USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 764 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 21 MET CE :methyl -154:sc= -7.65! (180deg=-10.6!) USER MOD Set 1.2: A 79 SER OG : rot 180:sc=-0.00701 USER MOD Set 1.3: A 83 HIS : no HD1:sc= -35.7! C(o=-43!,f=-55!) USER MOD Set 2.1: A 41 MET CE :methyl 134:sc= -4.59! (180deg=-1.23) USER MOD Set 2.2: A 46 THR OG1 : rot -79:sc= -3.45! USER MOD Set 3.1: A 28 MET CE :methyl -125:sc= -34.5! (180deg=-33.5!) USER MOD Set 3.2: A 80 MET CE :methyl 146:sc= -21.1! (180deg=-22.6!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -140:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.16) USER MOD Single : A 33 SER OG : rot -70:sc= 0.045 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN :FLIP amide:sc= -6.52! C(o=-7.1!,f=-6.5!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -51:sc= 0.0313 USER MOD Single : A 63 HIS :FLIP no HD1:sc= -17.9! C(o=-26!,f=-18!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -24:sc= -12! USER MOD Single : A 78 SER OG : rot -45:sc= -1.97! USER MOD Single : A 82 LYS NZ :NH3+ 149:sc= -4.98! (180deg=-6.53!) USER MOD Single : A 88 HIS : no HE2:sc= -12.4! C(o=-12!,f=-17!) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot -60:sc= 0.762! USER MOD Single : A 96 SER OG : rot 27:sc= 0.0284 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 99 CYS SG : rot -42:sc= 1.89 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 14 3.561 10.393 -4.591 1.00 0.00 N ATOM 28 CA PRO A 14 4.975 10.700 -4.556 1.00 0.00 C ATOM 29 C PRO A 14 5.778 9.446 -4.873 1.00 0.00 C ATOM 30 O PRO A 14 7.006 9.465 -4.831 1.00 0.00 O ATOM 31 CB PRO A 14 5.238 11.172 -3.128 1.00 0.00 C ATOM 32 CG PRO A 14 4.196 10.399 -2.319 1.00 0.00 C ATOM 33 CD PRO A 14 2.994 10.373 -3.260 1.00 0.00 C ATOM 0 HA PRO A 14 5.263 11.456 -5.287 1.00 0.00 H new ATOM 0 HB2 PRO A 14 6.253 10.941 -2.806 1.00 0.00 H new ATOM 0 HB3 PRO A 14 5.110 12.250 -3.028 1.00 0.00 H new ATOM 0 HG2 PRO A 14 4.539 9.394 -2.072 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.963 10.897 -1.378 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.388 9.481 -3.102 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.344 11.233 -3.095 1.00 0.00 H new ATOM 41 N LEU A 15 5.080 8.352 -5.189 1.00 0.00 N ATOM 42 CA LEU A 15 5.728 7.096 -5.508 1.00 0.00 C ATOM 43 C LEU A 15 5.450 6.726 -6.958 1.00 0.00 C ATOM 44 O LEU A 15 4.901 7.527 -7.712 1.00 0.00 O ATOM 45 CB LEU A 15 5.222 6.008 -4.566 1.00 0.00 C ATOM 46 CG LEU A 15 4.518 6.654 -3.376 1.00 0.00 C ATOM 47 CD1 LEU A 15 3.500 5.676 -2.795 1.00 0.00 C ATOM 48 CD2 LEU A 15 5.548 7.011 -2.308 1.00 0.00 C ATOM 0 H LEU A 15 4.061 8.320 -5.228 1.00 0.00 H new ATOM 0 HA LEU A 15 6.806 7.196 -5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.535 5.346 -5.093 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.054 5.395 -4.221 1.00 0.00 H new ATOM 0 HG LEU A 15 4.006 7.559 -3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.997 6.137 -1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.764 5.421 -3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.011 4.771 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.046 7.472 -1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.060 6.107 -1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.275 7.709 -2.723 1.00 0.00 H new ATOM 60 N THR A 16 5.831 5.507 -7.349 1.00 0.00 N ATOM 61 CA THR A 16 5.618 5.042 -8.704 1.00 0.00 C ATOM 62 C THR A 16 5.437 3.530 -8.711 1.00 0.00 C ATOM 63 O THR A 16 4.489 3.019 -9.302 1.00 0.00 O ATOM 64 CB THR A 16 6.806 5.447 -9.573 1.00 0.00 C ATOM 65 OG1 THR A 16 7.421 6.590 -9.022 1.00 0.00 O ATOM 66 CG2 THR A 16 6.320 5.761 -10.985 1.00 0.00 C ATOM 0 H THR A 16 6.289 4.830 -6.738 1.00 0.00 H new ATOM 0 HA THR A 16 4.714 5.498 -9.109 1.00 0.00 H new ATOM 0 HB THR A 16 7.525 4.629 -9.611 1.00 0.00 H new ATOM 0 HG1 THR A 16 8.185 6.850 -9.578 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.168 6.050 -11.606 1.00 0.00 H new ATOM 0 HG22 THR A 16 5.843 4.878 -11.410 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.601 6.579 -10.949 1.00 0.00 H new ATOM 74 N VAL A 17 6.351 2.816 -8.051 1.00 0.00 N ATOM 75 CA VAL A 17 6.289 1.370 -7.983 1.00 0.00 C ATOM 76 C VAL A 17 7.602 0.824 -7.440 1.00 0.00 C ATOM 77 O VAL A 17 7.617 -0.204 -6.767 1.00 0.00 O ATOM 78 CB VAL A 17 6.003 0.808 -9.373 1.00 0.00 C ATOM 79 CG1 VAL A 17 7.026 -0.274 -9.705 1.00 0.00 C ATOM 80 CG2 VAL A 17 4.600 0.208 -9.399 1.00 0.00 C ATOM 0 H VAL A 17 7.143 3.226 -7.556 1.00 0.00 H new ATOM 0 HA VAL A 17 5.486 1.067 -7.311 1.00 0.00 H new ATOM 0 HB VAL A 17 6.070 1.608 -10.110 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.822 -0.675 -10.698 1.00 0.00 H new ATOM 0 HG12 VAL A 17 8.028 0.155 -9.686 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.960 -1.075 -8.969 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.394 -0.194 -10.391 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.533 -0.593 -8.662 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.869 0.981 -9.162 1.00 0.00 H new ATOM 90 N LYS A 18 8.706 1.515 -7.734 1.00 0.00 N ATOM 91 CA LYS A 18 10.014 1.095 -7.274 1.00 0.00 C ATOM 92 C LYS A 18 10.352 1.794 -5.964 1.00 0.00 C ATOM 93 O LYS A 18 11.339 1.458 -5.315 1.00 0.00 O ATOM 94 CB LYS A 18 11.056 1.416 -8.342 1.00 0.00 C ATOM 95 CG LYS A 18 10.648 0.766 -9.661 1.00 0.00 C ATOM 96 CD LYS A 18 11.792 0.886 -10.663 1.00 0.00 C ATOM 97 CE LYS A 18 11.229 0.871 -12.082 1.00 0.00 C ATOM 98 NZ LYS A 18 12.308 0.950 -13.078 1.00 0.00 N ATOM 0 H LYS A 18 8.711 2.369 -8.291 1.00 0.00 H new ATOM 0 HA LYS A 18 10.012 0.019 -7.098 1.00 0.00 H new ATOM 0 HB2 LYS A 18 11.143 2.495 -8.468 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.035 1.051 -8.032 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.400 -0.283 -9.500 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.753 1.248 -10.055 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.346 1.809 -10.490 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.494 0.063 -10.530 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.651 -0.040 -12.238 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.545 1.709 -12.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.899 0.938 -14.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 12.843 1.831 -12.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.946 0.137 -12.964 1.00 0.00 H new ATOM 112 N SER A 19 9.528 2.771 -5.578 1.00 0.00 N ATOM 113 CA SER A 19 9.742 3.510 -4.351 1.00 0.00 C ATOM 114 C SER A 19 10.160 2.557 -3.240 1.00 0.00 C ATOM 115 O SER A 19 9.605 1.468 -3.111 1.00 0.00 O ATOM 116 CB SER A 19 8.463 4.252 -3.974 1.00 0.00 C ATOM 117 OG SER A 19 8.579 4.752 -2.661 1.00 0.00 O ATOM 0 H SER A 19 8.706 3.063 -6.106 1.00 0.00 H new ATOM 0 HA SER A 19 10.539 4.239 -4.496 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.286 5.070 -4.672 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.607 3.581 -4.045 1.00 0.00 H new ATOM 0 HG SER A 19 7.726 4.641 -2.192 1.00 0.00 H new ATOM 123 N ASP A 20 11.142 2.970 -2.435 1.00 0.00 N ATOM 124 CA ASP A 20 11.628 2.153 -1.341 1.00 0.00 C ATOM 125 C ASP A 20 10.460 1.452 -0.663 1.00 0.00 C ATOM 126 O ASP A 20 9.534 2.105 -0.187 1.00 0.00 O ATOM 127 CB ASP A 20 12.382 3.031 -0.348 1.00 0.00 C ATOM 128 CG ASP A 20 13.812 2.542 -0.166 1.00 0.00 C ATOM 129 OD1 ASP A 20 14.711 3.188 -0.747 1.00 0.00 O ATOM 130 OD2 ASP A 20 13.980 1.532 0.552 1.00 0.00 O ATOM 0 H ASP A 20 11.612 3.870 -2.528 1.00 0.00 H new ATOM 0 HA ASP A 20 12.309 1.393 -1.724 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.388 4.062 -0.700 1.00 0.00 H new ATOM 0 HB3 ASP A 20 11.867 3.026 0.612 1.00 0.00 H new ATOM 136 N MET A 21 10.504 0.118 -0.620 1.00 0.00 N ATOM 137 CA MET A 21 9.448 -0.660 -0.003 1.00 0.00 C ATOM 138 C MET A 21 9.073 -0.050 1.340 1.00 0.00 C ATOM 139 O MET A 21 7.896 0.010 1.691 1.00 0.00 O ATOM 140 CB MET A 21 9.916 -2.102 0.171 1.00 0.00 C ATOM 141 CG MET A 21 11.126 -2.136 1.101 1.00 0.00 C ATOM 142 SD MET A 21 12.180 -3.591 0.883 1.00 0.00 S ATOM 143 CE MET A 21 10.898 -4.835 0.586 1.00 0.00 C ATOM 0 H MET A 21 11.265 -0.439 -1.008 1.00 0.00 H new ATOM 0 HA MET A 21 8.565 -0.652 -0.642 1.00 0.00 H new ATOM 0 HB2 MET A 21 9.110 -2.710 0.583 1.00 0.00 H new ATOM 0 HB3 MET A 21 10.176 -2.531 -0.797 1.00 0.00 H new ATOM 0 HG2 MET A 21 11.723 -1.239 0.936 1.00 0.00 H new ATOM 0 HG3 MET A 21 10.779 -2.103 2.134 1.00 0.00 H new ATOM 0 HE1 MET A 21 11.269 -5.817 0.880 1.00 0.00 H new ATOM 0 HE2 MET A 21 10.012 -4.591 1.172 1.00 0.00 H new ATOM 0 HE3 MET A 21 10.641 -4.847 -0.473 1.00 0.00 H new ATOM 153 N SER A 22 10.078 0.404 2.092 1.00 0.00 N ATOM 154 CA SER A 22 9.848 1.007 3.390 1.00 0.00 C ATOM 155 C SER A 22 9.127 2.337 3.221 1.00 0.00 C ATOM 156 O SER A 22 8.349 2.737 4.084 1.00 0.00 O ATOM 157 CB SER A 22 11.184 1.202 4.102 1.00 0.00 C ATOM 158 OG SER A 22 11.950 2.161 3.408 1.00 0.00 O ATOM 0 H SER A 22 11.059 0.361 1.816 1.00 0.00 H new ATOM 0 HA SER A 22 9.221 0.352 3.994 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.017 1.528 5.129 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.724 0.256 4.151 1.00 0.00 H new ATOM 0 HG SER A 22 12.807 2.288 3.865 1.00 0.00 H new ATOM 164 N ALA A 23 9.387 3.020 2.104 1.00 0.00 N ATOM 165 CA ALA A 23 8.763 4.299 1.828 1.00 0.00 C ATOM 166 C ALA A 23 7.299 4.091 1.469 1.00 0.00 C ATOM 167 O ALA A 23 6.456 4.930 1.781 1.00 0.00 O ATOM 168 CB ALA A 23 9.507 4.991 0.689 1.00 0.00 C ATOM 0 H ALA A 23 10.029 2.700 1.379 1.00 0.00 H new ATOM 0 HA ALA A 23 8.812 4.932 2.714 1.00 0.00 H new ATOM 0 HB1 ALA A 23 9.039 5.953 0.480 1.00 0.00 H new ATOM 0 HB2 ALA A 23 10.547 5.148 0.976 1.00 0.00 H new ATOM 0 HB3 ALA A 23 9.467 4.367 -0.204 1.00 0.00 H new ATOM 174 N ILE A 24 6.997 2.969 0.812 1.00 0.00 N ATOM 175 CA ILE A 24 5.639 2.655 0.414 1.00 0.00 C ATOM 176 C ILE A 24 4.796 2.366 1.648 1.00 0.00 C ATOM 177 O ILE A 24 3.784 3.025 1.879 1.00 0.00 O ATOM 178 CB ILE A 24 5.650 1.455 -0.528 1.00 0.00 C ATOM 179 CG1 ILE A 24 6.238 1.869 -1.874 1.00 0.00 C ATOM 180 CG2 ILE A 24 4.223 0.953 -0.729 1.00 0.00 C ATOM 181 CD1 ILE A 24 5.506 3.104 -2.390 1.00 0.00 C ATOM 0 H ILE A 24 7.685 2.264 0.547 1.00 0.00 H new ATOM 0 HA ILE A 24 5.202 3.505 -0.110 1.00 0.00 H new ATOM 0 HB ILE A 24 6.258 0.660 -0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.302 2.081 -1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.145 1.052 -2.590 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.230 0.096 -1.402 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.803 0.656 0.232 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.615 1.748 -1.161 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.925 3.400 -3.351 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.447 2.875 -2.511 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.622 3.920 -1.677 1.00 0.00 H new ATOM 193 N VAL A 25 5.215 1.378 2.442 1.00 0.00 N ATOM 194 CA VAL A 25 4.498 1.007 3.646 1.00 0.00 C ATOM 195 C VAL A 25 4.364 2.218 4.558 1.00 0.00 C ATOM 196 O VAL A 25 3.305 2.447 5.138 1.00 0.00 O ATOM 197 CB VAL A 25 5.241 -0.123 4.352 1.00 0.00 C ATOM 198 CG1 VAL A 25 6.207 0.465 5.377 1.00 0.00 C ATOM 199 CG2 VAL A 25 4.236 -1.027 5.060 1.00 0.00 C ATOM 0 H VAL A 25 6.052 0.823 2.264 1.00 0.00 H new ATOM 0 HA VAL A 25 3.498 0.659 3.387 1.00 0.00 H new ATOM 0 HB VAL A 25 