USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 672 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 65 LYS NZ :NH3+ -171:sc= 0.0691 (180deg=-0.124) USER MOD Set 1.2: A 71 MET CE :methyl -102:sc= -5.06! (180deg=-13.7!) USER MOD Set 2.1: A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 19:sc= 0.343 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.98 USER MOD Single : A 28 LYS NZ :NH3+ -171:sc= 2.09 (180deg=1.93) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -1.21 X(o=-1.2,f=-1.4) USER MOD Single : A 39 SER OG : rot 70:sc= 1.26 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0943) USER MOD Single : A 49 ASN : amide:sc= -6.65 K(o=-6.7,f=-15!) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -2.26 F(o=-3.6,f=-2.3) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 150:sc= -5.71! (180deg=-7.98!) USER MOD Single : A 67 LYS NZ :NH3+ -160:sc= -0.0249 (180deg=-0.196) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 90:sc= -1.97 USER MOD Single : A 70 MET CE :methyl 159:sc= -0.203 (180deg=-0.894) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.043 X(o=-0.043,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 156:sc= -0.0221 (180deg=-0.236) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 82:sc= 1.22 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.105 X(o=-0.1,f=-0.039) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -100:sc= -2.13 (180deg=-3.49!) USER MOD ----------------------------------------------------------------- ATOM 46 N SER A 20 -3.649 -17.671 4.527 1.00 0.00 N ATOM 47 CA SER A 20 -2.703 -16.827 3.798 1.00 0.00 C ATOM 48 C SER A 20 -3.424 -15.687 3.083 1.00 0.00 C ATOM 49 O SER A 20 -3.131 -14.513 3.317 1.00 0.00 O ATOM 50 CB SER A 20 -1.905 -17.655 2.787 1.00 0.00 C ATOM 51 OG SER A 20 -1.526 -18.906 3.336 1.00 0.00 O ATOM 0 HA SER A 20 -2.013 -16.399 4.525 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.504 -17.815 1.890 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.015 -17.104 2.483 1.00 0.00 H new ATOM 0 HG SER A 20 -2.096 -19.111 4.106 1.00 0.00 H new ATOM 57 N LEU A 21 -4.365 -16.036 2.211 1.00 0.00 N ATOM 58 CA LEU A 21 -5.125 -15.040 1.463 1.00 0.00 C ATOM 59 C LEU A 21 -5.766 -14.020 2.401 1.00 0.00 C ATOM 60 O LEU A 21 -5.918 -12.851 2.051 1.00 0.00 O ATOM 61 CB LEU A 21 -6.206 -15.721 0.618 1.00 0.00 C ATOM 62 CG LEU A 21 -5.737 -16.949 -0.169 1.00 0.00 C ATOM 63 CD1 LEU A 21 -6.582 -18.166 0.179 1.00 0.00 C ATOM 64 CD2 LEU A 21 -5.786 -16.677 -1.666 1.00 0.00 C ATOM 0 H LEU A 21 -4.620 -17.002 2.005 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.433 -14.515 0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.024 -16.019 1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.610 -14.991 -0.084 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.704 -17.158 0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.232 -19.027 -0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.495 -18.377 1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.625 -17.967 -0.067 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.449 -17.561 -2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.809 -16.439 -1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.135 -15.836 -1.904 1.00 0.00 H new ATOM 76 N VAL A 22 -6.142 -14.473 3.593 1.00 0.00 N ATOM 77 CA VAL A 22 -6.767 -13.601 4.579 1.00 0.00 C ATOM 78 C VAL A 22 -5.869 -12.412 4.917 1.00 0.00 C ATOM 79 O VAL A 22 -6.316 -11.266 4.918 1.00 0.00 O ATOM 80 CB VAL A 22 -7.109 -14.368 5.874 1.00 0.00 C ATOM 81 CG1 VAL A 22 -5.850 -14.936 6.512 1.00 0.00 C ATOM 82 CG2 VAL A 22 -7.853 -13.468 6.850 1.00 0.00 C ATOM 0 H VAL A 22 -6.024 -15.439 3.899 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.691 -13.232 4.133 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.762 -15.202 5.616 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.114 -15.473 7.423 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.366 -15.620 5.815 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.167 -14.122 6.755 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.085 -14.027 7.756 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.229 -12.611 7.102 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.779 -13.120 6.391 1.00 0.00 H new ATOM 92 N LYS A 23 -4.599 -12.691 5.196 1.00 0.00 N ATOM 93 CA LYS A 23 -3.641 -11.641 5.529 1.00 0.00 C ATOM 94 C LYS A 23 -3.433 -10.714 4.338 1.00 0.00 C ATOM 95 O LYS A 23 -3.372 -9.493 4.490 1.00 0.00 O ATOM 96 CB LYS A 23 -2.306 -12.254 5.954 1.00 0.00 C ATOM 97 CG LYS A 23 -2.382 -13.032 7.258 1.00 0.00 C ATOM 98 CD LYS A 23 -1.105 -13.817 7.513 1.00 0.00 C ATOM 99 CE LYS A 23 -1.385 -15.111 8.259 1.00 0.00 C ATOM 100 NZ LYS A 23 -0.345 -15.395 9.286 1.00 0.00 N ATOM 0 H LYS A 23 -4.210 -13.634 5.198 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.042 -11.060 6.360 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.953 -12.917 5.165 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.567 -11.459 6.057 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.558 -12.343 8.084 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.230 -13.716 7.226 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.619 -14.041 6.563 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.411 -13.206 8.090 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.362 -15.050 8.739 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.430 -15.937 7.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.572 -16.286 9.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.584 -15.479 8.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.320 -14.619 9.978 1.00 0.00 H new ATOM 114 N VAL A 24 -3.334 -11.304 3.153 1.00 0.00 N ATOM 115 CA VAL A 24 -3.141 -10.537 1.929 1.00 0.00 C ATOM 116 C VAL A 24 -4.267 -9.524 1.744 1.00 0.00 C ATOM 117 O VAL A 24 -4.021 -8.344 1.484 1.00 0.00 O ATOM 118 CB VAL A 24 -3.076 -11.457 0.696 1.00 0.00 C ATOM 119 CG1 VAL A 24 -2.711 -10.662 -0.547 1.00 0.00 C ATOM 120 CG2 VAL A 24 -2.085 -12.586 0.928 1.00 0.00 C ATOM 0 H VAL A 24 -3.384 -12.313 3.014 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.192 -10.010 2.023 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.062 -11.895 0.539 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.670 -11.330 -1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.463 -9.892 -0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.737 -10.193 -0.406 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.051 -13.227 0.047 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -1.095 -12.169 1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -2.398 -13.173 1.792 1.00 0.00 H new ATOM 130 N GLY A 25 -5.504 -9.990 1.892 1.00 0.00 N ATOM 131 CA GLY A 25 -6.647 -9.109 1.751 1.00 0.00 C ATOM 132 C GLY A 25 -6.603 -7.967 2.745 1.00 0.00 C ATOM 133 O GLY A 25 -6.905 -6.823 2.405 1.00 0.00 O ATOM 0 H GLY A 25 -5.734 -10.960 2.107 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.674 -8.708 0.738 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.565 -9.679 1.893 1.00 0.00 H new ATOM 137 N THR A 26 -6.213 -8.280 3.977 1.00 0.00 N ATOM 138 CA THR A 26 -6.115 -7.273 5.027 1.00 0.00 C ATOM 139 C THR A 26 -5.144 -6.174 4.615 1.00 0.00 C ATOM 140 O THR A 26 -5.357 -4.999 4.911 1.00 0.00 O ATOM 141 CB THR A 26 -5.658 -7.909 6.340 1.00 0.00 C ATOM 142 OG1 THR A 26 -5.954 -9.293 6.356 1.00 0.00 O ATOM 143 CG2 THR A 26 -6.299 -7.292 7.562 1.00 0.00 C ATOM 0 H THR A 26 -5.960 -9.223 4.272 1.00 0.00 H new ATOM 0 HA THR A 26 -7.102 -6.836 5.177 1.00 0.00 H new ATOM 0 HB THR A 26 -4.583 -7.732 6.385 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.653 -9.682 7.203 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.930 -7.791 8.458 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.049 -6.232 7.608 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.381 -7.407 7.503 1.00 0.00 H new ATOM 151 N LEU A 27 -4.081 -6.563 3.917 1.00 0.00 N ATOM 152 CA LEU A 27 -3.089 -5.602 3.454 1.00 0.00 C ATOM 153 C LEU A 27 -3.723 -4.652 2.452 1.00 0.00 C ATOM 154 O LEU A 27 -3.571 -3.434 2.557 1.00 0.00 O ATOM 155 CB LEU A 27 -1.892 -6.318 2.826 1.00 0.00 C ATOM 156 CG LEU A 27 -0.532 -5.680 3.122 1.00 0.00 C ATOM 157 CD1 LEU A 27 0.541 -6.747 3.262 1.00 0.00 C ATOM 158 CD2 LEU A 27 -0.161 -4.687 2.031 1.00 0.00 C ATOM 0 H LEU A 27 -3.886 -7.531 3.662 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.730 -5.030 4.310 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.878 -7.349 3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.034 -6.353 1.746 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.603 -5.142 4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.500 -6.273 3.472 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.281 -7.419 4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.612 -7.315 2.334 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.808 -4.243 2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.109 -5.203 1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.916 -3.903 1.981 1.00 0.00 H new ATOM 170 N LYS A 28 -4.461 -5.208 1.494 1.00 0.00 N ATOM 171 CA LYS A 28 -5.144 -4.392 0.498 1.00 0.00 C ATOM 172 C LYS A 28 -5.990 -3.344 1.208 1.00 0.00 C ATOM 173 O LYS A 28 -6.098 -2.199 0.764 1.00 0.00 O ATOM 174 CB LYS A 28 -6.021 -5.264 -0.402 1.00 0.00 C ATOM 175 CG LYS A 28 -6.052 -4.805 -1.850 1.00 0.00 C ATOM 176 CD LYS A 28 -6.726 -5.832 -2.746 1.00 0.00 C ATOM 177 CE LYS A 28 -6.004 -5.970 -4.076 1.00 0.00 C ATOM 178 NZ LYS A 28 -6.485 -4.979 -5.077 1.00 0.00 N ATOM 0 H LYS A 28 -4.600 -6.213 1.388 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.404 -3.897 -0.131 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.659 -6.291 -0.363 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.038 -5.269 -0.009 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.582 -3.855 -1.920 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.034 -4.628 -2.199 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.749 -6.798 -2.241 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.761 -5.540 -2.921 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.933 -5.839 -3.922 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.150 -6.978 -4.