USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 915 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 HIS : no HE2:sc= -3.13! C(o=-3.1!,f=-4.9!) USER MOD Set 1.2: A 114 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 110 ASN : amide:sc= -2.61! C(o=-2.6!,f=-4.2!) USER MOD Set 2.2: A 111 SER OG : rot 13:sc= 0.00442 USER MOD Set 3.1: A 48 ASN : amide:sc= -0.0354 X(o=-0.035,f=-0.0035) USER MOD Set 3.2: A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 36 THR OG1 : rot -168:sc= 0.496 USER MOD Single : A 38 GLN : amide:sc= -0.518 X(o=-0.52,f=-0.4) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0738 USER MOD Single : A 47 ASN : amide:sc= -1.23! C(o=-1.2!,f=-4.6!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -130:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 37:sc= 0.798 USER MOD Single : A 54 HIS : no HD1:sc= -2.02 K(o=-2,f=-4.4!) USER MOD Single : A 56 ASN : amide:sc= -0.0402 K(o=-0.04,f=-0.88) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -1.35 K(o=-1.3,f=-2) USER MOD Single : A 63 CYS SG : rot 120:sc=-0.00885 USER MOD Single : A 64 GLN : amide:sc= -0.0037 K(o=-0.0037,f=-0.56) USER MOD Single : A 69 TYR OH : rot 150:sc= -0.0166 USER MOD Single : A 71 CYS SG : rot 16:sc= 0.0199 USER MOD Single : A 73 THR OG1 : rot -170:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 87 ASN : amide:sc= -1.2 K(o=-1.2,f=-3.9!) USER MOD Single : A 90 LYS NZ :NH3+ -153:sc= -2.79 (180deg=-4.31!) USER MOD Single : A 91 LYS NZ :NH3+ -149:sc= -0.504 (180deg=-1.58!) USER MOD Single : A 94 GLN : amide:sc= -1.23 K(o=-1.2,f=-0.18) USER MOD Single : A 95 THR OG1 : rot 114:sc= 1.07 USER MOD Single : A 96 THR OG1 : rot 105:sc= 1.06 USER MOD Single : A 97 TYR OH : rot 150:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.0174 X(o=-0.017,f=-0.017) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 150:sc= 0 USER MOD Single : A 109 MET CE :methyl 165:sc= -2.32 (180deg=-2.59!) USER MOD Single : A 115 SER OG : rot -44:sc= 0.717 USER MOD Single : A 120 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.25) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 124 HIS : no HE2:sc= -2.4! X(o=-2.4!,f=-2.3) USER MOD ----------------------------------------------------------------- ATOM 93 N ILE A 10 -1.963 7.268 7.165 1.00 0.00 N ATOM 94 CA ILE A 10 -1.917 6.675 5.834 1.00 0.00 C ATOM 95 C ILE A 10 -3.165 7.027 5.032 1.00 0.00 C ATOM 96 O ILE A 10 -4.282 6.978 5.548 1.00 0.00 O ATOM 97 CB ILE A 10 -1.782 5.142 5.906 1.00 0.00 C ATOM 98 CG1 ILE A 10 -0.514 4.755 6.670 1.00 0.00 C ATOM 99 CG2 ILE A 10 -1.766 4.546 4.506 1.00 0.00 C ATOM 100 CD1 ILE A 10 -0.577 3.375 7.285 1.00 0.00 C ATOM 0 HA ILE A 10 -1.040 7.086 5.335 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.643 4.741 6.441 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.338 4.803 5.992 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.336 5.487 7.458 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.670 3.462 4.573 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.694 4.797 3.993 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.922 4.951 3.948 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.355 3.168 7.811 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.408 3.328 7.988 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.723 2.633 6.500 1.00 0.00 H new ATOM 112 N LEU A 11 -2.968 7.379 3.766 1.00 0.00 N ATOM 113 CA LEU A 11 -4.077 7.738 2.890 1.00 0.00 C ATOM 114 C LEU A 11 -4.127 6.823 1.671 1.00 0.00 C ATOM 115 O LEU A 11 -5.187 6.317 1.304 1.00 0.00 O ATOM 116 CB LEU A 11 -3.950 9.196 2.444 1.00 0.00 C ATOM 117 CG LEU A 11 -4.096 10.250 3.542 1.00 0.00 C ATOM 118 CD1 LEU A 11 -3.422 11.548 3.129 1.00 0.00 C ATOM 119 CD2 LEU A 11 -5.565 10.487 3.861 1.00 0.00 C ATOM 0 H LEU A 11 -2.050 7.423 3.323 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.004 7.616 3.450 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.977 9.326 1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.704 9.388 1.681 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.604 9.880 4.442 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.536 12.286 3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.362 11.367 2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.884 11.923 2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.650 11.240 4.644 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.080 10.835 2.966 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.018 9.556 4.202 1.00 0.00 H new ATOM 131 N PHE A 12 -2.972 6.614 1.048 1.00 0.00 N ATOM 132 CA PHE A 12 -2.882 5.759 -0.130 1.00 0.00 C ATOM 133 C PHE A 12 -2.209 4.433 0.211 1.00 0.00 C ATOM 134 O PHE A 12 -1.157 4.405 0.849 1.00 0.00 O ATOM 135 CB PHE A 12 -2.107 6.466 -1.243 1.00 0.00 C ATOM 136 CG PHE A 12 -2.155 5.745 -2.559 1.00 0.00 C ATOM 137 CD1 PHE A 12 -1.325 4.662 -2.802 1.00 0.00 C ATOM 138 CD2 PHE A 12 -3.030 6.150 -3.555 1.00 0.00 C ATOM 139 CE1 PHE A 12 -1.367 3.996 -4.012 1.00 0.00 C ATOM 140 CE2 PHE A 12 -3.076 5.487 -4.767 1.00 0.00 C ATOM 141 CZ PHE A 12 -2.243 4.409 -4.996 1.00 0.00 C ATOM 0 H PHE A 12 -2.085 7.025 1.339 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.895 5.554 -0.477 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.510 7.470 -1.373 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -1.067 6.577 -0.936 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.637 4.335 -2.036 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.683 6.993 -3.382 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.715 3.153 -4.188 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.763 5.812 -5.535 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.277 3.890 -5.943 1.00 0.00 H new ATOM 151 N ALA A 13 -2.823 3.336 -0.219 1.00 0.00 N ATOM 152 CA ALA A 13 -2.283 2.007 0.038 1.00 0.00 C ATOM 153 C ALA A 13 -2.821 0.992 -0.965 1.00 0.00 C ATOM 154 O ALA A 13 -4.027 0.757 -1.040 1.00 0.00 O ATOM 155 CB ALA A 13 -2.609 1.571 1.459 1.00 0.00 C ATOM 0 H ALA A 13 -3.695 3.342 -0.747 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.200 2.053 -0.077 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.200 0.577 1.637 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.171 2.276 2.165 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.690 1.548 1.593 1.00 0.00 H new ATOM 161 N VAL A 14 -1.918 0.392 -1.735 1.00 0.00 N ATOM 162 CA VAL A 14 -2.302 -0.598 -2.734 1.00 0.00 C ATOM 163 C VAL A 14 -1.349 -1.788 -2.723 1.00 0.00 C ATOM 164 O VAL A 14 -0.265 -1.723 -2.144 1.00 0.00 O ATOM 165 CB VAL A 14 -2.328 0.012 -4.148 1.00 0.00 C ATOM 166 CG1 VAL A 14 -3.154 1.289 -4.164 1.00 0.00 C ATOM 167 CG2 VAL A 14 -0.913 0.277 -4.640 1.00 0.00 C ATOM 0 H VAL A 14 -0.916 0.575 -1.686 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.305 -0.937 -2.474 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.796 -0.703 -4.824 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.161 1.705 -5.171 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.176 1.065 -3.857 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.718 2.013 -3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.950 0.708 -5.641 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.417 0.973 -3.963 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.356 -0.660 -4.669 1.00 0.00 H new ATOM 177 N VAL A 15 -1.762 -2.875 -3.367 1.00 0.00 N ATOM 178 CA VAL A 15 -0.944 -4.081 -3.433 1.00 0.00 C ATOM 179 C VAL A 15 -0.651 -4.467 -4.878 1.00 0.00 C ATOM 180 O VAL A 15 -1.566 -4.719 -5.662 1.00 0.00 O ATOM 181 CB VAL A 15 -1.631 -5.264 -2.725 1.00 0.00 C ATOM 182 CG1 VAL A 15 -0.763 -6.511 -2.806 1.00 0.00 C ATOM 183 CG2 VAL A 15 -1.940 -4.912 -1.278 1.00 0.00 C ATOM 0 H VAL A 15 -2.657 -2.946 -3.850 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.007 -3.857 -2.923 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.573 -5.472 -3.233 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.264 -7.337 -2.301 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.598 -6.772 -3.851 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.196 -6.319 -2.324 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.425 -5.759 -0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.013 -4.676 -0.755 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.604 -4.048 -1.247 1.00 0.00 H new ATOM 193 N ALA A 16 0.632 -4.514 -5.224 1.00 0.00 N ATOM 194 CA ALA A 16 1.046 -4.873 -6.574 1.00 0.00 C ATOM 195 C ALA A 16 2.286 -5.760 -6.550 1.00 0.00 C ATOM 196 O ALA A 16 