11.449 1.00 24.52 O ATOM 262 CB GLN A 16 -14.242 -14.003 11.496 1.00 44.14 C ATOM 263 CG GLN A 16 -13.119 -13.005 11.542 1.00 71.12 C ATOM 264 CD GLN A 16 -13.524 -11.699 12.186 1.00 70.43 C ATOM 265 OE1 GLN A 16 -14.351 -11.665 13.093 1.00 60.12 O ATOM 266 NE2 GLN A 16 -12.964 -10.615 11.693 1.00 73.44 N ATOM 0 H GLN A 16 -12.333 -14.859 10.114 1.00 43.41 H new ATOM 0 HA GLN A 16 -13.564 -15.748 12.548 1.00 3.31 H new ATOM 0 HB2 GLN A 16 -14.830 -13.834 10.594 1.00 44.14 H new ATOM 0 HB3 GLN A 16 -14.904 -13.831 12.345 1.00 44.14 H new ATOM 0 HG2 GLN A 16 -12.281 -13.432 12.093 1.00 71.12 H new ATOM 0 HG3 GLN A 16 -12.768 -12.812 10.528 1.00 71.12 H new ATOM 0 HE21 GLN A 16 -12.281 -10.691 10.939 1.00 73.44 H new ATOM 0 HE22 GLN A 16 -13.213 -9.698 12.065 1.00 73.44 H new ATOM 275 N GLY A 17 -14.545 -17.012 9.856 1.00 21.32 N ATOM 276 CA GLY A 17 -15.502 -17.858 9.213 1.00 60.01 C ATOM 277 C GLY A 17 -16.330 -17.092 8.223 1.00 51.43 C ATOM 278 O GLY A 17 -17.557 -17.179 8.225 1.00 52.43 O ATOM 0 H GLY A 17 -13.627 -16.986 9.411 1.00 21.32 H new ATOM 0 HA2 GLY A 17 -14.987 -18.673 8.705 1.00 60.01 H new ATOM 0 HA3 GLY A 17 -16.153 -18.310 9.962 1.00 60.01 H new ATOM 282 N CYS A 18 -15.675 -16.281 7.413 1.00 3.43 N ATOM 283 CA CYS A 18 -16.371 -15.638 6.323 1.00 72.10 C ATOM 284 C CYS A 18 -15.711 -15.947 4.990 1.00 62.35 C ATOM 285 O CYS A 18 -14.491 -15.904 4.870 1.00 72.51 O ATOM 286 CB CYS A 18 -16.415 -14.127 6.516 1.00 55.35 C ATOM 287 SG CYS A 18 -17.782 -13.339 5.611 1.00 40.52 S ATOM 0 H CYS A 18 -14.683 -16.057 7.489 1.00 3.43 H new ATOM 0 HA CYS A 18 -17.388 -16.031 6.319 1.00 72.10 H new ATOM 0 HB2 CYS A 18 -16.513 -13.904 7.578 1.00 55.35 H new ATOM 0 HB3 CYS A 18 -15.470 -13.696 6.185 1.00 55.35 H new ATOM 292 N GLU A 19 -16.521 -16.267 3.994 1.00 55.24 N ATOM 293 CA GLU A 19 -16.032 -16.376 2.620 1.00 12.52 C ATOM 294 C GLU A 19 -16.836 -15.446 1.712 1.00 61.11 C ATOM 295 O GLU A 19 -16.543 -15.299 0.523 1.00 32.42 O ATOM 296 CB GLU A 19 -16.130 -17.822 2.111 1.00 2.40 C ATOM 297 CG GLU A 19 -17.551 -18.286 1.832 1.00 10.23 C ATOM 298 CD GLU A 19 -18.374 -18.408 3.091 1.00 65.30 C ATOM 299 OE1 GLU A 19 -18.906 -17.380 3.542 1.00 11.22 O ATOM 300 OE2 GLU A 19 -18.469 -19.522 3.646 1.00 3.54 O ATOM 0 H GLU A 19 -17.517 -16.456 4.105 1.00 55.24 H new ATOM 0 HA GLU A 19 -14.982 -16.083 2.604 1.00 12.52 H new ATOM 0 HB2 GLU A 19 -15.543 -17.915 1.197 1.00 2.40 H new ATOM 0 HB3 GLU A 19 -15.680 -18.487 2.848 1.00 2.40 H new ATOM 0 HG2 GLU A 19 -18.033 -17.583 1.153 1.00 10.23 H new ATOM 0 HG3 GLU A 19 -17.522 -19.250 1.325 1.00 10.23 H new ATOM 307 N ASP A 20 -17.840 -14.807 2.298 1.00 54.44 N ATOM 308 CA ASP A 20 -18.767 -13.967 1.555 1.00 4.04 C ATOM 309 C ASP A 20 -18.316 -12.510 1.574 1.00 1.15 C ATOM 310 O ASP A 20 -18.749 -11.714 2.417 1.00 13.11 O ATOM 311 CB ASP A 20 -20.180 -14.106 2.136 1.00 24.31 C ATOM 312 CG ASP A 20 -21.216 -13.246 1.430 1.00 5.23 C ATOM 313 OD1 ASP A 20 -20.984 -12.840 0.275 1.00 2.42 O ATOM 314 OD2 ASP A 20 -22.280 -12.986 2.036 1.00 30.01 O ATOM 0 H ASP A 20 -18.033 -14.857 3.298 1.00 54.44 H new ATOM 0 HA ASP A 20 -18.781 -14.298 0.516 1.00 4.04 H new ATOM 0 HB2 ASP A 20 -20.487 -15.150 2.078 1.00 24.31 H new ATOM 0 HB3 ASP A 20 -20.157 -13.839 3.192 1.00 24.31 H new ATOM 319 N PHE A 21 -17.391 -12.198 0.676 1.00 73.34 N ATOM 320 CA PHE A 21 -16.878 -10.839 0.494 1.00 32.51 C ATOM 321 C PHE A 21 -16.030 -10.758 -0.771 1.00 71.31 C ATOM 322 O PHE A 21 -15.598 -11.784 -1.304 1.00 72.23 O ATOM 323 CB PHE A 21 -16.053 -10.388 1.711 1.00 31.32 C ATOM 324 CG PHE A 21 -15.049 -11.401 2.201 1.00 72.23 C ATOM 325 CD1 PHE A 21 -13.765 -11.454 1.681 1.00 1.34 C ATOM 326 CD2 PHE A 21 -15.394 -12.295 3.200 1.00 2.20 C ATOM 327 CE1 PHE A 21 -12.851 -12.379 2.152 1.00 20.35 C ATOM 328 CE2 PHE A 21 -14.489 -13.217 3.668 1.00 4.30 C ATOM 329 CZ PHE A 21 -13.215 -13.263 3.147 1.00 73.00 C ATOM 0 H PHE A 21 -16.970 -12.882 0.047 1.00 73.34 H new ATOM 0 HA PHE A 21 -17.732 -10.169 0.395 1.00 32.51 H new ATOM 0 HB2 PHE A 21 -15.526 -9.469 1.455 1.00 31.32 H new ATOM 0 HB3 PHE A 21 -16.735 -10.148 2.527 1.00 31.32 H new ATOM 0 HD1 PHE A 21 -13.476 -10.766 0.900 1.00 1.34 H new ATOM 0 HD2 PHE A 21 -16.389 -12.267 3.618 1.00 2.20 H new ATOM 0 HE1 PHE A 21 -11.853 -12.409 1.741 1.00 20.35 H new ATOM 0 HE2 PHE A 21 -14.778 -13.908 4.447 1.00 4.30 H new ATOM 0 HZ PHE A 21 -12.504 -13.988 3.516 1.00 73.00 H new ATOM 339 N GLY A 22 -15.810 -9.543 -1.255 1.00 15.11 N ATOM 340 CA GLY A 22 -15.004 -9.348 -2.442 1.00 51.10 C ATOM 341 C GLY A 22 -15.010 -7.904 -2.906 1.00 55.42 C ATOM 342 O GLY A 22 -15.812 -7.100 -2.434 1.00 0.31 O ATOM 0 H GLY A 22 -16.178 -8.685 -0.844 1.00 15.11 H new ATOM 0 HA2 GLY A 22 -13.979 -9.658 -2.239 1.00 51.10 H new ATOM 0 HA3 GLY A 22 -15.378 -9.987 -3.242 1.00 51.10 H new ATOM 346 N THR A 23 -14.113 -7.574 -3.821 1.00 55.41 N ATOM 347 CA THR A 23 -14.024 -6.225 -4.360 1.00 12.15 C ATOM 348 C THR A 23 -14.805 -6.095 -5.663 1.00 4.11 C ATOM 349 O THR A 23 -14.956 -7.069 -6.404 1.00 32.25 O ATOM 350 CB THR A 23 -12.558 -5.835 -4.624 1.00 4.52 C ATOM 351 OG1 THR A 23 -11.868 -6.924 -5.254 1.00 61.55 O ATOM 352 CG2 THR A 23 -11.850 -5.460 -3.337 1.00 3.15 C ATOM 0 H THR A 23 -13.431 -8.226 -4.209 1.00 55.41 H new ATOM 0 HA THR A 23 -14.454 -5.556 -3.615 1.00 12.15 H new ATOM 0 HB THR A 23 -12.553 -4.967 -5.284 1.00 4.52 H new ATOM 0 HG1 THR A 23 -10.937 -6.669 -5.421 1.00 61.55 H new ATOM 0 HG21 THR A 23 -10.817 -5.189 -3.556 1.00 3.15 H new ATOM 0 HG22 THR A 23 -12.357 -4.612 -2.876 1.00 3.15 H new ATOM 0 HG23 THR A 23 -11.866 -6.308 -2.653 1.00 3.15 H new ATOM 360 N LYS A 24 -15.317 -4.901 -5.931 1.00 3.23 N ATOM 361 CA LYS A 24 -15.917 -4.604 -7.222 1.00 32.22 C ATOM 362 C LYS A 24 -15.397 -3.269 -7.732 1.00 72.01 C ATOM 363 O LYS A 24 -15.141 -2.350 -6.950 1.00 21.13 O ATOM 364 CB LYS A 24 -17.460 -4.616 -7.150 1.00 13.32 C ATOM 365 CG LYS A 24 -18.108 -3.442 -6.415 1.00 33.10 C ATOM 366 CD LYS A 24 -18.367 -2.265 -7.348 1.00 65.21 C ATOM 367 CE LYS A 24 -19.544 -1.422 -6.880 1.00 11.34 C ATOM 368 NZ LYS A 24 -20.835 -2.140 -7.048 1.00 30.02 N ATOM 0 H LYS A 24 -15.328 -4.124 -5.271 1.00 3.23 H new ATOM 0 HA LYS A 24 -15.630 -5.386 -7.925 1.00 32.22 H new ATOM 0 HB2 LYS A 24 -17.851 -4.642 -8.167 1.00 13.32 H new ATOM 0 HB3 LYS A 24 -17.774 -5.540 -6.664 1.00 13.32 H new ATOM 0 HG2 LYS A 24 -19.048 -3.766 -5.969 1.00 33.10 H new ATOM 0 HG3 LYS A 24 -17.461 -3.123 -5.598 1.00 33.10 H new ATOM 0 HD2 LYS A 24 -17.474 -1.643 -7.405 1.00 65.21 H new ATOM 0 HD3 LYS A 24 -18.562 -2.635 -8.355 1.00 65.21 H new ATOM 0 HE2 LYS A 24 -19.408 -1.158 -5.831 1.00 11.34 H new ATOM 0 HE3 LYS A 24 -19.570 -0.489 -7.443 1.00 11.34 H new ATOM 0 HZ1 LYS A 24 -21.389 -2.069 -6.171 1.00 30.02 H new ATOM 0 HZ2 LYS A 24 -21.370 -1.713 -7.831 1.00 30.02 H new ATOM 0 HZ3 LYS A 24 -20.650 -3.141 -7.260 1.00 30.02 H new ATOM 382 N CYS A 25 -15.216 -3.174 -9.035 1.00 64.42 N ATOM 383 CA CYS A 25 -14.765 -1.942 -9.646 1.00 42.33 C ATOM 384 C CYS A 25 -15.622 -1.619 -10.860 1.00 70.14 C ATOM 385 O CYS A 25 -15.397 -2.135 -11.956 1.00 11.33 O ATOM 386 CB CYS A 25 -13.289 -2.045 -10.035 1.00 55.24 C ATOM 387 SG CYS A 25 -12.896 -3.467 -11.081 1.00 72.10 S ATOM 0 H CYS A 25 -15.375 -3.938 -9.691 1.00 64.42 H new ATOM 0 HA CYS A 25 -14.868 -1.132 -8.923 1.00 42.33 H new ATOM 0 HB2 CYS A 25 -12.998 -1.133 -10.556 1.00 55.24 H new ATOM 0 HB3 CYS A 25 -12.688 -2.099 -9.127 1.00 55.24 H new ATOM 0 HG CYS A 25 -13.861 -3.661 -11.930 1.00 72.10 H new ATOM 393 N VAL A 26 -16.629 -0.793 -10.649 1.00 23.32 N ATOM 394 CA VAL A 26 -17.519 -0.393 -11.721 1.00 45.14 C ATOM 395 C VAL A 26 -17.315 1.082 -12.029 1.00 73.23 C ATOM 396 O VAL A 26 -17.066 1.879 -11.128 1.00 41.21 O ATOM 397 CB VAL A 26 -19.001 -0.662 -11.361 1.00 52.00 C ATOM 398 CG1 VAL A 26 -19.433 0.159 -10.154 1.00 35.01 C ATOM 399 CG2 VAL A 26 -19.905 -0.389 -12.552 1.00 21.01 C ATOM 0 H VAL A 26 -16.851 -0.385 -9.741 1.00 23.32 H new ATOM 0 HA VAL A 26 -17.280 -0.989 -12.602 1.00 45.14 H new ATOM 0 HB VAL A 26 -19.094 -1.716 -11.098 1.00 52.00 H new ATOM 0 HG11 VAL A 26 -20.478 -0.052 -9.926 1.00 35.01 H new ATOM 0 HG12 VAL A 26 -18.814 -0.103 -9.296 1.00 35.01 H new ATOM 0 HG13 VAL A 26 -19.317 1.220 -10.375 1.00 35.01 H new ATOM 0 HG21 VAL A 26 -20.941 -0.585 -12.275 1.00 21.01 H new ATOM 0 HG22 VAL A 26 -19.801 0.653 -12.856 1.00 21.01 H new ATOM 0 HG23 VAL A 26 -19.622 -1.039 -13.380 1.00 21.01 H new ATOM 409 N ILE A 27 -17.380 1.447 -13.293 1.00 14.24 N ATOM 410 CA ILE A 27 -17.231 2.838 -13.655 1.00 42.33 C ATOM 411 C ILE A 27 -18.528 3.589 -13.432 1.00 63.32 C ATOM 412 O ILE A 27 -19.587 3.192 -13.917 1.00 44.01 O ATOM 413 CB ILE A 27 -16.776 3.021 -15.114 1.00 15.04 C ATOM 414 CG1 ILE A 27 -15.353 2.496 -15.289 1.00 34.31 C ATOM 415 CG2 ILE A 27 -16.855 4.488 -15.511 1.00 45.32 C ATOM 416 CD1 ILE A 27 -14.839 2.623 -16.703 1.00 60.45 C ATOM 0 H ILE A 27 -17.533 0.810 -14.075 1.00 14.24 H new ATOM 0 HA ILE A 27 -16.453 3.246 -13.010 1.00 42.33 H new ATOM 0 HB ILE A 27 -17.440 2.452 -15.764 1.00 15.04 H new ATOM 0 HG12 ILE A 27 -14.688 3.039 -14.618 1.00 34.31 H new ATOM 0 HG13 ILE A 27 -15.321 1.448 -14.991 1.00 34.31 H new ATOM 0 HG21 ILE A 27 -16.530 4.603 -16.545 1.00 45.32 H new ATOM 0 HG22 ILE A 27 -17.883 4.837 -15.412 1.00 45.32 H new ATOM 0 HG23 ILE A 27 -16.208 5.076 -14.860 1.00 45.32 H new ATOM 0 HD11 ILE A 27 -13.823 2.232 -16.757 1.00 60.45 H new ATOM 0 HD12 ILE A 27 -15.483 2.057 -17.376 1.00 60.45 H new ATOM 0 HD13 ILE A 27 -14.840 3.672 -16.998 1.00 60.45 H new ATOM 428 N GLU A 28 -18.433 4.659 -12.677 1.00 61.45 N ATOM 429 CA GLU A 28 -19.553 5.545 -12.465 1.00 43.20 C ATOM 430 C GLU A 28 -19.259 6.866 -13.153 1.00 64.32 C ATOM 431 O GLU A 28 -18.647 7.767 -12.578 1.00 53.05 O ATOM 432 CB GLU A 28 -19.821 5.728 -10.971 1.00 63.31 C ATOM 433 CG GLU A 28 -20.202 4.425 -10.282 1.00 31.20 C ATOM 434 CD GLU A 28 -20.847 4.630 -8.927 1.00 52.53 C ATOM 435 OE1 GLU A 28 -21.909 5.281 -8.865 1.00 63.21 O ATOM 436 OE2 GLU A 28 -20.309 4.126 -7.918 1.00 34.54 O ATOM 0 H GLU A 28 -17.579 4.939 -12.194 1.00 61.45 H new ATOM 0 HA GLU A 28 -20.458 5.116 -12.895 1.00 43.20 H new ATOM 0 HB2 GLU A 28 -18.932 6.141 -10.494 1.00 63.31 H new ATOM 0 HB3 GLU A 28 -20.622 6.454 -10.835 1.00 63.31 H new ATOM 0 HG2 GLU A 28 -20.887 3.870 -10.923 1.00 31.20 H new ATOM 0 HG3 GLU A 28 -19.310 3.811 -10.163 1.00 31.20 H new ATOM 443 N GLU A 29 -19.643 6.933 -14.418 1.00 61.14 N ATOM 444 CA GLU A 29 -19.319 8.067 -15.267 1.00 72.54 C ATOM 445 C GLU A 29 -20.101 9.309 -14.865 1.00 11.53 C ATOM 446 O GLU A 29 -21.214 9.226 -14.341 1.00 72.21 O ATOM 447 CB GLU A 29 -19.574 7.731 -16.746 1.00 31.32 C ATOM 448 CG GLU A 29 -21.042 7.549 -17.123 1.00 40.23 C ATOM 449 CD GLU A 29 -21.709 6.390 -16.409 1.00 41.23 C ATOM 450 OE1 GLU A 29 -21.138 5.280 -16.403 1.00 20.21 O ATOM 451 OE2 GLU A 29 -22.799 6.587 -15.831 1.00 43.21 O ATOM 0 H GLU A 29 -20.186 6.205 -14.883 1.00 61.14 H new ATOM 0 HA GLU A 29 -18.259 8.282 -15.134 1.00 72.54 H new ATOM 0 HB2 GLU A 29 -19.152 8.526 -17.361 1.00 31.32 H new ATOM 0 HB3 GLU A 29 -19.035 6.816 -16.993 1.00 31.32 H new ATOM 0 HG2 GLU A 29 -21.584 8.467 -16.895 1.00 40.23 H new ATOM 0 HG3 GLU A 29 -21.116 7.394 -18.199 1.00 40.23 H new ATOM 458 N VAL A 30 -19.498 10.459 -15.093 1.00 32.41 N ATOM 459 CA VAL A 30 -20.147 11.721 -14.822 1.00 14.32 C ATOM 460 C VAL A 30 -20.443 12.443 -16.130 1.00 5.54 C ATOM 461 O VAL A 30 -19.531 12.883 -16.835 1.00 10.21 O ATOM 462 CB VAL A 30 -19.294 12.606 -13.887 1.00 11.30 C ATOM 463 CG1 VAL A 30 -19.898 13.989 -13.734 1.00 43.11 C ATOM 464 CG2 VAL A 30 -19.156 11.944 -12.526 1.00 1.00 C ATOM 0 H VAL A 30 -18.553 10.543 -15.468 1.00 32.41 H new ATOM 0 HA VAL A 30 -21.087 11.519 -14.309 1.00 14.32 H new ATOM 0 HB VAL A 30 -18.307 12.717 -14.336 1.00 11.30 H new ATOM 0 HG11 VAL A 30 -19.274 14.587 -13.070 1.00 43.11 H new ATOM 0 HG12 VAL A 30 -19.955 14.471 -14.710 1.00 43.11 H new ATOM 0 HG13 VAL A 30 -20.899 13.904 -13.312 1.00 43.11 H new ATOM 0 HG21 VAL A 30 -18.553 12.576 -11.874 1.00 1.00 H new ATOM 0 HG22 VAL A 30 -20.144 11.807 -12.086 1.00 1.00 H new ATOM 0 HG23 VAL A 30 -18.672 10.974 -12.641 1.00 1.00 H new ATOM 474 N LYS A 31 -21.727 12.527 -16.452 1.00 62.23 N ATOM 475 CA LYS A 31 -22.192 13.129 -17.697 1.00 55.14 C ATOM 476 C LYS A 31 -21.724 14.576 -17.835 1.00 31.04 C ATOM 477 O LYS A 31 -21.594 15.300 -16.843 1.00 54.25 O ATOM 478 CB LYS A 31 -23.718 13.076 -17.757 1.00 31.24 C ATOM 479 CG LYS A 31 -24.381 13.616 -16.500 1.00 32.50 C ATOM 480 CD LYS A 31 -25.889 13.688 -16.637 1.00 33.42 C ATOM 481 CE LYS A 31 -26.539 14.122 -15.331 1.00 45.51 C ATOM 482 NZ LYS A 31 -25.968 15.395 -14.813 1.00 54.03 N ATOM 0 H LYS A 31 -22.478 12.179 -15.856 1.00 62.23 H new ATOM 0 HA LYS A 31 -21.766 12.558 -18.522 1.00 55.14 H new ATOM 0 HB2 LYS A 31 -24.062 13.649 -18.618 1.00 31.24 H new ATOM 0 HB3 LYS A 31 -24.034 12.045 -17.914 1.00 31.24 H new ATOM 0 HG2 LYS A 31 -24.124 12.980 -15.653 1.00 32.50 H new ATOM 0 HG3 LYS A 31 -23.989 14.610 -16.282 1.00 32.50 H new ATOM 0 HD2 LYS A 31 -26.152 14.390 -17.428 1.00 33.42 H new ATOM 0 HD3 LYS A 31 -26.277 12.714 -16.933 1.00 33.42 H new ATOM 0 HE2 LYS A 31 -27.611 14.243 -15.484 1.00 45.51 H new ATOM 0 HE3 LYS A 31 -26.410 13.338 -14.585 1.00 45.51 H new ATOM 0 HZ1 LYS A 31 -26.558 15.748 -14.033 1.00 54.03 H new ATOM 0 HZ2 LYS A 31 -25.002 15.227 -14.467 1.00 54.03 H new ATOM 0 HZ3 LYS A 31 -25.944 16.101 -15.576 1.00 54.03 H new ATOM 496 N SER A 32 -21.464 14.984 -19.065 1.00 1.33 N ATOM 497 CA SER A 32 -21.068 16.350 -19.352 1.00 24.45 C ATOM 498 C SER A 32 -22.291 17.263 -19.383 1.00 34.22 C ATOM 499 O SER A 32 -23.414 16.800 -19.592 1.00 24.25 O ATOM 500 CB SER A 32 -20.325 16.393 -20.688 1.00 65.33 C ATOM 501 OG SER A 32 -21.012 15.636 -21.675 1.00 53.14 O ATOM 0 H SER A 32 -21.521 14.382 -19.887 1.00 1.33 H new ATOM 0 HA SER A 32 -20.403 16.706 -18.565 1.00 24.45 H new ATOM 0 HB2 SER A 32 -20.226 17.426 -21.020 1.00 65.33 H new ATOM 0 HB3 SER A 32 -19.316 16.001 -20.560 1.00 65.33 H new ATOM 0 HG SER A 32 -21.528 16.239 -22.249 1.00 53.14 H new ATOM 507 N SER A 33 -22.076 18.552 -19.162 1.00 51.45 N ATOM 508 CA SER A 33 -23.161 19.522 -19.185 1.00 23.44 C ATOM 509 C SER A 33 -23.733 19.662 -20.592 1.00 52.02 C ATOM 510 O SER A 33 -24.936 19.850 -20.772 1.00 24.03 O ATOM 511 CB SER A 33 -22.660 20.871 -18.679 1.00 50.40 C ATOM 512 OG SER A 33 -22.059 20.740 -17.402 1.00 13.04 O ATOM 0 H SER A 33 -21.158 18.951 -18.964 1.00 51.45 H new ATOM 0 HA SER A 33 -23.957 19.169 -18.530 1.00 23.44 H new ATOM 0 HB2 SER A 33 -21.939 21.284 -19.384 1.00 50.40 H new ATOM 0 HB3 SER A 33 -23.491 21.575 -18.624 1.00 50.40 H new ATOM 0 HG SER A 33 -21.743 21.616 -17.098 1.00 13.04 H new ATOM 518 N HIS A 34 -22.868 19.558 -21.589 1.00 72.53 N ATOM 519 CA HIS A 34 -23.296 19.621 -22.978 1.00 64.45 C ATOM 520 C HIS A 34 -23.336 18.218 -23.569 1.00 40.44 C ATOM 521 O HIS A 34 -22.789 17.279 -22.985 1.00 72.43 O ATOM 522 CB HIS A 34 -22.354 20.511 -23.800 1.00 21.51 C ATOM 523 CG HIS A 34 -20.941 20.005 -23.863 1.00 15.23 C ATOM 524 ND1 HIS A 34 -20.463 19.183 -24.860 1.00 51.41 N ATOM 525 CD2 HIS A 34 -19.894 20.220 -23.025 1.00 50.32 C ATOM 526 CE1 HIS A 34 -19.176 18.927 -24.604 1.00 71.41 C ATOM 527 NE2 HIS A 34 -18.781 19.534 -23.500 1.00 10.03 N ATOM 0 H HIS A 34 -21.864 19.429 -21.462 1.00 72.53 H new ATOM 0 HA HIS A 34 -24.295 20.057 -23.013 1.00 64.45 H new ATOM 0 HB2 HIS A 34 -22.744 20.598 -24.814 1.00 21.51 H new ATOM 0 HB3 HIS A 34 -22.352 21.514 -23.373 1.00 21.51 H new ATOM 0 HD1 HIS A 34 -20.997 18.831 -25.654 1.00 51.41 H new ATOM 0 HD2 HIS A 34 -19.921 20.827 -22.132 1.00 50.32 H new ATOM 0 HE1 HIS A 34 -18.543 18.305 -25.219 1.00 71.41 H new ATOM 535 N LYS A 35 -23.975 18.075 -24.721 1.00 60.02 N ATOM 536 CA LYS A 35 -24.019 16.788 -25.398 1.00 12.52 C ATOM 537 C LYS A 35 -22.802 16.632 -26.299 1.00 13.04 C ATOM 538 O LYS A 35 -22.083 17.601 -26.558 1.00 14.13 O ATOM 539 CB LYS A 35 -25.302 16.627 -26.224 1.00 75.11 C ATOM 540 CG LYS A 35 -25.356 17.479 -27.488 1.00 4.04 C ATOM 541 CD LYS A 35 -25.701 18.930 -27.194 1.00 72.25 C ATOM 542 CE LYS A 35 -25.602 19.795 -28.442 1.00 73.12 C ATOM 543 NZ LYS A 35 -26.475 19.305 -29.543 1.00 60.44 N ATOM 0 H LYS A 35 -24.466 18.828 -25.203 1.00 60.02 H new ATOM 0 HA LYS A 35 -24.012 16.010 -24.634 1.00 12.52 H new ATOM 0 HB2 LYS A 35 -25.409 15.579 -26.504 1.00 75.11 H new ATOM 0 HB3 LYS A 35 -26.157 16.878 -25.596 1.00 75.11 H new ATOM 0 HG2 LYS A 35 -24.392 17.433 -27.995 1.00 4.04 H new ATOM 0 HG3 LYS A 35 -26.096 17.064 -28.172 1.00 4.04 H new ATOM 0 HD2 LYS A 35 -26.711 18.989 -26.789 1.00 72.25 H new ATOM 0 HD3 LYS A 35 -25.028 19.316 -26.429 1.00 72.25 H new ATOM 0 HE2 LYS A 35 -25.877 20.820 -28.193 1.00 73.12 H new ATOM 0 HE3 LYS A 35 -24.567 19.817 -28.785 1.00 73.12 H new ATOM 0 HZ1 LYS A 35 -26.491 20.006 -30.312 1.00 60.44 H new ATOM 0 HZ2 LYS A 35 -26.105 18.403 -29.904 1.00 60.44 H new ATOM 0 HZ3 LYS A 35 -27.441 19.164 -29.184 1.00 60.44 H new ATOM 557 N THR A 36 -22.571 15.422 -26.772 1.00 2.42 N ATOM 558 CA THR A 36 -21.445 15.155 -27.646 1.00 4.32 C ATOM 559 C THR A 36 -21.852 15.213 -29.113 1.00 1.14 C ATOM 560 O THR A 36 -23.005 14.961 -29.459 1.00 74.11 O ATOM 561 CB THR A 36 -20.819 13.788 -27.339 1.00 33.33 C ATOM 562 OG1 THR A 36 -21.843 12.820 -27.070 1.00 43.13 O ATOM 563 CG2 THR A 36 -19.866 13.884 -26.162 1.00 64.10 C ATOM 0 H THR A 36 -23.149 14.607 -26.565 1.00 2.42 H new ATOM 0 HA THR A 36 -20.705 15.933 -27.460 1.00 4.32 H new ATOM 0 HB THR A 36 -20.253 13.468 -28.214 1.00 33.33 H new ATOM 0 HG1 THR A 36 -21.515 11.925 -27.297 1.00 43.13 H new ATOM 0 HG21 THR A 36 -19.434 12.903 -25.963 1.00 64.10 H new ATOM 0 HG22 THR A 36 -19.069 14.591 -26.395 1.00 64.10 H new ATOM 0 HG23 THR A 36 -20.409 14.227 -25.281 1.00 64.10 H new ATOM 571 N LEU A 37 -20.898 15.553 -29.971 1.00 53.44 N ATOM 572 CA LEU A 37 -21.157 15.658 -31.402 1.00 63.51 C ATOM 573 C LEU A 37 -20.524 14.492 -32.157 1.00 52.34 C ATOM 574 O LEU A 37 -20.587 14.429 -33.384 1.00 2.25 O ATOM 575 CB LEU A 37 -20.631 16.992 -31.961 1.00 21.11 C ATOM 576 CG LEU A 37 -21.354 18.264 -31.484 1.00 54.21 C ATOM 577 CD1 LEU A 37 -22.863 18.113 -31.617 1.00 74.44 C ATOM 578 CD2 LEU A 37 -20.963 18.615 -30.053 1.00 73.05 C ATOM 0 H LEU A 37 -19.937 15.761 -29.701 1.00 53.44 H new ATOM 0 HA LEU A 37 -22.237 15.622 -31.545 1.00 63.51 H new ATOM 0 HB2 LEU A 37 -19.576 17.080 -31.700 1.00 21.11 H new ATOM 0 HB3 LEU A 37 -20.688 16.953 -33.049 1.00 21.11 H new ATOM 0 HG LEU A 37 -21.040 19.088 -32.125 1.00 54.21 H new ATOM 0 HD11 LEU A 37 -23.352 19.025 -31.274 1.00 74.44 H new ATOM 0 HD12 LEU A 37 -23.120 17.935 -32.661 1.00 74.44 H new ATOM 0 HD13 LEU A 37 -23.199 17.271 -31.012 1.00 74.44 H new ATOM 0 HD21 LEU A 37 -21.489 19.518 -29.743 1.00 73.05 H new ATOM 0 HD22 LEU A 37 -21.232 17.793 -29.390 1.00 73.05 H new ATOM 0 HD23 LEU A 37 -19.888 18.786 -30.001 1.00 73.05 H new ATOM 590 N LEU A 38 -19.921 13.565 -31.421 1.00 50.23 N ATOM 591 CA LEU A 38 -19.270 12.416 -32.039 1.00 42.43 C ATOM 592 C LEU A 38 -20.125 11.169 -31.853 1.00 44.41 C ATOM 593 O LEU A 38 -21.273 11.260 -31.413 1.00 5.24 O ATOM 594 CB LEU A 38 -17.863 12.194 -31.457 1.00 24.11 C ATOM 595 CG LEU A 38 -17.773 11.337 -30.187 1.00 55.42 C ATOM 596 CD1 LEU A 38 -16.339 10.907 -29.944 1.00 64.24 C ATOM 597 CD2 LEU A 38 -18.310 12.097 -28.993 1.00 12.42 C ATOM 0 H LEU A 38 -19.869 13.586 -30.403 1.00 50.23 H new ATOM 0 HA LEU A 38 -19.162 12.618 -33.105 1.00 42.43 H new ATOM 0 HB2 LEU A 38 -17.245 11.730 -32.226 1.00 24.11 H new ATOM 0 HB3 LEU A 38 -17.425 13.169 -31.242 1.00 24.11 H new ATOM 0 HG LEU A 38 -18.384 10.445 -30.326 1.00 55.42 H new ATOM 0 HD11 LEU A 38 -16.289 10.300 -29.040 1.00 64.24 H new ATOM 0 HD12 LEU A 38 -15.985 10.323 -30.794 1.00 64.24 H new ATOM 0 HD13 LEU A 38 -15.710 11.789 -29.823 1.00 64.24 H new ATOM 0 HD21 LEU A 38 -18.238 11.473 -28.102 1.00 12.42 H new ATOM 0 HD22 LEU A 38 -17.726 13.006 -28.848 1.00 12.42 H new ATOM 0 HD23 LEU A 38 -19.353 12.360 -29.168 1.00 12.42 H new ATOM 609 N ASN A 39 -19.564 10.016 -32.199 1.00 3.24 N ATOM 610 CA ASN A 39 -20.250 8.735 -32.057 1.00 41.32 C ATOM 611 C ASN A 39 -20.755 8.510 -30.631 1.00 74.01 C ATOM 612 O ASN A 39 -21.959 8.544 -30.380 1.00 1.34 O ATOM 613 CB ASN A 39 -19.312 7.603 -32.476 1.00 3.12 C ATOM 614 CG ASN A 39 -19.892 6.231 -32.214 1.00 32.10 C ATOM 615 OD1 ASN A 39 -19.591 5.597 -31.206 1.00 61.23 O ATOM 616 ND2 ASN A 39 -20.734 5.770 -33.115 1.00 65.35 N ATOM 0 H ASN A 39 -18.623 9.942 -32.585 1.00 3.24 H new ATOM 0 HA ASN A 39 -21.124 8.747 -32.708 1.00 41.32 H new ATOM 0 HB2 ASN A 39 -19.086 7.700 -33.538 1.00 3.12 H new ATOM 0 HB3 ASN A 39 -18.369 7.702 -31.939 1.00 3.12 H new ATOM 0 HD21 ASN A 39 -21.164 4.853 -32.990 1.00 65.35 H new ATOM 0 HD22 ASN A 39 -20.957 6.329 -33.938 1.00 65.35 H new ATOM 623 N THR A 40 -19.839 8.286 -29.701 1.00 64.41 N ATOM 624 CA THR A 40 -20.215 8.049 -28.317 1.00 30.52 C ATOM 625 C THR A 40 -20.152 9.339 -27.501 1.00 3.03 C ATOM 626 O THR A 40 -20.953 10.257 -27.695 1.00 5.14 O ATOM 627 CB THR A 40 -19.308 6.984 -27.668 1.00 12.32 C ATOM 628 OG1 THR A 40 -17.935 7.259 -27.988 1.00 35.43 O ATOM 629 CG2 THR A 40 -19.678 5.584 -28.129 1.00 3.41 C ATOM 0 H THR A 40 -18.835 8.263 -29.879 1.00 64.41 H new ATOM 0 HA THR A 40 -21.242 7.683 -28.320 1.00 30.52 H new ATOM 0 HB THR A 40 -19.450 7.029 -26.588 1.00 12.32 H new ATOM 0 HG1 THR A 40 -17.361 6.582 -27.573 1.00 35.43 H new ATOM 0 HG21 THR A 40 -19.019 4.858 -27.653 1.00 3.41 H new ATOM 0 HG22 THR A 40 -20.711 5.372 -27.854 1.00 3.41 H new ATOM 0 HG23 THR A 40 -19.569 5.517 -29.211 1.00 3.41 H new ATOM 637 N GLU A 41 -19.183 9.405 -26.603 1.00 30.04 N ATOM 638 CA GLU A 41 -18.975 10.573 -25.767 1.00 50.35 C ATOM 639 C GLU A 41 -17.489 10.906 -25.672 1.00 3.24 C ATOM 640 O GLU A 41 -17.079 11.724 -24.851 1.00 31.23 O ATOM 641 CB GLU A 41 -19.583 10.356 -24.379 1.00 50.22 C ATOM 642 CG GLU A 41 -19.641 8.903 -23.938 1.00 31.41 C ATOM 643 CD GLU A 41 -18.277 8.269 -23.763 1.00 23.51 C ATOM 644 OE1 GLU A 41 -17.714 7.772 -24.766 1.00 3.52 O ATOM 645 OE2 GLU A 41 -17.768 8.249 -22.625 1.00 62.43 O ATOM 0 H GLU A 41 -18.519 8.650 -26.434 1.00 30.04 H new ATOM 0 HA GLU A 41 -19.481 11.423 -26.226 1.00 50.35 H new ATOM 0 HB2 GLU A 41 -19.003 10.921 -23.650 1.00 50.22 H new ATOM 0 HB3 GLU A 41 -20.593 10.766 -24.370 1.00 50.22 H new ATOM 0 HG2 GLU A 41 -20.186 8.839 -22.996 1.00 31.41 H new ATOM 0 HG3 GLU A 41 -20.207 8.331 -24.673 1.00 31.41 H new ATOM 652 N LEU A 42 -16.697 10.262 -26.540 1.00 13.13 N ATOM 653 CA LEU A 42 -15.243 10.469 -26.599 1.00 52.41 C ATOM 654 C LEU A 42 -14.565 9.989 -25.309 1.00 14.02 C ATOM 655 O LEU A 42 -13.397 10.294 -25.057 1.00 23.25 O ATOM 656 CB LEU A 42 -14.927 11.953 -26.855 1.00 12.11 C ATOM 657 CG LEU A 42 -13.460 12.283 -27.151 1.00 5.41 C ATOM 658 CD1 LEU A 42 -13.000 11.603 -28.430 1.00 23.43 C ATOM 659 CD2 LEU A 42 -13.264 13.789 -27.242 1.00 35.54 C ATOM 0 H LEU A 42 -17.044 9.585 -27.219 1.00 13.13 H new ATOM 0 HA LEU A 42 -14.848 9.878 -27.425 1.00 52.41 H new ATOM 0 HB2 LEU A 42 -15.533 12.294 -27.695 1.00 12.11 H new ATOM 0 HB3 LEU A 42 -15.240 12.527 -25.983 1.00 12.11 H new ATOM 0 HG LEU A 42 -12.851 11.904 -26.330 1.00 5.41 H new ATOM 0 HD11 LEU A 42 -11.956 11.852 -28.619 1.00 23.43 H new ATOM 0 HD12 LEU A 42 -13.102 10.523 -28.325 1.00 23.43 H new ATOM 0 HD13 LEU A 42 -13.612 11.946 -29.265 1.00 23.43 H new ATOM 0 HD21 LEU A 42 -12.217 14.008 -27.453 1.00 35.54 H new ATOM 0 HD22 LEU A 42 -13.886 14.189 -28.042 1.00 35.54 H new ATOM 0 HD23 LEU A 42 -13.548 14.251 -26.296 1.00 35.54 H new ATOM 671 N HIS A 43 -15.300 9.200 -24.530 1.00 34.33 N ATOM 672 CA HIS A 43 -14.866 8.761 -23.208 1.00 33.44 C ATOM 673 C HIS A 43 -14.714 9.967 -22.289 1.00 54.43 C ATOM 674 O HIS A 43 -13.628 10.543 -22.156 1.00 42.13 O ATOM 675 CB HIS A 43 -13.572 7.941 -23.279 1.00 25.15 C ATOM 676 CG HIS A 43 -13.219 7.270 -21.988 1.00 12.20 C ATOM 677 ND1 HIS A 43 -13.962 6.259 -21.421 1.00 31.51 N ATOM 678 CD2 HIS A 43 -12.176 7.483 -21.151 1.00 72.42 C ATOM 679 CE1 HIS A 43 -13.361 5.897 -20.282 1.00 12.24 C ATOM 680 NE2 HIS A 43 -12.271 6.609 -20.071 1.00 1.25 N ATOM 0 H HIS A 43 -16.218 8.846 -24.800 1.00 34.33 H new ATOM 0 HA HIS A 43 -15.630 8.102 -22.795 1.00 33.44 H new ATOM 0 HB2 HIS A 43 -13.673 7.184 -24.057 1.00 25.15 H new ATOM 0 HB3 HIS A 43 -12.752 8.595 -23.575 1.00 25.15 H new ATOM 0 HD1 HIS A 43 -14.819 5.857 -21.802 1.00 31.51 H new ATOM 0 HD2 HIS A 43 -11.395 8.214 -21.298 1.00 72.42 H new ATOM 0 HE1 HIS A 43 -13.721 5.123 -19.621 1.00 12.24 H new ATOM 688 N LEU A 44 -15.826 10.359 -21.683 1.00 61.45 N ATOM 689 CA LEU A 44 -15.873 11.554 -20.848 1.00 62.30 C ATOM 690 C LEU A 44 -15.306 11.290 -19.455 1.00 2.21 C ATOM 691 O LEU A 44 -14.771 10.214 -19.181 1.00 23.23 O ATOM 692 CB LEU A 44 -17.309 12.096 -20.766 1.00 55.14 C ATOM 693 CG LEU A 44 -18.423 11.057 -20.569 1.00 51.42 C ATOM 694 CD1 LEU A 44 -18.380 10.439 -19.177 1.00 34.34 C ATOM 695 CD2 LEU A 44 -19.771 11.705 -20.822 1.00 45.10 C ATOM 0 H LEU A 44 -16.715 9.863 -21.754 1.00 61.45 H new ATOM 0 HA LEU A 44 -15.244 12.312 -21.314 1.00 62.30 H new ATOM 0 HB2 LEU A 44 -17.358 12.809 -19.943 1.00 55.14 H new ATOM 0 HB3 LEU A 44 -17.517 12.650 -21.681 1.00 55.14 H new ATOM 0 HG LEU A 44 -18.267 10.250 -21.284 1.00 51.42 H new ATOM 0 HD11 LEU A 44 -19.184 9.710 -19.078 1.00 34.34 H new ATOM 0 HD12 LEU A 44 -17.420 9.944 -19.028 1.00 34.34 H new ATOM 0 HD13 LEU A 44 -18.505 11.221 -18.428 1.00 34.34 H new ATOM 0 HD21 LEU A 44 -20.561 10.967 -20.682 1.00 45.10 H new ATOM 0 HD22 LEU A 44 -19.916 12.529 -20.123 1.00 45.10 H new ATOM 0 HD23 LEU A 44 -19.806 12.085 -21.843 1.00 45.10 H new ATOM 707 N THR A 45 -15.419 12.288 -18.586 1.00 75.11 N ATOM 708 CA THR A 45 -14.935 12.177 -17.221 1.00 44.21 C ATOM 709 C THR A 45 -15.671 11.072 -16.475 1.00 1.41 C ATOM 710 O THR A 45 -16.842 11.211 -16.110 1.00 21.12 O ATOM 711 CB THR A 45 -15.113 13.501 -16.464 1.00 51.35 C ATOM 712 OG1 THR A 45 -14.653 14.591 -17.276 1.00 63.21 O ATOM 713 CG2 THR A 45 -14.348 13.483 -15.147 1.00 32.32 C ATOM 0 H THR A 45 -15.845 13.188 -18.808 1.00 75.11 H new ATOM 0 HA THR A 45 -13.873 11.934 -17.270 1.00 44.21 H new ATOM 0 HB THR A 45 -16.173 13.630 -16.245 1.00 51.35 H new ATOM 0 HG1 THR A 45 -14.770 15.434 -16.789 1.00 63.21 H new ATOM 0 HG21 THR A 45 -14.491 14.432 -14.630 1.00 32.32 H new ATOM 0 HG22 THR A 45 -14.719 12.670 -14.522 1.00 32.32 H new ATOM 0 HG23 THR A 45 -13.287 13.333 -15.345 1.00 32.32 H new ATOM 721 N LYS A 46 -14.975 9.975 -16.266 1.00 23.21 N ATOM 722 CA LYS A 46 -15.546 8.826 -15.602 1.00 54.51 C ATOM 723 C LYS A 46 -14.818 8.576 -14.289 1.00 1.35 C ATOM 724 O LYS A 46 -13.679 9.013 -14.108 1.00 52.10 O ATOM 725 CB LYS A 46 -15.489 7.595 -16.524 1.00 45.12 C ATOM 726 CG LYS A 46 -14.290 6.683 -16.301 1.00 4.02 C ATOM 727 CD LYS A 46 -12.974 7.355 -16.650 1.00 23.43 C ATOM 728 CE LYS A 46 -11.822 6.625 -15.993 1.00 33.13 C ATOM 729 NZ LYS A 46 -10.501 7.263 -16.259 1.00 11.33 N ATOM 0 H LYS A 46 -14.003 9.856 -16.550 1.00 23.21 H new ATOM 0 HA LYS A 46 -16.595 9.020 -15.376 1.00 54.51 H new ATOM 0 HB2 LYS A 46 -16.400 7.013 -16.386 1.00 45.12 H new ATOM 0 HB3 LYS A 46 -15.481 7.935 -17.560 1.00 45.12 H new ATOM 0 HG2 LYS A 46 -14.267 6.367 -15.258 1.00 4.02 H new ATOM 0 HG3 LYS A 46 -14.405 5.783 -16.904 1.00 4.02 H new ATOM 0 HD2 LYS A 46 -12.838 7.365 -17.731 1.00 23.43 H new ATOM 0 HD3 LYS A 46 -12.990 8.394 -16.321 1.00 23.43 H new ATOM 0 HE2 LYS A 46 -11.990 6.586 -14.917 1.00 33.13 H new ATOM 0 HE3 LYS A 46 -11.801 5.595 -16.350 1.00 33.13 H new ATOM 0 HZ1 LYS A 46 -9.869 6.575 -16.717 1.00 11.33 H new ATOM 0 HZ2 LYS A 46 -10.631 8.083 -16.885 1.00 11.33 H new ATOM 0 HZ3 LYS A 46 -10.080 7.576 -15.361 1.00 11.33 H new ATOM 743 N TYR A 47 -15.477 7.891 -13.376 1.00 60.01 N ATOM 744 CA TYR A 47 -14.900 7.609 -12.078 1.00 22.23 C ATOM 745 C TYR A 47 -14.917 6.118 -11.808 1.00 41.22 C ATOM 746 O TYR A 47 -15.927 5.449 -12.013 1.00 33.32 O ATOM 747 CB TYR A 47 -15.660 8.349 -10.970 1.00 60.04 C ATOM 748 CG TYR A 47 -15.475 9.855 -10.982 1.00 25.43 C ATOM 749 CD1 TYR A 47 -16.024 10.639 -11.990 1.00 20.12 C ATOM 750 CD2 TYR A 47 -14.745 10.491 -9.984 1.00 11.11 C ATOM 751 CE1 TYR A 47 -15.852 12.008 -12.003 1.00 62.03 C ATOM 752 CE2 TYR A 47 -14.570 11.863 -9.992 1.00 43.31 C ATOM 753 CZ TYR A 47 -15.126 12.615 -11.005 1.00 34.30 C ATOM 754 OH TYR A 47 -14.963 13.982 -11.023 1.00 33.33 O ATOM 0 H TYR A 47 -16.417 7.518 -13.511 1.00 60.01 H new ATOM 0 HA TYR A 47 -13.868 7.959 -12.083 1.00 22.23 H new ATOM 0 HB2 TYR A 47 -16.723 8.125 -11.063 1.00 60.04 H new ATOM 0 HB3 TYR A 47 -15.336 7.963 -10.004 1.00 60.04 H new ATOM 0 HD1 TYR A 47 -16.595 10.168 -12.777 1.00 20.12 H new ATOM 0 HD2 TYR A 47 -14.308 9.904 -9.190 1.00 11.11 H new ATOM 0 HE1 TYR A 47 -16.286 12.601 -12.794 1.00 62.03 H new ATOM 0 HE2 TYR A 47 -14.001 12.342 -9.209 1.00 43.31 H new ATOM 0 HH TYR A 47 -14.427 14.258 -10.250 1.00 33.33 H new ATOM 764 N TYR A 48 -13.786 5.604 -11.370 1.00 22.42 N ATOM 765 CA TYR A 48 -13.677 4.209 -10.988 1.00 1.21 C ATOM 766 C TYR A 48 -14.274 4.006 -9.611 1.00 41.13 C ATOM 767 O TYR A 48 -13.667 4.370 -8.605 1.00 13.21 O ATOM 768 CB TYR A 48 -12.219 3.754 -10.997 1.00 73.34 C ATOM 769 CG TYR A 48 -11.736 3.259 -12.343 1.00 30.11 C ATOM 770 CD1 TYR A 48 -12.251 3.771 -13.527 1.00 71.22 C ATOM 771 CD2 TYR A 48 -10.773 2.264 -12.426 1.00 61.33 C ATOM 772 CE1 TYR A 48 -11.812 3.310 -14.753 1.00 15.54 C ATOM 773 CE2 TYR A 48 -10.329 1.800 -13.648 1.00 14.31 C ATOM 774 CZ TYR A 48 -10.853 2.325 -14.807 1.00 31.41 C ATOM 775 OH TYR A 48 -10.410 1.865 -16.027 1.00 50.24 O ATOM 0 H TYR A 48 -12.922 6.136 -11.269 1.00 22.42 H new ATOM 0 HA TYR A 48 -14.227 3.609 -11.713 1.00 1.21 H new ATOM 0 HB2 TYR A 48 -11.588 4.584 -10.679 1.00 73.34 H new ATOM 0 HB3 TYR A 48 -12.093 2.959 -10.262 1.00 73.34 H new ATOM 0 HD1 TYR A 48 -13.007 4.542 -13.489 1.00 71.22 H new ATOM 0 HD2 TYR A 48 -10.363 1.845 -11.519 1.00 61.33 H new ATOM 0 HE1 TYR A 48 -12.220 3.721 -15.665 1.00 15.54 H new ATOM 0 HE2 TYR A 48 -9.574 1.029 -13.694 1.00 14.31 H new ATOM 0 HH TYR A 48 -9.732 1.171 -15.888 1.00 50.24 H new ATOM 785 N GLY A 49 -15.472 3.451 -9.578 1.00 1.20 N ATOM 786 CA GLY A 49 -16.143 3.198 -8.323 1.00 55.43 C ATOM 787 C GLY A 49 -15.629 1.944 -7.649 1.00 12.43 C ATOM 788 O GLY A 49 -16.276 0.895 -7.693 1.00 54.02 O ATOM 0 H GLY A 49 -15.997 3.169 -10.406 1.00 1.20 H new ATOM 0 HA2 GLY A 49 -16.003 4.050 -7.658 1.00 55.43 H new ATOM 0 HA3 GLY A 49 -17.215 