USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 973 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 Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 13 ASN : amide:sc= -10.2! C(o=-10!,f=-21!) USER MOD Single : A 15 ASN : amide:sc= -0.237 X(o=-0.24,f=-0.64) USER MOD Single : A 16 ASN : amide:sc= -2.73! C(o=-2.7!,f=-2.2!) USER MOD Single : A 21 THR OG1 : rot 20:sc= 1.01 USER MOD Single : A 31 ASN : amide:sc= -1.76 K(o=-1.8,f=-0.98) USER MOD Single : A 32 LYS NZ :NH3+ -176:sc= -0.0374 (180deg=-0.0871) USER MOD Single : A 39 LYS NZ :NH3+ -134:sc= -0.393 (180deg=-1.48!) USER MOD Single : A 42 MET CE :methyl -140:sc= -0.498 (180deg=-1.81!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0623 USER MOD Single : A 48 GLN : amide:sc= -0.0874 X(o=-0.087,f=-0.087) USER MOD Single : A 55 GLN : amide:sc= -0.0014 X(o=-0.0014,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0209 USER MOD Single : A 63 GLN : amide:sc= -0.281 K(o=-0.28,f=-3.6!) USER MOD Single : A 64 HIS : no HE2:sc= -18.5! C(o=-19!,f=-24!) USER MOD Single : A 66 SER OG : rot 180:sc= -0.416 USER MOD Single : A 70 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.109) USER MOD Single : A 73 TYR OH : rot 180:sc= -2.07! USER MOD Single : A 79 HIS : no HD1:sc= -1.96 K(o=-2,f=-0.36) USER MOD Single : A 81 THR OG1 : rot -140:sc= -0.922 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.0684 K(o=-0.068,f=-1.1) USER MOD Single : A 105 MET CE :methyl -149:sc= 0 (180deg=-0.11) USER MOD Single : A 106 SER OG : rot 79:sc= 0.00412 USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 ASN : amide:sc= -5.24! C(o=-5.2!,f=-3.4!) USER MOD Single : A 125 LYS NZ :NH3+ -148:sc= 0.0757 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -21.427 -4.297 -3.962 1.00 0.00 N ATOM 21 CA LYS A 2 -20.362 -4.225 -4.955 1.00 0.00 C ATOM 22 C LYS A 2 -19.005 -4.512 -4.318 1.00 0.00 C ATOM 23 O LYS A 2 -18.432 -3.657 -3.643 1.00 0.00 O ATOM 24 CB LYS A 2 -20.345 -2.846 -5.617 1.00 0.00 C ATOM 25 CG LYS A 2 -19.738 -2.848 -7.010 1.00 0.00 C ATOM 26 CD LYS A 2 -20.604 -3.616 -7.995 1.00 0.00 C ATOM 27 CE LYS A 2 -20.440 -3.088 -9.411 1.00 0.00 C ATOM 28 NZ LYS A 2 -21.459 -2.053 -9.740 1.00 0.00 N ATOM 0 HA LYS A 2 -20.556 -4.983 -5.714 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -21.365 -2.467 -5.675 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -19.784 -2.156 -4.986 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.615 -1.822 -7.356 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -18.744 -3.293 -6.974 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -20.339 -4.673 -7.967 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -21.650 -3.541 -7.697 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -19.442 -2.665 -9.527 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -20.520 -3.914 -10.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -21.313 -1.719 -10.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -22.411 -2.463 -9.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -21.366 -1.253 -9.082 1.00 0.00 H new ATOM 42 N LYS A 3 -18.498 -5.721 -4.537 1.00 0.00 N ATOM 43 CA LYS A 3 -17.209 -6.120 -3.985 1.00 0.00 C ATOM 44 C LYS A 3 -16.068 -5.371 -4.666 1.00 0.00 C ATOM 45 O LYS A 3 -16.019 -5.278 -5.893 1.00 0.00 O ATOM 46 CB LYS A 3 -17.009 -7.629 -4.142 1.00 0.00 C ATOM 47 CG LYS A 3 -17.130 -8.113 -5.578 1.00 0.00 C ATOM 48 CD LYS A 3 -18.503 -8.707 -5.852 1.00 0.00 C ATOM 49 CE LYS A 3 -18.474 -10.226 -5.800 1.00 0.00 C ATOM 50 NZ LYS A 3 -19.352 -10.835 -6.837 1.00 0.00 N ATOM 0 H LYS A 3 -18.960 -6.441 -5.093 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.203 -5.867 -2.925 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.025 -7.898 -3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.744 -8.150 -3.529 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -16.949 -7.282 -6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -16.362 -8.861 -5.777 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -19.216 -8.330 -5.119 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -18.852 -8.382 -6.832 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -17.451 -10.574 -5.941 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -18.792 -10.561 -4.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -19.304 -11.872 -6.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -20.333 -10.523 -6.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -19.033 -10.536 -7.781 1.00 0.00 H new ATOM 64 N LEU A 4 -15.154 -4.838 -3.862 1.00 0.00 N ATOM 65 CA LEU A 4 -14.014 -4.097 -4.388 1.00 0.00 C ATOM 66 C LEU A 4 -12.710 -4.593 -3.769 1.00 0.00 C ATOM 67 O LEU A 4 -12.655 -4.903 -2.580 1.00 0.00 O ATOM 68 CB LEU A 4 -14.186 -2.600 -4.122 1.00 0.00 C ATOM 69 CG LEU A 4 -14.535 -2.236 -2.679 1.00 0.00 C ATOM 70 CD1 LEU A 4 -13.272 -1.963 -1.880 1.00 0.00 C ATOM 71 CD2 LEU A 4 -15.462 -1.030 -2.644 1.00 0.00 C ATOM 0 H LEU A 4 -15.181 -4.905 -2.845 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.968 -4.263 -5.464 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.263 -2.089 -4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.969 -2.218 -4.777 1.00 0.00 H new ATOM 0 HG LEU A 4 -15.053 -3.081 -2.225 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.538 -1.705 -0.855 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.643 -2.853 -1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.727 -1.134 -2.332 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -15.701 -0.784 -1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.970 -0.179 -3.115 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.381 -1.262 -3.183 1.00 0.00 H new ATOM 83 N GLN A 5 -11.668 -4.677 -4.586 1.00 0.00 N ATOM 84 CA GLN A 5 -10.365 -5.147 -4.126 1.00 0.00 C ATOM 85 C GLN A 5 -9.357 -4.011 -4.024 1.00 0.00 C ATOM 86 O GLN A 5 -9.406 -3.043 -4.783 1.00 0.00 O ATOM 87 CB GLN A 5 -9.821 -6.219 -5.067 1.00 0.00 C ATOM 88 CG GLN A 5 -10.890 -7.158 -5.587 1.00 0.00 C ATOM 89 CD GLN A 5 -10.339 -8.216 -6.522 1.00 0.00 C ATOM 90 OE1 GLN A 5 -10.579 -8.181 -7.729 1.00 0.00 O ATOM 91 NE2 GLN A 5 -9.595 -9.167 -5.968 1.00 0.00 N ATOM 0 H GLN A 5 -11.699 -4.425 -5.574 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.510 -5.568 -3.131 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.329 -5.736 -5.911 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.060 -6.799 -4.545 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.381 -7.645 -4.744 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.652 -6.580 -6.109 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.421 -9.158 -4.963 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.198 -9.906 -6.548 1.00 0.00 H new ATOM 100 N ILE A 6 -8.434 -4.159 -3.087 1.00 0.00 N ATOM 101 CA ILE A 6 -7.380 -3.177 -2.867 1.00 0.00 C ATOM 102 C ILE A 6 -6.078 -3.881 -2.503 1.00 0.00 C ATOM 103 O ILE A 6 -6.027 -4.646 -1.540 1.00 0.00 O ATOM 104 CB ILE A 6 -7.736 -2.166 -1.747 1.00 0.00 C ATOM 105 CG1 ILE A 6 -9.083 -2.505 -1.091 1.00 0.00 C ATOM 106 CG2 ILE A 6 -7.754 -0.754 -2.306 1.00 0.00 C ATOM 107 CD1 ILE A 6 -10.287 -2.157 -1.939 1.00 0.00 C ATOM 0 H ILE A 6 -8.393 -4.961 -2.458 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.267 -2.621 -3.798 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.969 -2.232 -0.975 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.107 -3.571 -0.865 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.156 -1.976 -0.141 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.005 -0.051 -1.511 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.771 -0.510 -2.709 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.499 -0.686 -3.099 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.198 -2.427 -1.405 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.290 -1.086 -2.144 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.241 -2.706 -2.879 1.00 0.00 H new ATOM 119 N ALA A 7 -5.025 -3.620 -3.272 1.00 0.00 N ATOM 120 CA ALA A 7 -3.729 -4.237 -3.009 1.00 0.00 C ATOM 121 C ALA A 7 -2.666 -3.171 -2.850 1.00 0.00 C ATOM 122 O ALA A 7 -2.486 -2.344 -3.732 1.00 0.00 O ATOM 123 CB ALA A 7 -3.354 -5.185 -4.138 1.00 0.00 C ATOM 0 H ALA A 7 -5.042 -2.991 -4.075 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.798 -4.808 -2.083 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.385 -5.637 -3.927 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.109 -5.967 -4.222 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.299 -4.631 -5.075 1.00 0.00 H new ATOM 129 N VAL A 8 -1.962 -3.190 -1.727 1.00 0.00 N ATOM 130 CA VAL A 8 -0.927 -2.199 -1.472 1.00 0.00 C ATOM 131 C VAL A 8 0.452 -2.832 -1.352 1.00 0.00 C ATOM 132 O VAL A 8 0.592 -4.006 -1.012 1.00 0.00 O ATOM 133 CB VAL A 8 -1.244 -1.364 -0.202 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.235 -2.090 0.697 1.00 0.00 C ATOM 135 CG2 VAL A 8 0.019 -1.014 0.578 1.00 0.00 C ATOM 0 H VAL A 8 -2.087 -3.876 -0.983 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.916 -1.532 -2.334 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.697 -0.432 -0.539 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.439 -1.483 1.579 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.163 -2.261 0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.813 -3.047 1.005 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.247 -0.430 1.459 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.520 -1.931 0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.688 -0.431 -0.055 1.00 0.00 H new ATOM 145 N GLY A 9 1.465 -2.020 -1.622 1.00 0.00 N ATOM 146 CA GLY A 9 2.838 -2.467 -1.536 1.00 0.00 C ATOM 147 C GLY A 9 3.717 -1.413 -0.900 1.00 0.00 C ATOM 148 O GLY A 9 3.982 -0.371 -1.502 1.00 0.00 O ATOM 0 H GLY A 9 1.355 -1.046 -1.903 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.888 -3.386 -0.953 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.210 -2.701 -2.533 1.00 0.00 H new ATOM 152 N ILE A 10 4.164 -1.675 0.318 1.00 0.00 N ATOM 153 CA ILE A 10 5.014 -0.726 1.034 1.00 0.00 C ATOM 154 C ILE A 10 6.397 -0.676 0.397 1.00 0.00 C ATOM 155 O ILE A 10 7.217 -1.567 0.610 1.00 0.00 O ATOM 156 CB ILE A 10 5.153 -1.069 2.539 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.040 -2.019 3.005 1.00 0.00 C ATOM 158 CG2 ILE A 10 5.131 0.210 3.363 1.00 0.00 C ATOM 159 CD1 ILE A 10 3.995 -2.218 4.505 1.00 0.00 C ATOM 0 H ILE A 10 3.956 -2.531 0.833 1.00 0.00 H new ATOM 0 HA ILE A 10 4.530 0.248 0.961 1.00 0.00 H new ATOM 0 HB ILE A 10 6.106 -1.578 2.684 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.079 -1.629 2.671 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.176 -2.987 2.523 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.229 -0.037 4.420 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.959 0.851 3.062 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.189 0.733 3.198 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.184 -2.901 4.757 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.942 -2.638 4.845 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.827 -1.259 4.994 1.00 0.00 H new ATOM 171 N ILE A 11 6.641 0.362 -0.402 1.00 0.00 N ATOM 172 CA ILE A 11 7.919 0.511 -1.096 1.00 0.00 C ATOM 173 C ILE A 11 9.047 0.877 -0.140 1.00 0.00 C ATOM 174 O ILE A 11 8.970 1.869 0.585 1.00 0.00 O ATOM 175 CB ILE A 11 7.859 1.575 -2.212 1.00 0.00 C ATOM 176 CG1 ILE A 11 6.467 1.623 -2.851 1.00 0.00 C ATOM 177 CG2 ILE A 11 8.919 1.280 -3.264 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.432 2.370 -4.168 1.00 0.00 C ATOM 0 H ILE A 11 5.972 1.110 -0.584 1.00 0.00 H new ATOM 0 HA ILE A 11 8.122 -0.463 -1.542 1.00 0.00 H new ATOM 0 HB ILE A 11 8.058 2.552 -1.771 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.114 0.604 -3.011 1.00 0.00 H new ATOM 0 HG13 ILE A 11 5.773 2.095 -2.156 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.872 2.034 -4.049 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.906 1.299 -2.801 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.739 0.295 -3.695 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.416 2.364 -4.563 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.754 3.399 -4.011 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.101 1.885 -4.879 1.00 0.00 H new ATOM 190 N ARG A 12 10.099 0.064 -0.156 1.00 0.00 N ATOM 191 CA ARG A 12 11.261 0.284 0.700 1.00 0.00 C ATOM 192 C ARG A 12 12.360 1.026 -0.049 1.00 0.00 C ATOM 193 O ARG A 12 12.643 0.732 -1.214 1.00 0.00 O ATOM 194 CB ARG A 12 11.805 -1.049 1.216 1.00 0.00 C ATOM 195 CG ARG A 12 11.380 -1.366 2.638 1.00 0.00 C ATOM 196 CD ARG A 12 12.577 -1.462 3.572 1.00 0.00 C ATOM 197 NE ARG A 12 12.988 -2.846 3.796 1.00 0.00 N ATOM 198 CZ ARG A 12 12.354 -3.685 4.611 1.00 0.00 C ATOM 199 NH1 ARG A 12 11.282 -3.285 5.284 1.00 0.00 N ATOM 200 NH2 ARG A 12 12.794 -4.928 4.756 1.00 0.00 N ATOM 0 H ARG A 12 10.171 -0.758 -0.756 1.00 0.00 H new ATOM 0 HA ARG A 12 10.940 0.894 1.544 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.468 -1.849 0.557 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.894 -1.032 1.166 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.700 -0.593 2.996 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.830 -2.307 2.653 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.411 -0.900 3.151 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.330 -0.998 4.527 1.00 0.00 H new ATOM 0 HE ARG A 12 13.809 -3.189 3.298 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.940 -2.330 5.178 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.800 -3.933 5.907 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.618 -5.240 4.243 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.308 -5.571 5.381 1.00 0.00 H new ATOM 214 N ASN A 13 12.973 1.987 0.636 1.00 0.00 N ATOM 215 CA ASN A 13 14.045 2.792 0.053 1.00 0.00 C ATOM 216 C ASN A 13 15.430 2.237 0.384 1.00 0.00 C ATOM 217 O ASN A 13 15.567 1.152 0.950 1.00 0.00 O ATOM 218 CB ASN A 13 13.952 4.244 0.526 1.00 0.00 C ATOM 219 CG ASN A 13 13.623 4.358 1.995 1.00 0.00 C ATOM 220 OD1 ASN A 13 14.443 4.025 2.850 1.00 0.00 O ATOM 221 ND2 ASN A 13 12.414 4.821 2.293 1.00 0.00 N ATOM 0 H ASN A 13 12.745 2.229 1.600 1.00 0.00 H new ATOM 0 HA ASN A 13 13.914 2.751 -1.028 1.00 0.00 H new ATOM 0 HB2 ASN A 13 14.899 4.747 0.330 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.189 4.763 -0.054 1.00 0.00 H new ATOM 0 HD21 ASN A 13 12.129 4.914 3.268 1.00 0.00 H new ATOM 0 HD22 ASN A 13 11.770 5.084 1.547 1.00 0.00 H new ATOM 228 N GLU A 14 16.447 3.000 -0.002 1.00 0.00 N ATOM 229 CA GLU A 14 17.844 2.631 0.205 1.00 0.00 C ATOM 230 C GLU A 14 18.291 2.767 1.664 1.00 0.00 C ATOM 231 O GLU A 14 19.439 2.466 1.989 1.00 0.00 O ATOM 232 CB GLU A 14 18.716 3.525 -0.679 1.00 0.00 C ATOM 233 CG GLU A 14 20.211 3.335 -0.471 1.00 0.00 C ATOM 234 CD GLU A 14 21.033 3.876 -1.625 1.00 0.00 C ATOM 235 OE1 GLU A 14 21.076 5.112 -1.794 1.00 0.00 O ATOM 236 OE2 GLU A 14 21.633 3.063 -2.359 1.00 0.00 O ATOM 0 H GLU A 14 16.325 3.898 -0.470 1.00 0.00 H new ATOM 0 HA GLU A 14 17.952 1.579 -0.059 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.477 3.328 -1.724 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.463 4.567 -0.485 