3.157 -5.602 -5.695 1.00 0.00 O ATOM 197 CB ALA A 16 1.307 -3.619 -7.397 1.00 0.00 C ATOM 0 H ALA A 16 1.402 -4.308 -4.587 1.00 0.00 H new ATOM 0 HA ALA A 16 0.237 -5.437 -7.038 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.616 -3.902 -8.403 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.396 -3.023 -7.451 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.097 -3.033 -6.927 1.00 0.00 H new ATOM 203 N ARG A 17 2.359 -6.692 -7.495 1.00 0.00 N ATOM 204 CA ARG A 17 3.492 -7.605 -7.580 1.00 0.00 C ATOM 205 C ARG A 17 4.490 -7.137 -8.636 1.00 0.00 C ATOM 206 O ARG A 17 4.344 -7.439 -9.819 1.00 0.00 O ATOM 207 CB ARG A 17 3.011 -9.020 -7.910 1.00 0.00 C ATOM 208 CG ARG A 17 2.168 -9.097 -9.173 1.00 0.00 C ATOM 209 CD ARG A 17 1.477 -10.445 -9.298 1.00 0.00 C ATOM 210 NE ARG A 17 1.081 -10.731 -10.675 1.00 0.00 N ATOM 211 CZ ARG A 17 1.895 -11.270 -11.576 1.00 0.00 C ATOM 212 NH1 ARG A 17 3.141 -11.581 -11.248 1.00 0.00 N ATOM 213 NH2 ARG A 17 1.462 -11.501 -12.809 1.00 0.00 N ATOM 0 H ARG A 17 1.647 -6.834 -8.212 1.00 0.00 H new ATOM 0 HA ARG A 17 3.992 -7.615 -6.611 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.877 -9.673 -8.021 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.429 -9.402 -7.071 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.421 -8.303 -9.162 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.800 -8.928 -10.045 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.145 -11.229 -8.943 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.596 -10.462 -8.656 1.00 0.00 H new ATOM 0 HE ARG A 17 0.128 -10.505 -10.960 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.478 -11.407 -10.301 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.763 -11.995 -11.942 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.504 -11.265 -13.066 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.088 -11.915 -13.500 1.00 0.00 H new ATOM 227 N GLY A 18 5.503 -6.396 -8.198 1.00 0.00 N ATOM 228 CA GLY A 18 6.509 -5.897 -9.118 1.00 0.00 C ATOM 229 C GLY A 18 5.982 -4.789 -10.008 1.00 0.00 C ATOM 230 O GLY A 18 6.142 -3.607 -9.701 1.00 0.00 O ATOM 0 H GLY A 18 5.645 -6.132 -7.223 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.364 -5.528 -8.551 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.868 -6.718 -9.739 1.00 0.00 H new ATOM 234 N THR A 19 5.353 -5.170 -11.115 1.00 0.00 N ATOM 235 CA THR A 19 4.804 -4.200 -12.054 1.00 0.00 C ATOM 236 C THR A 19 3.381 -4.570 -12.456 1.00 0.00 C ATOM 237 O THR A 19 2.954 -4.308 -13.581 1.00 0.00 O ATOM 238 CB THR A 19 5.672 -4.092 -13.322 1.00 0.00 C ATOM 239 OG1 THR A 19 6.011 -5.400 -13.796 1.00 0.00 O ATOM 240 CG2 THR A 19 6.942 -3.303 -13.043 1.00 0.00 C ATOM 0 H THR A 19 5.211 -6.144 -11.383 1.00 0.00 H new ATOM 0 HA THR A 19 4.796 -3.236 -11.545 1.00 0.00 H new ATOM 0 HB THR A 19 5.098 -3.567 -14.085 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.561 -5.323 -14.603 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.539 -3.240 -13.953 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.681 -2.298 -12.710 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.518 -3.804 -12.265 1.00 0.00 H new ATOM 248 N THR A 20 2.648 -5.179 -11.530 1.00 0.00 N ATOM 249 CA THR A 20 1.272 -5.585 -11.788 1.00 0.00 C ATOM 250 C THR A 20 0.402 -5.394 -10.551 1.00 0.00 C ATOM 251 O THR A 20 0.533 -6.124 -9.569 1.00 0.00 O ATOM 252 CB THR A 20 1.195 -7.058 -12.233 1.00 0.00 C ATOM 253 OG1 THR A 20 2.003 -7.260 -13.398 1.00 0.00 O ATOM 254 CG2 THR A 20 -0.242 -7.458 -12.530 1.00 0.00 C ATOM 0 H THR A 20 2.985 -5.402 -10.593 1.00 0.00 H new ATOM 0 HA THR A 20 0.900 -4.950 -12.592 1.00 0.00 H new ATOM 0 HB THR A 20 1.568 -7.681 -11.420 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.950 -8.199 -13.674 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.272 -8.502 -12.842 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.848 -7.330 -11.633 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.637 -6.829 -13.328 1.00 0.00 H new ATOM 262 N ILE A 21 -0.488 -4.408 -10.607 1.00 0.00 N ATOM 263 CA ILE A 21 -1.382 -4.123 -9.491 1.00 0.00 C ATOM 264 C ILE A 21 -2.567 -5.082 -9.477 1.00 0.00 C ATOM 265 O ILE A 21 -3.328 -5.160 -10.442 1.00 0.00 O ATOM 266 CB ILE A 21 -1.907 -2.676 -9.547 1.00 0.00 C ATOM 267 CG1 ILE A 21 -0.741 -1.686 -9.538 1.00 0.00 C ATOM 268 CG2 ILE A 21 -2.845 -2.408 -8.379 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.102 -0.322 -10.081 1.00 0.00 C ATOM 0 H ILE A 21 -0.609 -3.794 -11.412 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.801 -4.255 -8.579 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.464 -2.543 -10.474 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.376 -1.576 -8.517 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.079 -2.097 -10.127 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.208 -1.382 -8.432 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.690 -3.095 -8.426 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.310 -2.556 -7.441 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.227 0.327 -10.044 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.439 -0.419 -11.113 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.900 0.110 -9.478 1.00 0.00 H new ATOM 281 N LEU A 22 -2.719 -5.810 -8.376 1.00 0.00 N ATOM 282 CA LEU A 22 -3.814 -6.764 -8.234 1.00 0.00 C ATOM 283 C LEU A 22 -5.015 -6.117 -7.552 1.00 0.00 C ATOM 284 O LEU A 22 -6.157 -6.318 -7.962 1.00 0.00 O ATOM 285 CB LEU A 22 -3.353 -7.983 -7.433 1.00 0.00 C ATOM 286 CG LEU A 22 -2.074 -8.663 -7.923 1.00 0.00 C ATOM 287 CD1 LEU A 22 -1.362 -9.353 -6.770 1.00 0.00 C ATOM 288 CD2 LEU A 22 -2.390 -9.659 -9.029 1.00 0.00 C ATOM 0 H LEU A 22 -2.098 -5.758 -7.569 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.116 -7.085 -9.231 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.204 -7.677 -6.397 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.156 -8.720 -7.436 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.411 -7.899 -8.328 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.454 -9.832 -7.137 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.102 -8.616 -6.010 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.019 -10.106 -6.335 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.468 -10.133 -9.366 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.072 -10.420 -8.650 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.856 -9.138 -9.865 1.00 0.00 H new ATOM 300 N ALA A 23 -4.747 -5.337 -6.509 1.00 0.00 N ATOM 301 CA ALA A 23 -5.805 -4.657 -5.772 1.00 0.00 C ATOM 302 C ALA A 23 -5.351 -3.278 -5.306 1.00 0.00 C ATOM 303 O ALA A 23 -4.428 -3.157 -4.501 1.00 0.00 O ATOM 304 CB ALA A 23 -6.247 -5.499 -4.584 1.00 0.00 C ATOM 0 H ALA A 23 -3.806 -5.161 -6.156 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.653 -4.524 -6.444 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.037 -4.979 -4.043 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.621 -6.460 -4.938 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.399 -5.663 -3.919 1.00 0.00 H new ATOM 310 N LYS A 24 -6.005 -2.241 -5.818 1.00 0.00 N ATOM 311 CA LYS A 24 -5.669 -0.869 -5.454 1.00 0.00 C ATOM 312 C LYS A 24 -6.857 -0.174 -4.797 1.00 0.00 C ATOM 313 O LYS A 24 -7.998 -0.325 -5.236 1.00 0.00 O ATOM 314 CB LYS A 24 -5.226 -0.086 -6.691 1.00 0.00 C ATOM 315 CG LYS A 24 -6.307 0.040 -7.751 1.00 0.00 C ATOM 316 CD LYS A 24 -6.088 1.260 -8.629 1.00 0.00 C ATOM 317 CE LYS A 24 -7.339 1.608 -9.422 1.00 0.00 C ATOM 318 NZ LYS A 24 -8.335 2.342 -8.593 1.00 0.00 N ATOM 0 H LYS A 24 -6.771 -2.324 -6.486 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.848 -0.900 -4.738 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.911 0.912 -6.385 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.356 -0.576 -7.128 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.317 -0.857 -8.370 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.283 0.107 -7.270 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.801 2.109 -8.009 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.262 1.073 -9.315 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.065 2.216 -10.284 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.791 0.694 -9.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.173 2.561 -9.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.616 1.752 -7.