3.103 -8.497 1.00 55.43 H new ATOM 792 N PHE A 50 -14.453 2.047 -7.042 1.00 21.34 N ATOM 793 CA PHE A 50 -13.870 0.936 -6.311 1.00 35.32 C ATOM 794 C PHE A 50 -14.604 0.736 -4.999 1.00 31.53 C ATOM 795 O PHE A 50 -14.658 1.636 -4.160 1.00 32.13 O ATOM 796 CB PHE A 50 -12.381 1.173 -6.056 1.00 1.04 C ATOM 797 CG PHE A 50 -11.491 0.572 -7.106 1.00 22.12 C ATOM 798 CD1 PHE A 50 -11.154 -0.771 -7.048 1.00 30.01 C ATOM 799 CD2 PHE A 50 -10.991 1.338 -8.147 1.00 24.21 C ATOM 800 CE1 PHE A 50 -10.336 -1.337 -8.006 1.00 44.04 C ATOM 801 CE2 PHE A 50 -10.175 0.779 -9.102 1.00 20.12 C ATOM 802 CZ PHE A 50 -9.846 -0.559 -9.034 1.00 52.54 C ATOM 0 H PHE A 50 -13.885 2.894 -7.044 1.00 21.34 H new ATOM 0 HA PHE A 50 -13.971 0.035 -6.915 1.00 35.32 H new ATOM 0 HB2 PHE A 50 -12.195 2.246 -6.004 1.00 1.04 H new ATOM 0 HB3 PHE A 50 -12.116 0.756 -5.084 1.00 1.04 H new ATOM 0 HD1 PHE A 50 -11.536 -1.382 -6.244 1.00 30.01 H new ATOM 0 HD2 PHE A 50 -11.245 2.386 -8.209 1.00 24.21 H new ATOM 0 HE1 PHE A 50 -10.081 -2.385 -7.950 1.00 44.04 H new ATOM 0 HE2 PHE A 50 -9.791 1.388 -9.907 1.00 20.12 H new ATOM 0 HZ PHE A 50 -9.205 -0.997 -9.785 1.00 52.54 H new ATOM 812 N SER A 51 -15.193 -0.432 -4.839 1.00 1.54 N ATOM 813 CA SER A 51 -15.981 -0.725 -3.659 1.00 24.34 C ATOM 814 C SER A 51 -15.646 -2.108 -3.125 1.00 74.12 C ATOM 815 O SER A 51 -15.386 -3.032 -3.897 1.00 65.24 O ATOM 816 CB SER A 51 -17.465 -0.670 -4.004 1.00 75.51 C ATOM 817 OG SER A 51 -17.734 0.343 -4.956 1.00 44.21 O ATOM 0 H SER A 51 -15.141 -1.196 -5.513 1.00 1.54 H new ATOM 0 HA SER A 51 -15.750 0.018 -2.896 1.00 24.34 H new ATOM 0 HB2 SER A 51 -17.785 -1.635 -4.396 1.00 75.51 H new ATOM 0 HB3 SER A 51 -18.044 -0.485 -3.099 1.00 75.51 H new ATOM 0 HG SER A 51 -17.462 1.212 -4.595 1.00 44.21 H new ATOM 823 N PHE A 52 -15.652 -2.254 -1.812 1.00 20.42 N ATOM 824 CA PHE A 52 -15.489 -3.562 -1.216 1.00 10.42 C ATOM 825 C PHE A 52 -16.820 -4.045 -0.662 1.00 3.30 C ATOM 826 O PHE A 52 -17.442 -3.372 0.170 1.00 43.05 O ATOM 827 CB PHE A 52 -14.438 -3.565 -0.107 1.00 45.12 C ATOM 828 CG PHE A 52 -14.022 -4.963 0.262 1.00 3.00 C ATOM 829 CD1 PHE A 52 -14.811 -5.743 1.092 1.00 34.33 C ATOM 830 CD2 PHE A 52 -12.858 -5.507 -0.252 1.00 33.14 C ATOM 831 CE1 PHE A 52 -14.443 -7.036 1.403 1.00 10.21 C ATOM 832 CE2 PHE A 52 -12.489 -6.801 0.051 1.00 12.12 C ATOM 833 CZ PHE A 52 -13.282 -7.566 0.879 1.00 62.44 C ATOM 0 H PHE A 52 -15.767 -1.490 -1.146 1.00 20.42 H new ATOM 0 HA PHE A 52 -15.142 -4.237 -1.999 1.00 10.42 H new ATOM 0 HB2 PHE A 52 -13.565 -2.999 -0.432 1.00 45.12 H new ATOM 0 HB3 PHE A 52 -14.836 -3.060 0.773 1.00 45.12 H new ATOM 0 HD1 PHE A 52 -15.724 -5.335 1.500 1.00 34.33 H new ATOM 0 HD2 PHE A 52 -12.231 -4.911 -0.898 1.00 33.14 H new ATOM 0 HE1 PHE A 52 -15.063 -7.632 2.056 1.00 10.21 H new ATOM 0 HE2 PHE A 52 -11.580 -7.214 -0.360 1.00 12.12 H new ATOM 0 HZ PHE A 52 -12.995 -8.579 1.117 1.00 62.44 H new ATOM 843 N PHE A 53 -17.240 -5.210 -1.126 1.00 23.34 N ATOM 844 CA PHE A 53 -18.493 -5.809 -0.702 1.00 32.40 C ATOM 845 C PHE A 53 -18.273 -6.880 0.350 1.00 52.51 C ATOM 846 O PHE A 53 -17.385 -7.721 0.222 1.00 31.12 O ATOM 847 CB PHE A 53 -19.206 -6.443 -1.892 1.00 53.23 C ATOM 848 CG PHE A 53 -20.201 -5.552 -2.566 1.00 24.51 C ATOM 849 CD1 PHE A 53 -19.799 -4.600 -3.485 1.00 50.14 C ATOM 850 CD2 PHE A 53 -21.547 -5.679 -2.279 1.00 34.11 C ATOM 851 CE1 PHE A 53 -20.728 -3.787 -4.108 1.00 62.01 C ATOM 852 CE2 PHE A 53 -22.481 -4.871 -2.897 1.00 21.42 C ATOM 853 CZ PHE A 53 -22.072 -3.923 -3.813 1.00 11.41 C ATOM 0 H PHE A 53 -16.722 -5.766 -1.806 1.00 23.34 H new ATOM 0 HA PHE A 53 -19.101 -5.011 -0.276 1.00 32.40 H new ATOM 0 HB2 PHE A 53 -18.460 -6.752 -2.624 1.00 53.23 H new ATOM 0 HB3 PHE A 53 -19.715 -7.346 -1.555 1.00 53.23 H new ATOM 0 HD1 PHE A 53 -18.750 -4.491 -3.718 1.00 50.14 H new ATOM 0 HD2 PHE A 53 -21.872 -6.419 -1.563 1.00 34.11 H new ATOM 0 HE1 PHE A 53 -20.404 -3.046 -4.824 1.00 62.01 H new ATOM 0 HE2 PHE A 53 -23.530 -4.981 -2.664 1.00 21.42 H new ATOM 0 HZ PHE A 53 -22.800 -3.289 -4.298 1.00 11.41 H new ATOM 863 N ARG A 54 -19.084 -6.841 1.387 1.00 70.20 N ATOM 864 CA ARG A 54 -19.176 -7.949 2.323 1.00 54.13 C ATOM 865 C ARG A 54 -20.643 -8.225 2.612 1.00 42.53 C ATOM 866 O ARG A 54 -21.358 -7.340 3.092 1.00 75.42 O ATOM 867 CB ARG A 54 -18.438 -7.685 3.638 1.00 24.01 C ATOM 868 CG ARG A 54 -18.413 -8.923 4.523 1.00 62.43 C ATOM 869 CD ARG A 54 -17.793 -8.676 5.888 1.00 15.15 C ATOM 870 NE ARG A 54 -17.735 -9.919 6.667 1.00 54.31 N ATOM 871 CZ ARG A 54 -17.757 -9.972 8.004 1.00 4.04 C ATOM 872 NH1 ARG A 54 -17.835 -8.862 8.712 1.00 65.12 N ATOM 873 NH2 ARG A 54 -17.700 -11.141 8.636 1.00 31.01 N ATOM 0 H ARG A 54 -19.692 -6.052 1.606 1.00 70.20 H new ATOM 0 HA ARG A 54 -18.696 -8.811 1.860 1.00 54.13 H new ATOM 0 HB2 ARG A 54 -17.417 -7.368 3.426 1.00 24.01 H new ATOM 0 HB3 ARG A 54 -18.922 -6.866 4.170 1.00 24.01 H new ATOM 0 HG2 ARG A 54 -19.432 -9.287 4.655 1.00 62.43 H new ATOM 0 HG3 ARG A 54 -17.856 -9.712 4.017 1.00 62.43 H new ATOM 0 HD2 ARG A 54 -16.789 -8.270 5.768 1.00 15.15 H new ATOM 0 HD3 ARG A 54 -18.376 -7.930 6.428 1.00 15.15 H new ATOM 0 HE ARG A 54 -17.674 -10.800 6.156 1.00 54.31 H new ATOM 0 HH11 ARG A 54 -17.879 -7.958 8.241 1.00 65.12 H new ATOM 0 HH12 ARG A 54 -17.852 -8.907 9.731 1.00 65.12 H new ATOM 0 HH21 ARG A 54 -17.639 -12.007 8.101 1.00 31.01 H new ATOM 0 HH22 ARG A 54 -17.717 -11.171 9.655 1.00 31.01 H new ATOM 887 N HIS A 55 -21.094 -9.434 2.287 1.00 61.02 N ATOM 888 CA HIS A 55 -22.492 -9.833 2.495 1.00 63.20 C ATOM 889 C HIS A 55 -23.474 -8.944 1.738 1.00 74.12 C ATOM 890 O HIS A 55 -24.663 -8.909 2.060 1.00 30.45 O ATOM 891 CB HIS A 55 -22.840 -9.830 3.981 1.00 42.02 C ATOM 892 CG HIS A 55 -22.439 -11.087 4.674 1.00 54.04 C ATOM 893 ND1 HIS A 55 -23.340 -12.023 5.127 1.00 15.14 N ATOM 894 CD2 HIS A 55 -21.206 -11.580 4.964 1.00 14.24 C ATOM 895 CE1 HIS A 55 -22.649 -13.029 5.661 1.00 1.35 C ATOM 896 NE2 HIS A 55 -21.356 -12.810 5.588 1.00 15.10 N ATOM 0 H HIS A 55 -20.510 -10.162 1.875 1.00 61.02 H new ATOM 0 HA HIS A 55 -22.587 -10.844 2.099 1.00 63.20 H new ATOM 0 HB2 HIS A 55 -22.349 -8.984 4.462 1.00 42.02 H new ATOM 0 HB3 HIS A 55 -23.914 -9.684 4.097 1.00 42.02 H new ATOM 0 HD1 HIS A 55 -24.356 -11.958 5.065 1.00 15.14 H new ATOM 0 HD2 HIS A 55 -20.266 -11.095 4.745 1.00 14.24 H new ATOM 0 HE1 HIS A 55 -23.094 -13.911 6.098 1.00 1.35 H new ATOM 904 N GLY A 56 -22.982 -8.240 0.732 1.00 13.10 N ATOM 905 CA GLY A 56 -23.844 -7.383 -0.055 1.00 1.43 C ATOM 906 C GLY A 56 -23.801 -5.936 0.390 1.00 73.35 C ATOM 907 O GLY A 56 -24.419 -5.075 -0.230 1.00 24.32 O ATOM 0 H GLY A 56 -22.003 -8.246 0.446 1.00 13.10 H new ATOM 0 HA2 GLY A 56 -23.550 -7.445 -1.103 1.00 1.43 H new ATOM 0 HA3 GLY A 56 -24.869 -7.748 0.011 1.00 1.43 H new ATOM 911 N ASN A 57 -23.076 -5.659 1.463 1.00 32.23 N ATOM 912 CA ASN A 57 -22.944 -4.290 1.942 1.00 61.12 C ATOM 913 C ASN A 57 -21.647 -3.690 1.452 1.00 13.33 C ATOM 914 O ASN A 57 -20.790 -4.388 0.904 1.00 23.03 O ATOM 915 CB ASN A 57 -22.966 -4.214 3.469 1.00 43.34 C ATOM 916 CG ASN A 57 -24.180 -4.868 4.074 1.00 1.12 C ATOM 917 OD1 ASN A 57 -25.234 -4.247 4.226 1.00 20.42 O ATOM 918 ND2 ASN A 57 -24.024 -6.122 4.439 1.00 75.01 N ATOM 0 H ASN A 57 -22.574 -6.355 2.014 1.00 32.23 H new ATOM 0 HA ASN A 57 -23.796 -3.733 1.552 1.00 61.12 H new ATOM 0 HB2 ASN A 57 -22.069 -4.691 3.864 1.00 43.34 H new ATOM 0 HB3 ASN A 57 -22.933 -3.169 3.776 1.00 43.34 H new ATOM 0 HD21 ASN A 57 -24.798 -6.627 4.871 1.00 75.01 H new ATOM 0 HD22 ASN A 57 -23.130 -6.589 4.290 1.00 75.01 H new ATOM 925 N ILE A 58 -21.501 -2.403 1.680 1.00 12.44 N ATOM 926 CA ILE A 58 -20.303 -1.687 1.293 1.00 52.31 C ATOM 927 C ILE A 58 -19.453 -1.403 2.512 1.00 1.32 C ATOM 928 O ILE A 58 -19.812 -0.605 3.378 1.00 51.31 O ATOM 929 CB ILE A 58 -20.629 -0.371 0.557 1.00 11.35 C ATOM 930 CG1 ILE A 58 -21.236 -0.684 -0.809 1.00 41.43 C ATOM 931 CG2 ILE A 58 -19.384 0.498 0.403 1.00 30.14 C ATOM 932 CD1 ILE A 58 -20.250 -1.300 -1.779 1.00 64.54 C ATOM 0 H ILE A 58 -22.206 -1.824 2.137 1.00 12.44 H new ATOM 0 HA ILE A 58 -19.749 -2.322 0.601 1.00 52.31 H new ATOM 0 HB ILE A 58 -21.351 0.189 1.151 1.00 11.35 H new ATOM 0 HG12 ILE A 58 -22.077 -1.364 -0.677 1.00 41.43 H new ATOM 0 HG13 ILE A 58 -21.633 0.235 -1.241 1.00 41.43 H new ATOM 0 HG21 ILE A 58 -19.645 1.418 -0.119 1.00 30.14 H new ATOM 0 HG22 ILE A 58 -18.985 0.740 1.388 1.00 30.14 H new ATOM 0 HG23 ILE A 58 -18.631 -0.043 -0.170 1.00 30.14 H new ATOM 0 HD11 ILE A 58 -20.748 -1.496 -2.728 1.00 64.54 H new ATOM 0 HD12 ILE A 58 -19.420 -0.612 -1.940 1.00 64.54 H new ATOM 0 HD13 ILE A 58 -19.871 -2.236 -1.368 1.00 64.54 H new ATOM 944 N VAL A 59 -18.336 -2.087 2.582 1.00 31.02 N ATOM 945 CA VAL A 59 -17.395 -1.885 3.661 1.00 25.12 C ATOM 946 C VAL A 59 -16.424 -0.772 3.291 1.00 10.10 C ATOM 947 O VAL A 59 -16.015 0.028 4.132 1.00 73.05 O ATOM 948 CB VAL A 59 -16.614 -3.172 3.977 1.00 14.22 C ATOM 949 CG1 VAL A 59 -15.557 -2.899 5.028 1.00 42.33 C ATOM 950 CG2 VAL A 59 -17.555 -4.278 4.437 1.00 32.44 C ATOM 0 H VAL A 59 -18.054 -2.792 1.901 1.00 31.02 H new ATOM 0 HA VAL A 59 -17.957 -1.606 4.552 1.00 25.12 H new ATOM 0 HB VAL A 59 -16.120 -3.508 3.065 1.00 14.22 H new ATOM 0 HG11 VAL A 59 -15.011 -3.818 5.243 1.00 42.33 H new ATOM 0 HG12 VAL A 59 -14.864 -2.143 4.659 1.00 42.33 H new ATOM 0 HG13 VAL A 59 -16.035 -2.539 5.939 1.00 42.33 H new ATOM 0 HG21 VAL A 59 -16.980 -5.178 4.655 1.00 32.44 H new ATOM 0 HG22 VAL A 59 -18.081 -3.957 5.336 1.00 32.44 H new ATOM 0 HG23 VAL A 59 -18.278 -4.491 3.650 1.00 32.44 H new ATOM 960 N ALA A 60 -16.074 -0.720 2.016 1.00 40.43 N ATOM 961 CA ALA A 60 -15.176 0.307 1.518 1.00 30.45 C ATOM 962 C ALA A 60 -15.675 0.861 0.201 1.00 43.21 C ATOM 963 O ALA A 60 -16.149 0.115 -0.651 1.00 71.13 O ATOM 964 CB ALA A 60 -13.772 -0.247 1.344 1.00 71.23 C ATOM 0 H ALA A 60 -16.399 -1.378 1.307 1.00 40.43 H new ATOM 0 HA ALA A 60 -15.149 1.113 2.251 1.00 30.45 H new ATOM 0 HB1 ALA A 60 -13.115 0.538 0.970 1.00 71.23 H new ATOM 0 HB2 ALA A 60 -13.400 -0.605 2.304 1.00 71.23 H new ATOM 0 HB3 ALA A 60 -13.792 -1.073 0.633 1.00 71.23 H new ATOM 970 N TYR A 61 -15.589 2.164 0.044 1.00 63.34 N ATOM 971 CA TYR A 61 -15.899 