5.800 -0.705 3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.738 -0.342 5.882 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.925 1.111 4.872 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.649 1.047 6.111 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.766 -1.835 5.565 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.677 -0.446 5.793 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.546 -1.447 4.328 1.00 0.00 H new ATOM 209 N ARG A 26 5.443 2.994 4.685 1.00 0.00 N ATOM 210 CA ARG A 26 5.442 4.175 5.525 1.00 0.00 C ATOM 211 C ARG A 26 4.329 5.117 5.088 1.00 0.00 C ATOM 212 O ARG A 26 3.568 5.609 5.918 1.00 0.00 O ATOM 213 CB ARG A 26 6.800 4.863 5.435 1.00 0.00 C ATOM 214 CG ARG A 26 6.657 6.326 5.847 1.00 0.00 C ATOM 215 CD ARG A 26 6.440 7.186 4.606 1.00 0.00 C ATOM 216 NE ARG A 26 6.900 8.557 4.829 1.00 0.00 N ATOM 217 CZ ARG A 26 8.197 8.889 4.869 1.00 0.00 C ATOM 218 NH1 ARG A 26 9.136 7.948 4.699 1.00 0.00 N ATOM 219 NH2 ARG A 26 8.557 10.163 5.078 1.00 0.00 N ATOM 0 H ARG A 26 6.329 2.817 4.211 1.00 0.00 H new ATOM 0 HA ARG A 26 5.263 3.889 6.562 1.00 0.00 H new ATOM 0 HB2 ARG A 26 7.518 4.360 6.083 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.187 4.796 4.418 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.818 6.441 6.533 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.551 6.654 6.378 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.975 6.752 3.761 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.382 7.192 4.344 1.00 0.00 H new ATOM 0 HE ARG A 26 6.204 9.291 4.959 1.00 0.00 H new ATOM 0 HH11 ARG A 26 8.863 6.978 4.539 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.124 8.202 4.730 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.843 10.880 5.207 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.545 10.415 5.108 1.00 0.00 H new ATOM 233 N VAL A 27 4.237 5.368 3.780 1.00 0.00 N ATOM 234 CA VAL A 27 3.221 6.248 3.240 1.00 0.00 C ATOM 235 C VAL A 27 1.842 5.762 3.662 1.00 0.00 C ATOM 236 O VAL A 27 1.143 6.444 4.409 1.00 0.00 O ATOM 237 CB VAL A 27 3.338 6.286 1.719 1.00 0.00 C ATOM 238 CG1 VAL A 27 1.968 6.571 1.109 1.00 0.00 C ATOM 239 CG2 VAL A 27 4.314 7.387 1.312 1.00 0.00 C ATOM 0 H VAL A 27 4.861 4.968 3.080 1.00 0.00 H new ATOM 0 HA VAL A 27 3.364 7.257 3.628 1.00 0.00 H new ATOM 0 HB VAL A 27 3.703 5.324 1.359 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.052 6.598 0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.270 5.786 1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.603 7.533 1.469 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.398 7.415 0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.949 8.349 1.673 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.293 7.185 1.747 1.00 0.00 H new ATOM 249 N MET A 28 1.450 4.579 3.183 1.00 0.00 N ATOM 250 CA MET A 28 0.158 4.013 3.513 1.00 0.00 C ATOM 251 C MET A 28 -0.143 4.234 4.989 1.00 0.00 C ATOM 252 O MET A 28 -1.272 4.557 5.353 1.00 0.00 O ATOM 253 CB MET A 28 0.156 2.523 3.180 1.00 0.00 C ATOM 254 CG MET A 28 0.605 2.325 1.735 1.00 0.00 C ATOM 255 SD MET A 28 -0.118 0.872 0.934 1.00 0.00 S ATOM 256 CE MET A 28 0.557 -0.418 2.010 1.00 0.00 C ATOM 0 H MET A 28 2.017 4.000 2.564 1.00 0.00 H new ATOM 0 HA MET A 28 -0.618 4.506 2.927 1.00 0.00 H new ATOM 0 HB2 MET A 28 0.823 1.987 3.856 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.842 2.109 3.322 1.00 0.00 H new ATOM 0 HG2 MET A 28 0.344 3.213 1.159 1.00 0.00 H new ATOM 0 HG3 MET A 28 1.691 2.238 1.711 1.00 0.00 H new ATOM 0 HE1 MET A 28 1.094 -1.150 1.407 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.241 0.030 2.731 1.00 0.00 H new ATOM 0 HE3 MET A 28 -0.257 -0.912 2.541 1.00 0.00 H new ATOM 266 N GLN A 29 0.872 4.060 5.839 1.00 0.00 N ATOM 267 CA GLN A 29 0.711 4.241 7.267 1.00 0.00 C ATOM 268 C GLN A 29 0.262 5.666 7.561 1.00 0.00 C ATOM 269 O GLN A 29 -0.688 5.877 8.311 1.00 0.00 O ATOM 270 CB GLN A 29 2.031 3.935 7.969 1.00 0.00 C ATOM 271 CG GLN A 29 2.062 2.465 8.378 1.00 0.00 C ATOM 272 CD GLN A 29 3.425 2.086 8.939 1.00 0.00 C ATOM 273 OE1 GLN A 29 4.018 1.096 8.517 1.00 0.00 O ATOM 274 NE2 GLN A 29 3.920 2.877 9.893 1.00 0.00 N ATOM 0 H GLN A 29 1.814 3.793 5.553 1.00 0.00 H new ATOM 0 HA GLN A 29 -0.052 3.558 7.640 1.00 0.00 H new ATOM 0 HB2 GLN A 29 2.867 4.157 7.306 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.144 4.570 8.848 1.00 0.00 H new ATOM 0 HG2 GLN A 29 1.291 2.275 9.125 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.832 1.839 7.516 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.389 3.688 10.210 1.00 0.00 H new ATOM 0 HE22 GLN A 29 4.830 2.671 10.305 1.00 0.00 H new ATOM 283 N LEU A 30 0.948 6.644 6.965 1.00 0.00 N ATOM 284 CA LEU A 30 0.618 8.041 7.164 1.00 0.00 C ATOM 285 C LEU A 30 -0.893 8.208 7.247 1.00 0.00 C ATOM 286 O LEU A 30 -1.632 7.571 6.499 1.00 0.00 O ATOM 287 CB LEU A 30 1.191 8.867 6.016 1.00 0.00 C ATOM 288 CG LEU A 30 2.715 8.826 6.072 1.00 0.00 C ATOM 289 CD1 LEU A 30 3.289 9.713 4.970 1.00 0.00 C ATOM 290 CD2 LEU A 30 3.188 9.333 7.431 1.00 0.00 C ATOM 0 H LEU A 30 1.738 6.484 6.339 1.00 0.00 H new ATOM 0 HA LEU A 30 1.054 8.392 8.099 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.841 8.475 5.061 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.841 9.897 6.085 1.00 0.00 H new ATOM 0 HG LEU A 30 3.056 7.801 5.928 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.378 9.684 5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.952 9.351 3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.948 10.738 5.114 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.277 9.304 7.471 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.847 10.358 7.576 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.779 8.700 8.218 1.00 0.00 H new ATOM 302 N PRO A 31 -1.350 9.067 8.160 1.00 0.00 N ATOM 303 CA PRO A 31 -2.752 9.355 8.379 1.00 0.00 C ATOM 304 C PRO A 31 -3.289 10.187 7.224 1.00 0.00 C ATOM 305 O PRO A 31 -4.463 10.552 7.212 1.00 0.00 O ATOM 306 CB PRO A 31 -2.789 10.145 9.686 1.00 0.00 C ATOM 307 CG PRO A 31 -1.442 10.865 9.685 1.00 0.00 C ATOM 308 CD PRO A 31 -0.510 9.832 9.055 1.00 0.00 C ATOM 0 HA PRO A 31 -3.366 8.456 8.436 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -3.623 10.847 9.711 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.897 9.491 10.551 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.476 11.787 9.105 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.126 11.134 10.693 1.00 0.00 H new ATOM 0 HD2 PRO A 31 0.306 10.313 8.516 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.058 9.194 9.814 1.00 0.00 H new ATOM 316 N ASP A 32 -2.426 10.488 6.250 1.00 0.00 N ATOM 317 CA ASP A 32 -2.818 11.276 5.099 1.00 0.00 C ATOM 318 C ASP A 32 -2.148 10.726 3.848 1.00 0.00 C ATOM 319 O ASP A 32 -1.601 11.485 3.050 1.00 0.00 O ATOM 320 CB ASP A 32 -2.428 12.734 5.325 1.00 0.00 C ATOM 321 CG ASP A 32 -3.500 13.672 4.792 1.00 0.00 C ATOM 322 OD1 ASP A 32 -4.668 13.230 4.741 1.00 0.00 O ATOM 323 OD2 ASP A 32 -3.132 14.815 4.444 1.00 0.00 O ATOM 0 H ASP A 32 -1.450 10.192 6.244 1.00 0.00 H new ATOM 0 HA ASP A 32 -3.898 11.220 4.964 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.279 12.914 6.390 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.479 12.942 4.831 1.00 0.00 H new ATOM 329 N SER A 33 -2.192 9.403 3.677 1.00 0.00 N ATOM 330 CA SER A 33 -1.592 8.762 2.524 1.00 0.00 C ATOM 331 C SER A 33 -2.677 8.339 1.544 1.00 0.00 C ATOM 332 O SER A 33 -2.576 8.607 0.349 1.00 0.00 O ATOM 333 CB SER A 33 -0.777 7.555 2.982 1.00 0.00 C ATOM 334 OG SER A 33 -1.323 7.046 4.178 1.00 0.00 O ATOM 0 H SER A 33 -2.640 8.760 4.330 1.00 0.00 H new ATOM 0 HA SER A 33 -0.928 9.463 2.018 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.783 6.785 2.211 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.263 7.843 3.138 1.00 0.00 H new ATOM 0 HG SER A 33 -1.153 7.676 4.909 1.00 0.00 H new ATOM 340 N GLY A 34 -3.719 7.677 2.052 1.00 0.00 N ATOM 341 CA GLY A 34 -4.814 7.225 1.217 1.00 0.00 C ATOM 342 C GLY A 34 -5.391 5.926 1.763 1.00 0.00 C ATOM 343 O GLY A 34 -6.607 5.744 1.783 1.00 0.00 O ATOM 0 H GLY A 34 -3.820 7.446 3.040 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.591 7.989 1.179 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.464 7.075 0.196 1.00 0.00 H new ATOM 347 N LEU A 35 -4.515 5.021 2.205 1.00 0.00 N ATOM 348 CA LEU A 35 -4.939 3.746 2.748 1.00 0.00 C ATOM 349 C LEU A 35 -5.274 3.898 4.225 1.00 0.00 C ATOM 350 O LEU A 35 -6.370 3.547 4.655 1.00 0.00 O ATOM 351 CB LEU A 35 -3.833 2.715 2.547 1.00 0.00 C ATOM 352 CG LEU A 35 -4.261 1.384 3.159 1.00 0.00 C ATOM 353 CD1 LEU A 35 -5.757 1.182 2.941 1.00 0.00 C ATOM 354 CD2 LEU A 35 -3.491 0.247 2.494 1.00 0.00 C ATOM 0 H LEU A 35 -3.504 5.157 2.194 1.00 0.00 H new ATOM 0 HA LEU A 35 -5.834 3.405 2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.627 2.589 1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.910 3.061 3.012 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.047 1.390 4.228 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.063 0.232 3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.307 1.994 3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.971 1.176 1.872 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.797 -0.704 2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.704 0.240 1.425 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.422 0.391 2.650 1.00 0.00 H new ATOM 366 N GLU A 36 -4.324 4.424 5.003 1.00 0.00 N ATOM 367 CA GLU A 36 -4.525 4.619 6.424 1.00 0.00 C ATOM 368 C GLU A 36 -4.606 3.272 7.128 1.00 0.00 C ATOM 369 O GLU A 36 -5.610 2.571 7.020 1.00 0.00 O ATOM 370 CB GLU A 36 -5.802 5.424 6.650 1.00 0.00 C ATOM 371 CG GLU A 36 -5.447 6.792 7.224 1.00 0.00 C ATOM 372 CD GLU A 36 -5.903 7.907 6.294 1.00 0.00 C ATOM 373 OE1 GLU A 36 -5.068 8.334 5.468 1.00 0.00 O ATOM 374 OE2 GLU A 36 -7.079 8.311 6.427 1.00 0.00 O ATOM 0 H GLU A 36 -3.409 4.720 4.663 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.682 5.171 6.840 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.342 5.541 5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.464 4.892 7.333 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.915 6.914 8.201 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.370 6.858 7.377 1.00 0.00 H new ATOM 382 N ILE A 37 -3.543 2.910 7.850 1.00 0.00 N ATOM 383 CA ILE A 37 -3.496 1.653 8.569 1.00 0.00 C ATOM 384 C ILE A 37 -3.726 1.900 10.054 1.00 0.00 C ATOM 385 O ILE A 37 -2.843 2.404 10.745 1.00 0.00 O ATOM 386 CB ILE A 37 -2.145 0.984 8.335 1.00 0.00 C ATOM 387 CG1 ILE A 37 -1.686 1.250 6.904 1.00 0.00 C ATOM 388 CG2 ILE A 37 -2.278 -0.521 8.555 1.00 0.00 C ATOM 389 CD1 ILE A 37 -2.511 0.403 5.939 1.00 0.00 C ATOM 0 H ILE A 37 -2.703 3.480 7.947 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.282 0.991 8.205 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.413 1.390 9.033 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.800 2.307 6.665 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.627 1.012 6.800 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.313 -1.000 8.388 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.606 -0.712 9.577 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.010 -0.927 7.857 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.183 0.593 4.917 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.375 -0.653 6.174 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.565 0.663 6.036 1.00 0.00 H new ATOM 401 N ARG A 38 -4.916 1.544 10.542 1.00 0.00 N ATOM 402 CA ARG A 38 -5.256 1.729 11.939 1.00 0.00 C ATOM 403 C ARG A 38 -6.712 1.350 12.170 1.00 0.00 C ATOM 404 O ARG A 38 -7.061 0.836 13.230 1.00 0.00 O ATOM 405 CB ARG A 38 -5.007 3.182 12.334 1.00 0.00 C ATOM 406 CG ARG A 38 -3.772 3.261 13.227 1.00 0.00 C ATOM 407 CD ARG A 38 -2.863 4.386 12.741 1.00 0.00 C ATOM 408 NE ARG A 38 -1.902 4.769 13.775 1.00 0.00 N ATOM 409 CZ ARG A 38 -2.228 5.547 14.817 1.00 0.00 C ATOM 410 NH1 ARG A 38 -3.481 6.006 14.943 1.00 0.00 N ATOM 411 NH2 ARG A 38 -1.302 5.864 15.732 1.00 0.00 N ATOM 0 H ARG A 38 -5.658 1.125 9.981 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.631 1.085 12.558 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.864 3.793 11.443 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.875 3.581 12.859 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -4.068 3.440 14.261 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -3.236 2.312 13.209 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.330 4.066 11.845 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -3.466 5.250 12.462 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.943 4.430 13.700 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.186 5.763 14.246 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.730 6.598 15.735 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.349 5.513 15.636 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.550 6.456 16.525 1.00 0.00 H new ATOM 425 N ASP A 39 -7.563 1.605 11.173 1.00 0.00 N ATOM 426 CA ASP A 39 -8.974 1.291 11.273 1.00 0.00 C ATOM 427 C ASP A 39 -9.530 0.977 9.892 1.00 0.00 C ATOM 428 O ASP A 39 -9.249 1.689 8.931 1.00 0.00 O ATOM 429 CB ASP A 39 -9.713 2.470 11.899 1.00 0.00 C ATOM 430 CG ASP A 39 -8.891 3.096 13.017 1.00 0.00 C ATOM 431 OD1 ASP A 39 -9.056 2.636 14.168 1.00 0.00 O ATOM 432 OD2 ASP A 39 -8.114 4.021 12.700 1.00 0.00 O ATOM 0 H ASP A 39 -7.289 2.030 10.287 1.00 0.00 H new ATOM 0 HA ASP A 39 -9.113 0.415 11.907 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.925 3.218 11.135 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.673 2.135 12.292 1.00 0.00 H new ATOM 438 N ARG A 40 -10.321 -0.094 9.794 1.00 0.00 N ATOM 439 CA ARG A 40 -10.911 -0.497 8.533 1.00 0.00 C ATOM 440 C ARG A 40 -12.066 -1.456 8.787 1.00 0.00 C ATOM 441 O ARG A 40 -12.370 -1.774 9.935 1.00 0.00 O ATOM 442 CB ARG A 40 -9.845 -1.154 7.661 1.00 0.00 C ATOM 443 CG ARG A 40 -9.099 -0.080 6.874 1.00 0.00 C ATOM 444 CD ARG A 40 -9.046 -0.475 5.401 1.00 0.00 C ATOM 445 NE ARG A 40 -9.232 0.692 4.538 1.00 0.00 N ATOM 446 CZ ARG A 40 -9.641 0.595 3.265 1.00 0.00 C ATOM 447 NH1 ARG A 40 -9.899 -0.607 2.734 1.00 0.00 N ATOM 448 NH2 ARG A 40 -9.792 1.702 2.524 1.00 0.00 N ATOM 0 H ARG A 40 -10.563 -0.695 10.582 1.00 0.00 H new ATOM 0 HA ARG A 40 -11.299 0.378 8.012 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -9.147 -1.716 8.282 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -10.307 -1.866 6.977 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.599 0.882 6.986 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.089 0.038 7.267 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.088 -0.945 5.181 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.819 -1.214 5.191 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.043 1.618 4.921 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.784 -1.449 3.298 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.210 -0.681 1.765 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.596 2.617 2.929 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.103 1.629 1.555 1.00 0.00 H new ATOM 462 N MET A 41 -12.709 -1.918 7.712 1.00 0.00 N ATOM 463 CA MET A 41 -13.825 -2.835 7.827 1.00 0.00 C ATOM 464 C MET A 41 -13.503 -4.135 7.105 1.00 0.00 C ATOM 465 O MET A 41 -12.932 -4.120 6.017 1.00 0.00 O ATOM 466 CB MET A 41 -15.076 -2.187 7.241 1.00 0.00 C ATOM 467 CG MET A 41 -16.234 -3.180 7.292 1.00 0.00 C ATOM 468 SD MET A 41 -17.837 -2.421 7.654 1.00 0.00 S ATOM 469 CE MET A 41 -17.847 -2.609 9.454 1.00 0.00 C ATOM 0 H MET A 41 -12.468 -1.666 6.753 1.00 0.00 H new ATOM 0 HA MET A 41 -14.006 -3.062 8.877 1.00 0.00 H new ATOM 0 HB2 MET A 41 -15.329 -1.287 7.802 1.00 0.00 H new ATOM 0 HB3 MET A 41 -14.891 -1.880 6.212 1.00 0.00 H new ATOM 0 HG2 MET A 41 -16.297 -3.699 6.336 1.00 0.00 H new ATOM 0 HG3 MET A 41 -16.020 -3.933 8.050 1.00 0.00 H new ATOM 0 HE1 MET A 41 -18.161 -1.673 9.916 1.00 0.00 H new ATOM 0 HE2 MET A 41 -18.541 -3.402 9.733 1.00 0.00 H new ATOM 0 HE3 MET A 41 -16.845 -2.866 9.799 1.00 0.00 H new ATOM 479 N TRP A 42 -13.871 -5.265 7.714 1.00 0.00 N ATOM 480 CA TRP A 42 -13.620 -6.564 7.124 1.00 0.00 C ATOM 481 C TRP A 42 -14.536 -7.605 7.752 1.00 0.00 C ATOM 482 O TRP A 42 -14.822 -7.544 8.946 1.00 0.00 O ATOM 483 CB TRP A 42 -12.155 -6.940 7.327 1.00 0.00 C ATOM 484 CG TRP A 42 -11.757 -8.259 6.745 1.00 0.00 C ATOM 485 CD1 TRP A 42 -11.148 -9.257 7.421 1.00 0.00 C ATOM 486 CD2 TRP A 42 -11.926 -8.746 5.379 1.00 0.00 C ATOM 487 NE1 TRP A 42 -10.929 -10.322 6.572 1.00 0.00 N ATOM 488 CE2 TRP A 42 -11.390 -10.060 5.298 1.00 0.00 C ATOM 489 CE3 TRP A 42 -12.476 -8.213 4.200 1.00 0.00 C ATOM 490 CZ2 TRP A 42 -11.400 -10.804 4.115 1.00 0.00 C ATOM 491 CZ3 TRP A 42 -12.490 -8.951 3.008 1.00 0.00 C ATOM 492 CH2 TRP A 42 -11.954 -10.243 2.962 1.00 0.00 C ATOM 0 H TRP A 42 -14.344 -5.297 8.617 1.00 0.00 H new ATOM 0 HA TRP A 42 -13.828 -6.526 6.055 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -11.531 -6.162 6.887 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -11.943 -6.952 8.396 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -10.875 -9.226 8.465 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -10.482 -11.195 6.851 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -12.895 -7.218 4.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.984 -11.801 4.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -12.919 -8.518 2.116 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -11.969 -10.804 2.039 1.00 0.00 H new ATOM 503 N LEU A 43 -14.996 -8.563 6.944 1.00 0.00 N ATOM 504 CA LEU A 43 -15.875 -9.611 7.423 1.00 0.00 C ATOM 505 C LEU A 43 -17.196 -9.008 7.881 1.00 0.00 C ATOM 506 O LEU A 43 -17.978 -9.667 8.563 1.00 0.00 O ATOM 507 CB LEU A 43 -15.197 -10.360 8.566 1.00 0.00 C ATOM 508 CG LEU A 43 -14.480 -11.589 8.015 1.00 0.00 C ATOM 509 CD1 LEU A 43 -12.972 -11.373 8.087 1.00 0.00 C ATOM 510 CD2 LEU A 43 -14.860 -12.813 8.843 1.00 0.00 C ATOM 0 H LEU A 43 -14.768 -8.627 5.952 1.00 0.00 H new ATOM 0 HA LEU A 43 -16.081 -10.315 6.617 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -14.486 -9.707 9.071 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -15.937 -10.660 9.308 1.00 0.00 H new ATOM 0 HG LEU A 43 -14.774 -11.747 6.977 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.460 -12.251 7.693 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -12.701 -10.499 7.495 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.676 -11.215 9.124 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.348 -13.691 8.450 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.566 -12.656 9.881 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -15.938 -12.967 8.791 1.00 0.00 H new ATOM 522 N LYS A 44 -17.443 -7.751 7.505 1.00 0.00 N ATOM 523 CA LYS A 44 -18.665 -7.069 7.879 1.00 0.00 C ATOM 524 C LYS A 44 -18.496 -6.414 9.242 1.00 0.00 C ATOM 525 O LYS A 44 -19.442 -5.844 9.781 1.00 0.00 O ATOM 526 CB LYS A 44 -19.818 -8.068 7.898 1.00 0.00 C ATOM 527 CG LYS A 44 -20.071 -8.524 9.332 1.00 0.00 C ATOM 528 CD LYS A 44 -21.350 -7.877 9.855 1.00 0.00 C ATOM 529 CE LYS A 44 -21.631 -8.375 11.270 1.00 0.00 C ATOM 530 NZ LYS A 44 -22.426 -9.612 11.246 1.00 0.00 N ATOM 0 H LYS A 44 -16.805 -7.191 6.940 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.888 -6.290 7.150 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -20.717 -7.610 7.487 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -19.581 -8.926 7.269 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -20.159 -9.610 9.369 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -19.227 -8.251 9.966 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -21.248 -6.792 9.854 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -22.187 -8.119 9.200 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -20.690 -8.554 11.790 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -22.164 -7.607 11.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -22.603 -9.930 12.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -23.333 -9.433 10.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -21.905 -10.350 10.731 1.00 0.00 H new ATOM 544 N ILE A 45 -17.285 -6.496 9.799 1.00 0.00 N ATOM 545 CA ILE A 45 -16.996 -5.912 11.094 1.00 0.00 C ATOM 546 C ILE A 45 -15.918 -4.848 10.948 1.00 0.00 C ATOM 547 O ILE A 45 -15.288 -4.738 9.898 1.00 0.00 O ATOM 548 CB ILE A 45 -16.550 -7.008 12.057 1.00 0.00 C ATOM 549 CG1 ILE A 45 -17.058 -8.359 11.563 1.00 0.00 C ATOM 550 CG2 ILE A 45 -17.119 -6.727 13.445 1.00 0.00 C ATOM 551 CD1 ILE A 45 -16.619 -9.453 12.532 1.00 0.00 C ATOM 0 H ILE A 45 -16.491 -6.965 9.364 1.00 0.00 H new ATOM 0 HA ILE A 45 -17.893 -5.440 11.495 1.00 0.00 H new ATOM 0 HB ILE A 45 -15.461 -7.026 12.107 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -18.145 -8.344 11.483 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -16.668 -8.564 10.566 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -16.801 -7.510 14.134 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -16.755 -5.762 13.799 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -18.208 -6.708 13.395 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -16.982 -10.418 12.179 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -15.531 -9.473 12.589 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -17.030 -9.250 13.521 1.00 0.00 H new ATOM 563 N THR A 46 -15.704 -4.062 12.006 1.00 0.00 N ATOM 564 CA THR A 46 -14.703 -3.014 11.987 1.00 0.00 C ATOM 565 C THR A 46 -13.648 -3.285 13.049 1.00 0.00 C ATOM 566 O THR A 46 -13.978 -3.569 14.198 1.00 0.00 O ATOM 567 CB THR A 46 -15.376 -1.665 12.225 1.00 0.00 C ATOM 568 OG1 THR A 46 -16.238 -1.374 11.148 1.00 0.00 O ATOM 569 CG2 THR A 46 -14.310 -0.577 12.332 1.00 0.00 C ATOM 0 H THR A 46 -16.216 -4.139 12.885 1.00 0.00 H new ATOM 0 HA THR A 46 -14.212 -2.995 11.014 1.00 0.00 H new ATOM 0 HB THR A 46 -15.951 -1.703 13.150 1.00 0.00 H new ATOM 0 HG1 THR A 46 -15.714 -1.042 10.390 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.790 0.387 12.502 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.643 -0.802 13.164 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.736 -0.538 11.406 1.00 0.00 H new ATOM 577 N ILE A 47 -12.373 -3.197 12.661 1.00 0.00 N ATOM 578 CA ILE A 47 -11.275 -3.431 13.577 1.00 0.00 C ATOM 579 C ILE A 47 -10.419 -2.177 13.685 1.00 0.00 C ATOM 580 O ILE A 47 -10.477 -1.307 12.818 1.00 0.00 O ATOM 581 CB ILE A 47 -10.445 -4.613 13.085 1.00 0.00 C ATOM 582 CG1 ILE A 47 -11.319 -5.862 13.033 1.00 0.00 C ATOM 583 CG2 ILE A 47 -9.278 -4.848 14.040 1.00 0.00 C ATOM 584 CD1 ILE A 47 -11.925 -6.002 11.639 1.00 0.00 C ATOM 0 H ILE A 47 -12.084 -2.963 11.711 