USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 607 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 CYS SG : rot 155:sc= 1.06 USER MOD Set 1.2: A 77 CYS SG : rot -40:sc= -3.05! USER MOD Set 1.3: A 90 HIS : no HE2:sc= 0.171 K(o=-2.5,f=-4) USER MOD Set 1.4: A 95 HIS : no HE2:sc= -0.687 X(o=-2.5,f=-2.9) USER MOD Set 2.1: A 51 CYS SG : rot 130:sc= 0.116 USER MOD Set 2.2: A 56 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 34 MET CE :methyl 174:sc= -0.212 (180deg=-0.462) USER MOD Set 3.2: A 50 THR OG1 : rot -150:sc= -0.0664 USER MOD Set 4.1: A 44 CYS SG : rot -127:sc= -0.991 USER MOD Set 4.2: A 47 CYS SG : rot 82:sc= -0.968! USER MOD Set 4.3: A 60 HIS : no HD1:sc= 0.00833 K(o=-2.3,f=-3.1) USER MOD Set 4.4: A 64 HIS :FLIP no HD1:sc= -0.394 F(o=-3.9!,f=-2.3) USER MOD Set 5.1: A 16 CYS SG : rot 171:sc= 0.156 USER MOD Set 5.2: A 19 CYS SG : rot 33:sc= 0.154 USER MOD Set 5.3: A 32 HIS : no HE2:sc= -1.14 K(o=-1.5,f=-2.8!) USER MOD Set 5.4: A 36 HIS : no HD1:sc= -0.694 X(o=-1.5,f=-1.6) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.0127 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -0.818 K(o=-0.82,f=-2.2!) USER MOD Single : A 28 ASN : amide:sc= -1.9 K(o=-1.9,f=-5.2!) USER MOD Single : A 37 THR OG1 : rot 41:sc= 0.438 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.6!) USER MOD Single : A 53 GLN : amide:sc= 0.12 K(o=0.12,f=-3.1!) USER MOD Single : A 54 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0689) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 MET CE :methyl -174:sc= -0.194 (180deg=-0.33) USER MOD Single : A 62 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0797) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 29:sc= 0.196 USER MOD Single : A 75 ASN : amide:sc= -0.26 K(o=-0.26,f=-3.6!) USER MOD Single : A 79 LYS NZ :NH3+ -167:sc= -0.0511 (180deg=-0.267) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -142:sc= -0.521 (180deg=-2.31!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot -93:sc= 0.609 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot -22:sc= 0.0287 USER MOD ----------------------------------------------------------------- ATOM 36 N ARG A 12 14.737 -12.232 15.419 1.00 0.00 N ATOM 37 CA ARG A 12 13.763 -12.119 14.325 1.00 0.00 C ATOM 38 C ARG A 12 13.553 -10.618 14.032 1.00 0.00 C ATOM 39 O ARG A 12 12.425 -10.132 13.919 1.00 0.00 O ATOM 40 CB ARG A 12 12.420 -12.839 14.697 1.00 0.00 C ATOM 41 CG ARG A 12 11.491 -13.103 13.495 1.00 0.00 C ATOM 42 CD ARG A 12 10.135 -13.714 13.883 1.00 0.00 C ATOM 43 NE ARG A 12 9.293 -12.788 14.669 1.00 0.00 N ATOM 44 CZ ARG A 12 8.055 -13.050 15.110 1.00 0.00 C ATOM 45 NH1 ARG A 12 7.474 -14.217 14.868 1.00 0.00 N ATOM 46 NH2 ARG A 12 7.403 -12.129 15.793 1.00 0.00 N ATOM 0 HA ARG A 12 14.136 -12.613 13.428 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.651 -13.789 15.179 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.886 -12.232 15.428 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.319 -12.165 12.968 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.995 -13.773 12.798 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.601 -14.005 12.979 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.303 -14.623 14.460 1.00 0.00 H new ATOM 0 HE ARG A 12 9.687 -11.874 14.894 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.970 -14.934 14.338 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.531 -14.398 15.212 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.842 -11.227 15.981 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.460 -12.318 16.133 1.00 0.00 H new ATOM 60 N ASP A 13 14.670 -9.888 13.906 1.00 0.00 N ATOM 61 CA ASP A 13 14.678 -8.426 13.750 1.00 0.00 C ATOM 62 C ASP A 13 15.503 -8.078 12.518 1.00 0.00 C ATOM 63 O ASP A 13 16.729 -7.925 12.592 1.00 0.00 O ATOM 64 CB ASP A 13 15.271 -7.715 14.993 1.00 0.00 C ATOM 65 CG ASP A 13 14.456 -7.915 16.280 1.00 0.00 C ATOM 66 OD1 ASP A 13 14.561 -8.993 16.899 1.00 0.00 O ATOM 67 OD2 ASP A 13 13.712 -6.994 16.684 1.00 0.00 O ATOM 0 H ASP A 13 15.603 -10.300 13.910 1.00 0.00 H new ATOM 0 HA ASP A 13 13.650 -8.082 13.639 1.00 0.00 H new ATOM 0 HB2 ASP A 13 16.285 -8.080 15.158 1.00 0.00 H new ATOM 0 HB3 ASP A 13 15.346 -6.648 14.786 1.00 0.00 H new ATOM 72 N TYR A 14 14.827 -8.029 11.385 1.00 0.00 N ATOM 73 CA TYR A 14 15.430 -7.689 10.088 1.00 0.00 C ATOM 74 C TYR A 14 15.279 -6.183 9.841 1.00 0.00 C ATOM 75 O TYR A 14 14.161 -5.674 9.722 1.00 0.00 O ATOM 76 CB TYR A 14 14.799 -8.549 8.964 1.00 0.00 C ATOM 77 CG TYR A 14 15.183 -10.036 9.082 1.00 0.00 C ATOM 78 CD1 TYR A 14 14.558 -10.881 10.009 1.00 0.00 C ATOM 79 CD2 TYR A 14 16.190 -10.590 8.286 1.00 0.00 C ATOM 80 CE1 TYR A 14 14.914 -12.213 10.126 1.00 0.00 C ATOM 81 CE2 TYR A 14 16.547 -11.918 8.400 1.00 0.00 C ATOM 82 CZ TYR A 14 15.911 -12.724 9.318 1.00 0.00 C ATOM 83 OH TYR A 14 16.264 -14.047 9.425 1.00 0.00 O ATOM 0 H TYR A 14 13.828 -8.226 11.328 1.00 0.00 H new ATOM 0 HA TYR A 14 16.496 -7.917 10.093 1.00 0.00 H new ATOM 0 HB2 TYR A 14 13.714 -8.452 9.001 1.00 0.00 H new ATOM 0 HB3 TYR A 14 15.120 -8.169 7.994 1.00 0.00 H new ATOM 0 HD1 TYR A 14 13.782 -10.484 10.646 1.00 0.00 H new ATOM 0 HD2 TYR A 14 16.699 -9.966 7.567 1.00 0.00 H new ATOM 0 HE1 TYR A 14 14.416 -12.848 10.844 1.00 0.00 H new ATOM 0 HE2 TYR A 14 17.324 -12.325 7.770 1.00 0.00 H new ATOM 0 HH TYR A 14 16.980 -14.247 8.786 1.00 0.00 H new ATOM 93 N ILE A 15 16.426 -5.482 9.819 1.00 0.00 N ATOM 94 CA ILE A 15 16.506 -4.015 9.793 1.00 0.00 C ATOM 95 C ILE A 15 17.247 -3.587 8.505 1.00 0.00 C ATOM 96 O ILE A 15 17.964 -4.390 7.895 1.00 0.00 O ATOM 97 CB ILE A 15 17.278 -3.457 11.068 1.00 0.00 C ATOM 98 CG1 ILE A 15 16.889 -4.204 12.377 1.00 0.00 C ATOM 99 CG2 ILE A 15 17.068 -1.934 11.243 1.00 0.00 C ATOM 100 CD1 ILE A 15 15.460 -4.030 12.818 1.00 0.00 C ATOM 0 H ILE A 15 17.342 -5.931 9.819 1.00 0.00 H new ATOM 0 HA ILE A 15 15.497 -3.603 9.809 1.00 0.00 H new ATOM 0 HB ILE A 15 18.336 -3.644 10.882 1.00 0.00 H new ATOM 0 HG12 ILE A 15 17.082 -5.268 12.240 1.00 0.00 H new ATOM 0 HG13 ILE A 15 17.543 -3.862 13.179 1.00 0.00 H new ATOM 0 HG21 ILE A 15 17.611 -1.591 12.124 1.00 0.00 H new ATOM 0 HG22 ILE A 15 17.440 -1.412 10.361 1.00 0.00 H new ATOM 0 HG23 ILE A 15 16.005 -1.725 11.367 1.00 0.00 H new ATOM 0 HD11 ILE A 15 15.292 -4.590 13.738 1.00 0.00 H new ATOM 0 HD12 ILE A 15 15.260 -2.973 12.995 1.00 0.00 H new ATOM 0 HD13 ILE A 15 14.792 -4.401 12.041 1.00 0.00 H new ATOM 112 N CYS A 16 17.037 -2.337 8.089 1.00 0.00 N ATOM 113 CA CYS A 16 17.711 -1.734 6.915 1.00 0.00 C ATOM 114 C CYS A 16 18.824 -0.751 7.370 1.00 0.00 C ATOM 115 O CYS A 16 19.581 -0.235 6.546 1.00 0.00 O ATOM 116 CB CYS A 16 16.651 -1.033 6.059 1.00 0.00 C ATOM 117 SG CYS A 16 17.195 -0.354 4.481 1.00 0.00 S ATOM 0 H CYS A 16 16.390 -1.701 8.555 1.00 0.00 H new ATOM 0 HA CYS A 16 18.197 -2.507 6.320 1.00 0.00 H new ATOM 0 HB2 CYS A 16 15.848 -1.744 5.864 1.00 0.00 H new ATOM 0 HB3 CYS A 16 16.222 -0.222 6.647 1.00 0.00 H new ATOM 0 HG CYS A 16 16.161 0.039 3.798 1.00 0.00 H new ATOM 122 N GLU A 17 18.832 -0.465 8.697 1.00 0.00 N ATOM 123 CA GLU A 17 19.895 0.274 9.447 1.00 0.00 C ATOM 124 C GLU A 17 19.659 1.797 9.452 1.00 0.00 C ATOM 125 O GLU A 17 20.245 2.510 10.280 1.00 0.00 O ATOM 126 CB GLU A 17 21.366 -0.054 8.996 1.00 0.00 C ATOM 127 CG GLU A 17 21.938 -1.415 9.460 1.00 0.00 C ATOM 128 CD GLU A 17 21.264 -2.646 8.833 1.00 0.00 C ATOM 129 OE1 GLU A 17 21.573 -2.976 7.669 1.00 0.00 O ATOM 130 OE2 GLU A 17 20.425 -3.293 9.493 1.00 0.00 O ATOM 0 H GLU A 17 18.066 -0.754 9.306 1.00 0.00 H new ATOM 0 HA GLU A 17 19.802 -0.098 10.467 1.00 0.00 H new ATOM 0 HB2 GLU A 17 21.406 -0.019 7.907 1.00 0.00 H new ATOM 0 HB3 GLU A 17 22.021 0.736 9.364 1.00 0.00 H new ATOM 0 HG2 GLU A 17 23.003 -1.444 9.228 1.00 0.00 H new ATOM 0 HG3 GLU A 17 21.846 -1.481 10.544 1.00 0.00 H new ATOM 137 N TYR A 18 18.795 2.294 8.552 1.00 0.00 N ATOM 138 CA TYR A 18 18.458 3.728 8.481 1.00 0.00 C ATOM 139 C TYR A 18 16.941 3.876 8.335 1.00 0.00 C ATOM 140 O TYR A 18 16.287 4.610 9.081 1.00 0.00 O ATOM 141 CB TYR A 18 19.194 4.431 7.313 1.00 0.00 C ATOM 142 CG TYR A 18 19.064 5.954 7.379 1.00 0.00 C ATOM 143 CD1 TYR A 18 19.650 6.655 8.430 1.00 0.00 C ATOM 144 CD2 TYR A 18 18.318 6.680 6.443 1.00 0.00 C ATOM 145 CE1 TYR A 18 19.511 8.010 8.547 1.00 0.00 C ATOM 146 CE2 TYR A 18 18.168 8.048 6.564 1.00 0.00 C ATOM 147 CZ TYR A 18 18.769 8.710 7.618 1.00 0.00 C ATOM 148 OH TYR A 18 18.616 10.075 7.762 1.00 0.00 O ATOM 0 H TYR A 18 18.314 1.721 7.859 1.00 0.00 H new ATOM 0 HA TYR A 18 18.788 4.212 9.400 1.00 0.00 H new ATOM 0 HB2 TYR A 18 20.249 4.157 7.334 1.00 0.00 H new ATOM 0 HB3 TYR A 18 18.791 4.075 6.365 1.00 0.00 H new ATOM 0 HD1 TYR A 18 20.226 6.117 9.168 1.00 0.00 H new ATOM 0 HD2 TYR A 18 17.854 6.164 5.616 1.00 0.00 H new ATOM 0 HE1 TYR A 18 19.982 8.532 9.367 1.00 0.00 H new ATOM 0 HE2 TYR A 18 17.585 8.597 5.839 1.00 0.00 H new ATOM 0 HH TYR A 18 18.068 10.422 7.027 1.00 0.00 H new ATOM 158 N CYS A 19 16.401 3.151 7.347 1.00 0.00 N ATOM 159 CA CYS A 19 14.961 3.130 7.048 1.00 0.00 C ATOM 160 C CYS A 19 14.416 1.704 7.116 1.00 0.00 C ATOM 161 O CYS A 19 14.249 1.062 6.098 1.00 0.00 O ATOM 162 CB CYS A 19 14.685 3.792 5.664 1.00 0.00 C ATOM 163 SG CYS A 19 15.816 3.274 4.333 1.00 0.00 S ATOM 0 H CYS A 19 16.954 2.558 6.728 1.00 0.00 H new ATOM 