2.785 -1.223 1.00 43.12 C ATOM 972 C TYR A 61 -14.942 3.928 -1.490 1.00 50.11 C ATOM 973 O TYR A 61 -14.671 4.745 -0.609 1.00 14.24 O ATOM 974 CB TYR A 61 -17.340 3.298 -1.267 1.00 32.24 C ATOM 975 CG TYR A 61 -17.713 3.860 -2.623 1.00 43.42 C ATOM 976 CD1 TYR A 61 -18.102 3.021 -3.655 1.00 73.32 C ATOM 977 CD2 TYR A 61 -17.652 5.224 -2.876 1.00 54.13 C ATOM 978 CE1 TYR A 61 -18.421 3.520 -4.902 1.00 43.24 C ATOM 979 CE2 TYR A 61 -17.973 5.733 -4.117 1.00 51.12 C ATOM 980 CZ TYR A 61 -18.353 4.879 -5.128 1.00 44.54 C ATOM 981 OH TYR A 61 -18.663 5.391 -6.367 1.00 44.55 O ATOM 0 H TYR A 61 -15.307 2.813 0.779 1.00 63.34 H new ATOM 0 HA TYR A 61 -15.789 2.025 -1.997 1.00 43.12 H new ATOM 0 HB2 TYR A 61 -18.020 2.484 -1.015 1.00 32.24 H new ATOM 0 HB3 TYR A 61 -17.471 4.070 -0.509 1.00 32.24 H new ATOM 0 HD1 TYR A 61 -18.157 1.957 -3.480 1.00 73.32 H new ATOM 0 HD2 TYR A 61 -17.348 5.897 -2.088 1.00 54.13 H new ATOM 0 HE1 TYR A 61 -18.722 2.851 -5.695 1.00 43.24 H new ATOM 0 HE2 TYR A 61 -17.926 6.797 -4.295 1.00 51.12 H new ATOM 0 HH TYR A 61 -19.001 4.673 -6.942 1.00 44.55 H new ATOM 991 N GLY A 62 -14.421 3.964 -2.697 1.00 54.02 N ATOM 992 CA GLY A 62 -13.578 5.052 -3.114 1.00 12.44 C ATOM 993 C GLY A 62 -13.566 5.185 -4.614 1.00 10.14 C ATOM 994 O GLY A 62 -12.957 4.375 -5.305 1.00 2.40 O ATOM 0 H GLY A 62 -14.570 3.247 -3.407 1.00 54.02 H new ATOM 0 HA2 GLY A 62 -13.930 5.981 -2.666 1.00 12.44 H new ATOM 0 HA3 GLY A 62 -12.563 4.889 -2.752 1.00 12.44 H new ATOM 998 N LYS A 63 -14.265 6.180 -5.132 1.00 31.14 N ATOM 999 CA LYS A 63 -14.253 6.417 -6.560 1.00 43.50 C ATOM 1000 C LYS A 63 -13.317 7.568 -6.876 1.00 35.10 C ATOM 1001 O LYS A 63 -13.105 8.455 -6.047 1.00 43.23 O ATOM 1002 CB LYS A 63 -15.656 6.710 -7.104 1.00 73.50 C ATOM 1003 CG LYS A 63 -16.155 8.109 -6.806 1.00 62.54 C ATOM 1004 CD LYS A 63 -17.514 8.360 -7.440 1.00 45.25 C ATOM 1005 CE LYS A 63 -18.139 9.651 -6.939 1.00 34.21 C ATOM 1006 NZ LYS A 63 -18.552 9.544 -5.515 1.00 10.12 N ATOM 0 H LYS A 63 -14.840 6.827 -4.592 1.00 31.14 H new ATOM 0 HA LYS A 63 -13.899 5.509 -7.049 1.00 43.50 H new ATOM 0 HB2 LYS A 63 -15.654 6.559 -8.183 1.00 73.50 H new ATOM 0 HB3 LYS A 63 -16.356 5.989 -6.682 1.00 73.50 H new ATOM 0 HG2 LYS A 63 -16.223 8.251 -5.727 1.00 62.54 H new ATOM 0 HG3 LYS A 63 -15.437 8.840 -7.179 1.00 62.54 H new ATOM 0 HD2 LYS A 63 -17.407 8.404 -8.524 1.00 45.25 H new ATOM 0 HD3 LYS A 63 -18.178 7.525 -7.219 1.00 45.25 H new ATOM 0 HE2 LYS A 63 -17.426 10.468 -7.051 1.00 34.21 H new ATOM 0 HE3 LYS A 63 -19.006 9.898 -7.552 1.00 34.21 H new ATOM 0 HZ1 LYS A 63 -19.192 10.329 -5.279 1.00 10.12 H new ATOM 0 HZ2 LYS A 63 -19.043 8.640 -5.363 1.00 10.12 H new ATOM 0 HZ3 LYS A 63 -17.711 9.588 -4.905 1.00 10.12 H new ATOM 1020 N SER A 64 -12.763 7.541 -8.066 1.00 54.33 N ATOM 1021 CA SER A 64 -11.840 8.569 -8.511 1.00 41.40 C ATOM 1022 C SER A 64 -11.647 8.467 -10.017 1.00 22.40 C ATOM 1023 O SER A 64 -11.972 7.444 -10.620 1.00 23.32 O ATOM 1024 CB SER A 64 -10.494 8.433 -7.793 1.00 21.20 C ATOM 1025 OG SER A 64 -9.626 9.511 -8.113 1.00 34.31 O ATOM 0 H SER A 64 -12.937 6.809 -8.755 1.00 54.33 H new ATOM 0 HA SER A 64 -12.258 9.546 -8.269 1.00 41.40 H new ATOM 0 HB2 SER A 64 -10.656 8.401 -6.716 1.00 21.20 H new ATOM 0 HB3 SER A 64 -10.024 7.490 -8.072 1.00 21.20 H new ATOM 0 HG SER A 64 -10.041 10.357 -7.842 1.00 34.31 H new ATOM 1031 N ARG A 65 -11.134 9.529 -10.623 1.00 74.35 N ATOM 1032 CA ARG A 65 -10.862 9.529 -12.054 1.00 61.11 C ATOM 1033 C ARG A 65 -9.720 8.570 -12.377 1.00 12.40 C ATOM 1034 O ARG A 65 -9.598 8.089 -13.506 1.00 44.34 O ATOM 1035 CB ARG A 65 -10.513 10.938 -12.535 1.00 44.15 C ATOM 1036 CG ARG A 65 -11.604 11.961 -12.272 1.00 52.41 C ATOM 1037 CD ARG A 65 -11.188 13.352 -12.720 1.00 32.43 C ATOM 1038 NE ARG A 65 -9.981 13.812 -12.036 1.00 15.03 N ATOM 1039 CZ ARG A 65 -9.252 14.853 -12.430 1.00 4.51 C ATOM 1040 NH1 ARG A 65 -9.629 15.576 -13.479 1.00 65.23 N ATOM 1041 NH2 ARG A 65 -8.157 15.184 -11.763 1.00 54.44 N ATOM 0 H ARG A 65 -10.898 10.400 -10.147 1.00 74.35 H new ATOM 0 HA ARG A 65 -11.761 9.196 -12.573 1.00 61.11 H new ATOM 0 HB2 ARG A 65 -9.596 11.263 -12.043 1.00 44.15 H new ATOM 0 HB3 ARG A 65 -10.307 10.906 -13.605 1.00 44.15 H new ATOM 0 HG2 ARG A 65 -12.513 11.666 -12.796 1.00 52.41 H new ATOM 0 HG3 ARG A 65 -11.840 11.976 -11.208 1.00 52.41 H new ATOM 0 HD2 ARG A 65 -11.015 13.349 -13.796 1.00 32.43 H new ATOM 0 HD3 ARG A 65 -12.001 14.052 -12.529 1.00 32.43 H new ATOM 0 HE ARG A 65 -9.679 13.303 -11.205 1.00 15.03 H new ATOM 0 HH11 ARG A 65 -10.480 15.334 -13.986 1.00 65.23 H new ATOM 0 HH12 ARG A 65 -9.067 16.373 -13.777 1.00 65.23 H new ATOM 0 HH21 ARG A 65 -7.873 14.641 -10.948 1.00 54.44 H new ATOM 0 HH22 ARG A 65 -7.598 15.982 -12.065 1.00 54.44 H new ATOM 1055 N LYS A 66 -8.888 8.297 -11.376 1.00 32.04 N ATOM 1056 CA LYS A 66 -7.778 7.367 -11.528 1.00 71.12 C ATOM 1057 C LYS A 66 -8.046 6.076 -10.770 1.00 23.10 C ATOM 1058 O LYS A 66 -8.557 6.099 -9.648 1.00 4.13 O ATOM 1059 CB LYS A 66 -6.471 7.982 -11.021 1.00 2.21 C ATOM 1060 CG LYS A 66 -5.921 9.094 -11.896 1.00 52.33 C ATOM 1061 CD LYS A 66 -4.546 9.527 -11.416 1.00 2.04 C ATOM 1062 CE LYS A 66 -3.974 10.638 -12.274 1.00 10.34 C ATOM 1063 NZ LYS A 66 -2.607 11.020 -11.837 1.00 2.40 N ATOM 0 H LYS A 66 -8.964 8.710 -10.447 1.00 32.04 H new ATOM 0 HA LYS A 66 -7.681 7.149 -12.592 1.00 71.12 H new ATOM 0 HB2 LYS A 66 -6.633 8.373 -10.017 1.00 2.21 H new ATOM 0 HB3 LYS A 66 -5.721 7.195 -10.940 1.00 2.21 H new ATOM 0 HG2 LYS A 66 -5.860 8.753 -12.930 1.00 52.33 H new ATOM 0 HG3 LYS A 66 -6.601 9.945 -11.881 1.00 52.33 H new ATOM 0 HD2 LYS A 66 -4.612 9.864 -10.381 1.00 2.04 H new ATOM 0 HD3 LYS A 66 -3.870 8.672 -11.430 1.00 2.04 H new ATOM 0 HE2 LYS A 66 -3.947 10.317 -13.315 1.00 10.34 H new ATOM 0 HE3 LYS A 66 -4.628 11.509 -12.226 1.00 10.34 H new ATOM 0 HZ1 LYS A 66 -2.248 11.782 -12.447 1.00 2.40 H new ATOM 0 HZ2 LYS A 66 -2.637 11.350 -10.851 1.00 2.40 H new ATOM 0 HZ3 LYS A 66 -1.977 10.195 -11.907 1.00 2.40 H new ATOM 1077 N VAL A 67 -7.688 4.957 -11.389 1.00 51.44 N ATOM 1078 CA VAL A 67 -7.828 3.645 -10.772 1.00 54.13 C ATOM 1079 C VAL A 67 -7.004 3.550 -9.483 1.00 42.43 C ATOM 1080 O VAL A 67 -7.490 3.057 -8.466 1.00 4.52 O ATOM 1081 CB VAL A 67 -7.409 2.525 -11.762 1.00 12.33 C ATOM 1082 CG1 VAL A 67 -6.048 2.810 -12.356 1.00 11.02 C ATOM 1083 CG2 VAL A 67 -7.412 1.154 -11.099 1.00 34.24 C ATOM 0 H VAL A 67 -7.294 4.934 -12.330 1.00 51.44 H new ATOM 0 HA VAL A 67 -8.879 3.509 -10.516 1.00 54.13 H new ATOM 0 HB VAL A 67 -8.148 2.514 -12.563 1.00 12.33 H new ATOM 0 HG11 VAL A 67 -5.778 2.011 -13.046 1.00 11.02 H new ATOM 0 HG12 VAL A 67 -6.077 3.758 -12.893 1.00 11.02 H new ATOM 0 HG13 VAL A 67 -5.307 2.867 -11.558 1.00 11.02 H new ATOM 0 HG21 VAL A 67 -7.113 0.398 -11.825 1.00 34.24 H new ATOM 0 HG22 VAL A 67 -6.711 1.152 -10.264 1.00 34.24 H new ATOM 0 HG23 VAL A 67 -8.414 0.929 -10.733 1.00 34.24 H new ATOM 1093 N ALA A 68 -5.774 4.054 -9.524 1.00 44.32 N ATOM 1094 CA ALA A 68 -4.869 3.973 -8.383 1.00 72.44 C ATOM 1095 C ALA A 68 -5.413 4.726 -7.178 1.00 14.23 C ATOM 1096 O ALA A 68 -5.360 4.229 -6.052 1.00 63.21 O ATOM 1097 CB ALA A 68 -3.499 4.505 -8.754 1.00 72.11 C ATOM 0 H ALA A 68 -5.380 4.525 -10.339 1.00 44.32 H new ATOM 0 HA ALA A 68 -4.782 2.922 -8.109 1.00 72.44 H new ATOM 0 HB1 ALA A 68 -2.836 4.437 -7.891 1.00 72.11 H new ATOM 0 HB2 ALA A 68 -3.089 3.915 -9.574 1.00 72.11 H new ATOM 0 HB3 ALA A 68 -3.585 5.546 -9.064 1.00 72.11 H new ATOM 1103 N ASN A 69 -5.940 5.918 -7.419 1.00 60.24 N ATOM 1104 CA ASN A 69 -6.462 6.747 -6.340 1.00 55.51 C ATOM 1105 C ASN A 69 -7.720 6.126 -5.757 1.00 14.20 C ATOM 1106 O ASN A 69 -7.874 6.035 -4.540 1.00 52.05 O ATOM 1107 CB ASN A 69 -6.780 8.155 -6.838 1.00 72.21 C ATOM 1108 CG ASN A 69 -7.067 9.113 -5.697 1.00 52.31 C ATOM 1109 OD1 ASN A 69 -6.447 9.036 -4.635 1.00 65.13 O ATOM 1110 ND2 ASN A 69 -8.017 10.009 -5.901 1.00 45.13 N ATOM 0 H ASN A 69 -6.018 6.332 -8.348 1.00 60.24 H new ATOM 0 HA ASN A 69 -5.695 6.810 -5.568 1.00 55.51 H new ATOM 0 HB2 ASN A 69 -5.940 8.530 -7.423 1.00 72.21 H new ATOM 0 HB3 ASN A 69 -7.642 8.117 -7.505 1.00 72.21 H new ATOM 0 HD21 ASN A 69 -8.261 10.671 -5.164 1.00 45.13 H new ATOM 0 HD22 ASN A 69 -8.506 10.039 -6.796 1.00 45.13 H new ATOM 1117 N ALA A 70 -8.618 5.699 -6.638 1.00 62.14 N ATOM 1118 CA ALA A 70 -9.852 5.049 -6.227 1.00 73.00 C ATOM 1119 C ALA A 70 -9.565 3.818 -5.372 1.00 43.22 C ATOM 1120 O ALA A 70 -10.175 3.626 -4.317 1.00 23.21 O ATOM 1121 CB ALA A 70 -10.661 4.666 -7.451 1.00 34.32 C ATOM 0 H ALA A 70 -8.511 5.793 -7.648 1.00 62.14 H new ATOM 0 HA ALA A 70 -10.427 5.749 -5.621 1.00 73.00 H new ATOM 0 HB1 ALA A 70 -11.585 4.179 -7.139 1.00 34.32 H new ATOM 0 HB2 ALA A 70 -10.899 5.562 -8.025 1.00 34.32 H new ATOM 0 HB3 ALA A 70 -10.082 3.981 -8.070 1.00 34.32 H new ATOM 1127 N LYS A 71 -8.628 2.990 -5.835 1.00 52.10 N ATOM 1128 CA LYS A 71 -8.176 1.836 -5.066 1.00 11.30 C ATOM 1129 C LYS A 71 -7.698 2.273 -3.700 1.00 30.23 C ATOM 1130 O LYS A 71 -8.064 1.694 -2.681 1.00 31.31 O ATOM 1131 CB LYS A 71 -7.018 1.130 -5.770 1.00 22.12 C ATOM 1132 CG LYS A 71 -7.418 0.373 -7.007 1.00 62.34 C ATOM 1133 CD LYS A 71 -6.240 -0.374 -7.617 1.00 4.30 C ATOM 1134 CE LYS A 71 -5.143 0.574 -8.087 1.00 70.10 C ATOM 1135 NZ LYS A 71 -4.001 -0.152 -8.704 1.00 31.01 N ATOM 0 H LYS A 71 -8.169 3.099 -6.739 1.00 52.10 H new ATOM 0 HA LYS A 71 -9.020 1.153 -4.973 1.00 11.30 H new ATOM 0 HB2 LYS A 71 -6.265 1.871 -6.039 1.00 22.12 H new ATOM 0 HB3 LYS A 71 -6.549 0.438 -5.070 1.00 22.12 H new ATOM 0 HG2 LYS A 71 -8.209 -0.335 -6.760 1.00 62.34 H new ATOM 0 HG3 LYS A 71 -7.828 1.066 -7.741 1.00 62.34 H new ATOM 0 HD2 LYS A 71 -5.830 -1.066 -6.882 1.00 4.30 H new ATOM 0 HD3 LYS A 71 -6.587 -0.972 -8.459 1.00 4.30 H new ATOM 0 HE2 LYS A 71 -5.557 1.277 -8.809 1.00 70.10 H new ATOM 0 HE3 LYS A 71 -4.784 1.160 -7.241 1.00 70.10 H new ATOM 0 HZ1 LYS A 71 -3.279 0.532 -9.009 1.00 31.01 H new ATOM 0 HZ2 LYS A 71 -3.588 -0.805 -8.008 1.00 31.01 H new ATOM 0 HZ3 LYS A 71 -4.337 -0.691 -9.527 1.00 31.01 H new ATOM 1149 N TYR A 72 -6.881 3.312 -3.704 1.00 32.40 N ATOM 1150 CA TYR A 72 -6.239 3.794 -2.502 1.00 41.43 C ATOM 1151 C TYR A 