USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 657 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 Single : A 1 SER N :NH3+ 152:sc= 0.0039 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00695 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -91:sc= -4.03! USER MOD Single : A 17 LYS NZ :NH3+ -163:sc=-0.00391 (180deg=-0.29) USER MOD Single : A 21 ASN :FLIP amide:sc= -5.3! C(o=-8.8!,f=-5.3!) USER MOD Single : A 22 ASN :FLIP amide:sc= -4.78! C(o=-10!,f=-4.8!) USER MOD Single : A 23 LYS NZ :NH3+ 177:sc= -1.08 (180deg=-1.12) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.00473) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 155:sc= -0.304 (180deg=-1.96!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -1.66 K(o=-1.7,f=-4.4!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -43:sc= 0.182 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -161:sc= -1.46 (180deg=-3.26!) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -2.37 F(o=-3.1!,f=-2.4) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 22.928 3.832 11.013 1.00 0.00 N ATOM 2 CA SER A 1 22.378 4.209 9.680 1.00 0.00 C ATOM 3 C SER A 1 21.230 3.265 9.317 1.00 0.00 C ATOM 4 O SER A 1 20.103 3.681 9.140 1.00 0.00 O ATOM 5 CB SER A 1 23.479 4.099 8.624 1.00 0.00 C ATOM 6 OG SER A 1 24.552 4.964 8.973 1.00 0.00 O ATOM 0 H1 SER A 1 23.931 4.103 11.064 1.00 0.00 H new ATOM 0 H2 SER A 1 22.398 4.325 11.759 1.00 0.00 H new ATOM 0 H3 SER A 1 22.840 2.804 11.147 1.00 0.00 H new ATOM 0 HA SER A 1 22.010 5.234 9.716 1.00 0.00 H new ATOM 0 HB2 SER A 1 23.833 3.070 8.557 1.00 0.00 H new ATOM 0 HB3 SER A 1 23.086 4.366 7.643 1.00 0.00 H new ATOM 0 HG SER A 1 25.260 4.895 8.299 1.00 0.00 H new ATOM 14 N ASP A 2 21.509 1.995 9.207 1.00 0.00 N ATOM 15 CA ASP A 2 20.435 1.025 8.857 1.00 0.00 C ATOM 16 C ASP A 2 19.440 0.931 10.015 1.00 0.00 C ATOM 17 O ASP A 2 19.294 -0.101 10.639 1.00 0.00 O ATOM 18 CB ASP A 2 21.056 -0.349 8.597 1.00 0.00 C ATOM 19 CG ASP A 2 21.937 -0.281 7.349 1.00 0.00 C ATOM 20 OD1 ASP A 2 22.761 0.616 7.277 1.00 0.00 O ATOM 21 OD2 ASP A 2 21.774 -1.127 6.485 1.00 0.00 O ATOM 0 H ASP A 2 22.434 1.588 9.344 1.00 0.00 H new ATOM 0 HA ASP A 2 19.915 1.361 7.960 1.00 0.00 H new ATOM 0 HB2 ASP A 2 21.648 -0.661 9.457 1.00 0.00 H new ATOM 0 HB3 ASP A 2 20.272 -1.095 8.462 1.00 0.00 H new ATOM 26 N VAL A 3 18.758 2.007 10.311 1.00 0.00 N ATOM 27 CA VAL A 3 17.772 1.998 11.431 1.00 0.00 C ATOM 28 C VAL A 3 16.367 1.725 10.890 1.00 0.00 C ATOM 29 O VAL A 3 15.636 0.912 11.418 1.00 0.00 O ATOM 30 CB VAL A 3 17.789 3.355 12.123 1.00 0.00 C ATOM 31 CG1 VAL A 3 16.809 3.349 13.299 1.00 0.00 C ATOM 32 CG2 VAL A 3 19.202 3.650 12.633 1.00 0.00 C ATOM 0 H VAL A 3 18.843 2.897 9.821 1.00 0.00 H new ATOM 0 HA VAL A 3 18.041 1.215 12.140 1.00 0.00 H new ATOM 0 HB VAL A 3 17.491 4.126 11.412 1.00 0.00 H new ATOM 0 HG11 VAL A 3 16.825 4.322 13.791 1.00 0.00 H new ATOM 0 HG12 VAL A 3 15.803 3.144 12.933 1.00 0.00 H new ATOM 0 HG13 VAL A 3 17.101 2.577 14.012 1.00 0.00 H new ATOM 0 HG21 VAL A 3 19.215 4.621 13.128 1.00 0.00 H new ATOM 0 HG22 VAL A 3 19.502 2.877 13.341 1.00 0.00 H new ATOM 0 HG23 VAL A 3 19.897 3.662 11.793 1.00 0.00 H new ATOM 42 N TYR A 4 15.977 2.407 9.848 1.00 0.00 N ATOM 43 CA TYR A 4 14.611 2.195 9.285 1.00 0.00 C ATOM 44 C TYR A 4 14.581 0.888 8.482 1.00 0.00 C ATOM 45 O TYR A 4 13.646 0.117 8.579 1.00 0.00 O ATOM 46 CB TYR A 4 14.248 3.387 8.376 1.00 0.00 C ATOM 47 CG TYR A 4 13.603 4.496 9.188 1.00 0.00 C ATOM 48 CD1 TYR A 4 14.030 4.760 10.499 1.00 0.00 C ATOM 49 CD2 TYR A 4 12.575 5.262 8.624 1.00 0.00 C ATOM 50 CE1 TYR A 4 13.429 5.784 11.239 1.00 0.00 C ATOM 51 CE2 TYR A 4 11.975 6.287 9.365 1.00 0.00 C ATOM 52 CZ TYR A 4 12.402 6.549 10.672 1.00 0.00 C ATOM 53 OH TYR A 4 11.810 7.558 11.404 1.00 0.00 O ATOM 0 H TYR A 4 16.544 3.102 9.362 1.00 0.00 H new ATOM 0 HA TYR A 4 13.884 2.126 10.094 1.00 0.00 H new ATOM 0 HB2 TYR A 4 15.145 3.763 7.883 1.00 0.00 H new ATOM 0 HB3 TYR A 4 13.567 3.059 7.591 1.00 0.00 H new ATOM 0 HD1 TYR A 4 14.823 4.172 10.937 1.00 0.00 H new ATOM 0 HD2 TYR A 4 12.245 5.062 7.616 1.00 0.00 H new ATOM 0 HE1 TYR A 4 13.757 5.985 12.248 1.00 0.00 H new ATOM 0 HE2 TYR A 4 11.182 6.876 8.928 1.00 0.00 H new ATOM 0 HH TYR A 4 11.117 7.991 10.863 1.00 0.00 H new ATOM 63 N CYS A 5 15.589 0.629 7.692 1.00 0.00 N ATOM 64 CA CYS A 5 15.597 -0.633 6.893 1.00 0.00 C ATOM 65 C CYS A 5 15.246 -1.813 7.808 1.00 0.00 C ATOM 66 O CYS A 5 14.582 -2.749 7.405 1.00 0.00 O ATOM 67 CB CYS A 5 16.987 -0.843 6.276 1.00 0.00 C ATOM 68 SG CYS A 5 17.081 0.030 4.693 1.00 0.00 S ATOM 0 H CYS A 5 16.402 1.231 7.565 1.00 0.00 H new ATOM 0 HA CYS A 5 14.860 -0.566 6.092 1.00 0.00 H new ATOM 0 HB2 CYS A 5 17.757 -0.474 6.953 1.00 0.00 H new ATOM 0 HB3 CYS A 5 17.175 -1.907 6.129 1.00 0.00 H new ATOM 73 N GLU A 6 15.686 -1.776 9.036 1.00 0.00 N ATOM 74 CA GLU A 6 15.376 -2.892 9.975 1.00 0.00 C ATOM 75 C GLU A 6 13.968 -2.701 10.542 1.00 0.00 C ATOM 76 O GLU A 6 13.109 -3.546 10.394 1.00 0.00 O ATOM 77 CB GLU A 6 16.391 -2.892 11.120 1.00 0.00 C ATOM 78 CG GLU A 6 17.795 -3.118 10.557 1.00 0.00 C ATOM 79 CD GLU A 6 18.803 -3.173 11.708 1.00 0.00 C ATOM 80 OE1 GLU A 6 18.739 -4.116 12.478 1.00 0.00 O ATOM 81 OE2 GLU A 6 19.619 -2.271 11.798 1.00 0.00 O ATOM 0 H GLU A 6 16.247 -1.021 9.430 1.00 0.00 H new ATOM 0 HA GLU A 6 15.429 -3.842 9.443 1.00 0.00 H new ATOM 0 HB2 GLU A 6 16.351 -1.944 11.656 1.00 0.00 H new ATOM 0 HB3 GLU A 6 16.145 -3.674 11.838 1.00 0.00 H new ATOM 0 HG2 GLU A 6 17.825 -4.047 9.988 1.00 0.00 H new ATOM 0 HG3 GLU A 6 18.056 -2.314 9.869 1.00 0.00 H new ATOM 88 N VAL A 7 13.726 -1.593 11.189 1.00 0.00 N ATOM 89 CA VAL A 7 12.374 -1.345 11.764 1.00 0.00 C ATOM 90 C VAL A 7 11.310 -1.615 10.697 1.00 0.00 C ATOM 91 O VAL A 7 10.364 -2.344 10.919 1.00 0.00 O ATOM 92 CB VAL A 7 12.278 0.112 12.221 1.00 0.00 C ATOM 93 CG1 VAL A 7 10.874 0.386 12.766 1.00 0.00 C ATOM 94 CG2 VAL A 7 13.313 0.377 13.318 1.00 0.00 C ATOM 0 H VAL A 7 14.407 -0.849 11.344 1.00 0.00 H new ATOM 0 HA VAL A 7 12.212 -2.006 12.615 1.00 0.00 H new ATOM 0 HB VAL A 7 12.473 0.769 11.374 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.806 1.424 13.091 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.138 0.202 11.984 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.677 -0.273 13.612 1.00 0.00 H new ATOM 0 HG21 VAL A 7 13.242 1.415 13.642 1.00 0.00 H new ATOM 0 HG22 VAL A 7 13.121 -0.281 14.166 1.00 0.00 H new ATOM 0 HG23 VAL A 7 14.313 0.185 12.929 1.00 0.00 H new ATOM 104 N CYS A 8 11.459 -1.029 9.542 1.00 0.00 N ATOM 105 CA CYS A 8 10.459 -1.241 8.457 1.00 0.00 C ATOM 106 C CYS A 8 10.279 -2.741 8.197 1.00 0.00 C ATOM 107 O CYS A 8 9.175 -3.228 8.060 1.00 0.00 O ATOM 108 CB CYS A 8 10.955 -0.562 7.178 1.00 0.00 C ATOM 109 SG CYS A 8 12.367 -1.486 6.516 1.00 0.00 S ATOM 0 H CYS A 8 12.233 -0.410 9.301 1.00 0.00 H new ATOM 0 HA CYS A 8 9.503 -0.813 8.759 1.00 0.00 H new ATOM 0 HB2 CYS A 8 10.154 -0.522 6.440 1.00 0.00 H new ATOM 0 HB3 CYS A 8 11.246 0.467 7.389 1.00 0.00 H new ATOM 114 N GLU A 9 11.357 -3.473 8.118 1.00 0.00 N ATOM 115 CA GLU A 9 11.230 -4.952 7.851 1.00 0.00 C ATOM 116 C GLU A 9 10.313 -5.585 8.898 1.00 0.00 C ATOM 117 O GLU A 9 9.609 -6.537 8.625 1.00 0.00 O ATOM 118 CB GLU A 9 12.595 -5.676 7.893 1.00 0.00 C ATOM 119 CG GLU A 9 12.369 -7.170 7.650 1.00 0.00 C ATOM 120 CD GLU A 9 13.711 -7.848 7.367 1.00 0.00 C ATOM 121 OE1 GLU A 9 14.298 -7.551 6.340 1.00 0.00 O ATOM 122 OE2 GLU A 9 14.128 -8.653 8.184 1.00 0.00 O ATOM 0 H GLU A 9 12.310 -3.126 8.224 1.00 0.00 H new ATOM 0 HA GLU A 9 10.816 -5.063 6.849 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.262 -5.267 7.134 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.076 -5.519 8.859 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.896 -7.624 8.521 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.692 -7.314 6.808 1.00 0.00 H new ATOM 129 N PHE A 10 10.322 -5.076 10.100 1.00 0.00 N ATOM 130 CA PHE A 10 9.460 -5.663 11.167 1.00 0.00 C ATOM 131 C PHE A 10 8.035 -5.114 11.058 1.00 0.00 C ATOM 132 O PHE A 10 7.101 -5.685 11.585 1.00 0.00 O ATOM 133 CB PHE A 10 10.039 -5.301 12.536 1.00 0.00 C ATOM 134 CG PHE A 10 9.126 -5.817 13.625 1.00 0.00 C ATOM 135 CD1 PHE A 10 9.121 -7.179 13.944 1.00 0.00 C ATOM 136 CD2 PHE A 10 8.285 -4.933 14.313 1.00 0.00 C ATOM 137 CE1 PHE A 10 8.275 -7.658 14.953 1.00 0.00 C ATOM 138 CE2 PHE A 10 7.440 -5.412 15.322 1.00 0.00 C ATOM 139 CZ PHE A 10 7.435 -6.775 15.640 1.00 0.00 C ATOM 0 H PHE A 10 10.889 -4.279 10.390 1.00 0.00 H new ATOM 0 HA PHE A 10 9.432 -6.746 11.048 1.00 0.00 H new ATOM 0 HB2 PHE A 10 11.034 -5.732 12.647 1.00 0.00 H new ATOM 0 HB3 PHE A 10 10.149 -4.220 12.621 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.769 -7.861 13.413 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.288 -3.882 14.065 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.271 -8.709 15.200 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.793 -4.730 15.854 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.782 -7.145 16.416 1.00 0.00 H new ATOM 149 N LEU A 11 7.854 -4.005 10.390 1.00 0.00 N ATOM 150 CA LEU A 11 6.484 -3.420 10.266 1.00 0.00 C ATOM 151 C LEU A 11 5.789 -3.954 9.011 1.00 0.00 C ATOM 152 O LEU A 11 4.628 -4.312 9.042 1.00 0.00 O ATOM 153 CB LEU A 11 6.588 -1.895 10.172 1.00 0.00 C ATOM 154 CG LEU A 11 7.225 -1.332 11.450 1.00 0.00 C ATOM 155 CD1 LEU A 11 7.443 0.174 11.280 1.00 0.00 C ATOM 156 CD2 LEU A 11 6.308 -1.593 12.662 1.00 0.00 C ATOM 0 H LEU A 11 8.594 -3.479 9.925 1.00 0.00 H new ATOM 0 HA LEU A 11 5.901 -3.701 11.143 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.186 -1.616 9.304 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.598 -1.463 10.029 1.00 0.00 H new ATOM 0 HG LEU A 11 8.181 -1.825 11.624 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.895 0.581 12.185 