USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 876 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 67 ASN : amide:sc= -9.17! C(o=-9.3!,f=-9.4!) USER MOD Set 1.2: A 70 THR OG1 : rot -34:sc= -0.13 USER MOD Set 2.1: A 59 LYS NZ :NH3+ -145:sc= -1.83! (180deg=-4.53!) USER MOD Set 2.2: A 65 TYR OH : rot 6:sc= 0.397 USER MOD Single : A 1 GLY N :NH3+ -120:sc= 0.0801 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.00768 USER MOD Single : A 10 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0132) USER MOD Single : A 15 CYS SG : rot -111:sc= -0.665 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -164:sc=-0.00022 (180deg=-0.381) USER MOD Single : A 20 THR OG1 : rot 93:sc= 1.06 USER MOD Single : A 22 MET CE :methyl -168:sc= -0.374 (180deg=-0.62) USER MOD Single : A 24 THR OG1 : rot -19:sc= 1.16 USER MOD Single : A 25 HIS : no HD1:sc= 0.00349 K(o=0.0035,f=-1.1) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -131:sc= -0.582 (180deg=-2.41!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000858) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl 164:sc= -0.122 (180deg=-0.548) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -30:sc= 0.305 USER MOD Single : A 64 GLN : amide:sc= -3.1! C(o=-3.1!,f=-7.1!) USER MOD Single : A 81 ASN : amide:sc= -6.25! C(o=-6.3!,f=-8.6!) USER MOD Single : A 82 CYS SG : rot 180:sc= -1.73 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -2.73! C(o=-2.7!,f=-3.3!) USER MOD Single : A 90 SER OG : rot -79:sc= 1.29 USER MOD Single : A 97 HIS : no HE2:sc= -0.0652 K(o=-0.065,f=-2) USER MOD Single : A 98 ASN : amide:sc= 0.305 K(o=0.31,f=-2.4!) USER MOD Single : A 99 MET CE :methyl -140:sc= -4! (180deg=-4.81!) USER MOD Single : A 101 LYS NZ :NH3+ 154:sc= -0.0887 (180deg=-0.55) USER MOD Single : A 102 TYR OH : rot 95:sc= -1.32 USER MOD Single : A 105 LYS NZ :NH3+ 165:sc= -0.0362 (180deg=-0.273) USER MOD Single : A 106 LYS NZ :NH3+ -114:sc= -0.0116 (180deg=-0.681) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot -130:sc= -0.181 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.116 35.094 -5.521 1.00 0.00 N ATOM 2 CA GLY A 1 -7.601 34.999 -4.167 1.00 0.00 C ATOM 3 C GLY A 1 -6.518 33.947 -4.032 1.00 0.00 C ATOM 4 O GLY A 1 -6.202 33.245 -4.992 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.957 36.055 -5.886 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.625 34.407 -6.128 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.136 34.889 -5.520 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.203 35.967 -3.864 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.419 34.764 -3.486 1.00 0.00 H new ATOM 8 N SER A 2 -5.946 33.840 -2.837 1.00 0.00 N ATOM 9 CA SER A 2 -4.888 32.870 -2.581 1.00 0.00 C ATOM 10 C SER A 2 -5.474 31.512 -2.205 1.00 0.00 C ATOM 11 O SER A 2 -5.704 31.227 -1.030 1.00 0.00 O ATOM 12 CB SER A 2 -3.970 33.368 -1.463 1.00 0.00 C ATOM 13 OG SER A 2 -3.195 34.473 -1.894 1.00 0.00 O ATOM 0 H SER A 2 -6.197 34.413 -2.031 1.00 0.00 H new ATOM 0 HA SER A 2 -4.306 32.755 -3.496 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.568 33.654 -0.598 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.311 32.561 -1.142 1.00 0.00 H new ATOM 0 HG SER A 2 -2.618 34.774 -1.161 1.00 0.00 H new ATOM 19 N SER A 3 -5.714 30.679 -3.212 1.00 0.00 N ATOM 20 CA SER A 3 -6.278 29.353 -2.989 1.00 0.00 C ATOM 21 C SER A 3 -5.219 28.397 -2.447 1.00 0.00 C ATOM 22 O SER A 3 -4.089 28.364 -2.932 1.00 0.00 O ATOM 23 CB SER A 3 -6.863 28.799 -4.290 1.00 0.00 C ATOM 24 OG SER A 3 -8.080 29.447 -4.618 1.00 0.00 O ATOM 0 H SER A 3 -5.527 30.899 -4.190 1.00 0.00 H new ATOM 0 HA SER A 3 -7.074 29.443 -2.250 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.146 28.932 -5.100 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.034 27.727 -4.188 1.00 0.00 H new ATOM 0 HG SER A 3 -8.433 29.077 -5.454 1.00 0.00 H new ATOM 30 N GLY A 4 -5.595 27.619 -1.437 1.00 0.00 N ATOM 31 CA GLY A 4 -4.668 26.672 -0.844 1.00 0.00 C ATOM 32 C GLY A 4 -4.885 26.504 0.646 1.00 0.00 C ATOM 33 O GLY A 4 -4.130 27.043 1.455 1.00 0.00 O ATOM 0 H GLY A 4 -6.525 27.627 -1.018 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.777 25.705 -1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.646 27.007 -1.024 1.00 0.00 H new ATOM 37 N SER A 5 -5.921 25.755 1.011 1.00 0.00 N ATOM 38 CA SER A 5 -6.239 25.521 2.415 1.00 0.00 C ATOM 39 C SER A 5 -5.683 24.179 2.881 1.00 0.00 C ATOM 40 O SER A 5 -6.359 23.153 2.801 1.00 0.00 O ATOM 41 CB SER A 5 -7.753 25.562 2.631 1.00 0.00 C ATOM 42 OG SER A 5 -8.233 26.896 2.624 1.00 0.00 O ATOM 0 H SER A 5 -6.554 25.300 0.354 1.00 0.00 H new ATOM 0 HA SER A 5 -5.774 26.312 3.004 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.251 24.989 1.849 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.001 25.088 3.581 1.00 0.00 H new ATOM 0 HG SER A 5 -9.203 26.895 2.762 1.00 0.00 H new ATOM 48 N SER A 6 -4.447 24.194 3.369 1.00 0.00 N ATOM 49 CA SER A 6 -3.798 22.978 3.846 1.00 0.00 C ATOM 50 C SER A 6 -2.870 23.282 5.018 1.00 0.00 C ATOM 51 O SER A 6 -2.116 24.254 4.993 1.00 0.00 O ATOM 52 CB SER A 6 -3.009 22.319 2.713 1.00 0.00 C ATOM 53 OG SER A 6 -1.788 23.000 2.479 1.00 0.00 O ATOM 0 H SER A 6 -3.875 25.035 3.445 1.00 0.00 H new ATOM 0 HA SER A 6 -4.572 22.291 4.187 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.806 21.278 2.964 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.608 22.316 1.802 1.00 0.00 H new ATOM 0 HG SER A 6 -1.301 22.559 1.752 1.00 0.00 H new ATOM 59 N GLY A 7 -2.932 22.441 6.047 1.00 0.00 N ATOM 60 CA GLY A 7 -2.093 22.635 7.215 1.00 0.00 C ATOM 61 C GLY A 7 -0.776 21.891 7.113 1.00 0.00 C ATOM 62 O GLY A 7 -0.342 21.530 6.019 1.00 0.00 O ATOM 0 H GLY A 7 -3.548 21.629 6.092 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.896 23.699 7.345 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.629 22.299 8.103 1.00 0.00 H new ATOM 66 N ASP A 8 -0.138 21.662 8.256 1.00 0.00 N ATOM 67 CA ASP A 8 1.138 20.957 8.291 1.00 0.00 C ATOM 68 C ASP A 8 0.942 19.500 8.699 1.00 0.00 C ATOM 69 O ASP A 8 1.448 18.589 8.044 1.00 0.00 O ATOM 70 CB ASP A 8 2.099 21.646 9.260 1.00 0.00 C ATOM 71 CG ASP A 8 2.428 23.065 8.839 1.00 0.00 C ATOM 72 OD1 ASP A 8 3.171 23.233 7.850 1.00 0.00 O ATOM 73 OD2 ASP A 8 1.943 24.008 9.500 1.00 0.00 O ATOM 0 H ASP A 8 -0.484 21.954 9.170 1.00 0.00 H new ATOM 0 HA ASP A 8 1.566 20.981 7.289 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.658 21.659 10.257 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.020 21.067 9.327 1.00 0.00 H new ATOM 78 N SER A 9 0.206 19.289 9.785 1.00 0.00 N ATOM 79 CA SER A 9 -0.052 17.943 10.284 1.00 0.00 C ATOM 80 C SER A 9 -1.438 17.464 9.861 1.00 0.00 C ATOM 81 O SER A 9 -1.609 16.322 9.432 1.00 0.00 O ATOM 82 CB SER A 9 0.068 17.909 11.808 1.00 0.00 C ATOM 83 OG SER A 9 -0.619 18.999 12.399 1.00 0.00 O ATOM 0 H SER A 9 -0.222 20.033 10.336 1.00 0.00 H new ATOM 0 HA SER A 9 0.693 17.274 9.853 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.338 16.971 12.187 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.119 17.940 12.094 1.00 0.00 H new ATOM 0 HG SER A 9 -0.528 18.953 13.374 1.00 0.00 H new ATOM 89 N LYS A 10 -2.425 18.345 9.984 1.00 0.00 N ATOM 90 CA LYS A 10 -3.796 18.015 9.615 1.00 0.00 C ATOM 91 C LYS A 10 -3.824 17.064 8.423 1.00 0.00 C ATOM 92 O LYS A 10 -4.482 16.024 8.462 1.00 0.00 O ATOM 93 CB LYS A 10 -4.577 19.289 9.283 1.00 0.00 C ATOM 94 CG LYS A 10 -6.056 19.049 9.038 1.00 0.00 C ATOM 95 CD LYS A 10 -6.339 18.757 7.574 1.00 0.00 C ATOM 96 CE LYS A 10 -6.293 20.024 6.734 1.00 0.00 C ATOM 97 NZ LYS A 10 -7.524 20.846 6.902 1.00 0.00 N ATOM 0 H LYS A 10 -2.300 19.294 10.337 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.266 17.519 10.464 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.464 19.999 10.103 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.141 19.752 8.398 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.396 18.213 9.649 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.624 19.925 9.352 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.608 18.042 7.197 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.320 18.291 7.478 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.421 20.614 7.015 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.174 19.759 5.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.492 21.656 6.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.361 20.265 6.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.580 21.191 7.881 1.00 0.00 H new ATOM 111 N ASP A 11 -3.107 17.426 7.365 1.00 0.00 N ATOM 112 CA ASP A 11 -3.048 16.603 6.163 1.00 0.00 C ATOM 113 C ASP A 11 -2.613 15.180 6.499 1.00 0.00 C ATOM 114 O ASP A 11 -3.255 14.211 6.092 1.00 0.00 O ATOM 115 CB ASP A 11 -2.085 17.217 5.145 1.00 0.00 C ATOM 116 CG ASP A 11 -2.028 18.729 5.241 1.00 0.00 C ATOM 117 OD1 ASP A 11 -3.053 19.339 5.613 1.00 0.00 O ATOM 118 OD2 ASP A 11 -0.960 19.304 4.943 1.00 0.00 O ATOM 0 H ASP A 11 -2.558 18.284 7.315 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.047 16.565 5.729 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.087 16.808 5.301 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.393 16.931 4.139 1.00 0.00 H new ATOM 123 N LEU A 12 -1.518 15.062 7.242 1.00 0.00 N ATOM 124 CA LEU A 12 -0.996 13.757 7.632 1.00 0.00 C ATOM 125 C LEU A 12 -2.042 12.961 8.406 1.00 0.00 C ATOM 126 O LEU A 12 -2.121 11.739 8.285 1.00 0.00 O ATOM 127 CB LEU A 12 0.266 13.924 8.481 1.00 0.00 C ATOM 128 CG LEU A 12 1.575 14.096 7.711 1.00 0.00 C ATOM 129 CD1 LEU A 12 1.778 12.946 6.738 1.00 0.00 C ATOM 130 CD2 LEU A 12 1.590 15.428 6.975 1.00 0.00 C ATOM 0 H LEU A 12 -0.975 15.854 7.586 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.746 13.207 6.725 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.132 14.791 9.128 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.361 13.053 9.130 1.00 0.00 H new ATOM 0 HG LEU A 12 2.398 14.089 8.426 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.715 13.086 6.199 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.813 12.006 7.288 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.952 12.920 6.028 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.529 15.533 6.432 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.758 15.464 6.271 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.493 16.242 7.694 1.00 0.00 H new ATOM 142 N ALA A 13 -2.844 13.663 9.199 1.00 0.00 N ATOM 143 CA ALA A 13 -3.889 13.023 9.989 1.00 0.00 C ATOM 144 C ALA A 13 -4.848 12.239 9.100 1.00 0.00 C ATOM 145 O ALA A 13 -5.158 11.079 9.374 1.00 0.00 O ATOM 146 CB ALA A 13 -4.648 14.061 10.801 1.00 0.00 C ATOM 0 H ALA A 13 -2.790 14.675 9.312 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.413 12.320 10.673 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.425 13.569 11.386 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.959 14.573 11.472 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.105 14.786 10.128 1.00 0.00 H new ATOM 152 N LEU A 14 -5.316 12.880 8.034 1.00 0.00 N ATOM 153 CA LEU A 14 -6.241 12.243 7.104 1.00 0.00 C ATOM 154 C LEU A 14 -5.612 11.006 6.471 1.00 0.00 C ATOM 155 O LEU A 14 -6.185 9.916 6.512 1.00 0.00 O ATOM 156 CB LEU A 14 -6.659 13.231 6.013 1.00 0.00 C ATOM 157 CG LEU A 14 -7.334 14.515 6.494 1.00 0.00 C ATOM 158 CD1 LEU A 14 -7.504 15.493 5.341 1.00 0.00 C ATOM 159 CD2 LEU A 14 -8.679 14.204 7.134 1.00 0.00 C ATOM 0 H LEU A 14 -5.070 13.840 7.793 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.124 11.933 7.663 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.774 13.503 5.438 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.338 12.721 5.330 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.695 14.978 7.246 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.986 16.401 5.702 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.527 15.741 4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.121 15.038 4.566 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.145 15.130 7.470 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.325 13.717 6.404 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.532 13.541 7.987 1.00 0.00 H new ATOM 171 N CYS A 15 -4.430 11.181 5.889 1.00 0.00 N ATOM 172 CA CYS A 15 -3.722 10.078 5.250 1.00 0.00 C ATOM 173 C CYS A 15 -3.801 8.814 6.100 1.00 0.00 C ATOM 174 O CYS A 15 -4.025 7.720 5.584 1.00 0.00 O ATOM 175 CB CYS A 15 -2.259 10.455 5.009 1.00 0.00 C ATOM 176 SG CYS A 15 -2.032 11.843 3.873 1.00 0.00 S ATOM 0 H CYS A 15 -3.943 12.076 5.847 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.201 9.879 4.291 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.796 10.702 5.965 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.731 9.587 4.615 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.489 11.418 2.771 1.00 0.00 H new ATOM 182 N SER A 16 -3.615 8.974 7.407 1.00 0.00 N ATOM 183 CA SER A 16 -3.660 7.845 8.329 1.00 0.00 C ATOM 184 C SER A 16 -5.003 7.126 8.242 1.00 0.00 C ATOM 185 O SER A 16 -5.061 5.897 8.230 1.00 0.00 O ATOM 186 CB SER A 16 -3.415 8.321 9.762 1.00 0.00 C ATOM 187 OG SER A 16 -3.636 7.274 10.691 1.00 0.00 O ATOM 0 H SER A 16 -3.432 9.874 7.851 1.00 0.00 H new ATOM 0 HA SER A 16 -2.874 7.145 8.047 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.393 8.687 9.857 1.00 0.00 H new ATOM 0 HB3 SER A 16 -4.075 9.158 9.989 1.00 0.00 H new ATOM 0 HG SER A 16 -3.472 7.603 11.599 1.00 0.00 H new ATOM 193 N MET A 17 -6.080 7.902 8.181 1.00 0.00 N ATOM 194 CA MET A 17 -7.422 7.339 8.094 1.00 0.00 C ATOM 195 C MET