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.512 3.834 0.450 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.425 2.274 -0.344 1.00 0.00 H new ATOM 243 N ASN A 15 17.406 3.231 2.537 1.00 0.00 N ATOM 244 CA ASN A 15 17.759 3.407 3.945 1.00 0.00 C ATOM 245 C ASN A 15 16.862 2.577 4.855 1.00 0.00 C ATOM 246 O ASN A 15 16.428 3.046 5.907 1.00 0.00 O ATOM 247 CB ASN A 15 17.669 4.884 4.331 1.00 0.00 C ATOM 248 CG ASN A 15 18.375 5.183 5.639 1.00 0.00 C ATOM 249 OD1 ASN A 15 19.493 4.723 5.874 1.00 0.00 O ATOM 250 ND2 ASN A 15 17.725 5.958 6.499 1.00 0.00 N ATOM 0 H ASN A 15 16.448 3.491 2.302 1.00 0.00 H new ATOM 0 HA ASN A 15 18.784 3.060 4.076 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.106 5.491 3.538 1.00 0.00 H new ATOM 0 HB3 ASN A 15 16.621 5.172 4.413 1.00 0.00 H new ATOM 0 HD21 ASN A 15 18.151 6.194 7.395 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.800 6.318 6.263 1.00 0.00 H new ATOM 257 N ASN A 16 16.579 1.344 4.442 1.00 0.00 N ATOM 258 CA ASN A 16 15.723 0.446 5.219 1.00 0.00 C ATOM 259 C ASN A 16 14.448 1.155 5.674 1.00 0.00 C ATOM 260 O ASN A 16 13.810 0.749 6.646 1.00 0.00 O ATOM 261 CB ASN A 16 16.483 -0.117 6.426 1.00 0.00 C ATOM 262 CG ASN A 16 16.753 0.927 7.492 1.00 0.00 C ATOM 263 OD1 ASN A 16 15.850 1.328 8.227 1.00 0.00 O ATOM 264 ND2 ASN A 16 18.000 1.373 7.583 1.00 0.00 N ATOM 0 H ASN A 16 16.930 0.942 3.573 1.00 0.00 H new ATOM 0 HA ASN A 16 15.436 -0.383 4.572 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.908 -0.934 6.862 1.00 0.00 H new ATOM 0 HB3 ASN A 16 17.430 -0.538 6.089 1.00 0.00 H new ATOM 0 HD21 ASN A 16 18.241 2.075 8.282 1.00 0.00 H new ATOM 0 HD22 ASN A 16 18.717 1.013 6.954 1.00 0.00 H new ATOM 271 N GLU A 17 14.077 2.204 4.948 1.00 0.00 N ATOM 272 CA GLU A 17 12.875 2.965 5.245 1.00 0.00 C ATOM 273 C GLU A 17 11.862 2.731 4.134 1.00 0.00 C ATOM 274 O GLU A 17 12.224 2.272 3.054 1.00 0.00 O ATOM 275 CB GLU A 17 13.196 4.457 5.390 1.00 0.00 C ATOM 276 CG GLU A 17 14.084 4.776 6.582 1.00 0.00 C ATOM 277 CD GLU A 17 13.785 6.134 7.187 1.00 0.00 C ATOM 278 OE1 GLU A 17 13.206 6.984 6.478 1.00 0.00 O ATOM 279 OE2 GLU A 17 14.130 6.347 8.368 1.00 0.00 O ATOM 0 H GLU A 17 14.600 2.547 4.142 1.00 0.00 H new ATOM 0 HA GLU A 17 12.456 2.631 6.194 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.685 4.805 4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.263 5.013 5.483 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.954 4.007 7.343 1.00 0.00 H new ATOM 0 HG3 GLU A 17 15.128 4.743 6.271 1.00 0.00 H new ATOM 286 N ILE A 18 10.595 3.009 4.395 1.00 0.00 N ATOM 287 CA ILE A 18 9.562 2.782 3.392 1.00 0.00 C ATOM 288 C ILE A 18 8.867 4.079 2.977 1.00 0.00 C ATOM 289 O ILE A 18 8.625 4.963 3.800 1.00 0.00 O ATOM 290 CB ILE A 18 8.532 1.751 3.909 1.00 0.00 C ATOM 291 CG1 ILE A 18 8.391 0.588 2.927 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.178 2.395 4.175 1.00 0.00 C ATOM 293 CD1 ILE A 18 8.258 -0.759 3.604 1.00 0.00 C ATOM 0 H ILE A 18 10.258 3.387 5.280 1.00 0.00 H new ATOM 0 HA ILE A 18 10.050 2.383 2.503 1.00 0.00 H new ATOM 0 HB ILE A 18 8.905 1.362 4.857 1.00 0.00 H new ATOM 0 HG12 ILE A 18 7.517 0.758 2.298 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.260 0.571 2.269 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.481 1.640 4.537 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.288 3.177 4.927 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.795 2.830 3.252 1.00 0.00 H new ATOM 0 HD11 ILE A 18 8.162 -1.538 2.848 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.143 -0.950 4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.373 -0.760 4.241 1.00 0.00 H new ATOM 305 N PHE A 19 8.551 4.175 1.688 1.00 0.00 N ATOM 306 CA PHE A 19 7.884 5.349 1.136 1.00 0.00 C ATOM 307 C PHE A 19 6.380 5.106 1.017 1.00 0.00 C ATOM 308 O PHE A 19 5.939 4.238 0.265 1.00 0.00 O ATOM 309 CB PHE A 19 8.495 5.688 -0.233 1.00 0.00 C ATOM 310 CG PHE A 19 7.554 6.351 -1.207 1.00 0.00 C ATOM 311 CD1 PHE A 19 6.667 5.595 -1.958 1.00 0.00 C ATOM 312 CD2 PHE A 19 7.572 7.724 -1.380 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.812 6.199 -2.861 1.00 0.00 C ATOM 314 CE2 PHE A 19 6.720 8.333 -2.284 1.00 0.00 C ATOM 315 CZ PHE A 19 5.839 7.570 -3.023 1.00 0.00 C ATOM 0 H PHE A 19 8.749 3.447 1.002 1.00 0.00 H new ATOM 0 HA PHE A 19 8.031 6.195 1.808 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.353 6.342 -0.079 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.871 4.769 -0.683 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.644 4.522 -1.836 1.00 0.00 H new ATOM 0 HD2 PHE A 19 8.258 8.326 -0.803 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.124 5.600 -3.439 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.744 9.405 -2.411 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.172 8.045 -3.727 1.00 0.00 H new ATOM 325 N ILE A 20 5.598 5.878 1.766 1.00 0.00 N ATOM 326 CA ILE A 20 4.148 5.747 1.741 1.00 0.00 C ATOM 327 C ILE A 20 3.501 7.065 1.333 1.00 0.00 C ATOM 328 O ILE A 20 4.041 8.139 1.593 1.00 0.00 O ATOM 329 CB ILE A 20 3.570 5.312 3.111 1.00 0.00 C ATOM 330 CG1 ILE A 20 4.673 5.165 4.163 1.00 0.00 C ATOM 331 CG2 ILE A 20 2.798 4.012 2.974 1.00 0.00 C ATOM 332 CD1 ILE A 20 5.042 6.472 4.827 1.00 0.00 C ATOM 0 H ILE A 20 5.946 6.600 2.397 1.00 0.00 H new ATOM 0 HA ILE A 20 3.920 4.970 1.011 1.00 0.00 H new ATOM 0 HB ILE A 20 2.889 6.094 3.446 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.347 4.457 4.925 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.560 4.741 3.693 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.399 3.722 3.946 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.976 4.149 2.271 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.463 3.231 2.607 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.829 6.298 5.561 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.398 7.175 4.074 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.166 6.887 5.325 1.00 0.00 H new ATOM 344 N THR A 21 2.340 6.975 0.698 1.00 0.00 N ATOM 345 CA THR A 21 1.621 8.164 0.262 1.00 0.00 C ATOM 346 C THR A 21 0.821 8.758 1.415 1.00 0.00 C ATOM 347 O THR A 21 -0.152 8.163 1.878 1.00 0.00 O ATOM 348 CB THR A 21 0.689 7.819 -0.898 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.344 6.949 -0.471 1.00 0.00 O ATOM 350 CG2 THR A 21 1.398 7.156 -2.060 1.00 0.00 C ATOM 0 H THR A 21 1.877 6.094 0.474 1.00 0.00 H new ATOM 0 HA THR A 21 2.348 8.903 -0.074 1.00 0.00 H new ATOM 0 HB THR A 21 0.286 8.773 -1.237 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.440 7.008 0.503 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.678 6.938 -2.849 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.168 7.824 -2.446 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.859 6.228 -1.723 1.00 0.00 H new ATOM 358 N ARG A 22 1.229 9.934 1.875 1.00 0.00 N ATOM 359 CA ARG A 22 0.542 10.595 2.972 1.00 0.00 C ATOM 360 C ARG A 22 -0.333 11.723 2.452 1.00 0.00 C ATOM 361 O ARG A 22 -0.235 12.104 1.286 1.00 0.00 O ATOM 362 CB ARG A 22 1.557 11.137 3.983 1.00 0.00 C ATOM 363 CG ARG A 22 2.399 12.287 3.453 1.00 0.00 C ATOM 364 CD ARG A 22 3.018 13.092 4.585 1.00 0.00 C ATOM 365 NE ARG A 22 4.434 12.784 4.767 1.00 0.00 N ATOM 366 CZ ARG A 22 4.885 11.746 5.470 1.00 0.00 C ATOM 367 NH1 ARG A 22 4.035 10.912 6.058 1.00 0.00 N ATOM 368 NH2 ARG A 22 6.190 11.541 5.586 1.00 0.00 N ATOM 0 H ARG A 22 2.030 10.447 1.506 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.095 9.864 3.470 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.025 11.469 4.875 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.218 10.327 4.290 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.187 11.896 2.810 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.780 12.939 2.837 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.902 14.156 4.378 1.00 0.00 H new ATOM 0 HD3 ARG A 22 2.481 12.887 5.511 1.00 0.00 H new ATOM 0 HE ARG A 22 5.119 13.401 4.330 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.030 11.064 5.973 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.387 10.119 6.595 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.848 12.178 5.137 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.536 10.746 6.124 1.00 0.00 H new ATOM 493 N ASN A 31 -3.575 12.379 9.319 1.00 0.00 N ATOM 494 CA ASN A 31 -3.674 11.144 10.090 1.00 0.00 C ATOM 495 C ASN A 31 -4.165 9.978 9.229 1.00 0.00 C ATOM 496 O ASN A 31 -4.503 8.916 9.753 1.00 0.00 O ATOM 497 CB ASN A 31 -4.613 11.344 11.282 1.00 0.00 C ATOM 498 CG ASN A 31 -3.876 11.326 12.608 1.00 0.00 C ATOM 499 OD1 ASN A 31 -4.294 10.661 13.555 1.00 0.00 O ATOM 500 ND2 ASN A 31 -2.772 12.061 12.682 1.00 0.00 N ATOM 0 HA ASN A 31 -2.675 10.896 10.450 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.137 12.294 11.173 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.371 10.560 11.280 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.235 12.089 13.549 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.461 12.597 11.872 1.00 0.00 H new ATOM 507 N LYS A 32 -4.202 10.171 7.911 1.00 0.00 N ATOM 508 CA LYS A 32 -4.650 9.121 7.001 1.00 0.00 C ATOM 509 C LYS A 32 -3.517 8.641 6.106 1.00 0.00 C ATOM 510 O LYS A 32 -3.746 8.138 5.006 1.00 0.00 O ATOM 511 CB LYS A 32 -5.826 9.599 6.154 1.00 0.00 C ATOM 512 CG LYS A 32 -7.170 9.083 6.641 1.00 0.00 C ATOM 513 CD LYS A 32 -8.241 9.220 5.571 1.00 0.00 C ATOM 514 CE LYS A 32 -8.478 7.904 4.848 1.00 0.00 C ATOM 515 NZ LYS A 32 -7.321 7.527 3.988 1.00 0.00 N ATOM 0 H LYS A 32 -3.928 11.040 7.453 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.980 8.280 7.611 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.843 10.689 6.151 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.675 9.280 5.123 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.076 8.036 6.931 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.471 9.634 7.532 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.171 9.558 6.027 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.943 9.983 4.852 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.659 7.116 5.579 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.376 7.983 4.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.549 6.660 3.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.121 8.297 3.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.485 7.360 4.584 1.00 0.00 H new ATOM 529 N LEU A 33 -2.297 8.793 6.594 1.00 0.00 N ATOM 530 CA LEU A 33 -1.109 8.370 5.860 1.00 0.00 C ATOM 531 C LEU A 33 -1.292 6.952 5.320 1.00 0.00 C ATOM 532 O LEU A 33 -1.147 5.979 6.056 1.00 0.00 O ATOM 533 CB LEU A 33 0.106 8.429 6.789 1.00 0.00 C ATOM 534 CG LEU A 33 1.474 8.561 6.110 1.00 0.00 C ATOM 535 CD1 LEU A 33 2.567 8.019 7.018 1.00 0.00 C ATOM 536 CD2 LEU A 33 1.497 7.842 4.767 1.00 0.00 C ATOM 0 H LEU A 33 -2.099 9.210 7.504 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.952 9.040 5.014 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.022 9.273 7.467 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.113 7.527 7.401 1.00 0.00 H new ATOM 0 HG LEU A 33 1.658 9.620 5.927 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.533 8.119 6.524 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.577 8.582 7.951 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.375 6.967 7.231 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.481 7.954 4.311 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.286 6.783 4.917 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.741 8.273 4.110 1.00 0.00 H new ATOM 548 N GLU A 34 -1.632 6.839 4.039 1.00 0.00 N ATOM 549 CA GLU A 34 -1.855 5.532 3.426 1.00 0.00 C ATOM 550 C GLU A 34 -0.716 5.140 2.491 1.00 0.00 C ATOM 551 O GLU A 34 0.273 5.859 2.356 1.00 0.00 O ATOM 552 CB GLU A 34 -3.180 5.526 2.662 1.00 0.00 C ATOM 553 CG GLU A 34 -3.942 4.215 2.776 1.00 0.00 C ATOM 554 CD GLU A 34 -5.445 4.412 2.752 1.00 0.00 C ATOM 555 OE1 GLU A 34 -5.922 5.252 1.960 1.00 0.00 O ATOM 556 OE2 GLU A 34 -6.146 3.725 3.525 1.00 0.00 O ATOM 0 H GLU A 34 -1.759 7.631 3.408 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.894 4.797 4.230 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.808 6.335 3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.984 5.733 1.610 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.652 3.558 1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.659 3.714 3.702 1.00 0.00 H new ATOM 563 N PHE A 35 -0.866 3.984 1.851 1.00 0.00 N ATOM 564 CA PHE A 35 0.145 3.480 0.925 1.00 0.00 C ATOM 565 C PHE A 35 -0.428 3.302 -0.482 1.00 0.00 C ATOM 566 O PHE A 35 -1.643 3.307 -0.678 1.00 0.00 O ATOM 567 CB PHE A 35 0.731 2.143 1.413 1.00 0.00 C ATOM 568 CG PHE A 35 0.220 1.673 2.749 1.00 0.00 C ATOM 569 CD1 PHE A 35 -1.123 1.377 2.934 1.00 0.00 C ATOM 570 CD2 PHE A 35 1.086 1.519 3.818 1.00 0.00 C ATOM 571 CE1 PHE A 35 -1.589 0.943 4.160 1.00 0.00 C ATOM 572 CE2 PHE A 35 0.627 1.085 5.046 1.00 0.00 C ATOM 573 CZ PHE A 35 -0.712 0.797 5.218 1.00 0.00 C ATOM 0 H PHE A 35 -1.679 3.377 1.956 1.00 0.00 H new ATOM 0 HA PHE A 35 0.942 4.223 0.889 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.516 1.376 0.669 1.00 0.00 H new ATOM 0 HB3 PHE A 35 1.815 2.238 1.469 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.812 1.487 2.110 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.135 1.741 3.690 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.637 0.718 4.291 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.315 0.971 5.871 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.074 0.458 6.178 1.00 0.00 H new ATOM 583 N PRO A 36 0.458 3.118 -1.477 1.00 0.00 N ATOM 584 CA PRO A 36 0.068 2.909 -2.876 1.00 0.00 C ATOM 585 C PRO A 36 -0.593 1.551 -3.085 1.00 0.00 C ATOM 586 O PRO A 36 -0.547 0.690 -2.206 1.00 0.00 O ATOM 587 CB PRO A 36 1.393 2.975 -3.637 1.00 0.00 C ATOM 588 CG PRO A 36 2.420 2.575 -2.638 1.00 0.00 C ATOM 589 CD PRO A 36 1.926 3.078 -1.309 1.00 0.00 C ATOM 0 HA PRO A 36 -0.662 3.646 -3.209 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.391 2.302 -4.495 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.581 3.978 -4.019 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.548 1.493 -2.622 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.390 3.007 -2.882 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.219 2.415 -0.495 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.330 4.064 -1.078 1.00 0.00 H new ATOM 597 N GLY A 37 -1.208 1.358 -4.249 1.00 0.00 N ATOM 598 CA GLY A 37 -1.861 0.091 -4.529 1.00 0.00 C ATOM 599 C GLY A 37 -3.368 0.128 -4.385 1.00 0.00 C ATOM 600 O GLY A 37 -3.961 -0.606 -3.595 1.00 0.00 O ATOM 0 H GLY A 37 -1.266 2.049 -4.997 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.611 -0.218 -5.544 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.461 -0.668 -3.857 1.00 0.00 H new ATOM 604 N GLY A 38 -3.972 0.987 -5.170 1.00 0.00 N ATOM 605 CA GLY A 38 -5.413 1.138 -5.174 1.00 0.00 C ATOM 606 C GLY A 38 -6.007 0.913 -6.556 1.00 0.00 C ATOM 607 O GLY A 38 -5.508 1.465 -7.538 1.00 0.00 O ATOM 0 H GLY A 38 -3.484 1.600 -5.823 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.853 0.431 -4.471 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.673 2.138 -4.826 1.00 0.00 H new ATOM 611 N LYS A 39 -7.074 0.103 -6.629 1.00 0.00 N ATOM 612 CA LYS A 39 -7.760 -0.205 -7.889 1.00 0.00 C ATOM 613 C LYS A 39 -7.225 -1.476 -8.547 1.00 0.00 C ATOM 614 O LYS A 39 -7.612 -1.803 -9.668 1.00 0.00 O ATOM 615 CB LYS A 39 -7.679 0.961 -8.879 1.00 0.00 C ATOM 616 CG LYS A 39 -8.498 0.736 -10.137 1.00 0.00 C ATOM 617 CD LYS A 39 -9.417 1.913 -10.434 1.00 0.00 C ATOM 618 CE LYS A 39 -8.647 3.222 -10.519 1.00 0.00 C ATOM 619 NZ LYS A 39 -8.823 4.053 -9.295 1.00 0.00 N ATOM 0 H LYS A 39 -7.484 -0.356 -5.815 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.805 -0.372 -7.627 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.023 1.871 -8.387 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.637 1.122 -9.156 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.829 0.576 -10.982 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.093 -0.170 -10.025 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.941 1.737 -11.374 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.176 1.987 -9.655 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.588 3.011 -10.665 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.983 3.784 -11.