0 HA CYS A 19 14.435 3.714 7.804 1.00 0.00 H new ATOM 0 HB2 CYS A 19 13.663 3.562 5.364 1.00 0.00 H new ATOM 0 HB3 CYS A 19 14.748 4.874 5.775 1.00 0.00 H new ATOM 0 HG CYS A 19 16.168 2.037 4.520 1.00 0.00 H new ATOM 168 N ALA A 20 14.263 1.172 8.341 1.00 0.00 N ATOM 169 CA ALA A 20 13.370 0.025 8.599 1.00 0.00 C ATOM 170 C ALA A 20 13.068 -0.147 10.078 1.00 0.00 C ATOM 171 O ALA A 20 13.902 0.129 10.944 1.00 0.00 O ATOM 172 CB ALA A 20 13.900 -1.299 8.038 1.00 0.00 C ATOM 0 H ALA A 20 14.746 1.517 9.170 1.00 0.00 H new ATOM 0 HA ALA A 20 12.449 0.270 8.069 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.194 -2.098 8.264 1.00 0.00 H new ATOM 0 HB2 ALA A 20 14.019 -1.215 6.958 1.00 0.00 H new ATOM 0 HB3 ALA A 20 14.864 -1.527 8.493 1.00 0.00 H new ATOM 178 N ARG A 21 11.839 -0.607 10.328 1.00 0.00 N ATOM 179 CA ARG A 21 11.430 -1.196 11.604 1.00 0.00 C ATOM 180 C ARG A 21 11.960 -2.648 11.681 1.00 0.00 C ATOM 181 O ARG A 21 12.755 -3.080 10.830 1.00 0.00 O ATOM 182 CB ARG A 21 9.877 -1.140 11.718 1.00 0.00 C ATOM 183 CG ARG A 21 9.126 -2.025 10.695 1.00 0.00 C ATOM 184 CD ARG A 21 7.612 -1.760 10.681 1.00 0.00 C ATOM 185 NE ARG A 21 7.292 -0.393 10.203 1.00 0.00 N ATOM 186 CZ ARG A 21 6.487 0.489 10.819 1.00 0.00 C ATOM 187 NH1 ARG A 21 5.898 0.197 11.967 1.00 0.00 N ATOM 188 NH2 ARG A 21 6.282 1.682 10.282 1.00 0.00 N ATOM 0 H ARG A 21 11.089 -0.580 9.637 1.00 0.00 H new ATOM 0 HA ARG A 21 11.849 -0.637 12.441 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.588 -1.445 12.724 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.553 -0.107 11.592 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.531 -1.846 9.699 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.305 -3.075 10.928 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.122 -2.492 10.040 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.211 -1.896 11.685 1.00 0.00 H new ATOM 0 HE ARG A 21 7.722 -0.095 9.327 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.051 -0.713 12.402 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.291 0.882 12.417 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.735 1.930 9.402 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.671 2.353 10.748 1.00 0.00 H new ATOM 202 N ALA A 22 11.524 -3.387 12.700 1.00 0.00 N ATOM 203 CA ALA A 22 11.878 -4.802 12.860 1.00 0.00 C ATOM 204 C ALA A 22 10.940 -5.650 11.988 1.00 0.00 C ATOM 205 O ALA A 22 9.716 -5.509 12.080 1.00 0.00 O ATOM 206 CB ALA A 22 11.805 -5.199 14.342 1.00 0.00 C ATOM 0 H ALA A 22 10.918 -3.026 13.437 1.00 0.00 H new ATOM 0 HA ALA A 22 12.903 -4.977 12.532 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.069 -6.251 14.450 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.501 -4.589 14.917 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.792 -5.040 14.712 1.00 0.00 H new ATOM 212 N PHE A 23 11.515 -6.488 11.109 1.00 0.00 N ATOM 213 CA PHE A 23 10.746 -7.387 10.238 1.00 0.00 C ATOM 214 C PHE A 23 10.934 -8.845 10.666 1.00 0.00 C ATOM 215 O PHE A 23 11.993 -9.221 11.177 1.00 0.00 O ATOM 216 CB PHE A 23 11.162 -7.203 8.760 1.00 0.00 C ATOM 217 CG PHE A 23 10.751 -5.855 8.160 1.00 0.00 C ATOM 218 CD1 PHE A 23 9.407 -5.566 7.920 1.00 0.00 C ATOM 219 CD2 PHE A 23 11.696 -4.891 7.823 1.00 0.00 C ATOM 220 CE1 PHE A 23 9.029 -4.358 7.366 1.00 0.00 C ATOM 221 CE2 PHE A 23 11.316 -3.690 7.269 1.00 0.00 C ATOM 222 CZ PHE A 23 9.986 -3.422 7.039 1.00 0.00 C ATOM 0 H PHE A 23 12.525 -6.560 10.984 1.00 0.00 H new ATOM 0 HA PHE A 23 9.691 -7.132 10.334 1.00 0.00 H new ATOM 0 HB2 PHE A 23 12.244 -7.309 8.682 1.00 0.00 H new ATOM 0 HB3 PHE A 23 10.720 -8.003 8.167 1.00 0.00 H new ATOM 0 HD1 PHE A 23 8.652 -6.297 8.171 1.00 0.00 H new ATOM 0 HD2 PHE A 23 12.743 -5.088 7.999 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.985 -4.148 7.189 1.00 0.00 H new ATOM 0 HE2 PHE A 23 12.065 -2.955 7.014 1.00 0.00 H new ATOM 0 HZ PHE A 23 9.692 -2.479 6.603 1.00 0.00 H new ATOM 232 N LYS A 24 9.870 -9.638 10.467 1.00 0.00 N ATOM 233 CA LYS A 24 9.865 -11.090 10.711 1.00 0.00 C ATOM 234 C LYS A 24 10.930 -11.828 9.879 1.00 0.00 C ATOM 235 O LYS A 24 11.560 -12.772 10.359 1.00 0.00 O ATOM 236 CB LYS A 24 8.469 -11.675 10.366 1.00 0.00 C ATOM 237 CG LYS A 24 7.294 -11.087 11.170 1.00 0.00 C ATOM 238 CD LYS A 24 5.930 -11.561 10.625 1.00 0.00 C ATOM 239 CE LYS A 24 4.751 -10.970 11.405 1.00 0.00 C ATOM 240 NZ LYS A 24 3.448 -11.346 10.813 1.00 0.00 N ATOM 0 H LYS A 24 8.976 -9.284 10.127 1.00 0.00 H new ATOM 0 HA LYS A 24 10.097 -11.238 11.766 1.00 0.00 H new ATOM 0 HB2 LYS A 24 8.278 -11.515 9.305 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.495 -12.753 10.527 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.388 -11.378 12.216 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.340 -9.998 11.137 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.844 -11.281 9.575 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.882 -12.649 10.669 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.792 -11.314 12.439 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.839 -9.884 11.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.678 -10.925 11.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 3.397 -10.996 9.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 3.351 -12.381 10.816 1.00 0.00 H new ATOM 254 N SER A 25 11.141 -11.378 8.640 1.00 0.00 N ATOM 255 CA SER A 25 11.925 -12.134 7.652 1.00 0.00 C ATOM 256 C SER A 25 12.677 -11.190 6.704 1.00 0.00 C ATOM 257 O SER A 25 12.299 -10.021 6.532 1.00 0.00 O ATOM 258 CB SER A 25 10.982 -13.072 6.854 1.00 0.00 C ATOM 259 OG SER A 25 11.683 -13.846 5.897 1.00 0.00 O ATOM 0 H SER A 25 10.779 -10.490 8.293 1.00 0.00 H new ATOM 0 HA SER A 25 12.669 -12.733 8.178 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.462 -13.735 7.545 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.221 -12.476 6.350 1.00 0.00 H new ATOM 0 HG SER A 25 11.053 -14.424 5.418 1.00 0.00 H new ATOM 265 N SER A 26 13.769 -11.726 6.127 1.00 0.00 N ATOM 266 CA SER A 26 14.535 -11.078 5.051 1.00 0.00 C ATOM 267 C SER A 26 13.643 -10.758 3.834 1.00 0.00 C ATOM 268 O SER A 26 13.937 -9.823 3.102 1.00 0.00 O ATOM 269 CB SER A 26 15.730 -11.970 4.635 1.00 0.00 C ATOM 270 OG SER A 26 15.299 -13.269 4.258 1.00 0.00 O ATOM 0 H SER A 26 14.147 -12.633 6.400 1.00 0.00 H new ATOM 0 HA SER A 26 14.918 -10.131 5.433 1.00 0.00 H new ATOM 0 HB2 SER A 26 16.261 -11.506 3.804 1.00 0.00 H new ATOM 0 HB3 SER A 26 16.436 -12.045 5.462 1.00 0.00 H new ATOM 0 HG SER A 26 16.075 -13.809 3.999 1.00 0.00 H new ATOM 276 N HIS A 27 12.552 -11.544 3.641 1.00 0.00 N ATOM 277 CA HIS A 27 11.573 -11.309 2.558 1.00 0.00 C ATOM 278 C HIS A 27 10.736 -10.047 2.847 1.00 0.00 C ATOM 279 O HIS A 27 10.446 -9.268 1.940 1.00 0.00 O ATOM 280 CB HIS A 27 10.640 -12.536 2.366 1.00 0.00 C ATOM 281 CG HIS A 27 9.741 -12.420 1.151 1.00 0.00 C ATOM 282 ND1 HIS A 27 10.083 -12.924 -0.082 1.00 0.00 N ATOM 283 CD2 HIS A 27 8.549 -11.795 0.973 1.00 0.00 C ATOM 284 CE1 HIS A 27 9.156 -12.608 -0.962 1.00 0.00 C ATOM 285 NE2 HIS A 27 8.213 -11.923 -0.350 1.00 0.00 N ATOM 0 H HIS A 27 12.332 -12.349 4.227 1.00 0.00 H new ATOM 0 HA HIS A 27 12.132 -11.158 1.634 1.00 0.00 H new ATOM 0 HB2 HIS A 27 11.248 -13.436 2.275 1.00 0.00 H new ATOM 0 HB3 HIS A 27 10.023 -12.657 3.256 1.00 0.00 H new ATOM 0 HD1 HIS A 27 10.926 -13.461 -0.284 1.00 0.00 H new ATOM 0 HD2 HIS A 27 7.972 -11.290 1.733 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.167 -12.867 -2.010 1.00 0.00 H new ATOM 294 N ASN A 28 10.344 -9.885 4.120 1.00 0.00 N ATOM 295 CA ASN A 28 9.531 -8.736 4.596 1.00 0.00 C ATOM 296 C ASN A 28 10.282 -7.419 4.355 1.00 0.00 C ATOM 297 O ASN A 28 9.744 -6.448 3.814 1.00 0.00 O ATOM 298 CB ASN A 28 9.234 -8.896 6.107 1.00 0.00 C ATOM 299 CG ASN A 28 8.407 -10.139 6.450 1.00 0.00 C ATOM 300 OD1 ASN A 28 8.497 -11.170 5.783 1.00 0.00 O ATOM 301 ND2 ASN A 28 7.581 -10.045 7.482 1.00 0.00 N ATOM 0 H ASN A 28 10.579 -10.547 4.859 1.00 0.00 H new ATOM 0 HA ASN A 28 8.593 -8.715 4.042 1.00 0.00 H new ATOM 0 HB2 ASN A 28 10.178 -8.939 6.650 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.704 -8.011 6.459 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.998 -10.840 7.743 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.528 -9.177 8.016 1.00 0.00 H new ATOM 308 N LEU A 29 11.539 -7.427 4.793 1.00 0.00 N ATOM 309 CA LEU A 29 12.508 -6.351 4.552 1.00 0.00 C ATOM 310 C LEU A 29 12.818 -6.196 3.044 1.00 0.00 C ATOM 311 O LEU A 29 13.013 -5.082 2.584 1.00 0.00 O ATOM 312 CB LEU A 29 13.775 -6.629 5.422 1.00 0.00 C ATOM 313 CG LEU A 29 15.154 -6.062 4.931 1.00 0.00 C ATOM 314 CD1 LEU A 29 15.193 -4.517 4.960 1.00 0.00 C ATOM 315 CD2 LEU A 29 16.318 -6.675 5.742 1.00 0.00 C ATOM 0 H LEU A 29 11.925 -8.198 5.338 1.00 0.00 H new ATOM 0 HA LEU A 29 12.091 -5.390 4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 29 13.588 -6.230 6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.877 -7.709 5.525 1.00 0.00 H new ATOM 0 HG LEU A 29 15.276 -6.356 3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 29 16.166 -4.171 4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.413 -4.121 4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.027 -4.168 5.979 1.00 0.00 H new ATOM 0 HD21 LEU A 29 17.264 -6.268 5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 29 