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.913 3.227 -8.246 1.00 0.00 H new ATOM 332 N HIS A 25 -6.583 0.589 -3.744 1.00 0.00 N ATOM 333 CA HIS A 25 -7.630 1.309 -3.028 1.00 0.00 C ATOM 334 C HIS A 25 -7.042 2.468 -2.228 1.00 0.00 C ATOM 335 O HIS A 25 -6.374 2.259 -1.215 1.00 0.00 O ATOM 336 CB HIS A 25 -8.385 0.361 -2.097 1.00 0.00 C ATOM 337 CG HIS A 25 -9.270 1.066 -1.114 1.00 0.00 C ATOM 338 ND1 HIS A 25 -10.563 1.446 -1.403 1.00 0.00 N ATOM 339 CD2 HIS A 25 -9.041 1.456 0.162 1.00 0.00 C ATOM 340 CE1 HIS A 25 -11.090 2.042 -0.349 1.00 0.00 C ATOM 341 NE2 HIS A 25 -10.187 2.061 0.614 1.00 0.00 N ATOM 0 H HIS A 25 -5.645 0.725 -3.367 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.326 1.714 -3.762 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.991 -0.318 -2.697 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.665 -0.250 -1.552 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -11.038 1.291 -2.292 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -8.127 1.317 0.720 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -12.090 2.445 -0.286 1.00 0.00 H new ATOM 350 N ALA A 26 -7.296 3.688 -2.689 1.00 0.00 N ATOM 351 CA ALA A 26 -6.793 4.879 -2.015 1.00 0.00 C ATOM 352 C ALA A 26 -7.913 5.884 -1.769 1.00 0.00 C ATOM 353 O ALA A 26 -8.989 5.785 -2.358 1.00 0.00 O ATOM 354 CB ALA A 26 -5.679 5.517 -2.831 1.00 0.00 C ATOM 0 H ALA A 26 -7.847 3.878 -3.526 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.392 4.577 -1.048 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.313 6.405 -2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.862 4.805 -2.951 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.062 5.799 -3.812 1.00 0.00 H new ATOM 360 N TRP A 27 -7.653 6.850 -0.895 1.00 0.00 N ATOM 361 CA TRP A 27 -8.640 7.873 -0.570 1.00 0.00 C ATOM 362 C TRP A 27 -8.812 8.850 -1.728 1.00 0.00 C ATOM 363 O TRP A 27 -7.882 9.079 -2.502 1.00 0.00 O ATOM 364 CB TRP A 27 -8.226 8.628 0.694 1.00 0.00 C ATOM 365 CG TRP A 27 -8.651 7.947 1.959 1.00 0.00 C ATOM 366 CD1 TRP A 27 -8.080 6.845 2.529 1.00 0.00 C ATOM 367 CD2 TRP A 27 -9.740 8.322 2.810 1.00 0.00 C ATOM 368 NE1 TRP A 27 -8.748 6.512 3.682 1.00 0.00 N ATOM 369 CE2 TRP A 27 -9.769 7.404 3.878 1.00 0.00 C ATOM 370 CE3 TRP A 27 -10.691 9.345 2.776 1.00 0.00 C ATOM 371 CZ2 TRP A 27 -10.714 7.479 4.898 1.00 0.00 C ATOM 372 CZ3 TRP A 27 -11.628 9.418 3.789 1.00 0.00 C ATOM 373 CH2 TRP A 27 -11.633 8.491 4.839 1.00 0.00 C ATOM 0 H TRP A 27 -6.767 6.946 -0.399 1.00 0.00 H new ATOM 0 HA TRP A 27 -9.595 7.378 -0.392 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.142 8.746 0.700 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -8.655 9.630 0.667 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -7.228 6.313 2.131 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.521 5.728 4.293 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -10.694 10.066 1.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -10.721 6.764 5.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.369 10.203 3.771 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.377 8.577 5.617 1.00 0.00 H new ATOM 384 N CYS A 28 -10.005 9.424 -1.840 1.00 0.00 N ATOM 385 CA CYS A 28 -10.298 10.376 -2.905 1.00 0.00 C ATOM 386 C CYS A 28 -9.650 11.727 -2.619 1.00 0.00 C ATOM 387 O CYS A 28 -10.005 12.407 -1.658 1.00 0.00 O ATOM 388 CB CYS A 28 -11.810 10.546 -3.064 1.00 0.00 C ATOM 389 SG CYS A 28 -12.290 11.691 -4.379 1.00 0.00 S ATOM 0 H CYS A 28 -10.785 9.247 -1.207 1.00 0.00 H new ATOM 0 HA CYS A 28 -9.884 9.983 -3.834 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.255 9.572 -3.265 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.226 10.898 -2.120 1.00 0.00 H new ATOM 0 HG CYS A 28 -13.587 11.766 -4.437 1.00 0.00 H new ATOM 395 N GLY A 29 -8.694 12.109 -3.462 1.00 0.00 N ATOM 396 CA GLY A 29 -8.010 13.376 -3.282 1.00 0.00 C ATOM 397 C GLY A 29 -6.648 13.399 -3.948 1.00 0.00 C ATOM 398 O GLY A 29 -5.619 13.412 -3.273 1.00 0.00 O ATOM 0 H GLY A 29 -8.382 11.564 -4.265 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.624 14.178 -3.690 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.894 13.574 -2.217 1.00 0.00 H new ATOM 402 N GLY A 30 -6.641 13.402 -5.277 1.00 0.00 N ATOM 403 CA GLY A 30 -5.390 13.421 -6.012 1.00 0.00 C ATOM 404 C GLY A 30 -5.087 12.093 -6.676 1.00 0.00 C ATOM 405 O GLY A 30 -5.622 11.058 -6.282 1.00 0.00 O ATOM 0 H GLY A 30 -7.479 13.392 -5.858 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.430 14.202 -6.771 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.577 13.678 -5.333 1.00 0.00 H new ATOM 409 N ASN A 31 -4.227 12.122 -7.690 1.00 0.00 N ATOM 410 CA ASN A 31 -3.856 10.911 -8.412 1.00 0.00 C ATOM 411 C ASN A 31 -2.494 10.399 -7.951 1.00 0.00 C ATOM 412 O ASN A 31 -1.464 11.022 -8.211 1.00 0.00 O ATOM 413 CB ASN A 31 -3.830 11.178 -9.918 1.00 0.00 C ATOM 414 CG ASN A 31 -5.217 11.398 -10.490 1.00 0.00 C ATOM 415 OD1 ASN A 31 -5.483 12.418 -11.126 1.00 0.00 O ATOM 416 ND2 ASN A 31 -6.109 10.440 -10.265 1.00 0.00 N ATOM 0 H ASN A 31 -3.775 12.971 -8.030 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.603 10.147 -8.198 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.214 12.055 -10.118 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.360 10.336 -10.426 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -7.059 10.533 -10.625 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.844 9.611 -9.732 1.00 0.00 H new ATOM 423 N PHE A 32 -2.497 9.259 -7.267 1.00 0.00 N ATOM 424 CA PHE A 32 -1.262 8.663 -6.770 1.00 0.00 C ATOM 425 C PHE A 32 -0.862 7.457 -7.615 1.00 0.00 C ATOM 426 O PHE A 32 0.316 7.260 -7.918 1.00 0.00 O ATOM 427 CB PHE A 32 -1.426 8.244 -5.308 1.00 0.00 C ATOM 428 CG PHE A 32 -1.108 9.339 -4.331 1.00 0.00 C ATOM 429 CD1 PHE A 32 0.164 9.887 -4.274 1.00 0.00 C ATOM 430 CD2 PHE A 32 -2.081 9.822 -3.470 1.00 0.00 C ATOM 431 CE1 PHE A 32 0.459 10.894 -3.375 1.00 0.00 C ATOM 432 CE2 PHE A 32 -1.791 10.830 -2.569 1.00 0.00 C ATOM 433 CZ PHE A 32 -0.520 11.367 -2.523 1.00 0.00 C ATOM 0 H PHE A 32 -3.340 8.730 -7.044 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.472 9.411 -6.840 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.451 7.911 -5.147 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.778 7.390 -5.108 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.933 9.523 -4.939 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.077 9.406 -3.503 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.455 11.311 -3.338 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.558 11.197 -1.902 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.291 12.156 -1.822 1.00 0.00 H new ATOM 443 N LEU A 33 -1.850 6.653 -7.993 1.00 0.00 N ATOM 444 CA LEU A 33 -1.602 5.465 -8.803 1.00 0.00 C ATOM 445 C LEU A 33 -0.489 5.719 -9.815 1.00 0.00 C ATOM 446 O LEU A 33 0.360 4.858 -10.046 1.00 0.00 O ATOM 447 CB LEU A 33 -2.881 5.043 -9.528 1.00 0.00 C ATOM 448 CG LEU A 33 -2.744 3.873 -10.503 1.00 0.00 C ATOM 449 CD1 LEU A 33 -2.558 2.567 -9.747 1.00 0.00 C ATOM 450 CD2 LEU A 33 -3.959 3.795 -11.416 1.00 0.00 C ATOM 0 H LEU A 33 -2.830 6.802 -7.752 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.286 4.661 -8.139 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.629 4.781 -8.780 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.265 5.903 -10.076 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.861 4.040 -11.120 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.462 1.746 -10.457 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.657 2.625 -9.136 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.421 2.392 -9.105 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.844 2.957 -12.103 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.857 3.652 -10.815 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.047 4.721 -11.985 1.00 0.00 H new ATOM 462 N GLU A 34 -0.500 6.906 -10.414 1.00 0.00 N ATOM 463 CA GLU A 34 0.510 7.272 -11.400 1.00 0.00 C ATOM 464 C GLU A 34 1.914 7.132 -10.819 1.00 0.00 C ATOM 465 O GLU A 34 2.677 6.250 -11.215 1.00 0.00 O ATOM 466 CB GLU A 34 0.286 8.707 -11.882 1.00 0.00 C ATOM 467 CG GLU A 34 -0.795 8.831 -12.943 1.00 0.00 C ATOM 468 CD GLU A 34 -0.915 10.239 -13.491 1.00 0.00 C ATOM 469 OE1 GLU A 34 -0.092 10.614 -14.352 1.00 0.00 O ATOM 470 OE2 GLU A 34 -1.833 10.967 -13.059 1.00 0.00 O ATOM 0 H GLU A 34 -1.196 7.629 -10.234 1.00 0.00 H new ATOM 0 HA GLU A 34 0.417 6.593 -12.247 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.019 9.330 -11.029 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.222 9.097 -12.282 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.577 