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.665 -3.667 14.567 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.061 -4.397 12.088 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.726 -6.744 13.273 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.110 -5.797 13.780 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.685 -5.692 13.689 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -8.653 -3.956 14.077 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.662 -5.064 15.037 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.550 -6.895 11.602 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.532 -5.125 11.416 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.126 -6.087 10.902 1.00 0.00 H new ATOM 596 N ALA A 48 -9.623 -2.085 14.752 1.00 0.00 N ATOM 597 CA ALA A 48 -8.762 -0.939 14.968 1.00 0.00 C ATOM 598 C ALA A 48 -7.358 -1.248 14.466 1.00 0.00 C ATOM 599 O ALA A 48 -6.379 -1.008 15.168 1.00 0.00 O ATOM 600 CB ALA A 48 -8.740 -0.592 16.453 1.00 0.00 C ATOM 0 H ALA A 48 -9.563 -2.798 15.479 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.145 -0.082 14.414 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -8.093 0.270 16.616 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.750 -0.355 16.786 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.361 -1.443 17.020 1.00 0.00 H new ATOM 606 N ASN A 49 -7.262 -1.782 13.246 1.00 0.00 N ATOM 607 CA ASN A 49 -5.981 -2.120 12.659 1.00 0.00 C ATOM 608 C ASN A 49 -6.155 -3.235 11.638 1.00 0.00 C ATOM 609 O ASN A 49 -6.187 -4.410 11.997 1.00 0.00 O ATOM 610 CB ASN A 49 -5.015 -2.543 13.762 1.00 0.00 C ATOM 611 CG ASN A 49 -5.721 -3.398 14.805 1.00 0.00 C ATOM 612 OD1 ASN A 49 -5.513 -3.075 16.083 1.00 0.00 O flip ATOM 613 ND2 ASN A 49 -6.439 -4.333 14.460 1.00 0.00 N flip ATOM 0 H ASN A 49 -8.064 -1.987 12.650 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.571 -1.249 12.147 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.185 -3.102 13.329 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.590 -1.659 14.238 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.566 -4.540 13.469 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.908 -4.903 15.164 1.00 0.00 H new ATOM 620 N ALA A 50 -6.268 -2.863 10.361 1.00 0.00 N ATOM 621 CA ALA A 50 -6.439 -3.830 9.295 1.00 0.00 C ATOM 622 C ALA A 50 -6.083 -3.193 7.959 1.00 0.00 C ATOM 623 O ALA A 50 -6.236 -1.986 7.784 1.00 0.00 O ATOM 624 CB ALA A 50 -7.881 -4.329 9.289 1.00 0.00 C ATOM 0 H ALA A 50 -6.243 -1.893 10.048 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.775 -4.679 9.458 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.011 -5.056 8.488 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.107 -4.799 10.246 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.556 -3.488 9.129 1.00 0.00 H new ATOM 630 N VAL A 51 -5.607 -4.008 7.016 1.00 0.00 N ATOM 631 CA VAL A 51 -5.232 -3.522 5.703 1.00 0.00 C ATOM 632 C VAL A 51 -4.621 -4.655 4.890 1.00 0.00 C ATOM 633 O VAL A 51 -5.073 -4.941 3.784 1.00 0.00 O ATOM 634 CB VAL A 51 -4.243 -2.369 5.852 1.00 0.00 C ATOM 635 CG1 VAL A 51 -4.993 -1.043 5.766 1.00 0.00 C ATOM 636 CG2 VAL A 51 -3.543 -2.471 7.204 1.00 0.00 C ATOM 0 H VAL A 51 -5.475 -5.011 7.146 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.116 -3.160 5.178 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.502 -2.420 5.055 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.288 -0.219 5.872 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.494 -0.970 4.801 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.734 -0.992 6.564 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.837 -1.648 7.311 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.284 -2.420 8.002 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.008 -3.419 7.266 1.00 0.00 H new ATOM 646 N ILE A 52 -3.591 -5.300 5.442 1.00 0.00 N ATOM 647 CA ILE A 52 -2.924 -6.398 4.770 1.00 0.00 C ATOM 648 C ILE A 52 -2.494 -5.963 3.376 1.00 0.00 C ATOM 649 O ILE A 52 -2.836 -4.869 2.933 1.00 0.00 O ATOM 650 CB ILE A 52 -3.866 -7.596 4.698 1.00 0.00 C ATOM 651 CG1 ILE A 52 -3.078 -8.879 4.946 1.00 0.00 C ATOM 652 CG2 ILE A 52 -4.509 -7.654 3.315 1.00 0.00 C ATOM 653 CD1 ILE A 52 -4.020 -9.962 5.464 1.00 0.00 C ATOM 0 H ILE A 52 -3.205 -5.073 6.358 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.034 -6.687 5.329 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.642 -7.494 5.457 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.600 -9.209 4.024 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.284 -8.696 5.670 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.182 -8.510 3.262 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.072 -6.738 3.137 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.733 -7.756 2.557 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.458 -10.879 5.641 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.478 -9.631 6.396 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.798 -10.151 4.725 1.00 0.00 H new ATOM 665 N GLY A 53 -1.743 -6.822 2.684 1.00 0.00 N ATOM 666 CA GLY A 53 -1.274 -6.518 1.347 1.00 0.00 C ATOM 667 C GLY A 53 -2.447 -6.158 0.446 1.00 0.00 C ATOM 668 O GLY A 53 -2.326 -5.294 -0.420 1.00 0.00 O ATOM 0 H GLY A 53 -1.450 -7.734 3.036 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.566 -5.690 1.382 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.741 -7.376 0.937 1.00 0.00 H new ATOM 672 N ALA A 54 -3.586 -6.823 0.653 1.00 0.00 N ATOM 673 CA ALA A 54 -4.772 -6.573 -0.140 1.00 0.00 C ATOM 674 C ALA A 54 -5.029 -5.075 -0.225 1.00 0.00 C ATOM 675 O ALA A 54 -4.958 -4.491 -1.305 1.00 0.00 O ATOM 676 CB ALA A 54 -5.964 -7.290 0.488 1.00 0.00 C ATOM 0 H ALA A 54 -3.703 -7.540 1.369 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.625 -6.955 -1.150 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.857 -7.102 -0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.768 -8.362 0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.120 -6.919 1.501 1.00 0.00 H new ATOM 682 N ASP A 55 -5.327 -4.452 0.918 1.00 0.00 N ATOM 683 CA ASP A 55 -5.592 -3.029 0.966 1.00 0.00 C ATOM 684 C ASP A 55 -4.365 -2.260 0.499 1.00 0.00 C ATOM 685 O ASP A 55 -4.470 -1.370 -0.342 1.00 0.00 O ATOM 686 CB ASP A 55 -5.972 -2.631 2.389 1.00 0.00 C ATOM 687 CG ASP A 55 -6.912 -1.434 2.387 1.00 0.00 C ATOM 688 OD1 ASP A 55 -7.822 -1.425 3.244 1.00 0.00 O ATOM 689 OD2 ASP A 55 -6.703 -0.550 1.528 1.00 0.00 O ATOM 0 H ASP A 55 -5.389 -4.921 1.821 1.00 0.00 H new ATOM 0 HA ASP A 55 -6.422 -2.787 0.302 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.450 -3.473 2.891 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.073 -2.391 2.956 1.00 0.00 H new ATOM 695 N VAL A 56 -3.198 -2.605 1.049 1.00 0.00 N ATOM 696 CA VAL A 56 -1.958 -1.947 0.688 1.00 0.00 C ATOM 697 C VAL A 56 -1.849 -1.851 -0.827 1.00 0.00 C ATOM 698 O VAL A 56 -1.286 -0.892 -1.351 1.00 0.00 O ATOM 699 CB VAL A 56 -0.782 -2.727 1.267 1.00 0.00 C ATOM 700 CG1 VAL A 56 0.519 -1.990 0.959 1.00 0.00 C ATOM 701 CG2 VAL A 56 -0.949 -2.852 2.779 1.00 0.00 C ATOM 0 H VAL A 56 -3.095 -3.341 1.748 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.944 -0.937 1.098 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.751 -3.721 0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.360 -2.547 1.373 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.639 -1.900 -0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.488 -0.996 1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.109 -3.409 3.193 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.980 -1.858 3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.878 -3.378 3.000 1.00 0.00 H new ATOM 711 N VAL A 57 -2.389 -2.848 -1.530 1.00 0.00 N ATOM 712 CA VAL A 57 -2.350 -2.872 -2.979 1.00 0.00 C ATOM 713 C VAL A 57 -3.427 -1.953 -3.538 1.00 0.00 C ATOM 714 O VAL A 57 -3.121 -0.977 -4.218 1.00 0.00 O ATOM 715 CB VAL A 57 -2.551 -4.303 -3.469 1.00 0.00 C ATOM 716 CG1 VAL A 57 -2.669 -4.307 -4.991 1.00 0.00 C ATOM 717 CG2 VAL A 57 -1.358 -5.157 -3.049 1.00 0.00 C ATOM 0 H VAL A 57 -2.859 -3.650 -1.110 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.380 -2.517 -3.327 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.462 -4.712 -3.032 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.813 -5.329 -5.342 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.521 -3.697 -5.291 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.758 -3.898 -5.428 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.501 -6.179 -3.399 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.447 -4.748 -3.485 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.273 -5.154 -1.962 1.00 0.00 H new ATOM 727 N ASP A 58 -4.692 -2.268 -3.248 1.00 0.00 N ATOM 728 CA ASP A 58 -5.806 -1.471 -3.722 1.00 0.00 C ATOM 729 C ASP A 58 -5.464 0.008 -3.613 1.00 0.00 C ATOM 730 O ASP A 58 -5.964 0.821 -4.387 1.00 0.00 O ATOM 731 CB ASP A 58 -7.051 -1.801 -2.904 1.00 0.00 C ATOM 732 CG ASP A 58 -8.315 -1.547 -3.712 1.00 0.00 C ATOM 733 OD1 ASP A 58 -9.022 -0.575 -3.368 1.00 0.00 O ATOM 734 OD2 ASP A 58 -8.552 -2.329 -4.658 1.00 0.00 O ATOM 0 H ASP A 58 -4.962 -3.074 -2.684 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.005 -1.701 -4.769 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.019 -2.844 -2.590 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.066 -1.196 -1.998 1.00 0.00 H new ATOM 740 N TRP A 59 -4.610 0.357 -2.648 1.00 0.00 N ATOM 741 CA TRP A 59 -4.209 1.735 -2.448 1.00 0.00 C ATOM 742 C TRP A 59 -3.131 2.112 -3.454 1.00 0.00 C ATOM 743 O TRP A 59 -3.340 2.985 -4.294 1.00 0.00 O ATOM 744 CB TRP A 59 -3.703 1.914 -1.020 1.00 0.00 C ATOM 745 CG TRP A 59 -3.352 3.319 -0.648 1.00 0.00 C ATOM 746 CD1 TRP A 59 -4.236 4.275 -0.288 1.00 0.00 C ATOM 747 CD2 TRP A 59 -2.037 3.951 -0.591 1.00 0.00 C ATOM 748 NE1 TRP A 59 -3.564 5.447 -0.015 1.00 0.00 N ATOM 749 CE2 TRP A 59 -2.202 5.303 -0.186 1.00 0.00 C ATOM 750 CE3 TRP A 59 -0.722 3.520 -0.841 1.00 0.00 C ATOM 751 CZ2 TRP A 59 -1.124 6.180 -0.037 1.00 0.00 C ATOM 752 CZ3 TRP A 59 0.367 4.392 -0.695 1.00 0.00 C ATOM 753 CH2 TRP A 59 0.171 5.719 -0.294 1.00 0.00 C ATOM 0 H TRP A 59 -4.187 -0.304 -1.996 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.065 2.392 -2.602 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -4.466 1.551 -0.331 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -2.823 1.286 -0.880 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.306 4.141 -0.224 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.017 6.313 0.277 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -0.548 2.500 -1.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -1.289 7.201 0.