A 17 -7.547 6.414 6.888 1.00 0.00 C ATOM 196 O MET A 17 -7.679 5.199 7.037 1.00 0.00 O ATOM 197 CB MET A 17 -8.462 8.458 8.002 1.00 0.00 C ATOM 198 CG MET A 17 -8.262 9.559 9.031 1.00 0.00 C ATOM 199 SD MET A 17 -9.784 10.455 9.394 1.00 0.00 S ATOM 200 CE MET A 17 -10.372 10.809 7.740 1.00 0.00 C ATOM 0 H MET A 17 -6.050 8.922 8.190 1.00 0.00 H new ATOM 0 HA MET A 17 -7.603 6.756 8.997 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.427 8.894 7.004 1.00 0.00 H new ATOM 0 HB3 MET A 17 -9.456 8.030 8.128 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.873 9.124 9.952 1.00 0.00 H new ATOM 0 HG3 MET A 17 -7.511 10.260 8.667 1.00 0.00 H new ATOM 0 HE1 MET A 17 -11.134 11.587 7.784 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.540 11.150 7.123 1.00 0.00 H new ATOM 0 HE3 MET A 17 -10.800 9.906 7.305 1.00 0.00 H new ATOM 210 N ILE A 18 -7.504 6.996 5.694 1.00 0.00 N ATOM 211 CA ILE A 18 -7.611 6.222 4.463 1.00 0.00 C ATOM 212 C ILE A 18 -6.736 4.975 4.520 1.00 0.00 C ATOM 213 O ILE A 18 -7.237 3.850 4.494 1.00 0.00 O ATOM 214 CB ILE A 18 -7.212 7.061 3.235 1.00 0.00 C ATOM 215 CG1 ILE A 18 -8.155 8.255 3.076 1.00 0.00 C ATOM 216 CG2 ILE A 18 -7.222 6.200 1.980 1.00 0.00 C ATOM 217 CD1 ILE A 18 -7.649 9.300 2.107 1.00 0.00 C ATOM 0 H ILE A 18 -7.396 8.000 5.553 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.655 5.925 4.366 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.201 7.439 3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -9.127 7.897 2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.308 8.719 4.050 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.938 6.807 1.120 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.513 5.380 2.096 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.222 5.796 1.824 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -8.368 10.117 2.044 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.691 9.686 2.456 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -7.523 8.852 1.122 1.00 0.00 H new ATOM 229 N LEU A 19 -5.426 5.181 4.599 1.00 0.00 N ATOM 230 CA LEU A 19 -4.479 4.073 4.661 1.00 0.00 C ATOM 231 C LEU A 19 -4.992 2.971 5.583 1.00 0.00 C ATOM 232 O LEU A 19 -5.161 1.825 5.164 1.00 0.00 O ATOM 233 CB LEU A 19 -3.116 4.568 5.148 1.00 0.00 C ATOM 234 CG LEU A 19 -2.016 3.511 5.251 1.00 0.00 C ATOM 235 CD1 LEU A 19 -1.706 2.929 3.880 1.00 0.00 C ATOM 236 CD2 LEU A 19 -0.762 4.105 5.876 1.00 0.00 C ATOM 0 H LEU A 19 -4.995 6.105 4.622 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.371 3.662 3.657 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.775 5.354 4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.247 5.024 6.129 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.371 2.706 5.894 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.921 2.178 3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.604 2.467 3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.371 3.724 3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.010 3.338 5.941 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.404 4.929 5.259 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.993 4.473 6.876 1.00 0.00 H new ATOM 248 N THR A 20 -5.239 3.325 6.840 1.00 0.00 N ATOM 249 CA THR A 20 -5.733 2.367 7.821 1.00 0.00 C ATOM 250 C THR A 20 -6.831 1.491 7.229 1.00 0.00 C ATOM 251 O THR A 20 -6.725 0.265 7.224 1.00 0.00 O ATOM 252 CB THR A 20 -6.277 3.076 9.075 1.00 0.00 C ATOM 253 OG1 THR A 20 -5.259 3.902 9.651 1.00 0.00 O ATOM 254 CG2 THR A 20 -6.760 2.064 10.103 1.00 0.00 C ATOM 0 H THR A 20 -5.105 4.269 7.203 1.00 0.00 H new ATOM 0 HA THR A 20 -4.887 1.742 8.106 1.00 0.00 H new ATOM 0 HB THR A 20 -7.122 3.697 8.777 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.340 4.813 9.300 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.140 2.589 10.980 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.556 1.457 9.670 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.931 1.420 10.396 1.00 0.00 H new ATOM 262 N GLU A 21 -7.886 2.129 6.731 1.00 0.00 N ATOM 263 CA GLU A 21 -9.004 1.406 6.136 1.00 0.00 C ATOM 264 C GLU A 21 -8.508 0.350 5.152 1.00 0.00 C ATOM 265 O GLU A 21 -8.944 -0.800 5.188 1.00 0.00 O ATOM 266 CB GLU A 21 -9.949 2.378 5.426 1.00 0.00 C ATOM 267 CG GLU A 21 -10.422 3.521 6.308 1.00 0.00 C ATOM 268 CD GLU A 21 -11.803 4.017 5.929 1.00 0.00 C ATOM 269 OE1 GLU A 21 -12.641 3.187 5.520 1.00 0.00 O ATOM 270 OE2 GLU A 21 -12.046 5.237 6.041 1.00 0.00 O ATOM 0 H GLU A 21 -7.990 3.144 6.728 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.546 0.904 6.937 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.444 2.790 4.552 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.817 1.828 5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -10.430 3.193 7.348 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.712 4.346 6.239 1.00 0.00 H new ATOM 277 N MET A 22 -7.595 0.752 4.274 1.00 0.00 N ATOM 278 CA MET A 22 -7.039 -0.159 3.280 1.00 0.00 C ATOM 279 C MET A 22 -6.234 -1.269 3.950 1.00 0.00 C ATOM 280 O MET A 22 -6.230 -2.409 3.488 1.00 0.00 O ATOM 281 CB MET A 22 -6.153 0.606 2.295 1.00 0.00 C ATOM 282 CG MET A 22 -6.889 1.701 1.540 1.00 0.00 C ATOM 283 SD MET A 22 -6.117 2.095 -0.041 1.00 0.00 S ATOM 284 CE MET A 22 -4.481 2.589 0.495 1.00 0.00 C ATOM 0 H MET A 22 -7.225 1.701 4.230 1.00 0.00 H new ATOM 0 HA MET A 22 -7.867 -0.613 2.736 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.318 1.049 2.838 1.00 0.00 H new ATOM 0 HB3 MET A 22 -5.730 -0.097 1.578 1.00 0.00 H new ATOM 0 HG2 MET A 22 -7.919 1.389 1.369 1.00 0.00 H new ATOM 0 HG3 MET A 22 -6.926 2.600 2.156 1.00 0.00 H new ATOM 0 HE1 MET A 22 -3.954 3.062 -0.334 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.566 3.295 1.321 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.925 1.711 0.824 1.00 0.00 H new ATOM 294 N GLU A 23 -5.554 -0.926 5.039 1.00 0.00 N ATOM 295 CA GLU A 23 -4.745 -1.894 5.770 1.00 0.00 C ATOM 296 C GLU A 23 -5.627 -2.944 6.441 1.00 0.00 C ATOM 297 O GLU A 23 -5.130 -3.890 7.052 1.00 0.00 O ATOM 298 CB GLU A 23 -3.887 -1.186 6.821 1.00 0.00 C ATOM 299 CG GLU A 23 -2.570 -0.659 6.276 1.00 0.00 C ATOM 300 CD GLU A 23 -1.500 -0.549 7.345 1.00 0.00 C ATOM 301 OE1 GLU A 23 -1.818 -0.081 8.458 1.00 0.00 O ATOM 302 OE2 GLU A 23 -0.343 -0.930 7.068 1.00 0.00 O ATOM 0 H GLU A 23 -5.547 0.014 5.434 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.092 -2.395 5.056 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.454 -0.356 7.242 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.682 -1.879 7.637 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.219 -1.319 5.482 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.733 0.321 5.827 1.00 0.00 H new ATOM 309 N THR A 24 -6.939 -2.768 6.323 1.00 0.00 N ATOM 310 CA THR A 24 -7.891 -3.698 6.919 1.00 0.00 C ATOM 311 C THR A 24 -8.877 -4.217 5.879 1.00 0.00 C ATOM 312 O THR A 24 -10.041 -4.476 6.187 1.00 0.00 O ATOM 313 CB THR A 24 -8.675 -3.039 8.069 1.00 0.00 C ATOM 314 OG1 THR A 24 -9.448 -1.942 7.570 1.00 0.00 O ATOM 315 CG2 THR A 24 -7.730 -2.546 9.156 1.00 0.00 C ATOM 0 H THR A 24 -7.367 -1.990 5.820 1.00 0.00 H new ATOM 0 HA THR A 24 -7.312 -4.532 7.315 1.00 0.00 H new ATOM 0 HB THR A 24 -9.341 -3.787 8.500 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.095 -1.662 6.700 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.307 -2.084 9.958 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.164 -3.388 9.555 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.042 -1.813 8.735 1.00 0.00 H new ATOM 323 N HIS A 25 -8.405 -4.368 4.646 1.00 0.00 N ATOM 324 CA HIS A 25 -9.246 -4.858 3.560 1.00 0.00 C ATOM 325 C HIS A 25 -8.933 -6.318 3.247 1.00 0.00 C ATOM 326 O HIS A 25 -7.857 -6.816 3.574 1.00 0.00 O ATOM 327 CB HIS A 25 -9.048 -4.003 2.308 1.00 0.00 C ATOM 328 CG HIS A 25 -10.279 -3.883 1.463 1.00 0.00 C ATOM 329 ND1 HIS A 25 -10.486 -4.631 0.324 1.00 0.00 N ATOM 330 CD2 HIS A 25 -11.373 -3.097 1.599 1.00 0.00 C ATOM 331 CE1 HIS A 25 -11.653 -4.310 -0.206 1.00 0.00 C ATOM 332 NE2 HIS A 25 -12.212 -3.381 0.550 1.00 0.00 N ATOM 0 H HIS A 25 -7.445 -4.158 4.374 1.00 0.00 H new ATOM 0 HA HIS A 25 -10.286 -4.787 3.879 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.724 -3.006 2.607 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -8.246 -4.433 1.708 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -11.552 -2.380 2.386 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -12.078 -4.734 -1.104 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -13.119 -2.946 0.382 1.00 0.00 H new ATOM 340 N GLU A 26 -9.883 -6.999 2.613 1.00 0.00 N ATOM 341 CA GLU A 26 -9.708 -8.403 2.258 1.00 0.00 C ATOM 342 C GLU A 26 -8.838 -8.545 1.013 1.00 0.00 C ATOM 343 O GLU A 26 -8.461 -9.653 0.630 1.00 0.00 O ATOM 344 CB GLU A 26 -11.068 -9.065 2.022 1.00 0.00 C ATOM 345 CG GLU A 26 -11.791 -8.546 0.791 1.00 0.00 C ATOM 346 CD GLU A 26 -13.236 -9.004 0.727 1.00 0.00 C ATOM 347 OE1 GLU A 26 -13.468 -10.206 0.484 1.00 0.00 O ATOM 348 OE2 GLU A 26 -14.134 -8.158 0.921 1.00 0.00 O ATOM 0 H GLU A 26 -10.780 -6.602 2.335 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.208 -8.902 3.088 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.927 -10.141 1.923 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.697 -8.905 2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.759 -7.456 0.787 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.267 -8.883 -0.103 1.00 0.00 H new ATOM 355 N ASP A 27 -8.522 -7.417 0.387 1.00 0.00 N ATOM 356 CA ASP A 27 -7.696 -7.415 -0.814 1.00 0.00 C ATOM 357 C ASP A 27 -6.556 -6.409 -0.688 1.00 0.00 C ATOM 358 O ASP A 27 -6.095 -5.849 -1.682 1.00 0.00 O ATOM 359 CB ASP A 27 -8.546 -7.088 -2.043 1.00 0.00 C ATOM 360 CG ASP A 27 -9.192 -8.321 -2.644 1.00 0.00 C ATOM 361 OD1 ASP A 27 -8.774 -9.444 -2.289 1.00 0.00 O ATOM 362 OD2 ASP A 27 -10.115 -8.164 -3.469 1.00 0.00 O ATOM 0 H ASP A 27 -8.826 -6.492 0.692 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.268 -8.410 -0.932 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.321 -6.374 -1.766 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.922 -6.605 -2.795 1.00 0.00 H new ATOM 367 N ALA A 28 -6.106 -6.184 0.543 1.00 0.00 N ATOM 368 CA ALA A 28 -5.020 -5.247 0.799 1.00 0.00 C ATOM 369 C ALA A 28 -3.851 -5.938 1.494 1.00 0.00 C ATOM 370 O ALA A 28 -2.849 -5.302 1.824 1.00 0.00 O ATOM 371 CB ALA A 28 -5.517 -4.078 1.637 1.00 0.00 C ATOM 0 H ALA A 28 -6.477 -6.638 1.378 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.667 -4.868 -0.160 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -4.695 -3.386 1.820 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.314 -3.561 1.103 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.898 -4.449 2.589 1.00 0.00 H new ATOM 377 N TRP A 29 -3.986 -7.241 1.712 1.00 0.00 N ATOM 378 CA TRP A 29 -2.940 -8.018 2.368 1.00 0.00 C ATOM 379 C TRP A 29 -1.770 -8.264 1.422 1.00 0.00 C ATOM 380 O TRP A 29 -0.616 -8.377 1.835 1.00 0.00 O ATOM 381 CB TRP A 29 -3.502 -9.352 2.863 1.00 0.00 C ATOM 382 CG TRP A 29 -3.892 -10.280 1.752 1.00 0.00 C ATOM 383 CD1 TRP A 29 -5.160 -10.591 1.352 1.00 0.00 C ATOM 384 CD2 TRP A 29 -3.009 -11.018 0.901 1.00 0.00 C ATOM 385 NE1 TRP A 29 -5.118 -11.478 0.304 1.00 0.00 N ATOM 386 CE2 TRP A 29 -3.810 -11.755 0.008 1.00 0.00 C ATOM 387 CE3 TRP A 29 -1.619 -11.126 0.806 1.00 0.00 C ATOM 388 CZ2 TRP A 29 -3.266 -12.588 -0.966 1.00 0.00 C ATOM 389 CZ3 TRP A 29 -1.080 -11.954 -0.161 1.00 0.00 C ATOM 390 CH2 TRP A 29 -1.902 -12.676 -1.037 1.00 0.00 C ATOM 0 H TRP A 29 -4.809 -7.782 1.445 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.578 -7.445 3.222 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.758 -9.841 3.491 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -4.373 -9.161 3.490 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.063 -10.197 1.795 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.930 -11.867 -0.176 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.977 -10.573 1.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -3.898 -13.145 -1.