16.194 -6.432 6.797 1.00 0.00 H new ATOM 0 HD23 LEU A 29 16.318 -7.758 5.616 1.00 0.00 H new ATOM 327 N ALA A 30 12.850 -7.317 2.301 1.00 0.00 N ATOM 328 CA ALA A 30 13.032 -7.317 0.812 1.00 0.00 C ATOM 329 C ALA A 30 11.904 -6.561 0.081 1.00 0.00 C ATOM 330 O ALA A 30 12.134 -5.966 -0.980 1.00 0.00 O ATOM 331 CB ALA A 30 13.136 -8.747 0.256 1.00 0.00 C ATOM 0 H ALA A 30 12.752 -8.251 2.700 1.00 0.00 H new ATOM 0 HA ALA A 30 13.969 -6.792 0.625 1.00 0.00 H new ATOM 0 HB1 ALA A 30 13.267 -8.708 -0.825 1.00 0.00 H new ATOM 0 HB2 ALA A 30 13.990 -9.252 0.707 1.00 0.00 H new ATOM 0 HB3 ALA A 30 12.224 -9.296 0.491 1.00 0.00 H new ATOM 337 N VAL A 31 10.690 -6.607 0.661 1.00 0.00 N ATOM 338 CA VAL A 31 9.536 -5.847 0.156 1.00 0.00 C ATOM 339 C VAL A 31 9.822 -4.336 0.280 1.00 0.00 C ATOM 340 O VAL A 31 9.706 -3.608 -0.700 1.00 0.00 O ATOM 341 CB VAL A 31 8.209 -6.230 0.905 1.00 0.00 C ATOM 342 CG1 VAL A 31 7.028 -5.330 0.466 1.00 0.00 C ATOM 343 CG2 VAL A 31 7.870 -7.725 0.687 1.00 0.00 C ATOM 0 H VAL A 31 10.484 -7.169 1.487 1.00 0.00 H new ATOM 0 HA VAL A 31 9.390 -6.102 -0.894 1.00 0.00 H new ATOM 0 HB VAL A 31 8.371 -6.064 1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.127 -5.624 1.005 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.261 -4.289 0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.863 -5.443 -0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.948 -7.970 1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.741 -7.917 -0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.682 -8.342 1.072 1.00 0.00 H new ATOM 353 N HIS A 32 10.272 -3.908 1.480 1.00 0.00 N ATOM 354 CA HIS A 32 10.710 -2.512 1.749 1.00 0.00 C ATOM 355 C HIS A 32 11.893 -2.120 0.837 1.00 0.00 C ATOM 356 O HIS A 32 11.974 -0.994 0.331 1.00 0.00 O ATOM 357 CB HIS A 32 11.120 -2.346 3.252 1.00 0.00 C ATOM 358 CG HIS A 32 12.006 -1.140 3.498 1.00 0.00 C ATOM 359 ND1 HIS A 32 11.547 0.152 3.468 1.00 0.00 N ATOM 360 CD2 HIS A 32 13.360 -1.055 3.622 1.00 0.00 C ATOM 361 CE1 HIS A 32 12.598 0.970 3.551 1.00 0.00 C ATOM 362 NE2 HIS A 32 13.726 0.294 3.653 1.00 0.00 N ATOM 0 H HIS A 32 10.344 -4.519 2.294 1.00 0.00 H new ATOM 0 HA HIS A 32 9.871 -1.850 1.534 1.00 0.00 H new ATOM 0 HB2 HIS A 32 10.220 -2.258 3.860 1.00 0.00 H new ATOM 0 HB3 HIS A 32 11.641 -3.245 3.582 1.00 0.00 H new ATOM 0 HD1 HIS A 32 10.571 0.438 3.395 1.00 0.00 H new ATOM 0 HD2 HIS A 32 14.039 -1.892 3.686 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.533 2.048 3.537 1.00 0.00 H new ATOM 370 N ARG A 33 12.788 -3.088 0.644 1.00 0.00 N ATOM 371 CA ARG A 33 14.048 -2.938 -0.100 1.00 0.00 C ATOM 372 C ARG A 33 13.797 -2.692 -1.611 1.00 0.00 C ATOM 373 O ARG A 33 14.742 -2.516 -2.350 1.00 0.00 O ATOM 374 CB ARG A 33 14.910 -4.207 0.130 1.00 0.00 C ATOM 375 CG ARG A 33 16.406 -4.097 -0.227 1.00 0.00 C ATOM 376 CD ARG A 33 17.103 -5.467 -0.223 1.00 0.00 C ATOM 377 NE ARG A 33 18.550 -5.355 -0.450 1.00 0.00 N ATOM 378 CZ ARG A 33 19.417 -6.380 -0.461 1.00 0.00 C ATOM 379 NH1 ARG A 33 18.984 -7.630 -0.395 1.00 0.00 N ATOM 380 NH2 ARG A 33 20.717 -6.138 -0.559 1.00 0.00 N ATOM 0 H ARG A 33 12.656 -4.030 1.011 1.00 0.00 H new ATOM 0 HA ARG A 33 14.581 -2.061 0.268 1.00 0.00 H new ATOM 0 HB2 ARG A 33 14.830 -4.488 1.180 1.00 0.00 H new ATOM 0 HB3 ARG A 33 14.479 -5.022 -0.452 1.00 0.00 H new ATOM 0 HG2 ARG A 33 16.511 -3.640 -1.211 1.00 0.00 H new ATOM 0 HG3 ARG A 33 16.901 -3.437 0.485 1.00 0.00 H new ATOM 0 HD2 ARG A 33 16.924 -5.961 0.732 1.00 0.00 H new ATOM 0 HD3 ARG A 33 16.664 -6.098 -0.995 1.00 0.00 H new ATOM 0 HE ARG A 33 18.927 -4.421 -0.613 1.00 0.00 H new ATOM 0 HH11 ARG A 33 17.984 -7.821 -0.335 1.00 0.00 H new ATOM 0 HH12 ARG A 33 19.651 -8.402 -0.404 1.00 0.00 H new ATOM 0 HH21 ARG A 33 21.053 -5.177 -0.625 1.00 0.00 H new ATOM 0 HH22 ARG A 33 21.381 -6.912 -0.568 1.00 0.00 H new ATOM 394 N MET A 34 12.506 -2.607 -2.016 1.00 0.00 N ATOM 395 CA MET A 34 12.048 -2.228 -3.387 1.00 0.00 C ATOM 396 C MET A 34 12.800 -0.989 -3.975 1.00 0.00 C ATOM 397 O MET A 34 12.875 -0.824 -5.195 1.00 0.00 O ATOM 398 CB MET A 34 10.523 -1.913 -3.322 1.00 0.00 C ATOM 399 CG MET A 34 10.178 -0.636 -2.518 1.00 0.00 C ATOM 400 SD MET A 34 8.421 -0.204 -2.494 1.00 0.00 S ATOM 401 CE MET A 34 7.753 -1.310 -1.260 1.00 0.00 C ATOM 0 H MET A 34 11.729 -2.804 -1.385 1.00 0.00 H new ATOM 0 HA MET A 34 12.265 -3.067 -4.048 1.00 0.00 H new ATOM 0 HB2 MET A 34 10.141 -1.805 -4.337 1.00 0.00 H new ATOM 0 HB3 MET A 34 10.006 -2.762 -2.875 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.519 -0.767 -1.491 1.00 0.00 H new ATOM 0 HG3 MET A 34 10.738 0.201 -2.935 1.00 0.00 H new ATOM 0 HE1 MET A 34 6.706 -1.066 -1.081 1.00 0.00 H new ATOM 0 HE2 MET A 34 7.831 -2.338 -1.613 1.00 0.00 H new ATOM 0 HE3 MET A 34 8.314 -1.201 -0.332 1.00 0.00 H new ATOM 411 N ILE A 35 13.362 -0.163 -3.077 1.00 0.00 N ATOM 412 CA ILE A 35 14.142 1.024 -3.412 1.00 0.00 C ATOM 413 C ILE A 35 15.636 0.638 -3.627 1.00 0.00 C ATOM 414 O ILE A 35 16.220 0.975 -4.665 1.00 0.00 O ATOM 415 CB ILE A 35 13.942 2.157 -2.320 1.00 0.00 C ATOM 416 CG1 ILE A 35 15.067 3.238 -2.368 1.00 0.00 C ATOM 417 CG2 ILE A 35 13.784 1.580 -0.894 1.00 0.00 C ATOM 418 CD1 ILE A 35 15.123 4.075 -3.640 1.00 0.00 C ATOM 0 H ILE A 35 13.280 -0.313 -2.071 1.00 0.00 H new ATOM 0 HA ILE A 35 13.782 1.442 -4.352 1.00 0.00 H new ATOM 0 HB ILE A 35 13.006 2.653 -2.575 1.00 0.00 H new ATOM 0 HG12 ILE A 35 14.938 3.909 -1.519 1.00 0.00 H new ATOM 0 HG13 ILE A 35 16.029 2.742 -2.239 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.650 2.396 -0.184 1.00 0.00 H new ATOM 0 HG22 ILE A 35 12.914 0.924 -0.861 1.00 0.00 H new ATOM 0 HG23 ILE A 35 14.676 1.013 -0.630 1.00 0.00 H new ATOM 0 HD11 ILE A 35 15.940 4.793 -3.567 1.00 0.00 H new ATOM 0 HD12 ILE A 35 15.289 3.423 -4.498 1.00 0.00 H new ATOM 0 HD13 ILE A 35 14.181 4.608 -3.766 1.00 0.00 H new ATOM 430 N HIS A 36 16.243 -0.103 -2.666 1.00 0.00 N ATOM 431 CA HIS A 36 17.720 -0.385 -2.655 1.00 0.00 C ATOM 432 C HIS A 36 18.039 -1.778 -3.246 1.00 0.00 C ATOM 433 O HIS A 36 19.189 -2.226 -3.184 1.00 0.00 O ATOM 434 CB HIS A 36 18.322 -0.313 -1.208 1.00 0.00 C ATOM 435 CG HIS A 36 17.557 0.509 -0.208 1.00 0.00 C ATOM 436 ND1 HIS A 36 17.647 1.877 -0.088 1.00 0.00 N ATOM 437 CD2 HIS A 36 16.694 0.110 0.751 1.00 0.00 C ATOM 438 CE1 HIS A 36 16.867 2.246 0.931 1.00 0.00 C ATOM 439 NE2 HIS A 36 16.264 1.205 1.479 1.00 0.00 N ATOM 0 H HIS A 36 15.740 -0.521 -1.883 1.00 0.00 H new ATOM 0 HA HIS A 36 18.175 0.389 -3.273 1.00 0.00 H new ATOM 0 HB2 HIS A 36 18.407 -1.329 -0.822 1.00 0.00 H new ATOM 0 HB3 HIS A 36 19.333 0.087 -1.278 1.00 0.00 H new ATOM 0 HD2 HIS A 36 16.386 -0.911 0.924 1.00 0.00 H new ATOM 0 HE1 HIS A 36 16.744 3.266 1.265 1.00 0.00 H new ATOM 0 HE2 HIS A 36 15.619 1.208 2.270 1.00 0.00 H new ATOM 447 N THR A 37 17.017 -2.450 -3.787 1.00 0.00 N ATOM 448 CA THR A 37 17.049 -3.891 -4.097 1.00 0.00 C ATOM 449 C THR A 37 18.168 -4.297 -5.080 1.00 0.00 C ATOM 450 O THR A 37 19.028 -5.113 -4.729 1.00 0.00 O ATOM 451 CB THR A 37 15.641 -4.369 -4.603 1.00 0.00 C ATOM 452 OG1 THR A 37 15.672 -5.744 -4.999 1.00 0.00 O ATOM 453 CG2 THR A 37 15.088 -3.486 -5.749 1.00 0.00 C ATOM 0 H THR A 37 16.131 -2.006 -4.027 1.00 0.00 H new ATOM 0 HA THR A 37 17.290 -4.402 -3.165 1.00 0.00 H new ATOM 0 HB THR A 37 14.959 -4.264 -3.759 1.00 0.00 H new ATOM 0 HG1 THR A 37 16.217 -6.255 -4.364 1.00 0.00 H new ATOM 0 HG21 THR A 37 14.113 -3.862 -6.060 1.00 0.00 H new ATOM 0 HG22 THR A 37 14.986 -2.458 -5.400 1.00 0.00 H new ATOM 0 HG23 THR A 37 15.775 -3.516 -6.595 1.00 0.00 H new ATOM 461 N GLY A 38 18.153 -3.739 -6.302 1.00 0.00 N ATOM 462 CA GLY A 38 19.003 -4.205 -7.401 1.00 0.00 C ATOM 463 C GLY A 38 18.530 -5.531 -8.016 1.00 0.00 C ATOM 464 O GLY A 38 18.722 -5.765 -9.211 1.00 0.00 O ATOM 0 H GLY A 38 17.551 -2.954 -6.552 1.00 0.00 H new ATOM 0 HA2 GLY A 38 19.031 -3.442 -8.178 1.00 0.00 H new ATOM 0 HA3 GLY A 38 20.023 -4.325 -7.036 1.00 0.00 H new ATOM 468 N GLU A 39 17.926 -6.409 -7.187 1.00 0.00 N ATOM 469 CA GLU A 39 17.250 -7.648 -7.621 1.00 0.00 C ATOM 470 C GLU A 39 15.965 -7.308 -8.392 1.00 0.00 C ATOM 471 O GLU A 39 15.667 -7.913 -9.430 1.00 0.00 O ATOM 472 CB GLU A 39 16.871 -8.467 -6.352 1.00 0.00 C ATOM 473 CG GLU A 39 18.011 -8.636 -5.315 1.00 0.00 C ATOM 474 CD GLU A 39 17.488 -8.741 -3.868 1.00 0.00 C ATOM 475 OE1 GLU A 39 17.306 -7.685 -3.217 1.00 0.00 O ATOM 476 OE2 GLU A 39 17.236 -9.869 -3.384 1.00 0.00 O ATOM 0 H GLU A 39 17.895 -6.272 -6.177 1.00 0.00 H new ATOM 0 HA GLU A 39 17.914 -8.219 -8.270 1.00 0.00 H new ATOM 0 HB2 GLU A 39 16.026 -7.982 -5.864 1.00 0.00 H new ATOM 0 HB3 GLU A 39 16.534 -9.456 -6.664 1.00 0.00 H new ATOM 0 HG2 GLU A 39 18.586 -9.531 -5.555 1.00 0.00 H new ATOM 0 HG3 GLU A 39 18.693 -7.789 -5.390 1.00 0.00 H new ATOM 483 N LYS A 40 15.234 -6.315 -7.830 1.00 0.00 N ATOM 484 CA LYS A 40 13.891 -5.897 -8.249 1.00 0.00 C ATOM 485 C LYS A 40 12.844 -6.991 -7.934 1.00 0.00 C ATOM 486 O LYS A 40 12.750 -7.978 -8.663 1.00 0.00 O ATOM 487 CB LYS A 40 13.835 -5.471 -9.748 1.00 0.00 C ATOM 488 CG LYS A 40 14.685 -4.231 -10.099 1.00 0.00 C ATOM 489 CD LYS A 40 14.612 -3.889 -11.606 1.00 0.00 C ATOM 490 CE LYS A 40 15.429 -2.640 -11.974 1.00 0.00 C ATOM 491 NZ LYS A 40 15.396 -2.356 -13.428 1.00 0.00 N ATOM 0 H LYS A 40 15.585 -5.768 -7.044 1.00 0.00 H new ATOM 0 HA LYS A 40 13.642 -5.010 -7.667 1.00 0.00 H new ATOM 0 HB2 LYS A 40 14.167 -6.308 -10.362 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.798 -5.271 -10.016 1.00 0.00 H new ATOM 0 HG2 LYS A 40 14.340 -3.377 -9.516 1.00 0.00 H new ATOM 0 HG3 LYS A 40 15.723 -4.411 -9.817 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.975 -4.738 -12.185 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.571 -3.733 -11.888 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.040 -1.780 -11.429 1.00 0.00 H new ATOM 0 HE3 LYS A 40 16.462 -2.778 -11.