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.367 4.036 -0.894 1.00 0.00 H new ATOM 0 HH2 TRP A 59 1.015 6.383 -0.184 1.00 0.00 H new ATOM 764 N LEU A 60 -1.974 1.452 -3.367 1.00 0.00 N ATOM 765 CA LEU A 60 -0.871 1.719 -4.267 1.00 0.00 C ATOM 766 C LEU A 60 -1.401 2.001 -5.665 1.00 0.00 C ATOM 767 O LEU A 60 -0.851 2.832 -6.384 1.00 0.00 O ATOM 768 CB LEU A 60 0.076 0.523 -4.280 1.00 0.00 C ATOM 769 CG LEU A 60 1.088 0.663 -3.146 1.00 0.00 C ATOM 770 CD1 LEU A 60 1.619 -0.715 -2.763 1.00 0.00 C ATOM 771 CD2 LEU A 60 2.247 1.545 -3.605 1.00 0.00 C ATOM 0 H LEU A 60 -1.785 0.727 -2.675 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.323 2.596 -3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.488 -0.403 -4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.593 0.465 -5.238 1.00 0.00 H new ATOM 0 HG LEU A 60 0.604 1.118 -2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.342 -0.614 -1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.792 -1.345 -2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.103 -1.171 -3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.970 1.646 -2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.730 1.090 -4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.869 2.530 -3.878 1.00 0.00 H new ATOM 783 N TYR A 61 -2.474 1.307 -6.050 1.00 0.00 N ATOM 784 CA TYR A 61 -3.071 1.486 -7.358 1.00 0.00 C ATOM 785 C TYR A 61 -3.985 2.702 -7.347 1.00 0.00 C ATOM 786 O TYR A 61 -3.955 3.514 -8.270 1.00 0.00 O ATOM 787 CB TYR A 61 -3.847 0.229 -7.738 1.00 0.00 C ATOM 788 CG TYR A 61 -4.536 0.327 -9.078 1.00 0.00 C ATOM 789 CD1 TYR A 61 -3.796 0.180 -10.258 1.00 0.00 C ATOM 790 CD2 TYR A 61 -5.914 0.565 -9.142 1.00 0.00 C ATOM 791 CE1 TYR A 61 -4.434 0.272 -11.501 1.00 0.00 C ATOM 792 CE2 TYR A 61 -6.552 0.657 -10.384 1.00 0.00 C ATOM 793 CZ TYR A 61 -5.812 0.511 -11.564 1.00 0.00 C ATOM 794 OH TYR A 61 -6.434 0.601 -12.774 1.00 0.00 O ATOM 0 H TYR A 61 -2.943 0.615 -5.465 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.289 1.652 -8.099 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -3.163 -0.620 -7.751 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -4.593 0.026 -6.969 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.733 -0.004 -10.209 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.485 0.678 -8.232 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.863 0.159 -12.411 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -7.615 0.841 -10.433 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.390 0.768 -12.639 1.00 0.00 H new ATOM 804 N THR A 62 -4.802 2.828 -6.298 1.00 0.00 N ATOM 805 CA THR A 62 -5.717 3.945 -6.176 1.00 0.00 C ATOM 806 C THR A 62 -4.994 5.146 -5.582 1.00 0.00 C ATOM 807 O THR A 62 -5.629 6.107 -5.154 1.00 0.00 O ATOM 808 CB THR A 62 -6.899 3.539 -5.300 1.00 0.00 C ATOM 809 OG1 THR A 62 -8.011 4.350 -5.606 1.00 0.00 O ATOM 810 CG2 THR A 62 -6.529 3.717 -3.831 1.00 0.00 C ATOM 0 H THR A 62 -4.842 2.164 -5.524 1.00 0.00 H new ATOM 0 HA THR A 62 -6.089 4.223 -7.162 1.00 0.00 H new ATOM 0 HB THR A 62 -7.148 2.495 -5.488 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.745 5.293 -5.581 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.373 3.427 -3.205 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.669 3.090 -3.594 1.00 0.00 H new ATOM 0 HG23 THR A 62 -6.280 4.761 -3.643 1.00 0.00 H new ATOM 818 N HIS A 63 -3.660 5.090 -5.558 1.00 0.00 N ATOM 819 CA HIS A 63 -2.862 6.171 -5.015 1.00 0.00 C ATOM 820 C HIS A 63 -1.906 6.694 -6.078 1.00 0.00 C ATOM 821 O HIS A 63 -2.017 7.841 -6.506 1.00 0.00 O ATOM 822 CB HIS A 63 -2.094 5.672 -3.795 1.00 0.00 C ATOM 823 CG HIS A 63 -1.620 6.792 -2.910 1.00 0.00 C ATOM 824 ND1 HIS A 63 -0.322 7.190 -2.738 1.00 0.00 N flip ATOM 825 CD2 HIS A 63 -2.414 7.601 -2.129 1.00 0.00 C flip ATOM 826 CE1 HIS A 63 -0.319 8.259 -1.837 1.00 0.00 C flip ATOM 827 NE2 HIS A 63 -1.602 8.469 -1.499 1.00 0.00 N flip ATOM 0 H HIS A 63 -3.117 4.302 -5.911 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.514 6.989 -4.708 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.732 5.003 -3.217 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -1.236 5.087 -4.125 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.489 7.549 -2.039 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.542 8.806 -1.484 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -1.918 9.190 -0.851 1.00 0.00 H new ATOM 835 N VAL A 64 -0.963 5.849 -6.502 1.00 0.00 N ATOM 836 CA VAL A 64 0.006 6.228 -7.510 1.00 0.00 C ATOM 837 C VAL A 64 -0.021 5.225 -8.654 1.00 0.00 C ATOM 838 O VAL A 64 -0.817 4.288 -8.642 1.00 0.00 O ATOM 839 CB VAL A 64 1.395 6.292 -6.879 1.00 0.00 C ATOM 840 CG1 VAL A 64 1.361 7.216 -5.665 1.00 0.00 C ATOM 841 CG2 VAL A 64 1.820 4.893 -6.443 1.00 0.00 C ATOM 0 H VAL A 64 -0.857 4.896 -6.155 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.243 7.211 -7.910 1.00 0.00 H new ATOM 0 HB VAL A 64 2.108 6.678 -7.608 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.353 7.262 -5.215 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.058 8.215 -5.977 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.648 6.832 -4.935 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.812 4.938 -5.992 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.107 4.507 -5.714 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.845 4.233 -7.310 1.00 0.00 H new ATOM 851 N GLU A 65 0.851 5.423 -9.645 1.00 0.00 N ATOM 852 CA GLU A 65 0.920 4.534 -10.788 1.00 0.00 C ATOM 853 C GLU A 65 2.372 4.319 -11.192 1.00 0.00 C ATOM 854 O GLU A 65 3.261 5.027 -10.723 1.00 0.00 O ATOM 855 CB GLU A 65 0.119 5.129 -11.942 1.00 0.00 C ATOM 856 CG GLU A 65 0.651 6.522 -12.266 1.00 0.00 C ATOM 857 CD GLU A 65 0.659 6.765 -13.768 1.00 0.00 C ATOM 858 OE1 GLU A 65 1.554 6.197 -14.431 1.00 0.00 O ATOM 859 OE2 GLU A 65 -0.231 7.515 -14.226 1.00 0.00 O ATOM 0 H GLU A 65 1.517 6.195 -9.671 1.00 0.00 H new ATOM 0 HA GLU A 65 0.492 3.566 -10.526 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.193 4.487 -12.819 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.937 5.184 -11.676 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.034 7.274 -11.775 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.661 6.631 -11.871 1.00 0.00 H new ATOM 867 N GLY A 66 2.612 3.340 -12.067 1.00 0.00 N ATOM 868 CA GLY A 66 3.953 3.042 -12.527 1.00 0.00 C ATOM 869 C GLY A 66 4.142 1.537 -12.665 1.00 0.00 C ATOM 870 O GLY A 66 5.099 1.084 -13.288 1.00 0.00 O ATOM 0 H GLY A 66 1.887 2.744 -12.467 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.132 3.527 -13.486 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.683 3.444 -11.825 1.00 0.00 H new ATOM 874 N PHE A 67 3.223 0.763 -12.083 1.00 0.00 N ATOM 875 CA PHE A 67 3.294 -0.683 -12.145 1.00 0.00 C ATOM 876 C PHE A 67 2.640 -1.177 -13.427 1.00 0.00 C ATOM 877 O PHE A 67 1.546 -0.740 -13.777 1.00 0.00 O ATOM 878 CB PHE A 67 2.604 -1.278 -10.921 1.00 0.00 C ATOM 879 CG PHE A 67 3.281 -0.929 -9.617 1.00 0.00 C ATOM 880 CD1 PHE A 67 4.660 -1.123 -9.471 1.00 0.00 C ATOM 881 CD2 PHE A 67 2.531 -0.407 -8.556 1.00 0.00 C ATOM 882 CE1 PHE A 67 5.288 -0.797 -8.263 1.00 0.00 C ATOM 883 CE2 PHE A 67 3.159 -0.082 -7.349 1.00 0.00 C ATOM 884 CZ PHE A 67 4.538 -0.277 -7.202 1.00 0.00 C ATOM 0 H PHE A 67 2.422 1.123 -11.564 1.00 0.00 H new ATOM 0 HA PHE A 67 4.337 -1.000 -12.148 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.572 -0.928 -10.890 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.570 -2.363 -11.025 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.239 -1.524 -10.290 1.00 0.00 H new ATOM 0 HD2 PHE A 67 1.468 -0.255 -8.670 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.352 -0.947 -8.150 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.580 0.319 -6.530 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.023 -0.026 -6.270 1.00 0.00 H new ATOM 894 N LYS A 68 3.313 -2.092 -14.129 1.00 0.00 N ATOM 895 CA LYS A 68 2.794 -2.638 -15.367 1.00 0.00 C ATOM 896 C LYS A 68 1.294 -2.865 -15.243 1.00 0.00 C ATOM 897 O LYS A 68 0.514 -2.313 -16.016 1.00 0.00 O ATOM 898 CB LYS A 68 3.514 -3.946 -15.686 1.00 0.00 C ATOM 899 CG LYS A 68 2.715 -4.725 -16.726 1.00 0.00 C ATOM 900 CD LYS A 68 2.154 -5.995 -16.092 1.00 0.00 C ATOM 901 CE LYS A 68 1.492 -6.851 -17.168 1.00 0.00 C ATOM 902 NZ LYS A 68 1.584 -8.281 -16.835 1.00 0.00 N ATOM 0 H LYS A 68 4.221 -2.466 -13.853 1.00 0.00 H new ATOM 0 HA LYS A 68 2.968 -1.934 -16.181 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.516 -3.740 -16.061 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.629 -4.541 -14.780 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.903 -4.109 -17.112 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.352 -4.980 -17.573 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.953 -6.556 -15.607 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.429 -5.739 -15.319 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.445 -6.565 -17.272 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.970 -6.666 -18.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.127 -8.842 -17.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.584 -8.556 -16.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.106 -8.458 -15.928 1.00 0.00 H new ATOM 916 N GLU A 69 0.890 -3.682 -14.267 1.00 0.00 N ATOM 917 CA GLU A 69 -0.512 -3.975 -14.050 1.00 0.00 C ATOM 918 C GLU A 69 -0.715 -4.536 -12.649 1.00 0.00 C ATOM 919 O GLU A 69 0.201 -4.512 -11.830 1.00 0.00 O ATOM 920 CB GLU A 69 -0.992 -4.968 -15.104 1.00 0.00 C ATOM 921 CG GLU A 69 -2.462 -4.704 -15.420 1.00 0.00 C ATOM 922 CD GLU A 69 -2.647 -4.356 -16.890 1.00 0.00 C ATOM 923 OE1 GLU A 69 -1.754 -4.733 -17.680 1.00 0.00 O ATOM 924 OE2 GLU A 69 -3.679 -3.720 -17.197 1.00 0.00 O ATOM 0 H GLU A 69 1.523 -4.149 -13.618 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.095 -3.058 -14.139 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.392 -4.873 -16.009 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.864 -5.988 -14.743 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.055 -5.585 -15.173 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.831 -3.887 -14.799 1.00 0.00 H new ATOM 932 N ARG A 70 -1.920 -5.042 -12.377 1.00 0.00 N ATOM 933 CA ARG A 70 -2.237 -5.605 -11.080 1.00 0.00 C ATOM 934 C ARG A 70 -1.104 -6.511 -10.620 1.00 0.00 C ATOM 935 O ARG A 70 -0.859 -6.641 -9.422 1.00 0.00 O ATOM 936 CB ARG A 70 -3.547 -6.382 -11.171 1.00 0.00 C ATOM 937 CG ARG A 70 -4.310 -6.250 -9.856 1.00 0.00 C ATOM 938 CD ARG A 70 -5.366 -7.348 -9.767 1.00 0.00 C ATOM 939 NE ARG A 70 -6.695 -6.824 -10.082 1.00 0.00 N ATOM 940 CZ ARG A 70 -7.495 -6.271 -9.160 1.00 0.00 C ATOM 941 NH1 ARG A 70 -7.086 -6.179 -7.887 1.00 0.00 N ATOM 942 NH2 ARG A 70 -8.704 -5.810 -9.510 1.00 0.00 N ATOM 0 H ARG A 70 -2.689 -5.069 -13.046 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.354 -4.804 -10.350 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.152 -6.001 -11.994 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.345 -7.432 -11.383 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.621 -6.324 -9.015 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.783 -5.270 -9.795 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.116 -8.154 -10.457 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.368 -7.775 -8.764 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.027 -6.882 -11.045 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.166 -6.530 -7.620 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.695 -5.758 -7.185 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.016 -5.880 -10.479 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.312 -5.389 -8.808 1.00 0.00 H new ATOM 956 N ARG A 71 -0.413 -7.137 -11.575 1.00 0.00 N ATOM 957 CA ARG A 71 0.688 -8.026 -11.264 1.00 0.00 C ATOM 958 C ARG A 71 1.791 -7.253 -10.554 1.00 0.00 C ATOM 959 O ARG A 71 2.037 -7.467 -9.369 1.00 0.00 O ATOM 960 CB ARG A 71 1.212 -8.655 -12.552 1.00 0.00 C ATOM 961 CG ARG A 71 1.164 -10.176 -12.431 1.00 0.00 C ATOM 