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.007 -12.046 -0.243 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.450 -13.314 -1.782 1.00 0.00 H new ATOM 401 N PRO A 30 -2.070 -8.349 0.118 1.00 0.00 N ATOM 402 CA PRO A 30 -0.970 -8.585 -0.822 1.00 0.00 C ATOM 403 C PRO A 30 0.214 -7.656 -0.575 1.00 0.00 C ATOM 404 O PRO A 30 1.329 -7.922 -1.023 1.00 0.00 O ATOM 405 CB PRO A 30 -1.601 -8.294 -2.186 1.00 0.00 C ATOM 406 CG PRO A 30 -3.056 -8.554 -1.993 1.00 0.00 C ATOM 407 CD PRO A 30 -3.371 -8.241 -0.563 1.00 0.00 C ATOM 0 HA PRO A 30 -0.565 -9.593 -0.730 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.420 -7.264 -2.494 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.183 -8.937 -2.961 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.651 -7.934 -2.664 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.296 -9.592 -2.222 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.796 -7.243 -0.457 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -4.097 -8.942 -0.151 1.00 0.00 H new ATOM 415 N PHE A 31 -0.036 -6.565 0.142 1.00 0.00 N ATOM 416 CA PHE A 31 1.010 -5.596 0.449 1.00 0.00 C ATOM 417 C PHE A 31 1.257 -5.521 1.953 1.00 0.00 C ATOM 418 O PHE A 31 2.385 -5.306 2.398 1.00 0.00 O ATOM 419 CB PHE A 31 0.628 -4.215 -0.086 1.00 0.00 C ATOM 420 CG PHE A 31 -0.185 -4.265 -1.348 1.00 0.00 C ATOM 421 CD1 PHE A 31 -1.554 -4.472 -1.298 1.00 0.00 C ATOM 422 CD2 PHE A 31 0.420 -4.105 -2.585 1.00 0.00 C ATOM 423 CE1 PHE A 31 -2.304 -4.519 -2.458 1.00 0.00 C ATOM 424 CE2 PHE A 31 -0.325 -4.150 -3.748 1.00 0.00 C ATOM 425 CZ PHE A 31 -1.689 -4.357 -3.684 1.00 0.00 C ATOM 0 H PHE A 31 -0.953 -6.330 0.521 1.00 0.00 H new ATOM 0 HA PHE A 31 1.929 -5.924 -0.037 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.064 -3.681 0.679 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.536 -3.642 -0.271 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.040 -4.598 -0.342 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.486 -3.943 -2.640 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -3.370 -4.682 -2.406 1.00 0.00 H new ATOM 0 HE2 PHE A 31 0.159 -4.024 -4.705 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.274 -4.392 -4.591 1.00 0.00 H new ATOM 435 N LEU A 32 0.195 -5.698 2.730 1.00 0.00 N ATOM 436 CA LEU A 32 0.294 -5.650 4.185 1.00 0.00 C ATOM 437 C LEU A 32 1.672 -6.111 4.652 1.00 0.00 C ATOM 438 O LEU A 32 2.263 -5.519 5.556 1.00 0.00 O ATOM 439 CB LEU A 32 -0.790 -6.522 4.819 1.00 0.00 C ATOM 440 CG LEU A 32 -2.171 -5.881 4.959 1.00 0.00 C ATOM 441 CD1 LEU A 32 -3.159 -6.867 5.563 1.00 0.00 C ATOM 442 CD2 LEU A 32 -2.090 -4.618 5.805 1.00 0.00 C ATOM 0 H LEU A 32 -0.745 -5.876 2.377 1.00 0.00 H new ATOM 0 HA LEU A 32 0.150 -4.617 4.501 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.892 -7.430 4.224 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.451 -6.826 5.809 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.525 -5.607 3.965 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.136 -6.393 5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.240 -7.742 4.918 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.810 -7.174 6.549 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.082 -4.175 5.894 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.714 -4.868 6.797 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.416 -3.905 5.331 1.00 0.00 H new ATOM 454 N LEU A 33 2.178 -7.169 4.029 1.00 0.00 N ATOM 455 CA LEU A 33 3.487 -7.709 4.379 1.00 0.00 C ATOM 456 C LEU A 33 4.523 -7.356 3.317 1.00 0.00 C ATOM 457 O LEU A 33 4.237 -7.329 2.120 1.00 0.00 O ATOM 458 CB LEU A 33 3.407 -9.228 4.545 1.00 0.00 C ATOM 459 CG LEU A 33 2.690 -9.729 5.799 1.00 0.00 C ATOM 460 CD1 LEU A 33 2.573 -11.245 5.776 1.00 0.00 C ATOM 461 CD2 LEU A 33 3.421 -9.268 7.051 1.00 0.00 C ATOM 0 H LEU A 33 1.702 -7.670 3.279 1.00 0.00 H new ATOM 0 HA LEU A 33 3.796 -7.263 5.324 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.903 -9.643 3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.421 -9.627 4.547 1.00 0.00 H new ATOM 0 HG LEU A 33 1.685 -9.307 5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.060 -11.584 6.676 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.006 -11.553 4.897 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.569 -11.686 5.738 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.897 -9.634 7.934 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.438 -9.661 7.044 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.453 -8.179 7.073 1.00 0.00 H new ATOM 473 N PRO A 34 5.758 -7.079 3.763 1.00 0.00 N ATOM 474 CA PRO A 34 6.862 -6.725 2.867 1.00 0.00 C ATOM 475 C PRO A 34 7.326 -7.908 2.023 1.00 0.00 C ATOM 476 O PRO A 34 7.253 -9.058 2.455 1.00 0.00 O ATOM 477 CB PRO A 34 7.971 -6.285 3.826 1.00 0.00 C ATOM 478 CG PRO A 34 7.669 -6.991 5.103 1.00 0.00 C ATOM 479 CD PRO A 34 6.170 -7.091 5.177 1.00 0.00 C ATOM 0 HA PRO A 34 6.573 -5.959 2.148 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.955 -6.559 3.445 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.971 -5.203 3.962 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.127 -7.980 5.120 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.066 -6.441 5.956 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.852 -8.004 5.681 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.738 -6.256 5.729 1.00 0.00 H new ATOM 487 N VAL A 35 7.804 -7.617 0.817 1.00 0.00 N ATOM 488 CA VAL A 35 8.281 -8.657 -0.087 1.00 0.00 C ATOM 489 C VAL A 35 9.754 -8.964 0.158 1.00 0.00 C ATOM 490 O VAL A 35 10.606 -8.081 0.069 1.00 0.00 O ATOM 491 CB VAL A 35 8.091 -8.250 -1.560 1.00 0.00 C ATOM 492 CG1 VAL A 35 8.701 -6.881 -1.819 1.00 0.00 C ATOM 493 CG2 VAL A 35 8.698 -9.296 -2.483 1.00 0.00 C ATOM 0 H VAL A 35 7.871 -6.670 0.444 1.00 0.00 H new ATOM 0 HA VAL A 35 7.688 -9.549 0.115 1.00 0.00 H new ATOM 0 HB VAL A 35 7.023 -8.190 -1.768 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.557 -6.610 -2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.216 -6.140 -1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.767 -6.910 -1.595 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.555 -8.993 -3.520 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.764 -9.389 -2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.210 -10.256 -2.315 1.00 0.00 H new ATOM 503 N ASN A 36 10.047 -10.223 0.468 1.00 0.00 N ATOM 504 CA ASN A 36 11.418 -10.648 0.726 1.00 0.00 C ATOM 505 C ASN A 36 12.235 -10.663 -0.563 1.00 0.00 C ATOM 506 O ASN A 36 12.197 -11.630 -1.324 1.00 0.00 O ATOM 507 CB ASN A 36 11.432 -12.037 1.367 1.00 0.00 C ATOM 508 CG ASN A 36 11.353 -11.976 2.880 1.00 0.00 C ATOM 509 OD1 ASN A 36 10.317 -12.281 3.472 1.00 0.00 O ATOM 510 ND2 ASN A 36 12.451 -11.579 3.514 1.00 0.00 N ATOM 0 H ASN A 36 9.353 -10.967 0.547 1.00 0.00 H new ATOM 0 HA ASN A 36 11.870 -9.933 1.414 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.593 -12.619 0.985 1.00 0.00 H new ATOM 0 HB3 ASN A 36 12.342 -12.560 1.074 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.458 -11.517 4.532 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.287 -11.336 2.983 1.00 0.00 H new ATOM 517 N LEU A 37 12.973 -9.584 -0.801 1.00 0.00 N ATOM 518 CA LEU A 37 13.801 -9.472 -1.997 1.00 0.00 C ATOM 519 C LEU A 37 14.811 -10.612 -2.069 1.00 0.00 C ATOM 520 O LEU A 37 15.201 -11.044 -3.154 1.00 0.00 O ATOM 521 CB LEU A 37 14.530 -8.128 -2.013 1.00 0.00 C ATOM 522 CG LEU A 37 13.685 -6.902 -1.663 1.00 0.00 C ATOM 523 CD1 LEU A 37 14.549 -5.651 -1.627 1.00 0.00 C ATOM 524 CD2 LEU A 37 12.546 -6.737 -2.658 1.00 0.00 C ATOM 0 H LEU A 37 13.015 -8.775 -0.182 1.00 0.00 H new ATOM 0 HA LEU A 37 13.148 -9.534 -2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 37 15.364 -8.181 -1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 37 14.956 -7.980 -3.006 1.00 0.00 H new ATOM 0 HG LEU A 37 13.256 -7.051 -0.672 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.931 -4.789 -1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 37 15.329 -5.769 -0.875 1.00 0.00 H new ATOM 0 HD13 LEU A 37 15.007 -5.497 -2.604 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.956 -5.860 -2.393 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.954 -6.610 -3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.911 -7.623 -2.634 1.00 0.00 H new ATOM 536 N LYS A 38 15.231 -11.098 -0.906 1.00 0.00 N ATOM 537 CA LYS A 38 16.193 -12.191 -0.835 1.00 0.00 C ATOM 538 C LYS A 38 15.548 -13.512 -1.243 1.00 0.00 C ATOM 539 O LYS A 38 16.180 -14.350 -1.887 1.00 0.00 O ATOM 540 CB LYS A 38 16.762 -12.306 0.581 1.00 0.00 C ATOM 541 CG LYS A 38 17.594 -11.107 1.002 1.00 0.00 C ATOM 542 CD LYS A 38 18.251 -11.331 2.353 1.00 0.00 C ATOM 543 CE LYS A 38 19.509 -12.176 2.228 1.00 0.00 C ATOM 544 NZ LYS A 38 19.203 -13.633 2.250 1.00 0.00 N ATOM 0 H LYS A 38 14.920 -10.752 0.001 1.00 0.00 H new ATOM 0 HA LYS A 38 17.004 -11.973 -1.530 1.00 0.00 H new ATOM 0 HB2 LYS A 38 15.939 -12.432 1.285 1.00 0.00 H new ATOM 0 HB3 LYS A 38 17.376 -13.204 0.645 1.00 0.00 H new ATOM 0 HG2 LYS A 38 18.360 -10.913 0.251 1.00 0.00 H new ATOM 0 HG3 LYS A 38 16.961 -10.221 1.047 1.00 0.00 H new ATOM 0 HD2 LYS A 38 18.501 -10.369 2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 38 17.547 -11.822 3.024 1.00 0.00 H new ATOM 0 HE2 LYS A 38 20.023 -11.927 1.300 1.00 0.00 H new ATOM 0 HE3 LYS A 38 20.190 -11.936 3.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 19.829 -14.109 2.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 18.212 -13.775 2.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 19.354 -14.034 1.302 1.00 0.00 H new ATOM 558 N LEU A 39 14.286 -13.690 -0.867 1.00 0.00 N ATOM 559 CA LEU A 39 13.555 -14.908 -1.196 1.00 0.00 C ATOM 560 C LEU A 39 13.084 -14.886 -2.647 1.00 0.00 C ATOM 561 O LEU A 39 13.455 -15.746 -3.445 1.00 0.00 O ATOM 562 CB LEU A 39 12.356 -15.075 -0.261 1.00 0.00 C ATOM 563 CG LEU A 39 12.682 -15.311 1.213 1.00 0.00 C ATOM 564 CD1 LEU A 39 11.407 -15.525 2.015 1.00 0.00 C ATOM 565 CD2 LEU A 39 13.618 -16.502 1.368 1.00 0.00 C ATOM 0 H LEU A 39 13.748 -13.006 -0.334 1.00 0.00 H new ATOM 0 HA LEU A 39 14.230 -15.754 -1.066 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.735 -14.182 -0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 39 11.756 -15.912 -0.618 1.00 0.00 H new ATOM 0 HG LEU A 39 13.185 -14.425 1.600 1.00 0.00 H new ATOM 0 HD11 LEU A 39 11.659 -15.691 3.062 1.00 0.00 H new ATOM 0 HD12 LEU A 39 10.772 -14.643 1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.875 -16.394 1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 39 13.840 -16.656 2.424 1.00 0.00 H new ATOM 0 HD22 LEU A 39 13.141 -17.395 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 39 14.545 -16.309 0.827 1.00 0.00 H new ATOM 577 N VAL A 40 12.264 -13.894 -2.983 1.00 0.00 N ATOM 578 CA VAL A 40 11.745 -13.757 -4.338 1.00 0.00 C ATOM 579 C VAL A 40 12.874 -13.759 -5.362 1.00 0.00 C ATOM 580 O VAL A 40 13.880 -13.065 -5.215 1.00 0.00 O ATOM 581 CB VAL A 40 10.926 -12.462 -4.497 1.00 0.00 C ATOM 582 CG1 VAL A 40 10.370 -12.351 -5.908 1.00 0.00 C ATOM 583 CG2 VAL A 40 9.806 -12.411 -3.468 1.00 0.00 C ATOM 0 H VAL A 40 11.945 -13.174 -2.335 1.00 0.00 H new ATOM 0 HA VAL A 40 11.095 -14.614 -4.516 1.00 0.00 H new ATOM 0 HB VAL A 40 11.586 -11.612 -4.325 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.795 -11.430 -6.001 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.192 -12.339 -6.623 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.724 -13.205 -6.113 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.237 -11.490 -3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.145 -13.267 -3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.232 -12.440 -2.465 1.00 0.00 H new ATOM 593 N PRO A 41 12.706 -14.559 -6.426 1.00 0.00 N ATOM 594 CA PRO A 41 13.701 -14.671 -7.497 1.00 0.00 C ATOM 595 C PRO A 41 13.790 -13.403 -8.340 1.00 0.00 C ATOM 596 O PRO A 41 13.230 -13.332 -9.433 1.00 0.00 O ATOM 597 CB PRO A 41 13.184 -15.839 -8.341 1.00 0.00 C ATOM 598 CG PRO A 41 11.716 -15.868 -8.087 1.00 0.00 C ATOM 599 CD PRO A 41 11.532 -15.414 -6.666 1.00 0.00 C ATOM 0 HA PRO A 41 14.707 -14.823 -7.105 1.00 0.00 H new ATOM 0 HB2 PRO A 41 13.400 -15.689 -9.399 1.00 0.00 H new ATOM 0 HB3 PRO A 41 13.655 -16.778 -8.049 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.188 -15.211 -8.778 1.00 0.00 H new ATOM 0 HG3 PRO A 41 11.315 -16.871 -8.231 1.00 0.00 H new ATOM 0 HD2 PRO A 41 10.601 -14.863 -6.538 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.501 -16.257 -5.976 1.00 0.00 H new ATOM 607 N GLY A 42 14.499 -12.403 -7.824 1.00 0.00 N ATOM 608 CA GLY A 42 14.649 -11.152 -8.544 1.00 0.00 C ATOM 609 C GLY A 42 13.398 -10.297 -8.486 1.00 0.00 C ATOM 610 O GLY A 42 12.568 -10.337 -9.394 1.00 0.00 O ATOM 0 H GLY A 42 14.972 -12.437 -6.921 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.487 -10.594 -8.126 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.894 -11.362 -9.585 1.00 0.00 H new ATOM 614 N TYR A 43 13.263 -9.522 -7.416 1.00 0.00 N ATOM 615 CA TYR A 43 12.102 -8.657 -7.241 1.00 0.00 C ATOM 616 C TYR A 43 12.482 -7.191 -7.433 1.00 0.00 C ATOM 617 O TYR A 43 11.744 -6.421 -8.048 1.00 0.00 O ATOM 618 CB TYR A 43 11.493 -8.859 -5.853 1.00 0.00 C ATOM 619 CG TYR A 43 10.161 -8.168 -5.670 1.00 0.00 C ATOM 620 CD1 TYR A 43 8.997 -8.704 -6.207 1.00 0.00 C ATOM 621 CD2 TYR A 43 10.066 -6.979 -4.957 1.00 0.00 C ATOM 622 CE1 TYR A 43 7.779 -8.075 -6.043 1.00 0.00 C ATOM 623 CE2 TYR A 43 8.851 -6.344 -4.786 1.00 0.00 C ATOM 624 CZ TYR A 43 7.710 -6.895 -5.332 1.00 0.00 C ATOM 625 OH TYR A 43 6.498 -6.266 -5.164 1.00 0.00 O ATOM 0 H TYR A 43 13.943 -9.475 -6.657 1.00 0.00 H new ATOM 0 HA TYR A 43 11.364 -8.925 -7.997 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.367 -9.927 -5.673 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.191 -8.489 -5.102 1.00 0.00 H new ATOM 0 HD1 TYR A 43 9.046 -9.629 -6.762 1.00 0.00 H new ATOM 0 HD2 TYR A 43 10.957 -6.544 -4.529 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.885 -8.505 -6.469 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.795 -5.421 -4.228 1.00 0.00 H new ATOM 0 HH TYR A 43 6.624 -5.448 -4.639 1.00 0.00 H new ATOM 635 N LYS A 44 13.639 -6.812 -6.902 1.00 0.00 N ATOM 636 CA LYS A 44 14.121 -5.441 -7.014 1.00 0.00 C ATOM 637 C LYS A 44 14.302 -5.046 -8.477 1.00 0.00 C ATOM 638 O LYS A 44 13.826 -3.997 -8.911 1.00 0.00 O ATOM 639 CB LYS A 44 15.445 -5.280 -6.264 1.00 0.00 C ATOM 640 CG LYS A 44 15.277 -5.101 -4.765 1.00 0.00 C ATOM 641 CD LYS A 44 14.820 -3.694 -4.420 1.00 0.00 C ATOM 642 CE LYS A 44 15.990 -2.723 -4.372 1.00 0.00 C ATOM 643 NZ LYS A 44 16.753 -2.837 -3.099 1.00 0.00 N ATOM 0 H LYS A 44 14.261 -7.436 -6.389 1.00 0.00 H new ATOM 0 HA LYS A 44 13.376 -4.783 -6.567 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.067 -6.156 -6.449 1.00 0.00 H new ATOM 0 HB3 LYS A 44 15.979 -4.419 -6.667 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.551 -5.823 -4.390 1.00 0.00 H new ATOM 0 HG3 LYS A 44 16.222 -5.311 -4.264 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.094 -3.355 -5.159 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.312 -3.702 -3.455 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.656 -2.915 -5.213 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.621 -1.704 -4.