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.021 5.037 -9.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.617 3.683 -8.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.953 4.021 -8.725 1.00 0.00 H new ATOM 633 N ILE A 40 -6.355 -2.209 -7.852 1.00 0.00 N ATOM 634 CA ILE A 40 -5.814 -3.453 -8.402 1.00 0.00 C ATOM 635 C ILE A 40 -6.944 -4.344 -8.886 1.00 0.00 C ATOM 636 O ILE A 40 -6.789 -5.140 -9.813 1.00 0.00 O ATOM 637 CB ILE A 40 -4.952 -4.225 -7.380 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.828 -5.014 -6.391 1.00 0.00 C ATOM 639 CG2 ILE A 40 -4.037 -3.256 -6.648 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.311 -6.406 -6.096 1.00 0.00 C ATOM 0 H ILE A 40 -6.014 -1.969 -6.921 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.169 -3.178 -9.237 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.341 -4.951 -7.917 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.898 -4.457 -5.457 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.838 -5.089 -6.794 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.430 -3.803 -5.927 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.386 -2.757 -7.366 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.638 -2.512 -6.125 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.980 -6.901 -5.392 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.267 -6.981 -7.021 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.313 -6.339 -5.663 1.00 0.00 H new ATOM 652 N GLU A 41 -8.085 -4.188 -8.229 1.00 0.00 N ATOM 653 CA GLU A 41 -9.283 -4.950 -8.541 1.00 0.00 C ATOM 654 C GLU A 41 -9.490 -5.043 -10.046 1.00 0.00 C ATOM 655 O GLU A 41 -9.134 -6.047 -10.658 1.00 0.00 O ATOM 656 CB GLU A 41 -10.504 -4.307 -7.873 1.00 0.00 C ATOM 657 CG GLU A 41 -10.436 -2.784 -7.774 1.00 0.00 C ATOM 658 CD GLU A 41 -11.636 -2.100 -8.400 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.215 -2.668 -9.349 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.997 -0.996 -7.940 1.00 0.00 O ATOM 0 H GLU A 41 -8.205 -3.526 -7.462 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.159 -5.961 -8.153 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.398 -4.584 -8.432 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.615 -4.720 -6.870 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.365 -2.495 -6.725 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.527 -2.433 -8.263 1.00 0.00 H new ATOM 667 N MET A 42 -10.052 -3.985 -10.629 1.00 0.00 N ATOM 668 CA MET A 42 -10.304 -3.927 -12.071 1.00 0.00 C ATOM 669 C MET A 42 -10.735 -5.288 -12.623 1.00 0.00 C ATOM 670 O MET A 42 -11.927 -5.568 -12.753 1.00 0.00 O ATOM 671 CB MET A 42 -9.053 -3.434 -12.804 1.00 0.00 C ATOM 672 CG MET A 42 -8.757 -1.961 -12.579 1.00 0.00 C ATOM 673 SD MET A 42 -9.359 -0.918 -13.922 1.00 0.00 S ATOM 674 CE MET A 42 -8.545 -1.674 -15.327 1.00 0.00 C ATOM 0 H MET A 42 -10.344 -3.150 -10.122 1.00 0.00 H new ATOM 0 HA MET A 42 -11.121 -3.226 -12.239 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.195 -4.022 -12.478 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.174 -3.613 -13.872 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.215 -1.641 -11.643 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.681 -1.823 -12.471 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.199 -0.897 -16.009 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.693 -2.260 -14.982 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.247 -2.326 -15.847 1.00 0.00 H new ATOM 684 N GLY A 43 -9.755 -6.130 -12.941 1.00 0.00 N ATOM 685 CA GLY A 43 -10.046 -7.448 -13.468 1.00 0.00 C ATOM 686 C GLY A 43 -8.813 -8.313 -13.571 1.00 0.00 C ATOM 687 O GLY A 43 -8.706 -9.157 -14.460 1.00 0.00 O ATOM 0 H GLY A 43 -8.762 -5.920 -12.842 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.778 -7.939 -12.827 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.501 -7.350 -14.454 1.00 0.00 H new ATOM 691 N GLU A 44 -7.875 -8.094 -12.665 1.00 0.00 N ATOM 692 CA GLU A 44 -6.630 -8.855 -12.658 1.00 0.00 C ATOM 693 C GLU A 44 -6.747 -10.100 -11.785 1.00 0.00 C ATOM 694 O GLU A 44 -7.814 -10.393 -11.243 1.00 0.00 O ATOM 695 CB GLU A 44 -5.478 -7.978 -12.166 1.00 0.00 C ATOM 696 CG GLU A 44 -4.783 -7.209 -13.278 1.00 0.00 C ATOM 697 CD GLU A 44 -5.385 -5.836 -13.502 1.00 0.00 C ATOM 698 OE1 GLU A 44 -4.944 -4.878 -12.832 1.00 0.00 O ATOM 699 OE2 GLU A 44 -6.295 -5.718 -14.348 1.00 0.00 O ATOM 0 H GLU A 44 -7.949 -7.397 -11.924 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.427 -9.175 -13.680 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.859 -7.271 -11.429 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.746 -8.605 -11.657 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.726 -7.103 -13.035 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.842 -7.783 -14.203 1.00 0.00 H new ATOM 706 N THR A 45 -5.642 -10.830 -11.652 1.00 0.00 N ATOM 707 CA THR A 45 -5.617 -12.043 -10.846 1.00 0.00 C ATOM 708 C THR A 45 -5.017 -11.755 -9.474 1.00 0.00 C ATOM 709 O THR A 45 -4.222 -10.831 -9.321 1.00 0.00 O ATOM 710 CB THR A 45 -4.806 -13.134 -11.555 1.00 0.00 C ATOM 711 OG1 THR A 45 -4.432 -12.718 -12.857 1.00 0.00 O ATOM 712 CG2 THR A 45 -5.550 -14.444 -11.692 1.00 0.00 C ATOM 0 H THR A 45 -4.752 -10.600 -12.094 1.00 0.00 H new ATOM 0 HA THR A 45 -6.641 -12.394 -10.715 1.00 0.00 H new ATOM 0 HB THR A 45 -3.932 -13.295 -10.924 1.00 0.00 H new ATOM 0 HG1 THR A 45 -3.914 -13.428 -13.291 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.917 -15.170 -12.203 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.809 -14.821 -10.702 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.461 -14.287 -12.270 1.00 0.00 H new ATOM 720 N PRO A 46 -5.382 -12.546 -8.451 1.00 0.00 N ATOM 721 CA PRO A 46 -4.869 -12.372 -7.091 1.00 0.00 C ATOM 722 C PRO A 46 -3.362 -12.117 -7.060 1.00 0.00 C ATOM 723 O PRO A 46 -2.846 -11.521 -6.115 1.00 0.00 O ATOM 724 CB PRO A 46 -5.208 -13.705 -6.399 1.00 0.00 C ATOM 725 CG PRO A 46 -5.774 -14.591 -7.465 1.00 0.00 C ATOM 726 CD PRO A 46 -6.312 -13.675 -8.522 1.00 0.00 C ATOM 0 HA PRO A 46 -5.310 -11.503 -6.603 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.319 -14.150 -5.953 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.927 -13.555 -5.594 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.007 -15.249 -7.873 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.562 -15.229 -7.064 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.311 -14.143 -9.506 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.338 -13.372 -8.315 1.00 0.00 H new ATOM 734 N GLU A 47 -2.660 -12.578 -8.093 1.00 0.00 N ATOM 735 CA GLU A 47 -1.214 -12.400 -8.171 1.00 0.00 C ATOM 736 C GLU A 47 -0.833 -11.299 -9.162 1.00 0.00 C ATOM 737 O GLU A 47 0.082 -10.517 -8.906 1.00 0.00 O ATOM 738 CB GLU A 47 -0.543 -13.715 -8.573 1.00 0.00 C ATOM 739 CG GLU A 47 0.039 -14.485 -7.398 1.00 0.00 C ATOM 740 CD GLU A 47 1.546 -14.355 -7.306 1.00 0.00 C ATOM 741 OE1 GLU A 47 2.248 -14.985 -8.125 1.00 0.00 O ATOM 742 OE2 GLU A 47 2.027 -13.622 -6.415 1.00 0.00 O ATOM 0 H GLU A 47 -3.068 -13.076 -8.884 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.864 -12.099 -7.184 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.272 -14.344 -9.084 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.252 -13.504 -9.288 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.410 -14.124 -6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.226 -15.538 -7.491 1.00 0.00 H new ATOM 749 N GLN A 48 -1.529 -11.245 -10.295 1.00 0.00 N ATOM 750 CA GLN A 48 -1.245 -10.242 -11.318 1.00 0.00 C ATOM 751 C GLN A 48 -1.869 -8.892 -10.972 1.00 0.00 C ATOM 752 O GLN A 48 -1.532 -7.874 -11.577 1.00 0.00 O ATOM 753 CB GLN A 48 -1.755 -10.716 -12.680 1.00 0.00 C ATOM 754 CG GLN A 48 -1.132 -12.024 -13.140 1.00 0.00 C ATOM 755 CD GLN A 48 0.379 -11.945 -13.242 1.00 0.00 C ATOM 756 OE1 GLN A 48 1.098 -12.542 -12.440 1.00 0.00 O ATOM 757 NE2 GLN A 48 0.868 -11.207 -14.230 1.00 0.00 N ATOM 0 H GLN A 48 -2.291 -11.882 -10.527 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.164 -10.112 -11.360 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.837 -10.836 -12.632 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.552 -9.945 -13.423 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.405 -12.817 -12.444 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.544 -12.297 -14.111 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.235 -10.730 -14.872 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.877 -11.117 -14.348 1.00 0.00 H new ATOM 766 N ALA A 49 -2.778 -8.885 -10.005 1.00 0.00 N ATOM 767 CA ALA A 49 -3.440 -7.654 -9.595 1.00 0.00 C ATOM 768 C ALA A 49 -2.431 -6.627 -9.104 1.00 0.00 C ATOM 769 O ALA A 49 -2.432 -5.483 -9.551 1.00 0.00 O ATOM 770 CB ALA A 49 -4.475 -7.942 -8.518 1.00 0.00 C ATOM 0 H ALA A 49 -3.073 -9.716 -9.492 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.948 -7.237 -10.465 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.961 -7.012 -8.222 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.222 -8.634 -8.907 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.985 -8.387 -7.652 1.00 0.00 H new ATOM 776 N VAL A 50 -1.568 -7.040 -8.186 1.00 0.00 N ATOM 777 CA VAL A 50 -0.554 -6.146 -7.645 1.00 0.00 C ATOM 778 C VAL A 50 0.608 -5.983 -8.619 1.00 0.00 C ATOM 779 O VAL A 50 1.083 -4.876 -8.852 1.00 0.00 O ATOM 780 CB VAL A 50 -0.011 -6.648 -6.287 1.00 0.00 C ATOM 781 CG1 VAL A 50 -1.137 -7.214 -5.432 1.00 0.00 C ATOM 782 CG2 VAL A 50 1.088 -7.685 -6.489 1.00 0.00 C ATOM 0 H VAL A 50 -1.550 -7.985 -7.802 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.037 -5.181 -7.492 1.00 0.00 H new ATOM 0 HB VAL A 50 0.422 -5.797 -5.761 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.733 -7.561 -4.481 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.880 -6.438 -5.248 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.606 -8.049 -5.954 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.453 -8.022 -5.519 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.689 -8.535 -7.042 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.909 -7.240 -7.051 1.00 0.00 H new ATOM 792 N VAL A 51 1.066 -7.103 -9.171 1.00 0.00 N ATOM 793 CA VAL A 51 2.183 -7.099 -10.105 1.00 0.00 C ATOM 794 C VAL A 51 1.898 -6.209 -11.304 1.00 0.00 C ATOM 795 O VAL A 51 2.760 -5.447 -11.742 1.00 0.00 O ATOM 796 CB VAL A 51 2.505 -8.525 -10.596 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.747 -8.527 -11.476 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.681 -9.469 -9.415 1.00 0.00 C ATOM 0 H VAL A 51 0.678 -8.028 -8.985 1.00 0.00 H new ATOM 0 HA VAL A 51 3.045 -6.704 -9.567 1.00 0.00 H new ATOM 0 HB VAL A 51 1.666 -8.877 -11.195 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.954 -9.544 -11.810 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.580 -7.887 -12.342 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.597 -8.152 -10.906 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.908 -10.471 -9.780 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.500 -9.118 -8.787 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.761 -9.496 -8.830 1.00 0.00 H new ATOM 808 N ARG A 52 0.687 -6.307 -11.836 1.00 0.00 N ATOM 809 CA ARG A 52 0.309 -5.505 -12.986 1.00 0.00 C ATOM 810 C ARG A 52 -0.027 -4.077 -12.572 1.00 0.00 C ATOM 811 O ARG A 52 0.398 -3.118 -13.217 1.00 0.00 O ATOM 812 CB ARG A 52 -0.878 -6.135 -13.718 1.00 0.00 C ATOM 813 CG ARG A 52 -0.893 -5.850 -15.210 1.00 0.00 C ATOM 814 CD ARG A 52 -1.788 -4.668 -15.544 1.00 0.00 C ATOM 815 NE ARG A 52 -1.663 -4.265 -16.942 1.00 0.00 N ATOM 816 CZ ARG A 52 -2.146 -4.968 -17.963 1.00 0.00 C ATOM 817 NH1 ARG A 52 -2.789 -6.110 -17.747 1.00 0.00 N ATOM 818 NH2 ARG A 52 -1.989 -4.530 -19.205 1.00 0.00 N ATOM 0 H ARG A 52 -0.044 -6.930 -11.491 1.00 0.00 H new ATOM 0 HA ARG A 52 1.162 -5.474 -13.664 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.859 -7.214 -13.563 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.804 -5.766 -13.277 1.00 0.00 H new ATOM 0 HG2 ARG A 52 0.122 -5.647 -15.553 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.240 -6.733 -15.746 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.825 -4.928 -15.333 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.533 -3.827 -14.900 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.176 -3.393 -17.148 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.915 -6.452 -16.794 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.157 -6.645 -18.534 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.497 -3.653 -19.378 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.360 -5.070 -19.987 1.00 0.00 H new ATOM 832 N GLU A 53 -0.789 -3.943 -11.495 1.00 0.00 N ATOM 833 CA GLU A 53 -1.178 -2.632 -10.996 1.00 0.00 C ATOM 834 C GLU A 53 0.028 -1.884 -10.437 1.00 0.00 C ATOM 835 O GLU A 53 0.046 -0.654 -10.407 1.00 0.00 O ATOM 836 CB GLU A 53 -2.262 -2.771 -9.925 1.00 0.00 C ATOM 837 CG GLU A 53 -3.063 -1.502 -9.700 1.00 0.00 C ATOM 838 CD GLU A 53 -2.274 -0.439 -8.966 1.00 0.00 C ATOM 839 OE1 GLU A 53 -2.013 -0.619 -7.758 1.00 0.00 O ATOM 840 OE2 GLU A 53 -1.917 0.572 -9.601 1.00 0.00 O ATOM 0 H GLU A 53 -1.150 -4.726 -10.950 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.580 -2.055 -11.829 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.942 -3.574 -10.211 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.796 -3.068 -8.985 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.390 -1.107 -10.662 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.962 -1.740 -9.131 1.00 0.00 H new ATOM 847 N LEU A 54 1.041 -2.631 -10.000 1.00 0.00 N ATOM 848 CA LEU A 54 2.251 -2.026 -9.450 1.00 0.00 C ATOM 849 C LEU A 54 2.831 -1.021 -10.428 1.00 0.00 C ATOM 850 O LEU A 54 3.208 0.083 -10.048 1.00 0.00 O ATOM 851 CB LEU A 54 3.294 -3.098 -9.132 1.00 0.00 C ATOM 852 CG LEU A 54 3.696 -3.209 -7.660 1.00 0.00 C ATOM 853 CD1 LEU A 54 2.488 -3.046 -6.744 1.00 0.00 C ATOM 854 CD2 LEU A 54 4.380 -4.541 -7.414 1.00 0.00 C ATOM 0 H LEU A 54 