962 CD ARG A 71 0.172 -10.736 -13.446 1.00 0.00 C ATOM 963 NE ARG A 71 0.578 -12.066 -13.899 1.00 0.00 N ATOM 964 CZ ARG A 71 -0.261 -12.911 -14.514 1.00 0.00 C ATOM 965 NH1 ARG A 71 -1.531 -12.549 -14.738 1.00 0.00 N ATOM 966 NH2 ARG A 71 0.170 -14.118 -14.905 1.00 0.00 N ATOM 0 H ARG A 71 -0.604 -7.038 -12.572 1.00 0.00 H new ATOM 0 HA ARG A 71 0.343 -8.820 -10.601 1.00 0.00 H new ATOM 0 HB2 ARG A 71 0.611 -8.328 -13.400 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.234 -8.326 -12.740 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.154 -10.597 -12.604 1.00 0.00 H new ATOM 0 HG3 ARG A 71 0.868 -10.462 -11.422 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.821 -10.788 -12.999 1.00 0.00 H new ATOM 0 HD3 ARG A 71 0.102 -10.063 -14.300 1.00 0.00 H new ATOM 0 HE ARG A 71 1.541 -12.363 -13.740 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.859 -11.630 -14.441 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.170 -13.192 -15.206 1.00 0.00 H new ATOM 0 HH21 ARG A 71 1.137 -14.394 -14.735 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.469 -14.761 -15.373 1.00 0.00 H new ATOM 980 N GLU A 72 2.455 -6.352 -11.282 1.00 0.00 N ATOM 981 CA GLU A 72 3.524 -5.554 -10.716 1.00 0.00 C ATOM 982 C GLU A 72 3.092 -4.984 -9.373 1.00 0.00 C ATOM 983 O GLU A 72 3.882 -4.933 -8.433 1.00 0.00 O ATOM 984 CB GLU A 72 3.890 -4.435 -11.687 1.00 0.00 C ATOM 985 CG GLU A 72 5.047 -4.888 -12.573 1.00 0.00 C ATOM 986 CD GLU A 72 5.861 -3.695 -13.054 1.00 0.00 C ATOM 987 OE1 GLU A 72 5.662 -2.603 -12.479 1.00 0.00 O ATOM 988 OE2 GLU A 72 6.668 -3.898 -13.987 1.00 0.00 O ATOM 0 H GLU A 72 2.264 -6.163 -12.266 1.00 0.00 H new ATOM 0 HA GLU A 72 4.402 -6.180 -10.554 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.028 -4.176 -12.301 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.170 -3.538 -11.135 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.689 -5.572 -12.018 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.660 -5.439 -13.430 1.00 0.00 H new ATOM 996 N ALA A 73 1.831 -4.553 -9.285 1.00 0.00 N ATOM 997 CA ALA A 73 1.300 -3.989 -8.060 1.00 0.00 C ATOM 998 C ALA A 73 1.461 -4.985 -6.921 1.00 0.00 C ATOM 999 O ALA A 73 2.013 -4.651 -5.875 1.00 0.00 O ATOM 1000 CB ALA A 73 -0.170 -3.631 -8.262 1.00 0.00 C ATOM 0 H ALA A 73 1.163 -4.588 -10.055 1.00 0.00 H new ATOM 0 HA ALA A 73 1.849 -3.083 -7.804 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.571 -3.207 -7.342 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.260 -2.902 -9.067 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.731 -4.529 -8.522 1.00 0.00 H new ATOM 1006 N ARG A 74 0.977 -6.212 -7.126 1.00 0.00 N ATOM 1007 CA ARG A 74 1.068 -7.249 -6.118 1.00 0.00 C ATOM 1008 C ARG A 74 2.529 -7.572 -5.841 1.00 0.00 C ATOM 1009 O ARG A 74 2.868 -8.048 -4.760 1.00 0.00 O ATOM 1010 CB ARG A 74 0.320 -8.490 -6.597 1.00 0.00 C ATOM 1011 CG ARG A 74 0.027 -9.398 -5.406 1.00 0.00 C ATOM 1012 CD ARG A 74 -1.352 -10.031 -5.576 1.00 0.00 C ATOM 1013 NE ARG A 74 -2.407 -9.020 -5.502 1.00 0.00 N ATOM 1014 CZ ARG A 74 -2.975 -8.482 -6.590 1.00 0.00 C ATOM 1015 NH1 ARG A 74 -2.581 -8.867 -7.811 1.00 0.00 N ATOM 1016 NH2 ARG A 74 -3.937 -7.559 -6.456 1.00 0.00 N ATOM 0 H ARG A 74 0.517 -6.504 -7.988 1.00 0.00 H new ATOM 0 HA ARG A 74 0.612 -6.902 -5.191 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.611 -8.201 -7.085 1.00 0.00 H new ATOM 0 HB3 ARG A 74 0.916 -9.024 -7.337 1.00 0.00 H new ATOM 0 HG2 ARG A 74 0.789 -10.174 -5.331 1.00 0.00 H new ATOM 0 HG3 ARG A 74 0.064 -8.824 -4.480 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -1.404 -10.546 -6.535 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -1.509 -10.782 -4.802 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.724 -8.711 -4.583 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.849 -9.570 -7.913 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.013 -8.458 -8.639 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -4.237 -7.266 -5.526 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.370 -7.149 -7.284 1.00 0.00 H new ATOM 1030 N LYS A 75 3.396 -7.313 -6.823 1.00 0.00 N ATOM 1031 CA LYS A 75 4.813 -7.578 -6.679 1.00 0.00 C ATOM 1032 C LYS A 75 5.420 -6.615 -5.669 1.00 0.00 C ATOM 1033 O LYS A 75 6.239 -7.012 -4.843 1.00 0.00 O ATOM 1034 CB LYS A 75 5.497 -7.439 -8.036 1.00 0.00 C ATOM 1035 CG LYS A 75 5.572 -8.806 -8.710 1.00 0.00 C ATOM 1036 CD LYS A 75 6.962 -9.002 -9.308 1.00 0.00 C ATOM 1037 CE LYS A 75 6.905 -8.769 -10.815 1.00 0.00 C ATOM 1038 NZ LYS A 75 8.063 -7.986 -11.273 1.00 0.00 N ATOM 0 H LYS A 75 3.131 -6.919 -7.726 1.00 0.00 H new ATOM 0 HA LYS A 75 4.960 -8.595 -6.315 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.943 -6.742 -8.665 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.499 -7.028 -7.910 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.362 -9.593 -7.985 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.815 -8.881 -9.490 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.668 -8.310 -8.849 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.321 -10.010 -9.098 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.882 -9.727 -11.334 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.984 -8.246 -11.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.000 -7.842 -12.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.070 -7.063 -10.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.939 -8.499 -11.049 1.00 0.00 H new ATOM 1052 N TYR A 76 5.016 -5.344 -5.736 1.00 0.00 N ATOM 1053 CA TYR A 76 5.523 -4.333 -4.830 1.00 0.00 C ATOM 1054 C TYR A 76 5.018 -4.604 -3.420 1.00 0.00 C ATOM 1055 O TYR A 76 5.804 -4.658 -2.476 1.00 0.00 O ATOM 1056 CB TYR A 76 5.079 -2.954 -5.308 1.00 0.00 C ATOM 1057 CG TYR A 76 5.841 -1.819 -4.668 1.00 0.00 C ATOM 1058 CD1 TYR A 76 7.138 -1.515 -5.101 1.00 0.00 C ATOM 1059 CD2 TYR A 76 5.252 -1.071 -3.642 1.00 0.00 C ATOM 1060 CE1 TYR A 76 7.845 -0.463 -4.508 1.00 0.00 C ATOM 1061 CE2 TYR A 76 5.959 -0.018 -3.049 1.00 0.00 C ATOM 1062 CZ TYR A 76 7.256 0.286 -3.482 1.00 0.00 C ATOM 1063 OH TYR A 76 7.945 1.312 -2.904 1.00 0.00 O ATOM 0 H TYR A 76 4.337 -4.998 -6.414 1.00 0.00 H new ATOM 0 HA TYR A 76 6.612 -4.365 -4.816 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.200 -2.897 -6.390 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.016 -2.831 -5.099 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.592 -2.093 -5.892 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.252 -1.306 -3.308 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.845 -0.229 -4.842 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.504 0.560 -2.258 1.00 0.00 H new ATOM 0 HH TYR A 76 8.907 1.165 -3.018 1.00 0.00 H new ATOM 1073 N ALA A 77 3.702 -4.774 -3.278 1.00 0.00 N ATOM 1074 CA ALA A 77 3.100 -5.037 -1.987 1.00 0.00 C ATOM 1075 C ALA A 77 3.789 -6.224 -1.328 1.00 0.00 C ATOM 1076 O ALA A 77 4.254 -6.124 -0.195 1.00 0.00 O ATOM 1077 CB ALA A 77 1.609 -5.309 -2.167 1.00 0.00 C ATOM 0 H ALA A 77 3.037 -4.732 -4.051 1.00 0.00 H new ATOM 0 HA ALA A 77 3.222 -4.167 -1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.155 -5.507 -1.196 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.133 -4.439 -2.619 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.473 -6.175 -2.814 1.00 0.00 H new ATOM 1083 N SER A 78 3.854 -7.350 -2.042 1.00 0.00 N ATOM 1084 CA SER A 78 4.485 -8.547 -1.524 1.00 0.00 C ATOM 1085 C SER A 78 5.885 -8.217 -1.025 1.00 0.00 C ATOM 1086 O SER A 78 6.278 -8.648 0.057 1.00 0.00 O ATOM 1087 CB SER A 78 4.538 -9.608 -2.620 1.00 0.00 C ATOM 1088 OG SER A 78 3.228 -9.898 -3.055 1.00 0.00 O ATOM 0 H SER A 78 3.473 -7.449 -2.983 1.00 0.00 H new ATOM 0 HA SER A 78 3.905 -8.936 -0.687 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.140 -9.253 -3.456 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.016 -10.512 -2.243 1.00 0.00 H new ATOM 0 HG SER A 78 2.640 -10.001 -2.277 1.00 0.00 H new ATOM 1094 N SER A 79 6.638 -7.450 -1.817 1.00 0.00 N ATOM 1095 CA SER A 79 7.986 -7.066 -1.451 1.00 0.00 C ATOM 1096 C SER A 79 7.957 -6.218 -0.188 1.00 0.00 C ATOM 1097 O SER A 79 8.876 -6.279 0.626 1.00 0.00 O ATOM 1098 CB SER A 79 8.626 -6.298 -2.604 1.00 0.00 C ATOM 1099 OG SER A 79 10.029 -6.316 -2.458 1.00 0.00 O ATOM 0 H SER A 79 6.327 -7.086 -2.718 1.00 0.00 H new ATOM 0 HA SER A 79 8.580 -7.958 -1.251 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.343 -6.747 -3.556 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.264 -5.270 -2.616 1.00 0.00 H new ATOM 0 HG SER A 79 10.441 -5.824 -3.199 1.00 0.00 H new ATOM 1105 N MET A 80 6.896 -5.424 -0.024 1.00 0.00 N ATOM 1106 CA MET A 80 6.755 -4.569 1.138 1.00 0.00 C ATOM 1107 C MET A 80 6.602 -5.419 2.391 1.00 0.00 C ATOM 1108 O MET A 80 7.163 -5.096 3.436 1.00 0.00 O ATOM 1109 CB MET A 80 5.546 -3.657 0.953 1.00 0.00 C ATOM 1110 CG MET A 80 5.986 -2.200 1.067 1.00 0.00 C ATOM 1111 SD MET A 80 4.617 -1.016 1.050 1.00 0.00 S ATOM 1112 CE MET A 80 3.681 -1.636 2.469 1.00 0.00 C ATOM 0 H MET A 80 6.124 -5.362 -0.688 1.00 0.00 H new ATOM 0 HA MET A 80 7.647 -3.952 1.250 1.00 0.00 H new ATOM 0 HB2 MET A 80 5.088 -3.835 -0.020 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.790 -3.880 1.706 1.00 0.00 H new ATOM 0 HG2 MET A 80 6.552 -2.073 1.990 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.663 -1.970 0.244 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.208 -0.801 2.986 1.00 0.00 H new ATOM 0 HE2 MET A 80 2.915 -2.330 2.124 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.356 -2.151 3.153 1.00 0.00 H new ATOM 1122 N LEU A 81 5.839 -6.510 2.284 1.00 0.00 N ATOM 1123 CA LEU A 81 5.616 -7.400 3.406 1.00 0.00 C ATOM 1124 C LEU A 81 6.854 -8.252 3.644 1.00 0.00 C ATOM 1125 O LEU A 81 7.277 -8.432 4.784 1.00 0.00 O ATOM 1126 CB LEU A 81 4.401 -8.279 3.122 1.00 0.00 C ATOM 1127 CG LEU A 81 3.762 -8.704 4.441 1.00 0.00 C ATOM 1128 CD1 LEU A 81 2.975 -9.995 4.233 1.00 0.00 C ATOM 1129 CD2 LEU A 81 4.852 -8.935 5.484 1.00 0.00 C ATOM 0 H LEU A 81 5.367 -6.791 1.424 1.00 0.00 H new ATOM 0 HA LEU A 81 5.424 -6.816 4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.679 -7.734 2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.700 -9.158 2.550 1.00 0.00 H new ATOM 0 HG LEU A 81 3.089 -7.920 4.787 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.519 -10.299 5.175 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.196 -9.830 3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.648 -10.779 3.886 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.396 -9.239 6.426 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.526 -9.719 5.138 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.414 -8.013 5.633 1.00 0.00 H new ATOM 1141 N LYS A 82 7.436 -8.777 2.563 1.00 0.00 N ATOM 1142 CA LYS A 82 8.621 -9.605 2.661 1.00 0.00 C ATOM 1143 C LYS A 82 9.687 -8.890 3.480 1.00 0.00 C ATOM 1144 O LYS A 82 10.407 -9.521 4.251 1.00 0.00 O ATOM 1145 CB LYS A 82 9.138 -9.920 1.260 1.00 0.00 C ATOM 1146 CG LYS A 82 8.619 -11.287 0.822 1.00 0.00 C ATOM 1147 CD LYS A 82 7.099 -11.321 0.954 1.00 0.00 C ATOM 1148 CE LYS A 82 6.704 -12.316 2.040 1.00 0.00 C ATOM 1149 NZ LYS A 82 6.846 -13.701 1.565 1.00 0.00 N ATOM 0 H LYS A 82 7.098 -8.638 1.611 1.00 0.00 H new ATOM 0 HA LYS A 82 8.373 -10.540 3.163 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.810 -9.153 0.559 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.228 -9.913 1.253 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.909 -11.484 -0.210 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.065 -12.071 1.434 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.723 -10.328 1.201 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.647 -11.606 0.004 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.328 -12.164 2.921 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.673 -12.136 2.