USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 832 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 TYR OH : rot -86:sc= 0.461 USER MOD Set 1.2: A 80 MET CE :methyl -164:sc= -0.374 (180deg=-1.56!) USER MOD Set 2.1: A 40 SER OG : rot 128:sc= 1.36 USER MOD Set 2.2: A 52 ASN : amide:sc= -0.552 K(o=0.81,f=-13!) USER MOD Set 3.1: A 39 HIS : no HD1:sc= -0.389 K(o=-0.52,f=-5!) USER MOD Set 3.2: A 56 ASN :FLIP amide:sc= -0.136 F(o=-1.5,f=-0.52) USER MOD Set 4.1: A 31 ASN : amide:sc= -3.55 K(o=-14,f=-15!) USER MOD Set 4.2: A 33 HIS : no HD1:sc= -10! C(o=-14!,f=-17!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -126:sc= -0.23 (180deg=-1.15) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -85:sc= 0.729 USER MOD Single : A -2 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0227) USER MOD Single : A -3 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -162:sc= -0.111 (180deg=-0.67) USER MOD Single : A 12 THR OG1 : rot -77:sc= 0.192 USER MOD Single : A 14 CYS SG : rot -121:sc= 0.308 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc= -0.401 USER MOD Single : A 18 HIS : no HE2:sc= -3.13 K(o=-3.1,f=-5.9!) USER MOD Single : A 19 THR OG1 : rot -47:sc= 0.625 USER MOD Single : A 22 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.561) USER MOD Single : A 26 HIS : no HD1:sc= -0.713 K(o=-0.71,f=-7.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -16.3! C(o=-16!,f=-20!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -140:sc= -2.41! USER MOD Single : A 49 THR OG1 : rot 131:sc= -1.92 USER MOD Single : A 54 LYS NZ :NH3+ -154:sc= -0.923 (180deg=-2.45) USER MOD Single : A 55 LYS NZ :NH3+ -161:sc= 0.108! (180deg=-0.603!) USER MOD Single : A 62 ASN : amide:sc= -0.0101 K(o=-0.01,f=-1.7!) USER MOD Single : A 63 ASN :FLIP amide:sc= -3.33! C(o=-5.1!,f=-3.3!) USER MOD Single : A 64 MET CE :methyl -112:sc= -1.1 (180deg=-6.43!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.377 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 71 HIS : no HD1:sc= -6.73! C(o=-6.7!,f=-12!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.725 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -160:sc= -0.197 (180deg=-0.914) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.375 X(o=-0.38,f=-0.25) USER MOD Single : A 96 THR OG1 : rot 120:sc= -0.83 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -140:sc= -0.548 (180deg=-1.39!) USER MOD Single : A 102 THR OG1 : rot -153:sc= -0.763 USER MOD ----------------------------------------------------------------- ATOM 32 N PHE A -3 12.713 -5.381 -5.181 1.00 0.00 N ATOM 33 CA PHE A -3 11.872 -5.652 -3.981 1.00 0.00 C ATOM 34 C PHE A -3 12.126 -7.077 -3.488 1.00 0.00 C ATOM 35 O PHE A -3 12.031 -8.028 -4.237 1.00 0.00 O ATOM 36 CB PHE A -3 10.395 -5.491 -4.352 1.00 0.00 C ATOM 37 CG PHE A -3 9.526 -6.188 -3.329 1.00 0.00 C ATOM 38 CD1 PHE A -3 9.750 -5.995 -1.959 1.00 0.00 C ATOM 39 CD2 PHE A -3 8.492 -7.030 -3.755 1.00 0.00 C ATOM 40 CE1 PHE A -3 8.941 -6.642 -1.020 1.00 0.00 C ATOM 41 CE2 PHE A -3 7.683 -7.677 -2.814 1.00 0.00 C ATOM 42 CZ PHE A -3 7.907 -7.484 -1.448 1.00 0.00 C ATOM 0 H1 PHE A -3 12.539 -4.412 -5.515 1.00 0.00 H new ATOM 0 H2 PHE A -3 13.717 -5.487 -4.932 1.00 0.00 H new ATOM 0 H3 PHE A -3 12.470 -6.056 -5.934 1.00 0.00 H new ATOM 0 HA PHE A -3 12.128 -4.948 -3.189 1.00 0.00 H new ATOM 0 HB2 PHE A -3 10.137 -4.433 -4.400 1.00 0.00 H new ATOM 0 HB3 PHE A -3 10.212 -5.909 -5.342 1.00 0.00 H new ATOM 0 HD1 PHE A -3 10.548 -5.346 -1.629 1.00 0.00 H new ATOM 0 HD2 PHE A -3 8.318 -7.180 -4.810 1.00 0.00 H new ATOM 0 HE1 PHE A -3 9.114 -6.492 0.036 1.00 0.00 H new ATOM 0 HE2 PHE A -3 6.885 -8.326 -3.144 1.00 0.00 H new ATOM 0 HZ PHE A -3 7.283 -7.984 -0.722 1.00 0.00 H new ATOM 52 N LYS A -2 12.447 -7.230 -2.231 1.00 0.00 N ATOM 53 CA LYS A -2 12.706 -8.588 -1.682 1.00 0.00 C ATOM 54 C LYS A -2 11.548 -8.999 -0.772 1.00 0.00 C ATOM 55 O LYS A -2 10.966 -8.182 -0.087 1.00 0.00 O ATOM 56 CB LYS A -2 14.007 -8.573 -0.875 1.00 0.00 C ATOM 57 CG LYS A -2 15.180 -8.251 -1.802 1.00 0.00 C ATOM 58 CD LYS A -2 16.492 -8.350 -1.021 1.00 0.00 C ATOM 59 CE LYS A -2 17.653 -7.912 -1.914 1.00 0.00 C ATOM 60 NZ LYS A -2 17.703 -6.423 -1.967 1.00 0.00 N ATOM 0 H LYS A -2 12.541 -6.468 -1.560 1.00 0.00 H new ATOM 0 HA LYS A -2 12.795 -9.300 -2.502 1.00 0.00 H new ATOM 0 HB2 LYS A -2 13.945 -7.831 -0.079 1.00 0.00 H new ATOM 0 HB3 LYS A -2 14.162 -9.541 -0.398 1.00 0.00 H new ATOM 0 HG2 LYS A -2 15.193 -8.944 -2.644 1.00 0.00 H new ATOM 0 HG3 LYS A -2 15.066 -7.249 -2.216 1.00 0.00 H new ATOM 0 HD2 LYS A -2 16.446 -7.721 -0.132 1.00 0.00 H new ATOM 0 HD3 LYS A -2 16.648 -9.373 -0.680 1.00 0.00 H new ATOM 0 HE2 LYS A -2 18.593 -8.305 -1.526 1.00 0.00 H new ATOM 0 HE3 LYS A -2 17.528 -8.319 -2.918 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 18.550 -6.122 -2.490 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 16.854 -6.064 -2.448 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 17.740 -6.042 -1.000 1.00 0.00 H new ATOM 74 N ALA A -1 11.206 -10.258 -0.761 1.00 0.00 N ATOM 75 CA ALA A -1 10.085 -10.715 0.105 1.00 0.00 C ATOM 76 C ALA A -1 10.619 -11.048 1.498 1.00 0.00 C ATOM 77 O ALA A -1 11.100 -12.136 1.746 1.00 0.00 O ATOM 78 CB ALA A -1 9.441 -11.960 -0.504 1.00 0.00 C ATOM 0 H ALA A -1 11.654 -10.989 -1.314 1.00 0.00 H new ATOM 0 HA ALA A -1 9.341 -9.922 0.180 1.00 0.00 H new ATOM 0 HB1 ALA A -1 8.620 -12.293 0.132 1.00 0.00 H new ATOM 0 HB2 ALA A -1 9.058 -11.723 -1.497 1.00 0.00 H new ATOM 0 HB3 ALA A -1 10.185 -12.753 -0.582 1.00 0.00 H new ATOM 84 N GLY A 1 10.537 -10.120 2.410 1.00 0.00 N ATOM 85 CA GLY A 1 11.036 -10.385 3.789 1.00 0.00 C ATOM 86 C GLY A 1 10.038 -11.278 4.526 1.00 0.00 C ATOM 87 O GLY A 1 9.680 -12.338 4.054 1.00 0.00 O ATOM 0 H GLY A 1 10.146 -9.190 2.261 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.012 -10.868 3.748 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.167 -9.446 4.327 1.00 0.00 H new ATOM 91 N SER A 2 9.584 -10.855 5.677 1.00 0.00 N ATOM 92 CA SER A 2 8.603 -11.678 6.441 1.00 0.00 C ATOM 93 C SER A 2 7.306 -10.885 6.614 1.00 0.00 C ATOM 94 O SER A 2 7.319 -9.736 7.012 1.00 0.00 O ATOM 95 CB SER A 2 9.181 -12.012 7.817 1.00 0.00 C ATOM 96 OG SER A 2 8.291 -12.883 8.502 1.00 0.00 O ATOM 0 H SER A 2 9.851 -9.976 6.120 1.00 0.00 H new ATOM 0 HA SER A 2 8.399 -12.601 5.899 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.158 -12.483 7.709 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.330 -11.099 8.393 1.00 0.00 H new ATOM 0 HG SER A 2 8.660 -13.100 9.384 1.00 0.00 H new ATOM 102 N ALA A 3 6.188 -11.487 6.319 1.00 0.00 N ATOM 103 CA ALA A 3 4.892 -10.766 6.466 1.00 0.00 C ATOM 104 C ALA A 3 4.616 -10.506 7.948 1.00 0.00 C ATOM 105 O ALA A 3 4.067 -9.487 8.318 1.00 0.00 O ATOM 106 CB ALA A 3 3.766 -11.618 5.879 1.00 0.00 C ATOM 0 H ALA A 3 6.115 -12.447 5.982 1.00 0.00 H new ATOM 0 HA ALA A 3 4.943 -9.815 5.935 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.818 -11.091 5.986 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.962 -11.802 4.823 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.715 -12.569 6.409 1.00 0.00 H new ATOM 112 N LYS A 4 4.986 -11.424 8.798 1.00 0.00 N ATOM 113 CA LYS A 4 4.738 -11.236 10.252 1.00 0.00 C ATOM 114 C LYS A 4 5.471 -9.990 10.735 1.00 0.00 C ATOM 115 O LYS A 4 4.915 -9.143 11.404 1.00 0.00 O ATOM 116 CB LYS A 4 5.282 -12.447 11.004 1.00 0.00 C ATOM 117 CG LYS A 4 4.685 -13.718 10.410 1.00 0.00 C ATOM 118 CD LYS A 4 5.029 -14.912 11.302 1.00 0.00 C ATOM 119 CE LYS A 4 6.546 -15.099 11.345 1.00 0.00 C ATOM 120 NZ LYS A 4 7.096 -14.413 12.549 1.00 0.00 N ATOM 0 H LYS A 4 5.450 -12.297 8.546 1.00 0.00 H new ATOM 0 HA LYS A 4 3.668 -11.127 10.431 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.369 -12.475 10.934 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.033 -12.374 12.063 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.603 -13.617 10.322 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.073 -13.879 9.404 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.644 -14.750 12.309 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.552 -15.814 10.919 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.792 -16.161 11.374 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.999 -14.691 10.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.849 -13.756 12.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.337 -13.883 13.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.486 -15.121 13.204 1.00 0.00 H new ATOM 134 N LYS A 5 6.723 -9.884 10.400 1.00 0.00 N ATOM 135 CA LYS A 5 7.515 -8.703 10.835 1.00 0.00 C ATOM 136 C LYS A 5 6.899 -7.424 10.264 1.00 0.00 C ATOM 137 O LYS A 5 6.762 -6.430 10.950 1.00 0.00 O ATOM 138 CB LYS A 5 8.950 -8.850 10.327 1.00 0.00 C ATOM 139 CG LYS A 5 9.606 -10.060 10.993 1.00 0.00 C ATOM 140 CD LYS A 5 11.076 -10.140 10.574 1.00 0.00 C ATOM 141 CE LYS A 5 11.702 -11.414 11.144 1.00 0.00 C ATOM 142 NZ LYS A 5 13.168 -11.408 10.880 1.00 0.00 N ATOM 0 H LYS A 5 7.235 -10.567 9.841 1.00 0.00 H new ATOM 0 HA LYS A 5 7.512 -8.644 11.923 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.953 -8.972 9.244 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.519 -7.947 10.548 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.530 -9.977 12.077 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.085 -10.973 10.706 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.156 -10.138 9.487 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.616 -9.264 10.935 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.515 -11.476 12.216 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.243 -12.292 10.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.594 -12.274 11.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 13.336 -11.368 9.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 13.599 -10.577 11.334 1.00 0.00 H new ATOM 156 N GLY A 6 6.525 -7.440 9.015 1.00 0.00 N ATOM 157 CA GLY A 6 5.917 -6.224 8.404 1.00 0.00 C ATOM 158 C GLY A 6 4.581 -5.922 9.082 1.00 0.00 C ATOM 159 O GLY A 6 4.206 -4.779 9.259 1.00 0.00 O ATOM 0 H GLY A 6 6.614 -8.242 8.391 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.591 -5.375 8.512 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.767 -6.378 7.335 1.00 0.00 H new ATOM 163 N ALA A 7 3.854 -6.939 9.457 1.00 0.00 N ATOM 164 CA ALA A 7 2.537 -6.710 10.115 1.00 0.00 C ATOM 165 C ALA A 7 2.730 -5.892 11.393 1.00 0.00 C ATOM 166 O ALA A 7 1.961 -5.001 11.688 1.00 0.00 O ATOM 167 CB ALA A 7 1.902 -8.058 10.464 1.00 0.00 C ATOM 0 H ALA A 7 4.115 -7.918 9.336 1.00 0.00 H new ATOM 0 HA ALA A 7 1.885 -6.163 9.434 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.938 -7.892 10.946 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.757 -8.639 9.553 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.557 -8.604 11.142 1.00 0.00 H new ATOM 173 N THR A 8 3.752 -6.179 12.149 1.00 0.00 N ATOM 174 CA THR A 8 3.981 -5.407 13.400 1.00 0.00 C ATOM 175 C THR A 8 4.187 -3.938 13.045 1.00 0.00 C ATOM 176 O THR A 8 3.604 -3.050 13.634 1.00 0.00 O ATOM 177 CB THR A 8 5.236 -5.934 14.089 1.00 0.00 C ATOM 178 OG1 THR A 8 6.373 -5.640 13.288 1.00 0.00 O ATOM 179 CG2 THR A 8 5.121 -7.446 14.275 1.00 0.00 C ATOM 0 H THR A 8 4.435 -6.911 11.956 1.00 0.00 H new ATOM 0 HA THR A 8 3.123 -5.512 14.064 1.00 0.00 H new ATOM 0 HB THR A 8 5.343 -5.457 15.063 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.490 -6.344 12.616 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.018 -7.821 14.767 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.249 -7.672 14.889 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.014 -7.925 13.302 1.00 0.00 H new ATOM 187 N LEU A 9 5.011 -3.685 12.073 1.00 0.00 N ATOM 188 CA LEU A 9 5.267 -2.280 11.651 1.00 0.00 C ATOM 189 C LEU A 9 3.973 -1.682 11.101 1.00 0.00 C ATOM 190 O LEU A 9 3.639 -0.541 11.350 1.00 0.00 O ATOM 191 CB LEU A 9 6.316 -2.278 10.547 1.00 0.00 C ATOM 192 CG LEU A 9 6.877 -0.868 10.397 1.00 0.00 C ATOM 193 CD1 LEU A 9 8.013 -0.656 11.400 1.00 0.00 C ATOM 194 CD2 LEU A 9 7.409 -0.685 8.981 1.00 0.00 C ATOM 0 H LEU A 9 5.523 -4.394 11.548 1.00 0.00 H new ATOM 0 HA LEU A 9 5.617 -1.695 12.502 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.116 -2.978 10.787 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.874 -2.609 9.607 1.00 0.00 H new ATOM 0 HG LEU A 9 6.087 -0.141 10.588 1.00 0.00 H new ATOM 0 HD11 LEU A 9 8.412 0.352 11.290 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.633 -0.788 12.413 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.804 -1.382 11.212 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.811 0.322 8.871 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.198 -1.413 8.792 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.600 -0.833 8.266 1.00 