8.144 -13.761 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.752 8.527 -12.519 1.00 0.00 H new ATOM 477 N VAL A 35 2.249 8.009 -9.878 1.00 0.00 N ATOM 478 CA VAL A 35 3.560 7.984 -9.241 1.00 0.00 C ATOM 479 C VAL A 35 3.848 6.617 -8.629 1.00 0.00 C ATOM 480 O VAL A 35 4.997 6.178 -8.574 1.00 0.00 O ATOM 481 CB VAL A 35 3.673 9.059 -8.144 1.00 0.00 C ATOM 482 CG1 VAL A 35 3.030 8.574 -6.853 1.00 0.00 C ATOM 483 CG2 VAL A 35 5.128 9.437 -7.916 1.00 0.00 C ATOM 0 H VAL A 35 1.630 8.746 -9.540 1.00 0.00 H new ATOM 0 HA VAL A 35 4.293 8.192 -10.020 1.00 0.00 H new ATOM 0 HB VAL A 35 3.139 9.949 -8.476 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.119 9.347 -6.089 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.976 8.359 -7.030 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.533 7.669 -6.514 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.189 10.198 -7.138 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.689 8.555 -7.606 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.551 9.830 -8.841 1.00 0.00 H new ATOM 493 N THR A 36 2.796 5.947 -8.170 1.00 0.00 N ATOM 494 CA THR A 36 2.934 4.630 -7.561 1.00 0.00 C ATOM 495 C THR A 36 3.441 3.608 -8.572 1.00 0.00 C ATOM 496 O THR A 36 4.377 2.859 -8.294 1.00 0.00 O ATOM 497 CB THR A 36 1.597 4.138 -6.976 1.00 0.00 C ATOM 498 OG1 THR A 36 1.132 5.054 -5.978 1.00 0.00 O ATOM 499 CG2 THR A 36 1.750 2.752 -6.367 1.00 0.00 C ATOM 0 H THR A 36 1.838 6.295 -8.208 1.00 0.00 H new ATOM 0 HA THR A 36 3.660 4.729 -6.754 1.00 0.00 H new ATOM 0 HB THR A 36 0.870 4.084 -7.786 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.394 4.647 -5.478 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.793 2.426 -5.960 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.076 2.051 -7.135 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.491 2.785 -5.568 1.00 0.00 H new ATOM 507 N GLU A 37 2.816 3.583 -9.745 1.00 0.00 N ATOM 508 CA GLU A 37 3.205 2.651 -10.797 1.00 0.00 C ATOM 509 C GLU A 37 4.658 2.872 -11.210 1.00 0.00 C ATOM 510 O GLU A 37 5.429 1.921 -11.334 1.00 0.00 O ATOM 511 CB GLU A 37 2.289 2.807 -12.012 1.00 0.00 C ATOM 512 CG GLU A 37 0.903 2.217 -11.809 1.00 0.00 C ATOM 513 CD GLU A 37 0.276 1.742 -13.105 1.00 0.00 C ATOM 514 OE1 GLU A 37 -0.194 2.596 -13.886 1.00 0.00 O ATOM 515 OE2 GLU A 37 0.254 0.515 -13.338 1.00 0.00 O ATOM 0 H GLU A 37 2.039 4.197 -9.991 1.00 0.00 H new ATOM 0 HA GLU A 37 3.107 1.639 -10.405 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.192 3.866 -12.250 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.756 2.328 -12.873 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.967 1.381 -11.113 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.257 2.966 -11.350 1.00 0.00 H new ATOM 522 N GLN A 38 5.021 4.132 -11.422 1.00 0.00 N ATOM 523 CA GLN A 38 6.380 4.478 -11.823 1.00 0.00 C ATOM 524 C GLN A 38 7.396 3.932 -10.826 1.00 0.00 C ATOM 525 O GLN A 38 8.432 3.390 -11.214 1.00 0.00 O ATOM 526 CB GLN A 38 6.528 5.996 -11.942 1.00 0.00 C ATOM 527 CG GLN A 38 5.887 6.574 -13.193 1.00 0.00 C ATOM 528 CD GLN A 38 6.160 5.738 -14.428 1.00 0.00 C ATOM 529 OE1 GLN A 38 7.196 5.888 -15.077 1.00 0.00 O ATOM 530 NE2 GLN A 38 5.230 4.851 -14.760 1.00 0.00 N ATOM 0 H GLN A 38 4.394 4.930 -11.323 1.00 0.00 H new ATOM 0 HA GLN A 38 6.573 4.025 -12.795 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.082 6.466 -11.065 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.588 6.251 -11.936 1.00 0.00 H new ATOM 0 HG2 GLN A 38 4.810 6.652 -13.042 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.260 7.585 -13.354 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.387 4.760 -14.194 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.359 4.260 -15.581 1.00 0.00 H new ATOM 539 N ILE A 39 7.095 4.080 -9.540 1.00 0.00 N ATOM 540 CA ILE A 39 7.983 3.601 -8.488 1.00 0.00 C ATOM 541 C ILE A 39 8.069 2.078 -8.493 1.00 0.00 C ATOM 542 O ILE A 39 9.154 1.506 -8.374 1.00 0.00 O ATOM 543 CB ILE A 39 7.516 4.073 -7.099 1.00 0.00 C ATOM 544 CG1 ILE A 39 7.538 5.601 -7.021 1.00 0.00 C ATOM 545 CG2 ILE A 39 8.392 3.469 -6.011 1.00 0.00 C ATOM 546 CD1 ILE A 39 8.931 6.180 -6.905 1.00 0.00 C ATOM 0 H ILE A 39 6.243 4.528 -9.202 1.00 0.00 H new ATOM 0 HA ILE A 39 8.969 4.019 -8.692 1.00 0.00 H new ATOM 0 HB ILE A 39 6.492 3.735 -6.943 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.056 6.009 -7.910 1.00 0.00 H new ATOM 0 HG13 ILE A 39 6.947 5.922 -6.163 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.049 3.812 -5.035 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.330 2.382 -6.056 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.426 3.780 -6.162 1.00 0.00 H new ATOM 0 HD11 ILE A 39 8.870 7.267 -6.854 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.409 5.801 -6.002 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.519 5.890 -7.776 1.00 0.00 H new ATOM 558 N LEU A 40 6.920 1.426 -8.632 1.00 0.00 N ATOM 559 CA LEU A 40 6.865 -0.031 -8.654 1.00 0.00 C ATOM 560 C LEU A 40 7.869 -0.599 -9.653 1.00 0.00 C ATOM 561 O LEU A 40 8.670 -1.470 -9.315 1.00 0.00 O ATOM 562 CB LEU A 40 5.454 -0.503 -9.009 1.00 0.00 C ATOM 563 CG LEU A 40 4.387 -0.298 -7.933 1.00 0.00 C ATOM 564 CD1 LEU A 40 3.016 -0.692 -8.458 1.00 0.00 C ATOM 565 CD2 LEU A 40 4.731 -1.095 -6.683 1.00 0.00 C ATOM 0 H LEU A 40 6.014 1.884 -8.731 1.00 0.00 H new ATOM 0 HA LEU A 40 7.124 -0.394 -7.659 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.135 0.017 -9.912 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.498 -1.565 -9.251 1.00 0.00 H new ATOM 0 HG LEU A 40 4.362 0.760 -7.670 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.270 -0.539 -7.678 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.767 -0.078 -9.323 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.026 -1.742 -8.750 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.961 -0.937 -5.928 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.785 -2.155 -6.931 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.694 -0.764 -6.294 1.00 0.00 H new ATOM 577 N ALA A 41 7.821 -0.097 -10.882 1.00 0.00 N ATOM 578 CA ALA A 41 8.729 -0.551 -11.928 1.00 0.00 C ATOM 579 C ALA A 41 10.181 -0.457 -11.474 1.00 0.00 C ATOM 580 O ALA A 41 11.069 -1.072 -12.064 1.00 0.00 O ATOM 581 CB ALA A 41 8.518 0.259 -13.199 1.00 0.00 C ATOM 0 H ALA A 41 7.163 0.624 -11.178 1.00 0.00 H new ATOM 0 HA ALA A 41 8.508 -1.598 -12.136 1.00 0.00 H new ATOM 0 HB1 ALA A 41 9.203 -0.091 -13.971 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.491 0.137 -13.542 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.709 1.313 -12.995 1.00 0.00 H new ATOM 587 N LYS A 42 10.418 0.318 -10.421 1.00 0.00 N ATOM 588 CA LYS A 42 11.762 0.494 -9.886 1.00 0.00 C ATOM 589 C LYS A 42 11.994 -0.420 -8.686 1.00 0.00 C ATOM 590 O LYS A 42 13.115 -0.867 -8.442 1.00 0.00 O ATOM 591 CB LYS A 42 11.986 1.952 -9.480 1.00 0.00 C ATOM 592 CG LYS A 42 12.119 2.899 -10.661 1.00 0.00 C ATOM 593 CD LYS A 42 11.815 4.333 -10.263 1.00 0.00 C ATOM 594 CE LYS A 42 11.242 5.126 -11.428 1.00 0.00 C ATOM 595 NZ LYS A 42 11.235 6.589 -11.153 1.00 0.00 N ATOM 0 H LYS A 42 9.695 0.835 -9.921 1.00 0.00 H new ATOM 0 HA LYS A 42 12.474 0.228 -10.667 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.155 2.278 -8.855 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.887 2.016 -8.870 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.130 2.839 -11.065 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.440 2.589 -11.455 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.107 4.339 -9.434 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.726 4.814 -9.907 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.828 4.928 -12.325 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.225 4.790 -11.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.837 7.094 -11.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.655 6.781 -10.