1.047 -3.651 -10.016 1.00 0.00 H new ATOM 0 HA LEU A 54 1.983 -1.512 -8.527 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.909 -4.064 -9.459 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.189 -2.896 -9.721 1.00 0.00 H new ATOM 0 HG LEU A 54 4.393 -2.403 -7.430 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.806 -3.130 -5.705 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.037 -2.067 -6.908 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.757 -3.824 -6.964 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.665 -4.616 -6.364 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.696 -5.353 -7.663 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.271 -4.613 -8.037 1.00 0.00 H new ATOM 866 N GLN A 55 2.883 -1.404 -11.696 1.00 0.00 N ATOM 867 CA GLN A 55 3.397 -0.517 -12.728 1.00 0.00 C ATOM 868 C GLN A 55 2.543 0.743 -12.780 1.00 0.00 C ATOM 869 O GLN A 55 3.043 1.844 -13.007 1.00 0.00 O ATOM 870 CB GLN A 55 3.390 -1.222 -14.087 1.00 0.00 C ATOM 871 CG GLN A 55 3.851 -0.340 -15.236 1.00 0.00 C ATOM 872 CD GLN A 55 2.962 -0.461 -16.458 1.00 0.00 C ATOM 873 OE1 GLN A 55 2.800 -1.546 -17.016 1.00 0.00 O ATOM 874 NE2 GLN A 55 2.382 0.656 -16.880 1.00 0.00 N ATOM 0 H GLN A 55 2.578 -2.317 -12.033 1.00 0.00 H new ATOM 0 HA GLN A 55 4.425 -0.245 -12.490 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.034 -2.100 -14.034 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.381 -1.578 -14.296 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.870 0.699 -14.907 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.873 -0.607 -15.507 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.545 1.533 -16.386 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.773 0.637 -17.698 1.00 0.00 H new ATOM 883 N GLU A 56 1.245 0.562 -12.553 1.00 0.00 N ATOM 884 CA GLU A 56 0.298 1.667 -12.553 1.00 0.00 C ATOM 885 C GLU A 56 0.372 2.464 -11.260 1.00 0.00 C ATOM 886 O GLU A 56 0.023 3.641 -11.230 1.00 0.00 O ATOM 887 CB GLU A 56 -1.125 1.145 -12.732 1.00 0.00 C ATOM 888 CG GLU A 56 -2.081 2.165 -13.333 1.00 0.00 C ATOM 889 CD GLU A 56 -3.366 2.303 -12.537 1.00 0.00 C ATOM 890 OE1 GLU A 56 -3.286 2.599 -11.325 1.00 0.00 O ATOM 891 OE2 GLU A 56 -4.451 2.115 -13.125 1.00 0.00 O ATOM 0 H GLU A 56 0.825 -0.348 -12.365 1.00 0.00 H new ATOM 0 HA GLU A 56 0.562 2.321 -13.384 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.101 0.262 -13.371 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.510 0.826 -11.763 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.585 3.134 -13.386 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.321 1.873 -14.355 1.00 0.00 H new ATOM 898 N GLU A 57 0.796 1.811 -10.179 1.00 0.00 N ATOM 899 CA GLU A 57 0.873 2.475 -8.884 1.00 0.00 C ATOM 900 C GLU A 57 2.317 2.743 -8.457 1.00 0.00 C ATOM 901 O GLU A 57 2.566 3.214 -7.348 1.00 0.00 O ATOM 902 CB GLU A 57 0.142 1.644 -7.829 1.00 0.00 C ATOM 903 CG GLU A 57 -1.091 2.328 -7.249 1.00 0.00 C ATOM 904 CD GLU A 57 -2.011 2.937 -8.297 1.00 0.00 C ATOM 905 OE1 GLU A 57 -1.641 2.951 -9.490 1.00 0.00 O ATOM 906 OE2 GLU A 57 -3.108 3.397 -7.921 1.00 0.00 O ATOM 0 H GLU A 57 1.088 0.834 -10.176 1.00 0.00 H new ATOM 0 HA GLU A 57 0.386 3.446 -8.979 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.156 0.694 -8.272 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.833 1.415 -7.018 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.655 1.602 -6.663 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.770 3.112 -6.563 1.00 0.00 H new ATOM 913 N VAL A 58 3.259 2.463 -9.350 1.00 0.00 N ATOM 914 CA VAL A 58 4.670 2.693 -9.080 1.00 0.00 C ATOM 915 C VAL A 58 5.310 3.379 -10.274 1.00 0.00 C ATOM 916 O VAL A 58 6.066 4.339 -10.128 1.00 0.00 O ATOM 917 CB VAL A 58 5.419 1.376 -8.785 1.00 0.00 C ATOM 918 CG1 VAL A 58 6.873 1.651 -8.440 1.00 0.00 C ATOM 919 CG2 VAL A 58 4.743 0.615 -7.659 1.00 0.00 C ATOM 0 H VAL A 58 3.067 2.074 -10.273 1.00 0.00 H new ATOM 0 HA VAL A 58 4.741 3.327 -8.196 1.00 0.00 H new ATOM 0 HB VAL A 58 5.389 0.760 -9.684 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.383 0.709 -8.236 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.358 2.151 -9.278 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.923 2.290 -7.558 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.287 -0.310 -7.467 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.739 1.227 -6.757 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.717 0.380 -7.943 1.00 0.00 H new ATOM 929 N GLY A 59 4.978 2.884 -11.463 1.00 0.00 N ATOM 930 CA GLY A 59 5.493 3.452 -12.691 1.00 0.00 C ATOM 931 C GLY A 59 6.976 3.238 -12.895 1.00 0.00 C ATOM 932 O GLY A 59 7.427 2.968 -14.008 1.00 0.00 O ATOM 0 H GLY A 59 4.353 2.089 -11.595 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.955 3.018 -13.533 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.287 4.522 -12.698 1.00 0.00 H new ATOM 936 N ILE A 60 7.730 3.367 -11.826 1.00 0.00 N ATOM 937 CA ILE A 60 9.171 3.200 -11.879 1.00 0.00 C ATOM 938 C ILE A 60 9.550 1.728 -11.925 1.00 0.00 C ATOM 939 O ILE A 60 8.688 0.850 -11.958 1.00 0.00 O ATOM 940 CB ILE A 60 9.895 3.852 -10.675 1.00 0.00 C ATOM 941 CG1 ILE A 60 8.972 4.054 -9.474 1.00 0.00 C ATOM 942 CG2 ILE A 60 10.529 5.171 -11.084 1.00 0.00 C ATOM 943 CD1 ILE A 60 9.702 3.991 -8.149 1.00 0.00 C ATOM 0 H ILE A 60 7.367 3.589 -10.899 1.00 0.00 H new ATOM 0 HA ILE A 60 9.492 3.703 -12.791 1.00 0.00 H new ATOM 0 HB ILE A 60 10.677 3.160 -10.364 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.475 5.020 -9.563 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.193 3.292 -9.490 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.033 5.614 -10.225 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.254 4.995 -11.879 1.00 0.00 H new ATOM 0 HG23 ILE A 60 9.756 5.851 -11.442 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.993 4.142 -7.335 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.176 3.016 -8.041 1.00 0.00 H new ATOM 0 HD13 ILE A 60 10.463 4.770 -8.116 1.00 0.00 H new ATOM 955 N THR A 61 10.852 1.473 -11.928 1.00 0.00 N ATOM 956 CA THR A 61 11.375 0.128 -11.966 1.00 0.00 C ATOM 957 C THR A 61 12.087 -0.186 -10.658 1.00 0.00 C ATOM 958 O THR A 61 13.282 0.073 -10.519 1.00 0.00 O ATOM 959 CB THR A 61 12.355 0.031 -13.120 1.00 0.00 C ATOM 960 OG1 THR A 61 12.987 1.281 -13.341 1.00 0.00 O ATOM 961 CG2 THR A 61 11.710 -0.390 -14.419 1.00 0.00 C ATOM 0 H THR A 61 11.569 2.198 -11.904 1.00 0.00 H new ATOM 0 HA THR A 61 10.563 -0.587 -12.101 1.00 0.00 H new ATOM 0 HB THR A 61 13.075 -0.734 -12.827 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.617 1.202 -14.087 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.467 -0.439 -15.202 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.251 -1.371 -14.296 1.00 0.00 H new ATOM 0 HG23 THR A 61 10.946 0.336 -14.698 1.00 0.00 H new ATOM 969 N PRO A 62 11.357 -0.700 -9.659 1.00 0.00 N ATOM 970 CA PRO A 62 11.896 -0.989 -8.351 1.00 0.00 C ATOM 971 C PRO A 62 11.988 -2.471 -8.030 1.00 0.00 C ATOM 972 O PRO A 62 11.104 -3.243 -8.400 1.00 0.00 O ATOM 973 CB PRO A 62 10.792 -0.375 -7.508 1.00 0.00 C ATOM 974 CG PRO A 62 9.539 -0.800 -8.209 1.00 0.00 C ATOM 975 CD PRO A 62 9.912 -0.979 -9.666 1.00 0.00 C ATOM 0 HA PRO A 62 12.914 -0.625 -8.214 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.821 -0.740 -6.481 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.878 0.711 -7.463 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.153 -1.729 -7.789 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.756 -0.050 -8.097 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.695 -1.987 -10.020 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.368 -0.290 -10.312 1.00 0.00 H new ATOM 983 N GLN A 63 13.010 -2.859 -7.272 1.00 0.00 N ATOM 984 CA GLN A 63 13.108 -4.242 -6.850 1.00 0.00 C ATOM 985 C GLN A 63 12.068 -4.410 -5.761 1.00 0.00 C ATOM 986 O GLN A 63 12.360 -4.331 -4.568 1.00 0.00 O ATOM 987 CB GLN A 63 14.507 -4.571 -6.332 1.00 0.00 C ATOM 988 CG GLN A 63 15.619 -4.007 -7.199 1.00 0.00 C ATOM 989 CD GLN A 63 16.990 -4.174 -6.573 1.00 0.00 C ATOM 990 OE1 GLN A 63 17.187 -3.879 -5.395 1.00 0.00 O ATOM 991 NE2 GLN A 63 17.946 -4.649 -7.361 1.00 0.00 N ATOM 0 H GLN A 63 13.761 -2.250 -6.947 1.00 0.00 H new ATOM 0 HA GLN A 63 12.932 -4.924 -7.682 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.613 -4.181 -5.320 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.618 -5.654 -6.270 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.604 -4.503 -8.170 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.433 -2.948 -7.379 1.00 0.00 H new ATOM 0 HE21 GLN A 63 17.738 -4.881 -8.332 1.00 0.00 H new ATOM 0 HE22 GLN A 63 18.889 -4.783 -6.995 1.00 0.00 H new ATOM 1000 N HIS A 64 10.837 -4.569 -6.211 1.00 0.00 N ATOM 1001 CA HIS A 64 9.685 -4.670 -5.333 1.00 0.00 C ATOM 1002 C HIS A 64 8.952 -5.981 -5.563 1.00 0.00 C ATOM 1003 O HIS A 64 8.613 -6.318 -6.697 1.00 0.00 O ATOM 1004 CB HIS A 64 8.781 -3.467 -5.628 1.00 0.00 C ATOM 1005 CG HIS A 64 7.344 -3.614 -5.210 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.906 -4.533 -4.279 1.00 0.00 N ATOM 1007 CD2 HIS A 64 6.238 -2.948 -5.622 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.595 -4.429 -4.143 1.00 0.00 C ATOM 1009 NE2 HIS A 64 5.167 -3.474 -4.944 1.00 0.00 N ATOM 0 H HIS A 64 10.606 -4.632 -7.203 1.00 0.00 H new ATOM 0 HA HIS A 64 9.992 -4.660 -4.287 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.198 -2.592 -5.130 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.810 -3.268 -6.699 1.00 0.00 H new ATOM 0 HD1 HIS A 64 7.501 -5.190 -3.774 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.205 -2.151 -6.350 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.979 -5.026 -3.487 1.00 0.00 H new ATOM 1018 N PHE A 65 8.721 -6.727 -4.487 1.00 0.00 N ATOM 1019 CA PHE A 65 8.043 -8.007 -4.602 1.00 0.00 C ATOM 1020 C PHE A 65 7.867 -8.686 -3.246 1.00 0.00 C ATOM 1021 O PHE A 65 8.468 -8.278 -2.253 1.00 0.00 O ATOM 1022 CB PHE A 65 8.865 -8.907 -5.501 1.00 0.00 C ATOM 1023 CG PHE A 65 8.074 -10.004 -6.155 1.00 0.00 C ATOM 1024 CD1 PHE A 65 7.327 -9.747 -7.293 1.00 0.00 C ATOM 1025 CD2 PHE A 65 8.076 -11.288 -5.634 1.00 0.00 C ATOM 1026 CE1 PHE A 65 6.597 -10.751 -7.901 1.00 0.00 C ATOM 1027 CE2 PHE A 65 7.347 -12.296 -6.238 1.00 0.00 C ATOM 1028 CZ PHE A 65 6.606 -12.026 -7.373 1.00 0.00 C ATOM 0 H PHE A 65 8.991 -6.469 -3.538 1.00 0.00 H new ATOM 0 HA PHE A 65 7.050 -7.832 -5.017 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.334 -8.300 -6.275 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.669 -9.352 -4.915 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.315 -8.751 -7.710 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.653 -11.504 -4.747 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.020 -10.538 -8.789 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.357 -13.293 -5.823 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.035 -12.811 -7.846 1.00 0.00 H new ATOM 1038 N SER A 66 7.047 -9.737 -3.227 1.00 0.00 N ATOM 1039 CA SER A 66 6.776 -10.505 -2.011 1.00 0.00 C ATOM 1040 C SER A 66 5.672 -9.850 -1.195 1.00 0.00 C ATOM 1041 O SER A 66 5.447 -8.645 -1.296 1.00 0.00 O ATOM 1042 CB SER A 66 8.040 -10.657 -1.158 1.00 0.00 C ATOM 1043 OG SER A 66 9.185 -10.851 -1.971 1.00 0.00 O ATOM 0 H SER A 66 6.553 -10.079 -4.051 1.00 0.00 H new ATOM 0 HA SER A 66 6.446 -11.498 -2.315 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.175 -9.769 -0.541 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.925 -11.502 -0.479 1.00 0.00 H new ATOM 0 HG SER A 66 9.978 -10.943 -1.403 1.00 0.00 H new ATOM 1049 N LEU A 67 4.978 -10.649 -0.390 1.00 0.00 N ATOM 1050 CA LEU A 67 3.893 -10.136 0.436 1.00 0.00 C ATOM 1051 C LEU A 67 4.256 -10.190 1.916 1.00 0.00 C ATOM 1052 O LEU A 67 4.581 -11.251 2.449 1.00 0.00 O ATOM 1053 CB LEU A 67 2.601 -10.921 0.175 1.00 0.00 C ATOM 1054 CG LEU A 67 2.480 -12.258 0.911 1.00 0.00 C ATOM 1055 CD1 LEU A 67 1.954 -12.047 2.325 1.00 0.00 C ATOM 1056 CD2 LEU A 67 1.575 -13.206 0.139 1.00 0.00 C ATOM 0 H LEU A 67 5.148 -11.650 -0.293 1.00 0.00 H new ATOM 0 HA LEU A 67 3.730 -9.093 0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.754 -10.295 0.454 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.520 -11.107 -0.896 1.00 0.00 H new ATOM 0 HG LEU A 67 3.472 -12.705 0.980 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.875 -13.009 2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.639 -11.402 2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.971 -11.578 2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.498 -14.152 0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.584 -12.763 0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.993 -13.382 -0.852 1.00 0.00 H new ATOM 1068 N PHE A 68 4.193 -9.038 2.577 1.00 0.00 N ATOM 1069 CA PHE A 68 4.507 -8.956 3.997 1.00 0.00 C ATOM 1070 C PHE A 68 3.345 -9.498 4.826 1.00 0.00 C ATOM 1071 O PHE A 68 3.546 -10.173 5.835 1.00 0.00 O ATOM 1072 CB PHE A 68 4.834 -7.503 4.382 1.00 0.00 C ATOM 1073 CG PHE A 68 3.895 -6.891 5.388 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.676 -6.368 4.990 1.00 0.00 C ATOM 1075 CD2 PHE A 68 4.238 -6.836 6.730 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.815 -5.801 5.911 1.00 0.00 C ATOM 1077 CE2 PHE A 68 3.382 -6.269 7.655 1.00 0.00 C ATOM 1078 CZ PHE A 68 2.168 -5.750 7.245 1.00 0.00 C ATOM 0 H PHE A 68 3.927 -8.150 2.151 1.00 0.00 H new ATOM 0 HA PHE A 68 5.384 -9.568 4.206 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.847 -7.467 4.782 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.826 -6.892 3.479 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.395 -6.404 3.948 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.185 -7.241 7.056 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.867 -5.398 5.587 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.661 -6.231 8.698 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.498 -5.306 7.966 1.00 0.00 H new ATOM 1088 N GLU A 69 2.130 -9.196 4.382 1.00 0.00 N ATOM 1089 CA GLU A 69 0.923 -9.647 5.064 1.00 0.00 C ATOM 1090 C GLU A 69 -0.310 -9.338 4.220 1.00 0.00 C ATOM 1091 O GLU A 69 -0.336 -8.354 3.486 1.00 0.00 O ATOM 1092 CB GLU A 69 0.806 -8.979 6.437 1.00 0.00 C ATOM 1093 CG GLU A 69 0.999 -9.939 7.599 1.00 0.00 C ATOM 1094 CD GLU A 69 1.462 -9.240 8.861 1.00 0.00 C ATOM 1095 OE1 GLU A 69 1.199 -8.027 8.999 1.00 0.00 O ATOM 1096 OE2 GLU A 69 2.089 -9.904 9.713 1.00 0.00 O ATOM 0 H GLU A 69 1.955 -8.637 3.547 1.00 0.00 H new ATOM 0 HA GLU A 69 0.987 -10.726 5.206 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.546 -8.182 6.508 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.175 -8.511 6.522 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.060 -10.456 7.798 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.729 -10.699 7.320 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.329 -10.180 4.323 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.556 -9.979 3.560 1.00 0.00 C ATOM 1105 C LYS A 70 -3.779 -10.385 4.378 1.00 0.00 C ATOM 1106 O LYS A 70 -3.806 -11.463 4.974 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.509 -10.783 2.259 1.00 0.00 C ATOM 1108 CG LYS A 70 -2.267 -12.269 2.470 1.00 0.00 C ATOM 1109 CD LYS A 70 -2.581 -13.067 1.215 1.00 0.00 C ATOM 1110 CE LYS A 70 -3.989 -13.638 1.256 1.00 0.00 C ATOM 1111 NZ LYS A 70 -4.968 -12.751 0.568 1.00 0.00 N ATOM 0 H LYS A 70 -1.332 -11.005 4.923 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.637 -8.918 3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.450 -10.649 1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.721 -10.382 1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.228 -12.433 2.756 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.885 -12.626 3.294 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.472 -12.427 0.339 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.861 -13.878 1.109 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.996 -14.621 0.785 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.293 -13.779 2.