72 -7.266 4.106 -1.418 1.00 24.33 C ATOM 1152 O TYR A 72 -7.130 3.666 -0.275 1.00 42.23 O ATOM 1153 CB TYR A 72 -5.402 5.035 -2.837 1.00 23.12 C ATOM 1154 CG TYR A 72 -4.949 5.835 -1.640 1.00 53.21 C ATOM 1155 CD1 TYR A 72 -3.829 5.463 -0.907 1.00 32.41 C ATOM 1156 CD2 TYR A 72 -5.646 6.971 -1.250 1.00 13.01 C ATOM 1157 CE1 TYR A 72 -3.416 6.203 0.184 1.00 44.32 C ATOM 1158 CE2 TYR A 72 -5.239 7.717 -0.163 1.00 63.45 C ATOM 1159 CZ TYR A 72 -4.125 7.329 0.552 1.00 55.51 C ATOM 1160 OH TYR A 72 -3.719 8.069 1.639 1.00 23.12 O ATOM 0 H TYR A 72 -6.647 3.843 -4.543 1.00 32.40 H new ATOM 0 HA TYR A 72 -5.584 3.015 -2.113 1.00 41.43 H new ATOM 0 HB2 TYR A 72 -4.523 4.722 -3.401 1.00 23.12 H new ATOM 0 HB3 TYR A 72 -5.985 5.684 -3.490 1.00 23.12 H new ATOM 0 HD1 TYR A 72 -3.273 4.583 -1.194 1.00 32.41 H new ATOM 0 HD2 TYR A 72 -6.520 7.275 -1.806 1.00 13.01 H new ATOM 0 HE1 TYR A 72 -2.544 5.903 0.746 1.00 44.32 H new ATOM 0 HE2 TYR A 72 -5.790 8.600 0.126 1.00 63.45 H new ATOM 0 HH TYR A 72 -4.325 8.829 1.762 1.00 23.12 H new ATOM 1170 N ILE A 73 -8.300 4.843 -1.799 1.00 74.34 N ATOM 1171 CA ILE A 73 -9.339 5.264 -0.870 1.00 34.33 C ATOM 1172 C ILE A 73 -10.020 4.071 -0.211 1.00 64.32 C ATOM 1173 O ILE A 73 -10.071 3.979 1.017 1.00 5.13 O ATOM 1174 CB ILE A 73 -10.399 6.118 -1.584 1.00 53.42 C ATOM 1175 CG1 ILE A 73 -9.734 7.334 -2.226 1.00 71.31 C ATOM 1176 CG2 ILE A 73 -11.484 6.550 -0.602 1.00 41.21 C ATOM 1177 CD1 ILE A 73 -10.535 7.936 -3.354 1.00 43.20 C ATOM 0 H ILE A 73 -8.442 5.165 -2.756 1.00 74.34 H new ATOM 0 HA ILE A 73 -8.852 5.859 -0.098 1.00 34.33 H new ATOM 0 HB ILE A 73 -10.870 5.522 -2.366 1.00 53.42 H new ATOM 0 HG12 ILE A 73 -9.571 8.094 -1.462 1.00 71.31 H new ATOM 0 HG13 ILE A 73 -8.753 7.044 -2.602 1.00 71.31 H new ATOM 0 HG21 ILE A 73 -12.227 7.154 -1.123 1.00 41.21 H new ATOM 0 HG22 ILE A 73 -11.965 5.668 -0.180 1.00 41.21 H new ATOM 0 HG23 ILE A 73 -11.036 7.138 0.200 1.00 41.21 H new ATOM 0 HD11 ILE A 73 -10.001 8.795 -3.761 1.00 43.20 H new ATOM 0 HD12 ILE A 73 -10.676 7.192 -4.138 1.00 43.20 H new ATOM 0 HD13 ILE A 73 -11.507 8.257 -2.979 1.00 43.20 H new ATOM 1189 N MET A 74 -10.533 3.153 -1.024 1.00 13.04 N ATOM 1190 CA MET A 74 -11.269 2.015 -0.496 1.00 43.10 C ATOM 1191 C MET A 74 -10.356 1.126 0.344 1.00 23.45 C ATOM 1192 O MET A 74 -10.765 0.631 1.390 1.00 52.05 O ATOM 1193 CB MET A 74 -11.923 1.195 -1.614 1.00 54.31 C ATOM 1194 CG MET A 74 -10.937 0.486 -2.514 1.00 75.54 C ATOM 1195 SD MET A 74 -11.672 -0.910 -3.370 1.00 63.51 S ATOM 1196 CE MET A 74 -10.270 -2.011 -3.370 1.00 42.04 C ATOM 0 H MET A 74 -10.453 3.176 -2.041 1.00 13.04 H new ATOM 0 HA MET A 74 -12.063 2.408 0.139 1.00 43.10 H new ATOM 0 HB2 MET A 74 -12.588 0.456 -1.167 1.00 54.31 H new ATOM 0 HB3 MET A 74 -12.543 1.856 -2.220 1.00 54.31 H new ATOM 0 HG2 MET A 74 -10.545 1.192 -3.246 1.00 75.54 H new ATOM 0 HG3 MET A 74 -10.091 0.140 -1.920 1.00 75.54 H new ATOM 0 HE1 MET A 74 -10.511 -2.907 -3.943 1.00 42.04 H new ATOM 0 HE2 MET A 74 -9.414 -1.510 -3.822 1.00 42.04 H new ATOM 0 HE3 MET A 74 -10.027 -2.291 -2.345 1.00 42.04 H new ATOM 1206 N LYS A 75 -9.115 0.943 -0.097 1.00 42.42 N ATOM 1207 CA LYS A 75 -8.165 0.127 0.643 1.00 21.13 C ATOM 1208 C LYS A 75 -7.913 0.705 2.028 1.00 24.23 C ATOM 1209 O LYS A 75 -7.927 -0.021 3.017 1.00 23.20 O ATOM 1210 CB LYS A 75 -6.854 0.004 -0.129 1.00 45.11 C ATOM 1211 CG LYS A 75 -6.987 -0.819 -1.396 1.00 73.44 C ATOM 1212 CD LYS A 75 -5.772 -0.671 -2.286 1.00 73.41 C ATOM 1213 CE LYS A 75 -5.958 -1.408 -3.601 1.00 52.43 C ATOM 1214 NZ LYS A 75 -5.904 -2.881 -3.442 1.00 12.32 N ATOM 0 H LYS A 75 -8.748 1.347 -0.958 1.00 42.42 H new ATOM 0 HA LYS A 75 -8.594 -0.868 0.764 1.00 21.13 H new ATOM 0 HB2 LYS A 75 -6.495 1.001 -0.386 1.00 45.11 H new ATOM 0 HB3 LYS A 75 -6.101 -0.450 0.515 1.00 45.11 H new ATOM 0 HG2 LYS A 75 -7.123 -1.869 -1.136 1.00 73.44 H new ATOM 0 HG3 LYS A 75 -7.878 -0.508 -1.941 1.00 73.44 H new ATOM 0 HD2 LYS A 75 -5.588 0.385 -2.482 1.00 73.41 H new ATOM 0 HD3 LYS A 75 -4.892 -1.057 -1.771 1.00 73.41 H new ATOM 0 HE2 LYS A 75 -6.917 -1.128 -4.037 1.00 52.43 H new ATOM 0 HE3 LYS A 75 -5.185 -1.093 -4.302 1.00 52.43 H new ATOM 0 HZ1 LYS A 75 -5.501 -3.308 -4.300 1.00 12.32 H new ATOM 0 HZ2 LYS A 75 -5.309 -3.120 -2.624 1.00 12.32 H new ATOM 0 HZ3 LYS A 75 -6.865 -3.249 -3.291 1.00 12.32 H new ATOM 1228 N GLN A 76 -7.711 2.017 2.097 1.00 60.22 N ATOM 1229 CA GLN A 76 -7.478 2.689 3.374 1.00 4.30 C ATOM 1230 C GLN A 76 -8.700 2.587 4.285 1.00 73.15 C ATOM 1231 O GLN A 76 -8.590 2.751 5.501 1.00 24.35 O ATOM 1232 CB GLN A 76 -7.112 4.157 3.156 1.00 44.13 C ATOM 1233 CG GLN A 76 -5.754 4.361 2.501 1.00 60.25 C ATOM 1234 CD GLN A 76 -4.612 3.797 3.327 1.00 22.12 C ATOM 1235 OE1 GLN A 76 -4.057 4.479 4.187 1.00 42.10 O ATOM 1236 NE2 GLN A 76 -4.239 2.554 3.061 1.00 11.25 N ATOM 0 H GLN A 76 -7.704 2.636 1.287 1.00 60.22 H new ATOM 0 HA GLN A 76 -6.643 2.186 3.861 1.00 4.30 H new ATOM 0 HB2 GLN A 76 -7.877 4.624 2.537 1.00 44.13 H new ATOM 0 HB3 GLN A 76 -7.122 4.671 4.117 1.00 44.13 H new ATOM 0 HG2 GLN A 76 -5.755 3.888 1.519 1.00 60.25 H new ATOM 0 HG3 GLN A 76 -5.589 5.427 2.341 1.00 60.25 H new ATOM 0 HE21 GLN A 76 -4.724 2.019 2.340 1.00 11.25 H new ATOM 0 HE22 GLN A 76 -3.467 2.132 3.577 1.00 11.25 H new ATOM 1245 N ARG A 77 -9.862 2.319 3.697 1.00 10.01 N ATOM 1246 CA ARG A 77 -11.083 2.140 4.474 1.00 2.11 C ATOM 1247 C ARG A 77 -10.988 0.885 5.329 1.00 25.23 C ATOM 1248 O ARG A 77 -10.936 0.972 6.555 1.00 43.15 O ATOM 1249 CB ARG A 77 -12.313 2.058 3.566 1.00 73.11 C ATOM 1250 CG ARG A 77 -12.594 3.327 2.782 1.00 14.53 C ATOM 1251 CD ARG A 77 -12.827 4.513 3.701 1.00 33.32 C ATOM 1252 NE ARG A 77 -13.296 5.690 2.974 1.00 75.54 N ATOM 1253 CZ ARG A 77 -13.574 6.859 3.553 1.00 3.44 C ATOM 1254 NH1 ARG A 77 -13.361 7.032 4.856 1.00 64.44 N ATOM 1255 NH2 ARG A 77 -14.063 7.856 2.829 1.00 54.32 N ATOM 0 H ARG A 77 -9.983 2.221 2.689 1.00 10.01 H new ATOM 0 HA ARG A 77 -11.194 3.009 5.123 1.00 2.11 H new ATOM 0 HB2 ARG A 77 -12.179 1.234 2.865 1.00 73.11 H new ATOM 0 HB3 ARG A 77 -13.185 1.820 4.175 1.00 73.11 H new ATOM 0 HG2 ARG A 77 -11.755 3.539 2.119 1.00 14.53 H new ATOM 0 HG3 ARG A 77 -13.470 3.178 2.150 1.00 14.53 H new ATOM 0 HD2 ARG A 77 -13.559 4.243 4.462 1.00 33.32 H new ATOM 0 HD3 ARG A 77 -11.900 4.755 4.222 1.00 33.32 H new ATOM 0 HE ARG A 77 -13.418 5.613 1.964 1.00 75.54 H new ATOM 0 HH11 ARG A 77 -12.983 6.268 5.417 1.00 64.44 H new ATOM 0 HH12 ARG A 77 -13.575 7.928 5.293 1.00 64.44 H new ATOM 0 HH21 ARG A 77 -14.226 7.729 1.830 1.00 54.32 H new ATOM 0 HH22 ARG A 77 -14.276 8.750 3.271 1.00 54.32 H new ATOM 1269 N LEU A 78 -10.951 -0.287 4.687 1.00 73.22 N ATOM 1270 CA LEU A 78 -10.837 -1.540 5.433 1.00 24.40 C ATOM 1271 C LEU A 78 -9.542 -1.564 6.223 1.00 12.12 C ATOM 1272 O LEU A 78 -9.489 -2.127 7.312 1.00 2.33 O ATOM 1273 CB LEU A 78 -10.884 -2.773 4.530 1.00 44.42 C ATOM 1274 CG LEU A 78 -11.660 -2.622 3.229 1.00 12.03 C ATOM 1275 CD1 LEU A 78 -10.716 -2.303 2.081 1.00 71.31 C ATOM 1276 CD2 LEU A 78 -12.443 -3.882 2.937 1.00 24.42 C ATOM 0 H LEU A 78 -10.997 -0.393 3.674 1.00 73.22 H new ATOM 0 HA LEU A 78 -11.697 -1.580 6.102 1.00 24.40 H new ATOM 0 HB2 LEU A 78 -9.861 -3.060 4.288 1.00 44.42 H new ATOM 0 HB3 LEU A 78 -11.320 -3.596 5.096 1.00 44.42 H new ATOM 0 HG LEU A 78 -12.362 -1.795 3.336 1.00 12.03 H new ATOM 0 HD11 LEU A 78 -11.287 -2.198 1.159 1.00 71.31 H new ATOM 0 HD12 LEU A 78 -10.191 -1.371 2.290 1.00 71.31 H new ATOM 0 HD13 LEU A 78 -9.992 -3.110 1.970 1.00 71.31 H new ATOM 0 HD21 LEU A 78 -12.993 -3.760 2.004 1.00 24.42 H new ATOM 0 HD22 LEU A 78 -11.757 -4.724 2.846 1.00 24.42 H new ATOM 0 HD23 LEU A 78 -13.144 -4.071 3.750 1.00 24.42 H new ATOM 1288 N LEU A 79 -8.501 -0.950 5.664 1.00 71.33 N ATOM 1289 CA LEU A 79 -7.214 -0.842 6.338 1.00 31.32 C ATOM 1290 C LEU A 79 -7.404 -0.252 7.730 1.00 20.24 C ATOM 1291 O LEU A 79 -6.943 -0.813 8.719 1.00 22.25 O ATOM 1292 CB LEU A 79 -6.260 0.019 5.490 1.00 43.15 C ATOM 1293 CG LEU A 79 -4.806 0.138 5.973 1.00 72.02 C ATOM 1294 CD1 LEU A 79 -4.667 1.217 7.037 1.00 22.21 C ATOM 1295 CD2 LEU A 79 -4.300 -1.198 6.495 1.00 70.53 C ATOM 0 H LEU A 79 -8.527 -0.518 4.740 1.00 71.33 H new ATOM 0 HA LEU A 79 -6.773 -1.832 6.451 1.00 31.32 H new ATOM 0 HB2 LEU A 79 -6.248 -0.386 4.478 1.00 43.15 H new ATOM 0 HB3 LEU A 79 -6.678 1.024 5.426 1.00 43.15 H new ATOM 0 HG LEU A 79 -4.194 0.427 5.119 1.00 72.02 H new ATOM 0 HD11 LEU A 79 -3.628 1.278 7.360 1.00 22.21 H new ATOM 0 HD12 LEU A 79 -4.976 2.177 6.624 1.00 22.21 H new ATOM 0 HD13 LEU A 79 -5.298 0.970 7.891 1.00 22.21 H new ATOM 0 HD21 LEU A 79 -3.269 -1.090 6.831 1.00 70.53 H new ATOM 0 HD22 LEU A 79 -4.922 -1.522 7.329 1.00 70.53 H new ATOM 0 HD23 LEU A 79 -4.346 -1.941 5.699 1.00 70.53 H new ATOM 1307 N LYS A 80 -8.122 0.858 7.805 1.00 52.31 N ATOM 1308 CA LYS A 80 -8.390 1.497 9.085 1.00 44.21 C ATOM 1309 C LYS A 80 -9.305 0.636 9.941 1.00 0.44 C ATOM 1310 O LYS A 80 -9.238 0.681 11.162 1.00 11.43 O ATOM 1311 CB LYS A 80 -9.015 2.880 8.889 1.00 55.41 C ATOM 1312 CG LYS A 80 -8.062 4.028 9.186 1.00 20.54 C ATOM 1313 CD LYS A 80 -7.561 3.996 10.626 1.00 24.44 C ATOM 1314 CE LYS A 80 -8.704 4.069 11.628 1.00 22.24 C ATOM 1315 NZ LYS A 80 -8.212 4.113 13.031 1.00 24.35 N ATOM 0 H LYS A 80 -8.528 1.334 6.999 1.00 52.31 H new ATOM 0 HA LYS A 80 -7.436 1.614 9.598 1.00 44.21 H new ATOM 0 HB2 LYS A 80 -9.367 2.968 7.861 1.00 55.41 H new ATOM 0 HB3 LYS A 80 -9.889 2.969 9.534 1.00 55.41 H new ATOM 0 HG2 LYS A 80 -7.212 3.979 8.505 1.00 20.54 H new ATOM 0 HG3 LYS A 80 -8.567 4.976 8.999 1.00 20.54 H new ATOM 0 HD2 LYS A 80 -6.991 3.082 10.792 1.00 24.44 H new ATOM 0 HD3 LYS A 80 -6.880 4.830 10.792 1.00 24.44 H new ATOM 0 HE2 LYS A 80 -9.307 4.955 11.427 1.00 22.24 H new ATOM 0 HE3 LYS A 80 -9.355 3.205 11.499 1.00 22.24 H new ATOM 0 HZ1 LYS A 80 -9.010 3.975 13.683 1.00 24.35 H new ATOM 0 HZ2 LYS A 80 -7.511 3.359 13.177 1.00 24.35 H new ATOM 0 HZ3 LYS A 80 -7.770 5.036 13.215 1.00 24.35 H new ATOM 1329 N LEU A 81 -10.147 -0.155 9.298 1.00 55.25 N ATOM 1330 CA LEU A 81 -11.091 -0.996 10.014 1.00 51.54 C ATOM 1331 C LEU A 81 -10.380 -2.155 10.700 1.00 11.41 C ATOM 1332 O LEU A 81 -10.732 -2.520 11.817 1.00 60.31 