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.081 -5.203 -6.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.523 -5.016 -5.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.187 -4.024 -4.791 1.00 0.00 H new ATOM 192 N LYS A 29 -6.563 -3.749 2.338 1.00 0.00 N ATOM 193 CA LYS A 29 -7.377 -2.859 3.148 1.00 0.00 C ATOM 194 C LYS A 29 -6.489 -1.789 3.776 1.00 0.00 C ATOM 195 O LYS A 29 -6.897 -0.635 3.921 1.00 0.00 O ATOM 196 CB LYS A 29 -8.121 -3.661 4.224 1.00 0.00 C ATOM 197 CG LYS A 29 -8.754 -2.805 5.306 1.00 0.00 C ATOM 198 CD LYS A 29 -7.729 -2.407 6.350 1.00 0.00 C ATOM 199 CE LYS A 29 -8.346 -2.314 7.735 1.00 0.00 C ATOM 200 NZ LYS A 29 -7.365 -1.848 8.754 1.00 0.00 N ATOM 0 H LYS A 29 -6.475 -4.694 2.712 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.121 -2.368 2.520 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.898 -4.257 3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.425 -4.359 4.689 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.190 -1.911 4.860 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.568 -3.354 5.780 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.918 -3.136 6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.290 -1.446 6.082 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.194 -1.629 7.709 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.734 -3.291 8.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.828 -1.799 9.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -6.568 -2.514 8.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.014 -0.905 8.492 1.00 0.00 H new ATOM 214 N ARG A 30 -5.264 -2.175 4.128 1.00 0.00 N ATOM 215 CA ARG A 30 -4.315 -1.240 4.714 1.00 0.00 C ATOM 216 C ARG A 30 -3.916 -0.192 3.683 1.00 0.00 C ATOM 217 O ARG A 30 -3.693 0.973 4.015 1.00 0.00 O ATOM 218 CB ARG A 30 -3.075 -1.983 5.218 1.00 0.00 C ATOM 219 CG ARG A 30 -2.330 -1.244 6.319 1.00 0.00 C ATOM 220 CD ARG A 30 -2.343 -2.020 7.628 1.00 0.00 C ATOM 221 NE ARG A 30 -1.035 -2.594 7.937 1.00 0.00 N ATOM 222 CZ ARG A 30 0.026 -1.873 8.290 1.00 0.00 C ATOM 223 NH1 ARG A 30 -0.061 -0.551 8.382 1.00 0.00 N ATOM 224 NH2 ARG A 30 1.178 -2.473 8.554 1.00 0.00 N ATOM 0 H ARG A 30 -4.910 -3.125 4.017 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.789 -0.744 5.561 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -3.374 -2.964 5.588 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.397 -2.151 4.381 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.299 -1.072 6.009 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.785 -0.265 6.472 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.649 -1.359 8.438 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.084 -2.817 7.570 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.929 -3.607 7.879 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -0.945 -0.083 8.182 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.756 -0.004 8.653 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.252 -3.488 8.487 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.991 -1.920 8.825 1.00 0.00 H new ATOM 238 N LEU A 31 -3.842 -0.616 2.425 1.00 0.00 N ATOM 239 CA LEU A 31 -3.488 0.281 1.334 1.00 0.00 C ATOM 240 C LEU A 31 -4.545 1.366 1.184 1.00 0.00 C ATOM 241 O LEU A 31 -4.230 2.556 1.142 1.00 0.00 O ATOM 242 CB LEU A 31 -3.345 -0.501 0.025 1.00 0.00 C ATOM 243 CG LEU A 31 -1.910 -0.861 -0.362 1.00 0.00 C ATOM 244 CD1 LEU A 31 -1.305 -1.812 0.659 1.00 0.00 C ATOM 245 CD2 LEU A 31 -1.871 -1.472 -1.754 1.00 0.00 C ATOM 0 H LEU A 31 -4.023 -1.578 2.137 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.532 0.750 1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.925 -1.420 0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.786 0.086 -0.781 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.316 0.053 -0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.284 -2.057 0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.298 -1.336 1.640 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.899 -2.725 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.842 -1.722 -2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.480 -2.376 -1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.263 -0.756 -2.477 1.00 0.00 H new ATOM 257 N ASP A 32 -5.807 0.948 1.118 1.00 0.00 N ATOM 258 CA ASP A 32 -6.916 1.884 0.989 1.00 0.00 C ATOM 259 C ASP A 32 -6.913 2.867 2.154 1.00 0.00 C ATOM 260 O ASP A 32 -7.237 4.044 1.991 1.00 0.00 O ATOM 261 CB ASP A 32 -8.247 1.134 0.940 1.00 0.00 C ATOM 262 CG ASP A 32 -9.362 1.971 0.344 1.00 0.00 C ATOM 263 OD1 ASP A 32 -9.459 3.166 0.694 1.00 0.00 O ATOM 264 OD2 ASP A 32 -10.138 1.431 -0.472 1.00 0.00 O ATOM 0 H ASP A 32 -6.085 -0.033 1.152 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.794 2.438 0.058 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.126 0.224 0.353 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.526 0.828 1.948 1.00 0.00 H new ATOM 269 N LYS A 33 -6.532 2.373 3.328 1.00 0.00 N ATOM 270 CA LYS A 33 -6.470 3.203 4.525 1.00 0.00 C ATOM 271 C LYS A 33 -5.486 4.351 4.324 1.00 0.00 C ATOM 272 O LYS A 33 -5.783 5.503 4.640 1.00 0.00 O ATOM 273 CB LYS A 33 -6.060 2.354 5.733 1.00 0.00 C ATOM 274 CG LYS A 33 -5.797 3.162 6.994 1.00 0.00 C ATOM 275 CD LYS A 33 -7.033 3.924 7.439 1.00 0.00 C ATOM 276 CE LYS A 33 -6.668 5.141 8.273 1.00 0.00 C ATOM 277 NZ LYS A 33 -7.874 5.884 8.730 1.00 0.00 N ATOM 0 H LYS A 33 -6.261 1.401 3.475 1.00 0.00 H new ATOM 0 HA LYS A 33 -7.458 3.624 4.712 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.846 1.627 5.937 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.162 1.791 5.480 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.473 2.495 7.793 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.982 3.863 6.814 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.602 4.239 6.564 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.679 3.265 8.019 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.086 4.826 9.139 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.033 5.805 7.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.582 6.706 9.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.417 6.207 7.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.468 5.258 9.311 1.00 0.00 H new ATOM 291 N PHE A 34 -4.311 4.027 3.789 1.00 0.00 N ATOM 292 CA PHE A 34 -3.284 5.031 3.539 1.00 0.00 C ATOM 293 C PHE A 34 -3.805 6.102 2.585 1.00 0.00 C ATOM 294 O PHE A 34 -3.579 7.294 2.791 1.00 0.00 O ATOM 295 CB PHE A 34 -2.029 4.376 2.957 1.00 0.00 C ATOM 296 CG PHE A 34 -1.467 3.283 3.820 1.00 0.00 C ATOM 297 CD1 PHE A 34 -1.374 3.445 5.194 1.00 0.00 C ATOM 298 CD2 PHE A 34 -1.032 2.093 3.259 1.00 0.00 C ATOM 299 CE1 PHE A 34 -0.858 2.441 5.990 1.00 0.00 C ATOM 300 CE2 PHE A 34 -0.513 1.087 4.051 1.00 0.00 C ATOM 301 CZ PHE A 34 -0.427 1.260 5.418 1.00 0.00 C ATOM 0 H PHE A 34 -4.048 3.078 3.521 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.027 5.503 4.487 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.265 3.967 1.975 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.266 5.140 2.809 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.709 4.367 5.647 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.099 1.950 2.191 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.792 2.579 7.059 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.175 0.165 3.601 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.024 0.474 6.039 1.00 0.00 H new ATOM 311 N ASN A 35 -4.508 5.667 1.545 1.00 0.00 N ATOM 312 CA ASN A 35 -5.069 6.587 0.563 1.00 0.00 C ATOM 313 C ASN A 35 -6.005 7.583 1.239 1.00 0.00 C ATOM 314 O ASN A 35 -6.001 8.771 0.918 1.00 0.00 O ATOM 315 CB ASN A 35 -5.821 5.814 -0.522 1.00 0.00 C ATOM 316 CG ASN A 35 -5.009 5.668 -1.795 1.00 0.00 C ATOM 317 OD1 ASN A 35 -4.348 6.609 -2.234 1.00 0.00 O ATOM 318 ND2 ASN A 35 -5.057 4.483 -2.395 1.00 0.00 N ATOM 0 H ASN A 35 -4.703 4.683 1.360 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.250 7.136 0.099 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.082 4.825 -0.145 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.756 6.326 -0.747 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.532 4.325 -3.255 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.619 3.731 -1.995 1.00 0.00 H new ATOM 325 N GLU A 36 -6.799 7.091 2.185 1.00 0.00 N ATOM 326 CA GLU A 36 -7.733 7.938 2.915 1.00 0.00 C ATOM 327 C GLU A 36 -6.989 9.048 3.643 1.00 0.00 C ATOM 328 O GLU A 36 -7.338 10.224 3.536 1.00 0.00 O ATOM 329 CB GLU A 36 -8.539 7.106 3.914 1.00 0.00 C ATOM 330 CG GLU A 36 -9.399 6.035 3.261 1.00 0.00 C ATOM 331 CD GLU A 36 -10.668 6.600 2.651 1.00 0.00 C ATOM 332 OE1 GLU A 36 -10.660 7.783 2.255 1.00 0.00 O ATOM 333 OE2 GLU A 36 -11.669 5.857 2.571 1.00 0.00 O ATOM 0 H GLU A 36 -6.813 6.110 2.463 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.419 8.388 2.198 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.853 6.631 4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.179 7.770 4.494 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.820 5.532 2.486 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -9.661 5.281 4.004 1.00 0.00 H new ATOM 340 N VAL A 37 -5.951 8.663 4.377 1.00 0.00 N ATOM 341 CA VAL A 37 -5.143 9.622 5.119 1.00 0.00 C ATOM 342 C VAL A 37 -4.453 10.590 4.165 1.00 0.00 C ATOM 343 O VAL A 37 -4.326 11.779 4.453 1.00 0.00 O ATOM 344 CB VAL A 37 -4.078 8.915 5.981 1.00 0.00 C ATOM 345 CG1 VAL A 37 -3.321 9.924 6.830 1.00 0.00 C ATOM 346 