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.754 -12.534 1.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.498 -11.867 0.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.337 -13.231 -0.277 1.00 0.00 H new ATOM 1125 N LEU A 71 -4.792 -9.523 4.402 1.00 0.00 N ATOM 1126 CA LEU A 71 -6.014 -9.809 5.147 1.00 0.00 C ATOM 1127 C LEU A 71 -7.250 -9.511 4.301 1.00 0.00 C ATOM 1128 O LEU A 71 -7.160 -8.873 3.253 1.00 0.00 O ATOM 1129 CB LEU A 71 -6.047 -9.013 6.462 1.00 0.00 C ATOM 1130 CG LEU A 71 -6.493 -7.547 6.359 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -5.823 -6.852 5.185 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -8.008 -7.455 6.243 1.00 0.00 C ATOM 0 H LEU A 71 -4.791 -8.626 3.917 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.022 -10.871 5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.714 -9.526 7.155 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.050 -9.037 6.902 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.185 -7.037 7.272 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.157 -5.816 5.137 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.741 -6.878 5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.089 -7.363 4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.305 -6.409 6.171 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.338 -7.988 5.351 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.468 -7.903 7.124 1.00 0.00 H new ATOM 1144 N GLU A 72 -8.404 -9.985 4.761 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.655 -9.776 4.047 1.00 0.00 C ATOM 1146 C GLU A 72 -10.778 -9.417 5.020 1.00 0.00 C ATOM 1147 O GLU A 72 -11.037 -10.140 5.982 1.00 0.00 O ATOM 1148 CB GLU A 72 -10.017 -11.035 3.250 1.00 0.00 C ATOM 1149 CG GLU A 72 -11.498 -11.165 2.935 1.00 0.00 C ATOM 1150 CD GLU A 72 -11.776 -12.176 1.840 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -10.907 -13.040 1.594 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -12.862 -12.105 1.228 1.00 0.00 O ATOM 0 H GLU A 72 -8.497 -10.517 5.626 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.528 -8.944 3.355 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.456 -11.034 2.315 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.698 -11.912 3.812 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.033 -11.457 3.838 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.888 -10.193 2.634 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.444 -8.299 4.755 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.544 -7.842 5.596 1.00 0.00 C ATOM 1161 C TYR A 73 -13.660 -7.253 4.740 1.00 0.00 C ATOM 1162 O TYR A 73 -13.402 -6.661 3.693 1.00 0.00 O ATOM 1163 CB TYR A 73 -12.047 -6.807 6.611 1.00 0.00 C ATOM 1164 CG TYR A 73 -11.732 -5.456 6.006 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -10.785 -5.329 4.997 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -12.381 -4.309 6.443 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -10.496 -4.097 4.441 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -12.098 -3.074 5.892 1.00 0.00 C ATOM 1169 CZ TYR A 73 -11.155 -2.974 4.891 1.00 0.00 C ATOM 1170 OH TYR A 73 -10.870 -1.746 4.340 1.00 0.00 O ATOM 0 H TYR A 73 -11.241 -7.691 3.962 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.941 -8.699 6.141 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.804 -6.680 7.385 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.152 -7.193 7.100 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.266 -6.207 4.642 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.120 -4.383 7.227 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.757 -4.015 3.658 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -12.613 -2.192 6.243 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.422 -1.059 4.768 1.00 0.00 H new ATOM 1180 N GLU A 74 -14.901 -7.418 5.186 1.00 0.00 N ATOM 1181 CA GLU A 74 -16.045 -6.898 4.446 1.00 0.00 C ATOM 1182 C GLU A 74 -16.854 -5.918 5.288 1.00 0.00 C ATOM 1183 O GLU A 74 -17.066 -6.127 6.483 1.00 0.00 O ATOM 1184 CB GLU A 74 -16.949 -8.037 3.966 1.00 0.00 C ATOM 1185 CG GLU A 74 -17.090 -9.171 4.966 1.00 0.00 C ATOM 1186 CD GLU A 74 -17.643 -10.436 4.339 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -18.266 -10.340 3.260 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -17.453 -11.522 4.925 1.00 0.00 O ATOM 0 H GLU A 74 -15.139 -7.904 6.050 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.654 -6.366 3.579 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.938 -7.635 3.745 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.551 -8.435 3.033 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.116 -9.384 5.407 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.746 -8.855 5.777 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.304 -4.852 4.643 1.00 0.00 N ATOM 1196 CA PHE A 75 -18.101 -3.824 5.298 1.00 0.00 C ATOM 1197 C PHE A 75 -19.585 -4.181 5.234 1.00 0.00 C ATOM 1198 O PHE A 75 -19.985 -5.031 4.442 1.00 0.00 O ATOM 1199 CB PHE A 75 -17.854 -2.465 4.637 1.00 0.00 C ATOM 1200 CG PHE A 75 -17.068 -1.514 5.493 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -15.824 -1.872 5.989 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -17.572 -0.261 5.803 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -15.098 -0.999 6.777 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -16.851 0.617 6.591 1.00 0.00 C ATOM 1205 CZ PHE A 75 -15.613 0.248 7.078 1.00 0.00 C ATOM 0 H PHE A 75 -17.128 -4.675 3.654 1.00 0.00 H new ATOM 0 HA PHE A 75 -17.803 -3.765 6.345 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -17.323 -2.619 3.697 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -18.814 -2.011 4.390 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -15.417 -2.845 5.757 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -18.540 0.033 5.425 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -14.130 -1.291 7.157 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -17.256 1.590 6.825 1.00 0.00 H new ATOM 0 HZ PHE A 75 -15.048 0.933 7.693 1.00 0.00 H new ATOM 1215 N PRO A 76 -20.419 -3.538 6.070 1.00 0.00 N ATOM 1216 CA PRO A 76 -21.863 -3.786 6.105 1.00 0.00 C ATOM 1217 C PRO A 76 -22.492 -3.715 4.717 1.00 0.00 C ATOM 1218 O PRO A 76 -23.034 -2.683 4.321 1.00 0.00 O ATOM 1219 CB PRO A 76 -22.413 -2.667 7.005 1.00 0.00 C ATOM 1220 CG PRO A 76 -21.283 -1.709 7.191 1.00 0.00 C ATOM 1221 CD PRO A 76 -20.027 -2.514 7.036 1.00 0.00 C ATOM 0 HA PRO A 76 -22.091 -4.786 6.474 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -23.270 -2.177 6.542 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -22.751 -3.064 7.962 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -21.326 -0.907 6.454 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -21.327 -1.240 8.174 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -19.200 -1.907 6.669 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -19.707 -2.951 7.982 1.00 0.00 H new ATOM 1229 N ASP A 77 -22.398 -4.828 3.992 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.935 -4.955 2.630 1.00 0.00 C ATOM 1231 C ASP A 77 -21.871 -4.626 1.583 1.00 0.00 C ATOM 1232 O ASP A 77 -22.190 -4.362 0.423 1.00 0.00 O ATOM 1233 CB ASP A 77 -24.168 -4.068 2.419 1.00 0.00 C ATOM 1234 CG ASP A 77 -25.177 -4.198 3.544 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -25.121 -5.206 4.279 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -26.023 -3.291 3.690 1.00 0.00 O ATOM 0 H ASP A 77 -21.944 -5.676 4.332 1.00 0.00 H new ATOM 0 HA ASP A 77 -23.239 -5.994 2.507 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -23.853 -3.028 2.336 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -24.645 -4.333 1.475 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.608 -4.654 1.998 1.00 0.00 N ATOM 1242 CA ARG A 78 -19.496 -4.368 1.098 1.00 0.00 C ATOM 1243 C ARG A 78 -18.354 -5.355 1.328 1.00 0.00 C ATOM 1244 O ARG A 78 -18.163 -5.849 2.438 1.00 0.00 O ATOM 1245 CB ARG A 78 -19.001 -2.935 1.301 1.00 0.00 C ATOM 1246 CG ARG A 78 -17.839 -2.555 0.398 1.00 0.00 C ATOM 1247 CD ARG A 78 -17.571 -1.059 0.431 1.00 0.00 C ATOM 1248 NE ARG A 78 -16.141 -0.758 0.475 1.00 0.00 N ATOM 1249 CZ ARG A 78 -15.633 0.460 0.293 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -16.435 1.491 0.056 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -14.321 0.647 0.350 1.00 0.00 N ATOM 0 H ARG A 78 -20.329 -4.872 2.954 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.848 -4.476 0.072 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.827 -2.246 1.124 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.698 -2.809 2.340 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -16.944 -3.093 0.710 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.056 -2.864 -0.625 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -18.012 -0.592 -0.450 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -18.060 -0.623 1.302 1.00 0.00 H new ATOM 0 HE ARG A 78 -15.494 -1.526 0.656 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -17.445 1.352 0.013 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -16.042 2.422 -0.083 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.701 -0.142 0.533 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.932 1.580 0.211 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.595 -5.637 0.274 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.470 -6.562 0.367 1.00 0.00 C ATOM 1267 C HIS A 79 -15.177 -5.887 -0.076 1.00 0.00 C ATOM 1268 O HIS A 79 -14.967 -5.648 -1.265 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.732 -7.803 -0.488 1.00 0.00 C ATOM 1270 CG HIS A 79 -17.925 -8.594 -0.048 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -17.872 -9.943 0.232 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -19.209 -8.218 0.161 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -19.071 -10.363 0.592 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -19.900 -9.335 0.559 1.00 0.00 N ATOM 0 H HIS A 79 -17.738 -5.239 -0.654 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.363 -6.865 1.409 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -16.872 -7.497 -1.525 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -15.851 -8.445 -0.461 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -19.614 -7.224 0.038 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -19.330 -11.375 0.867 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -20.893 -9.366 0.792 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.315 -5.574 0.888 1.00 0.00 N ATOM 1284 CA ILE A 80 -13.050 -4.923 0.597 1.00 0.00 C ATOM 1285 C ILE A 80 -11.870 -5.843 0.907 1.00 0.00 C ATOM 1286 O ILE A 80 -11.596 -6.150 2.067 1.00 0.00 O ATOM 1287 CB ILE A 80 -12.910 -3.612 1.401 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -11.489 -3.071 1.296 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -13.287 -3.838 2.858 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -11.390 -1.575 1.507 1.00 0.00 C ATOM 0 H ILE A 80 -14.474 -5.763 1.878 1.00 0.00 H new ATOM 0 HA ILE A 80 -13.041 -4.691 -0.468 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.592 -2.874 0.979 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.863 -3.575 2.032 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.087 -3.318 0.313 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -13.183 -2.904 3.410 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -14.320 -4.181 2.918 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.629 -4.591 3.292 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.349 -1.263 1.418 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.989 -1.061 0.755 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.760 -1.322 2.501 1.00 0.00 H new ATOM 1302 N THR A 81 -11.169 -6.269 -0.140 1.00 0.00 N ATOM 1303 CA THR A 81 -10.013 -7.142 0.015 1.00 0.00 C ATOM 1304 C THR A 81 -8.741 -6.310 0.141 1.00 0.00 C ATOM 1305 O THR A 81 -8.392 -5.560 -0.769 1.00 0.00 O ATOM 1306 CB THR A 81 -9.907 -8.081 -1.189 1.00 0.00 C ATOM 1307 OG1 THR A 81 -10.714 -7.618 -2.258 1.00 0.00 O ATOM 1308 CG2 THR A 81 -10.326 -9.500 -0.885 1.00 0.00 C ATOM 0 H THR A 81 -11.383 -6.022 -1.106 1.00 0.00 H new ATOM 0 HA THR A 81 -10.136 -7.736 0.921 1.00 0.00 H new ATOM 0 HB THR A 81 -8.851 -8.082 -1.458 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.151 -8.380 -2.692 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.225 -10.109 -1.783 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.691 -9.906 -0.098 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.365 -9.510 -0.554 1.00 0.00 H new ATOM 1316 N LEU A 82 -8.054 -6.434 1.273 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.832 -5.669 1.497 1.00 0.00 C ATOM 1318 C LEU A 82 -5.593 -6.557 1.459 1.00 0.00 C ATOM 1319 O LEU A 82 -5.398 -7.410 2.324 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.905 -4.949 2.844 1.00 0.00 C ATOM 1321 CG LEU A 82 -7.431 -3.515 2.787 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -7.604 -2.959 4.192 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -6.491 -2.636 1.975 1.00 0.00 C ATOM 0 H LEU A 82 -8.319 -7.050 2.042 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.749 -4.940 0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.543 -5.527 3.513 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.909 -4.936 3.286 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.404 -3.521 2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.979 -1.937 4.135 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.314 -3.576 4.743 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.643 -2.965 4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.880 -1.618 1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.504 -2.633 2.438 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.414 -3.026 0.960 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.747 -6.335 0.460 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.515 -7.098 0.321 1.00 0.00 C ATOM 1337 C TRP A 83 -2.314 -6.199 0.562 1.00 0.00 C ATOM 1338 O TRP A 83 -2.129 -5.197 -0.125 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.412 -7.722 -1.073 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.489 -8.720 -1.354 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.784 -8.648 -0.946 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.366 -9.936 -2.098 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.482 -9.741 -1.391 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.634 -10.549 -2.101 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -3.311 -10.567 -2.764 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -5.873 -11.762 -2.744 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.550 -11.771 -3.401 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -4.822 -12.357 -3.387 1.00 0.00 C ATOM 0 H TRP A 83 -4.893 -5.633 -0.265 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.528 -7.897 1.062 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.455 -6.931 -1.822 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.441 -8.207 -1.176 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.202 -7.846 -0.356 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.471 -9.923 -1.221 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.327 -10.122 -2.