O ATOM 1333 CB LEU A 81 -12.180 -1.505 9.070 1.00 1.25 C ATOM 1334 CG LEU A 81 -13.027 -0.406 8.423 1.00 14.12 C ATOM 1335 CD1 LEU A 81 -14.052 -1.002 7.478 1.00 31.10 C ATOM 1336 CD2 LEU A 81 -13.710 0.440 9.487 1.00 55.10 C ATOM 0 H LEU A 81 -10.196 -0.232 8.282 1.00 55.25 H new ATOM 0 HA LEU A 81 -11.565 -0.392 10.788 1.00 51.54 H new ATOM 0 HB2 LEU A 81 -11.713 -2.096 8.283 1.00 1.25 H new ATOM 0 HB3 LEU A 81 -12.838 -2.175 9.623 1.00 1.25 H new ATOM 0 HG LEU A 81 -12.364 0.237 7.845 1.00 14.12 H new ATOM 0 HD11 LEU A 81 -14.642 -0.202 7.030 1.00 31.10 H new ATOM 0 HD12 LEU A 81 -13.542 -1.560 6.693 1.00 31.10 H new ATOM 0 HD13 LEU A 81 -14.710 -1.673 8.031 1.00 31.10 H new ATOM 0 HD21 LEU A 81 -14.307 1.215 9.007 1.00 55.10 H new ATOM 0 HD22 LEU A 81 -14.357 -0.192 10.095 1.00 55.10 H new ATOM 0 HD23 LEU A 81 -12.956 0.904 10.122 1.00 55.10 H new ATOM 1348 N LEU A 82 -9.372 -2.721 10.048 1.00 74.10 N ATOM 1349 CA LEU A 82 -8.587 -3.791 10.655 1.00 64.15 C ATOM 1350 C LEU A 82 -7.539 -3.221 11.613 1.00 52.51 C ATOM 1351 O LEU A 82 -7.103 -3.899 12.543 1.00 50.10 O ATOM 1352 CB LEU A 82 -7.941 -4.681 9.582 1.00 12.41 C ATOM 1353 CG LEU A 82 -7.185 -3.958 8.464 1.00 54.21 C ATOM 1354 CD1 LEU A 82 -5.683 -3.984 8.697 1.00 4.51 C ATOM 1355 CD2 LEU A 82 -7.523 -4.574 7.121 1.00 24.25 C ATOM 0 H LEU A 82 -9.080 -2.460 9.106 1.00 74.10 H new ATOM 0 HA LEU A 82 -9.263 -4.418 11.236 1.00 64.15 H new ATOM 0 HB2 LEU A 82 -7.250 -5.364 10.075 1.00 12.41 H new ATOM 0 HB3 LEU A 82 -8.722 -5.291 9.128 1.00 12.41 H new ATOM 0 HG LEU A 82 -7.501 -2.915 8.467 1.00 54.21 H new ATOM 0 HD11 LEU A 82 -5.180 -3.462 7.884 1.00 4.51 H new ATOM 0 HD12 LEU A 82 -5.453 -3.492 9.642 1.00 4.51 H new ATOM 0 HD13 LEU A 82 -5.338 -5.017 8.733 1.00 4.51 H new ATOM 0 HD21 LEU A 82 -6.979 -4.051 6.334 1.00 24.25 H new ATOM 0 HD22 LEU A 82 -7.239 -5.626 7.121 1.00 24.25 H new ATOM 0 HD23 LEU A 82 -8.595 -4.488 6.941 1.00 24.25 H new ATOM 1367 N GLU A 83 -7.153 -1.969 11.392 1.00 2.44 N ATOM 1368 CA GLU A 83 -6.235 -1.270 12.292 1.00 32.31 C ATOM 1369 C GLU A 83 -6.943 -0.849 13.579 1.00 54.34 C ATOM 1370 O GLU A 83 -6.396 -0.964 14.677 1.00 32.22 O ATOM 1371 CB GLU A 83 -5.660 -0.033 11.599 1.00 24.54 C ATOM 1372 CG GLU A 83 -4.586 -0.345 10.572 1.00 22.40 C ATOM 1373 CD GLU A 83 -3.225 -0.533 11.200 1.00 33.23 C ATOM 1374 OE1 GLU A 83 -2.912 -1.657 11.642 1.00 52.44 O ATOM 1375 OE2 GLU A 83 -2.464 0.456 11.268 1.00 4.40 O ATOM 0 H GLU A 83 -7.462 -1.413 10.594 1.00 2.44 H new ATOM 0 HA GLU A 83 -5.427 -1.955 12.547 1.00 32.31 H new ATOM 0 HB2 GLU A 83 -6.471 0.507 11.110 1.00 24.54 H new ATOM 0 HB3 GLU A 83 -5.244 0.634 12.354 1.00 24.54 H new ATOM 0 HG2 GLU A 83 -4.860 -1.249 10.027 1.00 22.40 H new ATOM 0 HG3 GLU A 83 -4.538 0.464 9.843 1.00 22.40 H new ATOM 1382 N ASP A 84 -8.167 -0.368 13.428 1.00 4.21 N ATOM 1383 CA ASP A 84 -8.943 0.160 14.548 1.00 60.24 C ATOM 1384 C ASP A 84 -9.735 -0.957 15.202 1.00 4.21 C ATOM 1385 O ASP A 84 -10.110 -0.867 16.367 1.00 13.03 O ATOM 1386 CB ASP A 84 -9.908 1.242 14.047 1.00 4.12 C ATOM 1387 CG ASP A 84 -10.241 2.292 15.089 1.00 22.04 C ATOM 1388 OD1 ASP A 84 -10.609 1.936 16.224 1.00 11.33 O ATOM 1389 OD2 ASP A 84 -10.148 3.494 14.760 1.00 42.31 O ATOM 0 H ASP A 84 -8.652 -0.331 12.531 1.00 4.21 H new ATOM 0 HA ASP A 84 -8.259 0.592 15.278 1.00 60.24 H new ATOM 0 HB2 ASP A 84 -9.470 1.732 13.177 1.00 4.12 H new ATOM 0 HB3 ASP A 84 -10.831 0.767 13.715 1.00 4.12 H new ATOM 1394 N LYS A 85 -9.965 -2.017 14.434 1.00 32.03 N ATOM 1395 CA LYS A 85 -10.798 -3.131 14.862 1.00 12.41 C ATOM 1396 C LYS A 85 -12.242 -2.673 15.005 1.00 32.51 C ATOM 1397 O LYS A 85 -12.858 -2.793 16.063 1.00 4.11 O ATOM 1398 CB LYS A 85 -10.274 -3.751 16.159 1.00 24.41 C ATOM 1399 CG LYS A 85 -8.890 -4.361 16.011 1.00 42.35 C ATOM 1400 CD LYS A 85 -8.897 -5.498 15.005 1.00 50.24 C ATOM 1401 CE LYS A 85 -7.577 -6.254 14.996 1.00 71.42 C ATOM 1402 NZ LYS A 85 -6.422 -5.360 14.714 1.00 72.34 N ATOM 0 H LYS A 85 -9.578 -2.126 13.497 1.00 32.03 H new ATOM 0 HA LYS A 85 -10.758 -3.909 14.100 1.00 12.41 H new ATOM 0 HB2 LYS A 85 -10.246 -2.986 16.935 1.00 24.41 H new ATOM 0 HB3 LYS A 85 -10.970 -4.520 16.494 1.00 24.41 H new ATOM 0 HG2 LYS A 85 -8.184 -3.594 15.693 1.00 42.35 H new ATOM 0 HG3 LYS A 85 -8.546 -4.729 16.978 1.00 42.35 H new ATOM 0 HD2 LYS A 85 -9.708 -6.187 15.241 1.00 50.24 H new ATOM 0 HD3 LYS A 85 -9.095 -5.101 14.009 1.00 50.24 H new ATOM 0 HE2 LYS A 85 -7.432 -6.740 15.961 1.00 71.42 H new ATOM 0 HE3 LYS A 85 -7.616 -7.043 14.245 1.00 71.42 H new ATOM 0 HZ1 LYS A 85 -5.550 -5.924 14.667 1.00 72.34 H new ATOM 0 HZ2 LYS A 85 -6.571 -4.876 13.805 1.00 72.34 H new ATOM 0 HZ3 LYS A 85 -6.337 -4.653 15.472 1.00 72.34 H new ATOM 1416 N SER A 86 -12.765 -2.131 13.917 1.00 63.22 N ATOM 1417 CA SER A 86 -14.134 -1.653 13.880 1.00 13.14 C ATOM 1418 C SER A 86 -15.046 -2.691 13.226 1.00 0.12 C ATOM 1419 O SER A 86 -14.652 -3.380 12.280 1.00 31.10 O ATOM 1420 CB SER A 86 -14.198 -0.320 13.132 1.00 75.10 C ATOM 1421 OG SER A 86 -13.364 0.651 13.751 1.00 1.03 O ATOM 0 H SER A 86 -12.255 -2.011 13.042 1.00 63.22 H new ATOM 0 HA SER A 86 -14.484 -1.496 14.900 1.00 13.14 H new ATOM 0 HB2 SER A 86 -13.888 -0.464 12.097 1.00 75.10 H new ATOM 0 HB3 SER A 86 -15.227 0.040 13.110 1.00 75.10 H new ATOM 0 HG SER A 86 -13.420 1.494 13.255 1.00 1.03 H new ATOM 1427 N ASN A 87 -16.274 -2.777 13.719 1.00 53.00 N ATOM 1428 CA ASN A 87 -17.219 -3.816 13.303 1.00 31.34 C ATOM 1429 C ASN A 87 -17.647 -3.674 11.844 1.00 53.52 C ATOM 1430 O ASN A 87 -18.255 -4.583 11.287 1.00 61.51 O ATOM 1431 CB ASN A 87 -18.464 -3.785 14.192 1.00 43.21 C ATOM 1432 CG ASN A 87 -19.256 -2.496 14.046 1.00 61.50 C ATOM 1433 OD1 ASN A 87 -18.691 -1.422 13.833 1.00 74.43 O ATOM 1434 ND2 ASN A 87 -20.569 -2.599 14.142 1.00 13.23 N ATOM 0 H ASN A 87 -16.647 -2.133 14.417 1.00 53.00 H new ATOM 0 HA ASN A 87 -16.699 -4.768 13.408 1.00 31.34 H new ATOM 0 HB2 ASN A 87 -19.105 -4.631 13.943 1.00 43.21 H new ATOM 0 HB3 ASN A 87 -18.165 -3.907 15.233 1.00 43.21 H new ATOM 0 HD21 ASN A 87 -21.154 -1.770 14.039 1.00 13.23 H new ATOM 0 HD22 ASN A 87 -20.998 -3.507 14.319 1.00 13.23 H new ATOM 1441 N LEU A 88 -17.320 -2.546 11.229 1.00 24.44 N ATOM 1442 CA LEU A 88 -17.753 -2.262 9.862 1.00 0.24 C ATOM 1443 C LEU A 88 -17.307 -3.354 8.891 1.00 13.34 C ATOM 1444 O LEU A 88 -18.050 -3.727 7.985 1.00 53.42 O ATOM 1445 CB LEU A 88 -17.238 -0.898 9.390 1.00 74.22 C ATOM 1446 CG LEU A 88 -17.852 0.318 10.093 1.00 45.35 C ATOM 1447 CD1 LEU A 88 -19.359 0.150 10.223 1.00 62.31 C ATOM 1448 CD2 LEU A 88 -17.211 0.547 11.454 1.00 22.25 C ATOM 0 H LEU A 88 -16.756 -1.810 11.653 1.00 24.44 H new ATOM 0 HA LEU A 88 -18.843 -2.240 9.872 1.00 0.24 H new ATOM 0 HB2 LEU A 88 -16.157 -0.869 9.529 1.00 74.22 H new ATOM 0 HB3 LEU A 88 -17.424 -0.809 8.320 1.00 74.22 H new ATOM 0 HG LEU A 88 -17.655 1.200 9.483 1.00 45.35 H new ATOM 0 HD11 LEU A 88 -19.780 1.021 10.724 1.00 62.31 H new ATOM 0 HD12 LEU A 88 -19.801 0.053 9.231 1.00 62.31 H new ATOM 0 HD13 LEU A 88 -19.576 -0.745 10.807 1.00 62.31 H new ATOM 0 HD21 LEU A 88 -17.666 1.416 11.929 1.00 22.25 H new ATOM 0 HD22 LEU A 88 -17.364 -0.331 12.081 1.00 22.25 H new ATOM 0 HD23 LEU A 88 -16.142 0.721 11.328 1.00 22.25 H new ATOM 1460 N LEU A 89 -16.101 -3.868 9.088 1.00 72.24 N ATOM 1461 CA LEU A 89 -15.599 -4.951 8.252 1.00 5.35 C ATOM 1462 C LEU A 89 -15.520 -6.256 9.035 1.00 62.44 C ATOM 1463 O LEU A 89 -15.594 -7.340 8.468 1.00 64.33 O ATOM 1464 CB LEU A 89 -14.217 -4.605 7.687 1.00 42.50 C ATOM 1465 CG LEU A 89 -13.499 -5.764 7.003 1.00 23.03 C ATOM 1466 CD1 LEU A 89 -14.096 -6.051 5.637 1.00 74.05 C ATOM 1467 CD2 LEU A 89 -12.013 -5.476 6.911 1.00 12.45 C ATOM 0 H LEU A 89 -15.456 -3.556 9.814 1.00 72.24 H new ATOM 0 HA LEU A 89 -16.299 -5.080 7.426 1.00 5.35 H new ATOM 0 HB2 LEU A 89 -14.326 -3.790 6.971 1.00 42.50 H new ATOM 0 HB3 LEU A 89 -13.590 -4.235 8.498 1.00 42.50 H new ATOM 0 HG LEU A 89 -13.636 -6.661 7.607 1.00 23.03 H new ATOM 0 HD11 LEU A 89 -13.563 -6.882 5.174 1.00 74.05 H new ATOM 0 HD12 LEU A 89 -15.149 -6.311 5.747 1.00 74.05 H new ATOM 0 HD13 LEU A 89 -14.005 -5.166 5.007 1.00 74.05 H new ATOM 0 HD21 LEU A 89 -11.510 -6.310 6.421 1.00 12.45 H new ATOM 0 HD22 LEU A 89 -11.854 -4.566 6.333 1.00 12.45 H new ATOM 0 HD23 LEU A 89 -11.605 -5.345 7.913 1.00 12.45 H new ATOM 1479 N LEU A 90 -15.399 -6.137 10.343 1.00 34.23 N ATOM 1480 CA LEU A 90 -15.058 -7.276 11.188 1.00 51.15 C ATOM 1481 C LEU A 90 -16.235 -7.760 12.037 1.00 42.51 C ATOM 1482 O LEU A 90 -16.033 -8.444 13.040 1.00 65.53 O ATOM 1483 CB LEU A 90 -13.919 -6.863 12.109 1.00 64.11 C ATOM 1484 CG LEU A 90 -12.799 -6.079 11.430 1.00 51.21 C ATOM 1485 CD1 LEU A 90 -12.035 -5.278 12.459 1.00 52.22 C ATOM 1486 CD2 LEU A 90 -11.864 -7.009 10.675 1.00 60.23 C ATOM 0 H LEU A 90 -15.531 -5.262 10.850 1.00 34.23 H new ATOM 0 HA LEU A 90 -14.772 -8.102 10.536 1.00 51.15 H new ATOM 0 HB2 LEU A 90 -14.327 -6.259 12.919 1.00 64.11 H new ATOM 0 HB3 LEU A 90 -13.494 -7.759 12.562 1.00 64.11 H new ATOM 0 HG LEU A 90 -13.244 -5.395 10.708 1.00 51.21 H new ATOM 0 HD11 LEU A 90 -11.237 -4.721 11.968 1.00 52.22 H new ATOM 0 HD12 LEU A 90 -12.712 -4.582 12.954 1.00 52.22 H new ATOM 0 HD13 LEU A 90 -11.604 -5.953 13.199 1.00 52.22 H new ATOM 0 HD21 LEU A 90 -11.075 -6.425 10.201 1.00 60.23 H new ATOM 0 HD22 LEU A 90 -11.420 -7.721 11.370 1.00 60.23 H new ATOM 0 HD23 LEU A 90 -12.425 -7.548 9.912 1.00 60.23 H new ATOM 1498 N TYR A 91 -17.459 -7.413 11.652 1.00 1.53 N ATOM 1499 CA TYR A 91 -18.629 -7.825 12.425 1.00 42.21 C ATOM 1500 C TYR A 91 -18.835 -9.336 12.351 1.00 43.21 C ATOM 1501 O TYR A 91 -18.341 -10.004 11.432 1.00 75.21 O ATOM 1502 CB TYR A 91 -19.898 -7.101 11.953 1.00 30.04 C ATOM 1503 CG TYR A 91 -20.324 -7.430 10.538 1.00 14.43 C ATOM 1504 CD1 TYR A 91 -20.987 -8.619 10.247 1.00 70.52 C ATOM 1505 CD2 TYR A 91 -20.069 -6.550 9.496 1.00 24.14 C ATOM 1506 CE1 TYR A 91 -21.382 -8.916 8.964 1.00 35.41 C ATOM 1507 CE2 TYR A 91 -20.465 -6.841 8.205 1.00 70.20 C ATOM 1508 CZ TYR A 91 -21.119 -8.028 7.945 1.00 1.23 C ATOM 1509 OH TYR A 91 -21.515 -8.328 6.663 1.00 72.44 O ATOM 0 H TYR A 91 -17.667 -6.856 10.823 1.00 1.53 H new ATOM 0 HA TYR A 91 -18.440 -7.548 