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.208 6.915 -10.984 1.00 0.00 H new ATOM 609 N ILE A 43 10.928 -0.694 -7.942 1.00 0.00 N ATOM 610 CA ILE A 43 11.016 -1.556 -6.770 1.00 0.00 C ATOM 611 C ILE A 43 11.122 -3.022 -7.174 1.00 0.00 C ATOM 612 O ILE A 43 10.293 -3.550 -7.916 1.00 0.00 O ATOM 613 CB ILE A 43 9.796 -1.376 -5.847 1.00 0.00 C ATOM 614 CG1 ILE A 43 9.727 0.063 -5.332 1.00 0.00 C ATOM 615 CG2 ILE A 43 9.862 -2.357 -4.686 1.00 0.00 C ATOM 616 CD1 ILE A 43 8.505 0.344 -4.485 1.00 0.00 C ATOM 0 H ILE A 43 9.993 -0.332 -8.130 1.00 0.00 H new ATOM 0 HA ILE A 43 11.917 -1.264 -6.229 1.00 0.00 H new ATOM 0 HB ILE A 43 8.892 -1.581 -6.420 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.622 0.274 -4.746 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.735 0.745 -6.182 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.993 -2.218 -4.042 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.869 -3.377 -5.071 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.771 -2.180 -4.111 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.522 1.383 -4.155 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.605 0.165 -5.074 1.00 0.00 H new ATOM 0 HD13 ILE A 43 8.506 -0.313 -3.615 1.00 0.00 H new ATOM 628 N PRO A 44 12.166 -3.700 -6.673 1.00 0.00 N ATOM 629 CA PRO A 44 12.404 -5.116 -6.966 1.00 0.00 C ATOM 630 C PRO A 44 11.373 -6.026 -6.307 1.00 0.00 C ATOM 631 O PRO A 44 10.892 -5.743 -5.210 1.00 0.00 O ATOM 632 CB PRO A 44 13.794 -5.371 -6.378 1.00 0.00 C ATOM 633 CG PRO A 44 13.946 -4.347 -5.306 1.00 0.00 C ATOM 634 CD PRO A 44 13.193 -3.135 -5.782 1.00 0.00 C ATOM 0 HA PRO A 44 12.331 -5.329 -8.033 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.874 -6.381 -5.975 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.570 -5.268 -7.137 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.544 -4.710 -4.360 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.997 -4.112 -5.137 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.747 -2.587 -4.952 1.00 0.00 H new ATOM 0 HD3 PRO A 44 13.845 -2.439 -6.310 1.00 0.00 H new ATOM 642 N SER A 45 11.037 -7.120 -6.984 1.00 0.00 N ATOM 643 CA SER A 45 10.060 -8.070 -6.465 1.00 0.00 C ATOM 644 C SER A 45 10.730 -9.101 -5.563 1.00 0.00 C ATOM 645 O SER A 45 10.344 -10.270 -5.546 1.00 0.00 O ATOM 646 CB SER A 45 9.341 -8.774 -7.618 1.00 0.00 C ATOM 647 OG SER A 45 8.758 -7.835 -8.505 1.00 0.00 O ATOM 0 H SER A 45 11.427 -7.370 -7.893 1.00 0.00 H new ATOM 0 HA SER A 45 9.330 -7.517 -5.874 1.00 0.00 H new ATOM 0 HB2 SER A 45 10.047 -9.402 -8.161 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.568 -9.432 -7.221 1.00 0.00 H new ATOM 0 HG SER A 45 8.306 -8.310 -9.234 1.00 0.00 H new ATOM 653 N GLU A 46 11.737 -8.659 -4.816 1.00 0.00 N ATOM 654 CA GLU A 46 12.462 -9.544 -3.912 1.00 0.00 C ATOM 655 C GLU A 46 12.195 -9.173 -2.456 1.00 0.00 C ATOM 656 O GLU A 46 11.858 -8.031 -2.148 1.00 0.00 O ATOM 657 CB GLU A 46 13.964 -9.483 -4.198 1.00 0.00 C ATOM 658 CG GLU A 46 14.394 -10.336 -5.380 1.00 0.00 C ATOM 659 CD GLU A 46 15.880 -10.235 -5.662 1.00 0.00 C ATOM 660 OE1 GLU A 46 16.678 -10.612 -4.779 1.00 0.00 O ATOM 661 OE2 GLU A 46 16.246 -9.778 -6.765 1.00 0.00 O ATOM 0 H GLU A 46 12.069 -7.695 -4.819 1.00 0.00 H new ATOM 0 HA GLU A 46 12.108 -10.561 -4.080 1.00 0.00 H new ATOM 0 HB2 GLU A 46 14.248 -8.447 -4.386 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.508 -9.807 -3.310 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.135 -11.377 -5.186 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.838 -10.029 -6.266 1.00 0.00 H new ATOM 668 N ASN A 47 12.349 -10.147 -1.565 1.00 0.00 N ATOM 669 CA ASN A 47 12.123 -9.923 -0.142 1.00 0.00 C ATOM 670 C ASN A 47 13.058 -8.844 0.394 1.00 0.00 C ATOM 671 O ASN A 47 14.079 -9.144 1.012 1.00 0.00 O ATOM 672 CB ASN A 47 12.326 -11.224 0.639 1.00 0.00 C ATOM 673 CG ASN A 47 13.755 -11.726 0.563 1.00 0.00 C ATOM 674 OD1 ASN A 47 14.374 -11.714 -0.501 1.00 0.00 O ATOM 675 ND2 ASN A 47 14.286 -12.171 1.696 1.00 0.00 N ATOM 0 H ASN A 47 12.629 -11.098 -1.803 1.00 0.00 H new ATOM 0 HA ASN A 47 11.095 -9.585 -0.012 1.00 0.00 H new ATOM 0 HB2 ASN A 47 12.055 -11.064 1.683 1.00 0.00 H new ATOM 0 HB3 ASN A 47 11.654 -11.988 0.248 1.00 0.00 H new ATOM 0 HD21 ASN A 47 15.244 -12.521 1.707 1.00 0.00 H new ATOM 0 HD22 ASN A 47 13.736 -12.162 2.555 1.00 0.00 H new ATOM 682 N ASN A 48 12.702 -7.587 0.153 1.00 0.00 N ATOM 683 CA ASN A 48 13.509 -6.462 0.612 1.00 0.00 C ATOM 684 C ASN A 48 12.680 -5.182 0.663 1.00 0.00 C ATOM 685 O ASN A 48 11.871 -4.917 -0.226 1.00 0.00 O ATOM 686 CB ASN A 48 14.715 -6.264 -0.309 1.00 0.00 C ATOM 687 CG ASN A 48 15.415 -4.941 -0.068 1.00 0.00 C ATOM 688 OD1 ASN A 48 16.226 -4.812 0.849 1.00 0.00 O ATOM 689 ND2 ASN A 48 15.104 -3.948 -0.894 1.00 0.00 N ATOM 0 H ASN A 48 11.860 -7.321 -0.358 1.00 0.00 H new ATOM 0 HA ASN A 48 13.861 -6.687 1.619 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.422 -7.079 -0.157 1.00 0.00 H new ATOM 0 HB3 ASN A 48 14.388 -6.315 -1.348 1.00 0.00 H new ATOM 0 HD21 ASN A 48 15.543 -3.034 -0.781 1.00 0.00 H new ATOM 0 HD22 ASN A 48 14.426 -4.099 -1.641 1.00 0.00 H new ATOM 696 N LYS A 49 12.887 -4.391 1.711 1.00 0.00 N ATOM 697 CA LYS A 49 12.161 -3.138 1.879 1.00 0.00 C ATOM 698 C LYS A 49 13.121 -1.953 1.906 1.00 0.00 C ATOM 699 O LYS A 49 14.300 -2.103 2.227 1.00 0.00 O ATOM 700 CB LYS A 49 11.338 -3.171 3.169 1.00 0.00 C ATOM 701 CG LYS A 49 12.184 -3.261 4.428 1.00 0.00 C ATOM 702 CD LYS A 49 11.321 -3.317 5.677 1.00 0.00 C ATOM 703 CE LYS A 49 12.013 -4.074 6.800 1.00 0.00 C ATOM 704 NZ LYS A 49 11.110 -4.285 7.965 1.00 0.00 N ATOM 0 H LYS A 49 13.552 -4.596 2.457 1.00 0.00 H new ATOM 0 HA LYS A 49 11.489 -3.019 1.029 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.721 -2.274 3.219 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.659 -4.023 3.136 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.815 -4.148 4.381 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.849 -2.399 4.483 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.091 -2.304 6.007 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.372 -3.799 5.443 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.358 -5.039 6.429 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.896 -3.521 7.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.619 -4.804 8.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.800 -3.364 8.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.279 -4.834 7.665 1.00 0.00 H new ATOM 718 N LEU A 50 12.608 -0.775 1.567 1.00 0.00 N ATOM 719 CA LEU A 50 13.420 0.437 1.554 1.00 0.00 C ATOM 720 C LEU A 50 12.542 1.681 1.655 1.00 0.00 C ATOM 721 O LEU A 50 11.450 1.732 1.088 1.00 0.00 O ATOM 722 CB LEU A 50 14.263 0.496 0.279 1.00 0.00 C ATOM 723 CG LEU A 50 14.915 1.843 -0.033 1.00 0.00 C ATOM 724 CD1 LEU A 50 16.192 1.645 -0.834 1.00 0.00 C ATOM 725 CD2 LEU A 50 13.946 2.744 -0.785 1.00 0.00 C ATOM 0 H LEU A 50 11.634 -0.633 1.298 1.00 0.00 H new ATOM 0 HA LEU A 50 14.083 0.411 2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 50 15.048 -0.257 0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.631 0.217 -0.564 1.00 0.00 H new ATOM 0 HG LEU A 50 15.173 2.327 0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 50 16.642 2.615 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 50 16.892 1.038 -0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 50 15.959 1.140 -1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 50 14.428 3.698 -0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.657 2.266 -1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.059 2.914 -0.175 1.00 0.00 H new ATOM 737 N THR A 51 13.028 2.684 2.379 1.00 0.00 N ATOM 738 CA THR A 51 12.290 3.929 2.554 1.00 0.00 C ATOM 739 C THR A 51 12.599 4.914 1.432 1.00 0.00 C ATOM 740 O THR A 51 13.700 5.460 1.359 1.00 0.00 O ATOM 741 CB THR A 51 12.615 4.590 3.906 1.00 0.00 C ATOM 742 OG1 THR A 51 12.375 3.666 4.974 1.00 0.00 O ATOM 743 CG2 THR A 51 11.774 5.841 4.113 1.00 0.00 C ATOM 0 H THR A 51 13.930 2.659 2.854 1.00 0.00 H new ATOM 0 HA THR A 51 11.231 3.674 2.528 1.00 0.00 H new ATOM 0 HB THR A 51 13.667 4.875 3.902 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.823 4.096 5.661 1.00 0.00 H new ATOM 0 HG21 THR A 51 12.021 6.291 5.075 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.981 6.554 3.315 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.717 5.575 4.098 1.00 0.00 H new ATOM 751 N TYR A 52 11.622 5.136 0.561 1.00 0.00 N ATOM 752 CA TYR A 52 11.790 6.055 -0.559 1.00 0.00 C ATOM 753 C TYR A 52 11.081 7.379 -0.290 1.00 0.00 C ATOM 754 O TYR A 52 9.901 7.403 0.062 1.00 0.00 O ATOM 755 CB TYR A 52 11.253 5.428 -1.846 1.00 0.00 C ATOM 756 CG TYR A 52 11.963 5.902 -3.094 1.00 0.00 C ATOM 757 CD1 TYR A 52 12.071 7.257 -3.382 1.00 0.00 C ATOM 758 CD2 TYR A 52 12.525 4.996 -3.984 1.00 0.00 C ATOM 759 CE1 TYR A 52 12.718 7.695 -4.521 1.00 0.00 C ATOM 760 CE2 TYR A 52 13.175 5.425 -5.125 1.00 0.00 C ATOM 761 CZ TYR A 52 13.269 6.776 -5.389 1.00 0.00 C ATOM 762 OH TYR A 52 13.915 