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.092 -14.319 2.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.949 -14.018 1.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.598 -13.747 0.848 1.00 0.00 H new ATOM 1163 N HIS A 83 9.786 -7.570 3.312 1.00 0.00 N ATOM 1164 CA HIS A 83 10.764 -6.781 4.035 1.00 0.00 C ATOM 1165 C HIS A 83 10.518 -6.894 5.533 1.00 0.00 C ATOM 1166 O HIS A 83 11.387 -6.558 6.334 1.00 0.00 O ATOM 1167 CB HIS A 83 10.679 -5.327 3.581 1.00 0.00 C ATOM 1168 CG HIS A 83 12.011 -4.773 3.155 1.00 0.00 C ATOM 1169 ND1 HIS A 83 12.616 -4.962 1.933 1.00 0.00 N ATOM 1170 CD2 HIS A 83 12.840 -3.991 3.913 1.00 0.00 C ATOM 1171 CE1 HIS A 83 13.788 -4.303 1.960 1.00 0.00 C ATOM 1172 NE2 HIS A 83 13.970 -3.695 3.145 1.00 0.00 N ATOM 0 H HIS A 83 9.196 -7.031 2.678 1.00 0.00 H new ATOM 0 HA HIS A 83 11.765 -7.157 3.824 1.00 0.00 H new ATOM 0 HB2 HIS A 83 9.976 -5.250 2.751 1.00 0.00 H new ATOM 0 HB3 HIS A 83 10.281 -4.720 4.394 1.00 0.00 H new ATOM 0 HD2 HIS A 83 12.654 -3.661 4.925 1.00 0.00 H new ATOM 0 HE1 HIS A 83 14.489 -4.267 1.139 1.00 0.00 H new ATOM 0 HE2 HIS A 83 14.772 -3.131 3.427 1.00 0.00 H new ATOM 1180 N GLY A 84 9.328 -7.368 5.910 1.00 0.00 N ATOM 1181 CA GLY A 84 8.979 -7.520 7.308 1.00 0.00 C ATOM 1182 C GLY A 84 8.386 -6.226 7.848 1.00 0.00 C ATOM 1183 O GLY A 84 8.269 -6.050 9.058 1.00 0.00 O ATOM 0 H GLY A 84 8.595 -7.651 5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.262 -8.333 7.425 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.864 -7.790 7.884 1.00 0.00 H new ATOM 1187 N PHE A 85 8.012 -5.317 6.944 1.00 0.00 N ATOM 1188 CA PHE A 85 7.435 -4.046 7.334 1.00 0.00 C ATOM 1189 C PHE A 85 5.958 -4.225 7.653 1.00 0.00 C ATOM 1190 O PHE A 85 5.262 -3.256 7.948 1.00 0.00 O ATOM 1191 CB PHE A 85 7.627 -3.035 6.207 1.00 0.00 C ATOM 1192 CG PHE A 85 8.862 -2.181 6.367 1.00 0.00 C ATOM 1193 CD1 PHE A 85 9.060 -1.450 7.545 1.00 0.00 C ATOM 1194 CD2 PHE A 85 9.810 -2.122 5.339 1.00 0.00 C ATOM 1195 CE1 PHE A 85 10.207 -0.660 7.694 1.00 0.00 C ATOM 1196 CE2 PHE A 85 10.956 -1.332 5.488 1.00 0.00 C ATOM 1197 CZ PHE A 85 11.154 -0.601 6.665 1.00 0.00 C ATOM 0 H PHE A 85 8.102 -5.446 5.936 1.00 0.00 H new ATOM 0 HA PHE A 85 7.936 -3.674 8.228 1.00 0.00 H new ATOM 0 HB2 PHE A 85 7.684 -3.568 5.258 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.751 -2.388 6.157 1.00 0.00 H new ATOM 0 HD1 PHE A 85 8.329 -1.495 8.338 1.00 0.00 H new ATOM 0 HD2 PHE A 85 9.657 -2.686 4.431 1.00 0.00 H new ATOM 0 HE1 PHE A 85 10.361 -0.097 8.603 1.00 0.00 H new ATOM 0 HE2 PHE A 85 11.687 -1.287 4.695 1.00 0.00 H new ATOM 0 HZ PHE A 85 12.038 0.009 6.779 1.00 0.00 H new ATOM 1207 N LEU A 86 5.480 -5.471 7.594 1.00 0.00 N ATOM 1208 CA LEU A 86 4.090 -5.771 7.877 1.00 0.00 C ATOM 1209 C LEU A 86 4.001 -6.814 8.981 1.00 0.00 C ATOM 1210 O LEU A 86 4.971 -7.519 9.252 1.00 0.00 O ATOM 1211 CB LEU A 86 3.410 -6.271 6.605 1.00 0.00 C ATOM 1212 CG LEU A 86 2.522 -5.168 6.037 1.00 0.00 C ATOM 1213 CD1 LEU A 86 2.411 -5.333 4.524 1.00 0.00 C ATOM 1214 CD2 LEU A 86 1.133 -5.259 6.662 1.00 0.00 C ATOM 0 H LEU A 86 6.044 -6.285 7.351 1.00 0.00 H new ATOM 0 HA LEU A 86 3.581 -4.869 8.216 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.160 -6.564 5.870 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.814 -7.157 6.823 1.00 0.00 H new ATOM 0 HG LEU A 86 2.960 -4.196 6.266 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.777 -4.545 4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.403 -5.267 4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.974 -6.305 4.295 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.499 -4.471 6.256 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.695 -6.231 6.435 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.212 -5.141 7.743 1.00 0.00 H new ATOM 1226 N ARG A 87 2.833 -6.911 9.620 1.00 0.00 N ATOM 1227 CA ARG A 87 2.623 -7.864 10.690 1.00 0.00 C ATOM 1228 C ARG A 87 1.452 -8.774 10.348 1.00 0.00 C ATOM 1229 O ARG A 87 0.397 -8.301 9.931 1.00 0.00 O ATOM 1230 CB ARG A 87 2.362 -7.115 11.994 1.00 0.00 C ATOM 1231 CG ARG A 87 3.431 -7.488 13.018 1.00 0.00 C ATOM 1232 CD ARG A 87 4.798 -7.037 12.513 1.00 0.00 C ATOM 1233 NE ARG A 87 5.862 -7.471 13.419 1.00 0.00 N ATOM 1234 CZ ARG A 87 6.416 -8.689 13.357 1.00 0.00 C ATOM 1235 NH1 ARG A 87 6.000 -9.568 12.435 1.00 0.00 N ATOM 1236 NH2 ARG A 87 7.387 -9.028 14.216 1.00 0.00 N ATOM 0 H ARG A 87 2.020 -6.334 9.407 1.00 0.00 H new ATOM 0 HA ARG A 87 3.513 -8.481 10.812 1.00 0.00 H new ATOM 0 HB2 ARG A 87 2.373 -6.040 11.817 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.373 -7.365 12.378 1.00 0.00 H new ATOM 0 HG2 ARG A 87 3.212 -7.017 13.976 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.430 -8.565 13.185 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.974 -7.445 11.518 1.00 0.00 H new ATOM 0 HD3 ARG A 87 4.815 -5.951 12.420 1.00 0.00 H new ATOM 0 HE ARG A 87 6.196 -6.818 14.128 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.262 -9.310 11.781 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.422 -10.495 12.388 1.00 0.00 H new ATOM 0 HH21 ARG A 87 7.704 -8.359 14.917 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.809 -9.955 14.169 1.00 0.00 H new ATOM 1250 N HIS A 88 1.638 -10.084 10.526 1.00 0.00 N ATOM 1251 CA HIS A 88 0.596 -11.048 10.233 1.00 0.00 C ATOM 1252 C HIS A 88 0.519 -12.085 11.346 1.00 0.00 C ATOM 1253 O HIS A 88 1.114 -11.906 12.406 1.00 0.00 O ATOM 1254 CB HIS A 88 0.886 -11.716 8.892 1.00 0.00 C ATOM 1255 CG HIS A 88 2.317 -11.554 8.460 1.00 0.00 C ATOM 1256 ND1 HIS A 88 3.426 -11.662 9.269 1.00 0.00 N ATOM 1257 CD2 HIS A 88 2.751 -11.273 7.193 1.00 0.00 C ATOM 1258 CE1 HIS A 88 4.506 -11.448 8.496 1.00 0.00 C ATOM 1259 NE2 HIS A 88 4.147 -11.207 7.224 1.00 0.00 N ATOM 0 H HIS A 88 2.505 -10.494 10.873 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.366 -10.540 10.172 1.00 0.00 H new ATOM 0 HB2 HIS A 88 0.650 -12.778 8.961 1.00 0.00 H new ATOM 0 HB3 HIS A 88 0.231 -11.293 8.131 1.00 0.00 H new ATOM 0 HD1 HIS A 88 3.428 -11.866 10.268 1.00 0.00 H new ATOM 0 HD2 HIS A 88 2.126 -11.128 6.324 1.00 0.00 H new ATOM 0 HE1 HIS A 88 5.526 -11.467 8.851 1.00 0.00 H new ATOM 1267 N THR A 89 -0.216 -13.172 11.102 1.00 0.00 N ATOM 1268 CA THR A 89 -0.364 -14.227 12.084 1.00 0.00 C ATOM 1269 C THR A 89 0.678 -15.309 11.843 1.00 0.00 C ATOM 1270 O THR A 89 0.755 -16.280 12.593 1.00 0.00 O ATOM 1271 CB THR A 89 -1.774 -14.805 12.000 1.00 0.00 C ATOM 1272 OG1 THR A 89 -1.901 -15.562 10.817 1.00 0.00 O ATOM 1273 CG2 THR A 89 -2.791 -13.668 11.988 1.00 0.00 C ATOM 0 H THR A 89 -0.716 -13.337 10.228 1.00 0.00 H new ATOM 0 HA THR A 89 -0.210 -13.821 13.084 1.00 0.00 H new ATOM 0 HB THR A 89 -1.956 -15.445 12.863 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.806 -15.935 10.763 1.00 0.00 H new ATOM 0 HG21 THR A 89 -3.798 -14.081 11.928 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.693 -13.082 12.902 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.610 -13.027 11.125 1.00 0.00 H new ATOM 1281 N VAL A 90 1.482 -15.141 10.790 1.00 0.00 N ATOM 1282 CA VAL A 90 2.515 -16.100 10.455 1.00 0.00 C ATOM 1283 C VAL A 90 3.808 -15.736 11.169 1.00 0.00 C ATOM 1284 O VAL A 90 3.947 -14.626 11.678 1.00 0.00 O ATOM 1285 CB VAL A 90 2.718 -16.119 8.943 1.00 0.00 C ATOM 1286 CG1 VAL A 90 1.368 -15.986 8.245 1.00 0.00 C ATOM 1287 CG2 VAL A 90 3.617 -14.955 8.537 1.00 0.00 C ATOM 0 H VAL A 90 1.430 -14.343 10.157 1.00 0.00 H new ATOM 0 HA VAL A 90 2.213 -17.095 10.780 1.00 0.00 H new ATOM 0 HB VAL A 90 3.186 -17.059 8.651 1.00 0.00 H new ATOM 0 HG11 VAL A 90 1.514 -16.000 7.165 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.725 -16.817 8.535 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.899 -15.046 8.536 1.00 0.00 H new ATOM 0 HG21 VAL A 90 3.763 -14.967 7.457 1.00 0.00 H new ATOM 0 HG22 VAL A 90 3.149 -14.015 8.829 1.00 0.00 H new ATOM 0 HG23 VAL A 90 4.582 -15.050 9.035 1.00 0.00 H new ATOM 1297 N ASN A 91 4.757 -16.675 11.206 1.00 0.00 N ATOM 1298 CA ASN A 91 6.032 -16.446 11.856 1.00 0.00 C ATOM 1299 C ASN A 91 6.897 -15.536 10.996 1.00 0.00 C ATOM 1300 O ASN A 91 7.127 -14.380 11.346 1.00 0.00 O ATOM 1301 CB ASN A 91 6.726 -17.783 12.096 1.00 0.00 C ATOM 1302 CG ASN A 91 7.321 -17.844 13.496 1.00 0.00 C ATOM 1303 OD1 ASN A 91 8.524 -17.668 13.669 1.00 0.00 O ATOM 1304 ND2 ASN A 91 6.472 -18.091 14.496 1.00 0.00 N ATOM 0 H ASN A 91 4.657 -17.601 10.790 1.00 0.00 H new ATOM 0 HA ASN A 91 5.871 -15.956 12.816 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.012 -18.596 11.964 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.513 -17.927 11.356 1.00 0.00 H new ATOM 0 HD21 ASN A 91 6.815 -18.140 15.455 1.00 0.00 H new ATOM 0 HD22 ASN A 91 5.481 -18.230 14.301 1.00 0.00 H new ATOM 1311 N LYS A 92 7.378 -16.060 9.866 1.00 0.00 N ATOM 1312 CA LYS A 92 8.213 -15.293 8.964 1.00 0.00 C ATOM 1313 C LYS A 92 7.412 -14.146 8.365 1.00 0.00 C ATOM 1314 O LYS A 92 6.877 -13.313 9.093 1.00 0.00 O ATOM 1315 CB LYS A 92 8.749 -16.209 7.867 1.00 0.00 C ATOM 1316 CG LYS A 92 9.477 -17.390 8.501 1.00 0.00 C ATOM 1317 CD LYS A 92 10.926 -17.413 8.021 1.00 0.00 C ATOM 1318 CE LYS A 92 11.755 -18.297 8.948 1.00 0.00 C ATOM 1319 NZ LYS A 92 13.194 -18.077 8.738 1.00 0.00 N ATOM 0 H LYS A 92 7.198 -17.016 9.561 1.00 0.00 H new ATOM 0 HA LYS A 92 9.055 -14.872 9.513 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.929 -16.566 7.244 1.00 0.00 H new ATOM 0 HB3 LYS A 92 9.427 -15.657 7.216 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.444 -17.310 9.588 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.980 -18.323 8.235 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.976 -17.791 7.000 1.00 0.00 H new ATOM 0 HD3 LYS A 92 11.332 -16.401 8.007 1.00 0.00 H new ATOM 0 HE2 LYS A 92 11.498 -18.083 9.986 1.00 0.00 H new ATOM 0 HE3 LYS A 92 11.514 -19.345 8.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 13.736 -18.690 9.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 13.440 -18.304 7.