0.00 H new ATOM 206 N PHE A 10 3.254 -2.459 10.344 1.00 0.00 N ATOM 207 CA PHE A 10 1.977 -1.975 9.746 1.00 0.00 C ATOM 208 C PHE A 10 0.977 -1.610 10.849 1.00 0.00 C ATOM 209 O PHE A 10 0.355 -0.567 10.816 1.00 0.00 O ATOM 210 CB PHE A 10 1.394 -3.100 8.882 1.00 0.00 C ATOM 211 CG PHE A 10 0.189 -2.606 8.118 1.00 0.00 C ATOM 212 CD1 PHE A 10 0.349 -2.043 6.847 1.00 0.00 C ATOM 213 CD2 PHE A 10 -1.090 -2.717 8.678 1.00 0.00 C ATOM 214 CE1 PHE A 10 -0.768 -1.591 6.135 1.00 0.00 C ATOM 215 CE2 PHE A 10 -2.207 -2.265 7.965 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.046 -1.702 6.694 1.00 0.00 C ATOM 0 H PHE A 10 3.498 -3.421 10.110 1.00 0.00 H new ATOM 0 HA PHE A 10 2.167 -1.087 9.143 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.151 -3.462 8.186 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.112 -3.943 9.513 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.335 -1.957 6.415 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.215 -3.151 9.659 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.644 -1.157 5.154 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.193 -2.351 8.396 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.908 -1.353 6.145 1.00 0.00 H new ATOM 226 N LYS A 11 0.809 -2.469 11.817 1.00 0.00 N ATOM 227 CA LYS A 11 -0.158 -2.190 12.914 1.00 0.00 C ATOM 228 C LYS A 11 0.246 -0.943 13.707 1.00 0.00 C ATOM 229 O LYS A 11 -0.594 -0.231 14.217 1.00 0.00 O ATOM 230 CB LYS A 11 -0.210 -3.394 13.856 1.00 0.00 C ATOM 231 CG LYS A 11 -0.851 -4.582 13.135 1.00 0.00 C ATOM 232 CD LYS A 11 -0.989 -5.756 14.105 1.00 0.00 C ATOM 233 CE LYS A 11 -1.521 -6.979 13.357 1.00 0.00 C ATOM 234 NZ LYS A 11 -2.792 -6.624 12.665 1.00 0.00 N ATOM 0 H LYS A 11 1.304 -3.358 11.895 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.138 -2.011 12.472 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.796 -3.655 14.185 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.783 -3.145 14.749 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.830 -4.300 12.747 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.241 -4.873 12.280 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.023 -5.984 14.555 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.665 -5.492 14.918 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.784 -7.324 12.632 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.691 -7.799 14.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.308 -7.493 12.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.378 -6.040 13.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.578 -6.091 11.798 1.00 0.00 H new ATOM 248 N THR A 12 1.516 -0.684 13.844 1.00 0.00 N ATOM 249 CA THR A 12 1.945 0.506 14.639 1.00 0.00 C ATOM 250 C THR A 12 2.282 1.690 13.729 1.00 0.00 C ATOM 251 O THR A 12 2.647 2.748 14.202 1.00 0.00 O ATOM 252 CB THR A 12 3.178 0.140 15.468 1.00 0.00 C ATOM 253 OG1 THR A 12 4.263 -0.146 14.596 1.00 0.00 O ATOM 254 CG2 THR A 12 2.873 -1.089 16.326 1.00 0.00 C ATOM 0 H THR A 12 2.273 -1.239 13.444 1.00 0.00 H new ATOM 0 HA THR A 12 1.122 0.798 15.291 1.00 0.00 H new ATOM 0 HB THR A 12 3.442 0.975 16.117 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.151 -1.043 14.218 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.752 -1.348 16.916 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.040 -0.869 16.994 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.609 -1.927 15.681 1.00 0.00 H new ATOM 262 N ARG A 13 2.175 1.540 12.438 1.00 0.00 N ATOM 263 CA ARG A 13 2.508 2.687 11.545 1.00 0.00 C ATOM 264 C ARG A 13 1.586 2.709 10.326 1.00 0.00 C ATOM 265 O ARG A 13 1.836 3.413 9.368 1.00 0.00 O ATOM 266 CB ARG A 13 3.961 2.564 11.082 1.00 0.00 C ATOM 267 CG ARG A 13 4.888 2.662 12.296 1.00 0.00 C ATOM 268 CD ARG A 13 6.338 2.792 11.825 1.00 0.00 C ATOM 269 NE ARG A 13 7.254 2.656 12.992 1.00 0.00 N ATOM 270 CZ ARG A 13 7.449 3.671 13.789 1.00 0.00 C ATOM 271 NH1 ARG A 13 6.842 4.804 13.563 1.00 0.00 N ATOM 272 NH2 ARG A 13 8.250 3.552 14.812 1.00 0.00 N ATOM 0 H ARG A 13 1.876 0.686 11.967 1.00 0.00 H new ATOM 0 HA ARG A 13 2.371 3.614 12.102 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.112 1.614 10.570 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.195 3.352 10.367 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.615 3.523 12.906 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.777 1.778 12.924 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.561 2.025 11.083 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.489 3.757 11.341 1.00 0.00 H new ATOM 0 HE ARG A 13 7.728 1.770 13.168 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.215 4.896 12.764 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.994 5.597 14.186 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.724 2.666 14.989 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.403 4.345 15.435 1.00 0.00 H new ATOM 286 N CYS A 14 0.528 1.946 10.340 1.00 0.00 N ATOM 287 CA CYS A 14 -0.383 1.937 9.161 1.00 0.00 C ATOM 288 C CYS A 14 -1.630 1.109 9.471 1.00 0.00 C ATOM 289 O CYS A 14 -1.800 0.021 8.965 1.00 0.00 O ATOM 290 CB CYS A 14 0.364 1.323 7.979 1.00 0.00 C ATOM 291 SG CYS A 14 -0.375 1.874 6.420 1.00 0.00 S ATOM 0 H CYS A 14 0.256 1.334 11.109 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.692 2.955 8.922 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.415 1.611 8.014 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.329 0.235 8.042 1.00 0.00 H new ATOM 0 HG CYS A 14 -0.785 0.841 5.745 1.00 0.00 H new ATOM 296 N LEU A 15 -2.507 1.617 10.290 1.00 0.00 N ATOM 297 CA LEU A 15 -3.744 0.854 10.618 1.00 0.00 C ATOM 298 C LEU A 15 -4.919 1.823 10.749 1.00 0.00 C ATOM 299 O LEU A 15 -6.039 1.504 10.408 1.00 0.00 O ATOM 300 CB LEU A 15 -3.555 0.084 11.930 1.00 0.00 C ATOM 301 CG LEU A 15 -3.262 1.048 13.084 1.00 0.00 C ATOM 302 CD1 LEU A 15 -3.218 0.261 14.395 1.00 0.00 C ATOM 303 CD2 LEU A 15 -1.910 1.734 12.867 1.00 0.00 C ATOM 0 H LEU A 15 -2.422 2.525 10.746 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.949 0.141 9.819 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.452 -0.494 12.151 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.735 -0.627 11.826 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.045 1.805 13.125 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.010 0.941 15.221 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.179 -0.226 14.559 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.434 -0.494 14.340 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.712 2.417 13.693 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.123 0.981 12.822 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.932 2.293 11.931 1.00 0.00 H new ATOM 315 N GLN A 16 -4.672 3.007 11.236 1.00 0.00 N ATOM 316 CA GLN A 16 -5.775 3.996 11.380 1.00 0.00 C ATOM 317 C GLN A 16 -6.390 4.271 10.007 1.00 0.00 C ATOM 318 O GLN A 16 -7.574 4.510 9.880 1.00 0.00 O ATOM 319 CB GLN A 16 -5.217 5.297 11.960 1.00 0.00 C ATOM 320 CG GLN A 16 -4.185 5.890 10.996 1.00 0.00 C ATOM 321 CD GLN A 16 -3.600 7.169 11.596 1.00 0.00 C ATOM 322 OE1 GLN A 16 -2.708 7.115 12.419 1.00 0.00 O ATOM 323 NE2 GLN A 16 -4.068 8.326 11.216 1.00 0.00 N ATOM 0 H GLN A 16 -3.754 3.332 11.540 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.539 3.599 12.048 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.026 6.009 12.126 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.756 5.106 12.929 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -3.391 5.168 10.808 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.652 6.107 10.035 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.817 8.371 10.525 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.685 9.185 11.610 1.00 0.00 H new ATOM 332 N CYS A 17 -5.588 4.246 8.977 1.00 0.00 N ATOM 333 CA CYS A 17 -6.116 4.516 7.612 1.00 0.00 C ATOM 334 C CYS A 17 -6.585 3.211 6.964 1.00 0.00 C ATOM 335 O CYS A 17 -7.735 2.832 7.066 1.00 0.00 O ATOM 336 CB CYS A 17 -5.005 5.123 6.756 1.00 0.00 C ATOM 337 SG CYS A 17 -4.623 6.788 7.348 1.00 0.00 S ATOM 0 H CYS A 17 -4.588 4.050 9.024 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.956 5.206 7.684 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.114 4.497 6.801 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.316 5.160 5.712 1.00 0.00 H new ATOM 0 HG CYS A 17 -3.676 7.301 6.620 1.00 0.00 H new ATOM 342 N HIS A 18 -5.700 2.528 6.292 1.00 0.00 N ATOM 343 CA HIS A 18 -6.086 1.251 5.626 1.00 0.00 C ATOM 344 C HIS A 18 -6.694 0.290 6.649 1.00 0.00 C ATOM 345 O HIS A 18 -7.600 -0.459 6.343 1.00 0.00 O ATOM 346 CB HIS A 18 -4.849 0.617 4.985 1.00 0.00 C ATOM 347 CG HIS A 18 -4.429 1.442 3.800 1.00 0.00 C ATOM 348 ND1 HIS A 18 -4.878 1.175 2.511 1.00 0.00 N ATOM 349 CD2 HIS A 18 -3.618 2.544 3.694 1.00 0.00 C ATOM 350 CE1 HIS A 18 -4.339 2.100 1.694 1.00 0.00 C ATOM 351 NE2 HIS A 18 -3.568 2.953 2.367 1.00 0.00 N ATOM 0 H HIS A 18 -4.724 2.799 6.175 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.828 1.457 4.854 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -4.037 0.561 5.710 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.069 -0.404 4.673 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -5.502 0.417 2.235 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.100 3.019 4.514 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.510 2.145 0.629 1.00 0.00 H new ATOM 359 N THR A 19 -6.208 0.304 7.860 1.00 0.00 N ATOM 360 CA THR A 19 -6.767 -0.614 8.892 1.00 0.00 C ATOM 361 C THR A 19 -6.975 -2.000 8.274 1.00 0.00 C ATOM 362 O THR A 19 -8.088 -2.450 8.092 1.00 0.00 O ATOM 363 CB THR A 19 -8.108 -0.066 9.392 1.00 0.00 C ATOM 364 OG1 THR A 19 -8.082 1.355 9.351 1.00 0.00 O ATOM 365 CG2 THR A 19 -8.349 -0.533 10.828 1.00 0.00 C ATOM 0 H THR A 19 -5.451 0.909 8.178 1.00 0.00 H new ATOM 0 HA THR A 19 -6.075 -0.689 9.730 1.00 0.00 H new ATOM 0 HB THR A 19 -8.912 -0.434 8.754 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.250 1.679 9.754 1.00 0.00 H new ATOM 0 HG21 THR A 19 -9.303 -0.143 11.182 1.00 0.00 H new ATOM 0 HG22 THR A 19 -8.369 -1.622 10.858 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.547 -0.167 11.469 1.00 0.00 H new ATOM 373 N VAL A 20 -5.910 -2.674 7.942 1.00 0.00 N ATOM 374 CA VAL A 20 -6.043 -4.023 7.327 1.00 0.00 C ATOM 375 C VAL A 20 -6.518 -5.027 8.379 1.00 0.00 C ATOM 376 O VAL A 20 -5.921 -6.065 8.586 1.00 0.00 O ATOM 377 CB VAL A 20 -4.693 -4.452 6.754 1.00 0.00 C ATOM 378 CG1 VAL A 20 -4.738 -5.926 6.351 1.00 0.00 C ATOM 379 CG2 VAL A 20 -4.387 -3.603 5.520 1.00 0.00 C ATOM 0 H VAL A 20 -4.952 -2.348 8.070 1.00 0.00 H new ATOM 0 HA VAL A 20 -6.777 -3.989 6.522 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.919 -4.313 7.509 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.771 -6.222 5.944 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.965 -6.536 7.226 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.510 -6.073 5.596 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.425 -3.901 5.103 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.168 -3.751 4.774 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.350 -2.551 5.802 1.00 0.00 H new ATOM 389 N GLU A 21 -7.603 -4.728 9.036 1.00 0.00 N ATOM 390 CA GLU A 21 -8.139 -5.662 10.061 1.00 0.00 C ATOM 391 C GLU A 21 -8.574 -6.950 9.356 1.00 0.00 C ATOM 392 O GLU A 21 -8.950 -7.922 9.979 1.00 0.00 O ATOM 393 CB GLU A 21 -9.339 -5.011 10.757 1.00 0.00 C ATOM 394 CG GLU A 21 -9.752 -5.838 11.978 1.00 0.00 C ATOM 395 CD GLU A 21 -10.989 -5.209 12.625 1.00 0.00 C ATOM 396 OE1 GLU A 21 -11.468 -4.218 12.099 1.00 0.00 O ATOM 397 OE2 GLU A 21 -11.435 -5.730 13.634 1.00 0.00 O ATOM 0 H GLU A 21 -8.143 -3.873 8.906 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.379 -5.890 10.809 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.085 -3.997 11.064 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.175 -4.933 10.061 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.966 -6.864 11.680 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.934 -5.879 12.697 1.00 0.00 H new ATOM 404 N LYS A 22 -8.524 -6.952 8.048 1.00 0.00 N ATOM 405 CA LYS A 22 -8.930 -8.152 7.275 1.00 0.00 C ATOM 406 C LYS A 22 -10.455 -8.166 7.145 1.00 0.00 C ATOM 407 O LYS A 22 -11.151 -8.847 7.871 1.00 0.00 O ATOM 408 CB LYS A 22 -8.442 -9.411 7.988 1.00 0.00 C ATOM 409 CG LYS A 22 -8.037 -10.443 6.943 1.00 0.00 C ATOM 410 CD LYS A 22 -6.606 -10.164 6.477 1.00 0.00 C ATOM 411 CE LYS A 22 -6.372 -10.835 5.124 1.00 0.00 C ATOM 412 NZ LYS A 22 -6.973 -12.198 5.133 1.00 0.00 N ATOM 0 H LYS A 22 -8.215 -6.162 7.482 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.486 -8.124 6.280 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.596 -9.175 8.633 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.229 -9.811 8.628 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -8.105 -11.447 7.362 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.721 -10.405 6.095 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.441 -9.090 6.396 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.893 -10.541 7.210 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.815 -10.236 4.328 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.304 -10.899 4.