7.207 -6.525 1.00 0.00 O ATOM 0 H TYR A 52 10.705 4.692 0.608 1.00 0.00 H new ATOM 0 HA TYR A 52 12.856 6.252 -0.676 1.00 0.00 H new ATOM 0 HB2 TYR A 52 11.343 4.344 -1.777 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.191 5.655 -1.935 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.642 7.980 -2.704 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.453 3.938 -3.781 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.792 8.752 -4.731 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.607 4.707 -5.806 1.00 0.00 H new ATOM 0 HH TYR A 52 14.246 6.433 -7.027 1.00 0.00 H new ATOM 772 N SER A 53 11.809 8.478 -0.458 1.00 0.00 N ATOM 773 CA SER A 53 11.252 9.806 -0.230 1.00 0.00 C ATOM 774 C SER A 53 10.916 10.488 -1.553 1.00 0.00 C ATOM 775 O SER A 53 11.807 10.918 -2.287 1.00 0.00 O ATOM 776 CB SER A 53 12.236 10.666 0.565 1.00 0.00 C ATOM 777 OG SER A 53 13.459 10.820 -0.134 1.00 0.00 O ATOM 0 H SER A 53 12.786 8.475 -0.751 1.00 0.00 H new ATOM 0 HA SER A 53 10.333 9.694 0.345 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.797 11.645 0.755 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.424 10.207 1.536 1.00 0.00 H new ATOM 0 HG SER A 53 13.279 10.901 -1.094 1.00 0.00 H new ATOM 783 N HIS A 54 9.624 10.584 -1.851 1.00 0.00 N ATOM 784 CA HIS A 54 9.169 11.215 -3.085 1.00 0.00 C ATOM 785 C HIS A 54 8.331 12.454 -2.785 1.00 0.00 C ATOM 786 O HIS A 54 7.349 12.387 -2.047 1.00 0.00 O ATOM 787 CB HIS A 54 8.356 10.224 -3.919 1.00 0.00 C ATOM 788 CG HIS A 54 7.946 10.762 -5.255 1.00 0.00 C ATOM 789 ND1 HIS A 54 7.197 11.909 -5.407 1.00 0.00 N ATOM 790 CD2 HIS A 54 8.187 10.303 -6.506 1.00 0.00 C ATOM 791 CE1 HIS A 54 6.992 12.132 -6.693 1.00 0.00 C ATOM 792 NE2 HIS A 54 7.583 11.171 -7.381 1.00 0.00 N ATOM 0 H HIS A 54 8.874 10.233 -1.255 1.00 0.00 H new ATOM 0 HA HIS A 54 10.047 11.522 -3.653 1.00 0.00 H new ATOM 0 HB2 HIS A 54 8.943 9.318 -4.066 1.00 0.00 H new ATOM 0 HB3 HIS A 54 7.464 9.939 -3.362 1.00 0.00 H new ATOM 0 HD2 HIS A 54 8.750 9.419 -6.767 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.436 12.959 -7.111 1.00 0.00 H new ATOM 0 HE2 HIS A 54 7.589 11.088 -8.398 1.00 0.00 H new ATOM 801 N GLY A 55 8.726 13.584 -3.362 1.00 0.00 N ATOM 802 CA GLY A 55 8.001 14.822 -3.144 1.00 0.00 C ATOM 803 C GLY A 55 7.682 15.057 -1.680 1.00 0.00 C ATOM 804 O GLY A 55 8.487 14.742 -0.805 1.00 0.00 O ATOM 0 H GLY A 55 9.536 13.665 -3.977 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.591 15.657 -3.523 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.073 14.802 -3.716 1.00 0.00 H new ATOM 808 N ASN A 56 6.505 15.613 -1.415 1.00 0.00 N ATOM 809 CA ASN A 56 6.082 15.891 -0.047 1.00 0.00 C ATOM 810 C ASN A 56 5.318 14.708 0.538 1.00 0.00 C ATOM 811 O ASN A 56 4.293 14.883 1.199 1.00 0.00 O ATOM 812 CB ASN A 56 5.210 17.147 -0.006 1.00 0.00 C ATOM 813 CG ASN A 56 6.022 18.421 -0.143 1.00 0.00 C ATOM 814 OD1 ASN A 56 7.131 18.522 0.382 1.00 0.00 O ATOM 815 ND2 ASN A 56 5.472 19.400 -0.851 1.00 0.00 N ATOM 0 H ASN A 56 5.827 15.880 -2.129 1.00 0.00 H new ATOM 0 HA ASN A 56 6.975 16.057 0.556 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.474 17.101 -0.808 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.657 17.171 0.933 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.971 20.280 -0.978 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.550 19.272 -1.268 1.00 0.00 H new ATOM 822 N TYR A 57 5.822 13.504 0.291 1.00 0.00 N ATOM 823 CA TYR A 57 5.186 12.292 0.792 1.00 0.00 C ATOM 824 C TYR A 57 6.210 11.176 0.978 1.00 0.00 C ATOM 825 O TYR A 57 7.218 11.119 0.273 1.00 0.00 O ATOM 826 CB TYR A 57 4.086 11.834 -0.168 1.00 0.00 C ATOM 827 CG TYR A 57 2.832 12.675 -0.096 1.00 0.00 C ATOM 828 CD1 TYR A 57 1.805 12.353 0.783 1.00 0.00 C ATOM 829 CD2 TYR A 57 2.674 13.792 -0.907 1.00 0.00 C ATOM 830 CE1 TYR A 57 0.657 13.118 0.851 1.00 0.00 C ATOM 831 CE2 TYR A 57 1.529 14.564 -0.845 1.00 0.00 C ATOM 832 CZ TYR A 57 0.524 14.223 0.035 1.00 0.00 C ATOM 833 OH TYR A 57 -0.618 14.988 0.101 1.00 0.00 O ATOM 0 H TYR A 57 6.669 13.342 -0.253 1.00 0.00 H new ATOM 0 HA TYR A 57 4.743 12.519 1.761 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.472 11.858 -1.187 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.831 10.797 0.052 1.00 0.00 H new ATOM 0 HD1 TYR A 57 1.906 11.490 1.424 1.00 0.00 H new ATOM 0 HD2 TYR A 57 3.459 14.062 -1.598 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -0.132 12.853 1.539 1.00 0.00 H new ATOM 0 HE2 TYR A 57 1.422 15.429 -1.482 1.00 0.00 H new ATOM 0 HH TYR A 57 -0.553 15.729 -0.537 1.00 0.00 H new ATOM 843 N LEU A 58 5.944 10.292 1.933 1.00 0.00 N ATOM 844 CA LEU A 58 6.841 9.176 2.214 1.00 0.00 C ATOM 845 C LEU A 58 6.326 7.889 1.577 1.00 0.00 C ATOM 846 O LEU A 58 5.154 7.539 1.721 1.00 0.00 O ATOM 847 CB LEU A 58 6.994 8.986 3.724 1.00 0.00 C ATOM 848 CG LEU A 58 7.504 10.198 4.505 1.00 0.00 C ATOM 849 CD1 LEU A 58 7.436 9.936 6.001 1.00 0.00 C ATOM 850 CD2 LEU A 58 8.926 10.542 4.086 1.00 0.00 C ATOM 0 H LEU A 58 5.115 10.326 2.526 1.00 0.00 H new ATOM 0 HA LEU A 58 7.815 9.408 1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.026 8.696 4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.676 8.154 3.898 1.00 0.00 H new ATOM 0 HG LEU A 58 6.863 11.049 4.277 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.803 10.809 6.540 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.403 9.739 6.289 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.053 9.072 6.247 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.273 11.407 4.652 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.579 9.692 4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.946 10.774 3.021 1.00 0.00 H new ATOM 862 N PHE A 59 7.209 7.187 0.875 1.00 0.00 N ATOM 863 CA PHE A 59 6.843 5.938 0.217 1.00 0.00 C ATOM 864 C PHE A 59 7.494 4.747 0.914 1.00 0.00 C ATOM 865 O PHE A 59 8.718 4.608 0.918 1.00 0.00 O ATOM 866 CB PHE A 59 7.258 5.972 -1.255 1.00 0.00 C ATOM 867 CG PHE A 59 6.403 6.874 -2.098 1.00 0.00 C ATOM 868 CD1 PHE A 59 6.237 8.207 -1.761 1.00 0.00 C ATOM 869 CD2 PHE A 59 5.766 6.388 -3.229 1.00 0.00 C ATOM 870 CE1 PHE A 59 5.450 9.039 -2.535 1.00 0.00 C ATOM 871 CE2 PHE A 59 4.978 7.215 -4.007 1.00 0.00 C ATOM 872 CZ PHE A 59 4.820 8.542 -3.660 1.00 0.00 C ATOM 0 H PHE A 59 8.183 7.462 0.747 1.00 0.00 H new ATOM 0 HA PHE A 59 5.761 5.826 0.279 1.00 0.00 H new ATOM 0 HB2 PHE A 59 8.295 6.299 -1.324 1.00 0.00 H new ATOM 0 HB3 PHE A 59 7.215 4.961 -1.660 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.728 8.601 -0.883 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.887 5.351 -3.506 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.328 10.076 -2.261 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.486 6.824 -4.885 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.205 9.190 -4.267 1.00 0.00 H new ATOM 882 N HIS A 60 6.667 3.889 1.503 1.00 0.00 N ATOM 883 CA HIS A 60 7.161 2.708 2.203 1.00 0.00 C ATOM 884 C HIS A 60 6.586 1.434 1.591 1.00 0.00 C ATOM 885 O HIS A 60 5.369 1.269 1.504 1.00 0.00 O ATOM 886 CB HIS A 60 6.802 2.782 3.687 1.00 0.00 C ATOM 887 CG HIS A 60 6.942 4.155 4.270 1.00 0.00 C ATOM 888 ND1 HIS A 60 8.161 4.725 4.567 1.00 0.00 N ATOM 889 CD2 HIS A 60 6.006 5.072 4.609 1.00 0.00 C ATOM 890 CE1 HIS A 60 7.970 5.934 5.065 1.00 0.00 C ATOM 891 NE2 HIS A 60 6.671 6.169 5.101 1.00 0.00 N ATOM 0 H HIS A 60 5.652 3.989 1.510 1.00 0.00 H new ATOM 0 HA HIS A 60 8.246 2.682 2.100 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.775 2.442 3.821 1.00 0.00 H new ATOM 0 HB3 HIS A 60 7.440 2.094 4.241 1.00 0.00 H new ATOM 0 HD2 HIS A 60 4.936 4.962 4.511 1.00 0.00 H new ATOM 0 HE1 HIS A 60 8.744 6.614 5.388 1.00 0.00 H new ATOM 0 HE2 HIS A 60 6.233 7.026 5.439 1.00 0.00 H new ATOM 900 N TYR A 61 7.470 0.537 1.168 1.00 0.00 N ATOM 901 CA TYR A 61 7.051 -0.721 0.561 1.00 0.00 C ATOM 902 C TYR A 61 7.723 -1.907 1.246 1.00 0.00 C ATOM 903 O TYR A 61 8.917 -1.868 1.548 1.00 0.00 O ATOM 904 CB TYR A 61 7.380 -0.726 -0.932 1.00 0.00 C ATOM 905 CG TYR A 61 8.810 -1.116 -1.236 1.00 0.00 C ATOM 906 CD1 TYR A 61 9.170 -2.449 -1.386 1.00 0.00 C ATOM 907 CD2 TYR A 61 9.799 -0.150 -1.372 1.00 0.00 C ATOM 908 CE1 TYR A 61 10.475 -2.809 -1.663 1.00 0.00 C ATOM 909 CE2 TYR A 61 11.106 -0.501 -1.650 1.00 0.00 C ATOM 910 CZ TYR A 61 11.439 -1.832 -1.794 1.00 0.00 C ATOM 911 OH TYR A 61 12.740 -2.187 -2.071 1.00 0.00 O ATOM 0 H TYR A 61 8.481 0.658 1.234 1.00 0.00 H new ATOM 0 HA TYR A 61 5.973 -0.815 0.688 