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.104 0.353 10.432 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.485 0.663 11.102 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.771 -1.189 13.562 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.345 -1.109 12.501 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.159 -2.666 12.781 1.00 0.00 H new ATOM 168 N VAL A 12 6.475 -3.998 7.902 1.00 0.00 N ATOM 169 CA VAL A 12 5.828 -4.494 6.656 1.00 0.00 C ATOM 170 C VAL A 12 5.670 -6.019 6.714 1.00 0.00 C ATOM 171 O VAL A 12 4.778 -6.571 6.109 1.00 0.00 O ATOM 172 CB VAL A 12 6.672 -4.091 5.445 1.00 0.00 C ATOM 173 CG1 VAL A 12 6.851 -2.568 5.442 1.00 0.00 C ATOM 174 CG2 VAL A 12 8.048 -4.777 5.497 1.00 0.00 C ATOM 0 H VAL A 12 7.450 -3.714 7.805 1.00 0.00 H new ATOM 0 HA VAL A 12 4.838 -4.048 6.563 1.00 0.00 H new ATOM 0 HB VAL A 12 6.163 -4.405 4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.452 -2.274 4.581 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.875 -2.087 5.384 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.354 -2.259 6.358 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.636 -4.480 4.629 1.00 0.00 H new ATOM 0 HG22 VAL A 12 8.569 -4.479 6.407 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.916 -5.859 5.492 1.00 0.00 H new ATOM 184 N LYS A 13 6.522 -6.695 7.440 1.00 0.00 N ATOM 185 CA LYS A 13 6.419 -8.186 7.549 1.00 0.00 C ATOM 186 C LYS A 13 5.391 -8.554 8.626 1.00 0.00 C ATOM 187 O LYS A 13 4.622 -9.480 8.468 1.00 0.00 O ATOM 188 CB LYS A 13 7.789 -8.749 7.924 1.00 0.00 C ATOM 189 CG LYS A 13 7.746 -10.302 8.026 1.00 0.00 C ATOM 190 CD LYS A 13 8.317 -10.775 9.373 1.00 0.00 C ATOM 191 CE LYS A 13 7.274 -10.576 10.476 1.00 0.00 C ATOM 192 NZ LYS A 13 7.790 -11.140 11.755 1.00 0.00 N ATOM 0 H LYS A 13 7.290 -6.278 7.966 1.00 0.00 H new ATOM 0 HA LYS A 13 6.098 -8.607 6.596 1.00 0.00 H new ATOM 0 HB2 LYS A 13 8.525 -8.450 7.178 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.111 -8.327 8.876 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.719 -10.650 7.919 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.318 -10.741 7.209 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.598 -11.826 9.311 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.223 -10.217 9.611 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.054 -9.515 10.596 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.340 -11.066 10.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.082 -11.005 12.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.978 -12.156 11.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.670 -10.653 12.019 1.00 0.00 H new ATOM 206 N GLU A 14 5.362 -7.837 9.717 1.00 0.00 N ATOM 207 CA GLU A 14 4.367 -8.156 10.782 1.00 0.00 C ATOM 208 C GLU A 14 2.972 -7.811 10.258 1.00 0.00 C ATOM 209 O GLU A 14 2.089 -8.640 10.195 1.00 0.00 O ATOM 210 CB GLU A 14 4.667 -7.329 12.033 1.00 0.00 C ATOM 211 CG GLU A 14 3.789 -7.816 13.189 1.00 0.00 C ATOM 212 CD GLU A 14 4.256 -9.203 13.634 1.00 0.00 C ATOM 213 OE1 GLU A 14 5.457 -9.405 13.713 1.00 0.00 O ATOM 214 OE2 GLU A 14 3.405 -10.039 13.890 1.00 0.00 O ATOM 0 H GLU A 14 5.979 -7.050 9.917 1.00 0.00 H new ATOM 0 HA GLU A 14 4.420 -9.214 11.039 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.720 -7.420 12.299 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.478 -6.273 11.838 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.846 -7.116 14.023 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.746 -7.855 12.876 1.00 0.00 H new ATOM 221 N VAL A 15 2.771 -6.592 9.859 1.00 0.00 N ATOM 222 CA VAL A 15 1.444 -6.194 9.313 1.00 0.00 C ATOM 223 C VAL A 15 0.995 -7.253 8.308 1.00 0.00 C ATOM 224 O VAL A 15 -0.144 -7.659 8.299 1.00 0.00 O ATOM 225 CB VAL A 15 1.554 -4.816 8.647 1.00 0.00 C ATOM 226 CG1 VAL A 15 2.315 -4.925 7.323 1.00 0.00 C ATOM 227 CG2 VAL A 15 0.151 -4.257 8.395 1.00 0.00 C ATOM 0 H VAL A 15 3.469 -5.849 9.886 1.00 0.00 H new ATOM 0 HA VAL A 15 0.707 -6.125 10.113 1.00 0.00 H new ATOM 0 HB VAL A 15 2.100 -4.144 9.309 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.385 -3.940 6.862 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.317 -5.311 7.510 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.785 -5.602 6.653 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.229 -3.278 7.922 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.398 -4.934 7.740 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.378 -4.161 9.343 1.00 0.00 H new ATOM 237 N THR A 16 1.895 -7.728 7.490 1.00 0.00 N ATOM 238 CA THR A 16 1.522 -8.785 6.514 1.00 0.00 C ATOM 239 C THR A 16 0.850 -9.939 7.268 1.00 0.00 C ATOM 240 O THR A 16 -0.170 -10.448 6.860 1.00 0.00 O ATOM 241 CB THR A 16 2.794 -9.282 5.803 1.00 0.00 C ATOM 242 OG1 THR A 16 3.903 -8.654 6.394 1.00 0.00 O ATOM 243 CG2 THR A 16 2.739 -8.924 4.319 1.00 0.00 C ATOM 0 H THR A 16 2.870 -7.429 7.457 1.00 0.00 H new ATOM 0 HA THR A 16 0.830 -8.391 5.770 1.00 0.00 H new ATOM 0 HB THR A 16 2.872 -10.365 5.899 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.101 -7.822 5.916 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.643 -9.280 3.825 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.868 -9.394 3.863 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.667 -7.842 4.208 1.00 0.00 H new ATOM 251 N LYS A 17 1.426 -10.361 8.362 1.00 0.00 N ATOM 252 CA LYS A 17 0.821 -11.486 9.131 1.00 0.00 C ATOM 253 C LYS A 17 -0.674 -11.220 9.327 1.00 0.00 C ATOM 254 O LYS A 17 -1.491 -12.112 9.213 1.00 0.00 O ATOM 255 CB LYS A 17 1.511 -11.614 10.498 1.00 0.00 C ATOM 256 CG LYS A 17 2.933 -12.184 10.325 1.00 0.00 C ATOM 257 CD LYS A 17 2.896 -13.718 10.324 1.00 0.00 C ATOM 258 CE LYS A 17 4.302 -14.262 10.060 1.00 0.00 C ATOM 259 NZ LYS A 17 4.669 -14.014 8.637 1.00 0.00 N ATOM 0 H LYS A 17 2.286 -9.977 8.755 1.00 0.00 H new ATOM 0 HA LYS A 17 0.955 -12.416 8.579 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.559 -10.639 10.982 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.927 -12.265 11.149 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.365 -11.823 9.392 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.575 -11.830 11.132 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.527 -14.084 11.282 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.207 -14.075 9.559 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.021 -13.779 10.722 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.337 -15.330 10.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.474 -14.618 8.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.857 -14.236 8.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.932 -13.015 8.515 1.00 0.00 H new ATOM 273 N LEU A 18 -1.043 -9.998 9.615 1.00 0.00 N ATOM 274 CA LEU A 18 -2.493 -9.681 9.809 1.00 0.00 C ATOM 275 C LEU A 18 -3.126 -9.363 8.443 1.00 0.00 C ATOM 276 O LEU A 18 -4.230 -9.773 8.148 1.00 0.00 O ATOM 277 CB LEU A 18 -2.606 -8.509 10.825 1.00 0.00 C ATOM 278 CG LEU A 18 -3.011 -7.182 10.156 1.00 0.00 C ATOM 279 CD1 LEU A 18 -4.501 -7.229 9.730 1.00 0.00 C ATOM 280 CD2 LEU A 18 -2.777 -6.040 11.154 1.00 0.00 C ATOM 0 H LEU A 18 -0.407 -9.208 9.724 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.041 -10.528 10.221 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.340 -8.765 11.589 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.650 -8.379 11.332 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.409 -7.019 9.262 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.775 -6.285 9.259 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.652 -8.045 9.023 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.126 -7.390 10.609 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.059 -5.092 10.695 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.382 -6.206 12.045 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.723 -6.009 11.431 1.00 0.00 H new ATOM 292 N ILE A 19 -2.430 -8.648 7.612 1.00 0.00 N ATOM 293 CA ILE A 19 -2.958 -8.299 6.266 1.00 0.00 C ATOM 294 C ILE A 19 -2.990 -9.578 5.415 1.00 0.00 C ATOM 295 O ILE A 19 -3.583 -9.616 4.355 1.00 0.00 O ATOM 296 CB ILE A 19 -1.985 -7.254 5.665 1.00 0.00 C ATOM 297 CG1 ILE A 19 -2.525 -5.829 5.843 1.00 0.00 C ATOM 298 CG2 ILE A 19 -1.709 -7.499 4.178 1.00 0.00 C ATOM 299 CD1 ILE A 19 -1.413 -4.807 5.543 1.00 0.00 C ATOM 0 H ILE A 19 -1.499 -8.283 7.811 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.967 -7.888 6.305 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.048 -7.364 6.211 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.371 -5.665 5.176 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.891 -5.694 6.861 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.022 -6.739 3.806 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.264 -8.486 4.048 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.644 -7.446 3.621 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.803 -3.797 5.671 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.580 -4.964 6.228 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.068 -4.935 4.517 1.00 0.00 H new ATOM 311 N ASP A 20 -2.326 -10.607 5.870 1.00 0.00 N ATOM 312 CA ASP A 20 -2.266 -11.885 5.101 1.00 0.00 C ATOM 313 C ASP A 20 -3.622 -12.193 4.451 1.00 0.00 C ATOM 314 O ASP A 20 -3.690 -12.599 3.308 1.00 0.00 O ATOM 315 CB ASP A 20 -1.886 -13.028 6.046 1.00 0.00 C ATOM 316 CG ASP A 20 -1.657 -14.305 5.237 1.00 0.00 C ATOM 317 OD1 ASP A 20 -1.659 -14.220 4.020 1.00 0.00 O ATOM 318 OD2 ASP A 20 -1.485 -15.347 5.848 1.00 0.00 O ATOM 0 H ASP A 20 -1.816 -10.617 6.753 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.517 -11.784 4.315 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.984 -12.770 6.601 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.677 -13.186 6.779 1.00 0.00 H new ATOM 323 N ASN A 21 -4.705 -12.002 5.164 1.00 0.00 N ATOM 324 CA ASN A 21 -6.044 -12.287 