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -6.853 -12.216 -2.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.742 -12.268 -3.918 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.976 -13.298 -3.894 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.496 -6.568 1.533 1.00 0.00 N ATOM 1360 CA PHE A 84 -0.303 -5.790 1.850 1.00 0.00 C ATOM 1361 C PHE A 84 0.948 -6.521 1.368 1.00 0.00 C ATOM 1362 O PHE A 84 1.320 -7.562 1.907 1.00 0.00 O ATOM 1363 CB PHE A 84 -0.220 -5.501 3.355 1.00 0.00 C ATOM 1364 CG PHE A 84 -1.018 -4.299 3.784 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -2.280 -4.066 3.260 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.508 -3.401 4.714 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -3.018 -2.965 3.651 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.243 -2.298 5.107 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.498 -2.081 4.574 1.00 0.00 C ATOM 0 H PHE A 84 -1.632 -7.395 2.114 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.368 -4.834 1.330 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.572 -6.375 3.904 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.824 -5.350 3.630 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.692 -4.754 2.537 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.473 -3.567 5.134 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.000 -2.797 3.235 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.836 -1.607 5.830 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.073 -1.219 4.880 1.00 0.00 H new ATOM 1379 N TRP A 85 1.579 -5.976 0.332 1.00 0.00 N ATOM 1380 CA TRP A 85 2.772 -6.586 -0.247 1.00 0.00 C ATOM 1381 C TRP A 85 4.054 -5.936 0.264 1.00 0.00 C ATOM 1382 O TRP A 85 4.083 -4.745 0.574 1.00 0.00 O ATOM 1383 CB TRP A 85 2.710 -6.513 -1.771 1.00 0.00 C ATOM 1384 CG TRP A 85 1.656 -7.403 -2.352 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.305 -7.258 -2.224 1.00 0.00 C ATOM 1386 CD2 TRP A 85 1.861 -8.581 -3.139 1.00 0.00 C ATOM 1387 NE1 TRP A 85 -0.343 -8.272 -2.885 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.590 -9.096 -3.457 1.00 0.00 C ATOM 1389 CE3 TRP A 85 2.996 -9.249 -3.609 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.423 -10.249 -4.221 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 2.829 -10.392 -4.368 1.00 0.00 C ATOM 1392 CH2 TRP A 85 1.551 -10.882 -4.668 1.00 0.00 C ATOM 0 H TRP A 85 1.284 -5.113 -0.124 1.00 0.00 H new ATOM 0 HA TRP A 85 2.793 -7.630 0.065 1.00 0.00 H new ATOM 0 HB2 TRP A 85 2.517 -5.484 -2.073 1.00 0.00 H new ATOM 0 HB3 TRP A 85 3.680 -6.790 -2.183 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -0.183 -6.462 -1.682 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.354 -8.392 -2.941 1.00 0.00 H new ATOM 0 HE3 TRP A 85 3.985 -8.879 -3.383 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.561 -10.629 -4.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 3.698 -10.916 -4.736 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.454 -11.777 -5.264 1.00 0.00 H new ATOM 1403 N LEU A 86 5.112 -6.739 0.349 1.00 0.00 N ATOM 1404 CA LEU A 86 6.407 -6.270 0.825 1.00 0.00 C ATOM 1405 C LEU A 86 7.308 -5.845 -0.336 1.00 0.00 C ATOM 1406 O LEU A 86 7.358 -6.503 -1.370 1.00 0.00 O ATOM 1407 CB LEU A 86 7.094 -7.363 1.645 1.00 0.00 C ATOM 1408 CG LEU A 86 8.503 -7.021 2.131 1.00 0.00 C ATOM 1409 CD1 LEU A 86 8.443 -6.072 3.318 1.00 0.00 C ATOM 1410 CD2 LEU A 86 9.260 -8.289 2.498 1.00 0.00 C ATOM 0 H LEU A 86 5.095 -7.726 0.091 1.00 0.00 H new ATOM 0 HA LEU A 86 6.235 -5.398 1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.473 -7.590 2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.144 -8.270 1.042 1.00 0.00 H new ATOM 0 HG LEU A 86 9.036 -6.523 1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.455 -5.840 3.650 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.938 -5.152 3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.893 -6.543 4.133 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.261 -8.029 2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.728 -8.813 3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.334 -8.935 1.623 1.00 0.00 H new ATOM 1422 N VAL A 87 8.008 -4.737 -0.145 1.00 0.00 N ATOM 1423 CA VAL A 87 8.919 -4.193 -1.151 1.00 0.00 C ATOM 1424 C VAL A 87 10.303 -4.040 -0.579 1.00 0.00 C ATOM 1425 O VAL A 87 10.451 -3.749 0.609 1.00 0.00 O ATOM 1426 CB VAL A 87 8.469 -2.827 -1.643 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.345 -2.342 -2.786 1.00 0.00 C ATOM 1428 CG2 VAL A 87 7.009 -2.887 -2.053 1.00 0.00 C ATOM 0 H VAL A 87 7.963 -4.186 0.712 1.00 0.00 H new ATOM 0 HA VAL A 87 8.919 -4.896 -1.984 1.00 0.00 H new ATOM 0 HB VAL A 87 8.573 -2.107 -0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.000 -1.363 -3.118 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.378 -2.267 -2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.286 -3.048 -3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.689 -1.906 -2.405 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.885 -3.618 -2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.402 -3.180 -1.196 1.00 0.00 H new ATOM 1438 N GLU A 88 11.324 -4.250 -1.395 1.00 0.00 N ATOM 1439 CA GLU A 88 12.676 -4.131 -0.879 1.00 0.00 C ATOM 1440 C GLU A 88 13.458 -2.936 -1.442 1.00 0.00 C ATOM 1441 O GLU A 88 14.390 -2.459 -0.793 1.00 0.00 O ATOM 1442 CB GLU A 88 13.450 -5.429 -1.126 1.00 0.00 C ATOM 1443 CG GLU A 88 14.903 -5.369 -0.683 1.00 0.00 C ATOM 1444 CD GLU A 88 15.051 -5.272 0.824 1.00 0.00 C ATOM 1445 OE1 GLU A 88 14.416 -6.079 1.535 1.00 0.00 O ATOM 1446 OE2 GLU A 88 15.800 -4.390 1.291 1.00 0.00 O ATOM 0 H GLU A 88 11.248 -4.495 -2.382 1.00 0.00 H new ATOM 0 HA GLU A 88 12.575 -3.948 0.191 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.953 -6.244 -0.600 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.413 -5.667 -2.189 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.424 -6.258 -1.039 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.385 -4.509 -1.148 1.00 0.00 H new ATOM 1453 N ARG A 89 13.116 -2.459 -2.635 1.00 0.00 N ATOM 1454 CA ARG A 89 13.847 -1.338 -3.220 1.00 0.00 C ATOM 1455 C ARG A 89 13.056 -0.689 -4.352 1.00 0.00 C ATOM 1456 O ARG A 89 12.122 -1.286 -4.885 1.00 0.00 O ATOM 1457 CB ARG A 89 15.217 -1.833 -3.714 1.00 0.00 C ATOM 1458 CG ARG A 89 15.879 -0.965 -4.777 1.00 0.00 C ATOM 1459 CD ARG A 89 16.559 0.248 -4.162 1.00 0.00 C ATOM 1460 NE ARG A 89 16.813 1.295 -5.149 1.00 0.00 N ATOM 1461 CZ ARG A 89 17.692 2.280 -4.976 1.00 0.00 C ATOM 1462 NH1 ARG A 89 18.400 2.356 -3.856 1.00 0.00 N ATOM 1463 NH2 ARG A 89 17.864 3.190 -5.925 1.00 0.00 N ATOM 0 H ARG A 89 12.353 -2.822 -3.207 1.00 0.00 H new ATOM 0 HA ARG A 89 13.995 -0.573 -2.457 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.888 -1.906 -2.858 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.098 -2.840 -4.113 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.613 -1.556 -5.325 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.131 -0.637 -5.498 1.00 0.00 H new ATOM 0 HD2 ARG A 89 15.934 0.647 -3.363 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.501 -0.057 -3.707 1.00 0.00 H new ATOM 0 HE ARG A 89 16.286 1.270 -6.022 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.272 1.658 -3.123 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.072 3.112 -3.728 1.00 0.00 H new ATOM 0 HH21 ARG A 89 17.323 3.136 -6.788 1.00 0.00 H new ATOM 0 HH22 ARG A 89 18.537 3.944 -5.792 1.00 0.00 H new ATOM 1477 N TRP A 90 13.452 0.526 -4.729 1.00 0.00 N ATOM 1478 CA TRP A 90 12.792 1.235 -5.816 1.00 0.00 C ATOM 1479 C TRP A 90 13.717 2.276 -6.441 1.00 0.00 C ATOM 1480 O TRP A 90 14.236 3.155 -5.752 1.00 0.00 O ATOM 1481 CB TRP A 90 11.476 1.862 -5.327 1.00 0.00 C ATOM 1482 CG TRP A 90 11.593 3.265 -4.819 1.00 0.00 C ATOM 1483 CD1 TRP A 90 11.835 4.389 -5.556 1.00 0.00 C ATOM 1484 CD2 TRP A 90 11.446 3.693 -3.465 1.00 0.00 C ATOM 1485 NE1 TRP A 90 11.850 5.491 -4.738 1.00 0.00 N ATOM 1486 CE2 TRP A 90 11.611 5.090 -3.450 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.190 3.029 -2.263 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 11.525 5.835 -2.280 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.105 3.770 -1.101 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.270 5.162 -1.118 1.00 0.00 C ATOM 0 H TRP A 90 14.223 1.035 -4.298 1.00 0.00 H new ATOM 0 HA TRP A 90 12.549 0.515 -6.598 1.00 0.00 H new ATOM 0 HB2 TRP A 90 10.758 1.847 -6.147 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.067 1.237 -4.533 1.00 0.00 H new ATOM 0 HD1 TRP A 90 11.991 4.408 -6.624 1.00 0.00 H new ATOM 0 HE1 TRP A 90 12.013 6.452 -5.040 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.061 1.957 -2.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 11.655 6.907 -2.289 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 10.908 3.269 -0.164 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.194 5.714 -0.193 1.00 0.00 H new ATOM 1501 N GLU A 91 13.927 2.164 -7.755 1.00 0.00 N ATOM 1502 CA GLU A 91 14.798 3.091 -8.471 1.00 0.00 C ATOM 1503 C GLU A 91 14.121 4.443 -8.663 1.00 0.00 C ATOM 1504 O GLU A 91 12.898 4.527 -8.776 1.00 0.00 O ATOM 1505 CB GLU A 91 15.191 2.507 -9.829 1.00 0.00 C ATOM 1506 CG GLU A 91 16.184 3.365 -10.596 1.00 0.00 C ATOM 1507 CD GLU A 91 16.848 2.614 -11.733 1.00 0.00 C ATOM 1508 OE1 GLU A 91 16.131 2.201 -12.669 1.00 0.00 O ATOM 1509 OE2 GLU A 91 18.083 2.437 -11.687 1.00 0.00 O ATOM 0 H GLU A 91 13.506 1.442 -8.340 1.00 0.00 H new ATOM 0 HA GLU A 91 15.696 3.240 -7.872 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.620 1.516 -9.679 1.00 0.00 H new ATOM 0 HB3 GLU A 91 14.293 2.377 -10.433 1.00 0.00 H new ATOM 0 HG2 GLU A 91 15.670 4.240 -10.995 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.949 3.729 -9.910 1.00 0.00 H new ATOM 1516 N GLY A 92 14.927 5.501 -8.701 1.00 0.00 N ATOM 1517 CA GLY A 92 14.392 6.839 -8.881 1.00 0.00 C ATOM 1518 C GLY A 92 13.337 7.188 -7.850 1.00 0.00 C ATOM 1519 O GLY A 92 13.536 6.982 -6.653 1.00 0.00 O ATOM 0 H GLY A 92 15.942 5.455 -8.610 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.205 7.562 -8.823 1.00 0.00 H new ATOM 0 HA3 GLY A 92 13.962 6.923 -9.879 1.00 0.00 H new ATOM 1523 N GLU A 93 12.210 7.715 -8.317 1.00 0.00 N ATOM 1524 CA GLU A 93 11.117 8.091 -7.429 1.00 0.00 C ATOM 1525 C GLU A 93 9.838 7.342 -7.798 1.00 0.00 C ATOM 1526 O GLU A 93 9.579 7.092 -8.976 1.00 0.00 O ATOM 1527 CB GLU A 93 10.876 9.600 -7.492 1.00 0.00 C ATOM 1528 CG GLU A 93 11.771 10.400 -6.561 1.00 0.00 C ATOM 1529 CD GLU A 93 11.035 11.534 -5.875 1.00 0.00 C ATOM 1530 OE1 GLU A 93 9.843 11.355 -5.547 1.00 0.00 O ATOM 1531 OE2 GLU A 93 11.649 12.601 -5.667 1.00 0.00 O ATOM 0 H GLU A 93 12.030 7.891 -9.305 1.00 0.00 H new ATOM 0 HA GLU A 93 11.397 7.819 -6.411 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.033 9.942 -8.515 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.834 9.803 -7.244 1.00 0.00 H new ATOM 0 HG2 GLU A 93 12.190 9.735 -5.806 1.00 0.00 H new ATOM 0 HG3 GLU A 93 12.608 10.806 -7.128 1.00 0.00 H new ATOM 1538 N PRO A 94 9.013 6.981 -6.799 1.00 0.00 N ATOM 1539 CA PRO A 94 7.757 6.272 -7.027 1.00 0.00 C ATOM 1540 C PRO A 94 6.680 7.207 -7.546 1.00 0.00 C ATOM 1541 O PRO A 94 6.432 8.262 -6.961 1.00 0.00 O ATOM 1542 CB PRO A 94 7.378 5.729 -5.636 1.00 0.00 C ATOM 1543 CG PRO A 94 8.521 6.079 -4.736 1.00 0.00 C ATOM 1544 CD PRO A 94 9.214 7.245 -5.375 1.00 0.00 C ATOM 0 HA PRO A 94 7.857 5.488 -7.778 1.00 0.00 H new ATOM 0 HB2 PRO A 94 6.450 6.177 -5.281 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.221 4.651 -5.667 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.166 6.336 -3.738 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.202 5.235 -4.625 1.00 0.00 H new ATOM 0 HD2 PRO A 94 8.776 8.196 -5.071 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.271 7.284 -5.113 1.00 0.00 H new ATOM 1552 N TRP A 95 6.039 6.828 -8.644 1.00 0.00 N ATOM 1553 CA TRP A 95 4.994 7.661 -9.212 1.00 0.00 C ATOM 1554 C TRP A 95 3.772 6.849 -9.604 1.00 0.00 C ATOM 1555 O TRP A 95 2.665 7.105 -9.130 1.00 0.00 O ATOM 1556 CB TRP A 95 5.511 8.438 -10.427 1.00 0.00 C ATOM 1557 CG TRP A 95 6.213 7.604 -11.470 1.00 0.00 C ATOM 1558 CD1 TRP A 95 7.549 7.339 -11.536 1.00 0.00 C ATOM 1559 CD2 TRP A 95 5.622 6.950 -12.604 1.00 0.00 C ATOM 1560 NE1 TRP A 95 7.832 6.582 -12.651 1.00 0.00 N ATOM 1561 CE2 TRP A 95 6.667 6.332 -13.322 1.00 0.00 C ATOM 1562 CE3 TRP A 95 4.315 6.829 -13.087 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 6.443 5.614 -14.496 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.095 6.113 -14.249 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.156 5.518 -14.944 1.00 0.00 C ATOM 0 H TRP A 95 6.222 5.962 -9.151 1.00 0.00 H new ATOM 0 HA TRP A 95 4.697 8.367 -8.437 1.00 0.00 H new ATOM 0 HB2 TRP A 95 4.670 8.947 -10.897 1.00 0.00 H new ATOM 0 HB3 TRP A 95 6.197 9.210 -10.080 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.281 7.675 -10.816 1.00 0.00 H new ATOM 0 HE1 TRP A 95 8.759 6.260 -12.931 1.00 0.00 H new ATOM 0 HE3 TRP A 95 3.491 7.288 -12.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.258 5.150 -15.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.089 6.011 -14.627 1.00 0.00 H new ATOM 0 HH2 TRP A 95 4.952 4.972 -15.853 1.00 0.00 H new ATOM 1576 N GLY A 96 3.979 5.876 -10.479 1.00 0.00 N ATOM 1577 CA GLY A 96 2.884 5.038 -10.939 1.00 0.00 C ATOM 1578 C GLY A 96 1.629 5.829 -11.267 1.00 0.00 C ATOM 1579 O GLY A 96 1.487 6.356 -12.371 1.00 0.00 O ATOM 0 H GLY A 96 4.888 5.649 -10.882 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.202 4.488 -11.825 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.651 4.300 -10.172 1.00 0.00 H new ATOM 1583 N LYS A 97 0.714 5.905 -10.304 1.00 0.00 N ATOM 1584 CA LYS A 97 -0.537 6.632 -10.492 1.00 0.00 C ATOM 1585 C LYS A 97 -1.365 6.649 -9.209 1.00 0.00 C ATOM 1586 O LYS A 97 -2.594 6.636 -9.254 1.00 0.00 O ATOM 1587 CB LYS A 97 -1.348 6.005 -11.627 1.00 0.00 C ATOM 1588 CG LYS A 97 -2.132 7.018 -12.446 1.00 0.00 C ATOM 1589 CD LYS A 97 -3.538 7.212 -11.898 1.00 0.00 C ATOM 1590 CE LYS A 97 -3.696 8.570 -11.231 1.00 0.00 C ATOM 1591 NZ LYS A 97 -5.062 9.130 -11.425 1.00 0.00 N ATOM 0 H LYS A 97 0.816 5.472 -9.386 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.290 7.661 -10.752 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.673 5.461 -12.287 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.041 5.275 -11.208 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.606 7.973 -12.446 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.187 6.685 -13.482 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -4.261 7.117 -12.708 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.761 6.424 -11.178 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.490 8.476 -10.165 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.959 9.262 -11.