CG2 VAL A 37 -4.721 7.847 6.854 1.00 0.00 C ATOM 0 H VAL A 37 -5.650 7.693 4.474 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.816 10.172 5.777 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.364 8.428 5.317 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.574 9.406 7.431 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.827 10.647 6.181 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.019 10.443 7.487 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.954 7.359 7.455 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.458 8.309 7.511 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.212 7.107 6.222 1.00 0.00 H new ATOM 356 N VAL A 38 -4.011 10.070 3.024 1.00 0.00 N ATOM 357 CA VAL A 38 -3.339 10.883 2.020 1.00 0.00 C ATOM 358 C VAL A 38 -4.312 11.872 1.384 1.00 0.00 C ATOM 359 O VAL A 38 -3.955 13.016 1.102 1.00 0.00 O ATOM 360 CB VAL A 38 -2.712 10.006 0.917 1.00 0.00 C ATOM 361 CG1 VAL A 38 -1.973 10.863 -0.102 1.00 0.00 C ATOM 362 CG2 VAL A 38 -1.780 8.968 1.525 1.00 0.00 C ATOM 0 H VAL A 38 -4.107 9.086 2.773 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.545 11.432 2.527 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.516 9.483 0.399 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.539 10.222 -0.870 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.670 11.562 -0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.179 11.419 0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.347 8.359 0.732 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.983 9.471 2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.342 8.330 2.207 1.00 0.00 H new ATOM 372 N SER A 39 -5.542 11.422 1.166 1.00 0.00 N ATOM 373 CA SER A 39 -6.568 12.268 0.567 1.00 0.00 C ATOM 374 C SER A 39 -6.954 13.401 1.513 1.00 0.00 C ATOM 375 O SER A 39 -7.325 14.491 1.075 1.00 0.00 O ATOM 376 CB SER A 39 -7.804 11.437 0.218 1.00 0.00 C ATOM 377 OG SER A 39 -7.480 10.393 -0.682 1.00 0.00 O ATOM 0 H SER A 39 -5.853 10.478 1.394 1.00 0.00 H new ATOM 0 HA SER A 39 -6.161 12.701 -0.347 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.232 11.017 1.128 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.565 12.080 -0.225 1.00 0.00 H new ATOM 0 HG SER A 39 -6.932 9.723 -0.222 1.00 0.00 H new ATOM 383 N ALA A 40 -6.862 13.136 2.811 1.00 0.00 N ATOM 384 CA ALA A 40 -7.200 14.131 3.821 1.00 0.00 C ATOM 385 C ALA A 40 -6.206 15.289 3.812 1.00 0.00 C ATOM 386 O ALA A 40 -6.554 16.420 4.148 1.00 0.00 O ATOM 387 CB ALA A 40 -7.250 13.488 5.198 1.00 0.00 C ATOM 0 H ALA A 40 -6.556 12.239 3.189 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.185 14.533 3.582 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.503 14.242 5.943 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.006 12.702 5.205 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.277 13.058 5.434 1.00 0.00 H new ATOM 393 N LEU A 41 -4.966 14.997 3.430 1.00 0.00 N ATOM 394 CA LEU A 41 -3.924 16.016 3.382 1.00 0.00 C ATOM 395 C LEU A 41 -3.692 16.502 1.953 1.00 0.00 C ATOM 396 O LEU A 41 -3.185 17.603 1.737 1.00 0.00 O ATOM 397 CB LEU A 41 -2.621 15.473 3.976 1.00 0.00 C ATOM 398 CG LEU A 41 -1.841 14.511 3.075 1.00 0.00 C ATOM 399 CD1 LEU A 41 -0.606 15.192 2.507 1.00 0.00 C ATOM 400 CD2 LEU A 41 -1.452 13.255 3.843 1.00 0.00 C ATOM 0 H LEU A 41 -4.659 14.065 3.150 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.257 16.866 3.977 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.976 16.316 4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.852 14.962 4.911 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.486 14.221 2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.065 14.492 1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.907 16.060 1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.041 15.513 3.324 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.899 12.584 3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.827 13.527 4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.352 12.753 4.200 1.00 0.00 H new ATOM 412 N LYS A 42 -4.066 15.676 0.979 1.00 0.00 N ATOM 413 CA LYS A 42 -3.899 16.026 -0.427 1.00 0.00 C ATOM 414 C LYS A 42 -2.423 16.193 -0.775 1.00 0.00 C ATOM 415 O LYS A 42 -1.547 15.925 0.048 1.00 0.00 O ATOM 416 CB LYS A 42 -4.662 17.311 -0.750 1.00 0.00 C ATOM 417 CG LYS A 42 -6.153 17.223 -0.460 1.00 0.00 C ATOM 418 CD LYS A 42 -6.522 17.983 0.804 1.00 0.00 C ATOM 419 CE LYS A 42 -7.954 17.695 1.230 1.00 0.00 C ATOM 420 NZ LYS A 42 -8.696 18.944 1.557 1.00 0.00 N ATOM 0 H LYS A 42 -4.486 14.760 1.139 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.305 15.212 -1.028 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.236 18.132 -0.173 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.519 17.554 -1.803 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.713 17.626 -1.304 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.443 16.178 -0.355 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.840 17.707 1.608 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.400 19.053 0.635 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -8.471 17.164 0.431 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.949 17.037 2.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.667 18.706 1.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.217 19.438 2.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.723 19.561 0.720 1.00 0.00 H new ATOM 434 N ASP A 43 -2.154 16.637 -1.999 1.00 0.00 N ATOM 435 CA ASP A 43 -0.784 16.839 -2.456 1.00 0.00 C ATOM 436 C ASP A 43 -0.015 15.521 -2.459 1.00 0.00 C ATOM 437 O ASP A 43 -0.354 14.592 -1.726 1.00 0.00 O ATOM 438 CB ASP A 43 -0.074 17.862 -1.564 1.00 0.00 C ATOM 439 CG ASP A 43 0.252 19.145 -2.304 1.00 0.00 C ATOM 440 OD1 ASP A 43 1.144 19.116 -3.178 1.00 0.00 O ATOM 441 OD2 ASP A 43 -0.384 20.178 -2.007 1.00 0.00 O ATOM 0 H ASP A 43 -2.867 16.864 -2.692 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.816 17.221 -3.476 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.705 18.091 -0.705 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.846 17.425 -1.176 1.00 0.00 H new ATOM 446 N GLY A 44 1.021 15.446 -3.290 1.00 0.00 N ATOM 447 CA GLY A 44 1.818 14.236 -3.372 1.00 0.00 C ATOM 448 C GLY A 44 1.017 13.052 -3.878 1.00 0.00 C ATOM 449 O GLY A 44 1.253 11.915 -3.475 1.00 0.00 O ATOM 0 H GLY A 44 1.322 16.201 -3.907 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.667 14.407 -4.034 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.223 14.003 -2.387 1.00 0.00 H new ATOM 453 N LYS A 45 0.065 13.325 -4.761 1.00 0.00 N ATOM 454 CA LYS A 45 -0.781 12.279 -5.324 1.00 0.00 C ATOM 455 C LYS A 45 0.038 11.271 -6.134 1.00 0.00 C ATOM 456 O LYS A 45 -0.020 10.071 -5.874 1.00 0.00 O ATOM 457 CB LYS A 45 -1.871 12.895 -6.205 1.00 0.00 C ATOM 458 CG LYS A 45 -2.911 13.678 -5.422 1.00 0.00 C ATOM 459 CD LYS A 45 -3.789 12.760 -4.585 1.00 0.00 C ATOM 460 CE LYS A 45 -4.250 13.443 -3.308 1.00 0.00 C ATOM 461 NZ LYS A 45 -5.218 14.540 -3.582 1.00 0.00 N ATOM 0 H LYS A 45 -0.141 14.263 -5.104 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.246 11.747 -4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.406 13.555 -6.937 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.369 12.101 -6.762 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.413 14.398 -4.772 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.533 14.248 -6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.657 12.453 -5.169 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.236 11.854 -4.335 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.712 12.707 -2.650 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.386 13.845 -2.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.648 14.855 -2.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.721 15.338 -4.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.962 14.195 -4.221 1.00 0.00 H new ATOM 475 N PRO A 46 0.811 11.739 -7.135 1.00 0.00 N ATOM 476 CA PRO A 46 1.629 10.860 -7.978 1.00 0.00 C ATOM 477 C PRO A 46 2.553 9.955 -7.169 1.00 0.00 C ATOM 478 O PRO A 46 2.692 8.770 -7.470 1.00 0.00 O ATOM 479 CB PRO A 46 2.448 11.829 -8.845 1.00 0.00 C ATOM 480 CG PRO A 46 2.281 13.171 -8.215 1.00 0.00 C ATOM 481 CD PRO A 46 0.945 13.148 -7.533 1.00 0.00 C ATOM 0 HA PRO A 46 1.006 10.178 -8.557 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.498 11.537 -8.874 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.090 11.832 -9.874 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.080 13.368 -7.500 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.322 13.961 -8.965 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.918 13.816 -6.672 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.143 13.458 -8.203 1.00 0.00 H new ATOM 489 N GLU A 47 3.189 10.514 -6.147 1.00 0.00 N ATOM 490 CA GLU A 47 4.100 9.743 -5.311 1.00 0.00 C ATOM 491 C GLU A 47 3.351 8.674 -4.519 1.00 0.00 C ATOM 492 O GLU A 47 3.824 7.545 -4.380 1.00 0.00 O ATOM 493 CB GLU A 47 4.865 10.666 -4.358 1.00 0.00 C ATOM 494 CG GLU A 47 3.965 11.559 -3.520 1.00 0.00 C ATOM 495 CD GLU A 47 4.728 12.314 -2.449 1.00 0.00 C ATOM 496 OE1 GLU A 47 5.693 11.746 -1.896 1.00 0.00 O ATOM 497 OE2 GLU A 47 4.362 13.474 -2.165 1.00 0.00 O ATOM 0 H GLU A 47 3.092 11.493 -5.878 1.00 0.00 H new ATOM 0 HA GLU A 47 4.813 9.244 -5.967 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.480 10.059 -3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.544 11.291 -4.938 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.458 12.272 -4.171 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.192 10.951 -3.050 1.00 0.00 H new ATOM 504 N VAL A 48 2.182 9.035 -4.001 1.00 0.00 N ATOM 505 CA VAL A 48 1.376 8.102 -3.222 1.00 0.00 C ATOM 506 C VAL A 48 0.765 7.022 -4.105 1.00 0.00 C ATOM 507 O VAL A 48 0.967 5.836 -3.869 1.00 0.00 O