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.532 -2.147 -3.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.120 -2.646 -2.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.141 -3.798 -3.012 1.00 0.00 H new ATOM 657 N LYS A 45 14.992 -5.893 -9.232 1.00 0.00 N ATOM 658 CA LYS A 45 15.234 -5.635 -10.647 1.00 0.00 C ATOM 659 C LYS A 45 13.971 -5.120 -11.330 1.00 0.00 C ATOM 660 O LYS A 45 14.016 -4.155 -12.093 1.00 0.00 O ATOM 661 CB LYS A 45 15.719 -6.909 -11.343 1.00 0.00 C ATOM 662 CG LYS A 45 17.134 -7.308 -10.964 1.00 0.00 C ATOM 663 CD LYS A 45 17.611 -8.505 -11.769 1.00 0.00 C ATOM 664 CE LYS A 45 18.070 -8.094 -13.160 1.00 0.00 C ATOM 665 NZ LYS A 45 18.103 -9.251 -14.098 1.00 0.00 N ATOM 0 H LYS A 45 15.394 -6.765 -8.888 1.00 0.00 H new ATOM 0 HA LYS A 45 16.006 -4.869 -10.724 1.00 0.00 H new ATOM 0 HB2 LYS A 45 15.042 -7.727 -11.098 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.668 -6.765 -12.422 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.807 -6.466 -11.129 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.174 -7.544 -9.901 1.00 0.00 H new ATOM 0 HD2 LYS A 45 18.431 -8.994 -11.244 1.00 0.00 H new ATOM 0 HD3 LYS A 45 16.805 -9.234 -11.851 1.00 0.00 H new ATOM 0 HE2 LYS A 45 17.401 -7.328 -13.552 1.00 0.00 H new ATOM 0 HE3 LYS A 45 19.063 -7.648 -13.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 18.421 -8.930 -15.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 18.761 -9.971 -13.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 17.150 -9.661 -14.177 1.00 0.00 H new ATOM 679 N VAL A 46 12.845 -5.768 -11.048 1.00 0.00 N ATOM 680 CA VAL A 46 11.569 -5.372 -11.633 1.00 0.00 C ATOM 681 C VAL A 46 10.940 -4.223 -10.855 1.00 0.00 C ATOM 682 O VAL A 46 10.326 -3.328 -11.437 1.00 0.00 O ATOM 683 CB VAL A 46 10.580 -6.553 -11.673 1.00 0.00 C ATOM 684 CG1 VAL A 46 9.181 -6.067 -12.021 1.00 0.00 C ATOM 685 CG2 VAL A 46 11.049 -7.607 -12.664 1.00 0.00 C ATOM 0 H VAL A 46 12.790 -6.569 -10.419 1.00 0.00 H new ATOM 0 HA VAL A 46 11.776 -5.046 -12.652 1.00 0.00 H new ATOM 0 HB VAL A 46 10.545 -7.008 -10.683 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.497 -6.915 -12.045 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.847 -5.352 -11.269 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.196 -5.585 -12.999 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.339 -8.434 -12.679 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.115 -7.167 -13.659 1.00 0.00 H new ATOM 0 HG23 VAL A 46 12.030 -7.977 -12.365 1.00 0.00 H new ATOM 695 N ILE A 47 11.097 -4.253 -9.536 1.00 0.00 N ATOM 696 CA ILE A 47 10.546 -3.212 -8.677 1.00 0.00 C ATOM 697 C ILE A 47 11.632 -2.243 -8.220 1.00 0.00 C ATOM 698 O ILE A 47 12.485 -2.590 -7.403 1.00 0.00 O ATOM 699 CB ILE A 47 9.854 -3.811 -7.439 1.00 0.00 C ATOM 700 CG1 ILE A 47 8.701 -4.723 -7.863 1.00 0.00 C ATOM 701 CG2 ILE A 47 9.353 -2.704 -6.524 1.00 0.00 C ATOM 702 CD1 ILE A 47 7.675 -4.033 -8.733 1.00 0.00 C ATOM 0 H ILE A 47 11.601 -4.987 -9.039 1.00 0.00 H new ATOM 0 HA ILE A 47 9.808 -2.672 -9.270 1.00 0.00 H new ATOM 0 HB ILE A 47 10.581 -4.408 -6.889 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.105 -5.580 -8.402 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.208 -5.111 -6.971 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.866 -3.144 -5.654 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.194 -2.092 -6.199 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.639 -2.082 -7.063 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.887 -4.739 -8.996 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.243 -3.193 -8.189 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.154 -3.669 -9.642 1.00 0.00 H new ATOM 714 N LYS A 48 11.594 -1.027 -8.752 1.00 0.00 N ATOM 715 CA LYS A 48 12.573 -0.005 -8.398 1.00 0.00 C ATOM 716 C LYS A 48 12.498 0.327 -6.911 1.00 0.00 C ATOM 717 O LYS A 48 13.521 0.408 -6.230 1.00 0.00 O ATOM 718 CB LYS A 48 12.342 1.261 -9.226 1.00 0.00 C ATOM 719 CG LYS A 48 12.656 1.087 -10.702 1.00 0.00 C ATOM 720 CD LYS A 48 14.131 1.311 -10.989 1.00 0.00 C ATOM 721 CE LYS A 48 14.371 1.639 -12.454 1.00 0.00 C ATOM 722 NZ LYS A 48 14.248 0.433 -13.320 1.00 0.00 N ATOM 0 H LYS A 48 10.895 -0.724 -9.431 1.00 0.00 H new ATOM 0 HA LYS A 48 13.566 -0.398 -8.616 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.303 1.571 -9.118 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.958 2.065 -8.824 1.00 0.00 H new ATOM 0 HG2 LYS A 48 12.371 0.084 -11.020 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.060 1.788 -11.287 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.504 2.125 -10.367 1.00 0.00 H new ATOM 0 HD3 LYS A 48 14.695 0.418 -10.718 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.655 2.394 -12.779 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.365 2.071 -12.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.419 0.698 -14.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.948 -0.278 -13.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.291 0.036 -13.228 1.00 0.00 H new ATOM 736 N LYS A 49 11.281 0.518 -6.412 1.00 0.00 N ATOM 737 CA LYS A 49 11.072 0.838 -5.005 1.00 0.00 C ATOM 738 C LYS A 49 9.939 0.002 -4.419 1.00 0.00 C ATOM 739 O LYS A 49 8.764 0.359 -4.505 1.00 0.00 O ATOM 740 CB LYS A 49 10.759 2.327 -4.842 1.00 0.00 C ATOM 741 CG LYS A 49 11.996 3.197 -4.700 1.00 0.00 C ATOM 742 CD LYS A 49 11.654 4.674 -4.797 1.00 0.00 C ATOM 743 CE LYS A 49 11.167 5.222 -3.464 1.00 0.00 C ATOM 744 NZ LYS A 49 10.898 6.685 -3.531 1.00 0.00 N ATOM 0 H LYS A 49 10.424 0.457 -6.962 1.00 0.00 H new ATOM 0 HA LYS A 49 11.989 0.604 -4.464 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.184 2.665 -5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.127 2.463 -3.964 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.475 2.996 -3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.715 2.938 -5.477 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.533 5.231 -5.122 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.885 4.821 -5.555 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.258 4.699 -3.166 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.914 5.025 -2.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.568 7.020 -2.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.771 7.187 -3.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.166 6.871 -4.246 1.00 0.00 H new ATOM 758 N PRO A 50 10.297 -1.137 -3.808 1.00 0.00 N ATOM 759 CA PRO A 50 9.325 -2.046 -3.194 1.00 0.00 C ATOM 760 C PRO A 50 8.693 -1.456 -1.938 1.00 0.00 C ATOM 761 O PRO A 50 9.260 -1.538 -0.849 1.00 0.00 O ATOM 762 CB PRO A 50 10.163 -3.277 -2.843 1.00 0.00 C ATOM 763 CG PRO A 50 11.552 -2.759 -2.691 1.00 0.00 C ATOM 764 CD PRO A 50 11.680 -1.624 -3.669 1.00 0.00 C ATOM 0 HA PRO A 50 8.489 -2.259 -3.860 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.812 -3.746 -1.923 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.106 -4.032 -3.627 1.00 0.00 H new ATOM 0 HG2 PRO A 50 11.732 -2.418 -1.672 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.284 -3.539 -2.900 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.345 -0.845 -3.296 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.086 -1.960 -4.623 1.00 0.00 H new ATOM 772 N MET A 51 7.515 -0.861 -2.098 1.00 0.00 N ATOM 773 CA MET A 51 6.805 -0.258 -0.975 1.00 0.00 C ATOM 774 C MET A 51 5.782 -1.230 -0.395 1.00 0.00 C ATOM 775 O MET A 51 5.388 -2.195 -1.049 1.00 0.00 O ATOM 776 CB MET A 51 6.109 1.030 -1.417 1.00 0.00 C ATOM 777 CG MET A 51 5.501 1.817 -0.267 1.00 0.00 C ATOM 778 SD MET A 51 6.704 2.210 1.018 1.00 0.00 S ATOM 779 CE MET A 51 7.966 3.042 0.058 1.00 0.00 C ATOM 0 H MET A 51 7.032 -0.783 -2.993 1.00 0.00 H new ATOM 0 HA MET A 51 7.534 -0.020 -0.201 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.828 1.661 -1.939 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.325 0.783 -2.132 1.00 0.00 H new ATOM 0 HG2 MET A 51 5.071 2.742 -0.652 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.684 1.243 0.169 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.630 3.590 0.727 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.542 2.305 -0.502 1.00 0.00 H new ATOM 0 HE3 MET A 51 7.495 3.738 -0.636 1.00 0.00 H new ATOM 789 N ASP A 52 5.356 -0.968 0.836 1.00 0.00 N ATOM 790 CA ASP A 52 4.378 -1.818 1.504 1.00 0.00 C ATOM 791 C ASP A 52 3.653 -1.051 2.605 1.00 0.00 C ATOM 792 O ASP A 52 4.205 -0.124 3.197 1.00 0.00 O ATOM 793 CB ASP A 52 5.062 -3.054 2.091 1.00 0.00 C ATOM 794 CG ASP A 52 6.154 -3.595 1.189 1.00 0.00 C ATOM 795 OD1 ASP A 52 7.240 -2.981 1.137 1.00 0.00 O ATOM 796 OD2 ASP A 52 5.922 -4.633 0.535 1.00 0.00 O ATOM 0 H ASP A 52 5.673 -0.173 1.391 1.00 0.00 H new ATOM 0 HA ASP A 52 3.643 -2.136 0.764 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.488 -2.803 3.062 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.317 -3.831 2.261 1.00 0.00 H new ATOM 801 N PHE A 53 2.413 -1.444 2.875 1.00 0.00 N ATOM 802 CA PHE A 53 1.611 -0.793 3.904 1.00 0.00 C ATOM 803 C PHE A 53 2.297 -0.879 5.264 1.00 0.00 C ATOM 804 O PHE A 53 2.373 0.108 5.996 1.00 0.00 O ATOM 805 CB PHE A 53 0.222 -1.432 3.979 1.00 0.00 C ATOM 806 CG PHE A 53 -0.571 -1.292 2.712 1.00 0.00 C ATOM 807 CD1 PHE A 53 -0.541 -0.112 1.986 1.00 0.00 C ATOM 808 CD2 PHE A 53 -1.348 -2.340 2.246 1.00 0.00 C ATOM 809 CE1 PHE A 53 -1.271 0.020 0.820 1.00 0.00 C ATOM 810 CE2 PHE A 53 -2.080 -2.215 1.080 1.00 0.00 C ATOM 811 CZ PHE A 53 -2.041 -1.033 0.366 1.00 0.00 C ATOM 0 H PHE A 53 1.941 -2.211 2.395 1.00 0.00 H new ATOM 0 HA PHE A 53 1.506 0.258 3.636 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.330 -2.491 4.215 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.335 -0.977 4.799 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.060 0.714 2.336 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.382 -3.266 2.801 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.239 0.946 0.264 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.681 -3.040 0.728 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.612 -0.932 -0.545 1.00 0.00 H new ATOM 821 N SER A 54 2.795 -2.066 5.595 1.00 0.00 N ATOM 822 CA SER A 54 3.472 -2.283 6.868 1.00 0.00 C ATOM 823 C SER A 54 4.568 -1.244 7.085 1.00 0.00 C ATOM 824 O SER A 54 4.869 -0.868 8.219 1.00 0.00 O ATOM 825 CB SER A 54 4.069 -3.690 6.919 1.00 0.00 C ATOM 826 OG SER A 54 5.081 -3.779 7.908 1.00 0.00 O ATOM 0 H SER A 54 2.742 -2.892 4.999 1.00 0.00 H new ATOM 0 HA SER A 54 2.736 -2.180 7.665 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.283 -4.414 7.132 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.484 -3.948 5.945 1.00 0.00 H new ATOM 0 HG SER A 54 5.446 -4.688 7.922 1.00 0.00 H new ATOM 832 N THR A 55 5.162 -0.782 5.989 1.00 0.00 N ATOM 833 CA THR A 55 6.226 0.212 6.058 1.00 0.00 C ATOM 834 C THR A 55 5.660 1.626 6.010 1.00 0.00 C ATOM 835 O THR A 55 5.862 2.417 6.932 1.00 0.00 O ATOM 836 CB THR A 55 7.235 0.035 4.907 1.00 0.00 C ATOM 837 OG1 THR A 55 7.850 -1.255 4.988 1.00 0.00 O ATOM 838 CG2 THR A 55 8.304 1.116 4.954 1.00 0.00 C ATOM 0 H THR A 55 4.924 -1.080 5.043 1.00 0.00 H new ATOM 0 HA THR A 55 6.739 0.061 7.008 1.00 0.00 H new ATOM 0 HB THR A 55 6.695 0.120 3.964 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.488 -1.360 4.252 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.005 0.971 4.132 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.835 2.096 4.862 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.839 1.058 5.902 1.00 0.00 H new ATOM 846 N ILE A 56 4.951 1.939 4.931 1.00 0.00 N ATOM 847 CA ILE A 56 4.354 3.258 4.765 1.00 0.00 C ATOM 848 C ILE A 56 3.799 3.781 6.085 1.00 0.00 C ATOM 849 O ILE A 56 3.893 4.972 6.382 1.00 0.00 O ATOM 850 CB ILE A 56 3.225 3.238 3.718 1.00 0.00 C ATOM 851 CG1 ILE A 56 3.796 2.971 2.324 1.00 0.00 C ATOM 852 CG2 ILE A 56 2.459 4.552 3.740 1.00 0.00 C ATOM 853 CD1 ILE A 56 2.736 2.796 1.259 1.00 0.00 C ATOM 0 H ILE A 56 4.776 1.297 4.158 1.00 0.00 H new ATOM 0 HA ILE A 56 5.147 3.921 4.419 1.00 0.00 H new ATOM 0 HB ILE A 56 2.534 2.433 3.967 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.448 3.798 2.043 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.415 2.075 2.360 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.664 4.522 2.994 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.024 4.703 4.728 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.139 5.373 3.513 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.214 2.610 0.297 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.098 1.951 1.516 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.132 3.701 1.195 1.00 0.00 H new ATOM 865 N ARG A 57 3.222 2.881 6.875 1.00 0.00 N ATOM 866 CA ARG A 57 2.652 3.251 8.165 1.00 0.00 C ATOM 867 C ARG A 57 3.718 3.849 9.079 1.00 0.00 C ATOM 868 O ARG A 57 3.540 4.936 9.627 1.00 0.00 O ATOM 869 CB ARG A 57 2.017 2.031 8.835 1.00 0.00 C ATOM 870 CG ARG A 57 0.546 1.849 8.499 1.00 0.00 C ATOM 871 CD ARG A 57 -0.306 2.946 9.118 1.00 0.00 C ATOM 872 NE ARG A 57 -0.208 2.960 10.575 1.00 0.00 N ATOM 873 CZ ARG A 57 -0.949 2.196 11.369 1.00 0.00 C ATOM 874 NH1 ARG A 57 -1.838 1.361 10.850 1.00 0.00 N ATOM 875 NH2 ARG A 57 -0.801 2.265 12.686 1.00 0.00 N ATOM 0 H ARG A 57 3.137 1.891 