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.518 -12.783 4.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.829 -12.635 6.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.992 -12.129 4.937 1.00 0.00 H new ATOM 426 N GLY A 23 -10.977 -7.404 6.223 1.00 0.00 N ATOM 427 CA GLY A 23 -12.454 -7.353 6.043 1.00 0.00 C ATOM 428 C GLY A 23 -13.020 -6.195 6.865 1.00 0.00 C ATOM 429 O GLY A 23 -14.214 -6.082 7.056 1.00 0.00 O ATOM 0 H GLY A 23 -10.442 -6.814 5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.700 -7.221 4.989 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.904 -8.294 6.360 1.00 0.00 H new ATOM 433 N GLY A 24 -12.167 -5.336 7.358 1.00 0.00 N ATOM 434 CA GLY A 24 -12.655 -4.187 8.174 1.00 0.00 C ATOM 435 C GLY A 24 -13.164 -3.075 7.252 1.00 0.00 C ATOM 436 O GLY A 24 -12.822 -3.017 6.088 1.00 0.00 O ATOM 0 H GLY A 24 -11.156 -5.381 7.231 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.454 -4.515 8.839 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.850 -3.809 8.805 1.00 0.00 H new ATOM 440 N PRO A 25 -13.972 -2.196 7.781 1.00 0.00 N ATOM 441 CA PRO A 25 -14.545 -1.052 7.011 1.00 0.00 C ATOM 442 C PRO A 25 -13.450 -0.163 6.414 1.00 0.00 C ATOM 443 O PRO A 25 -12.305 -0.225 6.811 1.00 0.00 O ATOM 444 CB PRO A 25 -15.367 -0.269 8.044 1.00 0.00 C ATOM 445 CG PRO A 25 -14.937 -0.773 9.384 1.00 0.00 C ATOM 446 CD PRO A 25 -14.428 -2.196 9.175 1.00 0.00 C ATOM 0 HA PRO A 25 -15.141 -1.395 6.165 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -15.187 0.802 7.954 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -16.435 -0.426 7.893 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.155 -0.140 9.803 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.769 -0.759 10.088 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.617 -2.437 9.862 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -15.215 -2.932 9.340 1.00 0.00 H new ATOM 454 N HIS A 26 -13.789 0.659 5.458 1.00 0.00 N ATOM 455 CA HIS A 26 -12.755 1.538 4.843 1.00 0.00 C ATOM 456 C HIS A 26 -12.793 2.917 5.501 1.00 0.00 C ATOM 457 O HIS A 26 -13.844 3.494 5.698 1.00 0.00 O ATOM 458 CB HIS A 26 -13.038 1.714 3.350 1.00 0.00 C ATOM 459 CG HIS A 26 -13.201 0.376 2.685 1.00 0.00 C ATOM 460 ND1 HIS A 26 -12.125 -0.448 2.395 1.00 0.00 N ATOM 461 CD2 HIS A 26 -14.313 -0.283 2.223 1.00 0.00 C ATOM 462 CE1 HIS A 26 -12.607 -1.546 1.782 1.00 0.00 C ATOM 463 NE2 HIS A 26 -13.933 -1.493 1.655 1.00 0.00 N ATOM 0 H HIS A 26 -14.731 0.759 5.079 1.00 0.00 H new ATOM 0 HA HIS A 26 -11.778 1.076 4.986 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -13.942 2.308 3.212 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -12.221 2.263 2.881 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -15.327 0.083 2.291 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -11.996 -2.367 1.437 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -14.541 -2.193 1.230 1.00 0.00 H new ATOM 472 N LYS A 27 -11.651 3.459 5.820 1.00 0.00 N ATOM 473 CA LYS A 27 -11.613 4.811 6.441 1.00 0.00 C ATOM 474 C LYS A 27 -11.160 5.811 5.378 1.00 0.00 C ATOM 475 O LYS A 27 -11.675 5.833 4.278 1.00 0.00 O ATOM 476 CB LYS A 27 -10.622 4.810 7.607 1.00 0.00 C ATOM 477 CG LYS A 27 -10.838 6.058 8.466 1.00 0.00 C ATOM 478 CD LYS A 27 -11.990 5.809 9.442 1.00 0.00 C ATOM 479 CE LYS A 27 -11.422 5.426 10.809 1.00 0.00 C ATOM 480 NZ LYS A 27 -10.995 6.657 11.534 1.00 0.00 N ATOM 0 H LYS A 27 -10.740 3.022 5.677 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.599 5.084 6.818 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.757 3.913 8.211 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.600 4.789 7.229 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.927 6.298 9.015 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.063 6.915 7.832 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -12.607 6.703 9.530 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.634 5.013 9.067 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.174 4.892 11.390 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.575 4.751 10.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.609 6.396 12.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.264 7.150 10.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.814 7.285 11.663 1.00 0.00 H new ATOM 494 N VAL A 28 -10.193 6.629 5.682 1.00 0.00 N ATOM 495 CA VAL A 28 -9.711 7.606 4.667 1.00 0.00 C ATOM 496 C VAL A 28 -9.110 6.840 3.490 1.00 0.00 C ATOM 497 O VAL A 28 -9.267 7.217 2.345 1.00 0.00 O ATOM 498 CB VAL A 28 -8.645 8.511 5.286 1.00 0.00 C ATOM 499 CG1 VAL A 28 -8.035 9.399 4.199 1.00 0.00 C ATOM 500 CG2 VAL A 28 -9.284 9.391 6.361 1.00 0.00 C ATOM 0 H VAL A 28 -9.718 6.664 6.584 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.544 8.220 4.324 1.00 0.00 H new ATOM 0 HB VAL A 28 -7.865 7.897 5.735 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.275 10.044 4.640 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.579 8.773 3.432 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.816 10.013 3.750 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.524 10.036 6.802 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.065 10.005 5.912 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -9.719 8.760 7.136 1.00 0.00 H new ATOM 510 N GLY A 29 -8.423 5.763 3.767 1.00 0.00 N ATOM 511 CA GLY A 29 -7.810 4.960 2.672 1.00 0.00 C ATOM 512 C GLY A 29 -8.513 3.601 2.584 1.00 0.00 C ATOM 513 O GLY A 29 -9.087 3.129 3.546 1.00 0.00 O ATOM 0 H GLY A 29 -8.260 5.405 4.708 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.899 5.490 1.724 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.746 4.820 2.861 1.00 0.00 H new ATOM 517 N PRO A 30 -8.471 2.979 1.434 1.00 0.00 N ATOM 518 CA PRO A 30 -9.117 1.652 1.210 1.00 0.00 C ATOM 519 C PRO A 30 -8.532 0.556 2.106 1.00 0.00 C ATOM 520 O PRO A 30 -7.413 0.649 2.569 1.00 0.00 O ATOM 521 CB PRO A 30 -8.845 1.332 -0.264 1.00 0.00 C ATOM 522 CG PRO A 30 -7.763 2.264 -0.703 1.00 0.00 C ATOM 523 CD PRO A 30 -7.803 3.475 0.226 1.00 0.00 C ATOM 0 HA PRO A 30 -10.179 1.690 1.453 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.537 0.294 -0.386 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.744 1.470 -0.864 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.791 1.774 -0.654 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.915 2.569 -1.738 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.800 3.841 0.447 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.353 4.303 -0.222 1.00 0.00 H new ATOM 531 N ASN A 31 -9.284 -0.483 2.349 1.00 0.00 N ATOM 532 CA ASN A 31 -8.775 -1.588 3.211 1.00 0.00 C ATOM 533 C ASN A 31 -7.445 -2.091 2.649 1.00 0.00 C ATOM 534 O ASN A 31 -6.593 -2.544 3.383 1.00 0.00 O ATOM 535 CB ASN A 31 -9.793 -2.728 3.245 1.00 0.00 C ATOM 536 CG ASN A 31 -9.479 -3.655 4.419 1.00 0.00 C ATOM 537 OD1 ASN A 31 -8.365 -3.684 4.904 1.00 0.00 O ATOM 538 ND2 ASN A 31 -10.423 -4.413 4.908 1.00 0.00 N ATOM 0 H ASN A 31 -10.229 -0.615 1.988 1.00 0.00 H new ATOM 0 HA ASN A 31 -8.624 -1.221 4.226 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -10.802 -2.327 3.344 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -9.762 -3.286 2.309 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.225 -5.029 5.697 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -11.358 -4.389 4.501 1.00 0.00 H new ATOM 545 N LEU A 32 -7.270 -1.998 1.352 1.00 0.00 N ATOM 546 CA LEU A 32 -5.997 -2.445 0.700 1.00 0.00 C ATOM 547 C LEU A 32 -6.072 -3.935 0.348 1.00 0.00 C ATOM 548 O LEU A 32 -5.065 -4.606 0.241 1.00 0.00 O ATOM 549 CB LEU A 32 -4.807 -2.179 1.644 1.00 0.00 C ATOM 550 CG LEU A 32 -3.499 -1.999 0.857 1.00 0.00 C ATOM 551 CD1 LEU A 32 -3.637 -0.867 -0.159 1.00 0.00 C ATOM 552 CD2 LEU A 32 -2.379 -1.626 1.825 1.00 0.00 C ATOM 0 H LEU A 32 -7.967 -1.625 0.707 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.854 -1.880 -0.221 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.003 -1.286 2.237 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.702 -3.009 2.343 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.276 -2.932 0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.702 -0.754 -0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.441 -1.101 -0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.867 0.063 0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.448 -1.497 1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.632 -0.695 2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.256 -2.419 2.562 1.00 0.00 H new ATOM 564 N HIS A 33 -7.257 -4.453 0.150 1.00 0.00 N ATOM 565 CA HIS A 33 -7.393 -5.896 -0.216 1.00 0.00 C ATOM 566 C HIS A 33 -7.816 -6.027 -1.684 1.00 0.00 C ATOM 567 O HIS A 33 -7.874 -7.115 -2.219 1.00 0.00 O ATOM 568 CB HIS A 33 -8.461 -6.556 0.659 1.00 0.00 C ATOM 569 CG HIS A 33 -7.981 -6.638 2.079 1.00 0.00 C ATOM 570 ND1 HIS A 33 -6.713 -7.094 2.408 1.00 0.00 N ATOM 571 CD2 HIS A 33 -8.597 -6.346 3.269 1.00 0.00 C ATOM 572 CE1 HIS A 33 -6.608 -7.063 3.749 1.00 0.00 C ATOM 573 NE2 HIS A 33 -7.727 -6.614 4.319 1.00 0.00 N ATOM 0 H HIS A 33 -8.136 -3.940 0.226 1.00 0.00 H new ATOM 0 HA HIS A 33 -6.431 -6.385 -0.063 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.387 -5.983 0.612 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -8.685 -7.555 0.284 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -9.603 -5.966 3.374 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.727 -7.364 4.296 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -7.906 -6.493 5.316 1.00 0.00 H new ATOM 582 N GLY A 34 -8.136 -4.935 -2.332 1.00 0.00 N ATOM 583 CA GLY A 34 -8.583 -5.014 -3.758 1.00 0.00 C ATOM 584 C GLY A 34 -7.563 -4.359 -4.694 1.00 0.00 C ATOM 585 O GLY A 34 -7.613 -4.540 -5.894 1.00 0.00 O ATOM 0 H GLY A 34 -8.108 -3.995 -1.938 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.723 -6.057 -4.041 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.549 -4.522 -3.867 1.00 0.00 H new ATOM 589 N ILE A 35 -6.646 -3.594 -4.172 1.00 0.00 N ATOM 590 CA ILE A 35 -5.648 -2.932 -5.063 1.00 0.00 C ATOM 591 C ILE A 35 -4.885 -3.990 -5.864 1.00 0.00 C ATOM 592 O ILE A 35 -4.451 -3.743 -6.971 1.00 0.00 O ATOM 593 CB ILE A 35 -4.666 -2.106 -4.224 1.00 0.00 C ATOM 594 CG1 ILE A 35 -5.454 -1.076 -3.410 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.677 -1.377 -5.143 1.00 0.00 C ATOM 596 CD1 ILE A 35 -4.611 0.184 -3.203 1.00 0.00 C ATOM 0 H ILE A 35 -6.543 -3.398 -3.176 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.171 -2.270 -5.753 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.112 -2.767 -3.557 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.380 -0.823 -3.927 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.733 -1.499 -2.445 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.983 -0.792 -4.539 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.121 -2.107 -5.731 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.224 -0.713 -5.812 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.180 0.911 -2.623 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.698 -0.073 -2.667 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.354 0.613 -4.171 1.00 0.00 H new ATOM 608 N PHE A 36 -4.708 -5.160 -5.321 1.00 0.00 N ATOM 609 CA PHE A 36 -3.961 -6.208 -6.069 1.00 0.00 C ATOM 610 C PHE A 36 -4.947 -7.101 -6.826 1.00 0.00 C ATOM 611 O PHE A 36 -5.900 -7.609 -6.268 1.00 0.00 O ATOM 612 CB PHE A 36 -3.152 -7.050 -5.081 1.00 0.00 C ATOM 613 CG PHE A 36 -2.196 -6.151 -4.338 1.00 0.00 C ATOM 614 CD1 PHE A 36 -0.933 -5.870 -4.876 1.00 0.00 C ATOM 615 CD2 PHE A 36 -2.575 -5.588 -3.113 1.00 0.00 C ATOM 616 CE1 PHE A 36 -0.052 -5.027 -4.189 1.00 0.00 C ATOM 617 CE2 PHE A 36 -1.694 -4.747 -2.425 1.00 0.00 C ATOM 618 CZ PHE A 36 -0.433 -4.466 -2.963 1.00 0.00 C ATOM 0 H PHE A 36 -5.045 -5.436 -4.399 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.286 -5.738 -6.784 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.819 -7.552 -4.380 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.602 -7.828 -5.611 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.640 -6.304 -5.820 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.549 -5.803 -2.699 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.921 -4.809 -4.604 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.987 -4.315 -1.479 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.247 -3.816 -2.433 