ATOM 508 CB VAL A 48 0.248 8.828 -2.459 1.00 0.00 C ATOM 509 CG1 VAL A 48 -0.533 7.849 -1.595 1.00 0.00 C ATOM 510 CG2 VAL A 48 0.815 9.959 -1.613 1.00 0.00 C ATOM 0 H VAL A 48 1.773 9.963 -4.106 1.00 0.00 H new ATOM 0 HA VAL A 48 2.049 7.636 -2.502 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.437 9.258 -3.189 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.323 8.381 -1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.975 7.078 -2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.139 7.385 -0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.004 10.459 -1.083 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.524 9.553 -0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.323 10.676 -2.258 1.00 0.00 H new ATOM 520 N ASN A 49 0.018 7.427 -5.124 1.00 0.00 N ATOM 521 CA ASN A 49 -0.609 6.462 -6.019 1.00 0.00 C ATOM 522 C ASN A 49 0.440 5.576 -6.688 1.00 0.00 C ATOM 523 O ASN A 49 0.147 4.451 -7.086 1.00 0.00 O ATOM 524 CB ASN A 49 -1.461 7.167 -7.077 1.00 0.00 C ATOM 525 CG ASN A 49 -0.709 8.266 -7.800 1.00 0.00 C ATOM 526 OD1 ASN A 49 0.443 8.093 -8.193 1.00 0.00 O ATOM 527 ND2 ASN A 49 -1.367 9.406 -7.983 1.00 0.00 N ATOM 0 H ASN A 49 -0.167 8.404 -5.350 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.262 5.829 -5.418 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.810 6.433 -7.804 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.346 7.591 -6.601 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -0.917 10.183 -8.467 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -2.322 9.504 -7.639 1.00 0.00 H new ATOM 534 N ARG A 50 1.662 6.086 -6.809 1.00 0.00 N ATOM 535 CA ARG A 50 2.744 5.330 -7.431 1.00 0.00 C ATOM 536 C ARG A 50 3.232 4.205 -6.521 1.00 0.00 C ATOM 537 O ARG A 50 3.387 3.062 -6.958 1.00 0.00 O ATOM 538 CB ARG A 50 3.908 6.259 -7.784 1.00 0.00 C ATOM 539 CG ARG A 50 5.093 5.541 -8.414 1.00 0.00 C ATOM 540 CD ARG A 50 5.736 6.379 -9.506 1.00 0.00 C ATOM 541 NE ARG A 50 7.089 5.922 -9.822 1.00 0.00 N ATOM 542 CZ ARG A 50 8.139 6.106 -9.025 1.00 0.00 C ATOM 543 NH1 ARG A 50 7.999 6.734 -7.864 1.00 0.00 N ATOM 544 NH2 ARG A 50 9.332 5.658 -9.389 1.00 0.00 N ATOM 0 H ARG A 50 1.927 7.016 -6.486 1.00 0.00 H new ATOM 0 HA ARG A 50 2.353 4.882 -8.345 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.553 7.027 -8.471 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.242 6.769 -6.880 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.832 5.314 -7.646 1.00 0.00 H new ATOM 0 HG3 ARG A 50 4.763 4.589 -8.831 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.120 6.338 -10.405 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.770 7.422 -9.190 1.00 0.00 H new ATOM 0 HE ARG A 50 7.237 5.434 -10.705 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.083 7.079 -7.578 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.808 6.872 -7.258 1.00 0.00 H new ATOM 0 HH21 ARG A 50 9.445 5.173 -10.279 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.137 5.798 -8.779 1.00 0.00 H new ATOM 558 N GLN A 51 3.461 4.528 -5.253 1.00 0.00 N ATOM 559 CA GLN A 51 3.923 3.535 -4.289 1.00 0.00 C ATOM 560 C GLN A 51 2.763 2.652 -3.873 1.00 0.00 C ATOM 561 O GLN A 51 2.869 1.426 -3.841 1.00 0.00 O ATOM 562 CB GLN A 51 4.533 4.220 -3.064 1.00 0.00 C ATOM 563 CG GLN A 51 6.040 4.398 -3.153 1.00 0.00 C ATOM 564 CD GLN A 51 6.512 5.692 -2.518 1.00 0.00 C ATOM 565 OE1 GLN A 51 7.195 6.495 -3.154 1.00 0.00 O ATOM 566 NE2 GLN A 51 6.151 5.898 -1.256 1.00 0.00 N ATOM 0 H GLN A 51 3.335 5.465 -4.870 1.00 0.00 H new ATOM 0 HA GLN A 51 4.693 2.920 -4.756 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.067 5.197 -2.935 1.00 0.00 H new ATOM 0 HB3 GLN A 51 4.297 3.634 -2.176 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.531 3.557 -2.664 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.343 4.379 -4.200 1.00 0.00 H new ATOM 0 HE21 GLN A 51 5.584 5.204 -0.768 1.00 0.00 H new ATOM 0 HE22 GLN A 51 6.441 6.750 -0.775 1.00 0.00 H new ATOM 575 N ILE A 52 1.648 3.297 -3.576 1.00 0.00 N ATOM 576 CA ILE A 52 0.438 2.608 -3.178 1.00 0.00 C ATOM 577 C ILE A 52 0.012 1.614 -4.258 1.00 0.00 C ATOM 578 O ILE A 52 -0.514 0.543 -3.957 1.00 0.00 O ATOM 579 CB ILE A 52 -0.693 3.625 -2.917 1.00 0.00 C ATOM 580 CG1 ILE A 52 -0.343 4.488 -1.695 1.00 0.00 C ATOM 581 CG2 ILE A 52 -2.021 2.915 -2.729 1.00 0.00 C ATOM 582 CD1 ILE A 52 -1.544 4.956 -0.896 1.00 0.00 C ATOM 0 H ILE A 52 1.559 4.313 -3.605 1.00 0.00 H new ATOM 0 HA ILE A 52 0.637 2.059 -2.258 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.792 4.278 -3.784 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.315 3.918 -1.039 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.218 5.360 -2.030 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.804 3.651 -2.546 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.260 2.346 -3.628 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.954 2.237 -1.878 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.207 5.558 -0.052 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.194 5.556 -1.533 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.095 4.091 -0.527 1.00 0.00 H new ATOM 594 N LYS A 53 0.260 1.972 -5.516 1.00 0.00 N ATOM 595 CA LYS A 53 -0.082 1.107 -6.638 1.00 0.00 C ATOM 596 C LYS A 53 0.815 -0.125 -6.656 1.00 0.00 C ATOM 597 O LYS A 53 0.330 -1.254 -6.699 1.00 0.00 O ATOM 598 CB LYS A 53 0.034 1.868 -7.961 1.00 0.00 C ATOM 599 CG LYS A 53 -0.263 1.018 -9.185 1.00 0.00 C ATOM 600 CD LYS A 53 -1.756 0.777 -9.350 1.00 0.00 C ATOM 601 CE LYS A 53 -2.052 -0.675 -9.691 1.00 0.00 C ATOM 602 NZ LYS A 53 -3.411 -0.844 -10.273 1.00 0.00 N ATOM 0 H LYS A 53 0.696 2.855 -5.782 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.115 0.782 -6.516 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.652 2.715 -7.943 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.041 2.275 -8.048 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.127 1.512 -10.075 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.253 0.062 -9.099 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.273 1.048 -8.430 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.145 1.423 -10.137 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.307 -1.041 -10.397 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.964 -1.284 -8.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.573 -1.848 -10.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.124 -0.519 -9.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.487 -0.283 -11.146 1.00 0.00 H new ATOM 616 N ASN A 54 2.129 0.094 -6.611 1.00 0.00 N ATOM 617 CA ASN A 54 3.084 -1.014 -6.616 1.00 0.00 C ATOM 618 C ASN A 54 2.728 -2.032 -5.538 1.00 0.00 C ATOM 619 O ASN A 54 2.920 -3.235 -5.721 1.00 0.00 O ATOM 620 CB ASN A 54 4.510 -0.501 -6.391 1.00 0.00 C ATOM 621 CG ASN A 54 4.823 0.736 -7.210 1.00 0.00 C ATOM 622 OD1 ASN A 54 5.532 1.681 -6.603 1.00 0.00 O flip ATOM 623 ND2 ASN A 54 4.435 0.840 -8.373 1.00 0.00 N flip ATOM 0 H ASN A 54 2.554 1.020 -6.571 1.00 0.00 H new ATOM 0 HA ASN A 54 3.033 -1.497 -7.592 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.648 -0.276 -5.333 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.219 -1.289 -6.645 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.893 0.088 -8.799 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.656 1.678 -8.911 1.00 0.00 H new ATOM 630 N LEU A 55 2.201 -1.545 -4.419 1.00 0.00 N ATOM 631 CA LEU A 55 1.812 -2.418 -3.323 1.00 0.00 C ATOM 632 C LEU A 55 0.500 -3.118 -3.643 1.00 0.00 C ATOM 633 O LEU A 55 0.359 -4.322 -3.428 1.00 0.00 O ATOM 634 CB LEU A 55 1.689 -1.624 -2.020 1.00 0.00 C ATOM 635 CG LEU A 55 2.871 -0.703 -1.714 1.00 0.00 C ATOM 636 CD1 LEU A 55 2.402 0.544 -0.977 1.00 0.00 C ATOM 637 CD2 LEU A 55 3.924 -1.442 -0.903 1.00 0.00 C ATOM 0 H LEU A 55 2.035 -0.553 -4.250 1.00 0.00 H new ATOM 0 HA LEU A 55 2.587 -3.174 -3.194 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.780 -1.023 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.570 -2.325 -1.194 1.00 0.00 H new ATOM 0 HG LEU A 55 3.320 -0.392 -2.658 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.257 1.187 -0.768 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.685 1.084 -1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.928 0.255 -0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.758 -0.772 -0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.487 -1.782 0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.282 -2.302 -1.469 1.00 0.00 H new ATOM 649 N GLU A 56 -0.451 -2.365 -4.189 1.00 0.00 N ATOM 650 CA GLU A 56 -1.737 -2.937 -4.569 1.00 0.00 C ATOM 651 C GLU A 56 -1.499 -4.087 -5.539 1.00 0.00 C ATOM 652 O GLU A 56 -2.199 -5.099 -5.517 1.00 0.00 O ATOM 653 CB GLU A 56 -2.631 -1.873 -5.211 1.00 0.00 C ATOM 654 CG GLU A 56 -4.004 -1.766 -4.570 1.00 0.00 C ATOM 655 CD GLU A 56 -5.122 -1.678 -5.592 1.00 0.00 C ATOM 656 OE1 GLU A 56 -4.913 -1.039 -6.645 1.00 0.00 O ATOM 657 OE2 GLU A 56 -6.204 -2.248 -5.340 1.00 0.00 O ATOM 0 H GLU A 56 -0.356 -1.367 -4.376 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.245 -3.309 -3.679 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.133 -0.905 -5.148 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.750 -2.101 -6.270 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.170 -2.632 -3.930 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.033 -0.885 -3.929 1.00 0.00 H new ATOM 664 N ILE A 57 -0.477 -3.918 -6.372 1.00 0.00 N ATOM 665 CA ILE A 57 -0.091 -4.923 -7.343 1.00 0.00 C ATOM 666 C ILE A 57 0.524 -6.125 -6.639 1.00 0.00 C ATOM 667 O ILE A 57 0.223 -7.273 -6.967 1.00 0.00 O ATOM 668 CB ILE A 57 0.926 -4.344 -8.341 1.00 0.00 C ATOM 669 CG1 ILE A 57 0.363 -3.081 -8.985 1.00 0.00 C ATOM 670 CG2 ILE A 57 1.296 -5.368 -9.401 1.00 0.00 C ATOM 671 CD1 ILE A 57 1.427 -2.087 -9.383 1.00 0.00 C ATOM 0 H ILE A 57 0.103 -3.079 -6.389 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.984 -5.236 -7.883 1.00 0.00 H new ATOM 0 HB ILE A 57 1.835 -4.087 -7.797 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.214 -3.358 -9.868 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.328 -2.604 -8.290 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.016 -4.931 -10.093 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.736 -6.243 -8.923 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.401 -5.665 -9.948 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.958 -1.213 -9.834 1.00 0.00 H new ATOM 0 HD12 ILE A 57 1.989 -1.782 -8.500 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.104 -2.547 -10.102 1.00 0.00 H new ATOM 683 N SER A 58 1.387 -5.849 -5.664 1.00 0.00 N ATOM 684 CA SER A 58 2.040 -6.910 -4.904 1.00 0.00 C ATOM 685 C SER A 58 1.005 -7.808 -4.234 1.00 0.00 C ATOM 686 O SER A 58 1.101 -9.034 -4.289 1.00 0.00 O ATOM 687 CB SER A 58 2.973 -6.310 -3.849 1.00 0.00 C ATOM 688 OG SER A 58 3.896 -7.276 -3.378 1.00 0.00 O ATOM 0 H SER A 58 1.649 -4.904 -5.383 1.00 0.00 H new ATOM 0 HA SER A 58 2.628 -7.513 -5.596 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.512 -5.464 -4.275 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.385 -5.926 -3.015 1.00 0.00 H new ATOM 0 HG SER A 58 4.482 -6.868 -2.707 1.00 0.00 H new ATOM 694 N ILE A 59 0.010 -7.186 -3.608 1.00 0.00 N ATOM 695 CA ILE A 59 -1.050 -7.923 -2.932 1.00 0.00 C ATOM 696 C ILE A 59 -1.796 -8.819 -3.914 1.00 0.00 C ATOM 697 O ILE A 59 -1.917 -10.029 -3.706 1.00 0.00 O ATOM 698 CB ILE A 59 -2.055 -6.966 -2.256 1.00 0.00 C ATOM 699 CG1 ILE A 59 -1.325 -5.996 -1.326 1.00 0.00 C ATOM 700 CG2 ILE A 59 -3.107 -7.751 -1.487 1.00 0.00 C ATOM 701 CD1 ILE A 59 -2.022 -4.661 -1.180 1.00 0.00 C ATOM 0 H ILE A 59 -0.083 -6.172 -3.556 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.578 -8.538 -2.166 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.557 -6.389 -3.033 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.225 -6.454 -0.342 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.316 -5.831 -1.705 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.806 -7.059 -1.018 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.647 -8.404 -2.173 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.622 -8.354 -0.719 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.449 -4.023 -0.507 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.099 -4.182 -2.156 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.021 -4.815 -0.772 1.00 0.00 H new ATOM 713 N ASP A 60 -2.293 -8.217 -4.992 1.00 0.00 N ATOM 714 CA ASP A 60 -3.024 -8.958 -6.011 1.00 0.00 C ATOM 715 C ASP A 60 -2.165 -10.082 -6.577 1.00 0.00 C ATOM 716 O ASP A 60 -2.671 -11.147 -6.931 1.00 0.00 O ATOM 717 CB ASP A 60 -3.467 -8.021 -7.136 1.00 0.00 C ATOM 718 CG ASP A 60 -4.857 -7.459 -6.905 1.00 0.00 C ATOM 719 OD1 ASP A 60 -5.767 -8.245 -6.567 1.00 0.00 O ATOM 720 OD2 ASP A 60 -5.035 -6.232 -7.063 1.00 0.00 O ATOM 0 H ASP A 60 -2.202 -7.219 -5.180 1.00 0.00 H new ATOM 0 HA ASP A 60 -3.908 -9.395 -5.547 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.756 -7.200 -7.223 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -3.449 -8.560 -8.083 1.00 0.00 H new ATOM 725 N ALA A 61 -0.859 -9.841 -6.653 1.00 0.00 N ATOM 726 CA ALA A 61 0.068 -10.841 -7.167 1.00 0.00 C ATOM 727 C ALA A 61 0.009 -12.106 -6.322 1.00 0.00 C ATOM 728 O ALA A 61 -0.133 -13.212 -6.846 1.00 0.00 O ATOM 729 CB ALA A 61 1.485 -10.285 -7.193 1.00 0.00 C ATOM 0 H ALA A 61 -0.421 -8.965 -6.366 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.225 -11.093 -8.186 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.166 -11.043 -7.579 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.519 -9.405 -7.836 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.786 -10.008 -6.183 1.00 0.00 H new ATOM 735 N LEU A 62 0.103 -11.935 -5.004 1.00 0.00 N ATOM 736 CA LEU A 62 0.045 -13.060 -4.085 1.00 0.00 C ATOM 737 C LEU A 62 -1.230 -13.861 -4.296 1.00 0.00 C ATOM 738 O LEU A 62 -1.177 -15.065 -4.531 1.00 0.00 O ATOM 739 CB LEU A 62 0.112 -12.571 -2.640 1.00 0.00 C ATOM 740 CG LEU A 62 1.494 -12.102 -2.189 1.00 0.00 C ATOM 741 CD1 LEU A 62 1.537 -10.585 -2.069 1.00 0.00 C ATOM 742 CD2 LEU A 62 1.884 -12.761 -0.871 1.00 0.00 C ATOM 0 H LEU A 62 0.219 -11.027 -4.554 1.00 0.00 H new ATOM 0 HA LEU A 62 0.902 -13.704 -4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.594 -11.750 -2.515 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.216 -13.376 -1.983 1.00 0.00 H new ATOM 0 HG LEU A 62 2.219 -12.402 -2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.531 -10.274 -1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.313 -10.137 -3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.799 -10.257 -1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.872 -12.413 -0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.156 -12.499 -0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.904 -13.843 -0.997 1.00 0.00 H new ATOM 754 N MET A 63 -2.372 -13.179 -4.219 1.00 0.00 N ATOM 755 CA MET A 63 -3.672 -13.827 -4.396 1.00 0.00 C ATOM 756 C MET A 63 -3.662 -14.768 -5.595 1.00 0.00 C ATOM 757 O MET A 63 -3.962 -15.955 -5.465 1.00 0.00 O ATOM 758 CB MET A 63 -4.767 -12.774 -4.575 1.00 0.00 C ATOM 759 CG MET A 63 -6.127 -13.214 -4.059 1.00 0.00 C ATOM 760 SD MET A 63 -6.122 -13.552 -2.288 1.00 0.00 S ATOM 761 CE MET A 63 -5.196 -12.147 -1.677 1.00 0.00 C ATOM 0 H MET A 63 -2.424 -12.177 -4.035 1.00 0.00 H new ATOM 0 HA MET A 63 -3.877 -14.415 -3.501 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.470 -11.862 -4.058 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.852 -12.527 -5.633 1.00 0.00 H new ATOM 0 HG2 MET A 63 -6.861 -12.438 -4.275 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.442 -14.109 -4.595 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.531 -11.901 -0.669 1.00 0.00 H new ATOM 0 HE2 MET A 63 -4.134 -12.392 -1.657 1.00 0.00 H new ATOM 0 HE3 MET A 63 -5.358 -11.291 -2.332 1.00 0.00 H new ATOM 771 N ALA A 64 -3.304 -14.240 -6.758 1.00 0.00 N ATOM 772 CA ALA A 64 -3.244 -15.049 -7.967 1.00 0.00 C ATOM 773 C ALA A 64 -2.212 -16.164 -7.815 1.00 0.00 C ATOM 774 O ALA A 64 -2.300 -17.199 -8.476 1.00 0.00 O ATOM 775 CB ALA A 64 -2.918 -14.178 -9.171 1.00 0.00 C ATOM 0 H ALA A 64 -3.052 -13.260 -6.889 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.220 -15.507 -8.126 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.877 -14.797 -10.067 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.690 -13.418 -9.290 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.953 -13.694 -9.019 1.00 0.00 H new ATOM 781 N LYS A 65 -1.241 -15.948 -6.931 1.00 0.00 N ATOM 782 CA LYS A 65 -0.198 -16.934 -6.679 1.00 0.00 C ATOM 783 C LYS A 65 -0.691 -17.993 -5.702 1.00 0.00 C ATOM 784 O LYS A 65 -0.241 -19.138 -5.727 1.00 0.00 O ATOM 785 CB LYS A 65 1.057 -16.254 -6.127 1.00 0.00 C ATOM 786 CG LYS A 65 2.038 -15.824 -7.208 1.00 0.00 C ATOM 787 CD LYS A 65 3.457 -16.263 -6.882 1.00 0.00 C ATOM 788 CE LYS A 65 3.938 -15.667 -5.569 1.00 0.00 C ATOM 789 NZ LYS A 65 3.761 -14.190 -5.530 1.00 0.00 N ATOM 0 H LYS A 65 -1.156 -15.096 -6.377 1.00 0.00 H new ATOM 0 HA LYS A 65 0.052 -17.418 -7.623 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.762 -15.380 -5.546 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.559 -16.937 -5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.736 -16.249 -8.165 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.008 -14.740 -7.317 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.498 -17.351 -6.826 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.127 -15.960 -7.687 1.00 0.00 H new ATOM 0 HE2 LYS A 65 3.390 -16.120 -4.743 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.991 -15.910 -5.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.237 -13.805 -4.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.175 -13.768 -6.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.747 -13.963 -5.488 1.00 0.00 H new ATOM 803 N ILE A 66 -1.608 -17.596 -4.833 1.00 0.00 N ATOM 804 CA ILE A 66 -2.154 -18.505 -3.836 1.00 0.00 C ATOM 805 C ILE A 66 -3.077 -19.535 -4.472 1.00 0.00 C ATOM 806 O ILE A 66 -3.067 -20.708 -4.097 1.00 0.00 O ATOM 807 CB ILE A 66 -2.935 -17.764 -2.732 1.00 0.00 C ATOM 808 CG1 ILE A 66 -2.382 -16.359 -2.511 1.00 0.00 C ATOM 809 CG2 ILE A 66 -2.888 -18.561 -1.443 1.00 0.00 C ATOM 810 CD1 ILE A 66 -0.909 -16.321 -2.158 1.00 0.00 C ATOM 0 H ILE A 66 -1.990 -16.651 -4.798 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.296 -19.004 -3.386 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.972 -17.666 -3.053 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.543 -15.771 -3.414 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.948 -15.879 -1.713 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.442 -18.032 -0.668 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.337 -19.541 -1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.852 -18.684 -1.129 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.595 -15.287 -2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.741 -16.879 -1.237 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.330 -16.769 -2.965 1.00 0.00 H new ATOM 822 N LYS A 67 -3.886 -19.088 -5.425 1.00 0.00 N ATOM 823 CA LYS A 67 -4.830 -19.970 -6.102 1.00 0.00 C ATOM 824 C LYS A 67 -4.235 -20.566 -7.375 1.00 0.00 C ATOM 825 O LYS A 67 -4.610 -21.664 -7.786 1.00 0.00 O ATOM 826 CB LYS A 67 -6.113 -19.208 -6.437 1.00 0.00 C ATOM 827 CG LYS A 67 -6.959 -18.876 -5.218 1.00 0.00 C ATOM 828 CD LYS A 67 -7.576 -20.127 -4.608 1.00 0.00 C ATOM 829 CE LYS A 67 -9.082 -19.990 -4.458 1.00 0.00 C ATOM 830 NZ LYS A 67 -9.452 -18.834 -3.595 1.00 0.00 N ATOM 0 H LYS A 67 -3.908 -18.120 -5.747 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.058 -20.792 -5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.853 -18.283 -6.951 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.708 -19.802 -7.131 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.343 -18.373 -4.473 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.749 -18.180 -5.501 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.349 -20.989 -5.236 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.128 -20.316 -3.632 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.535 -19.868 -5.442 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.489 -20.907 -4.