4.565 1.00 0.00 C ATOM 325 C ASN A 21 -7.130 -11.502 5.292 1.00 0.00 C ATOM 326 O ASN A 21 -8.302 -11.804 5.192 1.00 0.00 O ATOM 327 CB ASN A 21 -6.351 -13.780 4.662 1.00 0.00 C ATOM 328 CG ASN A 21 -5.358 -14.564 3.802 1.00 0.00 C ATOM 329 OD1 ASN A 21 -4.190 -14.875 4.294 1.00 0.00 O flip ATOM 330 ND2 ASN A 21 -5.648 -14.898 2.671 1.00 0.00 N flip ATOM 0 H ASN A 21 -4.720 -11.664 6.126 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.025 -11.985 3.518 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.288 -14.108 5.699 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.370 -13.975 4.328 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -6.561 -14.655 2.286 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.979 -15.421 2.106 1.00 0.00 H new ATOM 337 N ASN A 22 -6.753 -10.488 6.010 1.00 0.00 N ATOM 338 CA ASN A 22 -7.757 -9.662 6.734 1.00 0.00 C ATOM 339 C ASN A 22 -8.082 -8.463 5.852 1.00 0.00 C ATOM 340 O ASN A 22 -9.223 -8.080 5.685 1.00 0.00 O ATOM 341 CB ASN A 22 -7.156 -9.206 8.061 1.00 0.00 C ATOM 342 CG ASN A 22 -6.661 -10.431 8.838 1.00 0.00 C ATOM 343 OD1 ASN A 22 -6.030 -11.391 8.207 1.00 0.00 O flip ATOM 344 ND2 ASN A 22 -6.852 -10.520 10.035 1.00 0.00 N flip ATOM 0 H ASN A 22 -5.784 -10.191 6.129 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.666 -10.226 6.942 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.331 -8.516 7.882 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.902 -8.667 8.645 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.343 -9.775 10.530 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.522 -11.339 10.545 1.00 0.00 H new ATOM 351 N LYS A 23 -7.072 -7.890 5.267 1.00 0.00 N ATOM 352 CA LYS A 23 -7.261 -6.744 4.368 1.00 0.00 C ATOM 353 C LYS A 23 -7.607 -7.276 2.975 1.00 0.00 C ATOM 354 O LYS A 23 -6.760 -7.787 2.270 1.00 0.00 O ATOM 355 CB LYS A 23 -5.938 -5.979 4.333 1.00 0.00 C ATOM 356 CG LYS A 23 -6.064 -4.714 3.467 1.00 0.00 C ATOM 357 CD LYS A 23 -5.558 -4.976 2.035 1.00 0.00 C ATOM 358 CE LYS A 23 -5.480 -3.662 1.252 1.00 0.00 C ATOM 359 NZ LYS A 23 -4.517 -3.816 0.128 1.00 0.00 N ATOM 0 H LYS A 23 -6.102 -8.183 5.383 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.064 -6.088 4.703 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.644 -5.704 5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.152 -6.621 3.936 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.105 -4.392 3.436 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.492 -3.902 3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.575 -5.446 2.069 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.226 -5.671 1.527 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.465 -3.395 0.868 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.163 -2.852 1.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.499 -2.942 -0.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.567 -4.002 0.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.811 -4.611 -0.474 1.00 0.00 H new ATOM 373 N THR A 24 -8.851 -7.182 2.582 1.00 0.00 N ATOM 374 CA THR A 24 -9.269 -7.697 1.239 1.00 0.00 C ATOM 375 C THR A 24 -9.449 -6.540 0.258 1.00 0.00 C ATOM 376 O THR A 24 -9.111 -5.409 0.543 1.00 0.00 O ATOM 377 CB THR A 24 -10.593 -8.442 1.380 1.00 0.00 C ATOM 378 OG1 THR A 24 -11.600 -7.542 1.822 1.00 0.00 O ATOM 379 CG2 THR A 24 -10.424 -9.565 2.398 1.00 0.00 C ATOM 0 H THR A 24 -9.601 -6.768 3.136 1.00 0.00 H new ATOM 0 HA THR A 24 -8.497 -8.367 0.860 1.00 0.00 H new ATOM 0 HB THR A 24 -10.886 -8.861 0.417 1.00 0.00 H new ATOM 0 HG1 THR A 24 -12.451 -8.021 1.911 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.366 -10.103 2.506 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.650 -10.252 2.056 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.135 -9.143 3.361 1.00 0.00 H new ATOM 387 N GLU A 25 -9.977 -6.829 -0.904 1.00 0.00 N ATOM 388 CA GLU A 25 -10.186 -5.764 -1.938 1.00 0.00 C ATOM 389 C GLU A 25 -11.662 -5.366 -1.995 1.00 0.00 C ATOM 390 O GLU A 25 -12.036 -4.445 -2.692 1.00 0.00 O ATOM 391 CB GLU A 25 -9.765 -6.302 -3.308 1.00 0.00 C ATOM 392 CG GLU A 25 -8.437 -7.049 -3.179 1.00 0.00 C ATOM 393 CD GLU A 25 -7.845 -7.284 -4.570 1.00 0.00 C ATOM 394 OE1 GLU A 25 -8.596 -7.227 -5.529 1.00 0.00 O ATOM 395 OE2 GLU A 25 -6.650 -7.516 -4.651 1.00 0.00 O ATOM 0 H GLU A 25 -10.275 -7.763 -1.185 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.587 -4.892 -1.674 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.533 -6.969 -3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.665 -5.481 -4.017 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.741 -6.473 -2.569 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.591 -8.002 -2.672 1.00 0.00 H new ATOM 402 N LYS A 26 -12.505 -6.048 -1.273 1.00 0.00 N ATOM 403 CA LYS A 26 -13.950 -5.697 -1.297 1.00 0.00 C ATOM 404 C LYS A 26 -14.168 -4.539 -0.337 1.00 0.00 C ATOM 405 O LYS A 26 -14.931 -3.629 -0.595 1.00 0.00 O ATOM 406 CB LYS A 26 -14.776 -6.907 -0.849 1.00 0.00 C ATOM 407 CG LYS A 26 -14.745 -7.995 -1.940 1.00 0.00 C ATOM 408 CD LYS A 26 -14.991 -9.383 -1.318 1.00 0.00 C ATOM 409 CE LYS A 26 -13.669 -9.972 -0.802 1.00 0.00 C ATOM 410 NZ LYS A 26 -12.917 -10.571 -1.940 1.00 0.00 N ATOM 0 H LYS A 26 -12.256 -6.831 -0.669 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.259 -5.415 -2.303 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.378 -7.304 0.085 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.805 -6.604 -0.654 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -15.505 -7.786 -2.693 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.781 -7.982 -2.448 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -15.706 -9.302 -0.499 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -15.430 -10.050 -2.060 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.072 -9.194 -0.327 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.867 -10.729 -0.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.910 -10.645 -1.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.294 -11.519 -2.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -13.021 -9.968 -2.781 1.00 0.00 H new ATOM 424 N GLU A 27 -13.484 -4.567 0.768 1.00 0.00 N ATOM 425 CA GLU A 27 -13.623 -3.476 1.757 1.00 0.00 C ATOM 426 C GLU A 27 -12.938 -2.218 1.208 1.00 0.00 C ATOM 427 O GLU A 27 -13.195 -1.116 1.651 1.00 0.00 O ATOM 428 CB GLU A 27 -12.966 -3.920 3.076 1.00 0.00 C ATOM 429 CG GLU A 27 -12.690 -2.708 3.976 1.00 0.00 C ATOM 430 CD GLU A 27 -12.495 -3.171 5.423 1.00 0.00 C ATOM 431 OE1 GLU A 27 -11.815 -4.166 5.618 1.00 0.00 O ATOM 432 OE2 GLU A 27 -13.026 -2.522 6.308 1.00 0.00 O ATOM 0 H GLU A 27 -12.830 -5.306 1.028 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.674 -3.252 1.941 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.617 -4.624 3.594 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.033 -4.444 2.866 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.801 -2.181 3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -13.520 -2.004 3.918 1.00 0.00 H new ATOM 439 N ILE A 28 -12.054 -2.380 0.261 1.00 0.00 N ATOM 440 CA ILE A 28 -11.331 -1.216 -0.305 1.00 0.00 C ATOM 441 C ILE A 28 -12.123 -0.584 -1.443 1.00 0.00 C ATOM 442 O ILE A 28 -12.675 0.489 -1.305 1.00 0.00 O ATOM 443 CB ILE A 28 -9.990 -1.699 -0.864 1.00 0.00 C ATOM 444 CG1 ILE A 28 -9.209 -2.483 0.210 1.00 0.00 C ATOM 445 CG2 ILE A 28 -9.174 -0.498 -1.361 1.00 0.00 C ATOM 446 CD1 ILE A 28 -8.540 -1.526 1.197 1.00 0.00 C ATOM 0 H ILE A 28 -11.802 -3.281 -0.146 1.00 0.00 H new ATOM 0 HA ILE A 28 -11.189 -0.476 0.483 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.175 -2.370 -1.703 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.885 -3.150 0.744 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.454 -3.109 -0.266 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.220 -0.845 -1.758 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.727 0.018 -2.145 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.994 0.187 -0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.994 -2.099 1.946 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.847 -0.877 0.662 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.301 -0.919 1.688 1.00 0.00 H new ATOM 458 N LEU A 29 -12.161 -1.229 -2.578 1.00 0.00 N ATOM 459 CA LEU A 29 -12.895 -0.652 -3.738 1.00 0.00 C ATOM 460 C LEU A 29 -14.258 -0.140 -3.272 1.00 0.00 C ATOM 461 O LEU A 29 -14.798 0.816 -3.802 1.00 0.00 O ATOM 462 CB LEU A 29 -13.080 -1.724 -4.816 1.00 0.00 C ATOM 463 CG LEU A 29 -11.712 -2.279 -5.237 1.00 0.00 C ATOM 464 CD1 LEU A 29 -11.912 -3.587 -6.004 1.00 0.00 C ATOM 465 CD2 LEU A 29 -10.975 -1.269 -6.132 1.00 0.00 C ATOM 0 H LEU A 29 -11.715 -2.130 -2.751 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.323 0.176 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -13.709 -2.530 -4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -13.592 -1.300 -5.680 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.113 -2.459 -4.344 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -10.943 -3.984 -6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -12.418 -4.310 -5.364 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -12.518 -3.400 -6.890 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.007 -1.678 -6.422 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.568 -1.074 -7.025 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.826 -0.338 -5.584 1.00 0.00 H new ATOM 477 N ASP A 30 -14.799 -0.748 -2.255 1.00 0.00 N ATOM 478 CA ASP A 30 -16.106 -0.280 -1.726 1.00 0.00 C ATOM 479 C ASP A 30 -15.862 1.040 -1.023 1.00 0.00 C ATOM 480 O ASP A 30 -16.584 2.005 -1.187 1.00 0.00 O ATOM 481 CB ASP A 30 -16.655 -1.284 -0.711 1.00 0.00 C ATOM 482 CG ASP A 30 -17.155 -2.533 -1.441 1.00 0.00 C ATOM 483 OD1 ASP A 30 -16.607 -2.843 -2.486 1.00 0.00 O ATOM 484 OD2 ASP A 30 -18.076 -3.157 -0.942 