13.462 1.00 42.21 H new ATOM 0 HB2 TYR A 91 -20.715 -7.349 12.631 1.00 30.04 H new ATOM 0 HB3 TYR A 91 -19.736 -6.026 12.029 1.00 30.04 H new ATOM 0 HD1 TYR A 91 -21.195 -9.320 11.042 1.00 70.52 H new ATOM 0 HD2 TYR A 91 -19.553 -5.623 9.697 1.00 24.14 H new ATOM 0 HE1 TYR A 91 -21.897 -9.842 8.756 1.00 35.41 H new ATOM 0 HE2 TYR A 91 -20.264 -6.144 7.405 1.00 70.20 H new ATOM 0 HH TYR A 91 -21.256 -7.599 6.062 1.00 72.44 H new ATOM 1519 N SER A 92 -19.581 -9.860 13.314 1.00 44.14 N ATOM 1520 CA SER A 92 -19.869 -11.281 13.375 1.00 4.21 C ATOM 1521 C SER A 92 -20.958 -11.645 12.372 1.00 22.23 C ATOM 1522 O SER A 92 -21.969 -10.955 12.259 1.00 62.33 O ATOM 1523 CB SER A 92 -20.315 -11.668 14.787 1.00 35.03 C ATOM 1524 OG SER A 92 -19.413 -11.176 15.763 1.00 14.55 O ATOM 0 H SER A 92 -19.999 -9.315 14.068 1.00 44.14 H new ATOM 0 HA SER A 92 -18.961 -11.829 13.125 1.00 4.21 H new ATOM 0 HB2 SER A 92 -21.312 -11.272 14.977 1.00 35.03 H new ATOM 0 HB3 SER A 92 -20.383 -12.753 14.865 1.00 35.03 H new ATOM 0 HG SER A 92 -19.287 -11.851 16.462 1.00 14.55 H new ATOM 1530 N CYS A 93 -20.738 -12.719 11.637 1.00 64.51 N ATOM 1531 CA CYS A 93 -21.709 -13.195 10.665 1.00 13.21 C ATOM 1532 C CYS A 93 -21.821 -14.705 10.743 1.00 63.42 C ATOM 1533 O CYS A 93 -21.003 -15.353 11.389 1.00 24.13 O ATOM 1534 CB CYS A 93 -21.269 -12.825 9.266 1.00 2.33 C ATOM 1535 SG CYS A 93 -20.011 -13.961 8.612 1.00 61.33 S ATOM 0 H CYS A 93 -19.890 -13.283 11.694 1.00 64.51 H new ATOM 0 HA CYS A 93 -22.671 -12.734 10.888 1.00 13.21 H new ATOM 0 HB2 CYS A 93 -22.135 -12.826 8.604 1.00 2.33 H new ATOM 0 HB3 CYS A 93 -20.871 -11.810 9.270 1.00 2.33 H new ATOM 1540 N ASN A 94 -22.792 -15.268 10.046 1.00 25.03 N ATOM 1541 CA ASN A 94 -22.982 -16.705 10.061 1.00 3.11 C ATOM 1542 C ASN A 94 -22.653 -17.321 8.704 1.00 73.41 C ATOM 1543 O ASN A 94 -23.550 -17.635 7.928 1.00 42.33 O ATOM 1544 CB ASN A 94 -24.423 -17.052 10.457 1.00 61.13 C ATOM 1545 CG ASN A 94 -24.613 -18.535 10.730 1.00 43.32 C ATOM 1546 OD1 ASN A 94 -24.922 -19.316 9.830 1.00 2.03 O ATOM 1547 ND2 ASN A 94 -24.444 -18.928 11.981 1.00 2.20 N ATOM 0 H ASN A 94 -23.456 -14.755 9.467 1.00 25.03 H new ATOM 0 HA ASN A 94 -22.299 -17.122 10.801 1.00 3.11 H new ATOM 0 HB2 ASN A 94 -24.698 -16.484 11.346 1.00 61.13 H new ATOM 0 HB3 ASN A 94 -25.099 -16.743 9.660 1.00 61.13 H new ATOM 0 HD21 ASN A 94 -24.570 -19.909 12.229 1.00 2.20 H new ATOM 0 HD22 ASN A 94 -24.188 -18.250 12.698 1.00 2.20 H new ATOM 1554 N CYS A 95 -21.366 -17.432 8.377 1.00 71.32 N ATOM 1555 CA CYS A 95 -20.968 -18.278 7.266 1.00 62.42 C ATOM 1556 C CYS A 95 -20.582 -19.666 7.783 1.00 75.31 C ATOM 1557 O CYS A 95 -20.394 -20.603 7.007 1.00 72.14 O ATOM 1558 CB CYS A 95 -19.839 -17.634 6.463 1.00 51.15 C ATOM 1559 SG CYS A 95 -20.399 -16.197 5.499 1.00 1.53 S ATOM 0 H CYS A 95 -20.601 -16.957 8.856 1.00 71.32 H new ATOM 0 HA CYS A 95 -21.812 -18.393 6.586 1.00 62.42 H new ATOM 0 HB2 CYS A 95 -19.045 -17.324 7.143 1.00 51.15 H new ATOM 0 HB3 CYS A 95 -19.410 -18.375 5.788 1.00 51.15 H new ATOM 1564 N LYS A 96 -20.491 -19.785 9.112 1.00 0.45 N ATOM 1565 CA LYS A 96 -20.269 -21.071 9.774 1.00 65.35 C ATOM 1566 C LYS A 96 -20.968 -21.088 11.138 1.00 54.31 C ATOM 1567 O LYS A 96 -21.776 -21.971 11.425 1.00 43.21 O ATOM 1568 CB LYS A 96 -18.765 -21.371 9.923 1.00 32.24 C ATOM 1569 CG LYS A 96 -17.961 -20.284 10.626 1.00 1.23 C ATOM 1570 CD LYS A 96 -16.468 -20.600 10.633 1.00 61.43 C ATOM 1571 CE LYS A 96 -16.153 -21.868 11.409 1.00 54.42 C ATOM 1572 NZ LYS A 96 -14.700 -22.193 11.381 1.00 21.34 N ATOM 0 H LYS A 96 -20.569 -18.996 9.754 1.00 0.45 H new ATOM 0 HA LYS A 96 -20.698 -21.856 9.151 1.00 65.35 H new ATOM 0 HB2 LYS A 96 -18.648 -22.304 10.475 1.00 32.24 H new ATOM 0 HB3 LYS A 96 -18.341 -21.532 8.932 1.00 32.24 H new ATOM 0 HG2 LYS A 96 -18.128 -19.329 10.128 1.00 1.23 H new ATOM 0 HG3 LYS A 96 -18.315 -20.176 11.651 1.00 1.23 H new ATOM 0 HD2 LYS A 96 -16.116 -20.707 9.607 1.00 61.43 H new ATOM 0 HD3 LYS A 96 -15.923 -19.763 11.071 1.00 61.43 H new ATOM 0 HE2 LYS A 96 -16.478 -21.751 12.443 1.00 54.42 H new ATOM 0 HE3 LYS A 96 -16.719 -22.700 10.989 1.00 54.42 H new ATOM 0 HZ1 LYS A 96 -14.529 -23.065 11.922 1.00 21.34 H new ATOM 0 HZ2 LYS A 96 -14.394 -22.331 10.397 1.00 21.34 H new ATOM 0 HZ3 LYS A 96 -14.161 -21.411 11.805 1.00 21.34 H new ATOM 1586 N PHE A 97 -20.669 -20.095 11.963 1.00 70.42 N ATOM 1587 CA PHE A 97 -21.304 -19.945 13.265 1.00 64.52 C ATOM 1588 C PHE A 97 -21.324 -18.473 13.639 1.00 22.22 C ATOM 1589 O PHE A 97 -20.673 -17.668 12.973 1.00 64.31 O ATOM 1590 CB PHE A 97 -20.551 -20.737 14.343 1.00 64.34 C ATOM 1591 CG PHE A 97 -19.179 -20.196 14.654 1.00 2.45 C ATOM 1592 CD1 PHE A 97 -19.022 -19.099 15.490 1.00 1.01 C ATOM 1593 CD2 PHE A 97 -18.054 -20.781 14.110 1.00 10.44 C ATOM 1594 CE1 PHE A 97 -17.770 -18.599 15.772 1.00 44.22 C ATOM 1595 CE2 PHE A 97 -16.797 -20.287 14.389 1.00 11.32 C ATOM 1596 CZ PHE A 97 -16.653 -19.194 15.220 1.00 72.33 C ATOM 0 H PHE A 97 -19.981 -19.372 11.750 1.00 70.42 H new ATOM 0 HA PHE A 97 -22.320 -20.335 13.204 1.00 64.52 H new ATOM 0 HB2 PHE A 97 -21.145 -20.742 15.257 1.00 64.34 H new ATOM 0 HB3 PHE A 97 -20.457 -21.773 14.019 1.00 64.34 H new ATOM 0 HD1 PHE A 97 -19.893 -18.631 15.925 1.00 1.01 H new ATOM 0 HD2 PHE A 97 -18.159 -21.636 13.458 1.00 10.44 H new ATOM 0 HE1 PHE A 97 -17.662 -17.744 16.423 1.00 44.22 H new ATOM 0 HE2 PHE A 97 -15.925 -20.755 13.957 1.00 11.32 H new ATOM 0 HZ PHE A 97 -15.669 -18.805 15.438 1.00 72.33 H new ATOM 1606 N SER A 98 -22.036 -18.134 14.712 1.00 0.14 N ATOM 1607 CA SER A 98 -22.090 -16.760 15.198 1.00 31.32 C ATOM 1608 C SER A 98 -22.988 -16.645 16.418 1.00 34.34 C ATOM 1609 O SER A 98 -23.472 -17.644 16.953 1.00 21.51 O ATOM 1610 CB SER A 98 -22.585 -15.828 14.091 1.00 64.24 C ATOM 1611 OG SER A 98 -23.799 -16.297 13.520 1.00 44.35 O ATOM 0 H SER A 98 -22.584 -18.795 15.262 1.00 0.14 H new ATOM 0 HA SER A 98 -21.082 -16.465 15.490 1.00 31.32 H new ATOM 0 HB2 SER A 98 -22.735 -14.827 14.496 1.00 64.24 H new ATOM 0 HB3 SER A 98 -21.824 -15.747 13.315 1.00 64.24 H new ATOM 0 HG SER A 98 -24.329 -15.535 13.206 1.00 44.35 H new ATOM 1617 N LYS A 99 -23.190 -15.415 16.850 1.00 30.31 N ATOM 1618 CA LYS A 99 -23.980 -15.118 18.024 1.00 24.33 C ATOM 1619 C LYS A 99 -25.385 -14.722 17.602 1.00 74.23 C ATOM 1620 O LYS A 99 -25.577 -13.736 16.888 1.00 11.33 O ATOM 1621 CB LYS A 99 -23.277 -14.001 18.787 1.00 53.21 C ATOM 1622 CG LYS A 99 -21.775 -14.228 18.807 1.00 5.33 C ATOM 1623 CD LYS A 99 -20.992 -13.025 19.278 1.00 21.11 C ATOM 1624 CE LYS A 99 -21.362 -11.756 18.524 1.00 52.55 C ATOM 1625 NZ LYS A 99 -20.521 -10.604 18.943 1.00 1.52 N ATOM 0 H LYS A 99 -22.806 -14.589 16.391 1.00 30.31 H new ATOM 0 HA LYS A 99 -24.071 -15.988 18.674 1.00 24.33 H new ATOM 0 HB2 LYS A 99 -23.499 -13.041 18.322 1.00 53.21 H new ATOM 0 HB3 LYS A 99 -23.657 -13.956 19.808 1.00 53.21 H new ATOM 0 HG2 LYS A 99 -21.552 -15.074 19.456 1.00 5.33 H new ATOM 0 HG3 LYS A 99 -21.443 -14.499 17.805 1.00 5.33 H new ATOM 0 HD2 LYS A 99 -21.168 -12.875 20.343 1.00 21.11 H new ATOM 0 HD3 LYS A 99 -19.926 -13.219 19.156 1.00 21.11 H new ATOM 0 HE2 LYS A 99 -21.245 -11.922 17.453 1.00 52.55 H new ATOM 0 HE3 LYS A 99 -22.412 -11.522 18.698 1.00 52.55 H new ATOM 0 HZ1 LYS A 99 -20.801 -9.757 18.409 1.00 1.52 H new ATOM 0 HZ2 LYS A 99 -20.652 -10.431 19.960 1.00 1.52 H new ATOM 0 HZ3 LYS A 99 -19.521 -10.817 18.754 1.00 1.52 H new ATOM 1639 N LYS A 100 -26.357 -15.507 18.028 1.00 30.24 N ATOM 1640 CA LYS A 100 -27.722 -15.364 17.554 1.00 3.33 C ATOM 1641 C LYS A 100 -28.544 -14.498 18.495 1.00 70.42 C ATOM 1642 O LYS A 100 -28.683 -14.800 19.681 1.00 64.05 O ATOM 1643 CB LYS A 100 -28.372 -16.742 17.410 1.00 70.04 C ATOM 1644 CG LYS A 100 -29.751 -16.725 16.764 1.00 10.02 C ATOM 1645 CD LYS A 100 -29.690 -16.279 15.311 1.00 42.42 C ATOM 1646 CE LYS A 100 -30.163 -14.845 15.136 1.00 41.13 C ATOM 1647 NZ LYS A 100 -31.632 -14.707 15.343 1.00 35.02 N ATOM 0 H LYS A 100 -26.225 -16.256 18.707 1.00 30.24 H new ATOM 0 HA LYS A 100 -27.693 -14.873 16.581 1.00 3.33 H new ATOM 0 HB2 LYS A 100 -27.715 -17.380 16.818 1.00 70.04 H new ATOM 0 HB3 LYS A 100 -28.453 -17.197 18.397 1.00 70.04 H new ATOM 0 HG2 LYS A 100 -30.191 -17.721 16.820 1.00 10.02 H new ATOM 0 HG3 LYS A 100 -30.405 -16.056 17.322 1.00 10.02 H new ATOM 0 HD2 LYS A 100 -28.667 -16.371 14.946 1.00 42.42 H new ATOM 0 HD3 LYS A 100 -30.306 -16.941 14.702 1.00 42.42 H new ATOM 0 HE2 LYS A 100 -29.637 -14.202 15.841 1.00 41.13 H new ATOM 0 HE3 LYS A 100 -29.905 -14.499 14.135 1.00 41.13 H new ATOM 0 HZ1 LYS A 100 -32.099 -14.552 14.427 1.00 35.02 H new ATOM 0 HZ2 LYS A 100 -32.004 -15.575 15.779 1.00 35.02 H new ATOM 0 HZ3 LYS A 100 -31.820 -13.897 15.968 1.00 35.02 H new ATOM 1661 N LYS A 101 -29.064 -13.410 17.960 1.00 64.51 N ATOM 1662 CA LYS A 101 -29.970 -12.548 18.696 1.00 5.45 C ATOM 1663 C LYS A 101 -31.405 -12.863 18.318 1.00 34.44 C ATOM 1664 O LYS A 101 -32.082 -13.569 19.092 1.00 37.58 O ATOM 1665 CB LYS A 101 -29.659 -11.073 18.431 1.00 54.24 C ATOM 1666 CG LYS A 101 -28.593 -10.505 19.352 1.00 55.42 C ATOM 1667 CD LYS A 101 -27.289 -11.276 19.246 1.00 20.05 C ATOM 1668 CE LYS A 101 -26.365 -10.952 20.405 1.00 3.53 C ATOM 1669 NZ LYS A 101 -26.936 -11.383 21.713 1.00 1.14 N ATOM 1670 OXT LYS A 101 -31.840 -12.436 17.232 1.00 37.58 O ATOM 0 H LYS A 101 -28.872 -13.099 17.008 1.00 64.51 H new ATOM 0 HA LYS A 101 -29.834 -12.734 19.761 1.00 5.45 H new ATOM 0 HB2 LYS A 101 -29.334 -10.958 17.397 1.00 54.24 H new ATOM 0 HB3 LYS A 101 -30.574 -10.491 18.544 1.00 54.24 H new ATOM 0 HG2 LYS A 101 -28.418 -9.458 19.104 1.00 55.42 H new ATOM 0 HG3 LYS A 101 -28.949 -10.533 20.382 1.00 55.42 H new ATOM 0 HD2 LYS A 101 -27.496 -12.346 19.231 1.00 20.05 H new ATOM 0 HD3 LYS A 101 -26.795 -11.033 18.305 1.00 20.05 H new ATOM 0 HE2 LYS A 101 -25.404 -11.442 20.250 1.00 3.53 H new ATOM 0 HE3 LYS A 101 -26.175 -9.879 20.428 1.00 3.53 H new ATOM 0 HZ1 LYS A 101 -26.167 -11.512 22.402 1.00 1.14 H new ATOM 0 HZ2 LYS A 101 -27.595 -10.657 22.060 1.00 1.14 H new ATOM 0 HZ3 LYS A 101 -27.445 -12.282 21.590 1.00 1.14 H new TER 1684 LYS A 101 HETATM 1685 ZN ZN A 201 -19.889 -14.068 6.306 1.00 41.43 ZN