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.421 -18.962 -3.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.794 -18.776 -2.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.399 -17.956 -4.150 1.00 0.00 H new ATOM 844 N SER A 68 -3.316 -19.838 -8.006 1.00 0.00 N ATOM 845 CA SER A 68 -2.694 -20.312 -9.237 1.00 0.00 C ATOM 846 C SER A 68 -1.284 -20.840 -8.990 1.00 0.00 C ATOM 847 O SER A 68 -0.457 -20.870 -9.901 1.00 0.00 O ATOM 848 CB SER A 68 -2.658 -19.194 -10.281 1.00 0.00 C ATOM 849 OG SER A 68 -2.711 -19.722 -11.595 1.00 0.00 O ATOM 0 H SER A 68 -2.989 -18.926 -7.688 1.00 0.00 H new ATOM 0 HA SER A 68 -3.300 -21.137 -9.613 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.498 -18.518 -10.123 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.748 -18.606 -10.158 1.00 0.00 H new ATOM 0 HG SER A 68 -2.688 -18.988 -12.244 1.00 0.00 H new ATOM 855 N THR A 69 -1.022 -21.263 -7.760 1.00 0.00 N ATOM 856 CA THR A 69 0.282 -21.799 -7.390 1.00 0.00 C ATOM 857 C THR A 69 0.331 -22.153 -5.908 1.00 0.00 C ATOM 858 O THR A 69 -0.348 -21.535 -5.088 1.00 0.00 O ATOM 859 CB THR A 69 1.386 -20.801 -7.730 1.00 0.00 C ATOM 860 OG1 THR A 69 0.869 -19.485 -7.815 1.00 0.00 O ATOM 861 CG2 THR A 69 2.068 -21.107 -9.039 1.00 0.00 C ATOM 0 H THR A 69 -1.699 -21.245 -6.998 1.00 0.00 H new ATOM 0 HA THR A 69 0.443 -22.712 -7.963 1.00 0.00 H new ATOM 0 HB THR A 69 2.113 -20.884 -6.923 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.921 -19.056 -6.936 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.843 -20.364 -9.228 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.519 -22.098 -8.991 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.336 -21.080 -9.846 1.00 0.00 H new ATOM 869 N MET A 70 1.140 -23.153 -5.574 1.00 0.00 N ATOM 870 CA MET A 70 1.281 -23.594 -4.192 1.00 0.00 C ATOM 871 C MET A 70 2.127 -22.608 -3.390 1.00 0.00 C ATOM 872 O MET A 70 3.214 -22.945 -2.920 1.00 0.00 O ATOM 873 CB MET A 70 1.913 -24.987 -4.144 1.00 0.00 C ATOM 874 CG MET A 70 1.440 -25.831 -2.972 1.00 0.00 C ATOM 875 SD MET A 70 2.285 -27.420 -2.873 1.00 0.00 S ATOM 876 CE MET A 70 3.979 -26.887 -2.628 1.00 0.00 C ATOM 0 H MET A 70 1.708 -23.673 -6.242 1.00 0.00 H new ATOM 0 HA MET A 70 0.288 -23.638 -3.745 1.00 0.00 H new ATOM 0 HB2 MET A 70 1.687 -25.511 -5.073 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.997 -24.883 -4.092 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.600 -25.280 -2.045 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.367 -26.000 -3.061 1.00 0.00 H new ATOM 0 HE1 MET A 70 4.556 -27.699 -2.185 1.00 0.00 H new ATOM 0 HE2 MET A 70 4.417 -26.613 -3.588 1.00 0.00 H new ATOM 0 HE3 MET A 70 3.996 -26.025 -1.962 1.00 0.00 H new ATOM 886 N MET A 71 1.620 -21.391 -3.238 1.00 0.00 N ATOM 887 CA MET A 71 2.329 -20.357 -2.493 1.00 0.00 C ATOM 888 C MET A 71 2.506 -20.766 -1.035 1.00 0.00 C ATOM 889 O MET A 71 1.534 -21.070 -0.343 1.00 0.00 O ATOM 890 CB MET A 71 1.576 -19.027 -2.582 1.00 0.00 C ATOM 891 CG MET A 71 2.386 -17.915 -3.225 1.00 0.00 C ATOM 892 SD MET A 71 3.980 -17.660 -2.422 1.00 0.00 S ATOM 893 CE MET A 71 3.907 -15.904 -2.075 1.00 0.00 C ATOM 0 H MET A 71 0.722 -21.095 -3.620 1.00 0.00 H new ATOM 0 HA MET A 71 3.317 -20.233 -2.937 1.00 0.00 H new ATOM 0 HB2 MET A 71 0.659 -19.175 -3.153 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.281 -18.718 -1.579 1.00 0.00 H new ATOM 0 HG2 MET A 71 2.547 -18.151 -4.277 1.00 0.00 H new ATOM 0 HG3 MET A 71 1.814 -16.988 -3.190 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.505 -15.363 -2.808 1.00 0.00 H new ATOM 0 HE2 MET A 71 2.872 -15.565 -2.129 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.299 -15.714 -1.076 1.00 0.00 H new ATOM 903 N THR A 72 3.752 -20.769 -0.574 1.00 0.00 N ATOM 904 CA THR A 72 4.055 -21.139 0.803 1.00 0.00 C ATOM 905 C THR A 72 3.718 -19.998 1.756 1.00 0.00 C ATOM 906 O THR A 72 4.021 -18.838 1.481 1.00 0.00 O ATOM 907 CB THR A 72 5.532 -21.514 0.938 1.00 0.00 C ATOM 908 OG1 THR A 72 5.955 -22.295 -0.165 1.00 0.00 O ATOM 909 CG2 THR A 72 5.836 -22.297 2.197 1.00 0.00 C ATOM 0 H THR A 72 4.568 -20.520 -1.133 1.00 0.00 H new ATOM 0 HA THR A 72 3.444 -22.002 1.067 1.00 0.00 H new ATOM 0 HB THR A 72 6.068 -20.566 0.979 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.902 -22.523 -0.060 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.900 -22.531 2.232 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.567 -21.702 3.070 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.260 -23.223 2.198 1.00 0.00 H new ATOM 917 N ARG A 73 3.091 -20.335 2.878 1.00 0.00 N ATOM 918 CA ARG A 73 2.714 -19.335 3.874 1.00 0.00 C ATOM 919 C ARG A 73 3.913 -18.482 4.269 1.00 0.00 C ATOM 920 O ARG A 73 3.780 -17.285 4.524 1.00 0.00 O ATOM 921 CB ARG A 73 2.124 -20.013 5.111 1.00 0.00 C ATOM 922 CG ARG A 73 0.932 -20.908 4.806 1.00 0.00 C ATOM 923 CD ARG A 73 1.024 -22.232 5.548 1.00 0.00 C ATOM 924 NE ARG A 73 2.083 -23.085 5.014 1.00 0.00 N ATOM 925 CZ ARG A 73 2.147 -24.401 5.209 1.00 0.00 C ATOM 926 NH1 ARG A 73 1.216 -25.017 5.927 1.00 0.00 N ATOM 927 NH2 ARG A 73 3.143 -25.100 4.686 1.00 0.00 N ATOM 0 H ARG A 73 2.833 -21.291 3.122 1.00 0.00 H new ATOM 0 HA ARG A 73 1.959 -18.685 3.432 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.900 -20.607 5.594 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.819 -19.247 5.824 1.00 0.00 H new ATOM 0 HG2 ARG A 73 0.011 -20.397 5.085 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.881 -21.094 3.733 1.00 0.00 H new ATOM 0 HD2 ARG A 73 1.209 -22.043 6.605 1.00 0.00 H new ATOM 0 HD3 ARG A 73 0.069 -22.753 5.480 1.00 0.00 H new ATOM 0 HE ARG A 73 2.817 -22.646 4.458 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.448 -24.482 6.332 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.269 -26.025 6.074 1.00 0.00 H new ATOM 0 HH21 ARG A 73 3.861 -24.630 4.134 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.192 -26.108 4.835 1.00 0.00 H new ATOM 941 N GLU A 74 5.088 -19.104 4.311 1.00 0.00 N ATOM 942 CA GLU A 74 6.312 -18.399 4.669 1.00 0.00 C ATOM 943 C GLU A 74 6.576 -17.259 3.691 1.00 0.00 C ATOM 944 O GLU A 74 6.956 -16.157 4.091 1.00 0.00 O ATOM 945 CB GLU A 74 7.500 -19.364 4.683 1.00 0.00 C ATOM 946 CG GLU A 74 8.456 -19.132 5.841 1.00 0.00 C ATOM 947 CD GLU A 74 7.794 -19.322 7.192 1.00 0.00 C ATOM 948 OE1 GLU A 74 6.942 -20.229 7.312 1.00 0.00 O ATOM 949 OE2 GLU A 74 8.127 -18.566 8.128 1.00 0.00 O ATOM 0 H GLU A 74 5.217 -20.094 4.102 1.00 0.00 H new ATOM 0 HA GLU A 74 6.188 -17.982 5.668 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.126 -20.387 4.730 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.047 -19.267 3.745 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.299 -19.818 5.754 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.859 -18.121 5.777 1.00 0.00 H new ATOM 956 N GLN A 75 6.367 -17.530 2.407 1.00 0.00 N ATOM 957 CA GLN A 75 6.574 -16.528 1.370 1.00 0.00 C ATOM 958 C GLN A 75 5.548 -15.408 1.497 1.00 0.00 C ATOM 959 O GLN A 75 5.837 -14.249 1.196 1.00 0.00 O ATOM 960 CB GLN A 75 6.481 -17.171 -0.016 1.00 0.00 C ATOM 961 CG GLN A 75 7.529 -18.244 -0.260 1.00 0.00 C ATOM 962 CD GLN A 75 8.888 -17.667 -0.603 1.00 0.00 C ATOM 963 OE1 GLN A 75 9.852 -17.832 0.144 1.00 0.00 O ATOM 964 NE2 GLN A 75 8.971 -16.985 -1.739 1.00 0.00 N ATOM 0 H GLN A 75 6.054 -18.437 2.060 1.00 0.00 H new ATOM 0 HA GLN A 75 7.570 -16.104 1.495 1.00 0.00 H new ATOM 0 HB2 GLN A 75 5.490 -17.608 -0.139 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.584 -16.395 -0.775 1.00 0.00 H new ATOM 0 HG2 GLN A 75 7.618 -18.868 0.629 1.00 0.00 H new ATOM 0 HG3 GLN A 75 7.198 -18.891 -1.072 1.00 0.00 H new ATOM 0 HE21 GLN A 75 8.146 -16.873 -2.328 1.00 0.00 H new ATOM 0 HE22 GLN A 75 9.860 -16.573 -2.023 1.00 0.00 H new ATOM 973 N ILE A 76 4.349 -15.760 1.952 1.00 0.00 N ATOM 974 CA ILE A 76 3.280 -14.786 2.129 1.00 0.00 C ATOM 975 C ILE A 76 3.587 -13.850 3.291 1.00 0.00 C ATOM 976 O ILE A 76 3.291 -12.657 3.238 1.00 0.00 O ATOM 977 CB ILE A 76 1.924 -15.474 2.383 1.00 0.00 C ATOM 978 CG1 ILE A 76 1.654 -16.536 1.313 1.00 0.00 C ATOM 979 CG2 ILE A 76 0.803 -14.446 2.412 1.00 0.00 C ATOM 980 CD1 ILE A 76 1.471 -15.962 -0.074 1.00 0.00 C ATOM 0 H ILE A 76 4.094 -16.715 2.205 1.00 0.00 H new ATOM 0 HA ILE A 76 3.216 -14.212 1.205 1.00 0.00 H new ATOM 0 HB ILE A 76 1.963 -15.967 3.354 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.482 -17.244 1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.760 -17.097 1.586 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.147 -14.949 2.592 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.990 -13.726 3.209 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.762 -13.925 1.455 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.284 -16.771 -0.781 1.00 0.00 H new ATOM 0 HD12 ILE A 76 0.624 -15.276 -0.075 1.00 0.00 H new ATOM 0 HD13 ILE A 76 2.373 -15.425 -0.368 1.00 0.00 H new ATOM 992 N GLN A 77 4.190 -14.402 4.341 1.00 0.00 N ATOM 993 CA GLN A 77 4.544 -13.618 5.517 1.00 0.00 C ATOM 994 C GLN A 77 5.599 -12.572 5.170 1.00 0.00 C ATOM 995 O GLN A 77 5.445 -11.392 5.485 1.00 0.00 O ATOM 996 CB GLN A 77 5.058 -14.531 6.631 1.00 0.00 C ATOM 997 CG GLN A 77 3.964 -15.046 7.551 1.00 0.00 C ATOM 998 CD GLN A 77 3.558 -14.031 8.601 1.00 0.00 C ATOM 999 OE1 GLN A 77 4.296 -13.778 9.555 1.00 0.00 O ATOM 1000 NE2 GLN A 77 2.380 -13.443 8.433 1.00 0.00 N ATOM 0 H GLN A 77 4.443 -15.388 4.400 1.00 0.00 H new ATOM 0 HA GLN A 77 3.648 -13.105 5.867 1.00 0.00 H new ATOM 0 HB2 GLN A 77 5.574 -15.380 6.184 1.00 0.00 H new ATOM 0 HB3 GLN A 77 5.793 -13.987 7.224 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.092 -15.316 6.956 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.308 -15.955 8.044 1.00 0.00 H new ATOM 0 HE21 GLN A 77 1.801 -13.682 7.628 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.054 -12.752 9.109 1.00 0.00 H new ATOM 1009 N LYS A 78 6.670 -13.013 4.516 1.00 0.00 N ATOM 1010 CA LYS A 78 7.744 -12.109 4.126 1.00 0.00 C ATOM 1011 C LYS A 78 7.240 -11.073 3.135 1.00 0.00 C ATOM 1012 O LYS A 78 7.489 -9.878 3.296 1.00 0.00 O ATOM 1013 CB LYS A 78 8.915 -12.890 3.526 1.00 0.00 C ATOM 1014 CG LYS A 78 10.225 -12.120 3.532 1.00 0.00 C ATOM 1015 CD LYS A 78 10.932 -12.235 4.874 1.00 0.00 C ATOM 1016 CE LYS A 78 12.012 -13.304 4.844 1.00 0.00 C ATOM 1017 NZ LYS A 78 12.512 -13.627 6.209 1.00 0.00 N ATOM 0 H LYS A 78 6.816 -13.986 4.247 1.00 0.00 H new ATOM 0 HA LYS A 78 8.093 -11.592 5.020 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.046 -13.818 4.083 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.670 -13.166 2.500 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.875 -12.499 2.743 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.033 -11.070 3.309 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.376 -11.275 5.136 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.205 -12.472 5.651 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.616 -14.207 4.379 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.842 -12.964 4.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.247 -14.360 6.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.913 -12.771 6.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.725 -13.976 6.793 1.00 0.00 H new ATOM 1031 N GLU A 79 6.507 -11.524 2.122 1.00 0.00 N ATOM 1032 CA GLU A 79 5.957 -10.607 1.135 1.00 0.00 C ATOM 1033 C GLU A 79 5.111 -9.564 1.844 1.00 0.00 C ATOM 1034 O GLU A 79 5.083 -8.396 1.457 1.00 0.00 O ATOM 1035 CB GLU A 79 5.123 -11.359 0.093 1.00 0.00 C ATOM 1036 CG GLU A 79 5.813 -11.494 -1.255 1.00 0.00 C ATOM 1037 CD GLU A 79 5.335 -12.701 -2.036 1.00 0.00 C ATOM 1038 OE1 GLU A 79 5.812 -13.820 -1.750 1.00 0.00 O ATOM 1039 OE2 GLU A 79 4.486 -12.528 -2.934 1.00 0.00 O ATOM 0 H GLU A 79 6.283 -12.507 1.965 1.00 0.00 H new ATOM 0 HA GLU A 79 6.776 -10.116 0.609 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.891 -12.353 0.474 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.174 -10.840 -0.044 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.635 -10.593 -1.842 1.00 0.00 H new ATOM 0 HG3 GLU A 79 6.890 -11.568 -1.102 1.00 0.00 H new ATOM 1046 N TYR A 80 4.458 -9.992 2.922 1.00 0.00 N ATOM 1047 CA TYR A 80 3.656 -9.088 3.721 1.00 0.00 C ATOM 1048 C TYR A 80 4.575 -8.045 4.335 1.00 0.00 C ATOM 1049 O TYR A 80 4.227 -6.870 4.434 1.00 0.00 O ATOM 1050 CB TYR A 80 2.909 -9.854 4.816 1.00 0.00 C ATOM 1051 CG TYR A 80 1.790 -9.063 5.456 1.00 0.00 C ATOM 1052 CD1 TYR A 80 2.056 -7.904 6.175 1.00 0.00 C ATOM 1053 CD2 TYR A 80 0.469 -9.477 5.343 1.00 0.00 C ATOM 1054 CE1 TYR A 80 1.036 -7.179 6.763 1.00 0.00 C ATOM 1055 CE2 TYR A 80 -0.557 -8.758 5.929 1.00 0.00 C ATOM 1056 CZ TYR A 80 -0.268 -7.610 6.637 1.00 0.00 C ATOM 1057 OH TYR A 80 -1.286 -6.892 7.220 1.00 0.00 O ATOM 0 H TYR A 80 4.472 -10.956 3.256 1.00 0.00 H new ATOM 0 HA TYR A 80 2.912 -8.602 3.091 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.498 -10.769 4.391 1.00 0.00 H new ATOM 0 HB3 TYR A 80 3.619 -10.152 5.588 1.00 0.00 H new ATOM 0 HD1 TYR A 80 3.076 -7.564 6.276 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.239 -10.375 4.789 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.259 -6.280 7.318 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -1.579 -9.094 5.833 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.143 -7.330 7.036 1.00 0.00 H new ATOM 1067 N ASP A 81 5.772 -8.491 4.723 1.00 0.00 N ATOM 1068 CA ASP A 81 6.763 -7.597 5.299 1.00 0.00 C ATOM 1069 C ASP A 81 7.295 -6.648 4.235 1.00 0.00 C ATOM 1070 O ASP A 81 7.547 -5.476 4.509 1.00 0.00 O ATOM 1071 CB ASP A 81 7.913 -8.395 5.917 1.00 0.00 C ATOM 1072 CG ASP A 81 8.778 -7.551 6.831 1.00 0.00 C ATOM 1073 OD1 ASP A 81 8.305 -6.488 7.281 1.00 0.00 O ATOM 1074 OD2 ASP A 81 9.932 -7.952 7.095 1.00 0.00 O ATOM 0 H ASP A 81 6.072 -9.463 4.647 1.00 0.00 H new ATOM 0 HA ASP A 81 6.286 -7.013 6.086 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.507 -9.235 6.480 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.530 -8.813 5.122 1.00 0.00 H new ATOM 1079 N ALA A 82 7.447 -7.155 3.009 1.00 0.00 N ATOM 1080 CA ALA A 82 7.930 -6.328 1.911 1.00 0.00 C ATOM 1081 C ALA A 82 7.011 -5.131 1.729 1.00 0.00 C ATOM 1082 O ALA A 82 7.462 -4.009 1.493 1.00 0.00 O ATOM 1083 CB ALA A 82 8.016 -7.141 0.628 1.00 0.00 C ATOM 0 H ALA A 82 7.244 -8.123 2.758 1.00 0.00 H new ATOM 0 HA ALA A 82 8.931 -5.970 2.149 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.379 -6.507 -0.181 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.703 -7.975 0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.028 -7.525 0.373 1.00 0.00 H new ATOM 1089 N LEU A 83 5.714 -5.381 1.864 1.00 0.00 N ATOM 1090 CA LEU A 83 4.715 -4.333 1.741 1.00 0.00 C ATOM 1091 C LEU A 83 4.728 -3.450 2.983 1.00 0.00 C ATOM 1092 O LEU A 83 4.435 -2.255 2.911 1.00 0.00 O ATOM 1093 CB LEU A 83 3.326 -4.941 1.542 1.00 0.00 C ATOM 1094 CG LEU A 83 3.091 -5.577 0.168 1.00 0.00 C ATOM 1095 CD1 LEU A 83 2.500 -6.972 0.317 1.00 0.00 C ATOM 1096 CD2 LEU A 83 2.182 -4.699 -0.680 1.00 0.00 C ATOM 0 H LEU A 83 5.331 -6.306 2.060 1.00 0.00 H new ATOM 0 HA LEU A 83 4.955 -3.723 0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.163 -5.698 2.309 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.579 -4.163 1.699 1.00 0.00 H new ATOM 0 HG LEU A 83 4.053 -5.664 -0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.340 -7.407 -0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.188 -7.600 0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.548 -6.909 0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.027 -5.167 -1.652 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.222 -4.578 -0.178 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.645 -3.722 -0.818 1.00 0.00 H new ATOM 1108 N VAL A 84 5.085 -4.041 4.123 1.00 0.00 N ATOM 1109 CA VAL A 84 5.150 -3.300 5.374 1.00 0.00 C ATOM 1110 C VAL A 84 6.321 -2.325 5.354 1.00 0.00 C ATOM 1111 O VAL A 84 6.230 -1.217 5.881 1.00 0.00 O ATOM 1112 CB VAL A 84 5.291 -4.243 6.587 1.00 0.00 C ATOM 1113 CG1 VAL A 84 5.345 -3.449 7.885 1.00 0.00 C ATOM 1114 CG2 VAL A 84 4.148 -5.249 6.618 1.00 0.00 C ATOM 0 H VAL A 84 5.332 -5.027 4.202 1.00 0.00 H new ATOM 0 HA VAL A 84 4.215 -2.749 5.473 1.00 0.00 H new ATOM 0 HB VAL A 84 6.228 -4.791 6.486 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.444 -4.134 8.727 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.201 -2.774 7.863 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.429 -2.869 7.995 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.264 -5.906 7.480 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.198 -4.719 6.691 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.162 -5.844 5.705 1.00 0.00 H new ATOM 1124 N LYS A 85 7.420 -2.743 4.730 1.00 0.00 N ATOM 1125 CA LYS A 85 8.604 -1.901 4.631 1.00 0.00 C ATOM 1126 C LYS A 85 8.331 -0.715 3.715 1.00 0.00 C ATOM 1127 O LYS A 85 8.591 0.435 4.073 1.00 0.00 O ATOM 1128 CB LYS A 85 9.793 -2.711 4.104 1.00 0.00 C ATOM 1129 CG LYS A 85 10.911 -2.881 5.121 1.00 0.00 C ATOM 1130 CD LYS A 85 10.628 -4.033 6.075 1.00 0.00 C ATOM 1131 CE LYS A 85 11.747 -5.061 6.057 1.00 0.00 C ATOM 1132 NZ LYS A 85 13.052 -4.470 6.460 1.00 0.00 N ATOM 0 H LYS A 85 7.513 -3.657 4.287 1.00 0.00 H new ATOM 0 HA LYS A 85 8.849 -1.529 5.626 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.443 -3.695 3.793 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.192 -2.220 3.216 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.852 -3.060 4.602 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.031 -1.958 5.689 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.504 -3.647 7.087 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.688 -4.512 5.800 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.497 -5.881 6.730 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.834 -5.485 5.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.674 -5.219 6.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.499 -4.020 5.