1.00 0.00 H new ATOM 628 N GLY A 37 -4.725 -7.284 -8.099 1.00 0.00 N ATOM 629 CA GLY A 37 -5.645 -8.133 -8.910 1.00 0.00 C ATOM 630 C GLY A 37 -5.518 -7.739 -10.384 1.00 0.00 C ATOM 631 O GLY A 37 -4.551 -8.069 -11.041 1.00 0.00 O ATOM 0 H GLY A 37 -3.943 -6.881 -8.615 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.398 -9.187 -8.779 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.673 -8.002 -8.573 1.00 0.00 H new ATOM 635 N ARG A 38 -6.486 -7.031 -10.904 1.00 0.00 N ATOM 636 CA ARG A 38 -6.419 -6.608 -12.333 1.00 0.00 C ATOM 637 C ARG A 38 -6.108 -5.110 -12.401 1.00 0.00 C ATOM 638 O ARG A 38 -5.422 -4.575 -11.553 1.00 0.00 O ATOM 639 CB ARG A 38 -7.759 -6.888 -13.018 1.00 0.00 C ATOM 640 CG ARG A 38 -8.877 -6.122 -12.308 1.00 0.00 C ATOM 641 CD ARG A 38 -9.608 -5.235 -13.318 1.00 0.00 C ATOM 642 NE ARG A 38 -10.855 -4.703 -12.702 1.00 0.00 N ATOM 643 CZ ARG A 38 -11.700 -4.018 -13.424 1.00 0.00 C ATOM 644 NH1 ARG A 38 -11.451 -3.800 -14.687 1.00 0.00 N ATOM 645 NH2 ARG A 38 -12.792 -3.552 -12.884 1.00 0.00 N ATOM 0 H ARG A 38 -7.320 -6.728 -10.401 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.635 -7.168 -12.843 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.711 -6.591 -14.066 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.970 -7.957 -13.000 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.576 -6.821 -11.848 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.462 -5.512 -11.506 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.964 -4.412 -13.629 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.848 -5.808 -14.214 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.049 -4.874 -11.715 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.597 -4.165 -15.109 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.111 -3.265 -15.252 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.986 -3.723 -11.897 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.452 -3.017 -13.448 1.00 0.00 H new ATOM 659 N HIS A 39 -6.604 -4.430 -13.400 1.00 0.00 N ATOM 660 CA HIS A 39 -6.331 -2.967 -13.515 1.00 0.00 C ATOM 661 C HIS A 39 -6.441 -2.321 -12.135 1.00 0.00 C ATOM 662 O HIS A 39 -6.973 -2.901 -11.210 1.00 0.00 O ATOM 663 CB HIS A 39 -7.351 -2.328 -14.459 1.00 0.00 C ATOM 664 CG HIS A 39 -7.598 -3.246 -15.625 1.00 0.00 C ATOM 665 ND1 HIS A 39 -8.875 -3.504 -16.106 1.00 0.00 N ATOM 666 CD2 HIS A 39 -6.745 -3.977 -16.413 1.00 0.00 C ATOM 667 CE1 HIS A 39 -8.754 -4.358 -17.140 1.00 0.00 C ATOM 668 NE2 HIS A 39 -7.479 -4.676 -17.366 1.00 0.00 N ATOM 0 H HIS A 39 -7.185 -4.823 -14.140 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.327 -2.815 -13.911 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -8.284 -2.137 -13.929 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.982 -1.365 -14.812 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -5.670 -4.005 -16.309 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.586 -4.738 -17.715 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -7.118 -5.301 -18.087 1.00 0.00 H new ATOM 677 N SER A 40 -5.928 -1.133 -11.981 1.00 0.00 N ATOM 678 CA SER A 40 -5.993 -0.473 -10.654 1.00 0.00 C ATOM 679 C SER A 40 -7.432 -0.109 -10.306 1.00 0.00 C ATOM 680 O SER A 40 -8.329 -0.202 -11.121 1.00 0.00 O ATOM 681 CB SER A 40 -5.134 0.791 -10.657 1.00 0.00 C ATOM 682 OG SER A 40 -5.598 1.674 -11.669 1.00 0.00 O ATOM 0 H SER A 40 -5.469 -0.594 -12.715 1.00 0.00 H new ATOM 0 HA SER A 40 -5.614 -1.169 -9.905 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.182 1.279 -9.683 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.090 0.534 -10.834 1.00 0.00 H new ATOM 0 HG SER A 40 -5.759 2.560 -11.282 1.00 0.00 H new ATOM 688 N GLY A 41 -7.653 0.303 -9.089 1.00 0.00 N ATOM 689 CA GLY A 41 -9.027 0.674 -8.659 1.00 0.00 C ATOM 690 C GLY A 41 -9.893 -0.582 -8.591 1.00 0.00 C ATOM 691 O GLY A 41 -10.320 -1.107 -9.600 1.00 0.00 O ATOM 0 H GLY A 41 -6.935 0.399 -8.370 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.996 1.161 -7.684 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.459 1.389 -9.359 1.00 0.00 H new ATOM 695 N GLN A 42 -10.150 -1.079 -7.409 1.00 0.00 N ATOM 696 CA GLN A 42 -10.981 -2.312 -7.292 1.00 0.00 C ATOM 697 C GLN A 42 -11.809 -2.268 -6.003 1.00 0.00 C ATOM 698 O GLN A 42 -12.934 -2.725 -5.965 1.00 0.00 O ATOM 699 CB GLN A 42 -10.060 -3.537 -7.258 1.00 0.00 C ATOM 700 CG GLN A 42 -10.154 -4.307 -8.581 1.00 0.00 C ATOM 701 CD GLN A 42 -9.477 -3.509 -9.699 1.00 0.00 C ATOM 702 OE1 GLN A 42 -9.805 -3.672 -10.857 1.00 0.00 O ATOM 703 NE2 GLN A 42 -8.540 -2.649 -9.405 1.00 0.00 N ATOM 0 H GLN A 42 -9.823 -0.687 -6.526 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.654 -2.373 -8.147 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.031 -3.223 -7.084 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.339 -4.188 -6.429 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.678 -5.282 -8.479 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -11.199 -4.488 -8.833 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.262 -2.510 -8.433 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.086 -2.116 -10.147 1.00 0.00 H new ATOM 712 N ALA A 43 -11.261 -1.733 -4.945 1.00 0.00 N ATOM 713 CA ALA A 43 -12.023 -1.676 -3.664 1.00 0.00 C ATOM 714 C ALA A 43 -13.468 -1.255 -3.945 1.00 0.00 C ATOM 715 O ALA A 43 -13.732 -0.140 -4.341 1.00 0.00 O ATOM 716 CB ALA A 43 -11.365 -0.660 -2.724 1.00 0.00 C ATOM 0 H ALA A 43 -10.323 -1.335 -4.912 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.019 -2.660 -3.195 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.921 -0.617 -1.787 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.338 -0.963 -2.523 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.368 0.324 -3.193 1.00 0.00 H new ATOM 722 N GLU A 44 -14.405 -2.144 -3.751 1.00 0.00 N ATOM 723 CA GLU A 44 -15.830 -1.790 -4.013 1.00 0.00 C ATOM 724 C GLU A 44 -16.346 -0.847 -2.921 1.00 0.00 C ATOM 725 O GLU A 44 -17.017 0.127 -3.196 1.00 0.00 O ATOM 726 CB GLU A 44 -16.677 -3.065 -4.024 1.00 0.00 C ATOM 727 CG GLU A 44 -16.252 -3.951 -5.197 1.00 0.00 C ATOM 728 CD GLU A 44 -17.142 -5.193 -5.247 1.00 0.00 C ATOM 729 OE1 GLU A 44 -17.902 -5.391 -4.313 1.00 0.00 O ATOM 730 OE2 GLU A 44 -17.050 -5.925 -6.219 1.00 0.00 O ATOM 0 H GLU A 44 -14.246 -3.097 -3.424 1.00 0.00 H new ATOM 0 HA GLU A 44 -15.902 -1.291 -4.979 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -16.554 -3.604 -3.084 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -17.734 -2.811 -4.110 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -16.330 -3.397 -6.132 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -15.208 -4.243 -5.086 1.00 0.00 H new ATOM 737 N GLY A 45 -16.040 -1.128 -1.682 1.00 0.00 N ATOM 738 CA GLY A 45 -16.518 -0.246 -0.577 1.00 0.00 C ATOM 739 C GLY A 45 -15.857 1.128 -0.696 1.00 0.00 C ATOM 740 O GLY A 45 -16.498 2.152 -0.568 1.00 0.00 O ATOM 0 H GLY A 45 -15.481 -1.929 -1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -17.602 -0.144 -0.622 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.280 -0.693 0.388 1.00 0.00 H new ATOM 744 N TYR A 46 -14.578 1.154 -0.948 1.00 0.00 N ATOM 745 CA TYR A 46 -13.864 2.454 -1.087 1.00 0.00 C ATOM 746 C TYR A 46 -13.655 2.757 -2.571 1.00 0.00 C ATOM 747 O TYR A 46 -13.348 1.882 -3.352 1.00 0.00 O ATOM 748 CB TYR A 46 -12.506 2.369 -0.386 1.00 0.00 C ATOM 749 CG TYR A 46 -11.655 3.544 -0.797 1.00 0.00 C ATOM 750 CD1 TYR A 46 -10.896 3.469 -1.970 1.00 0.00 C ATOM 751 CD2 TYR A 46 -11.627 4.708 -0.016 1.00 0.00 C ATOM 752 CE1 TYR A 46 -10.107 4.553 -2.365 1.00 0.00 C ATOM 753 CE2 TYR A 46 -10.837 5.794 -0.413 1.00 0.00 C ATOM 754 CZ TYR A 46 -10.078 5.717 -1.588 1.00 0.00 C ATOM 755 OH TYR A 46 -9.303 6.789 -1.979 1.00 0.00 O ATOM 0 H TYR A 46 -13.993 0.326 -1.064 1.00 0.00 H new ATOM 0 HA TYR A 46 -14.456 3.248 -0.631 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -12.642 2.365 0.695 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -12.007 1.436 -0.647 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.920 2.572 -2.571 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -12.213 4.767 0.889 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.520 4.493 -3.269 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -10.813 6.692 0.187 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.398 7.516 -1.329 1.00 0.00 H new ATOM 765 N SER A 47 -13.824 3.990 -2.966 1.00 0.00 N ATOM 766 CA SER A 47 -13.644 4.342 -4.403 1.00 0.00 C ATOM 767 C SER A 47 -12.337 5.114 -4.587 1.00 0.00 C ATOM 768 O SER A 47 -11.884 5.811 -3.701 1.00 0.00 O ATOM 769 CB SER A 47 -14.815 5.210 -4.863 1.00 0.00 C ATOM 770 OG SER A 47 -16.030 4.497 -4.676 1.00 0.00 O ATOM 0 H SER A 47 -14.079 4.767 -2.357 1.00 0.00 H new ATOM 0 HA SER A 47 -13.609 3.428 -4.996 1.00 0.00 H new ATOM 0 HB2 SER A 47 -14.836 6.142 -4.298 1.00 0.00 H new ATOM 0 HB3 SER A 47 -14.694 5.477 -5.913 1.00 0.00 H new ATOM 0 HG SER A 47 -16.783 5.052 -4.968 1.00 0.00 H new ATOM 776 N TYR A 48 -11.732 4.994 -5.735 1.00 0.00 N ATOM 777 CA TYR A 48 -10.453 5.714 -5.990 1.00 0.00 C ATOM 778 C TYR A 48 -10.738 6.925 -6.878 1.00 0.00 C ATOM 779 O TYR A 48 -11.804 7.051 -7.446 1.00 0.00 O ATOM 780 CB TYR A 48 -9.476 4.787 -6.713 1.00 0.00 C ATOM 781 CG TYR A 48 -9.340 3.494 -5.949 1.00 0.00 C ATOM 782 CD1 TYR A 48 -10.312 2.501 -6.089 1.00 0.00 C ATOM 783 CD2 TYR A 48 -8.240 3.281 -5.110 1.00 0.00 C ATOM 784 CE1 TYR A 48 -10.188 1.294 -5.393 1.00 0.00 C ATOM 785 CE2 TYR A 48 -8.115 2.075 -4.413 1.00 0.00 C ATOM 786 CZ TYR A 48 -9.088 1.080 -4.555 1.00 0.00 C ATOM 787 OH TYR A 48 -8.965 -0.110 -3.868 1.00 0.00 O ATOM 0 H TYR A 48 -12.070 4.426 -6.512 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.018 6.033 -5.043 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -9.830 4.587 -7.724 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.503 5.270 -6.806 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.161 2.665 -6.736 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.488 4.048 -5.001 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.941 0.528 -5.502 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -7.267 1.912 -3.765 1.00 0.00 H new ATOM 0 HH TYR A 48 -8.633 0.067 -2.963 1.00 0.00 H new ATOM 797 N THR A 49 -9.798 7.817 -7.003 1.00 0.00 N ATOM 798 CA THR A 49 -10.030 9.013 -7.857 1.00 0.00 C ATOM 799 C THR A 49 -10.113 8.572 -9.316 1.00 0.00 C ATOM 800 O THR A 49 -9.612 7.530 -9.689 1.00 0.00 O ATOM 801 CB THR A 49 -8.867 9.994 -7.711 1.00 0.00 C ATOM 802 OG1 THR A 49 -7.987 9.831 -8.813 1.00 0.00 O ATOM 803 CG2 THR A 49 -8.110 9.713 -6.413 1.00 0.00 C ATOM 0 H THR A 49 -8.884 7.771 -6.554 1.00 0.00 H new ATOM 0 HA THR A 49 -10.957 9.498 -7.549 1.00 0.00 H new ATOM 0 HB THR A 49 -9.251 11.014 -7.686 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.786 10.707 -9.203 1.00 0.00 H new ATOM 0 HG21 THR A 49 -7.282 10.416 -6.315 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.786 9.828 -5.566 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.721 8.695 -6.432 1.00 0.00 H new ATOM 811 N ASP A 50 -10.732 9.359 -10.147 1.00 0.00 N ATOM 812 CA ASP A 50 -10.833 8.986 -11.583 1.00 0.00 C ATOM 813 C ASP A 50 -9.424 8.804 -12.149 1.00 0.00 C ATOM 814 O ASP A 50 -9.195 7.999 -13.028 1.00 0.00 O ATOM 815 CB ASP A 50 -11.556 10.094 -12.350 1.00 0.00 C ATOM 816 CG ASP A 50 -13.017 10.158 -11.900 1.00 0.00 C ATOM 817 OD1 ASP A 50 -13.447 9.241 -11.220 1.00 0.00 O ATOM 818 OD2 ASP A 50 -13.680 11.123 -12.242 1.00 0.00 O ATOM 0 H ASP A 50 -11.172 10.244 -9.895 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.393 8.057 -11.685 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.068 11.052 -12.172 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.503 9.903 -13.422 1.00 0.00 H new ATOM 823 N ALA A 51 -8.480 9.558 -11.658 1.00 0.00 N ATOM 824 CA ALA A 51 -7.087 9.444 -12.174 1.00 0.00 C ATOM 825 C ALA A 51 -6.607 7.990 -12.085 1.00 0.00 C ATOM 826 O ALA A 51 -6.139 7.428 -13.055 1.00 0.00 O ATOM 827 CB ALA A 51 -6.169 10.347 -11.347 1.00 0.00 C ATOM 0 H ALA A 51 -8.613 10.250 -10.920 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.062 9.755 -13.218 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -5.148 10.268 -11.720 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.506 11.380 -11.428 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.199 10.037 -10.302 1.00 0.00 H new ATOM 833 N ASN A 52 -6.725 7.368 -10.943 1.00 0.00 N ATOM 834 CA ASN A 52 -6.276 5.947 -10.830 1.00 0.00 C ATOM 835 C ASN A 52 -7.044 5.082 -11.836 1.00 0.00 C ATOM 836 O ASN A 52 -6.491 4.197 -12.458 1.00 0.00 O ATOM 837 CB ASN A 52 -6.542 5.430 -9.413 1.00 0.00 C ATOM 838 CG ASN A 52 -6.065 3.979 -9.304 1.00 0.00 C ATOM 839 OD1 ASN A 52 -5.239 3.540 -10.080 1.00 0.00 O ATOM 840 ND2 ASN A 52 -6.555 3.210 -8.368 1.00 0.00 