6.644 1.00 0.00 H new ATOM 0 HA ARG A 57 1.883 4.003 7.992 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.563 1.137 8.535 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.126 2.123 9.916 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.416 1.852 7.417 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.207 0.877 8.858 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.007 3.913 8.725 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.347 2.805 8.826 1.00 0.00 H new ATOM 0 HE ARG A 57 0.467 3.591 11.007 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -1.954 1.304 9.838 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.406 0.775 11.462 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.117 2.906 13.090 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.371 1.678 13.295 1.00 0.00 H new ATOM 889 N GLU A 58 4.825 3.131 9.238 1.00 0.00 N ATOM 890 CA GLU A 58 5.918 3.590 10.087 1.00 0.00 C ATOM 891 C GLU A 58 6.303 5.027 9.747 1.00 0.00 C ATOM 892 O GLU A 58 6.519 5.852 10.636 1.00 0.00 O ATOM 893 CB GLU A 58 7.134 2.675 9.931 1.00 0.00 C ATOM 894 CG GLU A 58 6.868 1.235 10.339 1.00 0.00 C ATOM 895 CD GLU A 58 8.103 0.361 10.233 1.00 0.00 C ATOM 896 OE1 GLU A 58 8.867 0.293 11.218 1.00 0.00 O ATOM 897 OE2 GLU A 58 8.305 -0.254 9.165 1.00 0.00 O ATOM 0 H GLU A 58 4.989 2.229 8.790 1.00 0.00 H new ATOM 0 HA GLU A 58 5.578 3.557 11.122 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.462 2.695 8.892 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.954 3.069 10.532 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.500 1.214 11.365 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.080 0.822 9.709 1.00 0.00 H new ATOM 904 N LYS A 59 6.388 5.321 8.454 1.00 0.00 N ATOM 905 CA LYS A 59 6.747 6.657 7.994 1.00 0.00 C ATOM 906 C LYS A 59 5.603 7.639 8.231 1.00 0.00 C ATOM 907 O LYS A 59 5.760 8.628 8.949 1.00 0.00 O ATOM 908 CB LYS A 59 7.107 6.628 6.507 1.00 0.00 C ATOM 909 CG LYS A 59 8.424 5.930 6.214 1.00 0.00 C ATOM 910 CD LYS A 59 8.585 5.643 4.731 1.00 0.00 C ATOM 911 CE LYS A 59 8.927 6.904 3.952 1.00 0.00 C ATOM 912 NZ LYS A 59 7.712 7.703 3.631 1.00 0.00 N ATOM 0 H LYS A 59 6.213 4.651 7.705 1.00 0.00 H new ATOM 0 HA LYS A 59 7.614 6.990 8.565 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.310 6.127 5.958 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.156 7.651 6.134 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.251 6.552 6.557 1.00 0.00 H new ATOM 0 HG3 LYS A 59 8.474 4.996 6.774 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.370 4.901 4.586 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.663 5.212 4.341 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.620 7.513 4.533 1.00 0.00 H new ATOM 0 HE3 LYS A 59 9.438 6.633 3.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.827 8.151 2.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.880 7.079 3.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.579 8.438 4.355 1.00 0.00 H new ATOM 926 N LEU A 60 4.454 7.359 7.626 1.00 0.00 N ATOM 927 CA LEU A 60 3.284 8.217 7.773 1.00 0.00 C ATOM 928 C LEU A 60 3.201 8.788 9.185 1.00 0.00 C ATOM 929 O LEU A 60 3.200 10.004 9.374 1.00 0.00 O ATOM 930 CB LEU A 60 2.010 7.434 7.451 1.00 0.00 C ATOM 931 CG LEU A 60 0.848 8.247 6.879 1.00 0.00 C ATOM 932 CD1 LEU A 60 -0.462 7.490 7.035 1.00 0.00 C ATOM 933 CD2 LEU A 60 0.764 9.607 7.556 1.00 0.00 C ATOM 0 H LEU A 60 4.308 6.545 7.029 1.00 0.00 H new ATOM 0 HA LEU A 60 3.381 9.046 7.072 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.261 6.647 6.740 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.669 6.943 8.363 1.00 0.00 H new ATOM 0 HG LEU A 60 1.029 8.403 5.816 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.277 8.084 6.622 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.399 6.541 6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.650 7.301 8.092 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.069 10.172 7.136 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.608 9.472 8.626 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.693 10.153 7.391 1.00 0.00 H new ATOM 945 N SER A 61 3.133 7.902 10.173 1.00 0.00 N ATOM 946 CA SER A 61 3.048 8.317 11.568 1.00 0.00 C ATOM 947 C SER A 61 4.297 9.091 11.981 1.00 0.00 C ATOM 948 O SER A 61 4.213 10.092 12.692 1.00 0.00 O ATOM 949 CB SER A 61 2.867 7.099 12.475 1.00 0.00 C ATOM 950 OG SER A 61 2.501 7.490 13.787 1.00 0.00 O ATOM 0 H SER A 61 3.135 6.892 10.033 1.00 0.00 H new ATOM 0 HA SER A 61 2.183 8.972 11.674 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.101 6.444 12.060 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.793 6.525 12.508 1.00 0.00 H new ATOM 0 HG SER A 61 2.390 6.693 14.347 1.00 0.00 H new ATOM 956 N SER A 62 5.454 8.619 11.529 1.00 0.00 N ATOM 957 CA SER A 62 6.722 9.264 11.854 1.00 0.00 C ATOM 958 C SER A 62 6.795 10.658 11.240 1.00 0.00 C ATOM 959 O SER A 62 7.723 11.420 11.511 1.00 0.00 O ATOM 960 CB SER A 62 7.892 8.413 11.358 1.00 0.00 C ATOM 961 OG SER A 62 9.132 8.963 11.768 1.00 0.00 O ATOM 0 H SER A 62 5.540 7.793 10.937 1.00 0.00 H new ATOM 0 HA SER A 62 6.786 9.360 12.938 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.796 7.398 11.743 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.862 8.346 10.270 1.00 0.00 H new ATOM 0 HG SER A 62 9.050 9.937 11.841 1.00 0.00 H new ATOM 967 N GLY A 63 5.809 10.985 10.410 1.00 0.00 N ATOM 968 CA GLY A 63 5.780 12.287 9.770 1.00 0.00 C ATOM 969 C GLY A 63 6.914 12.473 8.781 1.00 0.00 C ATOM 970 O GLY A 63 7.566 13.516 8.764 1.00 0.00 O ATOM 0 H GLY A 63 5.030 10.372 10.170 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.828 12.414 9.254 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.836 13.064 10.532 1.00 0.00 H new ATOM 974 N GLN A 64 7.150 11.457 7.957 1.00 0.00 N ATOM 975 CA GLN A 64 8.215 11.513 6.963 1.00 0.00 C ATOM 976 C GLN A 64 7.725 12.168 5.676 1.00 0.00 C ATOM 977 O GLN A 64 8.510 12.441 4.768 1.00 0.00 O ATOM 978 CB GLN A 64 8.739 10.106 6.666 1.00 0.00 C ATOM 979 CG GLN A 64 9.393 9.436 7.863 1.00 0.00 C ATOM 980 CD GLN A 64 10.487 8.466 7.463 1.00 0.00 C ATOM 981 OE1 GLN A 64 10.757 8.271 6.277 1.00 0.00 O ATOM 982 NE2 GLN A 64 11.126 7.853 8.452 1.00 0.00 N ATOM 0 H GLN A 64 6.619 10.586 7.958 1.00 0.00 H new ATOM 0 HA GLN A 64 9.026 12.117 7.370 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.913 9.485 6.319 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.461 10.161 5.851 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.812 10.200 8.518 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.634 8.905 8.437 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.870 8.044 9.421 1.00 0.00 H new ATOM 0 HE22 GLN A 64 11.873 7.191 8.243 1.00 0.00 H new ATOM 991 N TYR A 65 6.422 12.416 5.604 1.00 0.00 N ATOM 992 CA TYR A 65 5.826 13.036 4.426 1.00 0.00 C ATOM 993 C TYR A 65 5.598 14.527 4.653 1.00 0.00 C ATOM 994 O TYR A 65 4.826 14.939 5.519 1.00 0.00 O ATOM 995 CB TYR A 65 4.502 12.353 4.079 1.00 0.00 C ATOM 996 CG TYR A 65 4.645 10.882 3.761 1.00 0.00 C ATOM 997 CD1 TYR A 65 5.319 10.460 2.621 1.00 0.00 C ATOM 998 CD2 TYR A 65 4.105 9.914 4.599 1.00 0.00 C ATOM 999 CE1 TYR A 65 5.452 9.117 2.326 1.00 0.00 C ATOM 1000 CE2 TYR A 65 4.234 8.569 4.312 1.00 0.00 C ATOM 1001 CZ TYR A 65 4.908 8.175 3.175 1.00 0.00 C ATOM 1002 OH TYR A 65 5.038 6.836 2.885 1.00 0.00 O ATOM 0 H TYR A 65 5.758 12.197 6.347 1.00 0.00 H new ATOM 0 HA TYR A 65 6.518 12.915 3.593 1.00 0.00 H new ATOM 0 HB2 TYR A 65 3.812 12.470 4.915 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.055 12.859 3.224 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.746 11.195 1.954 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.576 10.218 5.490 1.00 0.00 H new ATOM 0 HE1 TYR A 65 5.979 8.806 1.436 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.809 7.830 4.975 1.00 0.00 H new ATOM 0 HH TYR A 65 5.616 6.726 2.102 1.00 0.00 H new ATOM 1012 N PRO A 66 6.284 15.358 3.854 1.00 0.00 N ATOM 1013 CA PRO A 66 6.173 16.817 3.947 1.00 0.00 C ATOM 1014 C PRO A 66 4.816 17.326 3.473 1.00 0.00 C ATOM 1015 O PRO A 66 4.419 18.447 3.787 1.00 0.00 O ATOM 1016 CB PRO A 66 7.285 17.317 3.021 1.00 0.00 C ATOM 1017 CG PRO A 66 7.492 16.210 2.045 1.00 0.00 C ATOM 1018 CD PRO A 66 7.222 14.937 2.800 1.00 0.00 C ATOM 0 HA PRO A 66 6.265 17.168 4.975 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.996 18.240 2.518 1.00 0.00 H new ATOM 0 HB3 PRO A 66 8.198 17.530 3.578 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.819 16.309 1.194 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.508 16.222 1.651 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.786 14.173 2.156 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.136 14.517 3.220 1.00 0.00 H new ATOM 1026 N ASN A 67 4.109 16.494 2.715 1.00 0.00 N ATOM 1027 CA ASN A 67 2.796 16.861 2.197 1.00 0.00 C ATOM 1028 C ASN A 67 2.026 15.625 1.741 1.00 0.00 C ATOM 1029 O ASN A 67 2.560 14.515 1.734 1.00 0.00 O ATOM 1030 CB ASN A 67 2.939 17.844 1.034 1.00 0.00 C ATOM 1031 CG ASN A 67 3.446 17.176 -0.229 1.00 0.00 C ATOM 1032 OD1 ASN A 67 2.901 17.380 -1.314 1.00 0.00 O ATOM 1033 ND2 ASN A 67 4.494 16.372 -0.093 1.00 0.00 N ATOM 0 H ASN A 67 4.423 15.562 2.446 1.00 0.00 H new ATOM 0 HA ASN A 67 2.237 17.340 3.001 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.973 18.308 0.834 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.624 18.643 1.319 1.00 0.00 H new ATOM 0 HD21 ASN A 67 4.879 15.894 -0.908 1.00 0.00 H new ATOM 0 HD22 ASN A 67 4.914 16.232 0.826 1.00 0.00 H new ATOM 1040 N LEU A 68 0.769 15.825 1.360 1.00 0.00 N ATOM 1041 CA LEU A 68 -0.074 14.727 0.901 1.00 0.00 C ATOM 1042 C LEU A 68 0.497 14.093 -0.364 1.00 0.00 C ATOM 1043 O LEU A 68 0.510 12.871 -0.504 1.00 0.00 O ATOM 1044 CB LEU A 68 -1.496 15.227 0.637 1.00 0.00 C ATOM 1045 CG LEU A 68 -2.183 15.940 1.802 1.00 0.00 C ATOM 1046 CD1 LEU A 68 -3.367 16.755 1.305 1.00 0.00 C ATOM 1047 CD2 LEU A 68 -2.629 14.936 2.855 1.00 0.00 C ATOM 0 H LEU A 68 0.312 16.737 1.360 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.100 13.970 1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.468 15.908 -0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.111 14.376 0.345 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.465 16.621 2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.844 17.255 2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.021 17.500 0.589 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.086 16.094 0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.116 15.462 3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.330 14.230 2.410 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.761 14.396 3.234 1.00 0.00 H new ATOM 1059 N GLU A 69 0.969 14.933 -1.279 1.00 0.00 N ATOM 1060 CA GLU A 69 1.543 14.454 -2.531 1.00 0.00 C ATOM 1061 C GLU A 69 2.471 13.268 -2.285 1.00 0.00 C ATOM 1062 O GLU A 69 2.164 12.136 -2.660 1.00 0.00 O ATOM 1063 CB GLU A 69 2.308 15.579 -3.231 1.00 0.00 C ATOM 1064 CG GLU A 69 2.599 15.298 -4.696 1.00 0.00 C ATOM 1065 CD GLU A 69 3.434 16.385 -5.344 1.00 0.00 C ATOM 1066 OE1 GLU A 69 3.109 17.576 -5.151 1.00 0.00 O ATOM 1067 OE2 GLU A 69 4.411 16.046 -6.043 1.00 0.00 O ATOM 0 H GLU A 69 0.965 15.948 -1.177 1.00 0.00 H new ATOM 0 HA GLU A 69 0.726 14.126 -3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.732 16.501 -3.154 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.250 15.747 -2.708 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.120 14.345 -4.783 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.658 15.197 -5.237 1.00 0.00 H new ATOM 1074 N THR A 70 3.609 13.536 -1.653 1.00 0.00 N ATOM 1075 CA THR A 70 4.584 12.494 -1.358 1.00 0.00 C ATOM 1076 C THR A 70 3.899 11.226 -0.860 1.00 0.00 C ATOM 1077 O THR A 70 4.118 10.139 -1.395 1.00 0.00 O ATOM 1078 CB THR A 70 5.605 12.961 -0.303 1.00 0.00 C ATOM 1079 OG1 THR A 70 4.922 13.442 0.860 1.00 0.00 O ATOM 1080 CG2 THR A 70 6.498 14.057 -0.863 1.00 0.00 C ATOM 0 H THR A 70 3.878 14.467 -1.335 1.00 0.00 H new ATOM 0 HA THR A 70 5.108 12.279 -2.289 1.00 0.00 H new ATOM 0 HB THR A 70 6.229 12.110 -0.031 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.084 13.873 0.592 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.211 14.371 -0.100 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.038 13.678 -1.731 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.886 14.909 -1.160 1.00 0.00 H new ATOM 1088 N PHE A 71 3.069 11.372 0.167 1.00 0.00 N ATOM 1089 CA PHE A 71 2.352 10.238 0.738 1.00 0.00 C ATOM 1090 C PHE A 71 1.672 9.419 -0.355 1.00 0.00 C ATOM 1091 O PHE A 71 1.760 8.192 -0.372 1.00 0.00 O ATOM 1092 CB PHE A 71 1.312 10.722 1.750 1.00 0.00 C ATOM 1093 CG PHE A 71 0.385 9.639 2.223 1.00 0.00 C ATOM 1094 CD1 PHE A 71 0.755 8.796 3.259 1.00 0.00 C ATOM 1095 CD2 PHE A 71 -0.855 9.462 1.631 1.00 0.00 C ATOM 1096 CE1 PHE A 71 -0.096 7.798 3.696 1.00 0.00 C ATOM 1097 CE2 PHE A 71 -1.710 8.466 2.064 1.00 0.00 C ATOM 1098 CZ PHE A 71 -1.329 7.632 3.097 1.00 0.00 C ATOM 0 H PHE A 71 2.876 12.265 0.621 1.00 0.00 H new ATOM 0 HA PHE A 71 3.076 9.602 1.248 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.826 11.150 2.610 1.00 0.00 H new ATOM 0 HB3 PHE A 71 0.724 11.522 1.300 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.719 8.920 3.730 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.157 10.110 0.822 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.203 7.149 4.505 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.675 8.340 1.595 1.00 0.00 H new ATOM 0 HZ PHE A 71 -1.994 6.851 3.436 1.00 0.00 H new ATOM 1108 N ALA A 72 0.992 10.108 -1.266 1.00 0.00 N ATOM 1109 CA ALA A 72 0.298 9.446 -2.363 1.00 0.00 C ATOM 1110 C ALA A 72 1.273 8.666 -3.239 1.00 0.00 C ATOM 1111 O ALA A 72 1.059 7.487 -3.527 1.00 0.00 O ATOM 1112 CB ALA A 72 -0.465 10.465 -3.197 1.00 0.00 C ATOM 0 H ALA A 72 0.907 11.124 -1.266 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.412 8.738 -1.936 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.979 9.956 -4.013 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.196 10.974 -2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.233 11.195 -3.607 1.00 0.00 H new ATOM 1118 N LEU A 73 2.343 9.331 -3.661 1.00 0.00 N ATOM 1119 CA LEU A 73 3.351 8.700 -4.506 1.00 0.00 C ATOM 1120 C LEU A 73 3.613 7.264 -4.062 1.00 0.00 C ATOM 1121 O LEU A 73 3.544 6.333 -4.865 1.00 0.00 O ATOM 1122 CB LEU A 73 4.653 9.503 -4.466 1.00 0.00 C ATOM 1123 CG LEU A 73 4.722 10.714 -5.397 1.00 0.00 C ATOM 1124 CD1 LEU A 73 5.050 10.279 -6.816 1.00 0.00 C ATOM 1125 CD2 LEU A 73 3.413 11.489 -5.363 1.00 0.00 C ATOM 0 H LEU A 73 2.535 10.306 -3.432 1.00 0.00 H new ATOM 0 HA LEU A 73 2.973 8.682 -5.528 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.814 9.846 -3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.477 8.833 -4.711 1.00 0.00 H new ATOM 0 HG LEU A 73 5.519 11.371 -5.048 1.00 0.00 H new ATOM 0 HD11 LEU A 73 5.095 11.154 -7.464 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.014 9.770 -6.827 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.277 9.600 -7.176 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.481 12.347 -6.032 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.598 10.841 -5.686 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.221 11.835 -4.347 1.00 0.00 H new ATOM 1137 N ASP A 74 3.910 7.092 -2.779 1.00 0.00 N ATOM 1138 CA ASP A 74 4.178 5.769 -2.227 1.00 0.00 C ATOM 1139 C ASP A 74 2.961 4.861 -2.377 1.00 0.00 C ATOM 1140 O ASP A 74 3.058 3.760 -2.921 1.00 0.00 O ATOM 1141 CB ASP A 74 4.570 5.878 -0.753 1.00 0.00 C ATOM 1142 CG ASP A 74 5.774 6.773 -0.538 1.00 0.00 C ATOM 1143 OD1 ASP A 74 5.816 7.865 -1.142 1.00 0.00 O ATOM 1144 OD2 ASP A 74 6.676 6.381 0.232 1.00 0.00 O ATOM 0 H ASP A 74 3.971 7.852 -2.101 1.00 0.00 H new ATOM 0 HA ASP A 74 5.006 5.331 -2.784 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.726 6.267 -0.184 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.786 4.883 -0.363 1.00 0.00 H new ATOM 1149 N VAL A 75 1.816 5.329 -1.890 1.00 0.00 N ATOM 1150 CA VAL A 75 0.580 4.559 -1.970 1.00 0.00 C ATOM 1151 C VAL A 75 0.336 4.056 -3.388 1.00 0.00 C ATOM 1152 O VAL A 75 0.221 2.853 -3.620 1.00 0.00 O ATOM 1153 CB VAL A 75 -0.632 5.395 -1.518 1.00 0.00 C ATOM 1154 CG1 VAL A 75 -1.907 4.569 -1.586 1.00 0.00 C ATOM 1155 CG2 VAL A 75 -0.412 5.935 -0.112 1.00 0.00 C ATOM 0 H VAL A 75 1.719 6.237 -1.436 1.00 0.00 H new ATOM 0 HA VAL A 75 0.695 3.707 -1.300 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.740 6.242 -2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.752 5.177 -1.263 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.071 4.236 -2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.814 3.701 -0.933 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -1.278 6.523 0.191 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.277 5.104 0.580 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.477 6.565 -0.099 1.00 0.00 H new ATOM 1165 N ARG A 76 0.259 4.986 -4.334 1.00 0.00 N ATOM 1166 CA ARG A 76 0.029 4.638 -5.731 1.00 0.00 C ATOM 1167 C ARG A 76 1.028 3.585 -6.201 1.00 0.00 C ATOM 1168 O ARG A 76 0.672 2.655 -6.927 1.00 0.00 O ATOM 1169 CB ARG A 76 0.131 5.883 -6.614 1.00 0.00 C ATOM 1170 CG ARG A 76 -0.779 7.018 -6.173 1.00 0.00 C ATOM 1171 CD ARG A 76 -0.338 8.348 -6.765 1.00 0.00 C ATOM 1172 NE ARG A 76 -1.384 9.363 -6.669 1.00 0.00 N ATOM 1173 CZ ARG A 76 -1.162 10.663 -6.830 1.00 0.00 C ATOM 1174 NH1 ARG A 76 0.060 11.103 -7.093 1.00 0.00 N ATOM 1175 NH2 ARG A 76 -2.166 11.526 -6.727 1.00 0.00 N ATOM 0 H ARG A 76 0.353 5.986 -4.158 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.976 4.224 -5.814 1.00 0.00 H new ATOM 0 HB2 ARG A 76 1.163 6.235 -6.614 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -0.113 5.611 -7.641 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.803 6.804 -6.479 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.778 7.085 -5.085 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.555 8.697 -6.247 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.065 8.207 -7.811 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.336 9.057 -6.468 1.00 0.00 H new ATOM 0 HH11 ARG A 76 0.834 10.443 -7.172 1.00 0.00 H new ATOM 0 HH12 ARG A 76 0.227 12.102 -7.216 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.108 11.191 -6.524 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.995 12.524 -6.851 1.00 0.00 H new ATOM 1189 N LEU A 77 2.280 3.737 -5.784 1.00 0.00 N ATOM 1190 CA LEU A 77 3.332 2.800 -6.162 1.00 0.00 C ATOM 1191 C LEU A 77 3.026 1.399 -5.642 1.00 0.00 C ATOM 1192 O LEU A 77 3.362 0.402 -6.280 1.00 0.00 O ATOM 1193 CB LEU A 77 4.682 3.274 -5.622 1.00 0.00 C ATOM 1194 CG LEU A 77 5.836 2.276 -5.730 1.00 0.00 C ATOM 1195 CD1 LEU A 77 6.232 2.073 -7.185 1.00 0.00 C ATOM 1196 CD2 LEU A 77 7.029 2.748 -4.912 1.00 0.00 C ATOM 0 H LEU A 77 2.592 4.501 -5.184 1.00 0.00 H new ATOM 0 HA LEU A 77 3.377 2.761 -7.250 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.964 4.184 -6.152 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.557 3.542 -4.573 1.00 0.00 H new ATOM 0 HG LEU A 77 5.502 1.319 -5.328 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.054 1.360 -7.242 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.379 1.689 -7.744 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.547 3.025 -7.613 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.840 2.025 -5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.364 3.717 -5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.739 2.841 -3.865 1.00 0.00 H new ATOM 1208 N VAL A 78 2.385 1.332 -4.480 1.00 0.00 N ATOM 1209 CA VAL A 78 2.030 0.053 -3.875 1.00 0.00 C ATOM 1210 C VAL A 78 1.177 -0.784 -4.821 1.00 0.00 C ATOM 1211 O VAL A 78 1.472 -1.952 -5.071 1.00 0.00 O ATOM 1212 CB VAL A 78 1.267 0.251 -2.552 1.00 0.00 C ATOM 1213 CG1 VAL A 78 0.852 -1.092 -1.969 1.00 0.00 C ATOM 1214 CG2 VAL A 78 2.115 1.033 -1.560 1.00 0.00 C ATOM 0 H VAL A 78 2.101 2.148 -3.938 1.00 0.00 H new ATOM 0 HA VAL A 78 2.964 -0.472 -3.672 1.00 0.00 H new ATOM 0 HB VAL A 78 0.364 0.826 -2.756 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.314 -0.932 -1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 78 0.205 -1.611 -2.676 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.739 -1.696 -1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.560 1.164 -0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.036 0.486 -1.359 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.357 2.010 -1.979 1.00 0.00 H new ATOM 1224 N PHE A 79 0.116 -0.178 -5.345 1.00 0.00 N ATOM 1225 CA PHE A 79 -0.782 -0.868 -6.264 1.00 0.00 C ATOM 1226 C PHE A 79 -0.139 -1.021 -7.640 1.00 0.00 C ATOM 1227 O PHE A 79 -0.466 -1.941 -8.390 1.00 0.00 O ATOM 1228 CB PHE A 79 -2.103 -0.106 -6.388 1.00 0.00 C ATOM 1229 CG PHE A 79 -2.681 0.309 -5.066 1.00 0.00 C ATOM 1230 CD1 PHE A 79 -3.008 -0.638 -4.109 1.00 0.00 C ATOM 1231 CD2 PHE A 79 -2.898 1.648 -4.780 1.00 0.00 C ATOM 1232 CE1 PHE A 79 -3.541 -0.258 -2.892 1.00 0.00 C ATOM 1233 CE2 PHE A 79 -3.431 2.033 -3.564 1.00 0.00 C ATOM 1234 CZ PHE A 79 -3.752 1.079 -2.619 1.00 0.00 C ATOM 0 H PHE A 79 -0.143 0.789 -5.149 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.980 -1.862 -5.862 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -1.945 0.781 -7.001 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.826 -0.731 -6.912 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.844 -1.685 -4.317 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -2.648 2.399 -5.515 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.792 -1.006 -2.155 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.596 3.079 -3.353 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.167 1.378 -1.668 1.00 0.00 H new ATOM 1244 N ASP A 80 0.776 -0.114 -7.963 1.00 0.00 N ATOM 1245 CA ASP A 80 1.465 -0.148 -9.248 1.00 0.00 C ATOM 1246 C ASP A 80 2.449 -1.313 -9.306 1.00 0.00 C ATOM 1247 O ASP A 80 2.298 -2.225 -10.118 1.00 0.00 O ATOM 1248 CB ASP A 80 2.202 1.171 -9.490 1.00 0.00 C ATOM 1249 CG ASP A 80 2.799 1.253 -10.881 1.00 0.00 C ATOM 1250 OD1 ASP A 80 3.659 0.409 -11.209 1.00 0.00 O ATOM 1251 OD2 ASP A 80 2.405 2.161 -11.642 1.00 0.00 O ATOM 0 H ASP A 80 1.058 0.654 -7.353 1.00 0.00 H new ATOM 0 HA ASP A 80 0.718 -0.287 -10.030 1.00 0.00 H new ATOM 0 HB2 ASP A 80 1.512 2.002 -9.344 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.995 1.282 -8.750 1.00 0.00 H new ATOM 1256 N ASN A 81 3.456 -1.274 -8.441 1.00 0.00 N ATOM 1257 CA ASN A 81 4.466 -2.326 -8.395 1.00 0.00 C ATOM 1258 C ASN A 81 3.821 -3.704 -8.513 1.00 0.00 C ATOM 1259 O ASN A 81 4.299 -4.563 -9.254 1.00 0.00 O ATOM 1260 CB ASN A 81 5.268 -2.235 -7.096 1.00 0.00 C ATOM 1261 CG ASN A 81 6.440 -1.279 -7.206 1.00 0.00 C ATOM 1262 OD1 ASN A 81 6.830 -0.881 -8.304 1.00 0.00 O ATOM 1263 ND2 ASN A 81 7.009 -0.906 -6.065 1.00 0.00 N ATOM 0 H ASN A 81 3.595 -0.526 -7.762 1.00 0.00 H new ATOM 0 HA ASN A 81 5.140 -2.186 -9.240 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.612 -1.909 -6.289 1.00 0.00 H new ATOM 0 HB3 ASN A 81 5.635 -3.226 -6.828 1.00 0.00 H new ATOM 0 HD21 ASN A 81 7.802 -0.265 -6.076 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.653 -1.261 -5.178 1.00 0.00 H new ATOM 1270 N CYS A 82 2.734 -3.907 -7.777 1.00 0.00 N ATOM 1271 CA CYS A 82 2.023 -5.180 -7.798 1.00 0.00 C ATOM 1272 C CYS A 82 1.551 -5.516 -9.209 1.00 0.00 C ATOM 1273 O CYS A 82 1.843 -6.590 -9.732 1.00 0.00 O ATOM 1274 CB CYS A 82 0.829 -5.138 -6.844 1.00 0.00 C ATOM 1275 SG CYS A 82 -0.471 -6.332 -7.234 1.00 0.00 S ATOM 0 H CYS A 82 2.326 -3.206 -7.158 1.00 0.00 H new ATOM 0 HA CYS A 82 2.712 -5.958 -7.470 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.182 -5.320 -5.829 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.402 -4.135 -6.858 1.00 0.00 H new ATOM 0 HG CYS A 82 -1.436 -6.221 -6.370 1.00 0.00 H new ATOM 1281 N GLU A 83 0.817 -4.589 -9.818 1.00 0.00 N ATOM 1282 CA GLU A 83 0.302 -4.789 -11.167 1.00 0.00 C ATOM 1283 C GLU A 83 1.420 -5.203 -12.121 1.00 0.00 C ATOM 1284 O GLU A 83 1.173 -5.838 -13.147 1.00 0.00 O ATOM 1285 CB GLU A 83 -0.369 -3.511 -11.675 1.00 0.00 C ATOM 1286 CG GLU A 83 -0.782 -3.579 -13.136 1.00 0.00 C ATOM 1287 CD GLU A 83 -1.912 -4.561 -13.377 1.00 0.00 C ATOM 1288 OE1 GLU A 83 -2.166 -5.403 -12.491 1.00 0.00 O ATOM 1289 OE2 GLU A 83 -2.543 -4.486 -14.452 1.00 0.00 O ATOM 0 H GLU A 83 0.566 -3.694 -9.399 1.00 0.00 H new ATOM 0 HA GLU A 83 -0.437 -5.590 -11.131 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -1.250 -3.307 -11.066 1.00 0.00 H new ATOM 0 HB3 GLU A 83 0.314 -2.673 -11.538 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.090 -2.588 -13.469 1.00 0.00 H new ATOM 0 HG3 GLU A 83 0.079 -3.866 -13.740 1.00 0.00 H new ATOM 1296 N THR A 84 2.650 -4.838 -11.774 1.00 0.00 N ATOM 1297 CA THR A 84 3.806 -5.169 -12.599 1.00 0.00 C ATOM 1298 C THR A 84 4.299 -6.583 -12.312 1.00 0.00 C ATOM 1299 O THR A 84 4.182 -7.474 -13.154 1.00 0.00 O ATOM 1300 CB THR A 84 4.962 -4.178 -12.368 1.00 0.00 C ATOM 1301 OG1 THR A 84 4.542 -2.849 -12.698 1.00 0.00 O ATOM 1302 CG2 THR A 84 6.173 -4.555 -13.208 1.00 0.00 C ATOM 0 H THR A 84 2.872 -4.313 -10.928 1.00 0.00 H new ATOM 0 HA THR A 84 3.483 -5.104 -13.638 1.00 0.00 H new ATOM 0 HB THR A 84 5.242 -4.219 -11.315 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.282 -2.225 -12.547 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.977 -3.841 -13.028 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.508 -5.555 -12.934 1.00 0.00 H new ATOM 0 HG23 THR A 84 5.903 -4.539 -14.264 1.00 0.00 H new ATOM 1310 N PHE A 85 4.849 -6.782 -11.119 1.00 0.00 N ATOM 1311 CA PHE A 85 5.360 -8.089 -10.722 1.00 0.00 C ATOM 1312 C PHE A 85 4.245 -9.131 -10.719 1.00 0.00 C ATOM 1313 O PHE A 85 4.369 -10.189 -11.334 1.00 0.00 O ATOM 1314 CB PHE A 85 6.002 -8.009 -9.335 1.00 0.00 C ATOM 1315 CG PHE A 85 7.032 -9.074 -9.090 1.00 0.00 C ATOM 1316 CD1 PHE A 85 8.323 -8.933 -9.575 1.00 0.00 C ATOM 1317 CD2 PHE A 85 6.711 -10.216 -8.374 1.00 0.00 C ATOM 1318 CE1 PHE A 85 9.274 -9.910 -9.350 1.00 0.00 C ATOM 1319 CE2 PHE A 85 7.657 -11.196 -8.146 1.00 0.00 C ATOM 1320 CZ PHE A 85 8.940 -11.044 -8.635 1.00 0.00 C ATOM 0 H PHE A 85 4.952 -6.055 -10.411 1.00 0.00 H new ATOM 0 HA PHE A 85 6.115 -8.392 -11.448 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.467 -7.030 -9.214 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.222 -8.087 -8.577 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.589 -8.049 -10.135 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.709 -10.341 -7.990 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.277 -9.787 -9.732 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.394 -12.081 -7.586 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.681 -11.810 -8.459 1.00 0.00 H new ATOM 1330 N ASN A 86 3.157 -8.823 -10.022 1.00 0.00 N ATOM 1331 CA ASN A 86 2.020 -9.732 -9.938 1.00 0.00 C ATOM 1332 C ASN A 86 1.098 -9.564 -11.141 1.00 0.00 C ATOM 1333 O ASN A 86 1.112 -8.528 -11.805 1.00 0.00 O ATOM 1334 CB ASN A 86 1.239 -9.488 -8.645 1.00 0.00 C ATOM 1335 CG ASN A 86 2.023 -9.892 -7.411 1.00 0.00 C ATOM 1336 OD1 ASN A 86 2.003 -11.053 -7.003 1.00 0.00 O ATOM 1337 ND2 ASN A 86 2.717 -8.933 -6.810 1.00 0.00 N ATOM 0 H ASN A 86 3.038 -7.951 -9.507 1.00 0.00 H new ATOM 0 HA ASN A 86 2.403 -10.752 -9.936 1.00 0.00 H new ATOM 0 HB2 ASN A 86 0.977 -8.432 -8.576 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.304 -10.047 -8.677 1.00 0.00 H new ATOM 0 HD21 ASN A 86 3.263 -9.145 -5.975 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.705 -7.984 -7.183 1.00 0.00 H new ATOM 1344 N GLU A 87 0.298 -10.589 -11.415 1.00 0.00 N ATOM 1345 CA GLU A 87 -0.631 -10.554 -12.539 1.00 0.00 C ATOM 1346 C GLU A 87 -2.056 -10.296 -12.060 1.00 0.00 C ATOM 1347 O GLU A 87 -2.527 -10.925 -11.112 1.00 0.00 O ATOM 1348 CB GLU A 87 -0.574 -11.869 -13.318 1.00 0.00 C ATOM 1349 CG GLU A 87 0.458 -11.872 -14.434 1.00 0.00 C ATOM 1350 CD GLU A 87 0.993 -13.259 -14.731 1.00 0.00 C ATOM 1351 OE1 GLU A 87 0.185 -14.142 -15.087 1.00 0.00 O ATOM 1352 OE2 GLU A 87 2.219 -13.463 -14.606 1.00 0.00 O ATOM 0 H GLU A 87 0.274 -11.454 -10.875 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.334 -9.737 -13.197 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.351 -12.682 -12.627 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.557 -12.073 -13.743 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.011 -11.458 -15.338 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.286 -11.218 -14.160 1.00 0.00 H new ATOM 1359 N ASP A 88 -2.737 -9.366 -12.720 1.00 0.00 N ATOM 1360 CA ASP A 88 -4.109 -9.024 -12.362 1.00 0.00 C ATOM 1361 C ASP A 88 -4.962 -10.280 -12.217 1.00 0.00 C ATOM 1362 O ASP A 88 -5.816 -10.363 -11.335 1.00 0.00 O ATOM 1363 CB ASP A 88 -4.718 -8.098 -13.417 1.00 0.00 C ATOM 1364 CG ASP A 88 -4.238 -8.421 -14.818 1.00 0.00 C ATOM 1365 OD1 ASP A 88 -3.766 -9.557 -15.036 1.00 0.00 O ATOM 1366 OD2 ASP A 88 -4.335 -7.539 -15.696 1.00 0.00 O ATOM 0 H ASP A 88 -2.362 -8.835 -13.506 1.00 0.00 H new ATOM 0 HA ASP A 88 -4.090 -8.507 -11.403 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -5.805 -8.177 -13.381 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.465 -7.065 -13.179 1.00 0.00 H new ATOM 1371 N ASP A 89 -4.725 -11.254 -13.089 1.00 0.00 N ATOM 1372 CA ASP A 89 -5.471 -12.506 -13.058 1.00 0.00 C ATOM 1373 C ASP A 89 -5.227 -13.252 -11.750 1.00 0.00 C ATOM 1374 O ASP A 89 -6.086 -13.997 -11.279 1.00 0.00 O ATOM 1375 CB ASP A 89 -5.078 -13.388 -14.244 1.00 0.00 C ATOM 1376 CG ASP A 89 -3.588 -13.356 -14.520 1.00 0.00 C ATOM 1377 OD1 ASP A 89 -2.857 -14.176 -13.926 1.00 0.00 O ATOM 1378 OD2 ASP A 89 -3.152 -12.511 -15.329 1.00 0.00 O ATOM 0 H ASP A 89 -4.022 -11.200 -13.826 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.533 -12.269 -13.127 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -5.386 -14.415 -14.047 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -5.616 -13.058 -15.133 1.00 0.00 H new ATOM 1383 N SER A 90 -4.049 -13.047 -11.168 1.00 0.00 N ATOM 1384 CA SER A 90 -3.690 -13.704 -9.917 1.00 0.00 C ATOM 1385 C SER A 90 -4.349 -13.009 -8.730 1.00 0.00 C ATOM 1386 O SER A 90 -4.668 -11.821 -8.790 1.00 0.00 O ATOM 1387 CB SER A 90 -2.170 -13.712 -9.739 1.00 0.00 C ATOM 1388 OG SER A 90 -1.711 -12.474 -9.224 1.00 0.00 O ATOM 0 H SER A 90 -3.328 -12.431 -11.543 1.00 0.00 H new ATOM 0 HA SER A 90 -4.049 -14.732 -9.959 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.884 -14.519 -9.064 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.689 -13.912 -10.697 1.00 0.00 H new ATOM 0 HG SER A 90 -1.667 -11.815 -9.948 1.00 0.00 H new ATOM 1394 N ASP A 91 -4.550 -13.758 -7.651 1.00 0.00 N ATOM 1395 CA ASP A 91 -5.171 -13.215 -6.448 1.00 0.00 C ATOM 1396 C ASP A 91 -4.629 -11.823 -6.139 1.00 0.00 C ATOM 1397 O ASP A 91 -5.368 -10.839 -6.168 1.00 0.00 O ATOM 1398 CB ASP A 91 -4.928 -14.146 -5.259 1.00 0.00 C ATOM 1399 CG ASP A 91 -5.596 -15.496 -5.435 1.00 0.00 C ATOM 1400 OD1 ASP A 91 -6.769 -15.526 -5.863 1.00 0.00 O ATOM 1401 OD2 ASP A 91 -4.946 -16.522 -5.144 1.00 0.00 O ATOM 0 H ASP A 91 -4.292 -14.743 -7.585 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.244 -13.137 -6.625 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.856 -14.289 -5.126 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.302 -13.675 -4.350 1.00 0.00 H new ATOM 1406 N ILE A 92 -3.336 -11.749 -5.842 1.00 0.00 N ATOM 1407 CA ILE A 92 -2.697 -10.478 -5.527 1.00 0.00 C ATOM 1408 C ILE A 92 -3.079 -9.404 -6.540 1.00 0.00 C ATOM 1409 O ILE A 92 -3.592 -8.347 -6.176 1.00 0.00 O ATOM 1410 CB ILE A 92 -1.163 -10.612 -5.493 1.00 0.00 C ATOM 1411 CG1 ILE A 92 -0.718 -11.298 -4.199 1.00 0.00 C ATOM 1412 CG2 ILE A 92 -0.508 -9.246 -5.626 1.00 0.00 C ATOM 1413 CD1 ILE A 92 0.749 -11.105 -3.887 1.00 0.00 C ATOM 0 H ILE A 92 -2.711 -12.554 -5.813 1.00 0.00 H new ATOM 0 HA ILE A 92 -3.050 -10.184 -4.539 1.00 0.00 H new ATOM 0 HB ILE A 92 -0.848 -11.227 -6.336 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.311 -10.912 -3.370 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.928 -12.365 -4.272 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.576 -9.358 -5.600 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.803 -8.791 -6.572 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.826 -8.608 -4.802 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.994 -11.618 -2.957 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.351 -11.517 -4.697 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.962 -10.041 -3.781 1.00 0.00 H new ATOM 1425 N GLY A 93 -2.828 -9.685 -7.815 1.00 0.00 N ATOM 1426 CA GLY A 93 -3.153 -8.734 -8.862 1.00 0.00 C ATOM 1427 C GLY A 93 -4.511 -8.091 -8.660 1.00 0.00 C ATOM 1428 O GLY A 93 -4.604 -6.897 -8.376 1.00 0.00 O ATOM 0 H GLY A 93 -2.405 -10.554 -8.141 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.388 -7.958 -8.894 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.134 -9.240 -9.827 1.00 0.00 H new ATOM 1432 N ARG A 94 -5.567 -8.884 -8.807 1.00 0.00 N ATOM 1433 CA ARG A 94 -6.927 -8.385 -8.641 1.00 0.00 C ATOM 1434 C ARG A 94 -7.038 -7.515 -7.392 1.00 0.00 C ATOM 1435 O ARG A 94 -7.471 -6.365 -7.461 1.00 0.00 O ATOM 1436 CB ARG A 94 -7.914 -9.550 -8.553 1.00 0.00 C ATOM 1437 CG ARG A 94 -7.956 -10.409 -9.807 1.00 0.00 C ATOM 1438 CD ARG A 94 -9.278 -11.149 -9.931 1.00 0.00 C ATOM 1439 NE ARG A 94 -10.278 -10.367 -10.652 1.00 0.00 N ATOM 1440 CZ ARG A 94 -10.318 -10.267 -11.976 1.00 0.00 C ATOM 1441 NH1 ARG A 94 -9.418 -10.897 -12.719 1.00 0.00 N ATOM 1442 NH2 ARG A 94 -11.259 -9.535 -12.560 1.00 0.00 N ATOM 0 H ARG A 94 -5.507 -9.875 -9.041 1.00 0.00 H new ATOM 0 HA ARG A 94 -7.172 -7.776 -9.511 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.648 -10.177 -7.702 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -8.912 -9.156 -8.359 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.806 -9.781 -10.685 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.136 -11.127 -9.785 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.117 -12.095 -10.447 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.654 -11.389 -8.936 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.985 -9.870 -10.109 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.693 -11.460 -12.274 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.451 -10.819 -13.735 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -11.953 -9.048 -11.992 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -11.288 -9.459 -13.577 1.00 0.00 H new ATOM 1456 N ALA A 95 -6.644 -8.072 -6.252 1.00 0.00 N ATOM 1457 CA ALA A 95 -6.698 -7.348 -4.988 1.00 0.00 C ATOM 1458 C ALA A 95 -6.226 -5.908 -5.161 1.00 0.00 C ATOM 1459 O ALA A 95 -6.908 -4.968 -4.755 1.00 0.00 O ATOM 1460 CB ALA A 95 -5.859 -8.058 -3.936 1.00 0.00 C ATOM 0 H ALA A 95 -6.284 -9.023 -6.178 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.735 -7.326 -4.654 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.909 -7.506 -2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -6.243 -9.067 -3.784 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.823 -8.111 -4.271 1.00 0.00 H new ATOM 1466 N GLY A 96 -5.053 -5.743 -5.765 1.00 0.00 N ATOM 1467 CA GLY A 96 -4.510 -4.414 -5.980 1.00 0.00 C ATOM 1468 C GLY A 96 -5.471 -3.508 -6.724 1.00 0.00 C ATOM 1469 O GLY A 96 -5.653 -2.348 -6.354 1.00 0.00 O ATOM 0 H GLY A 96 -4.469 -6.505 -6.109 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -4.264 -3.965 -5.018 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -3.580 -4.492 -6.543 1.00 0.00 H new ATOM 1473 N HIS A 97 -6.086 -4.037 -7.776 1.00 0.00 N ATOM 1474 CA HIS A 97 -7.033 -3.268 -8.575 1.00 0.00 C ATOM 1475 C HIS A 97 -8.190 -2.769 -7.715 1.00 0.00 C ATOM 1476 O HIS A 97 -8.671 -1.651 -7.892 1.00 0.00 O ATOM 1477 CB HIS A 97 -7.569 -4.117 -9.728 1.00 0.00 C ATOM 1478 CG HIS A 97 -6.639 -4.189 -10.901 1.00 0.00 C ATOM 1479 ND1 HIS A 97 -6.783 -3.402 -12.024 1.00 0.00 N ATOM 1480 CD2 HIS A 97 -5.548 -4.960 -11.120 1.00 0.00 C ATOM 1481 CE1 HIS A 97 -5.821 -3.687 -12.884 1.00 0.00 C ATOM 1482 NE2 HIS A 97 -5.058 -4.629 -12.359 1.00 0.00 N ATOM 0 H HIS A 97 -5.946 -4.995 -8.095 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.508 -2.405 -8.984 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.763 -5.127 -9.366 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -8.524 -3.708 -10.057 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -7.517 -2.709 -12.168 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -5.139 -5.698 -10.446 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -5.682 -3.228 -13.852 1.00 0.00 H new ATOM 1490 N ASN A 98 -8.633 -3.607 -6.783 1.00 0.00 N ATOM 1491 CA ASN A 98 -9.735 -3.252 -5.896 1.00 0.00 C ATOM 1492 C ASN A 98 -9.318 -2.151 -4.926 1.00 0.00 C ATOM 1493 O ASN A 98 -10.078 -1.219 -4.665 1.00 0.00 O ATOM 1494 CB ASN A 98 -10.208 -4.481 -5.118 1.00 0.00 C ATOM 1495 CG ASN A 98 -11.300 -5.241 -5.846 1.00 0.00 C ATOM 1496 OD1 ASN A 98 -11.821 -4.780 -6.861 1.00 0.00 O ATOM 1497 ND2 ASN A 98 -11.652 -6.412 -5.328 1.00 0.00 N ATOM 0 H ASN A 98 -8.246 -4.537 -6.623 1.00 0.00 H new ATOM 0 HA ASN A 98 -10.557 -2.881 -6.508 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.361 -5.145 -4.943 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -10.576 -4.169 -4.140 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -12.382 -6.968 -5.774 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -11.193 -6.755 -4.484 1.00 0.00 H new ATOM 1504 N MET A 99 -8.105 -2.266 -4.394 1.00 0.00 N ATOM 1505 CA MET A 99 -7.587 -1.279 -3.453 1.00 0.00 C ATOM 1506 C MET A 99 -7.372 0.066 -4.140 1.00 0.00 C ATOM 1507 O MET A 99 -7.538 1.120 -3.526 1.00 0.00 O ATOM 1508 CB MET A 99 -6.274 -1.769 -2.841 1.00 0.00 C ATOM 1509 CG MET A 99 -6.416 -3.056 -2.046 1.00 0.00 C ATOM 1510 SD MET A 99 -7.752 -2.982 -0.836 1.00 0.00 S ATOM 1511 CE MET A 99 -7.259 -1.553 0.125 1.00 0.00 C ATOM 0 H MET A 99 -7.463 -3.032 -4.598 1.00 0.00 H new ATOM 0 HA MET A 99 -8.323 -1.147 -2.659 1.00 0.00 H new ATOM 0 HB2 MET A 99 -5.546 -1.923 -3.638 1.00 0.00 H new ATOM 0 HB3 MET A 99 -5.874 -0.992 -2.190 1.00 0.00 H new ATOM 0 HG2 MET A 99 -6.597 -3.884 -2.732 1.00 0.00 H new ATOM 0 HG3 MET A 99 -5.478 -3.267 -1.533 1.00 0.00 H new ATOM 0 HE1 MET A 99 -7.449 -1.742 1.182 1.00 0.00 H new ATOM 0 HE2 MET A 99 -6.196 -1.363 -0.024 1.00 0.00 H new ATOM 0 HE3 MET A 99 -7.832 -0.683 -0.197 1.00 0.00 H new ATOM 1521 N ARG A 100 -7.001 0.021 -5.415 1.00 0.00 N ATOM 1522 CA ARG A 100 -6.761 1.237 -6.184 1.00 0.00 C ATOM 1523 C ARG A 100 -8.052 2.032 -6.360 1.00 0.00 C ATOM 1524 O ARG A 100 -8.110 3.220 -6.042 1.00 0.00 O ATOM 1525 CB ARG A 100 -6.172 0.892 -7.553 1.00 0.00 C ATOM 1526 CG ARG A 100 -5.438 2.050 -8.209 1.00 0.00 C ATOM 1527 CD ARG A 100 -5.341 1.867 -9.715 1.00 0.00 C ATOM 1528 NE ARG A 100 -4.174 1.075 -10.096 1.00 0.00 N ATOM 1529 CZ ARG A 100 -4.071 0.427 -11.251 1.00 0.00 C ATOM 1530 NH1 ARG A 100 -5.059 0.477 -12.133 1.00 0.00 N ATOM 1531 NH2 ARG A 100 -2.978 -0.273 -11.525 1.00 0.00 N ATOM 0 H ARG A 100 -6.860 -0.844 -5.938 1.00 0.00 H new ATOM 0 HA ARG A 100 -6.048 1.851 -5.633 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.485 0.053 -7.443 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -6.975 0.562 -8.212 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -5.956 2.983 -7.988 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.437 2.134 -7.786 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.245 1.379 -10.080 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.289 2.844 -10.196 1.00 0.00 H new ATOM 0 HE ARG A 100 -3.396 1.016 -9.439 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.901 1.014 -11.926 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -4.977 -0.021 -13.019 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -2.216 -0.314 -10.849 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -2.900 -0.770 -12.412 1.00 0.00 H new ATOM 1545 N LYS A 101 -9.085 1.369 -6.869 1.00 0.00 N ATOM 1546 CA LYS A 101 -10.375 2.012 -7.087 1.00 0.00 C ATOM 1547 C LYS A 101 -10.895 2.639 -5.798 1.00 0.00 C ATOM 1548 O LYS A 101 -11.688 3.580 -5.830 1.00 0.00 O ATOM 1549 CB LYS A 101 -11.390 0.997 -7.619 1.00 0.00 C ATOM 1550 CG LYS A 101 -11.735 -0.097 -6.624 1.00 0.00 C ATOM 1551 CD LYS A 101 -13.064 -0.755 -6.956 1.00 0.00 C ATOM 1552 CE LYS A 101 -13.677 -1.420 -5.734 1.00 0.00 C ATOM 1553 NZ LYS A 101 -14.051 -0.427 -4.690 1.00 0.00 N ATOM 0 H LYS A 101 -9.054 0.386 -7.138 1.00 0.00 H new ATOM 0 HA LYS A 101 -10.239 2.802 -7.825 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -12.303 1.522 -7.900 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.993 0.540 -8.526 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -10.946 -0.849 -6.621 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -11.777 0.324 -5.619 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.753 -0.008 -7.349 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -12.918 -1.497 -7.741 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -14.561 -1.983 -6.033 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.969 -2.136 -5.