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.960 -1.506 -13.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 15.792 -3.165 -13.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.413 -2.198 -13.729 1.00 0.00 H new ATOM 505 N PRO A 41 12.049 -6.850 -6.819 1.00 0.00 N ATOM 506 CA PRO A 41 10.879 -7.724 -6.549 1.00 0.00 C ATOM 507 C PRO A 41 9.712 -7.433 -7.526 1.00 0.00 C ATOM 508 O PRO A 41 9.903 -6.807 -8.582 1.00 0.00 O ATOM 509 CB PRO A 41 10.518 -7.386 -5.072 1.00 0.00 C ATOM 510 CG PRO A 41 10.975 -5.968 -4.901 1.00 0.00 C ATOM 511 CD PRO A 41 12.246 -5.861 -5.717 1.00 0.00 C ATOM 0 HA PRO A 41 11.089 -8.784 -6.694 1.00 0.00 H new ATOM 0 HB2 PRO A 41 9.448 -7.485 -4.890 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.023 -8.055 -4.375 1.00 0.00 H new ATOM 0 HG2 PRO A 41 10.220 -5.265 -5.254 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.160 -5.737 -3.852 1.00 0.00 H new ATOM 0 HD2 PRO A 41 12.388 -4.853 -6.106 1.00 0.00 H new ATOM 0 HD3 PRO A 41 13.126 -6.099 -5.119 1.00 0.00 H new ATOM 519 N LEU A 42 8.505 -7.888 -7.170 1.00 0.00 N ATOM 520 CA LEU A 42 7.316 -7.744 -8.015 1.00 0.00 C ATOM 521 C LEU A 42 6.501 -6.555 -7.488 1.00 0.00 C ATOM 522 O LEU A 42 5.872 -6.651 -6.431 1.00 0.00 O ATOM 523 CB LEU A 42 6.519 -9.073 -7.992 1.00 0.00 C ATOM 524 CG LEU A 42 7.327 -10.324 -8.478 1.00 0.00 C ATOM 525 CD1 LEU A 42 6.610 -11.637 -8.135 1.00 0.00 C ATOM 526 CD2 LEU A 42 7.637 -10.243 -9.993 1.00 0.00 C ATOM 0 H LEU A 42 8.326 -8.367 -6.287 1.00 0.00 H new ATOM 0 HA LEU A 42 7.576 -7.543 -9.054 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.169 -9.255 -6.976 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.634 -8.962 -8.619 1.00 0.00 H new ATOM 0 HG LEU A 42 8.275 -10.318 -7.940 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.204 -12.479 -8.490 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.484 -11.711 -7.055 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.632 -11.654 -8.617 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.198 -11.126 -10.297 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.703 -10.196 -10.553 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.228 -9.350 -10.196 1.00 0.00 H new ATOM 538 N GLN A 43 6.533 -5.431 -8.221 1.00 0.00 N ATOM 539 CA GLN A 43 5.992 -4.138 -7.756 1.00 0.00 C ATOM 540 C GLN A 43 5.111 -3.506 -8.848 1.00 0.00 C ATOM 541 O GLN A 43 5.471 -3.521 -10.032 1.00 0.00 O ATOM 542 CB GLN A 43 7.156 -3.186 -7.374 1.00 0.00 C ATOM 543 CG GLN A 43 6.719 -1.817 -6.804 1.00 0.00 C ATOM 544 CD GLN A 43 7.892 -0.879 -6.496 1.00 0.00 C ATOM 545 OE1 GLN A 43 8.993 -1.322 -6.170 1.00 0.00 O ATOM 546 NE2 GLN A 43 7.665 0.419 -6.601 1.00 0.00 N ATOM 0 H GLN A 43 6.936 -5.390 -9.157 1.00 0.00 H new ATOM 0 HA GLN A 43 5.375 -4.307 -6.873 1.00 0.00 H new ATOM 0 HB2 GLN A 43 7.787 -3.685 -6.638 1.00 0.00 H new ATOM 0 HB3 GLN A 43 7.771 -3.015 -8.258 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.054 -1.331 -7.518 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.145 -1.979 -5.892 1.00 0.00 H new ATOM 0 HE21 GLN A 43 6.741 0.755 -6.873 1.00 0.00 H new ATOM 0 HE22 GLN A 43 8.414 1.085 -6.410 1.00 0.00 H new ATOM 555 N CYS A 44 3.941 -2.987 -8.436 1.00 0.00 N ATOM 556 CA CYS A 44 2.974 -2.318 -9.326 1.00 0.00 C ATOM 557 C CYS A 44 3.562 -1.031 -9.895 1.00 0.00 C ATOM 558 O CYS A 44 3.695 -0.039 -9.171 1.00 0.00 O ATOM 559 CB CYS A 44 1.669 -1.989 -8.561 1.00 0.00 C ATOM 560 SG CYS A 44 0.667 -0.651 -9.298 1.00 0.00 S ATOM 0 H CYS A 44 3.636 -3.021 -7.463 1.00 0.00 H new ATOM 0 HA CYS A 44 2.750 -3.000 -10.146 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.060 -2.891 -8.505 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.924 -1.712 -7.538 1.00 0.00 H new ATOM 0 HG CYS A 44 0.406 0.245 -8.393 1.00 0.00 H new ATOM 565 N GLU A 45 3.899 -1.045 -11.194 1.00 0.00 N ATOM 566 CA GLU A 45 4.437 0.131 -11.892 1.00 0.00 C ATOM 567 C GLU A 45 3.293 1.003 -12.462 1.00 0.00 C ATOM 568 O GLU A 45 3.185 1.228 -13.669 1.00 0.00 O ATOM 569 CB GLU A 45 5.451 -0.298 -12.989 1.00 0.00 C ATOM 570 CG GLU A 45 6.301 0.861 -13.551 1.00 0.00 C ATOM 571 CD GLU A 45 7.067 1.616 -12.449 1.00 0.00 C ATOM 572 OE1 GLU A 45 8.066 1.074 -11.935 1.00 0.00 O ATOM 573 OE2 GLU A 45 6.665 2.739 -12.075 1.00 0.00 O ATOM 0 H GLU A 45 3.806 -1.869 -11.788 1.00 0.00 H new ATOM 0 HA GLU A 45 4.980 0.745 -11.174 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.117 -1.056 -12.576 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.906 -0.765 -13.809 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.011 0.468 -14.279 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.653 1.558 -14.082 1.00 0.00 H new ATOM 580 N ILE A 46 2.393 1.418 -11.569 1.00 0.00 N ATOM 581 CA ILE A 46 1.428 2.494 -11.782 1.00 0.00 C ATOM 582 C ILE A 46 1.630 3.464 -10.623 1.00 0.00 C ATOM 583 O ILE A 46 1.867 4.658 -10.815 1.00 0.00 O ATOM 584 CB ILE A 46 -0.057 1.974 -11.779 1.00 0.00 C ATOM 585 CG1 ILE A 46 -0.359 1.069 -13.013 1.00 0.00 C ATOM 586 CG2 ILE A 46 -1.050 3.153 -11.664 1.00 0.00 C ATOM 587 CD1 ILE A 46 -0.032 1.705 -14.352 1.00 0.00 C ATOM 0 H ILE A 46 2.315 0.997 -10.643 1.00 0.00 H new ATOM 0 HA ILE A 46 1.590 2.956 -12.756 1.00 0.00 H new ATOM 0 HB ILE A 46 -0.189 1.345 -10.898 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.208 0.143 -12.916 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.415 0.799 -13.001 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.071 2.770 -11.664 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.865 3.695 -10.736 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.915 3.826 -12.511 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.272 1.008 -15.154 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.618 2.616 -14.475 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.030 1.949 -14.389 1.00 0.00 H new ATOM 599 N CYS A 47 1.545 2.898 -9.409 1.00 0.00 N ATOM 600 CA CYS A 47 1.776 3.604 -8.176 1.00 0.00 C ATOM 601 C CYS A 47 2.954 2.855 -7.557 1.00 0.00 C ATOM 602 O CYS A 47 4.044 2.839 -8.150 1.00 0.00 O ATOM 603 CB CYS A 47 0.463 3.610 -7.330 1.00 0.00 C ATOM 604 SG CYS A 47 -0.010 2.015 -6.549 1.00 0.00 S ATOM 0 H CYS A 47 1.308 1.915 -9.273 1.00 0.00 H new ATOM 0 HA CYS A 47 2.024 4.661 -8.274 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.566 4.358 -6.544 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.356 3.933 -7.972 1.00 0.00 H new ATOM 0 HG CYS A 47 0.658 1.857 -5.445 1.00 0.00 H new ATOM 609 N GLY A 48 2.770 2.243 -6.407 1.00 0.00 N ATOM 610 CA GLY A 48 3.573 1.106 -5.977 1.00 0.00 C ATOM 611 C GLY A 48 2.711 0.148 -5.159 1.00 0.00 C ATOM 612 O GLY A 48 1.646 0.560 -4.677 1.00 0.00 O ATOM 0 H GLY A 48 2.054 2.519 -5.735 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.984 0.590 -6.845 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.418 1.450 -5.380 1.00 0.00 H new ATOM 616 N PHE A 49 3.170 -1.102 -4.951 1.00 0.00 N ATOM 617 CA PHE A 49 2.423 -2.183 -4.295 1.00 0.00 C ATOM 618 C PHE A 49 3.322 -3.375 -4.543 1.00 0.00 C ATOM 619 O PHE A 49 3.460 -3.788 -5.699 1.00 0.00 O ATOM 620 CB PHE A 49 1.012 -2.413 -4.932 1.00 0.00 C ATOM 621 CG PHE A 49 0.184 -3.605 -4.399 1.00 0.00 C ATOM 622 CD1 PHE A 49 0.522 -4.920 -4.728 1.00 0.00 C ATOM 623 CD2 PHE A 49 -0.949 -3.410 -3.610 1.00 0.00 C ATOM 624 CE1 PHE A 49 -0.228 -5.990 -4.284 1.00 0.00 C ATOM 625 CE2 PHE A 49 -1.705 -4.482 -3.174 1.00 0.00 C ATOM 626 CZ PHE A 49 -1.345 -5.769 -3.507 1.00 0.00 C ATOM 0 H PHE A 49 4.102 -1.392 -5.246 1.00 0.00 H new ATOM 0 HA PHE A 49 2.215 -1.978 -3.245 1.00 0.00 H new ATOM 0 HB2 PHE A 49 0.426 -1.505 -4.792 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.143 -2.546 -6.006 1.00 0.00 H new ATOM 0 HD1 PHE A 49 1.390 -5.103 -5.344 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -1.240 -2.407 -3.336 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.059 -6.998 -4.545 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.583 -4.309 -2.569 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.937 -6.603 -3.160 1.00 0.00 H new ATOM 636 N THR A 50 3.920 -3.942 -3.508 1.00 0.00 N ATOM 637 CA THR A 50 4.950 -4.945 -3.685 1.00 0.00 C ATOM 638 C THR A 50 4.518 -6.229 -2.979 1.00 0.00 C ATOM 639 O THR A 50 4.113 -6.217 -1.806 1.00 0.00 O ATOM 640 CB THR A 50 6.331 -4.466 -3.157 1.00 0.00 C ATOM 641 OG1 THR A 50 6.580 -3.123 -3.614 1.00 0.00 O ATOM 642 CG2 THR A 50 7.486 -5.376 -3.617 1.00 0.00 C ATOM 0 H THR A 50 3.707 -3.722 -2.535 1.00 0.00 H new ATOM 0 HA THR A 50 5.072 -5.130 -4.752 1.00 0.00 H new ATOM 0 HB THR A 50 6.292 -4.504 -2.068 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.545 -2.986 -3.718 1.00 0.00 H new ATOM 0 HG21 THR A 50 8.428 -4.997 -3.221 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.320 -6.389 -3.250 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.529 -5.387 -4.706 1.00 0.00 H new ATOM 650 N CYS A 51 4.598 -7.306 -3.720 1.00 0.00 N ATOM 651 CA CYS A 51 4.145 -8.638 -3.301 1.00 0.00 C ATOM 652 C CYS A 51 5.114 -9.716 -3.791 1.00 0.00 C ATOM 653 O CYS A 51 5.948 -9.476 -4.675 1.00 0.00 O ATOM 654 CB CYS A 51 2.728 -8.901 -3.849 1.00 0.00 C ATOM 655 SG CYS A 51 2.022 -10.494 -3.380 1.00 0.00 S ATOM 0 H CYS A 51 4.990 -7.295 -4.662 1.00 0.00 H new ATOM 0 HA CYS A 51 4.119 -8.675 -2.212 1.00 0.00 H new ATOM 0 HB2 CYS A 51 2.066 -8.109 -3.501 1.00 0.00 H new ATOM 0 HB3 CYS A 51 2.756 -8.838 -4.937 1.00 0.00 H new ATOM 0 HG CYS A 51 0.828 -10.315 -2.898 1.00 0.00 H new ATOM 661 N ARG A 52 4.996 -10.900 -3.179 1.00 0.00 N ATOM 662 CA ARG A 52 5.765 -12.099 -3.551 1.00 0.00 C ATOM 663 C ARG A 52 5.210 -12.751 -4.837 1.00 0.00 C ATOM 664 O ARG A 52 5.912 -13.516 -5.504 1.00 0.00 O ATOM 665 CB ARG A 52 5.724 -13.122 -2.386 1.00 0.00 C ATOM 666 CG ARG A 52 4.294 -13.526 -1.950 1.00 0.00 C ATOM 667 CD ARG A 52 4.279 -14.621 -0.873 1.00 0.00 C ATOM 668 NE ARG A 52 4.916 -15.874 -1.334 1.00 0.00 N ATOM 669 CZ ARG A 52 4.356 -16.784 -2.155 1.00 0.00 C ATOM 670 NH1 ARG A 52 3.142 -16.604 -2.668 1.00 0.00 N ATOM 671 NH2 ARG A 52 5.028 -17.882 -2.464 1.00 0.00 N ATOM 0 H ARG A 52 4.356 -11.057 -2.401 1.00 0.00 H new ATOM 0 HA ARG A 52 6.794 -11.796 -3.745 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.268 -14.018 -2.684 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.249 -12.701 -1.528 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.774 -12.646 -1.572 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.740 -13.874 -2.822 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.796 -14.260 0.016 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.249 -14.826 -0.582 1.00 0.00 H new ATOM 0 HE ARG A 52 5.861 -16.066 -1.002 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.613 -15.762 -2.442 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.740 -17.308 -3.287 1.00 0.00 H new ATOM 0 HH21 ARG A 52 5.961 -18.033 -2.081 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.612 -18.577 -3.085 1.00 0.00 H new ATOM 685 N GLN A 53 3.939 -12.447 -5.155 1.00 0.00 N ATOM 686 CA GLN A 53 3.209 -13.011 -6.303 1.00 0.00 C ATOM 687 C GLN A 53 2.823 -11.881 -7.277 1.00 0.00 C ATOM 688 O GLN A 53 2.061 -10.984 -6.912 1.00 0.00 O ATOM 689 CB GLN A 53 1.946 -13.769 -5.794 1.00 0.00 C ATOM 690 CG GLN A 53 1.000 -14.304 -6.888 1.00 0.00 C ATOM 691 CD GLN A 53 1.661 -15.275 -7.867 1.00 0.00 C ATOM 692 OE1 GLN A 53 2.199 -14.864 -8.896 1.00 0.00 O ATOM 693 NE2 GLN A 53 1.617 -16.563 -7.560 1.00 0.00 N ATOM 0 H GLN A 53 3.380 -11.790 -4.610 1.00 0.00 H new ATOM 0 HA GLN A 53 3.844 -13.719 -6.836 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.272 -14.608 -5.179 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.380 -13.100 -5.146 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.157 -14.804 -6.411 1.00 0.00 H new ATOM 0 HG3 GLN A 53 0.596 -13.460 -7.447 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.163 -16.867 -6.699 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.037 -17.251 -8.185 1.00 0.00 H new ATOM 702 N LYS A 54 3.381 -11.944 -8.502 1.00 0.00 N ATOM 703 CA LYS A 54 3.112 -10.973 -9.590 1.00 0.00 C ATOM 704 C LYS A 54 1.615 -10.899 -9.932 1.00 0.00 C ATOM 705 O LYS A 54 1.112 -9.832 -10.267 1.00 0.00 O ATOM 706 CB LYS A 54 3.943 -11.337 -10.847 1.00 0.00 C ATOM 707 CG LYS A 54 3.897 -10.292 -11.987 1.00 0.00 C ATOM 708 CD LYS A 54 4.775 -10.686 -13.196 1.00 0.00 C ATOM 709 CE LYS A 54 4.735 -9.632 -14.318 1.00 0.00 C ATOM 710 NZ LYS A 54 3.368 -9.473 -14.881 1.00 0.00 N ATOM 0 H LYS A 54 4.038 -12.676 -8.770 1.00 0.00 H new ATOM 0 HA LYS A 54 3.413 -9.986 -9.239 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.981 -11.481 -10.548 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.588 -12.292 -11.235 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.866 -10.167 -12.318 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.228 -9.327 -11.603 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.805 -10.822 -12.865 1.00 0.00 H new ATOM 0 HD3 LYS A 54 4.438 -11.645 -13.590 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.081 -8.674 -13.929 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.423 -9.921 -15.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.410 -8.872 -15.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.987 -10.406 -15.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.750 -9.029 -14.172 1.00 0.00 H new ATOM 724 N ALA A 55 0.931 -12.050 -9.834 1.00 0.00 N ATOM 725 CA ALA A 55 -0.527 -12.149 -10.055 1.00 0.00 C ATOM 726 C ALA A 55 -1.332 -11.219 -9.105 1.00 0.00 C ATOM 727 O ALA A 55 -2.338 -10.638 -9.517 1.00 0.00 O ATOM 728 CB ALA A 55 -0.990 -13.606 -9.925 1.00 0.00 C ATOM 0 H ALA A 55 1.370 -12.940 -9.599 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.727 -11.808 -11.071 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.066 -13.662 -10.090 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.477 -14.218 -10.666 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.757 -13.974 -8.926 1.00 0.00 H new ATOM 734 N SER A 56 -0.854 -11.055 -7.852 1.00 0.00 N ATOM 735 CA SER A 56 -1.534 -10.214 -6.838 1.00 0.00 C ATOM 736 C SER A 56 -1.609 -8.736 -7.292 1.00 0.00 C ATOM 737 O SER A 56 -2.700 -8.161 -7.394 1.00 0.00 O ATOM 738 CB SER A 56 -0.809 -10.329 -5.478 1.00 0.00 C ATOM 739 OG SER A 56 -1.492 -9.621 -4.446 1.00 0.00 O ATOM 0 H SER A 56 0.003 -11.495 -7.516 1.00 0.00 H new ATOM 0 HA SER A 56 -2.555 -10.578 -6.725 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.723 -11.380 -5.201 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.205 -9.941 -5.574 1.00 0.00 H new ATOM 0 HG SER A 56 -1.003 -9.720 -3.603 1.00 0.00 H new ATOM 745 N LEU A 57 -0.446 -8.153 -7.612 1.00 0.00 N ATOM 746 CA LEU A 57 -0.346 -6.758 -8.087 1.00 0.00 C ATOM 747 C LEU A 57 -0.901 -6.602 -9.511 1.00 0.00 C ATOM 748 O LEU A 57 -1.299 -5.504 -9.891 1.00 0.00 O ATOM 749 CB LEU A 57 1.110 -6.230 -8.015 1.00 0.00 C ATOM 750 CG LEU A 57 2.227 -7.179 -8.583 1.00 0.00 C ATOM 751 CD1 LEU A 57 3.266 -6.416 -9.411 1.00 0.00 C ATOM 752 CD2 LEU A 57 2.915 -7.964 -7.445 1.00 0.00 C ATOM 0 H LEU A 57 0.453 -8.631 -7.551 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.958 -6.155 -7.416 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.158 -5.285 -8.556 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.344 -6.013 -6.973 1.00 0.00 H new ATOM 0 HG LEU A 57 1.734 -7.887 -9.249 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.018 -7.112 -9.783 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.774 -5.929 -10.253 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.747 -5.663 -8.787 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.684 -8.613 -7.864 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.373 -7.265 -6.745 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.175 -8.569 -6.921 1.00 0.00 H new ATOM 764 N ASN A 58 -0.839 -7.682 -10.304 1.00 0.00 N ATOM 765 CA ASN A 58 -1.489 -7.765 -11.634 1.00 0.00 C ATOM 766 C ASN A 58 -2.982 -7.402 -11.580 1.00 0.00 C ATOM 767 O ASN A 58 -3.460 -6.628 -12.423 1.00 0.00 O ATOM 768 CB ASN A 58 -1.291 -9.180 -12.244 1.00 0.00 C ATOM 769 CG ASN A 58 -2.117 -9.463 -13.511 1.00 0.00 C ATOM 770 OD1 ASN A 58 -1.711 -9.132 -14.624 1.00 0.00 O ATOM 771 ND2 ASN A 58 -3.275 -10.097 -13.342 1.00 0.00 N ATOM 0 H ASN A 58 -0.335 -8.530 -10.045 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.007 -7.028 -12.276 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.235 -9.313 -12.479 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -1.545 -9.924 -11.489 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.855 -10.323 -14.150 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.582 -10.357 -12.405 1.00 0.00 H new ATOM 778 N TRP A 59 -3.706 -7.919 -10.571 1.00 0.00 N ATOM 779 CA TRP A 59 -5.159 -7.685 -10.447 1.00 0.00 C ATOM 780 C TRP A 59 -5.391 -6.269 -9.911 1.00 0.00 C ATOM 781 O TRP A 59 -6.262 -5.561 -10.394 1.00 0.00 O ATOM 782 CB TRP A 59 -5.830 -8.721 -9.517 1.00 0.00 C ATOM 783 CG TRP A 59 -5.715 -10.158 -9.983 1.00 0.00 C ATOM 784 CD1 TRP A 59 -5.261 -11.223 -9.251 1.00 0.00 C ATOM 785 CD2 TRP A 59 -6.069 -10.690 -11.278 1.00 0.00 C ATOM 786 NE1 TRP A 59 -5.308 -12.363 -9.999 1.00 0.00 N ATOM 787 CE2 TRP A 59 -5.806 -12.070 -11.238 1.00 0.00 C ATOM 788 CE3 TRP A 59 -6.596 -10.140 -12.458 1.00 0.00 C ATOM 789 CZ2 TRP A 59 -6.034 -12.901 -12.332 1.00 0.00 C ATOM 790 CZ3 TRP A 59 -6.823 -10.967 -13.542 1.00 0.00 C ATOM 791 CH2 TRP A 59 -6.550 -12.334 -13.468 1.00 0.00 C ATOM 0 H TRP A 59 -3.312 -8.500 -9.831 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.611 -7.794 -11.433 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -5.387 -8.639 -8.524 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.886 -8.469 -9.417 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.916 -11.168 -8.229 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -5.017 -13.288 -9.683 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -6.821 -9.085 -12.518 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -5.812 -13.957 -12.