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -5.128 10.056 -10.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -5.249 9.244 -12.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -5.764 8.482 -11.014 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.685 6.687 -8.066 1.00 0.00 N ATOM 1606 CA GLU A 98 -1.366 6.715 -6.772 1.00 0.00 C ATOM 1607 C GLU A 98 -1.972 8.096 -6.518 1.00 0.00 C ATOM 1608 O GLU A 98 -2.961 8.228 -5.796 1.00 0.00 O ATOM 1609 CB GLU A 98 -0.403 6.338 -5.636 1.00 0.00 C ATOM 1610 CG GLU A 98 1.056 6.677 -5.911 1.00 0.00 C ATOM 1611 CD GLU A 98 1.258 8.124 -6.313 1.00 0.00 C ATOM 1612 OE1 GLU A 98 1.415 8.974 -5.410 1.00 0.00 O ATOM 1613 OE2 GLU A 98 1.261 8.409 -7.528 1.00 0.00 O ATOM 0 H GLU A 98 0.333 6.699 -8.008 1.00 0.00 H new ATOM 0 HA GLU A 98 -2.169 5.979 -6.796 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.717 6.848 -4.725 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -0.485 5.268 -5.446 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.647 6.467 -5.020 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.432 6.029 -6.703 1.00 0.00 H new ATOM 1620 N GLY A 99 -1.382 9.119 -7.134 1.00 0.00 N ATOM 1621 CA GLY A 99 -1.882 10.475 -6.982 1.00 0.00 C ATOM 1622 C GLY A 99 -1.655 11.056 -5.597 1.00 0.00 C ATOM 1623 O GLY A 99 -2.284 12.048 -5.230 1.00 0.00 O ATOM 0 H GLY A 99 -0.564 9.032 -7.737 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.399 11.116 -7.719 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.950 10.486 -7.201 1.00 0.00 H new ATOM 1627 N GLN A 100 -0.762 10.445 -4.825 1.00 0.00 N ATOM 1628 CA GLN A 100 -0.474 10.928 -3.479 1.00 0.00 C ATOM 1629 C GLN A 100 1.015 10.844 -3.163 1.00 0.00 C ATOM 1630 O GLN A 100 1.506 9.825 -2.680 1.00 0.00 O ATOM 1631 CB GLN A 100 -1.280 10.137 -2.448 1.00 0.00 C ATOM 1632 CG GLN A 100 -2.766 10.454 -2.465 1.00 0.00 C ATOM 1633 CD GLN A 100 -3.464 10.045 -1.183 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -2.886 10.112 -0.099 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -4.716 9.617 -1.302 1.00 0.00 N ATOM 0 H GLN A 100 -0.229 9.621 -5.105 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.767 11.977 -3.431 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.142 9.071 -2.631 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.884 10.343 -1.454 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.904 11.523 -2.624 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -3.233 9.944 -3.307 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -5.156 9.578 -2.221 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -5.237 9.328 -0.474 1.00 0.00 H new ATOM 1644 N PRO A 101 1.753 11.934 -3.428 1.00 0.00 N ATOM 1645 CA PRO A 101 3.194 12.009 -3.169 1.00 0.00 C ATOM 1646 C PRO A 101 3.586 11.428 -1.811 1.00 0.00 C ATOM 1647 O PRO A 101 2.835 11.530 -0.842 1.00 0.00 O ATOM 1648 CB PRO A 101 3.447 13.513 -3.194 1.00 0.00 C ATOM 1649 CG PRO A 101 2.473 14.027 -4.190 1.00 0.00 C ATOM 1650 CD PRO A 101 1.236 13.195 -4.004 1.00 0.00 C ATOM 0 HA PRO A 101 3.775 11.434 -3.890 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.288 13.960 -2.213 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.473 13.740 -3.485 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.264 15.084 -4.026 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.861 13.933 -5.204 1.00 0.00 H new ATOM 0 HD2 PRO A 101 0.523 13.679 -3.336 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.721 13.023 -4.949 1.00 0.00 H new ATOM 1658 N GLY A 102 4.769 10.820 -1.751 1.00 0.00 N ATOM 1659 CA GLY A 102 5.244 10.233 -0.509 1.00 0.00 C ATOM 1660 C GLY A 102 6.692 10.588 -0.212 1.00 0.00 C ATOM 1661 O GLY A 102 7.349 11.257 -1.009 1.00 0.00 O ATOM 0 H GLY A 102 5.407 10.724 -2.541 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.614 10.573 0.313 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.143 9.149 -0.561 1.00 0.00 H new ATOM 1665 N GLU A 103 7.189 10.139 0.939 1.00 0.00 N ATOM 1666 CA GLU A 103 8.568 10.412 1.341 1.00 0.00 C ATOM 1667 C GLU A 103 9.181 9.204 2.048 1.00 0.00 C ATOM 1668 O GLU A 103 8.462 8.360 2.582 1.00 0.00 O ATOM 1669 CB GLU A 103 8.620 11.635 2.259 1.00 0.00 C ATOM 1670 CG GLU A 103 8.434 12.954 1.527 1.00 0.00 C ATOM 1671 CD GLU A 103 9.660 13.359 0.732 1.00 0.00 C ATOM 1672 OE1 GLU A 103 10.724 13.575 1.352 1.00 0.00 O ATOM 1673 OE2 GLU A 103 9.558 13.459 -0.509 1.00 0.00 O ATOM 0 H GLU A 103 6.657 9.584 1.610 1.00 0.00 H new ATOM 0 HA GLU A 103 9.148 10.615 0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.847 11.540 3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.579 11.649 2.778 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.580 12.875 0.855 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.200 13.736 2.249 1.00 0.00 H new ATOM 1680 N TRP A 104 10.512 9.125 2.048 1.00 0.00 N ATOM 1681 CA TRP A 104 11.206 8.011 2.695 1.00 0.00 C ATOM 1682 C TRP A 104 11.170 8.168 4.214 1.00 0.00 C ATOM 1683 O TRP A 104 11.880 9.002 4.778 1.00 0.00 O ATOM 1684 CB TRP A 104 12.668 7.938 2.211 1.00 0.00 C ATOM 1685 CG TRP A 104 12.860 8.432 0.809 1.00 0.00 C ATOM 1686 CD1 TRP A 104 12.020 8.243 -0.249 1.00 0.00 C ATOM 1687 CD2 TRP A 104 13.964 9.200 0.315 1.00 0.00 C ATOM 1688 NE1 TRP A 104 12.532 8.847 -1.372 1.00 0.00 N ATOM 1689 CE2 TRP A 104 13.725 9.440 -1.052 1.00 0.00 C ATOM 1690 CE3 TRP A 104 15.130 9.708 0.894 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 14.610 10.166 -1.846 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 16.007 10.428 0.104 1.00 0.00 C ATOM 1693 CH2 TRP A 104 15.742 10.651 -1.253 1.00 0.00 C ATOM 0 H TRP A 104 11.127 9.812 1.612 1.00 0.00 H new ATOM 0 HA TRP A 104 10.696 7.086 2.425 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.294 8.524 2.883 1.00 0.00 H new ATOM 0 HB3 TRP A 104 13.012 6.906 2.274 1.00 0.00 H new ATOM 0 HD1 TRP A 104 11.088 7.698 -0.210 1.00 0.00 H new ATOM 0 HE1 TRP A 104 12.095 8.853 -2.294 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.342 9.541 1.940 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 14.409 10.339 -2.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 16.911 10.825 0.541 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.447 11.218 -1.843 1.00 0.00 H new ATOM 1704 N MET A 105 10.342 7.357 4.873 1.00 0.00 N ATOM 1705 CA MET A 105 10.219 7.404 6.329 1.00 0.00 C ATOM 1706 C MET A 105 10.572 6.061 6.960 1.00 0.00 C ATOM 1707 O MET A 105 10.326 5.006 6.374 1.00 0.00 O ATOM 1708 CB MET A 105 8.807 7.826 6.739 1.00 0.00 C ATOM 1709 CG MET A 105 7.735 6.808 6.386 1.00 0.00 C ATOM 1710 SD MET A 105 7.526 5.547 7.658 1.00 0.00 S ATOM 1711 CE MET A 105 6.504 6.424 8.839 1.00 0.00 C ATOM 0 H MET A 105 9.748 6.661 4.422 1.00 0.00 H new ATOM 0 HA MET A 105 10.928 8.147 6.695 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.788 8.001 7.815 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.567 8.774 6.258 1.00 0.00 H new ATOM 0 HG2 MET A 105 6.787 7.323 6.232 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.993 6.327 5.443 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.724 6.068 9.845 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.713 7.492 8.778 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.453 6.246 8.613 1.00 0.00 H new ATOM 1721 N SER A 106 11.136 6.104 8.163 1.00 0.00 N ATOM 1722 CA SER A 106 11.512 4.888 8.875 1.00 0.00 C ATOM 1723 C SER A 106 10.287 4.022 9.154 1.00 0.00 C ATOM 1724 O SER A 106 9.393 4.416 9.904 1.00 0.00 O ATOM 1725 CB SER A 106 12.214 5.237 10.188 1.00 0.00 C ATOM 1726 OG SER A 106 13.267 4.329 10.461 1.00 0.00 O ATOM 0 H SER A 106 11.343 6.968 8.665 1.00 0.00 H new ATOM 0 HA SER A 106 12.198 4.324 8.244 1.00 0.00 H new ATOM 0 HB2 SER A 106 12.609 6.251 10.134 1.00 0.00 H new ATOM 0 HB3 SER A 106 11.493 5.219 11.005 1.00 0.00 H new ATOM 0 HG SER A 106 14.050 4.564 9.921 1.00 0.00 H new ATOM 1732 N LEU A 107 10.252 2.841 8.543 1.00 0.00 N ATOM 1733 CA LEU A 107 9.138 1.917 8.722 1.00 0.00 C ATOM 1734 C LEU A 107 9.264 1.140 10.030 1.00 0.00 C ATOM 1735 O LEU A 107 8.285 0.583 10.528 1.00 0.00 O ATOM 1736 CB LEU A 107 9.065 0.945 7.543 1.00 0.00 C ATOM 1737 CG LEU A 107 7.674 0.373 7.250 1.00 0.00 C ATOM 1738 CD1 LEU A 107 7.293 -0.667 8.294 1.00 0.00 C ATOM 1739 CD2 LEU A 107 6.634 1.484 7.194 1.00 0.00 C ATOM 0 H LEU A 107 10.984 2.502 7.919 1.00 0.00 H new ATOM 0 HA LEU A 107 8.220 2.504 8.764 1.00 0.00 H new ATOM 0 HB2 LEU A 107 9.425 1.456 6.650 1.00 0.00 H new ATOM 0 HB3 LEU A 107 9.747 0.117 7.734 1.00 0.00 H new ATOM 0 HG LEU A 107 7.704 -0.114 6.275 1.00 0.00 H new ATOM 0 HD11 LEU A 107 6.302 -1.062 8.069 1.00 0.00 H new ATOM 0 HD12 LEU A 107 8.019 -1.480 8.280 1.00 0.00 H new ATOM 0 HD13 LEU A 107 7.284 -0.205 9.281 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.654 1.055 6.985 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.605 2.004 8.151 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.897 2.189 6.406 1.00 0.00 H new ATOM 1751 N VAL A 108 10.473 1.104 10.585 1.00 0.00 N ATOM 1752 CA VAL A 108 10.721 0.393 11.834 1.00 0.00 C ATOM 1753 C VAL A 108 9.842 0.923 12.967 1.00 0.00 C ATOM 1754 O VAL A 108 9.707 0.280 14.008 1.00 0.00 O ATOM 1755 CB VAL A 108 12.198 0.500 12.256 1.00 0.00 C ATOM 1756 CG1 VAL A 108 12.489 -0.419 13.435 1.00 0.00 C ATOM 1757 CG2 VAL A 108 13.112 0.180 11.083 1.00 0.00 C ATOM 0 H VAL A 108 11.295 1.559 10.189 1.00 0.00 H new ATOM 0 HA VAL A 108 10.473 -0.652 11.650 1.00 0.00 H new ATOM 0 HB VAL A 108 12.392 1.525 12.571 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.538 -0.328 13.717 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.860 -0.137 14.280 1.00 0.00 H new ATOM 0 HG13 VAL A 108 12.277 -1.450 13.153 1.00 0.00 H new ATOM 0 HG21 VAL A 108 14.152 0.261 11.400 1.00 0.00 H new ATOM 0 HG22 VAL A 108 12.916 -0.834 10.735 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.924 0.884 10.272 1.00 0.00 H new ATOM 1767 N GLY A 109 9.247 2.096 12.763 1.00 0.00 N ATOM 1768 CA GLY A 109 8.395 2.680 13.778 1.00 0.00 C ATOM 1769 C GLY A 109 7.127 3.270 13.195 1.00 0.00 C ATOM 1770 O GLY A 109 6.793 4.426 13.452 1.00 0.00 O ATOM 0 H GLY A 109 9.342 2.650 11.912 1.00 0.00 H new ATOM 0 HA2 GLY A 109 8.134 1.918 14.513 1.00 0.00 H new ATOM 0 HA3 GLY A 109 8.945 3.458 14.307 1.00 0.00 H new ATOM 1774 N LEU A 110 6.420 2.468 12.407 1.00 0.00 N ATOM 1775 CA LEU A 110 5.178 2.907 11.781 1.00 0.00 C ATOM 1776 C LEU A 110 4.140 3.250 12.843 1.00 0.00 C ATOM 1777 O LEU A 110 4.153 2.684 13.936 1.00 0.00 O ATOM 1778 CB LEU A 110 4.646 1.810 10.860 1.00 0.00 C ATOM 1779 CG LEU A 110 3.761 2.294 9.713 1.00 0.00 C ATOM 1780 CD1 LEU A 110 4.463 3.381 8.914 1.00 0.00 C ATOM 1781 CD2 LEU A 110 3.385 1.126 8.816 1.00 0.00 C ATOM 0 H LEU A 110 6.686 1.508 12.186 1.00 0.00 H new ATOM 0 HA LEU A 110 5.378 3.802 11.191 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.493 1.268 10.440 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.079 1.098 11.460 1.00 0.00 H new ATOM 0 HG LEU A 110 2.849 2.720 10.132 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.815 3.712 8.102 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.687 4.225 9.566 1.00 0.00 H new ATOM 0 HD13 LEU A 110 5.391 2.987 8.500 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.754 1.481 8.001 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.289 0.677 8.405 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.842 0.381 9.397 1.00 0.00 H new ATOM 1793 N ASN A 111 3.254 4.195 12.533 1.00 0.00 N ATOM 1794 CA ASN A 111 2.238 4.614 13.488 1.00 0.00 C ATOM 1795 C ASN A 111 0.823 4.467 12.946 1.00 0.00 C ATOM 1796 O ASN A 111 0.515 4.905 11.838 1.00 0.00 O ATOM 1797 CB ASN A 111 2.483 6.064 13.903 1.00 0.00 C ATOM 1798 CG ASN A 111 2.817 6.198 15.376 1.00 0.00 C ATOM 1799 OD1 ASN A 111 1.998 6.662 16.170 1.00 0.00 O ATOM 1800 ND2 ASN A 111 4.025 5.792 15.748 1.00 0.00 N ATOM 0 H ASN A 111 3.221 4.679 11.636 1.00 0.00 H new ATOM 0 HA ASN A 111 2.321 3.955 14.352 1.00 0.00 H new ATOM 0 HB2 ASN A 111 3.300 6.475 13.310 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.596 6.657 13.679 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.307 5.858 16.726 1.00 0.00 H new ATOM 0 HD22 ASN A 111 4.672 5.414 15.056 1.00 0.00 H new ATOM 1807 N ALA A 112 -0.042 3.868 13.761 1.00 0.00 N ATOM 1808 CA ALA A 112 -1.437 3.685 13.398 1.00 0.00 C ATOM 1809 C ALA A 112 -2.184 5.022 13.447 1.00 0.00 C ATOM 1810 O ALA A 112 -3.293 5.147 12.930 1.00 0.00 O ATOM 1811 CB ALA A 112 -2.106 2.666 14.315 1.00 0.00 C ATOM 0 H ALA A 112 0.204 3.501 14.680 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.476 3.303 12.378 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.150 2.545 14.025 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.593 1.708 14.230 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.054 3.015 15.346 1.00 0.00 H new ATOM 1817 N ASP A 113 -1.571 6.017 14.091 1.00 0.00 N ATOM 1818 CA ASP A 113 -2.177 7.340 14.216 1.00 0.00 C ATOM 1819 C ASP A 113 -2.025 8.157 12.930 1.00 0.00 C ATOM 1820 O ASP A 113 -2.994 8.734 12.437 1.00 0.00 O ATOM 1821 CB ASP A 113 -1.551 8.098 15.388 1.00 0.00 C ATOM 1822 CG ASP A 113 -2.510 9.093 16.013 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -3.272 8.693 16.918 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -2.497 10.270 15.597 1.00 0.00 O ATOM 0 H ASP A 113 -0.656 5.930 14.533 1.00 0.00 H new ATOM 0 HA ASP A 113 -3.242 7.198 14.400 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.227 7.385 16.146 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -0.661 8.624 15.043 1.00 0.00 H new ATOM 1829 N ASP A 114 -0.804 8.214 12.399 1.00 0.00 N ATOM 1830 CA ASP A 114 -0.535 8.975 11.177 1.00 0.00 C ATOM 1831 C ASP A 114 -1.237 8.350 9.978 1.00 0.00 C ATOM 1832 O ASP A 114 -1.645 9.050 9.053 1.00 0.00 O ATOM 1833 CB ASP A 114 0.971 9.084 10.889 1.00 0.00 C ATOM 1834 CG ASP A 114 1.843 8.323 11.872 1.00 0.00 C ATOM 1835 OD1 ASP A 114 1.930 8.749 13.042 1.00 0.00 O ATOM 1836 OD2 ASP A 114 2.439 7.303 11.467 1.00 0.00 O ATOM 0 H ASP A 114 0.012 7.745 12.793 1.00 0.00 H new ATOM 0 HA ASP A 114 -0.927 9.979 11.341 1.00 0.00 H new ATOM 0 HB2 ASP A 114 1.166 8.713 9.883 1.00 0.00 H new ATOM 0 HB3 ASP A 114 1.258 10.135 10.902 1.00 0.00 H new ATOM 1841 N PHE A 115 -1.370 7.032 10.000 1.00 0.00 N ATOM 1842 CA PHE A 115 -2.022 6.310 8.914 1.00 0.00 C ATOM 1843 C PHE A 115 -3.530 6.214 9.169 1.00 0.00 C ATOM 1844 O PHE A 115 -3.999 6.543 10.258 1.00 0.00 O ATOM 1845 CB PHE A 115 -1.397 4.911 8.778 1.00 0.00 C ATOM 1846 CG PHE A 115 -2.268 3.805 9.291 