N ATOM 0 H ASN A 52 -7.109 7.776 -10.090 1.00 0.00 H new ATOM 0 HA ASN A 52 -5.208 5.893 -11.042 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.022 6.051 -8.684 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.606 5.493 -9.185 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.244 2.242 -8.289 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.248 3.578 -7.717 1.00 0.00 H new ATOM 847 N ILE A 53 -8.317 5.324 -11.986 1.00 0.00 N ATOM 848 CA ILE A 53 -9.134 4.510 -12.935 1.00 0.00 C ATOM 849 C ILE A 53 -8.775 4.838 -14.391 1.00 0.00 C ATOM 850 O ILE A 53 -8.593 3.955 -15.204 1.00 0.00 O ATOM 851 CB ILE A 53 -10.617 4.811 -12.707 1.00 0.00 C ATOM 852 CG1 ILE A 53 -10.961 4.636 -11.223 1.00 0.00 C ATOM 853 CG2 ILE A 53 -11.466 3.850 -13.540 1.00 0.00 C ATOM 854 CD1 ILE A 53 -10.453 3.279 -10.729 1.00 0.00 C ATOM 0 H ILE A 53 -8.830 6.053 -11.491 1.00 0.00 H new ATOM 0 HA ILE A 53 -8.926 3.455 -12.754 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.824 5.838 -13.007 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.510 5.438 -10.639 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.039 4.705 -11.080 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.522 4.064 -13.378 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -11.228 3.976 -14.596 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.254 2.824 -13.240 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -10.700 3.160 -9.674 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.925 2.482 -11.304 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -9.372 3.227 -10.856 1.00 0.00 H new ATOM 866 N LYS A 54 -8.693 6.097 -14.735 1.00 0.00 N ATOM 867 CA LYS A 54 -8.373 6.464 -16.144 1.00 0.00 C ATOM 868 C LYS A 54 -7.020 5.884 -16.559 1.00 0.00 C ATOM 869 O LYS A 54 -6.860 5.389 -17.657 1.00 0.00 O ATOM 870 CB LYS A 54 -8.337 7.987 -16.273 1.00 0.00 C ATOM 871 CG LYS A 54 -9.749 8.550 -16.093 1.00 0.00 C ATOM 872 CD LYS A 54 -9.728 10.063 -16.318 1.00 0.00 C ATOM 873 CE LYS A 54 -11.113 10.643 -16.026 1.00 0.00 C ATOM 874 NZ LYS A 54 -11.003 11.687 -14.969 1.00 0.00 N ATOM 0 H LYS A 54 -8.834 6.884 -14.102 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.142 6.053 -16.798 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.668 8.410 -15.524 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.943 8.270 -17.249 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.433 8.076 -16.797 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -10.116 8.326 -15.092 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.984 10.527 -15.670 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -9.439 10.284 -17.345 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.537 11.073 -16.933 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.789 9.852 -15.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.909 11.766 -14.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -10.254 11.424 -14.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.770 12.601 -15.407 1.00 0.00 H new ATOM 888 N LYS A 55 -6.046 5.937 -15.698 1.00 0.00 N ATOM 889 CA LYS A 55 -4.711 5.383 -16.060 1.00 0.00 C ATOM 890 C LYS A 55 -4.837 3.887 -16.348 1.00 0.00 C ATOM 891 O LYS A 55 -4.144 3.346 -17.186 1.00 0.00 O ATOM 892 CB LYS A 55 -3.728 5.615 -14.910 1.00 0.00 C ATOM 893 CG LYS A 55 -3.457 7.115 -14.775 1.00 0.00 C ATOM 894 CD LYS A 55 -2.388 7.352 -13.707 1.00 0.00 C ATOM 895 CE LYS A 55 -2.186 8.858 -13.520 1.00 0.00 C ATOM 896 NZ LYS A 55 -0.848 9.249 -14.047 1.00 0.00 N ATOM 0 H LYS A 55 -6.114 6.338 -14.762 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.339 5.887 -16.952 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.139 5.222 -13.980 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.797 5.080 -15.098 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.126 7.522 -15.731 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.375 7.637 -14.506 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.690 6.894 -12.765 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.451 6.882 -14.004 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.969 9.408 -14.042 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.263 9.118 -12.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.572 10.168 -13.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.146 8.530 -13.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.891 9.322 -15.084 1.00 0.00 H new ATOM 910 N ASN A 56 -5.716 3.213 -15.660 1.00 0.00 N ATOM 911 CA ASN A 56 -5.883 1.751 -15.896 1.00 0.00 C ATOM 912 C ASN A 56 -4.531 1.057 -15.748 1.00 0.00 C ATOM 913 O ASN A 56 -4.125 0.280 -16.589 1.00 0.00 O ATOM 914 CB ASN A 56 -6.423 1.508 -17.306 1.00 0.00 C ATOM 915 CG ASN A 56 -7.060 0.118 -17.368 1.00 0.00 C ATOM 916 OD1 ASN A 56 -6.307 -0.924 -17.594 1.00 0.00 O flip ATOM 917 ND2 ASN A 56 -8.255 -0.023 -17.196 1.00 0.00 N flip ATOM 0 H ASN A 56 -6.326 3.610 -14.945 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.587 1.349 -15.167 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.159 2.270 -17.563 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.617 1.585 -18.035 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.844 0.791 -17.019 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.668 -0.955 -17.228 1.00 0.00 H new ATOM 924 N VAL A 57 -3.827 1.335 -14.688 1.00 0.00 N ATOM 925 CA VAL A 57 -2.501 0.695 -14.490 1.00 0.00 C ATOM 926 C VAL A 57 -2.659 -0.505 -13.559 1.00 0.00 C ATOM 927 O VAL A 57 -3.553 -0.554 -12.742 1.00 0.00 O ATOM 928 CB VAL A 57 -1.532 1.698 -13.863 1.00 0.00 C ATOM 929 CG1 VAL A 57 -1.894 1.908 -12.392 1.00 0.00 C ATOM 930 CG2 VAL A 57 -0.106 1.154 -13.960 1.00 0.00 C ATOM 0 H VAL A 57 -4.114 1.978 -13.950 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.108 0.368 -15.453 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.599 2.648 -14.393 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.203 2.623 -11.946 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.911 2.293 -12.319 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.826 0.958 -11.861 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.587 1.867 -13.514 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.042 0.205 -13.428 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.155 1.002 -15.007 1.00 0.00 H new ATOM 940 N LEU A 58 -1.805 -1.479 -13.681 1.00 0.00 N ATOM 941 CA LEU A 58 -1.917 -2.672 -12.801 1.00 0.00 C ATOM 942 C LEU A 58 -1.075 -2.458 -11.543 1.00 0.00 C ATOM 943 O LEU A 58 0.091 -2.126 -11.616 1.00 0.00 O ATOM 944 CB LEU A 58 -1.413 -3.905 -13.557 1.00 0.00 C ATOM 945 CG LEU A 58 -1.513 -5.145 -12.664 1.00 0.00 C ATOM 946 CD1 LEU A 58 -2.979 -5.427 -12.340 1.00 0.00 C ATOM 947 CD2 LEU A 58 -0.916 -6.349 -13.395 1.00 0.00 C ATOM 0 H LEU A 58 -1.036 -1.501 -14.350 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.958 -2.822 -12.515 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.001 -4.051 -14.463 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.379 -3.753 -13.868 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.964 -4.969 -11.739 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.048 -6.310 -11.704 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.408 -4.571 -11.819 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.529 -5.602 -13.265 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.987 -7.232 -12.760 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.466 -6.522 -14.320 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.131 -6.152 -13.627 1.00 0.00 H new ATOM 959 N TRP A 59 -1.654 -2.656 -10.390 1.00 0.00 N ATOM 960 CA TRP A 59 -0.884 -2.477 -9.127 1.00 0.00 C ATOM 961 C TRP A 59 -0.141 -3.773 -8.810 1.00 0.00 C ATOM 962 O TRP A 59 -0.625 -4.857 -9.074 1.00 0.00 O ATOM 963 CB TRP A 59 -1.839 -2.151 -7.975 1.00 0.00 C ATOM 964 CG TRP A 59 -2.136 -0.687 -7.949 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.361 -0.144 -8.110 1.00 0.00 C ATOM 966 CD2 TRP A 59 -1.220 0.424 -7.739 1.00 0.00 C ATOM 967 NE1 TRP A 59 -3.261 1.233 -8.025 1.00 0.00 N ATOM 968 CE2 TRP A 59 -1.958 1.631 -7.794 1.00 0.00 C ATOM 969 CE3 TRP A 59 0.166 0.504 -7.511 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -1.345 2.869 -7.630 1.00 0.00 C ATOM 971 CZ3 TRP A 59 0.787 1.750 -7.344 1.00 0.00 C ATOM 972 CH2 TRP A 59 0.034 2.931 -7.403 1.00 0.00 C ATOM 0 H TRP A 59 -2.628 -2.934 -10.268 1.00 0.00 H new ATOM 0 HA TRP A 59 -0.175 -1.658 -9.249 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.765 -2.715 -8.090 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.395 -2.456 -7.027 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.274 -0.696 -8.278 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.049 1.873 -8.121 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.755 -0.400 -7.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -1.930 3.776 -7.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.852 1.800 -7.169 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.518 3.888 -7.273 1.00 0.00 H new ATOM 983 N ASP A 60 1.028 -3.677 -8.245 1.00 0.00 N ATOM 984 CA ASP A 60 1.792 -4.907 -7.913 1.00 0.00 C ATOM 985 C ASP A 60 2.755 -4.606 -6.776 1.00 0.00 C ATOM 986 O ASP A 60 2.904 -3.477 -6.351 1.00 0.00 O ATOM 987 CB ASP A 60 2.585 -5.378 -9.131 1.00 0.00 C ATOM 988 CG ASP A 60 3.251 -6.721 -8.822 1.00 0.00 C ATOM 989 OD1 ASP A 60 2.789 -7.395 -7.916 1.00 0.00 O ATOM 990 OD2 ASP A 60 4.211 -7.052 -9.497 1.00 0.00 O ATOM 0 H ASP A 60 1.487 -2.800 -7.999 1.00 0.00 H new ATOM 0 HA ASP A 60 1.095 -5.691 -7.615 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.924 -5.478 -9.992 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.341 -4.638 -9.394 1.00 0.00 H new ATOM 995 N GLU A 61 3.410 -5.607 -6.280 1.00 0.00 N ATOM 996 CA GLU A 61 4.368 -5.382 -5.168 1.00 0.00 C ATOM 997 C GLU A 61 5.488 -4.463 -5.657 1.00 0.00 C ATOM 998 O GLU A 61 5.946 -3.591 -4.945 1.00 0.00 O ATOM 999 CB GLU A 61 4.953 -6.723 -4.722 1.00 0.00 C ATOM 1000 CG GLU A 61 3.828 -7.623 -4.202 1.00 0.00 C ATOM 1001 CD GLU A 61 3.135 -6.952 -3.013 1.00 0.00 C ATOM 1002 OE1 GLU A 61 3.757 -6.110 -2.387 1.00 0.00 O ATOM 1003 OE2 GLU A 61 1.997 -7.295 -2.745 1.00 0.00 O ATOM 0 H GLU A 61 3.326 -6.574 -6.594 1.00 0.00 H new ATOM 0 HA GLU A 61 3.858 -4.918 -4.324 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.463 -7.205 -5.556 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.698 -6.566 -3.942 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.106 -7.813 -4.996 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.233 -8.589 -3.901 1.00 0.00 H new ATOM 1010 N ASN A 62 5.923 -4.645 -6.873 1.00 0.00 N ATOM 1011 CA ASN A 62 7.002 -3.774 -7.417 1.00 0.00 C ATOM 1012 C ASN A 62 6.466 -2.353 -7.600 1.00 0.00 C ATOM 1013 O ASN A 62 7.131 -1.381 -7.298 1.00 0.00 O ATOM 1014 CB ASN A 62 7.460 -4.320 -8.769 1.00 0.00 C ATOM 1015 CG ASN A 62 8.139 -5.677 -8.570 1.00 0.00 C ATOM 1016 OD1 ASN A 62 8.532 -6.017 -7.471 1.00 0.00 O ATOM 1017 ND2 ASN A 62 8.295 -6.472 -9.593 1.00 0.00 N ATOM 0 H ASN A 62 5.578 -5.360 -7.514 1.00 0.00 H new ATOM 0 HA ASN A 62 7.843 -3.760 -6.724 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.606 -4.424 -9.439 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.152 -3.621 -9.240 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.747 -7.378 -9.470 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.965 -6.187 -10.515 1.00 0.00 H new ATOM 1024 N ASN A 63 5.267 -2.230 -8.095 1.00 0.00 N ATOM 1025 CA ASN A 63 4.677 -0.877 -8.305 1.00 0.00 C ATOM 1026 C ASN A 63 4.631 -0.132 -6.973 1.00 0.00 C ATOM 1027 O ASN A 63 4.851 1.061 -6.909 1.00 0.00 O ATOM 1028 CB ASN A 63 3.253 -1.018 -8.842 1.00 0.00 C ATOM 1029 CG ASN A 63 3.280 -1.726 -10.197 1.00 0.00 C ATOM 1030 OD1 ASN A 63 2.205 -2.328 -10.621 1.00 0.00 O flip ATOM 1031 ND2 ASN A 63 4.289 -1.734 -10.873 1.00 0.00 N flip ATOM 0 H ASN A 63 4.667 -3.010 -8.364 1.00 0.00 H new ATOM 0 HA ASN A 63 5.288 -0.325 -9.019 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.643 -1.584 -8.138 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.794 -0.035 -8.944 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.130 -1.262 -10.540 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.296 -2.212 -11.774 1.00 0.00 H new ATOM 1038 N MET A 64 4.346 -0.828 -5.909 1.00 0.00 N ATOM 1039 CA MET A 64 4.283 -0.159 -4.582 1.00 0.00 C ATOM 1040 C MET A 64 5.634 0.493 -4.286 1.00 0.00 C ATOM 1041 O MET A 64 5.702 1.571 -3.730 1.00 0.00 O ATOM 1042 CB MET A 64 3.962 -1.194 -3.503 1.00 0.00 C ATOM 1043 CG MET A 64 2.473 -1.555 -3.542 1.00 0.00 C ATOM 1044 SD MET A 64 1.810 -1.273 -5.203 1.00 0.00 S ATOM 1045 CE MET A 64 0.076 -1.608 -4.811 1.00 0.00 C ATOM 0 H MET A 64 4.154 -1.830 -5.901 1.00 0.00 H new ATOM 0 HA MET A 64 3.504 0.603 -4.590 1.00 0.00 H new ATOM 0 HB2 MET A 64 