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -7.216 -10.550 -14.457 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -6.750 -12.959 -14.326 1.00 0.00 H new ATOM 802 N HIS A 60 -4.622 -5.910 -8.865 1.00 0.00 N ATOM 803 CA HIS A 60 -4.506 -4.522 -8.363 1.00 0.00 C ATOM 804 C HIS A 60 -4.298 -3.458 -9.499 1.00 0.00 C ATOM 805 O HIS A 60 -4.877 -2.374 -9.432 1.00 0.00 O ATOM 806 CB HIS A 60 -3.364 -4.485 -7.301 1.00 0.00 C ATOM 807 CG HIS A 60 -2.873 -3.126 -6.905 1.00 0.00 C ATOM 808 ND1 HIS A 60 -3.529 -2.247 -6.086 1.00 0.00 N ATOM 809 CD2 HIS A 60 -1.753 -2.505 -7.291 1.00 0.00 C ATOM 810 CE1 HIS A 60 -2.788 -1.131 -6.015 1.00 0.00 C ATOM 811 NE2 HIS A 60 -1.684 -1.230 -6.746 1.00 0.00 N ATOM 0 H HIS A 60 -4.059 -6.578 -8.339 1.00 0.00 H new ATOM 0 HA HIS A 60 -5.453 -4.238 -7.903 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -3.713 -4.998 -6.405 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.519 -5.056 -7.686 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.004 -2.937 -7.939 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -3.056 -0.260 -5.435 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -0.953 -0.530 -6.877 1.00 0.00 H new ATOM 819 N MET A 61 -3.470 -3.750 -10.523 1.00 0.00 N ATOM 820 CA MET A 61 -3.304 -2.851 -11.698 1.00 0.00 C ATOM 821 C MET A 61 -4.539 -2.849 -12.623 1.00 0.00 C ATOM 822 O MET A 61 -4.894 -1.807 -13.182 1.00 0.00 O ATOM 823 CB MET A 61 -2.001 -3.176 -12.477 1.00 0.00 C ATOM 824 CG MET A 61 -0.718 -2.858 -11.689 1.00 0.00 C ATOM 825 SD MET A 61 0.791 -3.051 -12.659 1.00 0.00 S ATOM 826 CE MET A 61 0.680 -4.767 -13.174 1.00 0.00 C ATOM 0 H MET A 61 -2.904 -4.598 -10.566 1.00 0.00 H new ATOM 0 HA MET A 61 -3.213 -1.837 -11.308 1.00 0.00 H new ATOM 0 HB2 MET A 61 -2.001 -4.233 -12.744 1.00 0.00 H new ATOM 0 HB3 MET A 61 -1.994 -2.611 -13.409 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.773 -1.834 -11.318 1.00 0.00 H new ATOM 0 HG3 MET A 61 -0.666 -3.510 -10.817 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.597 -5.052 -13.690 1.00 0.00 H new ATOM 0 HE2 MET A 61 0.544 -5.402 -12.298 1.00 0.00 H new ATOM 0 HE3 MET A 61 -0.168 -4.891 -13.847 1.00 0.00 H new ATOM 836 N LYS A 62 -5.179 -4.020 -12.797 1.00 0.00 N ATOM 837 CA LYS A 62 -6.510 -4.115 -13.456 1.00 0.00 C ATOM 838 C LYS A 62 -7.565 -3.227 -12.729 1.00 0.00 C ATOM 839 O LYS A 62 -8.471 -2.667 -13.359 1.00 0.00 O ATOM 840 CB LYS A 62 -6.983 -5.594 -13.507 1.00 0.00 C ATOM 841 CG LYS A 62 -8.339 -5.812 -14.216 1.00 0.00 C ATOM 842 CD LYS A 62 -8.855 -7.271 -14.128 1.00 0.00 C ATOM 843 CE LYS A 62 -9.217 -7.711 -12.698 1.00 0.00 C ATOM 844 NZ LYS A 62 -10.290 -6.881 -12.109 1.00 0.00 N ATOM 0 H LYS A 62 -4.802 -4.918 -12.493 1.00 0.00 H new ATOM 0 HA LYS A 62 -6.409 -3.744 -14.476 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.223 -6.187 -14.015 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.056 -5.974 -12.488 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.081 -5.145 -13.777 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -8.241 -5.532 -15.265 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.733 -7.376 -14.765 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -8.092 -7.942 -14.524 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.533 -8.754 -12.710 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.330 -7.654 -12.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.605 -7.305 -11.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.929 -5.922 -11.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.092 -6.831 -12.769 1.00 0.00 H new ATOM 858 N LYS A 63 -7.400 -3.093 -11.404 1.00 0.00 N ATOM 859 CA LYS A 63 -8.261 -2.226 -10.571 1.00 0.00 C ATOM 860 C LYS A 63 -8.024 -0.743 -10.916 1.00 0.00 C ATOM 861 O LYS A 63 -8.989 0.011 -11.067 1.00 0.00 O ATOM 862 CB LYS A 63 -8.062 -2.498 -9.061 1.00 0.00 C ATOM 863 CG LYS A 63 -8.440 -3.929 -8.630 1.00 0.00 C ATOM 864 CD LYS A 63 -8.337 -4.144 -7.106 1.00 0.00 C ATOM 865 CE LYS A 63 -8.705 -5.581 -6.690 1.00 0.00 C ATOM 866 NZ LYS A 63 -8.696 -5.746 -5.217 1.00 0.00 N ATOM 0 H LYS A 63 -6.672 -3.577 -10.879 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.300 -2.467 -10.798 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.019 -2.315 -8.803 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.661 -1.787 -8.492 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.458 -4.144 -8.954 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.788 -4.640 -9.137 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.321 -3.923 -6.778 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.997 -3.441 -6.597 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.693 -5.830 -7.078 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.000 -6.281 -7.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.948 -6.726 -4.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.747 -5.533 -4.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.387 -5.096 -4.791 1.00 0.00 H new ATOM 880 N HIS A 64 -6.732 -0.359 -11.098 1.00 0.00 N ATOM 881 CA HIS A 64 -6.344 0.985 -11.612 1.00 0.00 C ATOM 882 C HIS A 64 -6.984 1.268 -12.980 1.00 0.00 C ATOM 883 O HIS A 64 -7.403 2.399 -13.256 1.00 0.00 O ATOM 884 CB HIS A 64 -4.807 1.133 -11.796 1.00 0.00 C ATOM 885 CG HIS A 64 -3.996 1.244 -10.547 1.00 0.00 C ATOM 886 ND1 HIS A 64 -2.942 0.514 -10.138 1.00 0.00 N flip ATOM 887 CD2 HIS A 64 -4.114 2.275 -9.647 1.00 0.00 C flip ATOM 888 CE1 HIS A 64 -2.399 1.100 -9.022 1.00 0.00 C flip ATOM 889 NE2 HIS A 64 -3.134 2.155 -8.758 1.00 0.00 N flip ATOM 0 H HIS A 64 -5.937 -0.965 -10.895 1.00 0.00 H new ATOM 0 HA HIS A 64 -6.697 1.690 -10.860 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -4.447 0.274 -12.362 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.619 2.017 -12.405 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.870 3.047 -9.660 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.536 0.760 -8.469 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -2.975 2.794 -7.979 1.00 0.00 H new ATOM 1020 N SER A 73 -7.908 12.223 -9.735 1.00 0.00 N ATOM 1021 CA SER A 73 -6.535 12.534 -10.079 1.00 0.00 C ATOM 1022 C SER A 73 -6.344 14.005 -9.780 1.00 0.00 C ATOM 1023 O SER A 73 -7.114 14.842 -10.270 1.00 0.00 O ATOM 1024 CB SER A 73 -6.243 12.219 -11.570 1.00 0.00 C ATOM 1025 OG SER A 73 -7.114 12.921 -12.445 1.00 0.00 O ATOM 0 HA SER A 73 -5.840 11.925 -9.501 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.210 12.481 -11.800 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.345 11.147 -11.740 1.00 0.00 H new ATOM 0 HG SER A 73 -7.393 13.761 -12.024 1.00 0.00 H new ATOM 1031 N CYS A 74 -5.365 14.316 -8.940 1.00 0.00 N ATOM 1032 CA CYS A 74 -4.976 15.703 -8.698 1.00 0.00 C ATOM 1033 C CYS A 74 -4.353 16.260 -9.984 1.00 0.00 C ATOM 1034 O CYS A 74 -3.330 15.764 -10.440 1.00 0.00 O ATOM 1035 CB CYS A 74 -4.004 15.831 -7.513 1.00 0.00 C ATOM 1036 SG CYS A 74 -3.365 17.519 -7.292 1.00 0.00 S ATOM 0 H CYS A 74 -4.825 13.629 -8.414 1.00 0.00 H new ATOM 0 HA CYS A 74 -5.861 16.280 -8.430 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -4.511 15.519 -6.600 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -3.167 15.149 -7.662 1.00 0.00 H new ATOM 0 HG CYS A 74 -3.019 17.693 -6.051 1.00 0.00 H new ATOM 1041 N ASN A 75 -5.006 17.261 -10.581 1.00 0.00 N ATOM 1042 CA ASN A 75 -4.583 17.848 -11.872 1.00 0.00 C ATOM 1043 C ASN A 75 -3.168 18.470 -11.782 1.00 0.00 C ATOM 1044 O ASN A 75 -2.508 18.666 -12.803 1.00 0.00 O ATOM 1045 CB ASN A 75 -5.614 18.918 -12.336 1.00 0.00 C ATOM 1046 CG ASN A 75 -7.061 18.423 -12.450 1.00 0.00 C ATOM 1047 OD1 ASN A 75 -7.500 17.520 -11.733 1.00 0.00 O ATOM 1048 ND2 ASN A 75 -7.829 19.048 -13.329 1.00 0.00 N ATOM 0 H ASN A 75 -5.843 17.693 -10.190 1.00 0.00 H new ATOM 0 HA ASN A 75 -4.543 17.044 -12.607 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -5.587 19.753 -11.636 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -5.301 19.304 -13.306 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -8.810 18.786 -13.426 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -7.440 19.791 -13.909 1.00 0.00 H new ATOM 1055 N ILE A 76 -2.710 18.758 -10.542 1.00 0.00 N ATOM 1056 CA ILE A 76 -1.434 19.438 -10.284 1.00 0.00 C ATOM 1057 C ILE A 76 -0.284 18.433 -9.981 1.00 0.00 C ATOM 1058 O ILE A 76 0.825 18.621 -10.494 1.00 0.00 O ATOM 1059 CB ILE A 76 -1.593 20.485 -9.113 1.00 0.00 C ATOM 1060 CG1 ILE A 76 -2.883 21.357 -9.340 1.00 0.00 C ATOM 1061 CG2 ILE A 76 -0.330 21.373 -8.976 1.00 0.00 C ATOM 1062 CD1 ILE A 76 -3.022 22.597 -8.478 1.00 0.00 C ATOM 0 H ILE A 76 -3.223 18.521 -9.693 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.158 19.971 -11.194 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.705 19.940 -8.176 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.908 21.664 -10.386 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.755 20.725 -9.172 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.471 22.083 -8.161 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.535 20.745 -8.764 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.165 21.916 -9.906 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.950 23.112 -8.728 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.039 22.309 -7.427 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.178 23.262 -8.659 1.00 0.00 H new ATOM 1074 N CYS A 77 -0.522 17.366 -9.153 1.00 0.00 N ATOM 1075 CA CYS A 77 0.569 16.418 -8.780 1.00 0.00 C ATOM 1076 C CYS