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -2.733 3.845 10.585 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -2.624 2.743 8.484 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -3.541 2.847 11.080 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -3.433 1.736 8.970 1.00 0.00 C ATOM 1851 CZ PHE A 115 -3.892 1.789 10.272 1.00 0.00 C ATOM 0 H PHE A 115 -1.035 6.439 10.759 1.00 0.00 H new ATOM 0 HA PHE A 115 -1.874 6.851 7.980 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -1.171 4.725 7.728 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.449 4.893 9.316 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -2.460 4.673 11.223 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.267 2.700 7.466 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -3.898 2.894 12.098 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.707 0.908 8.333 1.00 0.00 H new ATOM 0 HZ PHE A 115 -4.525 1.002 10.655 1.00 0.00 H new ATOM 1861 N PRO A 116 -4.310 5.747 8.177 1.00 0.00 N ATOM 1862 CA PRO A 116 -5.762 5.601 8.330 1.00 0.00 C ATOM 1863 C PRO A 116 -6.117 4.472 9.298 1.00 0.00 C ATOM 1864 O PRO A 116 -5.641 3.350 9.144 1.00 0.00 O ATOM 1865 CB PRO A 116 -6.236 5.262 6.914 1.00 0.00 C ATOM 1866 CG PRO A 116 -5.053 4.636 6.260 1.00 0.00 C ATOM 1867 CD PRO A 116 -3.845 5.314 6.847 1.00 0.00 C ATOM 0 HA PRO A 116 -6.228 6.496 8.742 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -7.085 4.579 6.933 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -6.558 6.156 6.379 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -5.027 3.562 6.447 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -5.089 4.770 5.179 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -2.997 4.633 6.920 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -3.523 6.159 6.239 1.00 0.00 H new ATOM 1875 N PRO A 117 -6.953 4.751 10.316 1.00 0.00 N ATOM 1876 CA PRO A 117 -7.350 3.746 11.315 1.00 0.00 C ATOM 1877 C PRO A 117 -8.141 2.581 10.722 1.00 0.00 C ATOM 1878 O PRO A 117 -8.312 1.547 11.369 1.00 0.00 O ATOM 1879 CB PRO A 117 -8.224 4.536 12.296 1.00 0.00 C ATOM 1880 CG PRO A 117 -8.684 5.728 11.528 1.00 0.00 C ATOM 1881 CD PRO A 117 -7.567 6.063 10.583 1.00 0.00 C ATOM 0 HA PRO A 117 -6.476 3.281 11.771 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -9.068 3.939 12.642 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -7.658 4.830 13.180 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -9.604 5.512 10.985 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -8.896 6.564 12.194 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -7.937 6.529 9.670 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -6.856 6.758 11.029 1.00 0.00 H new ATOM 1889 N ALA A 118 -8.630 2.751 9.500 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.410 1.710 8.837 1.00 0.00 C ATOM 1891 C ALA A 118 -8.541 0.548 8.367 1.00 0.00 C ATOM 1892 O ALA A 118 -9.056 -0.480 7.927 1.00 0.00 O ATOM 1893 CB ALA A 118 -10.182 2.300 7.667 1.00 0.00 C ATOM 0 H ALA A 118 -8.501 3.598 8.947 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.111 1.311 9.570 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -10.760 1.515 7.180 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -10.857 3.075 8.030 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.483 2.733 6.951 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.227 0.719 8.436 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.299 -0.314 7.991 1.00 0.00 C ATOM 1901 C ASN A 119 -5.362 -0.751 9.122 1.00 0.00 C ATOM 1902 O ASN A 119 -4.195 -1.065 8.887 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.489 0.229 6.813 1.00 0.00 C ATOM 1904 CG ASN A 119 -6.026 -0.226 5.469 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -5.264 -0.556 4.560 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -7.346 -0.235 5.329 1.00 0.00 N ATOM 0 H ASN A 119 -6.780 1.562 8.795 1.00 0.00 H new ATOM 0 HA ASN A 119 -6.868 -1.191 7.683 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -5.490 1.318 6.849 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -4.452 -0.092 6.912 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -7.763 -0.523 4.444 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -7.943 0.046 6.107 1.00 0.00 H new ATOM 1913 N GLU A 120 -5.875 -0.755 10.350 1.00 0.00 N ATOM 1914 CA GLU A 120 -5.073 -1.133 11.516 1.00 0.00 C ATOM 1915 C GLU A 120 -4.854 -2.646 11.630 1.00 0.00 C ATOM 1916 O GLU A 120 -3.821 -3.076 12.130 1.00 0.00 O ATOM 1917 CB GLU A 120 -5.710 -0.592 12.799 1.00 0.00 C ATOM 1918 CG GLU A 120 -4.867 0.463 13.496 1.00 0.00 C ATOM 1919 CD GLU A 120 -5.144 0.540 14.984 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -5.678 -0.443 15.541 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -4.826 1.583 15.594 1.00 0.00 O ATOM 0 H GLU A 120 -6.839 -0.502 10.566 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.090 -0.683 11.377 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -6.685 -0.167 12.560 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -5.883 -1.420 13.486 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -3.811 0.242 13.338 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.061 1.435 13.043 1.00 0.00 H new ATOM 1928 N PRO A 121 -5.807 -3.485 11.188 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.657 -4.943 11.279 1.00 0.00 C ATOM 1930 C PRO A 121 -4.313 -5.434 10.748 1.00 0.00 C ATOM 1931 O PRO A 121 -3.642 -6.243 11.390 1.00 0.00 O ATOM 1932 CB PRO A 121 -6.805 -5.468 10.417 1.00 0.00 C ATOM 1933 CG PRO A 121 -7.843 -4.402 10.485 1.00 0.00 C ATOM 1934 CD PRO A 121 -7.096 -3.098 10.583 1.00 0.00 C ATOM 0 HA PRO A 121 -5.686 -5.290 12.312 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -6.482 -5.642 9.391 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -7.185 -6.416 10.797 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.480 -4.421 9.601 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.493 -4.545 11.349 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.958 -2.640 9.604 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.629 -2.375 11.201 1.00 0.00 H new ATOM 1942 N VAL A 122 -3.921 -4.939 9.581 1.00 0.00 N ATOM 1943 CA VAL A 122 -2.651 -5.330 8.974 1.00 0.00 C ATOM 1944 C VAL A 122 -1.491 -4.614 9.650 1.00 0.00 C ATOM 1945 O VAL A 122 -0.509 -5.237 10.053 1.00 0.00 O ATOM 1946 CB VAL A 122 -2.608 -5.020 7.462 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -1.672 -5.982 6.748 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.001 -5.073 6.847 1.00 0.00 C ATOM 0 H VAL A 122 -4.461 -4.268 9.035 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.560 -6.408 9.111 1.00 0.00 H new ATOM 0 HB VAL A 122 -2.227 -4.006 7.338 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -1.654 -5.749 5.683 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -0.667 -5.884 7.158 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.023 -7.004 6.890 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -3.937 -4.850 5.782 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.422 -6.069 6.985 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -4.642 -4.338 7.334 1.00 0.00 H new ATOM 1958 N ILE A 123 -1.615 -3.298 9.764 1.00 0.00 N ATOM 1959 CA ILE A 123 -0.584 -2.479 10.385 1.00 0.00 C ATOM 1960 C ILE A 123 -0.333 -2.906 11.826 1.00 0.00 C ATOM 1961 O ILE A 123 0.796 -2.857 12.304 1.00 0.00 O ATOM 1962 CB ILE A 123 -0.968 -0.986 10.349 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -0.877 -0.461 8.914 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -0.078 -0.171 11.281 1.00 0.00 C ATOM 1965 CD1 ILE A 123 0.499 0.034 8.533 1.00 0.00 C ATOM 0 H ILE A 123 -2.424 -2.773 9.432 1.00 0.00 H new ATOM 0 HA ILE A 123 0.332 -2.624 9.812 1.00 0.00 H new ATOM 0 HB ILE A 123 -1.995 -0.882 10.698 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.171 -1.255 8.227 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.593 0.351 8.788 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -0.369 0.878 11.237 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -0.190 -0.536 12.302 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.962 -0.272 10.971 1.00 0.00 H new ATOM 0 HD11 ILE A 123 0.485 0.390 7.503 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.788 0.850 9.195 1.00 0.00 H new ATOM 0 HD13 ILE A 123 1.217 -0.781 8.626 1.00 0.00 H new ATOM 1977 N ALA A 124 -1.385 -3.326 12.514 1.00 0.00 N ATOM 1978 CA ALA A 124 -1.263 -3.757 13.900 1.00 0.00 C ATOM 1979 C ALA A 124 -0.209 -4.847 14.028 1.00 0.00 C ATOM 1980 O ALA A 124 0.510 -4.920 15.025 1.00 0.00 O ATOM 1981 CB ALA A 124 -2.604 -4.252 14.421 1.00 0.00 C ATOM 0 H ALA A 124 -2.331 -3.378 12.136 1.00 0.00 H new ATOM 0 HA ALA A 124 -0.951 -2.903 14.501 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -2.496 -4.571 15.458 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -3.337 -3.447 14.363 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.941 -5.094 13.816 1.00 0.00 H new ATOM 1987 N LYS A 125 -0.121 -5.688 13.006 1.00 0.00 N ATOM 1988 CA LYS A 125 0.852 -6.776 12.994 1.00 0.00 C ATOM 1989 C LYS A 125 2.284 -6.242 12.897 1.00 0.00 C ATOM 1990 O LYS A 125 3.144 -6.595 13.705 1.00 0.00 O ATOM 1991 CB LYS A 125 0.571 -7.725 11.828 1.00 0.00 C ATOM 1992 CG LYS A 125 -0.420 -8.827 12.166 1.00 0.00 C ATOM 1993 CD LYS A 125 -1.849 -8.397 11.880 1.00 0.00 C ATOM 1994 CE LYS A 125 -2.786 -9.592 11.805 1.00 0.00 C ATOM 1995 NZ LYS A 125 -3.887 -9.375 10.827 1.00 0.00 N ATOM 0 H LYS A 125 -0.710 -5.639 12.175 1.00 0.00 H new ATOM 0 HA LYS A 125 0.755 -7.320 13.933 1.00 0.00 H new ATOM 0 HB2 LYS A 125 0.188 -7.149 10.986 1.00 0.00 H new ATOM 0 HB3 LYS A 125 1.508 -8.177 11.505 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -0.185 -9.720 11.587 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -0.323 -9.095 13.218 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -2.188 -7.716 12.660 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -1.883 -7.847 10.940 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -2.220 -10.480 11.523 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -3.209 -9.784 12.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -4.742 -9.871 11.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -4.086 -8.357 10.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -3.603 -9.745 9.897 1.00 0.00 H new ATOM 2009 N LEU A 126 2.533 -5.399 11.897 1.00 0.00 N ATOM 2010 CA LEU A 126 3.861 -4.824 11.682 1.00 0.00 C ATOM 2011 C LEU A 126 4.142 -3.672 12.649 1.00 0.00 C ATOM 2012 O LEU A 126 5.293 -3.301 12.866 1.00 0.00 O ATOM 2013 CB LEU A 126 4.001 -4.359 10.224 1.00 0.00 C ATOM 2014 CG LEU A 126 4.406 -2.894 10.017 1.00 0.00 C ATOM 2015 CD1 LEU A 126 4.850 -2.664 8.581 1.00 0.00 C ATOM 2016 CD2 LEU A 126 3.254 -1.968 10.374 1.00 0.00 C ATOM 0 H LEU A 126 1.831 -5.098 11.221 1.00 0.00 H new ATOM 0 HA LEU A 126 4.601 -5.599 11.881 1.00 0.00 H new ATOM 0 HB2 LEU A 126 4.740 -4.992 9.732 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.050 -4.527 9.718 1.00 0.00 H new ATOM 0 HG LEU A 126 5.244 -2.670 10.677 1.00 0.00 H new ATOM 0 HD11 LEU A 126 5.134 -1.620 8.451 1.00 0.00 H new ATOM 0 HD12 LEU A 126 5.704 -3.303 8.358 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.030 -2.904 7.904 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.559 -0.933 10.221 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.397 -2.192 9.739 1.00 0.00 H new ATOM 0 HD23 LEU A 126 2.979 -2.115 11.418 1.00 0.00 H new ATOM 2028 N LYS A 127 3.091 -3.101 13.220 1.00 0.00 N ATOM 2029 CA LYS A 127 3.249 -1.992 14.151 1.00 0.00 C ATOM 2030 C LYS A 127 3.954 -2.457 15.409 1.00 0.00 C ATOM 2031 O LYS A 127 4.847 -1.784 15.926 1.00 0.00 O ATOM 2032 CB LYS A 127 1.891 -1.418 14.513 1.00 0.00 C ATOM 2033 CG LYS A 127 1.970 -0.125 15.308 1.00 0.00 C ATOM 2034 CD LYS A 127 0.694 0.690 15.175 1.00 0.00 C ATOM 2035 CE LYS A 127 -0.210 0.510 16.384 1.00 0.00 C ATOM 2036 NZ LYS A 127 -0.008 1.585 17.394 1.00 0.00 N ATOM 0 H LYS A 127 2.125 -3.385 13.057 1.00 0.00 H new ATOM 0 HA LYS A 127 3.850 -1.220 13.671 1.00 0.00 H new ATOM 0 HB2 LYS A 127 1.326 -1.239 13.598 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.336 -2.157 15.091 1.00 0.00 H new ATOM 0 HG2 LYS A 127 2.149 -0.353 16.359 1.00 0.00 H new ATOM 0 HG3 LYS A 127 2.818 0.465 14.961 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.945 1.745 15.061 1.00 0.00 H new ATOM 0 HD3 LYS A 127 0.161 0.389 14.273 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -1.251 0.506 16.061 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -0.015 -0.460 16.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -0.643 1.426 18.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 0.979 1.573 17.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -0.219 2.509 16.965 1.00 0.00 H new ATOM 2050 N ARG A 128 3.556 -3.627 15.887 1.00 0.00 N ATOM 2051 CA ARG A 128 4.157 -4.206 17.073 1.00 0.00 C ATOM 2052 C ARG A 128 5.584 -4.653 16.775 1.00 0.00 C ATOM 2053 O ARG A 128 6.333 -5.016 17.682 1.00 0.00 O ATOM 2054 CB ARG A 128 3.321 -5.391 17.565 1.00 0.00 C ATOM 2055 CG ARG A 128 3.942 -6.141 18.733 1.00 0.00 C ATOM 2056 CD ARG A 128 3.056 -7.287 19.193 1.00 0.00 C ATOM 2057 NE ARG A 128 3.023 -8.377 18.219 1.00 0.00 N ATOM 2058 CZ ARG A 128 2.639 -9.618 18.508 1.00 0.00 C ATOM 2059 NH1 ARG A 128 2.253 -9.932 19.738 1.00 0.00 N ATOM 2060 NH2 ARG A 128 2.640 -10.549 17.564 1.00 0.00 N ATOM 0 H ARG A 128 2.818 -4.193 15.469 1.00 0.00 H new ATOM 0 HA ARG A 128 4.185 -3.449 17.857 1.00 0.00 H new ATOM 0 HB2 ARG A 128 2.336 -5.030 17.860 1.00 0.00 H new ATOM 0 HB3 ARG A 128 3.171 -6.086 16.738 1.00 0.00 H new ATOM 0 HG2 ARG A 128 4.918 -6.529 18.440 1.00 0.00 H new ATOM 0 HG3 ARG A 128 4.108 -5.453 19.562 1.00 0.00 H new ATOM 0 HD2 ARG A 128 3.419 -7.665 20.149 1.00 0.00 H new ATOM 0 HD3 ARG A 128 2.044 -6.919 19.360 1.00 0.00 H new ATOM 0 HE ARG A 128 3.311 -8.174 17.262 1.00 0.00 H new ATOM 0 HH11 ARG A 128 2.249 -9.220 20.469 1.00 0.00 H new ATOM 0 HH12 ARG A 128 1.960 -10.885 19.953 1.00 0.00 H new ATOM 0 HH21 ARG A 128 2.935 -10.314 16.616 1.00 0.00 H new ATOM 0 HH22 ARG A 128 2.346 -11.500 17.785 1.00 0.00 H new ATOM 2074 N LEU A 129 5.961 -4.622 15.494 1.00 0.00 N ATOM 2075 CA LEU A 129 7.309 -5.025 15.099 1.00 0.00 C ATOM 2076 C LEU A 129 8.348 -4.064 15.672 1.00 0.00 C ATOM 2077 O LEU A 129 8.047 -2.905 15.956 1.00 0.00 O ATOM 2078 CB LEU A 129 7.424 -5.110 13.569 1.00 0.00 C ATOM 2079 CG LEU A 129 8.407 -4.131 12.917 1.00 0.00 C ATOM 2080 CD1 LEU A 129 8.604 -4.470 11.447 1.00 0.00 C ATOM 2081 CD2 LEU A 129 7.922 -2.695 13.073 1.00 0.00 C ATOM 0 H LEU A 129 5.360 -4.326 14.724 1.00 0.00 H new ATOM 0 HA LEU A 129 7.504 -6.017 15.507 1.00 0.00 H new ATOM 0 HB2 LEU A 129 7.720 -6.124 13.302 1.00 0.00 H new ATOM 0 HB3 LEU A 129 6.436 -4.943 13.140 1.00 0.00 H new ATOM 0 HG LEU A 129 9.367 -4.225 13.424 1.00 0.00 H new ATOM 0 HD11 LEU A 129 9.305 -3.764 11.002 1.00 0.00 H new ATOM 0 HD12 LEU A 129 9.001 -5.481 11.357 1.00 0.00 H new ATOM 0 HD13 LEU A 129 7.648 -4.408 10.928 1.00 0.00 H new ATOM 0 HD21 LEU A 129 8.635 -2.017 12.603 1.00 0.00 H new ATOM 0 HD22 LEU A 129 6.948 -2.586 12.595 1.00 0.00 H new ATOM 0 HD23 LEU A 129 7.836 -2.453 14.132 1.00 0.00 H new