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.896 -3.757 7.201 1.00 0.00 H new ATOM 1146 N SER A 86 7.788 -1.004 2.539 1.00 0.00 N ATOM 1147 CA SER A 86 7.459 0.039 1.577 1.00 0.00 C ATOM 1148 C SER A 86 6.383 0.953 2.148 1.00 0.00 C ATOM 1149 O SER A 86 6.467 2.178 2.044 1.00 0.00 O ATOM 1150 CB SER A 86 6.981 -0.577 0.261 1.00 0.00 C ATOM 1151 OG SER A 86 8.044 -1.228 -0.412 1.00 0.00 O ATOM 0 H SER A 86 7.567 -1.950 2.229 1.00 0.00 H new ATOM 0 HA SER A 86 8.356 0.626 1.379 1.00 0.00 H new ATOM 0 HB2 SER A 86 6.181 -1.290 0.459 1.00 0.00 H new ATOM 0 HB3 SER A 86 6.564 0.201 -0.378 1.00 0.00 H new ATOM 0 HG SER A 86 7.713 -1.615 -1.249 1.00 0.00 H new ATOM 1157 N SER A 87 5.378 0.342 2.766 1.00 0.00 N ATOM 1158 CA SER A 87 4.287 1.092 3.372 1.00 0.00 C ATOM 1159 C SER A 87 4.818 2.007 4.467 1.00 0.00 C ATOM 1160 O SER A 87 4.521 3.200 4.491 1.00 0.00 O ATOM 1161 CB SER A 87 3.241 0.136 3.949 1.00 0.00 C ATOM 1162 OG SER A 87 2.581 -0.580 2.919 1.00 0.00 O ATOM 0 H SER A 87 5.297 -0.670 2.860 1.00 0.00 H new ATOM 0 HA SER A 87 3.817 1.703 2.601 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.721 -0.564 4.633 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.511 0.699 4.530 1.00 0.00 H new ATOM 0 HG SER A 87 3.135 -1.339 2.641 1.00 0.00 H new ATOM 1168 N GLU A 88 5.619 1.441 5.369 1.00 0.00 N ATOM 1169 CA GLU A 88 6.203 2.208 6.463 1.00 0.00 C ATOM 1170 C GLU A 88 6.870 3.473 5.936 1.00 0.00 C ATOM 1171 O GLU A 88 6.714 4.555 6.503 1.00 0.00 O ATOM 1172 CB GLU A 88 7.221 1.357 7.227 1.00 0.00 C ATOM 1173 CG GLU A 88 6.724 0.885 8.583 1.00 0.00 C ATOM 1174 CD GLU A 88 7.832 0.305 9.441 1.00 0.00 C ATOM 1175 OE1 GLU A 88 8.201 -0.867 9.222 1.00 0.00 O ATOM 1176 OE2 GLU A 88 8.331 1.025 10.332 1.00 0.00 O ATOM 0 H GLU A 88 5.877 0.454 5.362 1.00 0.00 H new ATOM 0 HA GLU A 88 5.402 2.495 7.144 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.482 0.488 6.623 1.00 0.00 H new ATOM 0 HB3 GLU A 88 8.134 1.935 7.365 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.263 1.722 9.108 1.00 0.00 H new ATOM 0 HG3 GLU A 88 5.949 0.132 8.440 1.00 0.00 H new ATOM 1183 N ASP A 89 7.605 3.328 4.841 1.00 0.00 N ATOM 1184 CA ASP A 89 8.288 4.459 4.227 1.00 0.00 C ATOM 1185 C ASP A 89 7.277 5.495 3.745 1.00 0.00 C ATOM 1186 O ASP A 89 7.515 6.700 3.840 1.00 0.00 O ATOM 1187 CB ASP A 89 9.156 3.985 3.057 1.00 0.00 C ATOM 1188 CG ASP A 89 10.630 4.257 3.282 1.00 0.00 C ATOM 1189 OD1 ASP A 89 11.202 3.680 4.230 1.00 0.00 O ATOM 1190 OD2 ASP A 89 11.213 5.049 2.511 1.00 0.00 O ATOM 0 H ASP A 89 7.743 2.439 4.360 1.00 0.00 H new ATOM 0 HA ASP A 89 8.931 4.922 4.976 1.00 0.00 H new ATOM 0 HB2 ASP A 89 9.006 2.916 2.907 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.833 4.484 2.143 1.00 0.00 H new ATOM 1195 N LEU A 90 6.148 5.017 3.233 1.00 0.00 N ATOM 1196 CA LEU A 90 5.097 5.901 2.739 1.00 0.00 C ATOM 1197 C LEU A 90 4.534 6.761 3.866 1.00 0.00 C ATOM 1198 O LEU A 90 4.332 7.963 3.700 1.00 0.00 O ATOM 1199 CB LEU A 90 3.977 5.084 2.086 1.00 0.00 C ATOM 1200 CG LEU A 90 2.725 5.877 1.706 1.00 0.00 C ATOM 1201 CD1 LEU A 90 2.002 5.209 0.547 1.00 0.00 C ATOM 1202 CD2 LEU A 90 1.800 6.016 2.906 1.00 0.00 C ATOM 0 H LEU A 90 5.937 4.023 3.149 1.00 0.00 H new ATOM 0 HA LEU A 90 5.534 6.562 1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.372 4.609 1.188 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.688 4.285 2.768 1.00 0.00 H new ATOM 0 HG LEU A 90 3.030 6.874 1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 90 1.114 5.787 0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.666 5.161 -0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.707 4.200 0.835 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.914 6.583 2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.501 5.026 3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 90 2.321 6.539 3.708 1.00 0.00 H new ATOM 1214 N LEU A 91 4.289 6.138 5.013 1.00 0.00 N ATOM 1215 CA LEU A 91 3.757 6.858 6.168 1.00 0.00 C ATOM 1216 C LEU A 91 4.747 7.920 6.617 1.00 0.00 C ATOM 1217 O LEU A 91 4.386 9.079 6.823 1.00 0.00 O ATOM 1218 CB LEU A 91 3.470 5.905 7.329 1.00 0.00 C ATOM 1219 CG LEU A 91 2.954 4.527 6.928 1.00 0.00 C ATOM 1220 CD1 LEU A 91 2.864 3.613 8.140 1.00 0.00 C ATOM 1221 CD2 LEU A 91 1.602 4.643 6.240 1.00 0.00 C ATOM 0 H LEU A 91 4.448 5.143 5.170 1.00 0.00 H new ATOM 0 HA LEU A 91 2.821 7.330 5.869 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.385 5.778 7.908 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.738 6.372 7.988 1.00 0.00 H new ATOM 0 HG LEU A 91 3.660 4.088 6.224 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.494 2.635 7.832 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.852 3.503 8.587 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.181 4.045 8.872 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.249 3.650 5.961 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.886 5.104 6.920 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.701 5.258 5.345 1.00 0.00 H new ATOM 1233 N SER A 92 6.001 7.510 6.756 1.00 0.00 N ATOM 1234 CA SER A 92 7.061 8.419 7.174 1.00 0.00 C ATOM 1235 C SER A 92 7.157 9.606 6.223 1.00 0.00 C ATOM 1236 O SER A 92 7.288 10.752 6.655 1.00 0.00 O ATOM 1237 CB SER A 92 8.401 7.684 7.228 1.00 0.00 C ATOM 1238 OG SER A 92 9.309 8.342 8.095 1.00 0.00 O ATOM 0 H SER A 92 6.310 6.553 6.585 1.00 0.00 H new ATOM 0 HA SER A 92 6.820 8.789 8.170 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.245 6.661 7.569 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.827 7.625 6.227 1.00 0.00 H new ATOM 0 HG SER A 92 10.157 7.852 8.114 1.00 0.00 H new ATOM 1244 N ALA A 93 7.081 9.324 4.927 1.00 0.00 N ATOM 1245 CA ALA A 93 7.153 10.370 3.915 1.00 0.00 C ATOM 1246 C ALA A 93 5.954 11.305 4.017 1.00 0.00 C ATOM 1247 O ALA A 93 6.102 12.528 3.987 1.00 0.00 O ATOM 1248 CB ALA A 93 7.228 9.755 2.526 1.00 0.00 C ATOM 0 H ALA A 93 6.970 8.381 4.554 1.00 0.00 H new ATOM 0 HA ALA A 93 8.057 10.954 4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.281 10.548 1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.116 9.128 2.453 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.340 9.148 2.348 1.00 0.00 H new ATOM 1254 N LEU A 94 4.768 10.722 4.143 1.00 0.00 N ATOM 1255 CA LEU A 94 3.541 11.500 4.254 1.00 0.00 C ATOM 1256 C LEU A 94 3.567 12.378 5.499 1.00 0.00 C ATOM 1257 O LEU A 94 3.217 13.556 5.449 1.00 0.00 O ATOM 1258 CB LEU A 94 2.325 10.572 4.293 1.00 0.00 C ATOM 1259 CG LEU A 94 1.078 11.107 3.585 1.00 0.00 C ATOM 1260 CD1 LEU A 94 1.220 10.966 2.078 1.00 0.00 C ATOM 1261 CD2 LEU A 94 -0.164 10.382 4.077 1.00 0.00 C ATOM 0 H LEU A 94 4.630 9.712 4.171 1.00 0.00 H new ATOM 0 HA LEU A 94 3.467 12.145 3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.600 9.619 3.841 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.074 10.370 5.334 1.00 0.00 H new ATOM 0 HG LEU A 94 0.973 12.166 3.821 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.324 11.351 1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 94 2.089 11.531 1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.349 9.914 1.821 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.042 10.774 3.564 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.069 9.316 3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -0.273 10.535 5.151 1.00 0.00 H new ATOM 1273 N GLN A 95 3.989 11.794 6.614 1.00 0.00 N ATOM 1274 CA GLN A 95 4.066 12.518 7.878 1.00 0.00 C ATOM 1275 C GLN A 95 4.929 13.768 7.734 1.00 0.00 C ATOM 1276 O GLN A 95 4.561 14.846 8.201 1.00 0.00 O ATOM 1277 CB GLN A 95 4.629 11.615 8.977 1.00 0.00 C ATOM 1278 CG GLN A 95 3.557 10.916 9.797 1.00 0.00 C ATOM 1279 CD GLN A 95 3.765 9.415 9.876 1.00 0.00 C ATOM 1280 OE1 GLN A 95 4.851 8.945 10.215 1.00 0.00 O ATOM 1281 NE2 GLN A 95 2.723 8.657 9.561 1.00 0.00 N ATOM 0 H GLN A 95 4.284 10.819 6.669 1.00 0.00 H new ATOM 0 HA GLN A 95 3.057 12.824 8.156 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.275 10.864 8.523 1.00 0.00 H new ATOM 0 HB3 GLN A 95 5.253 12.212 9.643 1.00 0.00 H new ATOM 0 HG2 GLN A 95 3.548 11.331 10.805 1.00 0.00 H new ATOM 0 HG3 GLN A 95 2.580 11.121 9.360 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.842 9.090 9.285 1.00 0.00 H new ATOM 0 HE22 GLN A 95 2.803 7.641 9.594 1.00 0.00 H new ATOM 1290 N LYS A 96 6.075 13.618 7.079 1.00 0.00 N ATOM 1291 CA LYS A 96 6.985 14.737 6.865 1.00 0.00 C ATOM 1292 C LYS A 96 6.285 15.857 6.107 1.00 0.00 C ATOM 1293 O LYS A 96 6.342 17.022 6.501 1.00 0.00 O ATOM 1294 CB LYS A 96 8.219 14.281 6.088 1.00 0.00 C ATOM 1295 CG LYS A 96 9.131 13.364 6.882 1.00 0.00 C ATOM 1296 CD LYS A 96 10.376 12.995 6.091 1.00 0.00 C ATOM 1297 CE LYS A 96 11.603 12.920 6.984 1.00 0.00 C ATOM 1298 NZ LYS A 96 12.377 11.669 6.759 1.00 0.00 N ATOM 0 H LYS A 96 6.396 12.733 6.687 1.00 0.00 H new ATOM 0 HA LYS A 96 7.298 15.112 7.840 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.898 13.766 5.183 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.784 15.158 5.773 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.421 13.854 7.812 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.590 12.458 7.154 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.224 12.034 5.599 1.00 0.00 H new ATOM 0 HD3 LYS A 96 10.541 13.733 5.306 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.243 13.782 6.795 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.296 12.974 8.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 13.206 11.656 7.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 11.775 10.846 6.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 12.692 11.629 5.769 1.00 0.00 H new ATOM 1312 N LYS A 97 5.624 15.489 5.014 1.00 0.00 N ATOM 1313 CA LYS A 97 4.907 16.455 4.188 1.00 0.00 C ATOM 1314 C LYS A 97 3.902 17.250 5.015 1.00 0.00 C ATOM 1315 O LYS A 97 3.736 18.455 4.817 1.00 0.00 O ATOM 1316 CB LYS A 97 4.186 15.738 3.044 1.00 0.00 C ATOM 1317 CG LYS A 97 5.126 15.011 2.096 1.00 0.00 C ATOM 1318 CD LYS A 97 4.486 14.794 0.734 1.00 0.00 C ATOM 1319 CE LYS A 97 3.958 13.376 0.584 1.00 0.00 C ATOM 1320 NZ LYS A 97 2.641 13.341 -0.112 1.00 0.00 N ATOM 0 H LYS A 97 5.570 14.527 4.679 1.00 0.00 H new ATOM 0 HA LYS A 97 5.637 17.151 3.775 1.00 0.00 H new ATOM 0 HB2 LYS A 97 3.479 15.021 3.463 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.604 16.466 2.479 1.00 0.00 H new ATOM 0 HG2 LYS A 97 6.044 15.587 1.980 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.405 14.049 2.525 1.00 0.00 H new ATOM 0 HD2 LYS A 97 3.670 15.503 0.598 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.217 14.995 -0.049 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.679 12.778 0.026 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.860 12.920 1.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.880 13.241 0.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.507 14.224 -0.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.616 12.533 -0.767 1.00 0.00 H new