A 77 0.142 14.934 -8.861 1.00 0.00 C ATOM 1077 O CYS A 77 0.984 14.047 -8.674 1.00 0.00 O ATOM 1078 CB CYS A 77 1.142 16.756 -7.378 1.00 0.00 C ATOM 1079 SG CYS A 77 0.044 16.373 -5.973 1.00 0.00 S ATOM 0 H CYS A 77 -1.431 17.149 -8.745 1.00 0.00 H new ATOM 0 HA CYS A 77 1.356 16.550 -9.522 1.00 0.00 H new ATOM 0 HB2 CYS A 77 2.077 16.212 -7.245 1.00 0.00 H new ATOM 0 HB3 CYS A 77 1.384 17.818 -7.349 1.00 0.00 H new ATOM 0 HG CYS A 77 -1.179 16.693 -6.278 1.00 0.00 H new ATOM 1084 N GLY A 78 -1.156 14.674 -9.144 1.00 0.00 N ATOM 1085 CA GLY A 78 -1.681 13.313 -9.326 1.00 0.00 C ATOM 1086 C GLY A 78 -1.523 12.422 -8.100 1.00 0.00 C ATOM 1087 O GLY A 78 -1.331 11.218 -8.225 1.00 0.00 O ATOM 0 H GLY A 78 -1.861 15.403 -9.251 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.738 13.373 -9.586 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.172 12.847 -10.170 1.00 0.00 H new ATOM 1091 N LYS A 79 -1.593 13.047 -6.906 1.00 0.00 N ATOM 1092 CA LYS A 79 -1.259 12.395 -5.627 1.00 0.00 C ATOM 1093 C LYS A 79 -2.291 11.306 -5.192 1.00 0.00 C ATOM 1094 O LYS A 79 -1.991 10.518 -4.297 1.00 0.00 O ATOM 1095 CB LYS A 79 -1.075 13.485 -4.536 1.00 0.00 C ATOM 1096 CG LYS A 79 -0.339 12.993 -3.285 1.00 0.00 C ATOM 1097 CD LYS A 79 -0.162 14.074 -2.202 1.00 0.00 C ATOM 1098 CE LYS A 79 0.536 13.515 -0.950 1.00 0.00 C ATOM 1099 NZ LYS A 79 -0.223 12.387 -0.335 1.00 0.00 N ATOM 0 H LYS A 79 -1.883 14.019 -6.804 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.324 11.851 -5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.525 14.323 -4.963 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.055 13.862 -4.244 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.887 12.152 -2.860 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.643 12.619 -3.576 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.422 14.901 -2.605 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.137 14.476 -1.926 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.537 13.174 -1.216 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.655 14.312 -0.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.157 12.189 0.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.227 12.645 -0.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.128 11.539 -0.930 1.00 0.00 H new ATOM 1113 N LYS A 80 -3.507 11.303 -5.817 1.00 0.00 N ATOM 1114 CA LYS A 80 -4.498 10.191 -5.733 1.00 0.00 C ATOM 1115 C LYS A 80 -5.240 10.183 -4.385 1.00 0.00 C ATOM 1116 O LYS A 80 -4.626 9.951 -3.339 1.00 0.00 O ATOM 1117 CB LYS A 80 -3.836 8.803 -6.001 1.00 0.00 C ATOM 1118 CG LYS A 80 -3.149 8.670 -7.383 1.00 0.00 C ATOM 1119 CD LYS A 80 -4.138 8.790 -8.554 1.00 0.00 C ATOM 1120 CE LYS A 80 -5.231 7.721 -8.462 1.00 0.00 C ATOM 1121 NZ LYS A 80 -6.146 7.771 -9.584 1.00 0.00 N ATOM 0 H LYS A 80 -3.826 12.079 -6.397 1.00 0.00 H new ATOM 0 HA LYS A 80 -5.232 10.372 -6.518 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.097 8.612 -5.223 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.598 8.029 -5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.384 9.441 -7.479 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.641 7.707 -7.440 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.592 9.781 -8.551 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.603 8.688 -9.498 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.769 6.735 -8.417 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.789 7.854 -7.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.867 7.029 -9.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.609 8.702 -9.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.620 7.618 -10.468 1.00 0.00 H new ATOM 1135 N PHE A 81 -6.561 10.474 -4.423 1.00 0.00 N ATOM 1136 CA PHE A 81 -7.414 10.604 -3.204 1.00 0.00 C ATOM 1137 C PHE A 81 -8.741 9.850 -3.353 1.00 0.00 C ATOM 1138 O PHE A 81 -9.293 9.753 -4.448 1.00 0.00 O ATOM 1139 CB PHE A 81 -7.679 12.098 -2.882 1.00 0.00 C ATOM 1140 CG PHE A 81 -6.397 12.860 -2.589 1.00 0.00 C ATOM 1141 CD1 PHE A 81 -5.887 12.928 -1.296 1.00 0.00 C ATOM 1142 CD2 PHE A 81 -5.663 13.440 -3.622 1.00 0.00 C ATOM 1143 CE1 PHE A 81 -4.689 13.554 -1.046 1.00 0.00 C ATOM 1144 CE2 PHE A 81 -4.475 14.068 -3.366 1.00 0.00 C ATOM 1145 CZ PHE A 81 -3.987 14.120 -2.077 1.00 0.00 C ATOM 0 H PHE A 81 -7.070 10.626 -5.293 1.00 0.00 H new ATOM 0 HA PHE A 81 -6.868 10.153 -2.375 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.192 12.564 -3.724 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -8.346 12.170 -2.023 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.438 12.484 -0.480 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -6.036 13.393 -4.635 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -4.302 13.599 -0.039 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.919 14.523 -4.173 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.045 14.610 -1.879 1.00 0.00 H new ATOM 1155 N GLU A 82 -9.242 9.354 -2.214 1.00 0.00 N ATOM 1156 CA GLU A 82 -10.433 8.489 -2.122 1.00 0.00 C ATOM 1157 C GLU A 82 -11.757 9.205 -2.493 1.00 0.00 C ATOM 1158 O GLU A 82 -12.754 8.539 -2.783 1.00 0.00 O ATOM 1159 CB GLU A 82 -10.486 7.920 -0.683 1.00 0.00 C ATOM 1160 CG GLU A 82 -9.222 7.117 -0.290 1.00 0.00 C ATOM 1161 CD GLU A 82 -9.142 6.778 1.206 1.00 0.00 C ATOM 1162 OE1 GLU A 82 -9.943 5.940 1.682 1.00 0.00 O ATOM 1163 OE2 GLU A 82 -8.279 7.341 1.914 1.00 0.00 O ATOM 0 H GLU A 82 -8.821 9.547 -1.305 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.338 7.691 -2.858 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.617 8.743 0.020 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -11.360 7.276 -0.587 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -9.198 6.191 -0.864 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -8.338 7.689 -0.571 1.00 0.00 H new ATOM 1170 N LYS A 83 -11.765 10.554 -2.478 1.00 0.00 N ATOM 1171 CA LYS A 83 -12.923 11.357 -2.870 1.00 0.00 C ATOM 1172 C LYS A 83 -12.431 12.628 -3.565 1.00 0.00 C ATOM 1173 O LYS A 83 -11.346 13.130 -3.253 1.00 0.00 O ATOM 1174 CB LYS A 83 -13.846 11.679 -1.649 1.00 0.00 C ATOM 1175 CG LYS A 83 -13.144 12.314 -0.432 1.00 0.00 C ATOM 1176 CD LYS A 83 -14.100 12.685 0.738 1.00 0.00 C ATOM 1177 CE LYS A 83 -14.626 11.483 1.559 1.00 0.00 C ATOM 1178 NZ LYS A 83 -15.573 10.616 0.818 1.00 0.00 N ATOM 0 H LYS A 83 -10.961 11.112 -2.191 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.536 10.785 -3.567 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -14.637 12.352 -1.982 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -14.328 10.756 -1.327 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -12.388 11.622 -0.062 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.621 13.213 -0.757 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.579 13.365 1.411 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -14.953 13.229 0.332 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.778 10.881 1.887 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -15.118 11.857 2.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -16.324 10.293 1.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -15.995 11.154 0.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.065 9.792 0.438 1.00 0.00 H new ATOM 1192 N LYS A 84 -13.229 13.119 -4.518 1.00 0.00 N ATOM 1193 CA LYS A 84 -12.925 14.338 -5.291 1.00 0.00 C ATOM 1194 C LYS A 84 -12.904 15.565 -4.365 1.00 0.00 C ATOM 1195 O LYS A 84 -12.172 16.524 -4.607 1.00 0.00 O ATOM 1196 CB LYS A 84 -13.952 14.505 -6.447 1.00 0.00 C ATOM 1197 CG LYS A 84 -15.419 14.727 -6.000 1.00 0.00 C ATOM 1198 CD LYS A 84 -16.423 14.751 -7.179 1.00 0.00 C ATOM 1199 CE LYS A 84 -16.516 13.395 -7.913 1.00 0.00 C ATOM 1200 NZ LYS A 84 -17.534 13.408 -8.992 1.00 0.00 N ATOM 0 H LYS A 84 -14.112 12.682 -4.781 1.00 0.00 H new ATOM 0 HA LYS A 84 -11.934 14.246 -5.736 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.646 15.349 -7.065 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.912 13.617 -7.078 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.703 13.936 -5.306 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -15.487 15.669 -5.455 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -17.409 15.025 -6.805 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -16.125 15.523 -7.888 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.543 13.146 -8.337 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -16.760 12.612 -7.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -17.560 12.477 -9.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -18.468 13.619 -8.