4.565 -2.089 -3.657 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.222 -0.799 -2.521 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.336 -2.599 -3.259 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.926 -0.954 -2.816 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.238 -2.527 -5.307 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.038 -1.720 -3.733 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.542 -0.779 -5.157 1.00 0.00 H new ATOM 1055 N SER A 65 6.709 -0.139 -4.665 1.00 0.00 N ATOM 1056 CA SER A 65 8.042 0.472 -4.412 1.00 0.00 C ATOM 1057 C SER A 65 8.095 1.821 -5.128 1.00 0.00 C ATOM 1058 O SER A 65 8.578 2.802 -4.599 1.00 0.00 O ATOM 1059 CB SER A 65 9.139 -0.443 -4.958 1.00 0.00 C ATOM 1060 OG SER A 65 10.409 0.056 -4.557 1.00 0.00 O ATOM 0 H SER A 65 6.723 -1.044 -5.135 1.00 0.00 H new ATOM 0 HA SER A 65 8.197 0.608 -3.342 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.000 -1.458 -4.586 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.081 -0.491 -6.045 1.00 0.00 H new ATOM 0 HG SER A 65 11.115 -0.529 -4.904 1.00 0.00 H new ATOM 1066 N GLU A 66 7.580 1.873 -6.326 1.00 0.00 N ATOM 1067 CA GLU A 66 7.573 3.155 -7.083 1.00 0.00 C ATOM 1068 C GLU A 66 6.628 4.139 -6.397 1.00 0.00 C ATOM 1069 O GLU A 66 6.837 5.334 -6.417 1.00 0.00 O ATOM 1070 CB GLU A 66 7.089 2.906 -8.513 1.00 0.00 C ATOM 1071 CG GLU A 66 7.215 4.196 -9.327 1.00 0.00 C ATOM 1072 CD GLU A 66 6.637 3.977 -10.726 1.00 0.00 C ATOM 1073 OE1 GLU A 66 6.161 2.884 -10.985 1.00 0.00 O ATOM 1074 OE2 GLU A 66 6.680 4.906 -11.515 1.00 0.00 O ATOM 0 H GLU A 66 7.163 1.080 -6.814 1.00 0.00 H new ATOM 0 HA GLU A 66 8.582 3.566 -7.108 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.678 2.113 -8.975 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.052 2.569 -8.504 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.686 5.007 -8.827 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.261 4.493 -9.397 1.00 0.00 H new ATOM 1081 N TYR A 67 5.578 3.643 -5.802 1.00 0.00 N ATOM 1082 CA TYR A 67 4.607 4.548 -5.126 1.00 0.00 C ATOM 1083 C TYR A 67 5.290 5.322 -3.998 1.00 0.00 C ATOM 1084 O TYR A 67 5.205 6.532 -3.923 1.00 0.00 O ATOM 1085 CB TYR A 67 3.472 3.720 -4.524 1.00 0.00 C ATOM 1086 CG TYR A 67 2.581 4.632 -3.721 1.00 0.00 C ATOM 1087 CD1 TYR A 67 2.953 5.005 -2.426 1.00 0.00 C ATOM 1088 CD2 TYR A 67 1.390 5.109 -4.271 1.00 0.00 C ATOM 1089 CE1 TYR A 67 2.135 5.861 -1.682 1.00 0.00 C ATOM 1090 CE2 TYR A 67 0.568 5.965 -3.527 1.00 0.00 C ATOM 1091 CZ TYR A 67 0.942 6.342 -2.233 1.00 0.00 C ATOM 1092 OH TYR A 67 0.133 7.185 -1.499 1.00 0.00 O ATOM 0 H TYR A 67 5.351 2.650 -5.755 1.00 0.00 H new ATOM 0 HA TYR A 67 4.219 5.249 -5.865 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.900 3.233 -5.314 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.875 2.931 -3.889 1.00 0.00 H new ATOM 0 HD1 TYR A 67 3.873 4.632 -2.000 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.102 4.818 -5.270 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.424 6.151 -0.683 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.354 6.334 -3.952 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.468 6.654 -0.936 1.00 0.00 H new ATOM 1102 N LEU A 68 5.951 4.634 -3.112 1.00 0.00 N ATOM 1103 CA LEU A 68 6.622 5.327 -1.981 1.00 0.00 C ATOM 1104 C LEU A 68 7.733 6.235 -2.509 1.00 0.00 C ATOM 1105 O LEU A 68 7.906 7.349 -2.055 1.00 0.00 O ATOM 1106 CB LEU A 68 7.206 4.274 -1.040 1.00 0.00 C ATOM 1107 CG LEU A 68 6.064 3.462 -0.415 1.00 0.00 C ATOM 1108 CD1 LEU A 68 6.630 2.245 0.314 1.00 0.00 C ATOM 1109 CD2 LEU A 68 5.294 4.327 0.589 1.00 0.00 C ATOM 0 H LEU A 68 6.055 3.619 -3.123 1.00 0.00 H new ATOM 0 HA LEU A 68 5.901 5.943 -1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.879 3.614 -1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.795 4.755 -0.259 1.00 0.00 H new ATOM 0 HG LEU A 68 5.393 3.137 -1.210 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.814 1.673 0.755 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.172 1.617 -0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.308 2.575 1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.485 3.743 1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.970 4.659 1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.878 5.195 0.078 1.00 0.00 H new ATOM 1121 N THR A 69 8.483 5.771 -3.464 1.00 0.00 N ATOM 1122 CA THR A 69 9.580 6.611 -4.023 1.00 0.00 C ATOM 1123 C THR A 69 8.988 7.704 -4.918 1.00 0.00 C ATOM 1124 O THR A 69 9.477 8.816 -4.963 1.00 0.00 O ATOM 1125 CB THR A 69 10.525 5.733 -4.847 1.00 0.00 C ATOM 1126 OG1 THR A 69 9.831 5.231 -5.981 1.00 0.00 O ATOM 1127 CG2 THR A 69 11.018 4.567 -3.991 1.00 0.00 C ATOM 0 H THR A 69 8.386 4.846 -3.884 1.00 0.00 H new ATOM 0 HA THR A 69 10.132 7.074 -3.205 1.00 0.00 H new ATOM 0 HB THR A 69 11.379 6.325 -5.175 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.434 4.669 -6.511 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.691 3.943 -4.579 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.549 4.953 -3.121 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.166 3.972 -3.661 1.00 0.00 H new ATOM 1135 N ASN A 70 7.940 7.395 -5.634 1.00 0.00 N ATOM 1136 CA ASN A 70 7.320 8.414 -6.529 1.00 0.00 C ATOM 1137 C ASN A 70 5.817 8.149 -6.659 1.00 0.00 C ATOM 1138 O ASN A 70 5.399 7.193 -7.282 1.00 0.00 O ATOM 1139 CB ASN A 70 7.970 8.339 -7.912 1.00 0.00 C ATOM 1140 CG ASN A 70 7.603 9.587 -8.719 1.00 0.00 C ATOM 1141 OD1 ASN A 70 7.942 10.691 -8.340 1.00 0.00 O ATOM 1142 ND2 ASN A 70 6.918 9.457 -9.822 1.00 0.00 N ATOM 0 H ASN A 70 7.487 6.481 -5.638 1.00 0.00 H new ATOM 0 HA ASN A 70 7.474 9.406 -6.103 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.053 8.263 -7.813 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.634 7.443 -8.435 1.00 0.00 H new ATOM 0 HD21 ASN A 70 6.667 10.282 -10.367 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.634 8.530 -10.140 1.00 0.00 H new ATOM 1149 N HIS A 71 5.001 8.987 -6.080 1.00 0.00 N ATOM 1150 CA HIS A 71 3.526 8.780 -6.180 1.00 0.00 C ATOM 1151 C HIS A 71 2.835 10.133 -6.374 1.00 0.00 C ATOM 1152 O HIS A 71 1.929 10.483 -5.645 1.00 0.00 O ATOM 1153 CB HIS A 71 3.012 8.125 -4.895 1.00 0.00 C ATOM 1154 CG HIS A 71 3.711 8.729 -3.708 1.00 0.00 C ATOM 1155 ND1 HIS A 71 5.090 8.879 -3.659 1.00 0.00 N ATOM 1156 CD2 HIS A 71 3.236 9.221 -2.517 1.00 0.00 C ATOM 1157 CE1 HIS A 71 5.394 9.441 -2.474 1.00 0.00 C ATOM 1158 NE2 HIS A 71 4.301 9.669 -1.744 1.00 0.00 N ATOM 0 H HIS A 71 5.290 9.805 -5.543 1.00 0.00 H new ATOM 0 HA HIS A 71 3.307 8.133 -7.029 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.935 8.268 -4.807 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.189 7.050 -4.926 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.196 9.255 -2.226 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.398 9.678 -2.154 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.256 10.085 -0.814 1.00 0.00 H new ATOM 1167 N ALA A 72 3.260 10.896 -7.348 1.00 0.00 N ATOM 1168 CA ALA A 72 2.632 12.230 -7.585 1.00 0.00 C ATOM 1169 C ALA A 72 1.938 12.251 -8.951 1.00 0.00 C ATOM 1170 O ALA A 72 0.800 11.859 -9.083 1.00 0.00 O ATOM 1171 CB ALA A 72 3.713 13.313 -7.550 1.00 0.00 C ATOM 0 H ALA A 72 4.015 10.653 -7.989 1.00 0.00 H new ATOM 0 HA ALA A 72 1.893 12.419 -6.806 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.257 14.288 -7.723 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.201 13.308 -6.575 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.452 13.115 -8.327 1.00 0.00 H new ATOM 1177 N LYS A 73 2.611 12.718 -9.966 1.00 0.00 N ATOM 1178 CA LYS A 73 1.983 12.776 -11.321 1.00 0.00 C ATOM 1179 C LYS A 73 1.560 11.374 -11.772 1.00 0.00 C ATOM 1180 O LYS A 73 0.559 11.202 -12.440 1.00 0.00 O ATOM 1181 CB LYS A 73 2.988 13.349 -12.322 1.00 0.00 C ATOM 1182 CG LYS A 73 2.308 13.531 -13.681 1.00 0.00 C ATOM 1183 CD LYS A 73 3.330 14.043 -14.699 1.00 0.00 C ATOM 1184 CE LYS A 73 2.620 14.371 -16.013 1.00 0.00 C ATOM 1185 NZ LYS A 73 3.614 14.389 -17.123 1.00 0.00 N ATOM 0 H LYS A 73 3.570 13.063 -9.918 1.00 0.00 H new ATOM 0 HA LYS A 73 1.101 13.414 -11.275 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.370 14.305 -11.963 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.843 12.680 -12.418 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.886 12.584 -14.018 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.481 14.236 -13.594 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.831 14.931 -14.313 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.100 13.290 -14.867 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.846 13.631 -16.215 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.124 15.339 -15.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.132 14.612 -18.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.337 15.111 -16.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.068 13.456 -17.198 1.00 0.00 H new ATOM 1199 N TYR A 74 2.322 10.376 -11.428 1.00 0.00 N ATOM 1200 CA TYR A 74 1.980 8.986 -11.848 1.00 0.00 C ATOM 1201 C TYR A 74 0.565 8.611 -11.390 1.00 0.00 C ATOM 1202 O TYR A 74 -0.200 8.027 -12.132 1.00 0.00 O ATOM 1203 CB TYR A 74 2.999 8.025 -11.229 1.00 0.00 C ATOM 1204 CG TYR A 74 2.464 6.614 -11.244 1.00 0.00 C ATOM 1205 CD1 TYR A 74 1.860 6.093 -12.396 1.00 0.00 C ATOM 1206 CD2 TYR A 74 2.575 5.825 -10.095 1.00 0.00 C ATOM 1207 CE1 TYR A 74 1.368 4.781 -12.394 1.00 0.00 C ATOM 1208 CE2 TYR A 74 2.083 4.516 -10.092 1.00 0.00 C ATOM 1209 CZ TYR A 74 1.479 3.993 -11.243 1.00 0.00 C ATOM 1210 OH TYR A 74 0.995 2.701 -11.240 1.00 0.00 O ATOM 0 H TYR A 74 3.172 10.461 -10.871 1.00 0.00 H new ATOM 0 HA TYR A 74 2.011 8.920 -12.936 1.00 0.00 H new ATOM 0 HB2 TYR A 74 3.936 8.072 -11.783 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.219 8.327 -10.205 1.00 0.00 H new ATOM 0 HD1 TYR A 74 1.774 6.702 -13.284 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.042 6.227 -9.208 1.00 0.00 H new ATOM 0 HE1 TYR A 74 0.903 4.378 -13.281 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.169 3.909 -9.203 1.00 0.00 H new ATOM 0 HH TYR A 74 1.154 2.294 -10.363 1.00 0.00 H new ATOM 1220 N ILE A 75 0.215 8.929 -10.174 1.00 0.00 N ATOM 1221 CA ILE A 75 -1.149 8.579 -9.663 1.00 0.00 C ATOM 1222 C ILE A 75 -1.835 9.836 -9.123 1.00 0.00 C ATOM 1223 O ILE A 75 -1.198 10.834 -8.869 1.00 0.00 O ATOM 1224 CB ILE A 75 -0.993 7.570 -8.530 1.00 0.00 C ATOM 1225 CG1 ILE A 75 0.405 7.712 -7.942 1.00 0.00 C ATOM 1226 CG2 ILE A 75 -1.179 6.145 -9.066 1.00 0.00 C ATOM 1227 CD1 ILE A 75 0.470 6.946 -6.629 1.00 0.00 C ATOM 0 H ILE A 75 0.813 9.417 -9.508 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.752 8.159 -10.468 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.745 7.759 -7.764 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.148 7.326 -8.640 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.639 8.764 -7.776 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.066 5.432 -8.250 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.174 6.046 -9.499 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.429 5.943 -9.831 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.468 7.042 -6.201 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.264 7.353 -5.934 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.253 5.893 -6.811 1.00 0.00 H new ATOM 1239 N PRO A 76 -3.128 9.787 -8.932 1.00 0.00 N ATOM 1240 CA PRO A 76 -3.902 10.932 -8.399 1.00 0.00 C ATOM 1241 C PRO A 76 -3.120 11.711 -7.338 1.00 0.00 C ATOM 1242 O PRO A 76 -2.225 11.187 -6.705 1.00 0.00 O ATOM 1243 CB PRO A 76 -5.141 10.282 -7.769 1.00 0.00 C ATOM 1244 CG PRO A 76 -5.123 8.829 -8.167 1.00 0.00 C ATOM 1245 CD PRO A 76 -4.009 8.650 -9.200 1.00 0.00 C ATOM 0 HA PRO A 76 -4.139 11.654 -9.180 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -5.122 10.385 -6.684 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.052 10.767 -8.119 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.946 8.195 -7.298 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.085 8.534 -8.586 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.491 7.699 -9.075 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.396 8.670 -10.219 1.00 0.00 H new ATOM 1253 N GLY A 77 -3.454 12.954 -7.136 1.00 0.00 N ATOM 1254 CA GLY A 77 -2.732 13.760 -6.113 1.00 0.00 C ATOM 1255 C GLY A 77 -3.006 13.179 -4.725 1.00 0.00 C ATOM 1256 O GLY A 77 -2.680 13.772 -3.717 1.00 0.00 O ATOM 0 H GLY A 77 -4.195 13.447 -7.634 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.661 13.753 -6.318 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.058 14.799 -6.156 1.00 0.00 H new ATOM 1260 N THR A 78 -3.608 12.022 -4.668 1.00 0.00 N ATOM 1261 CA THR A 78 -3.912 11.397 -3.350 1.00 0.00 C ATOM 1262 C THR A 78 -2.729 11.581 -2.397 1.00 0.00 C ATOM 1263 O THR A 78 -1.583 11.443 -2.780 1.00 0.00 O ATOM 1264 CB THR A 78 -4.166 9.901 -3.549 1.00 0.00 C ATOM 1265 OG1 THR A 78 -4.745 9.360 -2.369 1.00 0.00 O ATOM 1266 CG2 THR A 78 -2.841 9.194 -3.843 1.00 0.00 C ATOM 0 H THR A 78 -3.903 11.481 -5.481 1.00 0.00 H new ATOM 0 HA THR A 78 -4.795 11.873 -2.924 1.00 0.00 H new ATOM 0 HB THR A 78 -4.847 9.754 -4.387 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.910 8.402 -2.495 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.021 8.128 -3.985 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.399 9.611 -4.748 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.158 9.338 -3.006 1.00 0.00 H new ATOM 1274 N LYS A 79 -3.002 11.884 -1.156 1.00 0.00 N ATOM 1275 CA LYS A 79 -1.905 12.071 -0.163 1.00 0.00 C ATOM 1276 C LYS A 79 -2.134 11.130 1.020 1.00 0.00 C ATOM 1277 O LYS A 79 -3.258 10.818 1.364 1.00 0.00 O ATOM 1278 CB LYS A 79 -1.899 13.519 0.334 1.00 0.00 C ATOM 1279 CG LYS A 79 -1.623 14.463 -0.837 1.00 0.00 C ATOM 1280 CD LYS A 79 -1.478 15.894 -0.316 1.00 0.00 C ATOM 1281 CE LYS A 79 -1.321 16.854 -1.497 1.00 0.00 C ATOM 1282 NZ LYS A 79 -0.419 16.247 -2.515 1.00 0.00 N ATOM 0 H LYS A 79 -3.944 12.011 -0.786 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.947 11.848 -0.633 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.859 13.761 0.791 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.138 13.647 1.104 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.714 14.160 -1.356 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.436 14.409 -1.561 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.352 16.167 0.275 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.613 15.967 0.343 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.295 17.066 -1.939 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.912 17.805 -1.