1.00 0.00 O ATOM 0 H ASP A 30 -14.393 -1.547 -1.769 1.00 0.00 H new ATOM 0 HA ASP A 30 -16.824 -0.174 -2.539 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.878 -1.555 0.004 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -17.468 -0.833 -0.142 1.00 0.00 H new ATOM 489 N ALA A 31 -14.829 1.081 -0.237 1.00 0.00 N ATOM 490 CA ALA A 31 -14.512 2.323 0.484 1.00 0.00 C ATOM 491 C ALA A 31 -14.149 3.412 -0.515 1.00 0.00 C ATOM 492 O ALA A 31 -14.470 4.547 -0.319 1.00 0.00 O ATOM 493 CB ALA A 31 -13.349 2.088 1.432 1.00 0.00 C ATOM 0 H ALA A 31 -14.193 0.302 -0.067 1.00 0.00 H new ATOM 0 HA ALA A 31 -15.382 2.636 1.061 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -13.120 3.012 1.963 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.616 1.314 2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.475 1.769 0.864 1.00 0.00 H new ATOM 499 N PHE A 32 -13.486 3.087 -1.589 1.00 0.00 N ATOM 500 CA PHE A 32 -13.133 4.157 -2.569 1.00 0.00 C ATOM 501 C PHE A 32 -14.419 4.869 -3.010 1.00 0.00 C ATOM 502 O PHE A 32 -14.442 6.071 -3.177 1.00 0.00 O ATOM 503 CB PHE A 32 -12.409 3.543 -3.787 1.00 0.00 C ATOM 504 CG PHE A 32 -10.908 3.608 -3.586 1.00 0.00 C ATOM 505 CD1 PHE A 32 -10.200 4.752 -3.975 1.00 0.00 C ATOM 506 CD2 PHE A 32 -10.228 2.528 -3.012 1.00 0.00 C ATOM 507 CE1 PHE A 32 -8.814 4.817 -3.789 1.00 0.00 C ATOM 508 CE2 PHE A 32 -8.841 2.593 -2.826 1.00 0.00 C ATOM 509 CZ PHE A 32 -8.135 3.736 -3.216 1.00 0.00 C ATOM 0 H PHE A 32 -13.177 2.145 -1.830 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.461 4.878 -2.103 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -12.721 2.507 -3.922 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.686 4.080 -4.694 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -10.724 5.585 -4.419 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -10.772 1.645 -2.712 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.269 5.701 -4.087 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.316 1.760 -2.381 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.065 3.784 -3.075 1.00 0.00 H new ATOM 519 N ASP A 33 -15.489 4.144 -3.190 1.00 0.00 N ATOM 520 CA ASP A 33 -16.763 4.802 -3.607 1.00 0.00 C ATOM 521 C ASP A 33 -17.412 5.459 -2.384 1.00 0.00 C ATOM 522 O ASP A 33 -18.368 6.200 -2.494 1.00 0.00 O ATOM 523 CB ASP A 33 -17.714 3.754 -4.188 1.00 0.00 C ATOM 524 CG ASP A 33 -18.973 4.445 -4.716 1.00 0.00 C ATOM 525 OD1 ASP A 33 -18.911 4.997 -5.803 1.00 0.00 O ATOM 526 OD2 ASP A 33 -19.977 4.412 -4.025 1.00 0.00 O ATOM 0 H ASP A 33 -15.538 3.133 -3.068 1.00 0.00 H new ATOM 0 HA ASP A 33 -16.555 5.558 -4.364 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -17.222 3.207 -4.992 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -17.980 3.025 -3.423 1.00 0.00 H new ATOM 531 N LYS A 34 -16.905 5.162 -1.218 1.00 0.00 N ATOM 532 CA LYS A 34 -17.470 5.723 0.051 1.00 0.00 C ATOM 533 C LYS A 34 -16.491 6.763 0.621 1.00 0.00 C ATOM 534 O LYS A 34 -16.817 7.549 1.489 1.00 0.00 O ATOM 535 CB LYS A 34 -17.673 4.513 0.998 1.00 0.00 C ATOM 536 CG LYS A 34 -16.886 4.645 2.307 1.00 0.00 C ATOM 537 CD LYS A 34 -17.082 3.354 3.161 1.00 0.00 C ATOM 538 CE LYS A 34 -15.756 2.860 3.792 1.00 0.00 C ATOM 539 NZ LYS A 34 -15.671 3.346 5.199 1.00 0.00 N ATOM 0 H LYS A 34 -16.106 4.542 -1.086 1.00 0.00 H new ATOM 0 HA LYS A 34 -18.420 6.238 -0.094 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -18.734 4.410 1.226 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -17.367 3.601 0.486 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -15.828 4.797 2.094 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -17.228 5.518 2.863 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -17.807 3.550 3.951 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -17.499 2.566 2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -15.711 1.771 3.768 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.906 3.227 3.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.782 3.017 5.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.696 4.386 5.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -16.476 2.975 5.744 1.00 0.00 H new ATOM 553 N MET A 35 -15.294 6.734 0.134 1.00 0.00 N ATOM 554 CA MET A 35 -14.223 7.659 0.597 1.00 0.00 C ATOM 555 C MET A 35 -14.080 8.788 -0.419 1.00 0.00 C ATOM 556 O MET A 35 -14.285 9.945 -0.115 1.00 0.00 O ATOM 557 CB MET A 35 -12.931 6.846 0.668 1.00 0.00 C ATOM 558 CG MET A 35 -11.696 7.751 0.750 1.00 0.00 C ATOM 559 SD MET A 35 -10.235 6.731 1.083 1.00 0.00 S ATOM 560 CE MET A 35 -10.387 5.623 -0.344 1.00 0.00 C ATOM 0 H MET A 35 -14.997 6.084 -0.594 1.00 0.00 H new ATOM 0 HA MET A 35 -14.453 8.091 1.571 1.00 0.00 H new ATOM 0 HB2 MET A 35 -12.961 6.191 1.539 1.00 0.00 H new ATOM 0 HB3 MET A 35 -12.855 6.205 -0.211 1.00 0.00 H new ATOM 0 HG2 MET A 35 -11.568 8.298 -0.184 1.00 0.00 H new ATOM 0 HG3 MET A 35 -11.825 8.492 1.539 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.407 5.219 -0.597 1.00 0.00 H new ATOM 0 HE2 MET A 35 -11.065 4.805 -0.099 1.00 0.00 H new ATOM 0 HE3 MET A 35 -10.781 6.178 -1.195 1.00 0.00 H new ATOM 570 N CYS A 36 -13.744 8.452 -1.632 1.00 0.00 N ATOM 571 CA CYS A 36 -13.605 9.495 -2.679 1.00 0.00 C ATOM 572 C CYS A 36 -14.992 10.077 -2.961 1.00 0.00 C ATOM 573 O CYS A 36 -15.168 10.922 -3.815 1.00 0.00 O ATOM 574 CB CYS A 36 -13.014 8.863 -3.946 1.00 0.00 C ATOM 575 SG CYS A 36 -12.197 10.150 -4.919 1.00 0.00 S ATOM 0 H CYS A 36 -13.560 7.498 -1.942 1.00 0.00 H new ATOM 0 HA CYS A 36 -12.938 10.291 -2.348 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -12.301 8.082 -3.680 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -13.801 8.390 -4.533 1.00 0.00 H new ATOM 580 N SER A 37 -15.980 9.625 -2.229 1.00 0.00 N ATOM 581 CA SER A 37 -17.362 10.142 -2.424 1.00 0.00 C ATOM 582 C SER A 37 -17.393 11.631 -2.078 1.00 0.00 C ATOM 583 O SER A 37 -18.064 12.418 -2.717 1.00 0.00 O ATOM 584 CB SER A 37 -18.319 9.391 -1.496 1.00 0.00 C ATOM 585 OG SER A 37 -19.658 9.651 -1.894 1.00 0.00 O ATOM 0 H SER A 37 -15.884 8.916 -1.502 1.00 0.00 H new ATOM 0 HA SER A 37 -17.666 9.996 -3.461 1.00 0.00 H new ATOM 0 HB2 SER A 37 -18.117 8.321 -1.535 1.00 0.00 H new ATOM 0 HB3 SER A 37 -18.166 9.707 -0.464 1.00 0.00 H new ATOM 0 HG SER A 37 -20.274 9.170 -1.303 1.00 0.00 H new ATOM 591 N LYS A 38 -16.671 12.016 -1.062 1.00 0.00 N ATOM 592 CA LYS A 38 -16.650 13.447 -0.652 1.00 0.00 C ATOM 593 C LYS A 38 -15.707 14.231 -1.566 1.00 0.00 C ATOM 594 O LYS A 38 -15.786 15.440 -1.662 1.00 0.00 O ATOM 595 CB LYS A 38 -16.159 13.542 0.798 1.00 0.00 C ATOM 596 CG LYS A 38 -14.704 13.039 0.894 1.00 0.00 C ATOM 597 CD LYS A 38 -14.428 12.493 2.301 1.00 0.00 C ATOM 598 CE LYS A 38 -12.918 12.365 2.516 1.00 0.00 C ATOM 599 NZ LYS A 38 -12.658 11.659 3.802 1.00 0.00 N ATOM 0 H LYS A 38 -16.092 11.397 -0.495 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.653 13.867 -0.731 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.220 14.574 1.145 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.802 12.949 1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.531 12.259 0.152 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -14.014 13.852 0.669 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -14.857 13.158 3.051 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -14.907 11.522 2.425 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.467 11.816 1.689 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.457 13.353 2.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.632 11.572 3.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.075 12.201 4.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.085 10.711 3.770 1.00 0.00 H new ATOM 613 N LEU A 39 -14.812 13.558 -2.236 1.00 0.00 N ATOM 614 CA LEU A 39 -13.867 14.281 -3.139 1.00 0.00 C ATOM 615 C LEU A 39 -14.702 15.079 -4.168 1.00 0.00 C ATOM 616 O LEU A 39 -15.737 14.599 -4.590 1.00 0.00 O ATOM 617 CB LEU A 39 -12.967 13.245 -3.893 1.00 0.00 C ATOM 618 CG LEU A 39 -11.445 13.479 -3.634 1.00 0.00 C ATOM 619 CD1 LEU A 39 -10.900 12.430 -2.654 1.00 0.00 C ATOM 620 CD2 LEU A 39 -10.675 13.383 -4.965 1.00 0.00 C ATOM 0 H LEU A 39 -14.693 12.546 -2.199 1.00 0.00 H new ATOM 0 HA LEU A 39 -13.231 14.952 -2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.236 12.237 -3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -13.164 13.307 -4.963 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.312 14.470 -3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.838 12.608 -2.484 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.436 12.503 -1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.039 11.434 -3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.613 13.546 -4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.821 12.394 -5.399 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.046 14.141 -5.655 1.00 0.00 H new ATOM 632 N PRO A 40 -14.240 16.245 -4.589 1.00 0.00 N ATOM 633 CA PRO A 40 -14.975 17.015 -5.602 1.00 0.00 C ATOM 634 C PRO A 40 -15.279 16.091 -6.789 1.00 0.00 C ATOM 635 O PRO A 40 -14.703 15.030 -6.916 1.00 0.00 O ATOM 636 CB PRO A 40 -14.024 18.168 -5.993 1.00 0.00 C ATOM 637 CG PRO A 40 -12.840 18.152 -4.987 1.00 0.00 C ATOM 638 CD PRO A 40 -12.991 16.885 -4.116 1.00 0.00 C ATOM 0 HA PRO A 40 -15.929 17.410 -5.252 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -13.663 18.039 -7.013 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -14.545 19.125 -5.958 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -11.887 18.143 -5.516 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -12.851 19.048 -4.366 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -12.136 16.219 -4.235 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -13.053 17.138 -3.058 1.00 0.00 H new ATOM 646 N LYS A 41 -16.182 16.467 -7.646 1.00 0.00 N ATOM 647 CA LYS A 41 -16.517 15.588 -8.796 1.00 0.00 C ATOM 648 C LYS A 41 -15.300 15.390 -9.699 1.00 0.00 C ATOM 649 O LYS A 41 -14.961 14.286 -10.079 1.00 0.00 O ATOM 650 CB LYS A 41 -17.630 16.229 -9.608 1.00 0.00 C ATOM 651 CG LYS A 41 -18.065 15.263 -10.703 1.00 0.00 C ATOM 652 CD LYS A 41 -19.346 15.791 -11.378 1.00 0.00 C ATOM 653 CE LYS A 41 -19.372 15.363 -12.845 1.00 0.00 C ATOM 654 NZ LYS A 41 -20.693 15.709 -13.444 1.00 0.00 N ATOM 0 H LYS A 41 -16.702 17.343 -7.600 1.00 0.00 H new ATOM 0 HA LYS A 41 -16.834 14.619 -8.411 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -18.474 16.472 -8.963 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -17.285 17.165 -10.047 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -17.271 15.153 -11.442 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -18.245 14.275 -10.280 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -20.225 15.406 -10.862 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -19.385 16.878 -11.306 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -18.572 15.860 -13.393 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -19.195 14.290 -12.