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -17.289 14.137 -9.692 1.00 0.00 H new ATOM 1214 N ASP A 85 -13.716 15.490 -3.296 1.00 0.00 N ATOM 1215 CA ASP A 85 -13.706 16.456 -2.189 1.00 0.00 C ATOM 1216 C ASP A 85 -12.314 16.561 -1.554 1.00 0.00 C ATOM 1217 O ASP A 85 -11.848 17.657 -1.261 1.00 0.00 O ATOM 1218 CB ASP A 85 -14.752 16.044 -1.127 1.00 0.00 C ATOM 1219 CG ASP A 85 -14.749 16.932 0.134 1.00 0.00 C ATOM 1220 OD1 ASP A 85 -15.125 18.118 0.032 1.00 0.00 O ATOM 1221 OD2 ASP A 85 -14.368 16.447 1.225 1.00 0.00 O ATOM 0 H ASP A 85 -14.405 14.747 -3.177 1.00 0.00 H new ATOM 0 HA ASP A 85 -13.964 17.437 -2.587 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -15.744 16.074 -1.578 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -14.568 15.011 -0.832 1.00 0.00 H new ATOM 1226 N SER A 86 -11.648 15.404 -1.376 1.00 0.00 N ATOM 1227 CA SER A 86 -10.314 15.337 -0.775 1.00 0.00 C ATOM 1228 C SER A 86 -9.259 15.955 -1.708 1.00 0.00 C ATOM 1229 O SER A 86 -8.286 16.514 -1.236 1.00 0.00 O ATOM 1230 CB SER A 86 -9.937 13.886 -0.432 1.00 0.00 C ATOM 1231 OG SER A 86 -8.656 13.797 0.173 1.00 0.00 O ATOM 0 H SER A 86 -12.024 14.495 -1.646 1.00 0.00 H new ATOM 0 HA SER A 86 -10.338 15.914 0.149 1.00 0.00 H new ATOM 0 HB2 SER A 86 -10.685 13.467 0.241 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.951 13.284 -1.340 1.00 0.00 H new ATOM 0 HG SER A 86 -7.980 13.627 -0.516 1.00 0.00 H new ATOM 1237 N VAL A 87 -9.493 15.865 -3.031 1.00 0.00 N ATOM 1238 CA VAL A 87 -8.548 16.341 -4.068 1.00 0.00 C ATOM 1239 C VAL A 87 -8.543 17.881 -4.100 1.00 0.00 C ATOM 1240 O VAL A 87 -7.485 18.519 -4.161 1.00 0.00 O ATOM 1241 CB VAL A 87 -8.929 15.790 -5.498 1.00 0.00 C ATOM 1242 CG1 VAL A 87 -7.949 16.299 -6.585 1.00 0.00 C ATOM 1243 CG2 VAL A 87 -9.008 14.246 -5.512 1.00 0.00 C ATOM 0 H VAL A 87 -10.346 15.459 -3.416 1.00 0.00 H new ATOM 0 HA VAL A 87 -7.556 15.968 -3.812 1.00 0.00 H new ATOM 0 HB VAL A 87 -9.920 16.177 -5.733 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -8.243 15.899 -7.556 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -7.976 17.388 -6.618 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -6.938 15.968 -6.347 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -9.272 13.904 -6.513 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.041 13.830 -5.230 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.766 13.914 -4.803 1.00 0.00 H new ATOM 1253 N VAL A 88 -9.759 18.434 -4.049 1.00 0.00 N ATOM 1254 CA VAL A 88 -10.029 19.880 -4.101 1.00 0.00 C ATOM 1255 C VAL A 88 -9.651 20.537 -2.765 1.00 0.00 C ATOM 1256 O VAL A 88 -9.125 21.658 -2.739 1.00 0.00 O ATOM 1257 CB VAL A 88 -11.539 20.155 -4.459 1.00 0.00 C ATOM 1258 CG1 VAL A 88 -11.855 21.674 -4.502 1.00 0.00 C ATOM 1259 CG2 VAL A 88 -11.894 19.484 -5.809 1.00 0.00 C ATOM 0 H VAL A 88 -10.608 17.875 -3.968 1.00 0.00 H new ATOM 0 HA VAL A 88 -9.416 20.321 -4.887 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.154 19.720 -3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -12.906 21.820 -4.752 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -11.649 22.116 -3.527 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -11.232 22.154 -5.257 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -12.939 19.679 -6.049 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -11.259 19.891 -6.596 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.734 18.408 -5.734 1.00 0.00 H new ATOM 1269 N ALA A 89 -9.897 19.796 -1.664 1.00 0.00 N ATOM 1270 CA ALA A 89 -9.492 20.209 -0.310 1.00 0.00 C ATOM 1271 C ALA A 89 -7.961 20.242 -0.237 1.00 0.00 C ATOM 1272 O ALA A 89 -7.366 21.169 0.314 1.00 0.00 O ATOM 1273 CB ALA A 89 -10.064 19.256 0.759 1.00 0.00 C ATOM 0 H ALA A 89 -10.380 18.898 -1.692 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.892 21.203 -0.107 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.748 19.587 1.748 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -11.153 19.261 0.706 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.696 18.246 0.580 1.00 0.00 H new ATOM 1279 N HIS A 90 -7.348 19.226 -0.870 1.00 0.00 N ATOM 1280 CA HIS A 90 -5.883 19.085 -0.976 1.00 0.00 C ATOM 1281 C HIS A 90 -5.299 20.156 -1.909 1.00 0.00 C ATOM 1282 O HIS A 90 -4.152 20.513 -1.776 1.00 0.00 O ATOM 1283 CB HIS A 90 -5.515 17.643 -1.444 1.00 0.00 C ATOM 1284 CG HIS A 90 -4.239 17.486 -2.226 1.00 0.00 C ATOM 1285 ND1 HIS A 90 -3.014 17.185 -1.679 1.00 0.00 N ATOM 1286 CD2 HIS A 90 -4.040 17.549 -3.564 1.00 0.00 C ATOM 1287 CE1 HIS A 90 -2.141 17.068 -2.680 1.00 0.00 C ATOM 1288 NE2 HIS A 90 -2.718 17.277 -3.847 1.00 0.00 N ATOM 0 H HIS A 90 -7.860 18.472 -1.327 1.00 0.00 H new ATOM 0 HA HIS A 90 -5.440 19.240 0.008 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -5.453 17.006 -0.562 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -6.335 17.264 -2.054 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -2.810 17.072 -0.686 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -4.800 17.777 -4.297 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -1.095 16.832 -2.551 1.00 0.00 H new ATOM 1296 N LYS A 91 -6.065 20.605 -2.894 1.00 0.00 N ATOM 1297 CA LYS A 91 -5.599 21.632 -3.844 1.00 0.00 C ATOM 1298 C LYS A 91 -5.529 23.001 -3.139 1.00 0.00 C ATOM 1299 O LYS A 91 -4.585 23.771 -3.322 1.00 0.00 O ATOM 1300 CB LYS A 91 -6.532 21.693 -5.076 1.00 0.00 C ATOM 1301 CG LYS A 91 -5.990 22.557 -6.236 1.00 0.00 C ATOM 1302 CD LYS A 91 -7.064 22.929 -7.278 1.00 0.00 C ATOM 1303 CE LYS A 91 -7.836 21.723 -7.843 1.00 0.00 C ATOM 1304 NZ LYS A 91 -8.785 22.140 -8.896 1.00 0.00 N ATOM 0 H LYS A 91 -7.016 20.279 -3.065 1.00 0.00 H new ATOM 0 HA LYS A 91 -4.601 21.368 -4.193 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.701 20.680 -5.440 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -7.500 22.086 -4.766 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.559 23.471 -5.827 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -5.183 22.019 -6.733 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -7.773 23.620 -6.822 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.587 23.460 -8.102 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -7.133 20.997 -8.251 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -8.377 21.225 -7.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -9.291 21.306 -9.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.470 22.815 -8.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.264 22.593 -9.674 1.00 0.00 H new ATOM 1318 N ALA A 92 -6.547 23.260 -2.312 1.00 0.00 N ATOM 1319 CA ALA A 92 -6.663 24.484 -1.511 1.00 0.00 C ATOM 1320 C ALA A 92 -5.615 24.522 -0.371 1.00 0.00 C ATOM 1321 O ALA A 92 -5.243 25.600 0.114 1.00 0.00 O ATOM 1322 CB ALA A 92 -8.094 24.590 -0.952 1.00 0.00 C ATOM 0 H ALA A 92 -7.326 22.615 -2.178 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.462 25.342 -2.152 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -8.185 25.498 -0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.805 24.624 -1.777 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -8.306 23.723 -0.327 1.00 0.00 H new ATOM 1328 N LYS A 93 -5.142 23.330 0.038 1.00 0.00 N ATOM 1329 CA LYS A 93 -4.232 23.145 1.177 1.00 0.00 C ATOM 1330 C LYS A 93 -2.754 23.000 0.724 1.00 0.00 C ATOM 1331 O LYS A 93 -1.869 23.717 1.209 1.00 0.00 O ATOM 1332 CB LYS A 93 -4.723 21.891 1.951 1.00 0.00 C ATOM 1333 CG LYS A 93 -3.735 21.305 2.962 1.00 0.00 C ATOM 1334 CD LYS A 93 -4.328 20.086 3.714 1.00 0.00 C ATOM 1335 CE LYS A 93 -3.299 19.368 4.602 1.00 0.00 C ATOM 1336 NZ LYS A 93 -3.886 18.207 5.310 1.00 0.00 N ATOM 0 H LYS A 93 -5.388 22.455 -0.424 1.00 0.00 H new ATOM 0 HA LYS A 93 -4.251 24.024 1.822 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -5.642 22.148 2.477 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -4.976 21.116 1.227 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.824 21.004 2.446 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -3.454 22.074 3.682 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.163 20.418 4.331 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.729 19.379 2.988 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.463 19.033 3.988 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.897 20.071 5.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.157 17.753 5.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.667 18.529 5.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.246 17.523 4.615 1.00 0.00 H new ATOM 1350 N SER A 94 -2.526 22.080 -0.223 1.00 0.00 N ATOM 1351 CA SER A 94 -1.189 21.622 -0.650 1.00 0.00 C ATOM 1352 C SER A 94 -0.677 22.430 -1.846 1.00 0.00 C ATOM 1353 O SER A 94 0.513 22.376 -2.167 1.00 0.00 O ATOM 1354 CB SER A 94 -1.235 20.110 -1.011 1.00 0.00 C ATOM 1355 OG SER A 94 0.008 19.621 -1.489 1.00 0.00 O ATOM 0 H SER A 94 -3.283 21.620 -0.729 1.00 0.00 H new ATOM 0 HA SER A 94 -0.500 21.776 0.180 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.530 19.540 -0.130 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.001 19.945 -1.769 1.00 0.00 H new ATOM 0 HG SER A 94 0.542 20.367 -1.834 1.00 0.00 H new ATOM 1361 N HIS A 95 -1.579 23.193 -2.502 1.00 0.00 N ATOM 1362 CA HIS A 95 -1.225 24.026 -3.673 1.00 0.00 C ATOM 1363 C HIS A 95 -1.778 25.472 -3.515 1.00 0.00 C ATOM 1364 O HIS A 95 -2.517 25.942 -4.387 1.00 0.00 O ATOM 1365 CB HIS A 95 -1.765 23.365 -4.976 1.00 0.00 C ATOM 1366 CG HIS A 95 -1.314 21.952 -5.206 1.00 0.00 C ATOM 1367 ND1 HIS A 95 -0.001 21.540 -5.181 1.00 0.00 N ATOM 1368 CD2 HIS A 95 -2.043 20.845 -5.470 1.00 0.00 C ATOM 1369 CE1 HIS A 95 0.018 20.230 -5.430 1.00 0.00 C ATOM 1370 NE2 HIS A 95 -1.196 19.764 -5.613 1.00 0.00 N ATOM 0 H HIS A 95 -2.563 23.249 -2.239 1.00 0.00 H new ATOM 0 HA HIS A 95 -0.139 24.093 -3.738 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.855 23.383 -4.950 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -1.457 23.972 -5.828 1.00 0.00 H new ATOM 0 HD1 HIS A 95 0.812 22.131 -5.004 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.119 20.811 -5.556 1.00 0.00 H new ATOM 0 HE1 HIS A 95 0.915 19.630 -5.475 1.00 0.00 H new