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.042 16.993 -3.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.368 15.763 -2.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.952 15.561 -3.086 1.00 0.00 H new ATOM 1296 N MET A 80 -1.081 10.678 1.649 1.00 0.00 N ATOM 1297 CA MET A 80 -1.241 9.760 2.814 1.00 0.00 C ATOM 1298 C MET A 80 -0.567 10.387 4.036 1.00 0.00 C ATOM 1299 O MET A 80 0.266 11.262 3.914 1.00 0.00 O ATOM 1300 CB MET A 80 -0.572 8.416 2.510 1.00 0.00 C ATOM 1301 CG MET A 80 -1.074 7.884 1.165 1.00 0.00 C ATOM 1302 SD MET A 80 -0.644 6.129 0.986 1.00 0.00 S ATOM 1303 CE MET A 80 1.019 6.187 1.701 1.00 0.00 C ATOM 0 H MET A 80 -0.117 10.905 1.406 1.00 0.00 H new ATOM 0 HA MET A 80 -2.302 9.601 3.009 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.511 8.535 2.484 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.795 7.700 3.301 1.00 0.00 H new ATOM 0 HG2 MET A 80 -2.154 8.010 1.096 1.00 0.00 H new ATOM 0 HG3 MET A 80 -0.633 8.459 0.351 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.563 5.281 1.432 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.550 7.057 1.316 1.00 0.00 H new ATOM 0 HE3 MET A 80 0.946 6.257 2.786 1.00 0.00 H new ATOM 1313 N ALA A 81 -0.915 9.946 5.211 1.00 0.00 N ATOM 1314 CA ALA A 81 -0.287 10.518 6.434 1.00 0.00 C ATOM 1315 C ALA A 81 0.946 9.690 6.795 1.00 0.00 C ATOM 1316 O ALA A 81 1.327 9.592 7.944 1.00 0.00 O ATOM 1317 CB ALA A 81 -1.287 10.481 7.591 1.00 0.00 C ATOM 0 H ALA A 81 -1.606 9.215 5.378 1.00 0.00 H new ATOM 0 HA ALA A 81 0.005 11.551 6.248 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.825 10.900 8.485 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.168 11.067 7.329 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -1.582 9.450 7.785 1.00 0.00 H new ATOM 1323 N PHE A 82 1.571 9.089 5.819 1.00 0.00 N ATOM 1324 CA PHE A 82 2.776 8.263 6.104 1.00 0.00 C ATOM 1325 C PHE A 82 4.027 9.119 5.910 1.00 0.00 C ATOM 1326 O PHE A 82 4.207 9.747 4.886 1.00 0.00 O ATOM 1327 CB PHE A 82 2.822 7.078 5.135 1.00 0.00 C ATOM 1328 CG PHE A 82 3.838 6.067 5.613 1.00 0.00 C ATOM 1329 CD1 PHE A 82 3.441 5.054 6.494 1.00 0.00 C ATOM 1330 CD2 PHE A 82 5.169 6.132 5.175 1.00 0.00 C ATOM 1331 CE1 PHE A 82 4.370 4.110 6.940 1.00 0.00 C ATOM 1332 CE2 PHE A 82 6.099 5.184 5.623 1.00 0.00 C ATOM 1333 CZ PHE A 82 5.699 4.173 6.505 1.00 0.00 C ATOM 0 H PHE A 82 1.298 9.135 4.837 1.00 0.00 H new ATOM 0 HA PHE A 82 2.734 7.895 7.129 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.838 6.614 5.066 1.00 0.00 H new ATOM 0 HB3 PHE A 82 3.082 7.424 4.135 1.00 0.00 H new ATOM 0 HD1 PHE A 82 2.416 5.002 6.829 1.00 0.00 H new ATOM 0 HD2 PHE A 82 5.477 6.911 4.494 1.00 0.00 H new ATOM 0 HE1 PHE A 82 4.062 3.331 7.621 1.00 0.00 H new ATOM 0 HE2 PHE A 82 7.124 5.233 5.288 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.415 3.442 6.850 1.00 0.00 H new ATOM 1343 N GLY A 83 4.896 9.144 6.881 1.00 0.00 N ATOM 1344 CA GLY A 83 6.136 9.955 6.743 1.00 0.00 C ATOM 1345 C GLY A 83 7.182 9.135 5.990 1.00 0.00 C ATOM 1346 O GLY A 83 6.996 8.781 4.843 1.00 0.00 O ATOM 0 H GLY A 83 4.801 8.639 7.762 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.924 10.880 6.206 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.514 10.237 7.726 1.00 0.00 H new ATOM 1350 N GLY A 84 8.275 8.823 6.628 1.00 0.00 N ATOM 1351 CA GLY A 84 9.327 8.017 5.952 1.00 0.00 C ATOM 1352 C GLY A 84 9.825 6.937 6.911 1.00 0.00 C ATOM 1353 O GLY A 84 9.640 7.024 8.109 1.00 0.00 O ATOM 0 H GLY A 84 8.485 9.092 7.589 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.927 7.560 5.047 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.154 8.659 5.647 1.00 0.00 H new ATOM 1357 N LEU A 85 10.447 5.914 6.396 1.00 0.00 N ATOM 1358 CA LEU A 85 10.946 4.829 7.280 1.00 0.00 C ATOM 1359 C LEU A 85 12.444 4.997 7.530 1.00 0.00 C ATOM 1360 O LEU A 85 13.237 5.039 6.611 1.00 0.00 O ATOM 1361 CB LEU A 85 10.696 3.486 6.598 1.00 0.00 C ATOM 1362 CG LEU A 85 9.218 3.112 6.736 1.00 0.00 C ATOM 1363 CD1 LEU A 85 8.805 2.188 5.589 1.00 0.00 C ATOM 1364 CD2 LEU A 85 9.008 2.380 8.065 1.00 0.00 C ATOM 0 H LEU A 85 10.631 5.784 5.401 1.00 0.00 H new ATOM 0 HA LEU A 85 10.423 4.872 8.235 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.971 3.544 5.545 1.00 0.00 H new ATOM 0 HB3 LEU A 85 11.321 2.715 7.049 1.00 0.00 H new ATOM 0 HG LEU A 85 8.614 4.019 6.706 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.752 1.926 5.694 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.959 2.697 4.638 1.00 0.00 H new ATOM 0 HD13 LEU A 85 9.409 1.281 5.617 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.957 2.111 8.170 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.618 1.477 8.083 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.300 3.031 8.889 1.00 0.00 H new ATOM 1376 N LYS A 86 12.839 5.076 8.771 1.00 0.00 N ATOM 1377 CA LYS A 86 14.287 5.220 9.080 1.00 0.00 C ATOM 1378 C LYS A 86 15.025 3.993 8.544 1.00 0.00 C ATOM 1379 O LYS A 86 16.144 4.083 8.077 1.00 0.00 O ATOM 1380 CB LYS A 86 14.483 5.320 10.594 1.00 0.00 C ATOM 1381 CG LYS A 86 13.825 6.601 11.110 1.00 0.00 C ATOM 1382 CD LYS A 86 14.122 6.764 12.602 1.00 0.00 C ATOM 1383 CE LYS A 86 13.371 7.982 13.143 1.00 0.00 C ATOM 1384 NZ LYS A 86 12.439 7.551 14.224 1.00 0.00 N ATOM 0 H LYS A 86 12.222 5.047 9.582 1.00 0.00 H new ATOM 0 HA LYS A 86 14.680 6.123 8.613 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.047 4.451 11.086 1.00 0.00 H new ATOM 0 HB3 LYS A 86 15.546 5.322 10.834 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.200 7.463 10.558 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.748 6.561 10.945 1.00 0.00 H new ATOM 0 HD2 LYS A 86 13.820 5.868 13.144 1.00 0.00 H new ATOM 0 HD3 LYS A 86 15.194 6.885 12.759 1.00 0.00 H new ATOM 0 HE2 LYS A 86 14.078 8.717 13.529 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.815 8.466 12.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 11.928 8.379 14.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 11.757 6.865 13.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.981 7.108 14.993 1.00 0.00 H new ATOM 1398 N LYS A 87 14.399 2.847 8.606 1.00 0.00 N ATOM 1399 CA LYS A 87 15.051 1.608 8.097 1.00 0.00 C ATOM 1400 C LYS A 87 14.340 1.152 6.821 1.00 0.00 C ATOM 1401 O LYS A 87 13.181 0.788 6.836 1.00 0.00 O ATOM 1402 CB LYS A 87 14.952 0.509 9.157 1.00 0.00 C ATOM 1403 CG LYS A 87 15.742 0.925 10.399 1.00 0.00 C ATOM 1404 CD LYS A 87 15.741 -0.220 11.414 1.00 0.00 C ATOM 1405 CE LYS A 87 16.428 0.237 12.702 1.00 0.00 C ATOM 1406 NZ LYS A 87 17.669 -0.560 12.913 1.00 0.00 N ATOM 0 H LYS A 87 13.462 2.717 8.988 1.00 0.00 H new ATOM 0 HA LYS A 87 16.100 1.808 7.879 1.00 0.00 H new ATOM 0 HB2 LYS A 87 13.908 0.334 9.419 1.00 0.00 H new ATOM 0 HB3 LYS A 87 15.343 -0.429 8.762 1.00 0.00 H new ATOM 0 HG2 LYS A 87 16.765 1.179 10.123 1.00 0.00 H new ATOM 0 HG3 LYS A 87 15.300 1.818 10.842 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.718 -0.531 11.626 1.00 0.00 H new ATOM 0 HD3 LYS A 87 16.258 -1.086 11.001 1.00 0.00 H new ATOM 0 HE2 LYS A 87 16.670 1.298 12.641 1.00 0.00 H new ATOM 0 HE3 LYS A 87 15.754 0.112 13.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 18.136 -0.249 13.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 17.425 -1.568 12.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 18.313 -0.419 12.108 1.00 0.00 H new ATOM 1420 N GLU A 88 15.031 1.170 5.716 1.00 0.00 N ATOM 1421 CA GLU A 88 14.408 0.740 4.431 1.00 0.00 C ATOM 1422 C GLU A 88 14.055 -0.747 4.496 1.00 0.00 C ATOM 1423 O GLU A 88 13.114 -1.197 3.875 1.00 0.00 O ATOM 1424 CB GLU A 88 15.392 0.980 3.285 1.00 0.00 C ATOM 1425 CG GLU A 88 15.652 2.480 3.139 1.00 0.00 C ATOM 1426 CD GLU A 88 16.583 2.725 1.950 1.00 0.00 C ATOM 1427 OE1 GLU A 88 17.104 1.757 1.422 1.00 0.00 O ATOM 1428 OE2 GLU A 88 16.761 3.877 1.590 1.00 0.00 O ATOM 0 H GLU A 88 16.005 1.465 5.646 1.00 0.00 H new ATOM 0 HA GLU A 88 13.499 1.317 4.261 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.328 0.456 3.479 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.989 0.578 2.356 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.711 3.010 2.992 1.00 0.00 H new ATOM 0 HG3 GLU A 88 16.100 2.872 4.052 1.00 0.00 H new ATOM 1435 N LYS A 89 14.807 -1.517 5.236 1.00 0.00 N ATOM 1436 CA LYS A 89 14.512 -2.975 5.325 1.00 0.00 C ATOM 1437 C LYS A 89 13.070 -3.178 5.787 1.00 0.00 C ATOM 1438 O LYS A 89 12.354 -4.015 5.270 1.00 0.00 O ATOM 1439 CB LYS A 89 15.465 -3.629 6.327 1.00 0.00 C ATOM 1440 CG LYS A 89 15.250 -5.144 6.322 1.00 0.00 C ATOM 1441 CD LYS A 89 16.155 -5.792 7.372 1.00 0.00 C ATOM 1442 CE LYS A 89 16.060 -7.315 7.259 1.00 0.00 C ATOM 1443 NZ LYS A 89 15.771 -7.895 8.602 1.00 0.00 N ATOM 0 H LYS A 89 15.609 -1.201 5.780 1.00 0.00 H new ATOM 0 HA LYS A 89 14.646 -3.432 4.344 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.498 -3.397 6.068 1.00 0.00 H new ATOM 0 HB3 LYS A 89 15.290 -3.229 7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.206 -5.374 6.534 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.472 -5.550 5.335 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.186 -5.470 7.227 1.00 0.00 H new ATOM 0 HD3 LYS A 89 15.858 -5.472 8.371 1.00 0.00 H new ATOM 0 HE2 LYS A 89 15.274 -7.590 6.555 1.00 0.00 H new ATOM 0 HE3 LYS A 89 16.994 -7.721 6.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 15.706 -8.930 8.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 16.535 -7.643 9.