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -20.709 15.417 -14.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -21.449 15.216 -12.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -20.844 16.736 -13.381 1.00 0.00 H new ATOM 668 N SER A 42 -14.666 16.459 -10.066 1.00 0.00 N ATOM 669 CA SER A 42 -13.485 16.372 -10.976 1.00 0.00 C ATOM 670 C SER A 42 -12.436 15.404 -10.435 1.00 0.00 C ATOM 671 O SER A 42 -12.108 14.409 -11.052 1.00 0.00 O ATOM 672 CB SER A 42 -12.841 17.751 -11.070 1.00 0.00 C ATOM 673 OG SER A 42 -13.824 18.708 -11.443 1.00 0.00 O ATOM 0 H SER A 42 -14.913 17.405 -9.774 1.00 0.00 H new ATOM 0 HA SER A 42 -13.828 16.018 -11.948 1.00 0.00 H new ATOM 0 HB2 SER A 42 -12.398 18.023 -10.112 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.034 17.738 -11.803 1.00 0.00 H new ATOM 0 HG SER A 42 -13.411 19.595 -11.502 1.00 0.00 H new ATOM 679 N LEU A 43 -11.886 15.710 -9.299 1.00 0.00 N ATOM 680 CA LEU A 43 -10.828 14.842 -8.722 1.00 0.00 C ATOM 681 C LEU A 43 -11.437 13.541 -8.188 1.00 0.00 C ATOM 682 O LEU A 43 -10.734 12.686 -7.688 1.00 0.00 O ATOM 683 CB LEU A 43 -10.120 15.602 -7.596 1.00 0.00 C ATOM 684 CG LEU A 43 -9.287 16.761 -8.181 1.00 0.00 C ATOM 685 CD1 LEU A 43 -9.072 17.834 -7.109 1.00 0.00 C ATOM 686 CD2 LEU A 43 -7.917 16.252 -8.654 1.00 0.00 C ATOM 0 H LEU A 43 -12.125 16.530 -8.741 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.106 14.584 -9.497 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.855 15.991 -6.891 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.473 14.924 -7.040 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.828 17.181 -9.029 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.483 18.651 -7.525 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.038 18.215 -6.777 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.542 17.400 -6.261 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -7.342 17.082 -9.064 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -7.379 15.819 -7.811 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.057 15.493 -9.423 1.00 0.00 H new ATOM 698 N SER A 44 -12.729 13.362 -8.308 1.00 0.00 N ATOM 699 CA SER A 44 -13.345 12.097 -7.826 1.00 0.00 C ATOM 700 C SER A 44 -13.291 11.114 -8.976 1.00 0.00 C ATOM 701 O SER A 44 -13.230 9.914 -8.797 1.00 0.00 O ATOM 702 CB SER A 44 -14.799 12.328 -7.426 1.00 0.00 C ATOM 703 OG SER A 44 -15.513 11.103 -7.529 1.00 0.00 O ATOM 0 H SER A 44 -13.377 14.035 -8.717 1.00 0.00 H new ATOM 0 HA SER A 44 -12.810 11.722 -6.953 1.00 0.00 H new ATOM 0 HB2 SER A 44 -14.852 12.709 -6.406 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.251 13.081 -8.071 1.00 0.00 H new ATOM 0 HG SER A 44 -16.448 11.246 -7.271 1.00 0.00 H new ATOM 709 N GLU A 45 -13.294 11.634 -10.172 1.00 0.00 N ATOM 710 CA GLU A 45 -13.226 10.760 -11.360 1.00 0.00 C ATOM 711 C GLU A 45 -11.768 10.374 -11.586 1.00 0.00 C ATOM 712 O GLU A 45 -11.461 9.307 -12.080 1.00 0.00 O ATOM 713 CB GLU A 45 -13.757 11.511 -12.583 1.00 0.00 C ATOM 714 CG GLU A 45 -15.257 11.766 -12.414 1.00 0.00 C ATOM 715 CD GLU A 45 -15.781 12.551 -13.618 1.00 0.00 C ATOM 716 OE1 GLU A 45 -15.354 13.680 -13.796 1.00 0.00 O ATOM 717 OE2 GLU A 45 -16.601 12.009 -14.341 1.00 0.00 O ATOM 0 H GLU A 45 -13.341 12.633 -10.371 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.832 9.867 -11.206 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.228 12.457 -12.701 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.576 10.930 -13.487 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.790 10.819 -12.324 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.441 12.323 -11.495 1.00 0.00 H new ATOM 724 N GLU A 46 -10.865 11.243 -11.219 1.00 0.00 N ATOM 725 CA GLU A 46 -9.419 10.944 -11.401 1.00 0.00 C ATOM 726 C GLU A 46 -8.925 10.057 -10.255 1.00 0.00 C ATOM 727 O GLU A 46 -7.930 9.372 -10.377 1.00 0.00 O ATOM 728 CB GLU A 46 -8.628 12.253 -11.409 1.00 0.00 C ATOM 729 CG GLU A 46 -9.160 13.165 -12.516 1.00 0.00 C ATOM 730 CD GLU A 46 -8.845 12.548 -13.881 1.00 0.00 C ATOM 731 OE1 GLU A 46 -7.684 12.274 -14.131 1.00 0.00 O ATOM 732 OE2 GLU A 46 -9.772 12.362 -14.652 1.00 0.00 O ATOM 0 H GLU A 46 -11.069 12.150 -10.800 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.275 10.422 -12.347 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.715 12.749 -10.442 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.569 12.049 -11.569 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.236 13.299 -12.405 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.706 14.153 -12.438 1.00 0.00 H new ATOM 739 N CYS A 47 -9.610 10.060 -9.141 1.00 0.00 N ATOM 740 CA CYS A 47 -9.165 9.211 -7.996 1.00 0.00 C ATOM 741 C CYS A 47 -9.599 7.765 -8.238 1.00 0.00 C ATOM 742 O CYS A 47 -8.895 6.828 -7.915 1.00 0.00 O ATOM 743 CB CYS A 47 -9.787 9.728 -6.695 1.00 0.00 C ATOM 744 SG CYS A 47 -11.519 9.204 -6.569 1.00 0.00 S ATOM 0 H CYS A 47 -10.453 10.610 -8.975 1.00 0.00 H new ATOM 0 HA CYS A 47 -8.079 9.255 -7.913 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.224 9.352 -5.841 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.726 10.816 -6.663 1.00 0.00 H new ATOM 749 N GLN A 48 -10.748 7.580 -8.828 1.00 0.00 N ATOM 750 CA GLN A 48 -11.226 6.209 -9.111 1.00 0.00 C ATOM 751 C GLN A 48 -10.563 5.766 -10.401 1.00 0.00 C ATOM 752 O GLN A 48 -10.532 4.598 -10.738 1.00 0.00 O ATOM 753 CB GLN A 48 -12.750 6.226 -9.279 1.00 0.00 C ATOM 754 CG GLN A 48 -13.426 6.223 -7.900 1.00 0.00 C ATOM 755 CD GLN A 48 -13.413 4.805 -7.323 1.00 0.00 C ATOM 756 OE1 GLN A 48 -12.602 3.987 -7.706 1.00 0.00 O ATOM 757 NE2 GLN A 48 -14.288 4.477 -6.412 1.00 0.00 N ATOM 0 H GLN A 48 -11.375 8.327 -9.125 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.979 5.526 -8.298 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -13.053 7.110 -9.841 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -13.071 5.357 -9.853 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -12.905 6.905 -7.227 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -14.452 6.582 -7.986 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -14.970 5.163 -6.089 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -14.290 3.534 -6.023 1.00 0.00 H new ATOM 766 N GLU A 49 -10.016 6.705 -11.121 1.00 0.00 N ATOM 767 CA GLU A 49 -9.338 6.363 -12.383 1.00 0.00 C ATOM 768 C GLU A 49 -8.055 5.601 -12.057 1.00 0.00 C ATOM 769 O GLU A 49 -7.787 4.544 -12.596 1.00 0.00 O ATOM 770 CB GLU A 49 -8.997 7.641 -13.148 1.00 0.00 C ATOM 771 CG GLU A 49 -8.217 7.283 -14.414 1.00 0.00 C ATOM 772 CD GLU A 49 -8.113 8.515 -15.316 1.00 0.00 C ATOM 773 OE1 GLU A 49 -7.165 9.265 -15.154 1.00 0.00 O ATOM 774 OE2 GLU A 49 -8.983 8.685 -16.154 1.00 0.00 O ATOM 0 H GLU A 49 -10.014 7.696 -10.881 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.991 5.746 -13.000 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.910 8.176 -13.409 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.406 8.307 -12.520 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.221 6.926 -14.151 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.716 6.472 -14.944 1.00 0.00 H new ATOM 781 N VAL A 50 -7.257 6.130 -11.166 1.00 0.00 N ATOM 782 CA VAL A 50 -5.997 5.430 -10.804 1.00 0.00 C ATOM 783 C VAL A 50 -6.331 4.096 -10.144 1.00 0.00 C ATOM 784 O VAL A 50 -5.705 3.104 -10.422 1.00 0.00 O ATOM 785 CB VAL A 50 -5.174 6.275 -9.838 1.00 0.00 C ATOM 786 CG1 VAL A 50 -3.821 5.592 -9.629 1.00 0.00 C ATOM 787 CG2 VAL A 50 -4.961 7.670 -10.429 1.00 0.00 C ATOM 0 H VAL A 50 -7.425 7.010 -10.679 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.416 5.264 -11.711 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.696 6.371 -8.886 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.218 6.183 -8.940 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.976 4.596 -9.213 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.304 5.509 -10.585 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.373 8.272 -9.737 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.431 7.586 -11.378 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.927 8.147 -10.594 1.00 0.00 H new ATOM 797 N VAL A 51 -7.322 4.057 -9.283 1.00 0.00 N ATOM 798 CA VAL A 51 -7.698 2.761 -8.626 1.00 0.00 C ATOM 799 C VAL A 51 -7.742 1.671 -9.693 1.00 0.00 C ATOM 800 O VAL A 51 -7.101 0.646 -9.572 1.00 0.00 O ATOM 801 CB VAL A 51 -9.080 2.921 -7.976 1.00 0.00 C ATOM 802 CG1 VAL A 51 -9.599 1.567 -7.488 1.00 0.00 C ATOM 803 CG2 VAL A 51 -8.976 3.881 -6.787 1.00 0.00 C ATOM 0 H VAL A 51 -7.885 4.862 -9.007 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.971 2.489 -7.861 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.773 3.320 -8.717 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.579 1.697 -7.030 