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -14.823 -0.810 -4.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -13.227 -0.230 -4.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.365 0.454 -5.145 1.00 0.00 H new ATOM 1567 N TYR A 102 -10.444 2.112 -4.665 1.00 0.00 N ATOM 1568 CA TYR A 102 -10.864 2.620 -3.365 1.00 0.00 C ATOM 1569 C TYR A 102 -10.027 3.828 -2.954 1.00 0.00 C ATOM 1570 O TYR A 102 -10.562 4.870 -2.575 1.00 0.00 O ATOM 1571 CB TYR A 102 -10.752 1.524 -2.304 1.00 0.00 C ATOM 1572 CG TYR A 102 -10.803 2.045 -0.886 1.00 0.00 C ATOM 1573 CD1 TYR A 102 -11.495 3.210 -0.578 1.00 0.00 C ATOM 1574 CD2 TYR A 102 -10.159 1.373 0.146 1.00 0.00 C ATOM 1575 CE1 TYR A 102 -11.544 3.691 0.716 1.00 0.00 C ATOM 1576 CE2 TYR A 102 -10.204 1.846 1.443 1.00 0.00 C ATOM 1577 CZ TYR A 102 -10.897 3.005 1.723 1.00 0.00 C ATOM 1578 OH TYR A 102 -10.943 3.480 3.014 1.00 0.00 O ATOM 0 H TYR A 102 -9.787 1.333 -4.621 1.00 0.00 H new ATOM 0 HA TYR A 102 -11.905 2.933 -3.446 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -11.560 0.807 -2.448 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -9.817 0.983 -2.450 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -12.003 3.749 -1.364 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -9.614 0.466 -0.070 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -12.086 4.599 0.938 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -9.699 1.311 2.234 1.00 0.00 H new ATOM 0 HH TYR A 102 -11.671 3.038 3.499 1.00 0.00 H new ATOM 1588 N PHE A 103 -8.709 3.680 -3.034 1.00 0.00 N ATOM 1589 CA PHE A 103 -7.795 4.757 -2.671 1.00 0.00 C ATOM 1590 C PHE A 103 -8.124 6.032 -3.441 1.00 0.00 C ATOM 1591 O PHE A 103 -8.066 7.132 -2.893 1.00 0.00 O ATOM 1592 CB PHE A 103 -6.348 4.341 -2.945 1.00 0.00 C ATOM 1593 CG PHE A 103 -5.342 5.396 -2.584 1.00 0.00 C ATOM 1594 CD1 PHE A 103 -5.274 5.893 -1.292 1.00 0.00 C ATOM 1595 CD2 PHE A 103 -4.466 5.891 -3.536 1.00 0.00 C ATOM 1596 CE1 PHE A 103 -4.349 6.864 -0.956 1.00 0.00 C ATOM 1597 CE2 PHE A 103 -3.539 6.862 -3.205 1.00 0.00 C ATOM 1598 CZ PHE A 103 -3.481 7.350 -1.914 1.00 0.00 C ATOM 0 H PHE A 103 -8.250 2.825 -3.347 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.913 4.956 -1.606 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -6.127 3.433 -2.384 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.243 4.096 -4.002 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -5.951 5.518 -0.539 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -4.508 5.515 -4.547 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -4.305 7.242 0.055 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -2.860 7.239 -3.956 1.00 0.00 H new ATOM 0 HZ PHE A 103 -2.759 8.110 -1.654 1.00 0.00 H new ATOM 1608 N GLU A 104 -8.471 5.874 -4.715 1.00 0.00 N ATOM 1609 CA GLU A 104 -8.808 7.014 -5.560 1.00 0.00 C ATOM 1610 C GLU A 104 -10.207 7.532 -5.241 1.00 0.00 C ATOM 1611 O GLU A 104 -10.378 8.679 -4.826 1.00 0.00 O ATOM 1612 CB GLU A 104 -8.721 6.624 -7.037 1.00 0.00 C ATOM 1613 CG GLU A 104 -7.319 6.244 -7.485 1.00 0.00 C ATOM 1614 CD GLU A 104 -7.285 5.707 -8.903 1.00 0.00 C ATOM 1615 OE1 GLU A 104 -8.082 6.185 -9.737 1.00 0.00 O ATOM 1616 OE2 GLU A 104 -6.463 4.809 -9.178 1.00 0.00 O ATOM 0 H GLU A 104 -8.526 4.970 -5.184 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.090 7.809 -5.358 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.392 5.786 -7.223 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -9.075 7.456 -7.645 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.670 7.117 -7.416 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -6.916 5.493 -6.806 1.00 0.00 H new ATOM 1623 N LYS A 105 -11.207 6.680 -5.439 1.00 0.00 N ATOM 1624 CA LYS A 105 -12.592 7.049 -5.173 1.00 0.00 C ATOM 1625 C LYS A 105 -12.726 7.709 -3.804 1.00 0.00 C ATOM 1626 O LYS A 105 -13.599 8.551 -3.592 1.00 0.00 O ATOM 1627 CB LYS A 105 -13.494 5.815 -5.246 1.00 0.00 C ATOM 1628 CG LYS A 105 -13.794 5.364 -6.665 1.00 0.00 C ATOM 1629 CD LYS A 105 -14.793 6.285 -7.343 1.00 0.00 C ATOM 1630 CE LYS A 105 -15.228 5.738 -8.694 1.00 0.00 C ATOM 1631 NZ LYS A 105 -16.004 4.475 -8.558 1.00 0.00 N ATOM 0 H LYS A 105 -11.084 5.728 -5.783 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.903 7.764 -5.934 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.019 4.996 -4.706 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.433 6.031 -4.736 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -12.870 5.339 -7.243 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -14.187 4.348 -6.649 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -15.666 6.411 -6.702 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.349 7.272 -7.475 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -15.835 6.483 -9.209 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -14.349 5.559 -9.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -16.493 4.270 -9.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.357 3.693 -8.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -16.704 4.578 -7.796 1.00 0.00 H new ATOM 1645 N LYS A 106 -11.855 7.323 -2.878 1.00 0.00 N ATOM 1646 CA LYS A 106 -11.873 7.878 -1.530 1.00 0.00 C ATOM 1647 C LYS A 106 -11.010 9.133 -1.448 1.00 0.00 C ATOM 1648 O LYS A 106 -11.491 10.205 -1.081 1.00 0.00 O ATOM 1649 CB LYS A 106 -11.379 6.839 -0.521 1.00 0.00 C ATOM 1650 CG LYS A 106 -10.965 7.435 0.813 1.00 0.00 C ATOM 1651 CD LYS A 106 -12.154 8.025 1.553 1.00 0.00 C ATOM 1652 CE LYS A 106 -12.780 7.012 2.499 1.00 0.00 C ATOM 1653 NZ LYS A 106 -13.868 6.237 1.842 1.00 0.00 N ATOM 0 H LYS A 106 -11.127 6.627 -3.037 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.901 8.148 -1.289 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.167 6.105 -0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -10.531 6.304 -0.949 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.498 6.665 1.427 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.216 8.210 0.650 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.835 8.902 2.116 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.900 8.363 0.834 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -12.012 6.327 2.857 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.179 7.529 3.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -14.778 6.468 2.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.907 6.482 0.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.680 5.219 1.945 1.00 0.00 H new ATOM 1667 N TRP A 107 -9.735 8.992 -1.791 1.00 0.00 N ATOM 1668 CA TRP A 107 -8.805 10.116 -1.757 1.00 0.00 C ATOM 1669 C TRP A 107 -9.421 11.352 -2.403 1.00 0.00 C ATOM 1670 O TRP A 107 -9.343 12.454 -1.860 1.00 0.00 O ATOM 1671 CB TRP A 107 -7.502 9.748 -2.468 1.00 0.00 C ATOM 1672 CG TRP A 107 -6.492 10.856 -2.467 1.00 0.00 C ATOM 1673 CD1 TRP A 107 -6.444 11.922 -3.319 1.00 0.00 C ATOM 1674 CD2 TRP A 107 -5.384 11.004 -1.572 1.00 0.00 C ATOM 1675 NE1 TRP A 107 -5.373 12.724 -3.008 1.00 0.00 N ATOM 1676 CE2 TRP A 107 -4.707 12.184 -1.940 1.00 0.00 C ATOM 1677 CE3 TRP A 107 -4.900 10.257 -0.495 1.00 0.00 C ATOM 1678 CZ2 TRP A 107 -3.572 12.630 -1.268 1.00 0.00 C ATOM 1679 CZ3 TRP A 107 -3.773 10.701 0.170 1.00 0.00 C ATOM 1680 CH2 TRP A 107 -3.119 11.879 -0.218 1.00 0.00 C ATOM 0 H TRP A 107 -9.321 8.111 -2.096 1.00 0.00 H new ATOM 0 HA TRP A 107 -8.588 10.345 -0.714 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -7.069 8.871 -1.987 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -7.724 9.470 -3.498 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -7.145 12.107 -4.120 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -5.115 13.583 -3.494 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -5.398 9.349 -0.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -3.067 13.537 -1.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -3.389 10.131 1.003 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -2.241 12.200 0.322 1.00 0.00 H new ATOM 1691 N THR A 108 -10.034 11.162 -3.568 1.00 0.00 N ATOM 1692 CA THR A 108 -10.663 12.261 -4.289 1.00 0.00 C ATOM 1693 C THR A 108 -11.814 12.858 -3.487 1.00 0.00 C ATOM 1694 O THR A 108 -12.155 14.030 -3.651 1.00 0.00 O ATOM 1695 CB THR A 108 -11.192 11.804 -5.661 1.00 0.00 C ATOM 1696 OG1 THR A 108 -11.445 12.941 -6.493 1.00 0.00 O ATOM 1697 CG2 THR A 108 -12.467 10.989 -5.506 1.00 0.00 C ATOM 0 H THR A 108 -10.108 10.257 -4.032 1.00 0.00 H new ATOM 0 HA THR A 108 -9.895 13.020 -4.438 1.00 0.00 H new ATOM 0 HB THR A 108 -10.433 11.176 -6.127 1.00 0.00 H new ATOM 0 HG1 THR A 108 -11.780 12.641 -7.364 1.00 0.00 H new ATOM 0 HG21 THR A 108 -12.821 10.678 -6.489 1.00 0.00 H new ATOM 0 HG22 THR A 108 -12.264 10.108 -4.897 1.00 0.00 H new ATOM 0 HG23 THR A 108 -13.231 11.597 -5.021 1.00 0.00 H new ATOM 1705 N ASP A 109 -12.408 12.046 -2.619 1.00 0.00 N ATOM 1706 CA ASP A 109 -13.520 12.495 -1.790 1.00 0.00 C ATOM 1707 C ASP A 109 -13.012 13.150 -0.509 1.00 0.00 C ATOM 1708 O ASP A 109 -13.702 13.971 0.098 1.00 0.00 O ATOM 1709 CB ASP A 109 -14.436 11.320 -1.448 1.00 0.00 C ATOM 1710 CG ASP A 109 -15.831 11.767 -1.058 1.00 0.00 C ATOM 1711 OD1 ASP A 109 -16.404 12.613 -1.775 1.00 0.00 O ATOM 1712 OD2 ASP A 109 -16.349 11.272 -0.035 1.00 0.00 O ATOM 0 H ASP A 109 -12.138 11.074 -2.471 1.00 0.00 H new ATOM 0 HA ASP A 109 -14.087 13.235 -2.355 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -14.499 10.651 -2.306 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -13.999 10.749 -0.629 1.00 0.00 H new ATOM 1717 N THR A 110 -11.802 12.782 -0.101 1.00 0.00 N ATOM 1718 CA THR A 110 -11.203 13.331 1.109 1.00 0.00 C ATOM 1719 C THR A 110 -10.712 14.756 0.881 1.00 0.00 C ATOM 1720 O THR A 110 -11.206 15.700 1.499 1.00 0.00 O ATOM 1721 CB THR A 110 -10.025 12.466 1.595 1.00 0.00 C ATOM 1722 OG1 THR A 110 -10.514 11.244 2.159 1.00 0.00 O ATOM 1723 CG2 THR A 110 -9.197 13.212 2.630 1.00 0.00 C ATOM 0 H THR A 110 -11.217 12.105 -0.591 1.00 0.00 H new ATOM 0 HA THR A 110 -11.980 13.335 1.873 1.00 0.00 H new ATOM 0 HB THR A 110 -9.390 12.242 0.738 1.00 0.00 H new ATOM 0 HG1 THR A 110 -10.103 11.102 3.037 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.371 12.581 2.958 1.00 0.00 H new ATOM 0 HG22 THR A 110 -8.802 14.127 2.189 1.00 0.00 H new ATOM 0 HG23 THR A 110 -9.824 13.463 3.485 1.00 0.00 H new ATOM 1731 N PHE A 111 -9.738 14.906 -0.010 1.00 0.00 N ATOM 1732 CA PHE A 111 -9.180 16.217 -0.319 1.00 0.00 C ATOM 1733 C PHE A 111 -9.915 16.858 -1.493 1.00 0.00 C ATOM 1734 O PHE A 111 -10.687 17.802 -1.317 1.00 0.00 O ATOM 1735 CB PHE A 111 -7.689 16.098 -0.641 1.00 0.00 C ATOM 1736 CG PHE A 111 -6.893 15.431 0.444 1.00 0.00 C ATOM 1737 CD1 PHE A 111 -6.555 16.121 1.597 1.00 0.00 C ATOM 1738 CD2 PHE A 111 -6.484 14.114 0.312 1.00 0.00 C ATOM 1739 CE1 PHE A 111 -5.823 15.510 2.598 1.00 0.00 C ATOM 1740 CE2 PHE A 111 -5.752 13.498 1.309 1.00 0.00 C ATOM 1741 CZ PHE A 111 -5.420 14.197 2.453 1.00 0.00 C ATOM 0 H PHE A 111 -9.319 14.136 -0.531 1.00 0.00 H new ATOM 0 HA PHE A 111 -9.306 16.853 0.557 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -7.569 15.535 -1.567 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -7.283 17.094 -0.819 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -6.867 17.148 1.715 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -6.740 13.562 -0.580 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -5.567 16.059 3.492 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.440 12.471 1.194 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.846 13.718 3.233 1.00 0.00 H new ATOM 1751 N LYS A 112 -9.670 16.339 -2.691 1.00 0.00 N ATOM 1752 CA LYS A 112 -10.308 16.858 -3.896 1.00 0.00 C ATOM 1753 C LYS A 112 -11.826 16.854 -3.752 1.00 0.00 C ATOM 1754 O LYS A 112 -12.549 17.186 -4.692 1.00 0.00 O ATOM 1755 CB LYS A 112 -9.898 16.027 -5.113 1.00 0.00 C ATOM 1756 CG LYS A 112 -8.554 16.426 -5.698 1.00 0.00 C ATOM 1757 CD LYS A 112 -7.411 16.081 -4.758 1.00 0.00 C ATOM 1758 CE LYS A 112 -6.088 16.638 -5.259 1.00 0.00 C ATOM 1759 NZ LYS A 112 -5.145 16.918 -4.142 1.00 0.00 N ATOM 0 H LYS A 112 -9.034 15.559 -2.854 1.00 0.00 H new ATOM 0 HA LYS A 112 -9.977 17.887 -4.038 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -9.863 14.975 -4.829 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -10.663 16.124 -5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -8.407 15.920 -6.652 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -8.548 17.497 -5.901 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -7.622 16.480 -3.766 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -7.336 14.998 -4.657 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -5.633 15.927 -5.949 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -6.269 17.555 -5.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -4.255 17.296 -4.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -5.568 17.615 -3.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -4.952 16.038 -3.622 1.00 0.00 H new TER 1773 LYS A 112