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 14.870 -7.517 8.957 1.00 0.00 H new ATOM 1457 N ASP A 90 12.631 -2.416 6.747 1.00 0.00 N ATOM 1458 CA ASP A 90 11.233 -2.563 7.230 1.00 0.00 C ATOM 1459 C ASP A 90 10.272 -2.269 6.077 1.00 0.00 C ATOM 1460 O ASP A 90 9.241 -2.895 5.937 1.00 0.00 O ATOM 1461 CB ASP A 90 10.986 -1.575 8.371 1.00 0.00 C ATOM 1462 CG ASP A 90 11.838 -1.966 9.580 1.00 0.00 C ATOM 1463 OD1 ASP A 90 12.369 -3.064 9.574 1.00 0.00 O ATOM 1464 OD2 ASP A 90 11.946 -1.161 10.489 1.00 0.00 O ATOM 0 H ASP A 90 13.181 -1.697 7.218 1.00 0.00 H new ATOM 0 HA ASP A 90 11.070 -3.579 7.591 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.234 -0.563 8.050 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.930 -1.573 8.642 1.00 0.00 H new ATOM 1469 N ARG A 91 10.607 -1.316 5.249 1.00 0.00 N ATOM 1470 CA ARG A 91 9.719 -0.974 4.102 1.00 0.00 C ATOM 1471 C ARG A 91 9.499 -2.213 3.234 1.00 0.00 C ATOM 1472 O ARG A 91 8.405 -2.472 2.771 1.00 0.00 O ATOM 1473 CB ARG A 91 10.382 0.121 3.263 1.00 0.00 C ATOM 1474 CG ARG A 91 9.424 0.577 2.162 1.00 0.00 C ATOM 1475 CD ARG A 91 10.083 1.690 1.345 1.00 0.00 C ATOM 1476 NE ARG A 91 11.211 1.123 0.553 1.00 0.00 N ATOM 1477 CZ ARG A 91 11.857 1.877 -0.295 1.00 0.00 C ATOM 1478 NH1 ARG A 91 11.516 3.127 -0.448 1.00 0.00 N ATOM 1479 NH2 ARG A 91 12.845 1.380 -0.988 1.00 0.00 N ATOM 0 H ARG A 91 11.459 -0.759 5.318 1.00 0.00 H new ATOM 0 HA ARG A 91 8.758 -0.622 4.478 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.651 0.966 3.897 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.306 -0.254 2.822 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.170 -0.263 1.515 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.492 0.935 2.600 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.352 2.149 0.680 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.448 2.475 2.007 1.00 0.00 H new ATOM 0 HE ARG A 91 11.478 0.146 0.673 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.745 3.515 0.095 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.021 3.716 -1.110 1.00 0.00 H new ATOM 0 HH21 ARG A 91 13.112 0.403 -0.867 1.00 0.00 H new ATOM 0 HH22 ARG A 91 13.350 1.969 -1.651 1.00 0.00 H new ATOM 1493 N ASN A 92 10.528 -2.980 3.009 1.00 0.00 N ATOM 1494 CA ASN A 92 10.379 -4.199 2.170 1.00 0.00 C ATOM 1495 C ASN A 92 9.361 -5.142 2.812 1.00 0.00 C ATOM 1496 O ASN A 92 8.557 -5.755 2.138 1.00 0.00 O ATOM 1497 CB ASN A 92 11.731 -4.902 2.062 1.00 0.00 C ATOM 1498 CG ASN A 92 12.739 -3.968 1.390 1.00 0.00 C ATOM 1499 OD1 ASN A 92 13.864 -3.848 1.834 1.00 0.00 O ATOM 1500 ND2 ASN A 92 12.382 -3.295 0.330 1.00 0.00 N ATOM 0 H ASN A 92 11.467 -2.814 3.371 1.00 0.00 H new ATOM 0 HA ASN A 92 10.031 -3.919 1.176 1.00 0.00 H new ATOM 0 HB2 ASN A 92 12.086 -5.185 3.053 1.00 0.00 H new ATOM 0 HB3 ASN A 92 11.630 -5.821 1.485 1.00 0.00 H new ATOM 0 HD21 ASN A 92 13.047 -2.669 -0.125 1.00 0.00 H new ATOM 0 HD22 ASN A 92 11.438 -3.395 -0.044 1.00 0.00 H new ATOM 1507 N ASP A 93 9.389 -5.264 4.109 1.00 0.00 N ATOM 1508 CA ASP A 93 8.425 -6.166 4.794 1.00 0.00 C ATOM 1509 C ASP A 93 6.998 -5.673 4.548 1.00 0.00 C ATOM 1510 O ASP A 93 6.086 -6.451 4.353 1.00 0.00 O ATOM 1511 CB ASP A 93 8.718 -6.169 6.294 1.00 0.00 C ATOM 1512 CG ASP A 93 10.076 -6.825 6.548 1.00 0.00 C ATOM 1513 OD1 ASP A 93 10.597 -7.438 5.631 1.00 0.00 O ATOM 1514 OD2 ASP A 93 10.572 -6.702 7.655 1.00 0.00 O ATOM 0 H ASP A 93 10.040 -4.777 4.725 1.00 0.00 H new ATOM 0 HA ASP A 93 8.527 -7.178 4.401 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.718 -5.149 6.677 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.936 -6.710 6.827 1.00 0.00 H new ATOM 1519 N LEU A 94 6.799 -4.384 4.561 1.00 0.00 N ATOM 1520 CA LEU A 94 5.434 -3.837 4.333 1.00 0.00 C ATOM 1521 C LEU A 94 4.929 -4.263 2.955 1.00 0.00 C ATOM 1522 O LEU A 94 3.794 -4.668 2.796 1.00 0.00 O ATOM 1523 CB LEU A 94 5.494 -2.313 4.395 1.00 0.00 C ATOM 1524 CG LEU A 94 5.983 -1.871 5.774 1.00 0.00 C ATOM 1525 CD1 LEU A 94 6.029 -0.344 5.830 1.00 0.00 C ATOM 1526 CD2 LEU A 94 5.024 -2.389 6.848 1.00 0.00 C ATOM 0 H LEU A 94 7.525 -3.685 4.720 1.00 0.00 H new ATOM 0 HA LEU A 94 4.757 -4.218 5.098 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.164 -1.934 3.623 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.508 -1.892 4.196 1.00 0.00 H new ATOM 0 HG LEU A 94 6.980 -2.275 5.952 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.377 -0.026 6.813 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.711 0.028 5.065 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.031 0.057 5.652 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.374 -2.073 7.831 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.027 -1.986 6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.987 -3.478 6.808 1.00 0.00 H new ATOM 1538 N ILE A 95 5.761 -4.174 1.957 1.00 0.00 N ATOM 1539 CA ILE A 95 5.333 -4.571 0.595 1.00 0.00 C ATOM 1540 C ILE A 95 4.920 -6.043 0.602 1.00 0.00 C ATOM 1541 O ILE A 95 3.876 -6.409 0.101 1.00 0.00 O ATOM 1542 CB ILE A 95 6.497 -4.361 -0.368 1.00 0.00 C ATOM 1543 CG1 ILE A 95 6.881 -2.879 -0.387 1.00 0.00 C ATOM 1544 CG2 ILE A 95 6.081 -4.796 -1.766 1.00 0.00 C ATOM 1545 CD1 ILE A 95 8.132 -2.686 -1.246 1.00 0.00 C ATOM 0 H ILE A 95 6.723 -3.842 2.030 1.00 0.00 H new ATOM 0 HA ILE A 95 4.484 -3.966 0.278 1.00 0.00 H new ATOM 0 HB ILE A 95 7.352 -4.953 -0.042 1.00 0.00 H new ATOM 0 HG12 ILE A 95 6.059 -2.285 -0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.066 -2.528 0.628 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.912 -4.647 -2.456 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.806 -5.851 -1.752 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.227 -4.203 -2.093 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.405 -1.631 -1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 95 8.953 -3.268 -0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.930 -3.021 -2.263 1.00 0.00 H new ATOM 1557 N THR A 96 5.730 -6.889 1.176 1.00 0.00 N ATOM 1558 CA THR A 96 5.380 -8.337 1.224 1.00 0.00 C ATOM 1559 C THR A 96 4.064 -8.509 1.988 1.00 0.00 C ATOM 1560 O THR A 96 3.200 -9.270 1.599 1.00 0.00 O ATOM 1561 CB THR A 96 6.488 -9.107 1.947 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.744 -8.787 1.365 1.00 0.00 O ATOM 1563 CG2 THR A 96 6.235 -10.609 1.821 1.00 0.00 C ATOM 0 H THR A 96 6.618 -6.641 1.613 1.00 0.00 H new ATOM 0 HA THR A 96 5.273 -8.722 0.210 1.00 0.00 H new ATOM 0 HB THR A 96 6.494 -8.829 3.001 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.328 -8.389 2.044 1.00 0.00 H new ATOM 0 HG21 THR A 96 7.025 -11.156 2.336 1.00 0.00 H new ATOM 0 HG22 THR A 96 5.272 -10.855 2.269 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.227 -10.890 0.768 1.00 0.00 H new ATOM 1571 N TYR A 97 3.908 -7.801 3.074 1.00 0.00 N ATOM 1572 CA TYR A 97 2.654 -7.916 3.868 1.00 0.00 C ATOM 1573 C TYR A 97 1.459 -7.495 3.010 1.00 0.00 C ATOM 1574 O TYR A 97 0.402 -8.091 3.068 1.00 0.00 O ATOM 1575 CB TYR A 97 2.744 -7.014 5.102 1.00 0.00 C ATOM 1576 CG TYR A 97 1.495 -7.172 5.934 1.00 0.00 C ATOM 1577 CD1 TYR A 97 1.419 -8.183 6.899 1.00 0.00 C ATOM 1578 CD2 TYR A 97 0.412 -6.306 5.741 1.00 0.00 C ATOM 1579 CE1 TYR A 97 0.260 -8.329 7.671 1.00 0.00 C ATOM 1580 CE2 TYR A 97 -0.747 -6.451 6.513 1.00 0.00 C ATOM 1581 CZ TYR A 97 -0.823 -7.463 7.478 1.00 0.00 C ATOM 1582 OH TYR A 97 -1.965 -7.606 8.238 1.00 0.00 O ATOM 0 H TYR A 97 4.597 -7.147 3.445 1.00 0.00 H new ATOM 0 HA TYR A 97 2.522 -8.951 4.185 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.622 -7.275 5.693 1.00 0.00 H new ATOM 0 HB3 TYR A 97 2.862 -5.974 4.797 1.00 0.00 H new ATOM 0 HD1 TYR A 97 2.255 -8.851 7.048 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.471 -5.526 4.996 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.201 -9.109 8.415 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -1.582 -5.783 6.364 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.619 -6.924 7.978 1.00 0.00 H new ATOM 1592 N LEU A 98 1.613 -6.471 2.213 1.00 0.00 N ATOM 1593 CA LEU A 98 0.479 -6.020 1.360 1.00 0.00 C ATOM 1594 C LEU A 98 -0.002 -7.185 0.495 1.00 0.00 C ATOM 1595 O LEU A 98 -1.188 -7.379 0.301 1.00 0.00 O ATOM 1596 CB LEU A 98 0.935 -4.870 0.461 1.00 0.00 C ATOM 1597 CG LEU A 98 0.127 -3.617 0.800 1.00 0.00 C ATOM 1598 CD1 LEU A 98 0.428 -3.188 2.236 1.00 0.00 C ATOM 1599 CD2 LEU A 98 0.507 -2.486 -0.159 1.00 0.00 C ATOM 0 H LEU A 98 2.472 -5.930 2.117 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.337 -5.677 1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 98 1.999 -4.681 0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.796 -5.135 -0.587 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.936 -3.835 0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.148 -2.295 2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.156 -3.991 2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.492 -2.972 2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -0.070 -1.594 0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.571 -2.268 -0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.291 -2.790 -1.183 1.00 0.00 H new ATOM 1611 N LYS A 99 0.903 -7.970 -0.015 1.00 0.00 N ATOM 1612 CA LYS A 99 0.483 -9.125 -0.852 1.00 0.00 C ATOM 1613 C LYS A 99 -0.446 -10.006 -0.021 1.00 0.00 C ATOM 1614 O LYS A 99 -1.454 -10.491 -0.494 1.00 0.00 O ATOM 1615 CB LYS A 99 1.714 -9.935 -1.268 1.00 0.00 C ATOM 1616 CG LYS A 99 1.309 -10.981 -2.309 1.00 0.00 C ATOM 1617 CD LYS A 99 2.445 -11.990 -2.486 1.00 0.00 C ATOM 1618 CE LYS A 99 3.652 -11.293 -3.116 1.00 0.00 C ATOM 1619 NZ LYS A 99 4.616 -12.318 -3.607 1.00 0.00 N ATOM 0 H LYS A 99 1.910 -7.863 0.110 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.029 -8.772 -1.747 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.476 -9.273 -1.679 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.152 -10.423 -0.398 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.400 -11.492 -1.992 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.087 -10.497 -3.260 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.720 -12.417 -1.522 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.117 -12.816 -3.118 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.329 -10.657 -3.940 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.135 -10.645 -2.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.437 -11.845 -4.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.932 -12.907 -2.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.152 -12.918 -4.318 1.00 0.00 H new ATOM 1633 N LYS A 100 -0.112 -10.205 1.223 1.00 0.00 N ATOM 1634 CA LYS A 100 -0.970 -11.043 2.104 1.00 0.00 C ATOM 1635 C LYS A 100 -2.352 -10.400 2.238 1.00 0.00 C ATOM 1636 O LYS A 100 -3.348 -11.079 2.392 1.00 0.00 O ATOM 1637 CB LYS A 100 -0.323 -11.161 3.486 1.00 0.00 C ATOM 1638 CG LYS A 100 -1.130 -12.136 4.344 1.00 0.00 C ATOM 1639 CD LYS A 100 -0.426 -12.343 5.686 1.00 0.00 C ATOM 1640 CE LYS A 100 -0.475 -11.047 6.498 1.00 0.00 C ATOM 1641 NZ LYS A 100 -0.283 -11.359 7.942 1.00 0.00 N ATOM 0 H LYS A 100 0.722 -9.822 1.669 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.075 -12.036 1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.705 -11.510 3.390 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.284 -10.183 3.966 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.136 -11.748 4.506 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.236 -13.090 3.827 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.907 -13.149 6.240 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.609 -12.642 5.522 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.301 -10.362 6.157 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.431 -10.546 6.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.921 -10.768 8.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -0.496 -12.363 8.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.703 -11.164 8.211 1.00 0.00 H new ATOM 1655 N ALA A 101 -2.424 -9.096 2.198 1.00 0.00 N ATOM 1656 CA ALA A 101 -3.742 -8.421 2.341 1.00 0.00 C ATOM 1657 C ALA A 101 -4.686 -8.878 1.226 1.00 0.00 C ATOM 1658 O ALA A 101 -5.863 -9.084 1.446 1.00 0.00 O ATOM 1659 CB ALA A 101 -3.553 -6.905 2.259 1.00 0.00 C ATOM 0 H ALA A 101 -1.627 -8.472 2.073 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.174 -8.683 3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.519 -6.412 2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.889 -6.577 3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.115 -6.644 1.295 1.00 0.00 H new ATOM 1665 N THR A 102 -4.186 -9.040 0.032 1.00 0.00 N ATOM 1666 CA THR A 102 -5.072 -9.487 -1.082 1.00 0.00 C ATOM 1667 C THR A 102 -5.470 -10.949 -0.863 1.00 0.00 C ATOM 1668 O THR A 102 -6.534 -11.377 -1.263 1.00 0.00 O ATOM 1669 CB THR A 102 -4.343 -9.341 -2.420 1.00 0.00 C ATOM 1670 OG1 THR A 102 -5.283 -9.000 -3.429 1.00 0.00 O ATOM 1671 CG2 THR A 102 -3.657 -10.659 -2.789 1.00 0.00 C ATOM 0 H THR A 102 -3.210 -8.884 -0.220 1.00 0.00 H new ATOM 0 HA THR A 102 -5.969 -8.867 -1.099 1.00 0.00 H new ATOM 0 HB THR A 102 -3.589 -8.558 -2.336 1.00 0.00 H new ATOM 0 HG1 THR A 102 -4.957 -9.313 -4.299 1.00 0.00 H new ATOM 0 HG21 THR A 102 -3.141 -10.546 -3.742 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.936 -10.923 -2.015 1.00 0.00 H new ATOM 0 HG23 THR A 102 -4.405 -11.448 -2.873 1.00 0.00 H new ATOM 1679 N GLU A 103 -4.624 -11.716 -0.233 1.00 0.00 N ATOM 1680 CA GLU A 103 -4.957 -13.148 0.010 1.00 0.00 C ATOM 1681 C GLU A 103 -5.395 -13.800 -1.304 1.00 0.00 C ATOM 1682 O GLU A 103 -6.529 -13.672 -1.723 1.00 0.00 O ATOM 1683 CB GLU A 103 -6.093 -13.244 1.030 1.00 0.00 C ATOM 1684 CG GLU A 103 -6.338 -14.711 1.387 1.00 0.00 C ATOM 1685 CD GLU A 103 -7.538 -14.815 2.329 1.00 0.00 C ATOM 1686 OE1 GLU A 103 -8.121 -13.785 2.629 1.00 0.00 O ATOM 1687 OE2 GLU A 103 -7.855 -15.921 2.734 1.00 0.00 O ATOM 0 H GLU A 103 -3.717 -11.414 0.124 1.00 0.00 H new ATOM 0 HA GLU A 103 -4.078 -13.664 0.397 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -5.839 -12.678 1.927 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.001 -12.802 0.621 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.522 -15.290 0.482 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -5.452 -15.133 1.862 1.00 0.00 H new