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.681 0.883 -8.333 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.907 1.155 -6.754 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.957 3.995 -6.325 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.275 3.480 -6.056 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.623 4.852 -7.133 1.00 0.00 H new ATOM 813 N ASP A 52 -8.461 1.896 -10.759 1.00 0.00 N ATOM 814 CA ASP A 52 -8.494 0.880 -11.844 1.00 0.00 C ATOM 815 C ASP A 52 -7.047 0.567 -12.227 1.00 0.00 C ATOM 816 O ASP A 52 -6.699 -0.555 -12.538 1.00 0.00 O ATOM 817 CB ASP A 52 -9.242 1.442 -13.055 1.00 0.00 C ATOM 818 CG ASP A 52 -10.697 1.720 -12.671 1.00 0.00 C ATOM 819 OD1 ASP A 52 -10.917 2.212 -11.576 1.00 0.00 O ATOM 820 OD2 ASP A 52 -11.567 1.436 -13.479 1.00 0.00 O ATOM 0 H ASP A 52 -9.022 2.732 -10.923 1.00 0.00 H new ATOM 0 HA ASP A 52 -9.006 -0.023 -11.511 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.763 2.359 -13.398 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.202 0.733 -13.882 1.00 0.00 H new ATOM 825 N THR A 53 -6.194 1.562 -12.176 1.00 0.00 N ATOM 826 CA THR A 53 -4.756 1.341 -12.504 1.00 0.00 C ATOM 827 C THR A 53 -4.028 0.819 -11.259 1.00 0.00 C ATOM 828 O THR A 53 -3.015 0.156 -11.352 1.00 0.00 O ATOM 829 CB THR A 53 -4.134 2.640 -13.029 1.00 0.00 C ATOM 830 OG1 THR A 53 -4.822 3.036 -14.206 1.00 0.00 O ATOM 831 CG2 THR A 53 -2.656 2.415 -13.363 1.00 0.00 C ATOM 0 H THR A 53 -6.436 2.519 -11.920 1.00 0.00 H new ATOM 0 HA THR A 53 -4.660 0.593 -13.291 1.00 0.00 H new ATOM 0 HB THR A 53 -4.215 3.414 -12.266 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.432 3.867 -14.549 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.222 3.343 -13.735 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.124 2.100 -12.465 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.569 1.642 -14.126 1.00 0.00 H new ATOM 839 N TYR A 54 -4.557 1.099 -10.094 1.00 0.00 N ATOM 840 CA TYR A 54 -3.934 0.619 -8.822 1.00 0.00 C ATOM 841 C TYR A 54 -5.020 -0.024 -7.972 1.00 0.00 C ATOM 842 O TYR A 54 -5.585 0.598 -7.094 1.00 0.00 O ATOM 843 CB TYR A 54 -3.339 1.784 -8.043 1.00 0.00 C ATOM 844 CG TYR A 54 -2.115 2.290 -8.754 1.00 0.00 C ATOM 845 CD1 TYR A 54 -2.267 2.954 -9.961 1.00 0.00 C ATOM 846 CD2 TYR A 54 -0.846 2.128 -8.196 1.00 0.00 C ATOM 847 CE1 TYR A 54 -1.160 3.469 -10.630 1.00 0.00 C ATOM 848 CE2 TYR A 54 0.278 2.634 -8.864 1.00 0.00 C ATOM 849 CZ TYR A 54 0.121 3.310 -10.084 1.00 0.00 C ATOM 850 OH TYR A 54 1.222 3.819 -10.742 1.00 0.00 O ATOM 0 H TYR A 54 -5.407 1.648 -9.969 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.142 -0.092 -9.057 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.073 2.584 -7.947 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.080 1.466 -7.033 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -3.253 3.073 -10.386 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.730 1.615 -7.253 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.288 3.990 -11.567 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.263 2.504 -8.441 1.00 0.00 H new ATOM 0 HH TYR A 54 2.031 3.622 -10.226 1.00 0.00 H new ATOM 860 N GLY A 55 -5.321 -1.260 -8.224 1.00 0.00 N ATOM 861 CA GLY A 55 -6.369 -1.955 -7.429 1.00 0.00 C ATOM 862 C GLY A 55 -6.042 -3.446 -7.335 1.00 0.00 C ATOM 863 O GLY A 55 -5.301 -3.878 -6.485 1.00 0.00 O ATOM 0 H GLY A 55 -4.885 -1.826 -8.952 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.428 -1.522 -6.430 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.345 -1.816 -7.895 1.00 0.00 H new ATOM 867 N SER A 56 -6.592 -4.248 -8.189 1.00 0.00 N ATOM 868 CA SER A 56 -6.303 -5.705 -8.100 1.00 0.00 C ATOM 869 C SER A 56 -4.798 -5.943 -7.896 1.00 0.00 C ATOM 870 O SER A 56 -4.393 -6.974 -7.393 1.00 0.00 O ATOM 871 CB SER A 56 -6.771 -6.405 -9.375 1.00 0.00 C ATOM 872 OG SER A 56 -6.489 -7.795 -9.277 1.00 0.00 O ATOM 0 H SER A 56 -7.223 -3.968 -8.939 1.00 0.00 H new ATOM 0 HA SER A 56 -6.840 -6.116 -7.245 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.840 -6.248 -9.519 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.267 -5.980 -10.243 1.00 0.00 H new ATOM 0 HG SER A 56 -6.789 -8.248 -10.093 1.00 0.00 H new ATOM 878 N SER A 57 -3.959 -4.991 -8.243 1.00 0.00 N ATOM 879 CA SER A 57 -2.492 -5.189 -8.024 1.00 0.00 C ATOM 880 C SER A 57 -2.131 -4.632 -6.657 1.00 0.00 C ATOM 881 O SER A 57 -2.043 -5.366 -5.702 1.00 0.00 O ATOM 882 CB SER A 57 -1.671 -4.461 -9.094 1.00 0.00 C ATOM 883 OG SER A 57 -1.824 -5.129 -10.338 1.00 0.00 O ATOM 0 H SER A 57 -4.224 -4.100 -8.662 1.00 0.00 H new ATOM 0 HA SER A 57 -2.266 -6.254 -8.084 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.002 -3.426 -9.181 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.619 -4.437 -8.808 1.00 0.00 H new ATOM 0 HG SER A 57 -1.301 -4.665 -11.025 1.00 0.00 H new ATOM 889 N ILE A 58 -1.940 -3.334 -6.558 1.00 0.00 N ATOM 890 CA ILE A 58 -1.589 -2.684 -5.250 1.00 0.00 C ATOM 891 C ILE A 58 -2.188 -3.469 -4.086 1.00 0.00 C ATOM 892 O ILE A 58 -1.528 -3.751 -3.106 1.00 0.00 O ATOM 893 CB ILE A 58 -2.160 -1.263 -5.253 1.00 0.00 C ATOM 894 CG1 ILE A 58 -1.729 -0.506 -3.984 1.00 0.00 C ATOM 895 CG2 ILE A 58 -3.682 -1.319 -5.311 1.00 0.00 C ATOM 896 CD1 ILE A 58 -2.615 0.734 -3.790 1.00 0.00 C ATOM 0 H ILE A 58 -2.014 -2.687 -7.343 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.506 -2.663 -5.131 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.776 -0.738 -6.128 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.808 -1.160 -3.115 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.684 -0.208 -4.065 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.084 -0.306 -5.313 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.993 -1.834 -6.220 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.060 -1.857 -4.442 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.305 1.265 -2.890 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.514 1.392 -4.653 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.656 0.425 -3.689 1.00 0.00 H new ATOM 908 N LEU A 59 -3.434 -3.812 -4.185 1.00 0.00 N ATOM 909 CA LEU A 59 -4.068 -4.571 -3.072 1.00 0.00 C ATOM 910 C LEU A 59 -3.517 -6.005 -3.028 1.00 0.00 C ATOM 911 O LEU A 59 -3.229 -6.528 -1.972 1.00 0.00 O ATOM 912 CB LEU A 59 -5.599 -4.646 -3.230 1.00 0.00 C ATOM 913 CG LEU A 59 -6.177 -3.310 -3.698 1.00 0.00 C ATOM 914 CD1 LEU A 59 -7.634 -3.510 -4.111 1.00 0.00 C ATOM 915 CD2 LEU A 59 -6.097 -2.272 -2.572 1.00 0.00 C ATOM 0 H LEU A 59 -4.040 -3.604 -4.979 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.833 -4.041 -2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.855 -5.426 -3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.051 -4.927 -2.279 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.599 -2.948 -4.548 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.051 -2.560 -4.446 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.686 -4.235 -4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.206 -3.878 -3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.512 -1.326 -2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.666 -2.624 -1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.056 -2.128 -2.284 1.00 0.00 H new ATOM 927 N SER A 60 -3.402 -6.661 -4.161 1.00 0.00 N ATOM 928 CA SER A 60 -2.905 -8.076 -4.167 1.00 0.00 C ATOM 929 C SER A 60 -1.381 -8.124 -4.350 1.00 0.00 C ATOM 930 O SER A 60 -0.792 -9.186 -4.406 1.00 0.00 O ATOM 931 CB SER A 60 -3.571 -8.835 -5.317 1.00 0.00 C ATOM 932 OG SER A 60 -3.442 -10.232 -5.091 1.00 0.00 O ATOM 0 H SER A 60 -3.630 -6.279 -5.079 1.00 0.00 H new ATOM 0 HA SER A 60 -3.154 -8.535 -3.211 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.624 -8.562 -5.388 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.107 -8.563 -6.265 1.00 0.00 H new ATOM 0 HG SER A 60 -2.533 -10.431 -4.783 1.00 0.00 H new ATOM 938 N ILE A 61 -0.739 -6.995 -4.467 1.00 0.00 N ATOM 939 CA ILE A 61 0.740 -6.989 -4.672 1.00 0.00 C ATOM 940 C ILE A 61 1.451 -7.126 -3.318 1.00 0.00 C ATOM 941 O ILE A 61 2.112 -8.111 -3.073 1.00 0.00 O ATOM 942 CB ILE A 61 1.120 -5.692 -5.454 1.00 0.00 C ATOM 943 CG1 ILE A 61 2.256 -5.956 -6.443 1.00 0.00 C ATOM 944 CG2 ILE A 61 1.513 -4.532 -4.541 1.00 0.00 C ATOM 945 CD1 ILE A 61 3.558 -6.228 -5.701 1.00 0.00 C ATOM 0 H ILE A 61 -1.174 -6.073 -4.430 1.00 0.00 H new ATOM 0 HA ILE A 61 1.068 -7.840 -5.270 1.00 0.00 H new ATOM 0 HB ILE A 61 0.218 -5.401 -5.992 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.006 -6.809 -7.074 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.379 -5.097 -7.102 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.765 -3.662 -5.147 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.678 -4.287 -3.884 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.376 -4.818 -3.940 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.355 -6.414 -6.421 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.816 -5.363 -5.089 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.436 -7.102 -5.061 1.00 0.00 H new ATOM 957 N LEU A 62 1.320 -6.174 -2.438 1.00 0.00 N ATOM 958 CA LEU A 62 2.004 -6.277 -1.110 1.00 0.00 C ATOM 959 C LEU A 62 1.687 -7.615 -0.448 1.00 0.00 C ATOM 960 O LEU A 62 2.201 -7.935 0.606 1.00 0.00 O ATOM 961 CB LEU A 62 1.557 -5.124 -0.213 1.00 0.00 C ATOM 962 CG LEU A 62 1.870 -3.797 -0.915 1.00 0.00 C ATOM 963 CD1 LEU A 62 1.358 -2.634 -0.061 1.00 0.00 C ATOM 964 CD2 LEU A 62 3.383 -3.652 -1.151 1.00 0.00 C ATOM 0 H LEU A 62 0.769 -5.327 -2.577 1.00 0.00 H new ATOM 0 HA LEU A 62 3.082 -6.217 -1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.489 -5.199 -0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.071 -5.173 0.747 1.00 0.00 H new ATOM 0 HG LEU A 62 1.370 -3.784 -1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.580 -1.691 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.280 -2.728 