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 13.425 -17.082 8.932 1.00 0.00 H new ATOM 1333 N ILE A 93 7.331 -14.105 7.033 1.00 0.00 N ATOM 1334 CA ILE A 93 6.596 -13.064 6.342 1.00 0.00 C ATOM 1335 C ILE A 93 5.594 -13.691 5.383 1.00 0.00 C ATOM 1336 O ILE A 93 4.446 -13.258 5.312 1.00 0.00 O ATOM 1337 CB ILE A 93 7.574 -12.165 5.591 1.00 0.00 C ATOM 1338 CG1 ILE A 93 8.561 -13.027 4.808 1.00 0.00 C ATOM 1339 CG2 ILE A 93 8.337 -11.298 6.588 1.00 0.00 C ATOM 1340 CD1 ILE A 93 9.609 -13.594 5.761 1.00 0.00 C ATOM 0 H ILE A 93 7.771 -14.788 6.416 1.00 0.00 H new ATOM 0 HA ILE A 93 6.048 -12.459 7.064 1.00 0.00 H new ATOM 0 HB ILE A 93 7.022 -11.526 4.901 1.00 0.00 H new ATOM 0 HG12 ILE A 93 8.033 -13.838 4.306 1.00 0.00 H new ATOM 0 HG13 ILE A 93 9.043 -12.433 4.032 1.00 0.00 H new ATOM 0 HG21 ILE A 93 9.036 -10.656 6.052 1.00 0.00 H new ATOM 0 HG22 ILE A 93 7.633 -10.681 7.147 1.00 0.00 H new ATOM 0 HG23 ILE A 93 8.888 -11.937 7.278 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.314 -14.210 5.202 1.00 0.00 H new ATOM 0 HD12 ILE A 93 10.144 -12.775 6.242 1.00 0.00 H new ATOM 0 HD13 ILE A 93 9.119 -14.203 6.521 1.00 0.00 H new ATOM 1352 N THR A 94 6.029 -14.715 4.645 1.00 0.00 N ATOM 1353 CA THR A 94 5.166 -15.392 3.699 1.00 0.00 C ATOM 1354 C THR A 94 4.011 -14.482 3.306 1.00 0.00 C ATOM 1355 O THR A 94 2.998 -14.424 3.999 1.00 0.00 O ATOM 1356 CB THR A 94 4.646 -16.685 4.321 1.00 0.00 C ATOM 1357 OG1 THR A 94 3.332 -16.929 3.870 1.00 0.00 O ATOM 1358 CG2 THR A 94 4.646 -16.554 5.842 1.00 0.00 C ATOM 0 H THR A 94 6.977 -15.087 4.691 1.00 0.00 H new ATOM 0 HA THR A 94 5.731 -15.636 2.799 1.00 0.00 H new ATOM 0 HB THR A 94 5.290 -17.514 4.028 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.752 -16.185 4.134 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.275 -17.477 6.287 1.00 0.00 H new ATOM 0 HG22 THR A 94 5.661 -16.366 6.191 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.002 -15.725 6.136 1.00 0.00 H new ATOM 1366 N PHE A 95 4.166 -13.769 2.188 1.00 0.00 N ATOM 1367 CA PHE A 95 3.138 -12.867 1.709 1.00 0.00 C ATOM 1368 C PHE A 95 1.835 -13.628 1.511 1.00 0.00 C ATOM 1369 O PHE A 95 1.847 -14.836 1.287 1.00 0.00 O ATOM 1370 CB PHE A 95 3.594 -12.225 0.402 1.00 0.00 C ATOM 1371 CG PHE A 95 2.616 -11.213 -0.146 1.00 0.00 C ATOM 1372 CD1 PHE A 95 2.363 -10.031 0.560 1.00 0.00 C ATOM 1373 CD2 PHE A 95 1.961 -11.458 -1.358 1.00 0.00 C ATOM 1374 CE1 PHE A 95 1.455 -9.094 0.054 1.00 0.00 C ATOM 1375 CE2 PHE A 95 1.053 -10.521 -1.865 1.00 0.00 C ATOM 1376 CZ PHE A 95 0.800 -9.339 -1.159 1.00 0.00 C ATOM 0 H PHE A 95 5.000 -13.805 1.602 1.00 0.00 H new ATOM 0 HA PHE A 95 2.968 -12.081 2.444 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.556 -11.739 0.562 1.00 0.00 H new ATOM 0 HB3 PHE A 95 3.751 -13.006 -0.342 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.869 -9.842 1.495 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.156 -12.370 -1.902 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.260 -8.182 0.599 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.548 -10.710 -2.801 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.099 -8.616 -1.550 1.00 0.00 H new ATOM 1386 N SER A 96 0.708 -12.917 1.594 1.00 0.00 N ATOM 1387 CA SER A 96 -0.595 -13.528 1.423 1.00 0.00 C ATOM 1388 C SER A 96 -1.526 -12.566 0.698 1.00 0.00 C ATOM 1389 O SER A 96 -1.901 -12.806 -0.447 1.00 0.00 O ATOM 1390 CB SER A 96 -1.163 -13.906 2.788 1.00 0.00 C ATOM 1391 OG SER A 96 -0.756 -15.214 3.120 1.00 0.00 O ATOM 0 H SER A 96 0.681 -11.914 1.780 1.00 0.00 H new ATOM 0 HA SER A 96 -0.500 -14.432 0.821 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.817 -13.203 3.545 1.00 0.00 H new ATOM 0 HB3 SER A 96 -2.251 -13.846 2.770 1.00 0.00 H new ATOM 0 HG SER A 96 0.090 -15.418 2.670 1.00 0.00 H new ATOM 1397 N GLU A 97 -1.898 -11.474 1.369 1.00 0.00 N ATOM 1398 CA GLU A 97 -2.780 -10.484 0.785 1.00 0.00 C ATOM 1399 C GLU A 97 -4.160 -11.085 0.561 1.00 0.00 C ATOM 1400 O GLU A 97 -4.686 -11.043 -0.549 1.00 0.00 O ATOM 1401 CB GLU A 97 -2.186 -9.989 -0.531 1.00 0.00 C ATOM 1402 CG GLU A 97 -3.144 -8.995 -1.181 1.00 0.00 C ATOM 1403 CD GLU A 97 -3.737 -9.569 -2.460 1.00 0.00 C ATOM 1404 OE1 GLU A 97 -3.157 -10.556 -2.961 1.00 0.00 O ATOM 1405 OE2 GLU A 97 -4.759 -9.009 -2.912 1.00 0.00 O ATOM 0 H GLU A 97 -1.596 -11.260 2.320 1.00 0.00 H new ATOM 0 HA GLU A 97 -2.882 -9.638 1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -1.221 -9.515 -0.351 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.008 -10.830 -1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -3.944 -8.746 -0.484 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -2.616 -8.068 -1.404 1.00 0.00 H new ATOM 1413 N GLN A 98 -4.747 -11.645 1.621 1.00 0.00 N ATOM 1414 CA GLN A 98 -6.061 -12.251 1.536 1.00 0.00 C ATOM 1415 C GLN A 98 -6.798 -12.074 2.855 1.00 0.00 C ATOM 1416 O GLN A 98 -7.964 -11.684 2.870 1.00 0.00 O ATOM 1417 CB GLN A 98 -5.915 -13.730 1.191 1.00 0.00 C ATOM 1418 CG GLN A 98 -6.777 -14.058 -0.025 1.00 0.00 C ATOM 1419 CD GLN A 98 -8.253 -14.072 0.345 1.00 0.00 C ATOM 1420 OE1 GLN A 98 -8.643 -14.698 1.328 1.00 0.00 O ATOM 1421 NE2 GLN A 98 -9.075 -13.380 -0.448 1.00 0.00 N ATOM 0 H GLN A 98 -4.324 -11.687 2.548 1.00 0.00 H new ATOM 0 HA GLN A 98 -6.641 -11.764 0.752 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.871 -13.964 0.983 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.217 -14.344 2.040 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.601 -13.322 -0.810 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.490 -15.029 -0.429 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -8.703 -12.876 -1.253 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -10.075 -13.355 -0.249 1.00 0.00 H new ATOM 1430 N CYS A 99 -6.114 -12.362 3.965 1.00 0.00 N ATOM 1431 CA CYS A 99 -6.700 -12.235 5.284 1.00 0.00 C ATOM 1432 C CYS A 99 -6.690 -10.773 5.707 1.00 0.00 C ATOM 1433 O CYS A 99 -6.895 -9.886 4.882 1.00 0.00 O ATOM 1434 CB CYS A 99 -5.916 -13.091 6.274 1.00 0.00 C ATOM 1435 SG CYS A 99 -7.038 -13.641 7.584 1.00 0.00 S ATOM 0 H CYS A 99 -5.147 -12.686 3.966 1.00 0.00 H new ATOM 0 HA CYS A 99 -7.733 -12.583 5.266 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -5.478 -13.950 5.766 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -5.092 -12.518 6.699 1.00 0.00 H new ATOM 0 HG CYS A 99 -7.811 -12.657 7.935 1.00 0.00 H new ATOM 1441 N TYR A 100 -6.452 -10.522 6.997 1.00 0.00 N ATOM 1442 CA TYR A 100 -6.419 -9.171 7.518 1.00 0.00 C ATOM 1443 C TYR A 100 -5.206 -8.995 8.421 1.00 0.00 C ATOM 1444 O TYR A 100 -5.141 -9.582 9.498 1.00 0.00 O ATOM 1445 CB TYR A 100 -7.709 -8.892 8.285 1.00 0.00 C ATOM 1446 CG TYR A 100 -8.132 -10.027 9.186 1.00 0.00 C ATOM 1447 CD1 TYR A 100 -8.919 -11.068 8.678 1.00 0.00 C ATOM 1448 CD2 TYR A 100 -7.737 -10.039 10.529 1.00 0.00 C ATOM 1449 CE1 TYR A 100 -9.311 -12.121 9.513 1.00 0.00 C ATOM 1450 CE2 TYR A 100 -8.129 -11.093 11.364 1.00 0.00 C ATOM 1451 CZ TYR A 100 -8.916 -12.133 10.856 1.00 0.00 C ATOM 1452 OH TYR A 100 -9.298 -13.159 11.670 1.00 0.00 O ATOM 0 H TYR A 100 -6.280 -11.246 7.695 1.00 0.00 H new ATOM 0 HA TYR A 100 -6.339 -8.461 6.695 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -7.578 -7.992 8.885 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -8.508 -8.687 7.573 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -9.224 -11.058 7.642 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -7.130 -9.236 10.921 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -9.918 -12.924 9.121 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -7.824 -11.103 12.400 1.00 0.00 H new ATOM 0 HH TYR A 100 -8.938 -13.014 12.570 1.00 0.00 H new ATOM 1462 N TYR A 101 -4.244 -8.182 7.978 1.00 0.00 N ATOM 1463 CA TYR A 101 -3.040 -7.936 8.747 1.00 0.00 C ATOM 1464 C TYR A 101 -2.950 -6.460 9.105 1.00 0.00 C ATOM 1465 O TYR A 101 -3.859 -5.689 8.806 1.00 0.00 O ATOM 1466 CB TYR A 101 -1.823 -8.372 7.936 1.00 0.00 C ATOM 1467 CG TYR A 101 -1.749 -9.864 7.714 1.00 0.00 C ATOM 1468 CD1 TYR A 101 -2.570 -10.723 8.455 1.00 0.00 C ATOM 1469 CD2 TYR A 101 -0.860 -10.387 6.768 1.00 0.00 C ATOM 1470 CE1 TYR A 101 -2.501 -12.106 8.249 1.00 0.00 C ATOM 1471 CE2 TYR A 101 -0.792 -11.771 6.562 1.00 0.00 C ATOM 1472 CZ TYR A 101 -1.612 -12.630 7.302 1.00 0.00 C ATOM 1473 OH TYR A 101 -1.546 -13.977 7.102 1.00 0.00 O ATOM 0 H TYR A 101 -4.284 -7.686 7.088 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.069 -8.512 9.672 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -1.842 -7.869 6.969 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -0.919 -8.044 8.448 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.256 -10.319 9.185 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -0.227 -9.724 6.197 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -3.134 -12.769 8.821 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.106 -12.175 5.832 1.00 0.00 H new ATOM 0 HH TYR A 101 -0.880 -14.173 6.410 1.00 0.00 H new ATOM 1483 N VAL A 102 -1.847 -6.067 9.748 1.00 0.00 N ATOM 1484 CA VAL A 102 -1.643 -4.688 10.143 1.00 0.00 C ATOM 1485 C VAL A 102 -0.155 -4.368 10.145 1.00 0.00 C ATOM 1486 O VAL A 102 0.653 -5.168 10.611 1.00 0.00 O ATOM 1487 CB VAL A 102 -2.247 -4.461 11.526 1.00 0.00 C ATOM 1488 CG1 VAL A 102 -1.153 -4.018 12.493 1.00 0.00 C ATOM 1489 CG2 VAL A 102 -3.320 -3.379 11.441 1.00 0.00 C ATOM 0 H VAL A 102 -1.084 -6.694 10.003 1.00 0.00 H new ATOM 0 HA VAL A 102 -2.137 -4.025 9.433 1.00 0.00 H new ATOM 0 HB VAL A 102 -2.694 -5.389 11.884 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -1.584 -3.856 13.481 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -0.387 -4.791 12.554 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -0.705 -3.091 12.136 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -3.752 -3.216 12.429 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -2.874 -2.451 11.083 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.102 -3.695 10.751 1.00 0.00 H new ATOM 1499 N PHE A 103 0.206 -3.193 9.623 1.00 0.00 N ATOM 1500 CA PHE A 103 1.592 -2.776 9.568 1.00 0.00 C ATOM 1501 C PHE A 103 2.323 -3.251 10.816 1.00 0.00 C ATOM 1502 O PHE A 103 1.698 -3.523 11.839 1.00 0.00 O ATOM 1503 CB PHE A 103 1.661 -1.257 9.446 1.00 0.00 C ATOM 1504 CG PHE A 103 0.976 -0.529 10.579 1.00 0.00 C ATOM 1505 CD1 PHE A 103 1.684 -0.233 11.749 1.00 0.00 C ATOM 1506 CD2 PHE A 103 -0.367 -0.154 10.459 1.00 0.00 C ATOM 1507 CE1 PHE A 103 1.049 0.439 12.800 1.00 0.00 C ATOM 1508 CE2 PHE A 103 -1.002 0.519 11.510 1.00 0.00 C ATOM 1509 CZ PHE A 103 -0.294 0.815 12.681 1.00 0.00 C ATOM 0 H PHE A 103 -0.452 -2.518 9.233 1.00 0.00 H new ATOM 0 HA PHE A 103 2.075 -3.219 8.697 1.00 0.00 H new ATOM 0 HB2 PHE A 103 2.706 -0.951 9.407 1.00 0.00 H new ATOM 0 HB3 PHE A 103 1.205 -0.955 8.503 1.00 0.00 H new ATOM 0 HD1 PHE A 103 2.720 -0.523 11.841 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -0.913 -0.384 9.556 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.596 0.667 13.703 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -2.038 0.810 11.417 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.784 1.333 13.492 1.00 0.00 H new ATOM 1519 N GLY A 104 3.652 -3.352 10.731 1.00 0.00 N ATOM 1520 CA GLY A 104 4.455 -3.793 11.854 1.00 0.00 C ATOM 1521 C GLY A 104 5.580 -2.802 12.119 1.00 0.00 C ATOM 1522 O GLY A 104 5.528 -1.663 11.661 1.00 0.00 O ATOM 0 H GLY A 104 4.187 -3.132 9.891 1.00 0.00 H new ATOM 0 HA2 GLY A 104 3.830 -3.890 12.741 1.00 0.00 H new ATOM 0 HA3 GLY A 104 4.871 -4.779 11.648 1.00 0.00 H new ATOM 1526 N ASP A 105 6.599 -3.239 12.863 1.00 0.00 N ATOM 1527 CA ASP A 105 7.728 -2.390 13.187 1.00 0.00 C ATOM 1528 C ASP A 105 8.942 -3.250 13.508 1.00 0.00 C ATOM 1529 O ASP A 105 8.945 -3.977 14.499 1.00 0.00 O ATOM 1530 CB ASP A 105 7.369 -1.497 14.370 1.00 0.00 C ATOM 1531 CG ASP A 105 6.962 -2.330 15.577 1.00 0.00 C ATOM 1532 OD1 ASP A 105 7.763 -2.368 16.536 1.00 0.00 O ATOM 1533 OD2 ASP A 105 5.858 -2.914 15.518 1.00 0.00 O ATOM 0 H ASP A 105 6.657 -4.181 13.250 1.00 0.00 H new ATOM 0 HA ASP A 105 7.971 -1.757 12.333 1.00 0.00 H new ATOM 0 HB2 ASP A 105 8.221 -0.869 14.628 1.00 0.00 H new ATOM 0 HB3 ASP A 105 6.553 -0.830 14.092 1.00 0.00 H new