0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.848 -2.654 0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.584 -2.704 -1.650 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.904 -3.676 -0.194 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.734 -4.473 -1.776 1.00 0.00 H new ATOM 976 N LEU A 63 0.825 -8.388 -1.039 1.00 0.00 N ATOM 977 CA LEU A 63 0.445 -9.686 -0.445 1.00 0.00 C ATOM 978 C LEU A 63 1.415 -10.797 -0.865 1.00 0.00 C ATOM 979 O LEU A 63 1.960 -11.493 -0.032 1.00 0.00 O ATOM 980 CB LEU A 63 -0.943 -10.033 -0.965 1.00 0.00 C ATOM 981 CG LEU A 63 -2.031 -9.121 -0.350 1.00 0.00 C ATOM 982 CD1 LEU A 63 -2.470 -9.668 1.012 1.00 0.00 C ATOM 983 CD2 LEU A 63 -1.554 -7.668 -0.172 1.00 0.00 C ATOM 0 H LEU A 63 0.363 -8.168 -1.922 1.00 0.00 H new ATOM 0 HA LEU A 63 0.468 -9.607 0.642 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.959 -9.937 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.168 -11.074 -0.734 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.867 -9.118 -1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.236 -9.018 1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.875 -10.672 0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.612 -9.703 1.684 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.357 -7.072 0.263 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.688 -7.648 0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.280 -7.254 -1.142 1.00 0.00 H new ATOM 995 N GLU A 64 1.592 -11.010 -2.153 1.00 0.00 N ATOM 996 CA GLU A 64 2.482 -12.129 -2.621 1.00 0.00 C ATOM 997 C GLU A 64 3.468 -11.673 -3.699 1.00 0.00 C ATOM 998 O GLU A 64 4.660 -11.876 -3.579 1.00 0.00 O ATOM 999 CB GLU A 64 1.600 -13.214 -3.228 1.00 0.00 C ATOM 1000 CG GLU A 64 0.677 -13.790 -2.153 1.00 0.00 C ATOM 1001 CD GLU A 64 -0.260 -14.824 -2.783 1.00 0.00 C ATOM 1002 OE1 GLU A 64 -0.637 -14.634 -3.926 1.00 0.00 O ATOM 1003 OE2 GLU A 64 -0.583 -15.788 -2.109 1.00 0.00 O ATOM 0 H GLU A 64 1.161 -10.461 -2.897 1.00 0.00 H new ATOM 0 HA GLU A 64 3.052 -12.487 -1.763 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.009 -12.801 -4.045 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.219 -14.005 -3.651 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.267 -14.253 -1.362 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.096 -12.991 -1.691 1.00 0.00 H new ATOM 1010 N GLU A 65 2.976 -11.113 -4.773 1.00 0.00 N ATOM 1011 CA GLU A 65 3.879 -10.696 -5.888 1.00 0.00 C ATOM 1012 C GLU A 65 5.126 -10.006 -5.350 1.00 0.00 C ATOM 1013 O GLU A 65 6.109 -9.842 -6.044 1.00 0.00 O ATOM 1014 CB GLU A 65 3.129 -9.756 -6.831 1.00 0.00 C ATOM 1015 CG GLU A 65 1.741 -10.327 -7.121 1.00 0.00 C ATOM 1016 CD GLU A 65 1.106 -9.564 -8.286 1.00 0.00 C ATOM 1017 OE1 GLU A 65 1.749 -9.456 -9.317 1.00 0.00 O ATOM 1018 OE2 GLU A 65 -0.012 -9.102 -8.127 1.00 0.00 O ATOM 0 H GLU A 65 1.985 -10.926 -4.927 1.00 0.00 H new ATOM 0 HA GLU A 65 4.191 -11.587 -6.433 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.041 -8.767 -6.381 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.686 -9.635 -7.760 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.816 -11.387 -7.365 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.111 -10.248 -6.235 1.00 0.00 H new ATOM 1025 N VAL A 66 5.092 -9.605 -4.121 1.00 0.00 N ATOM 1026 CA VAL A 66 6.273 -8.922 -3.515 1.00 0.00 C ATOM 1027 C VAL A 66 6.399 -9.312 -2.035 1.00 0.00 C ATOM 1028 O VAL A 66 5.448 -9.248 -1.283 1.00 0.00 O ATOM 1029 CB VAL A 66 6.061 -7.411 -3.657 1.00 0.00 C ATOM 1030 CG1 VAL A 66 4.989 -6.930 -2.670 1.00 0.00 C ATOM 1031 CG2 VAL A 66 7.380 -6.665 -3.407 1.00 0.00 C ATOM 0 H VAL A 66 4.293 -9.718 -3.497 1.00 0.00 H new ATOM 0 HA VAL A 66 7.192 -9.220 -4.020 1.00 0.00 H new ATOM 0 HB VAL A 66 5.724 -7.200 -4.672 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.848 -5.855 -2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.049 -7.442 -2.875 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.307 -7.151 -1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.217 -5.592 -3.511 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.736 -6.882 -2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.125 -6.990 -4.133 1.00 0.00 H new ATOM 1041 N SER A 67 7.568 -9.715 -1.607 1.00 0.00 N ATOM 1042 CA SER A 67 7.734 -10.098 -0.175 1.00 0.00 C ATOM 1043 C SER A 67 7.763 -8.807 0.669 1.00 0.00 C ATOM 1044 O SER A 67 8.146 -7.776 0.161 1.00 0.00 O ATOM 1045 CB SER A 67 9.046 -10.878 -0.005 1.00 0.00 C ATOM 1046 OG SER A 67 8.798 -12.260 -0.226 1.00 0.00 O ATOM 0 H SER A 67 8.407 -9.795 -2.182 1.00 0.00 H new ATOM 0 HA SER A 67 6.910 -10.732 0.152 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.794 -10.513 -0.709 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.448 -10.724 0.996 1.00 0.00 H new ATOM 0 HG SER A 67 9.632 -12.763 -0.121 1.00 0.00 H new ATOM 1052 N PRO A 68 7.352 -8.882 1.925 1.00 0.00 N ATOM 1053 CA PRO A 68 7.328 -7.693 2.809 1.00 0.00 C ATOM 1054 C PRO A 68 8.707 -7.004 2.879 1.00 0.00 C ATOM 1055 O PRO A 68 8.810 -5.796 2.764 1.00 0.00 O ATOM 1056 CB PRO A 68 6.890 -8.241 4.188 1.00 0.00 C ATOM 1057 CG PRO A 68 6.737 -9.782 4.060 1.00 0.00 C ATOM 1058 CD PRO A 68 6.890 -10.134 2.569 1.00 0.00 C ATOM 0 HA PRO A 68 6.649 -6.924 2.441 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.629 -7.992 4.950 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.948 -7.788 4.497 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.493 -10.294 4.655 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.765 -10.104 4.433 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.609 -10.940 2.426 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.945 -10.471 2.144 1.00 0.00 H new ATOM 1066 N GLU A 69 9.759 -7.747 3.093 1.00 0.00 N ATOM 1067 CA GLU A 69 11.108 -7.109 3.202 1.00 0.00 C ATOM 1068 C GLU A 69 11.482 -6.379 1.902 1.00 0.00 C ATOM 1069 O GLU A 69 12.149 -5.361 1.927 1.00 0.00 O ATOM 1070 CB GLU A 69 12.163 -8.177 3.524 1.00 0.00 C ATOM 1071 CG GLU A 69 12.255 -9.195 2.383 1.00 0.00 C ATOM 1072 CD GLU A 69 13.164 -10.350 2.807 1.00 0.00 C ATOM 1073 OE1 GLU A 69 12.681 -11.237 3.491 1.00 0.00 O ATOM 1074 OE2 GLU A 69 14.327 -10.327 2.441 1.00 0.00 O ATOM 0 H GLU A 69 9.746 -8.762 3.197 1.00 0.00 H new ATOM 0 HA GLU A 69 11.075 -6.374 4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 69 13.133 -7.705 3.678 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.905 -8.685 4.453 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.262 -9.571 2.135 1.00 0.00 H new ATOM 0 HG3 GLU A 69 12.649 -8.718 1.486 1.00 0.00 H new ATOM 1081 N LEU A 70 11.064 -6.872 0.771 1.00 0.00 N ATOM 1082 CA LEU A 70 11.412 -6.180 -0.501 1.00 0.00 C ATOM 1083 C LEU A 70 10.742 -4.802 -0.511 1.00 0.00 C ATOM 1084 O LEU A 70 11.368 -3.800 -0.793 1.00 0.00 O ATOM 1085 CB LEU A 70 10.925 -7.036 -1.681 1.00 0.00 C ATOM 1086 CG LEU A 70 10.929 -6.227 -2.988 1.00 0.00 C ATOM 1087 CD1 LEU A 70 12.318 -5.619 -3.218 1.00 0.00 C ATOM 1088 CD2 LEU A 70 10.579 -7.153 -4.166 1.00 0.00 C ATOM 0 H LEU A 70 10.501 -7.717 0.671 1.00 0.00 H new ATOM 0 HA LEU A 70 12.490 -6.047 -0.588 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.566 -7.911 -1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.918 -7.401 -1.479 1.00 0.00 H new ATOM 0 HG LEU A 70 10.191 -5.428 -2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.316 -5.047 -4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.569 -4.961 -2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.058 -6.417 -3.286 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.582 -6.579 -5.093 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.317 -7.953 -4.232 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.590 -7.584 -4.009 1.00 0.00 H new ATOM 1100 N VAL A 71 9.476 -4.743 -0.199 1.00 0.00 N ATOM 1101 CA VAL A 71 8.763 -3.428 -0.183 1.00 0.00 C ATOM 1102 C VAL A 71 9.640 -2.384 0.505 1.00 0.00 C ATOM 1103 O VAL A 71 9.965 -1.365 -0.064 1.00 0.00 O ATOM 1104 CB VAL A 71 7.437 -3.569 0.574 1.00 0.00 C ATOM 1105 CG1 VAL A 71 6.455 -2.487 0.120 1.00 0.00 C ATOM 1106 CG2 VAL A 71 6.851 -4.944 0.281 1.00 0.00 C ATOM 0 H VAL A 71 8.901 -5.549 0.046 1.00 0.00 H new ATOM 0 HA VAL A 71 8.559 -3.113 -1.206 1.00 0.00 H new ATOM 0 HB VAL A 71 7.613 -3.456 1.644 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.517 -2.596 0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.879 -1.503 0.322 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.269 -2.590 -0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.907 -5.058 0.814 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.678 -5.045 -0.790 1.00 0.00 H new ATOM 0 HG23 VAL A 71 7.548 -5.714 0.610 1.00 0.00 H new ATOM 1116 N CYS A 72 10.043 -2.639 1.720 1.00 0.00 N ATOM 1117 CA CYS A 72 10.921 -1.649 2.420 1.00 0.00 C ATOM 1118 C CYS A 72 12.066 -1.270 1.480 1.00 0.00 C ATOM 1119 O CYS A 72 12.535 -0.150 1.474 1.00 0.00 O ATOM 1120 CB CYS A 72 11.489 -2.238 3.715 1.00 0.00 C ATOM 1121 SG CYS A 72 12.454 -0.964 4.567 1.00 0.00 S ATOM 0 H CYS A 72 9.809 -3.476 2.254 1.00 0.00 H new ATOM 0 HA CYS A 72 10.333 -0.769 2.681 1.00 0.00 H new ATOM 0 HB2 CYS A 72 10.680 -2.589 4.356 1.00 0.00 H new ATOM 0 HB3 CYS A 72 12.117 -3.101 3.493 1.00 0.00 H new ATOM 1126 N SER A 73 12.501 -2.195 0.665 1.00 0.00 N ATOM 1127 CA SER A 73 13.593 -1.880 -0.294 1.00 0.00 C ATOM 1128 C SER A 73 13.014 -1.007 -1.422 1.00 0.00 C ATOM 1129 O SER A 73 13.486 0.083 -1.674 1.00 0.00 O ATOM 1130 CB SER A 73 14.184 -3.189 -0.853 1.00 0.00 C ATOM 1131 OG SER A 73 15.559 -3.262 -0.503 1.00 0.00 O ATOM 0 H SER A 73 12.147 -3.151 0.624 1.00 0.00 H new ATOM 0 HA SER A 73 14.395 -1.335 0.203 1.00 0.00 H new ATOM 0 HB2 SER A 73 13.647 -4.047 -0.449 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.069 -3.222 -1.936 1.00 0.00 H new ATOM 0 HG SER A 73 15.942 -4.093 -0.854 1.00 0.00 H new ATOM 1137 N MET A 74 11.987 -1.472 -2.093 1.00 0.00 N ATOM 1138 CA MET A 74 11.386 -0.646 -3.185 1.00 0.00 C ATOM 1139 C MET A 74 11.073 0.744 -2.634 1.00 0.00 C ATOM 1140 O MET A 74 11.364 1.750 -3.249 1.00 0.00 O ATOM 1141 CB MET A 74 10.080 -1.288 -3.679 1.00 0.00 C ATOM 1142 CG MET A 74 10.371 -2.510 -4.559 1.00 0.00 C ATOM 1143 SD MET A 74 8.927 -2.857 -5.599 1.00 0.00 S ATOM 1144 CE MET A 74 7.764 -3.254 -4.269 1.00 0.00 C ATOM 0 H MET A 74 11.544 -2.377 -1.934 1.00 0.00 H new ATOM 0 HA MET A 74 12.090 -0.581 -4.015 1.00 0.00 H new ATOM 0 HB2 MET A 74 9.471 -1.586 -2.826 1.00 0.00 H new ATOM 0 HB3 MET A 74 9.502 -0.557 -4.244 1.00 0.00 H new ATOM 0 HG2 MET A 74 11.246 -2.324 -5.182 1.00 0.00 H new ATOM 0 HG3 MET A 74 10.601 -3.374 -3.936 1.00 0.00 H new ATOM 0 HE1 MET A 74 6.923 -3.815 -4.677 1.00 0.00 H new ATOM 0 HE2 MET A 74 8.268 -3.855 -3.512 1.00 0.00 H new ATOM 0 HE3 MET A 74 7.400 -2.332 -3.817 1.00 0.00 H new ATOM 1154 N LEU A 75 10.476 0.805 -1.475 1.00 0.00 N ATOM 1155 CA LEU A 75 10.140 2.128 -0.881 1.00 0.00 C ATOM 1156 C LEU A 75 11.433 2.919 -0.676 1.00 0.00 C ATOM 1157 O LEU A 75 11.440 4.134 -0.700 1.00 0.00 O ATOM 1158 CB LEU A 75 9.438 1.922 0.468 1.00 0.00 C ATOM 1159 CG LEU A 75 8.137 1.124 0.274 1.00 0.00 C ATOM 1160 CD1 LEU A 75 7.639 0.615 1.634 1.00 0.00 C ATOM 1161 CD2 LEU A 75 7.059 2.008 -0.375 1.00 0.00 C ATOM 0 H LEU A 75 10.207 -0.004 -0.915 1.00 0.00 H new ATOM 0 HA LEU A 75 9.474 2.677 -1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.100 1.392 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 75 9.216 2.888 0.922 1.00 0.00 H new ATOM 0 HG LEU A 75 8.337 0.277 -0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.717 0.050 1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 75 8.396 -0.029 2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.449 1.463 2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.144 1.430 -0.506 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.857 2.866 0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.410 2.356 -1.346 1.00 0.00 H new ATOM 1173 N HIS A 76 12.533 2.234 -0.501 1.00 0.00 N ATOM 1174 CA HIS A 76 13.840 2.929 -0.320 1.00 0.00 C ATOM 1175 C HIS A 76 13.685 4.124 0.626 1.00 0.00 C ATOM 1176 O HIS A 76 14.246 5.179 0.402 1.00 0.00 O ATOM 1177 CB HIS A 76 14.330 3.417 -1.688 1.00 0.00 C ATOM 1178 CG HIS A 76 14.870 2.254 -2.478 1.00 0.00 C ATOM 1179 ND1 HIS A 76 14.429 1.641 -3.625 1.00 0.00 N flip ATOM 1180 CD2 HIS A 76 16.019 1.575 -2.103 1.00 0.00 C flip ATOM 1181 CE1 HIS A 76 15.288 0.599 -3.959 1.00 0.00 C flip ATOM 1182 NE2 HIS A 76 16.228 0.603 -3.011 1.00 0.00 N flip ATOM 0 H HIS A 76 12.581 1.215 -0.476 1.00 0.00 H new ATOM 0 HA HIS A 76 14.561 2.236 0.114 1.00 0.00 H new ATOM 0 HB2 HIS A 76 13.511 3.889 -2.231 1.00 0.00 H new ATOM 0 HB3 HIS A 76 15.105 4.173 -1.559 1.00 0.00 H new ATOM 0 HD2 HIS A 76 16.634 1.787 -1.241 1.00 0.00 H new ATOM 0 HE1 HIS A 76 15.211 -0.070 -4.804 1.00 0.00 H new ATOM 0 HE2 HIS A 76 17.010 -0.051 -2.978 1.00 0.00 H new ATOM 1190 N LEU A 77 12.937 3.973 1.688 1.00 0.00 N ATOM 1191 CA LEU A 77 12.768 5.110 2.637 1.00 0.00 C ATOM 1192 C LEU A 77 14.031 5.248 3.492 1.00 0.00 C ATOM 1193 O LEU A 77 14.245 6.250 4.144 1.00 0.00 O ATOM 1194 CB LEU A 77 11.530 4.882 3.526 1.00 0.00 C ATOM 1195 CG LEU A 77 11.794 3.819 4.608 1.00 0.00 C ATOM 1196 CD1 LEU A 77 10.522 3.625 5.437 1.00 0.00 C ATOM 1197 CD2 LEU A 77 12.174 2.488 3.953 1.00 0.00 C ATOM 0 H LEU A 77 12.440 3.118 1.937 1.00 0.00 H new ATOM 0 HA LEU A 77 12.616 6.033 2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 77 11.245 5.821 4.000 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.689 4.570 2.906 1.00 0.00 H new ATOM 0 HG LEU A 77 12.612 4.150 5.247 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.700 2.873 6.206 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.247 4.569 5.908 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.711 3.295 4.788 1.00 0.00 H new ATOM 0 HD21 LEU A 77 12.359 1.742 4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.359 2.152 3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.075 2.621 3.354 1.00 0.00 H new ATOM 1209 N CYS A 78 14.870 4.247 3.493 1.00 0.00 N ATOM 1210 CA CYS A 78 16.120 4.320 4.304 1.00 0.00 C ATOM 1211 C CYS A 78 17.002 5.456 3.779 1.00 0.00 C ATOM 1212 O CYS A 78 17.366 6.359 4.504 1.00 0.00 O ATOM 1213 CB CYS A 78 16.891 3.001 4.194 1.00 0.00 C ATOM 1214 SG CYS A 78 15.930 1.669 4.954 1.00 0.00 S ATOM 0 H CYS A 78 14.744 3.382 2.967 1.00 0.00 H new ATOM 0 HA CYS A 78 15.857 4.503 5.346 1.00 0.00 H new ATOM 0 HB2 CYS A 78 17.087 2.769 3.147 1.00 0.00 H new ATOM 0 HB3 CYS A 78 17.859 3.092 4.687 1.00 0.00 H new ATOM 1219 N SER A 79 17.353 5.409 2.523 1.00 0.00 N ATOM 1220 CA SER A 79 18.217 6.477 1.948 1.00 0.00 C ATOM 1221 C SER A 79 17.546 7.841 2.125 1.00 0.00 C ATOM 1222 O SER A 79 16.820 8.302 1.267 1.00 0.00 O ATOM 1223 CB SER A 79 18.437 6.208 0.459 1.00 0.00 C ATOM 1224 OG SER A 79 19.036 4.929 0.298 1.00 0.00 O ATOM 0 H SER A 79 17.078 4.676 1.870 1.00 0.00 H new ATOM 0 HA SER A 79 19.176 6.479 2.466 1.00 0.00 H new ATOM 0 HB2 SER A 79 17.487 6.247 -0.074 1.00 0.00 H new ATOM 0 HB3 SER A 79 19.076 6.979 0.029 1.00 0.00 H new ATOM 0 HG SER A 79 19.177 4.752 -0.655 1.00 0.00 H new ATOM 1230 N GLY A 80 17.793 8.494 3.227 1.00 0.00 N ATOM 1231 CA GLY A 80 17.180 9.834 3.454 1.00 0.00 C ATOM 1232 C GLY A 80 18.000 10.883 2.710 1.00 0.00 C ATOM 1233 O GLY A 80 17.484 11.879 2.242 1.00 0.00 O ATOM 0 H GLY A 80 18.393 8.158 3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 80 16.149 9.842 3.101 1.00 0.00 H new ATOM 0 HA3 GLY A 80 17.154 10.061 4.520 1.00 0.00 H new ATOM 1237 N LEU A 81 19.279 10.650 2.591 1.00 0.00 N ATOM 1238 CA LEU A 81 20.177 11.593 1.875 1.00 0.00 C ATOM 1239 C LEU A 81 20.659 10.914 0.610 1.00 0.00 C ATOM 1240 O LEU A 81 20.238 9.823 0.283 1.00 0.00 O ATOM 1241 CB LEU A 81 21.384 11.917 2.769 1.00 0.00 C ATOM 1242 CG LEU A 81 21.803 10.676 3.569 1.00 0.00 C ATOM 1243 CD1 LEU A 81 22.079 9.487 2.631 1.00 0.00 C ATOM 1244 CD2 LEU A 81 23.072 11.001 4.362 1.00 0.00 C ATOM 0 H LEU A 81 19.747 9.826 2.970 1.00 0.00 H new ATOM 0 HA LEU A 81 19.649 12.515 1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 81 22.217 12.261 2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 81 21.133 12.730 3.451 1.00 0.00 H new ATOM 0 HG LEU A 81 20.993 10.402 4.245 1.00 0.00 H new ATOM 0 HD11 LEU A 81 22.374 8.619 3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 81 21.177 9.252 2.066 1.00 0.00 H new ATOM 0 HD13 LEU A 81 22.882 9.747 1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 81 23.378 10.125 4.934 1.00 0.00 H new ATOM 0 HD22 LEU A 81 23.869 11.281 3.674 1.00 0.00 H new ATOM 0 HD23 LEU A 81 22.873 11.828 5.043 1.00 0.00 H new ATOM 1256 N VAL A 82 21.571 11.515 -0.087 1.00 0.00 N ATOM 1257 CA VAL A 82 22.098 10.842 -1.299 1.00 0.00 C ATOM 1258 C VAL A 82 23.151 9.820 -0.830 1.00 0.00 C ATOM 1259 O VAL A 82 24.010 10.171 -0.045 1.00 0.00 O ATOM 1260 CB VAL A 82 22.746 11.858 -2.246 1.00 0.00 C ATOM 1261 CG1 VAL A 82 21.667 12.531 -3.096 1.00 0.00 C ATOM 1262 CG2 VAL A 82 23.492 12.916 -1.430 1.00 0.00 C ATOM 0 H VAL A 82 21.971 12.429 0.123 1.00 0.00 H new ATOM 0 HA VAL A 82 21.289 10.354 -1.842 1.00 0.00 H new ATOM 0 HB VAL A 82 23.450 11.343 -2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 82 22.131 13.253 -3.768 1.00 0.00 H new ATOM 0 HG12 VAL A 82 21.141 11.776 -3.681 1.00 0.00 H new ATOM 0 HG13 VAL A 82 20.959 13.044 -2.445 1.00 0.00 H new ATOM 0 HG21 VAL A 82 23.952 13.638 -2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 82 22.791 13.430 -0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 82 24.265 12.435 -0.831 1.00 0.00 H new ATOM 1272 N PRO A 83 23.073 8.585 -1.284 1.00 0.00 N ATOM 1273 CA PRO A 83 24.029 7.559 -0.845 1.00 0.00 C ATOM 1274 C PRO A 83 25.460 8.112 -0.850 1.00 0.00 C ATOM 1275 O PRO A 83 26.020 8.402 -1.889 1.00 0.00 O ATOM 1276 CB PRO A 83 23.853 6.408 -1.847 1.00 0.00 C ATOM 1277 CG PRO A 83 22.500 6.650 -2.560 1.00 0.00 C ATOM 1278 CD PRO A 83 22.079 8.104 -2.264 1.00 0.00 C ATOM 0 HA PRO A 83 23.849 7.227 0.178 1.00 0.00 H new ATOM 0 HB2 PRO A 83 24.673 6.390 -2.565 1.00 0.00 H new ATOM 0 HB3 PRO A 83 23.856 5.445 -1.336 1.00 0.00 H new ATOM 0 HG2 PRO A 83 22.597 6.489 -3.634 1.00 0.00 H new ATOM 0 HG3 PRO A 83 21.745 5.951 -2.200 1.00 0.00 H new ATOM 0 HD2 PRO A 83 22.088 8.712 -3.169 1.00 0.00 H new ATOM 0 HD3 PRO A 83 21.068 8.150 -1.859 1.00 0.00 H new ATOM 1286 N ARG A 84 26.051 8.264 0.302 1.00 0.00 N ATOM 1287 CA ARG A 84 27.440 8.801 0.361 1.00 0.00 C ATOM 1288 C ARG A 84 28.431 7.691 0.005 1.00 0.00 C ATOM 1289 O ARG A 84 28.037 6.538 0.044 1.00 0.00 O ATOM 1290 CB ARG A 84 27.728 9.311 1.780 1.00 0.00 C ATOM 1291 CG ARG A 84 26.779 10.476 2.130 1.00 0.00 C ATOM 1292 CD ARG A 84 27.387 11.828 1.693 1.00 0.00 C ATOM 1293 NE ARG A 84 28.361 11.626 0.583 1.00 0.00 N ATOM 1294 CZ ARG A 84 28.730 12.639 -0.153 1.00 0.00 C ATOM 1295 NH1 ARG A 84 28.243 13.827 0.083 1.00 0.00 N ATOM 1296 NH2 ARG A 84 29.585 12.464 -1.122 1.00 0.00 N ATOM 1297 OXT ARG A 84 29.567 8.015 -0.301 1.00 0.00 O ATOM 0 H ARG A 84 25.633 8.040 1.205 1.00 0.00 H new ATOM 0 HA ARG A 84 27.545 9.621 -0.349 1.00 0.00 H new ATOM 0 HB2 ARG A 84 27.601 8.501 2.498 1.00 0.00 H new ATOM 0 HB3 ARG A 84 28.764 9.642 1.852 1.00 0.00 H new ATOM 0 HG2 ARG A 84 25.818 10.328 1.638 1.00 0.00 H new ATOM 0 HG3 ARG A 84 26.590 10.487 3.203 1.00 0.00 H new ATOM 0 HD2 ARG A 84 26.594 12.503 1.371 1.00 0.00 H new ATOM 0 HD3 ARG A 84 27.884 12.301 2.540 1.00 0.00 H new ATOM 0 HE ARG A 84 28.739 10.697 0.399 1.00 0.00 H new ATOM 0 HH11 ARG A 84 27.575 13.963 0.842 1.00 0.00 H new ATOM 0 HH12 ARG A 84 28.531 14.619 -0.491 1.00 0.00 H new ATOM 0 HH21 ARG A 84 29.965 11.535 -1.305 1.00 0.00 H new ATOM 0 HH22 ARG A 84 29.873 13.256 -1.697 1.00 0.00 H new TER 1311 ARG A 84