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.708 -1.417 -1.441 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.188 0.266 -1.341 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.417 -3.217 -1.284 1.00 0.00 H new ATOM 0 HD2 TYR A 61 9.542 0.893 -1.259 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.738 -3.850 -1.776 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.863 0.262 -1.754 1.00 0.00 H new ATOM 0 HH TYR A 61 13.293 -1.380 -2.132 1.00 0.00 H new ATOM 921 N ILE A 62 6.949 -2.960 1.487 1.00 0.00 N ATOM 922 CA ILE A 62 7.470 -4.158 2.134 1.00 0.00 C ATOM 923 C ILE A 62 7.164 -5.404 1.310 1.00 0.00 C ATOM 924 O ILE A 62 6.078 -5.976 1.410 1.00 0.00 O ATOM 925 CB ILE A 62 6.884 -4.334 3.547 1.00 0.00 C ATOM 926 CG1 ILE A 62 7.088 -3.060 4.370 1.00 0.00 C ATOM 927 CG2 ILE A 62 7.523 -5.527 4.241 1.00 0.00 C ATOM 928 CD1 ILE A 62 6.094 -2.905 5.500 1.00 0.00 C ATOM 0 H ILE A 62 5.959 -3.008 1.244 1.00 0.00 H new ATOM 0 HA ILE A 62 8.550 -4.032 2.211 1.00 0.00 H new ATOM 0 HB ILE A 62 5.814 -4.520 3.459 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.097 -3.061 4.782 1.00 0.00 H new ATOM 0 HG13 ILE A 62 7.014 -2.195 3.711 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.098 -5.638 5.239 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.331 -6.430 3.662 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.599 -5.369 4.320 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.298 -1.981 6.040 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.083 -2.872 5.093 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.183 -3.751 6.182 1.00 0.00 H new ATOM 940 N CYS A 63 8.130 -5.821 0.498 1.00 0.00 N ATOM 941 CA CYS A 63 7.965 -7.001 -0.343 1.00 0.00 C ATOM 942 C CYS A 63 8.342 -8.268 0.418 1.00 0.00 C ATOM 943 O CYS A 63 9.413 -8.346 1.019 1.00 0.00 O ATOM 944 CB CYS A 63 8.819 -6.877 -1.605 1.00 0.00 C ATOM 945 SG CYS A 63 8.532 -8.183 -2.822 1.00 0.00 S ATOM 0 H CYS A 63 9.035 -5.360 0.405 1.00 0.00 H new ATOM 0 HA CYS A 63 6.915 -7.069 -0.629 1.00 0.00 H new ATOM 0 HB2 CYS A 63 8.622 -5.911 -2.071 1.00 0.00 H new ATOM 0 HB3 CYS A 63 9.871 -6.885 -1.321 1.00 0.00 H new ATOM 0 HG CYS A 63 8.123 -7.655 -3.937 1.00 0.00 H new ATOM 951 N GLN A 64 7.453 -9.256 0.388 1.00 0.00 N ATOM 952 CA GLN A 64 7.693 -10.519 1.078 1.00 0.00 C ATOM 953 C GLN A 64 7.398 -11.703 0.163 1.00 0.00 C ATOM 954 O GLN A 64 8.313 -12.342 -0.357 1.00 0.00 O ATOM 955 CB GLN A 64 6.832 -10.606 2.339 1.00 0.00 C ATOM 956 CG GLN A 64 6.993 -11.915 3.096 1.00 0.00 C ATOM 957 CD GLN A 64 8.367 -12.063 3.719 1.00 0.00 C ATOM 958 OE1 GLN A 64 8.943 -11.095 4.217 1.00 0.00 O ATOM 959 NE2 GLN A 64 8.900 -13.279 3.696 1.00 0.00 N ATOM 0 H GLN A 64 6.562 -9.207 -0.106 1.00 0.00 H new ATOM 0 HA GLN A 64 8.745 -10.556 1.362 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.088 -9.779 3.001 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.785 -10.482 2.063 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.236 -11.974 3.878 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.815 -12.748 2.416 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.387 -14.053 3.273 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.822 -13.439 4.101 1.00 0.00 H new ATOM 968 N ASP A 65 6.115 -11.990 -0.029 1.00 0.00 N ATOM 969 CA ASP A 65 5.699 -13.098 -0.881 1.00 0.00 C ATOM 970 C ASP A 65 5.459 -12.622 -2.311 1.00 0.00 C ATOM 971 O ASP A 65 4.393 -12.853 -2.882 1.00 0.00 O ATOM 972 CB ASP A 65 4.430 -13.748 -0.327 1.00 0.00 C ATOM 973 CG ASP A 65 4.267 -15.183 -0.786 1.00 0.00 C ATOM 974 OD1 ASP A 65 4.431 -15.442 -1.997 1.00 0.00 O ATOM 975 OD2 ASP A 65 3.977 -16.049 0.066 1.00 0.00 O ATOM 0 H ASP A 65 5.345 -11.471 0.394 1.00 0.00 H new ATOM 0 HA ASP A 65 6.500 -13.837 -0.892 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.456 -13.719 0.762 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.562 -13.168 -0.641 1.00 0.00 H new ATOM 980 N ARG A 66 6.457 -11.957 -2.883 1.00 0.00 N ATOM 981 CA ARG A 66 6.354 -11.447 -4.245 1.00 0.00 C ATOM 982 C ARG A 66 5.223 -10.429 -4.360 1.00 0.00 C ATOM 983 O ARG A 66 4.668 -10.223 -5.440 1.00 0.00 O ATOM 984 CB ARG A 66 6.121 -12.597 -5.227 1.00 0.00 C ATOM 985 CG ARG A 66 7.394 -13.327 -5.622 1.00 0.00 C ATOM 986 CD ARG A 66 8.244 -12.493 -6.568 1.00 0.00 C ATOM 987 NE ARG A 66 9.306 -13.280 -7.188 1.00 0.00 N ATOM 988 CZ ARG A 66 10.367 -13.731 -6.528 1.00 0.00 C ATOM 989 NH1 ARG A 66 10.506 -13.474 -5.235 1.00 0.00 N ATOM 990 NH2 ARG A 66 11.292 -14.441 -7.162 1.00 0.00 N ATOM 0 H ARG A 66 7.346 -11.759 -2.425 1.00 0.00 H new ATOM 0 HA ARG A 66 7.293 -10.951 -4.493 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.427 -13.309 -4.781 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.643 -12.206 -6.125 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.970 -13.566 -4.728 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.139 -14.273 -6.099 1.00 0.00 H new ATOM 0 HD2 ARG A 66 7.609 -12.066 -7.344 1.00 0.00 H new ATOM 0 HD3 ARG A 66 8.683 -11.659 -6.021 1.00 0.00 H new ATOM 0 HE ARG A 66 9.229 -13.495 -8.182 1.00 0.00 H new ATOM 0 HH11 ARG A 66 9.797 -12.929 -4.744 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.322 -13.822 -4.731 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.189 -14.641 -8.157 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.106 -14.787 -6.654 1.00 0.00 H new ATOM 1004 N ILE A 67 4.887 -9.797 -3.241 1.00 0.00 N ATOM 1005 CA ILE A 67 3.823 -8.801 -3.216 1.00 0.00 C ATOM 1006 C ILE A 67 4.282 -7.524 -2.522 1.00 0.00 C ATOM 1007 O ILE A 67 4.421 -7.485 -1.299 1.00 0.00 O ATOM 1008 CB ILE A 67 2.566 -9.336 -2.505 1.00 0.00 C ATOM 1009 CG1 ILE A 67 2.076 -10.617 -3.183 1.00 0.00 C ATOM 1010 CG2 ILE A 67 1.471 -8.281 -2.498 1.00 0.00 C ATOM 1011 CD1 ILE A 67 1.520 -10.391 -4.571 1.00 0.00 C ATOM 0 H ILE A 67 5.336 -9.957 -2.339 1.00 0.00 H new ATOM 0 HA ILE A 67 3.575 -8.579 -4.254 1.00 0.00 H new ATOM 0 HB ILE A 67 2.823 -9.570 -1.472 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.902 -11.326 -3.242 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.306 -11.075 -2.562 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.590 -8.675 -1.992 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.824 -7.393 -1.973 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.213 -8.018 -3.524 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.192 -11.342 -4.991 1.00 0.00 H new ATOM 0 HD12 ILE A 67 0.673 -9.707 -4.517 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.294 -9.961 -5.207 1.00 0.00 H new ATOM 1023 N VAL A 68 4.514 -6.478 -3.310 1.00 0.00 N ATOM 1024 CA VAL A 68 4.954 -5.197 -2.771 1.00 0.00 C ATOM 1025 C VAL A 68 3.768 -4.363 -2.299 1.00 0.00 C ATOM 1026 O VAL A 68 2.809 -4.152 -3.042 1.00 0.00 O ATOM 1027 CB VAL A 68 5.751 -4.393 -3.815 1.00 0.00 C ATOM 1028 CG1 VAL A 68 6.256 -3.090 -3.213 1.00 0.00 C ATOM 1029 CG2 VAL A 68 6.905 -5.222 -4.357 1.00 0.00 C ATOM 0 H VAL A 68 4.404 -6.493 -4.324 1.00 0.00 H new ATOM 0 HA VAL A 68 5.601 -5.416 -1.922 1.00 0.00 H new ATOM 0 HB VAL A 68 5.088 -4.149 -4.645 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.817 -2.535 -3.965 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.409 -2.492 -2.877 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.905 -3.308 -2.365 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.458 -4.639 -5.094 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.571 -5.498 -3.539 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.515 -6.125 -4.828 1.00 0.00 H new ATOM 1039 N TYR A 69 3.841 -3.889 -1.060 1.00 0.00 N ATOM 1040 CA TYR A 69 2.772 -3.079 -0.488 1.00 0.00 C ATOM 1041 C TYR A 69 3.225 -1.634 -0.301 1.00 0.00 C ATOM 1042 O TYR A 69 3.854 -1.293 0.702 1.00 0.00 O ATOM 1043 CB TYR A 69 2.323 -3.662 0.853 1.00 0.00 C ATOM 1044 CG TYR A 69 1.859 -5.098 0.763 1.00 0.00 C ATOM 1045 CD1 TYR A 69 2.762 -6.128 0.530 1.00 0.00 C ATOM 1046 CD2 TYR A 69 0.516 -5.426 0.910 1.00 0.00 C ATOM 1047 CE1 TYR A 69 2.343 -7.441 0.447 1.00 0.00 C ATOM 1048 CE2 TYR A 69 0.088 -6.737 0.829 1.00 0.00 C ATOM 1049 CZ TYR A 69 1.005 -7.741 0.598 1.00 0.00 C ATOM 1050 OH TYR A 69 0.582 -9.048 0.515 1.00 0.00 O ATOM 0 H TYR A 69 4.629 -4.052 -0.433 1.00 0.00 H new ATOM 0 HA TYR A 69 1.931 -3.091 -1.181 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.149 -3.599 1.562 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.513 -3.051 1.252 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.810 -5.897 0.412 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.205 -4.642 1.091 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.059 -8.229 0.265 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.959 -6.974 0.946 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.211 -9.172 1.078 1.00 0.00 H new ATOM 1060 N LEU A 70 2.901 -0.789 -1.272 1.00 0.00 N ATOM 1061 CA LEU A 70 3.273 0.621 -1.216 1.00 0.00 C ATOM 1062 C LEU A 70 2.133 1.463 -0.651 1.00 0.00 C ATOM 1063 O LEU A 70 0.959 1.180 -0.895 1.00 0.00 O ATOM 1064 CB LEU A 70 3.652 1.125 -2.610 1.00 0.00 C ATOM 1065 CG LEU A 70 4.370 2.474 -2.664 1.00 0.00 C ATOM 1066 CD1 LEU A 70 5.312 2.530 -3.856 1.00 0.00 C ATOM 1067 CD2 LEU A 70 3.362 3.612 -2.723 1.00 0.00 C ATOM 0 H LEU A 70 2.381 -1.055 -2.108 1.00 0.00 H new ATOM 0 HA LEU A 70 4.134 0.718 -0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.289 0.378 -3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.744 1.195 -3.208 1.00 0.00 H new ATOM 0 HG LEU A 70 4.961 2.586 -1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.814 3.497 -3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.055 1.737 -3.770 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.743 2.396 -4.776 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.890 4.565 -2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.744 3.504 -3.614 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.729 3.583 -1.836 1.00 0.00 H new ATOM 1079 N CYS A 71 2.487 2.498 0.102 1.00 0.00 N ATOM 1080 CA CYS A 71 1.493 3.382 0.701 1.00 0.00 C ATOM 1081 C CYS A 71 2.076 4.771 0.942 1.00 0.00 C ATOM 1082 O CYS A 71 3.229 4.908 1.354 1.00 0.00 O ATOM 1083 CB CYS A 71 0.984 2.794 2.018 1.00 0.00 C ATOM 1084 SG CYS A 71 2.154 2.930 3.389 1.00 0.00 S ATOM 0 H CYS A 71 3.454 2.746 0.312 1.00 0.00 H new ATOM 0 HA CYS A 71 0.658 3.473 0.006 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.057 3.297 2.294 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.742 1.742 1.864 1.00 0.00 H new ATOM 0 HG CYS A 71 3.070 3.804 3.093 1.00 0.00 H new ATOM 1090 N ILE A 72 1.274 5.797 0.681 1.00 0.00 N ATOM 1091 CA ILE A 72 1.712 7.175 0.869 1.00 0.00 C ATOM 1092 C ILE A 72 1.168 7.751 2.173 1.00 0.00 C ATOM 1093 O ILE A 72 -0.040 7.749 2.410 1.00 0.00 O ATOM 1094 CB ILE A 72 1.266 8.072 -0.300 1.00 0.00 C ATOM 1095 CG1 ILE A 72 1.915 7.606 -1.605 1.00 0.00 C ATOM 1096 CG2 ILE A 72 1.616 9.525 -0.017 1.00 0.00 C ATOM 1097 CD1 ILE A 72 1.110 6.557 -2.340 1.00 0.00 C ATOM 0 H ILE A 72 0.318 5.701 0.339 1.00 0.00 H new ATOM 0 HA ILE A 72 2.801 7.158 0.908 1.00 0.00 H new ATOM 0 HB ILE A 72 0.184 7.994 -0.406 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.057 8.467 -2.258 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.905 7.205 -1.386 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.294 10.146 -0.853 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.111 9.850 0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.694 9.621 0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.630 6.274 -3.255 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.990 5.679 -1.705 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.129 6.961 -2.590 1.00 0.00 H new ATOM 1109 N THR A 73 2.069 8.246 3.016 1.00 0.00 N ATOM 1110 CA THR A 73 1.681 8.827 4.295 1.00 0.00 C ATOM 1111 C THR A 73 2.151 10.272 4.408 1.00 0.00 C ATOM 1112 O THR A 73 2.933 10.747 3.584 1.00 0.00 O ATOM 1113 CB THR A 73 2.254 8.019 5.475 1.00 0.00 C ATOM 1114 OG1 THR A 73 3.684 8.091 5.470 1.00 0.00 O ATOM 1115 CG2 THR A 73 1.814 6.565 5.399 1.00 0.00 C ATOM 0 H THR A 73 3.073 8.256 2.836 1.00 0.00 H new ATOM 0 HA THR A 73 0.592 8.798 4.338 1.00 0.00 H new ATOM 0 HB THR A 73 1.873 8.450 6.401 1.00 0.00 H new ATOM 0 HG1 THR A 73 4.046 7.453 6.120 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.231 6.014 6.242 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.726 6.512 5.433 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.170 6.125 4.467 1.00 0.00 H new ATOM 1123 N ASP A 74 1.670 10.967 5.433 1.00 0.00 N ATOM 1124 CA ASP A 74 2.043 12.360 5.654 1.00 0.00 C ATOM 1125 C ASP A 74 3.542 12.488 5.904 1.00 0.00 C ATOM 1126 O ASP A 74 4.138 11.665 6.599 1.00 0.00 O ATOM 1127 CB ASP A 74 1.265 12.936 6.839 1.00 0.00 C ATOM 1128 CG ASP A 74 -0.046 13.570 6.417 1.00 0.00 C ATOM 1129 OD1 ASP A 74 -0.835 12.896 5.722 1.00 0.00 O ATOM 1130 OD2 ASP A 74 -0.283 14.740 6.783 1.00 0.00 O ATOM 0 H ASP A 74 1.021 10.589 6.124 1.00 0.00 H new ATOM 0 HA ASP A 74 1.793 12.925 4.756 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.066 12.143 7.560 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.879 13.681 7.346 1.00 0.00 H new ATOM 1135 N ASP A 75 4.146 13.524 5.333 1.00 0.00 N ATOM 1136 CA ASP A 75 5.576 13.760 5.493 1.00 0.00 C ATOM 1137 C ASP A 75 6.007 13.523 6.937 1.00 0.00 C ATOM 1138 O ASP A 75 7.024 12.878 7.194 1.00 0.00 O ATOM 1139 CB ASP A 75 5.929 15.187 5.070 1.00 0.00 C ATOM 1140 CG ASP A 75 4.854 16.186 5.448 1.00 0.00 C ATOM 1141 OD1 ASP A 75 4.337 16.101 6.582 1.00 0.00 O ATOM 1142 OD2 ASP A 75 4.531 17.054 4.611 1.00 0.00 O ATOM 0 H ASP A 75 3.667 14.214 4.755 1.00 0.00 H new ATOM 0 HA ASP A 75 6.110 13.057 4.853 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.871 15.478 5.535 1.00 0.00 H new ATOM 0 HB3 ASP A 75 6.084 15.215 3.991 1.00 0.00 H new ATOM 1147 N ASP A 76 5.228 14.050 7.876 1.00 0.00 N ATOM 1148 CA ASP A 76 5.529 13.896 9.294 1.00 0.00 C ATOM 1149 C ASP A 76 4.653 12.816 9.921 1.00 0.00 C ATOM 1150 O ASP A 76 4.008 13.042 10.945 1.00 0.00 O ATOM 1151 CB ASP A 76 5.328 15.223 10.027 1.00 0.00 C ATOM 1152 CG ASP A 76 3.876 15.660 10.045 1.00 0.00 C ATOM 1153 OD1 ASP A 76 3.160 15.379 9.061 1.00 0.00 O ATOM 1154 OD2 ASP A 76 3.456 16.283 11.043 1.00 0.00 O ATOM 0 H ASP A 76 4.384 14.587 7.680 1.00 0.00 H new ATOM 0 HA ASP A 76 6.572 13.593 9.388 1.00 0.00 H new ATOM 0 HB2 ASP A 76 5.688 15.127 11.051 1.00 0.00 H new ATOM 0 HB3 ASP A 76 5.931 15.994 9.548 1.00 0.00 H new ATOM 1159 N PHE A 77 4.634 11.641 9.300 1.00 0.00 N ATOM 1160 CA PHE A 77 3.836 10.527 9.796 1.00 0.00 C ATOM 1161 C PHE A 77 4.729 9.425 10.357 1.00 0.00 C ATOM 1162 O PHE A 77 5.759 9.089 9.773 1.00 0.00 O ATOM 1163 CB PHE A 77 2.955 9.965 8.677 1.00 0.00 C ATOM 1164 CG PHE A 77 2.274 8.676 9.041 1.00 0.00 C ATOM 1165 CD1 PHE A 77 1.065 8.684 9.717 1.00 0.00 C ATOM 1166 CD2 PHE A 77 2.843 7.458 8.707 1.00 0.00 C ATOM 1167 CE1 PHE A 77 0.435 7.500 10.053 1.00 0.00 C ATOM 1168 CE2 PHE A 77 2.217 6.271 9.039 1.00 0.00 C ATOM 1169 CZ PHE A 77 1.012 6.292 9.714 1.00 0.00 C ATOM 0 H PHE A 77 5.163 11.436 8.452 1.00 0.00 H new ATOM 0 HA PHE A 77 3.199 10.898 10.599 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.199 10.705 8.414 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.567 9.806 7.789 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.609 9.626 9.985 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.786 7.435 8.181 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.507 7.520 10.580 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.670 5.328 8.771 1.00 0.00 H new ATOM 0 HZ PHE A 77 0.522 5.366 9.976 1.00 0.00 H new ATOM 1179 N GLU A 78 4.327 8.867 11.495 1.00 0.00 N ATOM 1180 CA GLU A 78 5.092 7.804 12.136 1.00 0.00 C ATOM 1181 C GLU A 78 5.592 6.795 11.106 1.00 0.00 C ATOM 1182 O GLU A 78 4.807 6.044 10.526 1.00 0.00 O ATOM 1183 CB GLU A 78 4.239 7.095 13.189 1.00 0.00 C ATOM 1184 CG GLU A 78 4.345 7.709 14.575 1.00 0.00 C ATOM 1185 CD GLU A 78 3.083 7.523 15.394 1.00 0.00 C ATOM 1186 OE1 GLU A 78 2.048 8.123 15.034 1.00 0.00 O ATOM 1187 OE2 GLU A 78 3.130 6.778 16.395 1.00 0.00 O ATOM 0 H GLU A 78 3.477 9.133 11.991 1.00 0.00 H new ATOM 0 HA GLU A 78 5.955 8.257 12.623 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.196 7.113 12.872 1.00 0.00 H new ATOM 0 HB3 GLU A 78 4.538 6.048 13.241 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.186 7.260 15.104 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.559 8.774 14.481 1.00 0.00 H new ATOM 1194 N ARG A 79 6.902 6.785 10.883 1.00 0.00 N ATOM 1195 CA ARG A 79 7.506 5.871 9.922 1.00 0.00 C ATOM 1196 C ARG A 79 7.128 4.426 10.234 1.00 0.00 C ATOM 1197 O ARG A 79 6.799 3.651 9.335 1.00 0.00 O ATOM 1198 CB ARG A 79 9.028 6.023 9.927 1.00 0.00 C ATOM 1199 CG ARG A 79 9.530 7.152 9.042 1.00 0.00 C ATOM 1200 CD ARG A 79 11.046 7.268 9.093 1.00 0.00 C ATOM 1201 NE ARG A 79 11.704 6.098 8.519 1.00 0.00 N ATOM 1202 CZ ARG A 79 12.936 6.117 8.023 1.00 0.00 C ATOM 1203 NH1 ARG A 79 13.640 7.240 8.031 1.00 0.00 N ATOM 1204 NH2 ARG A 79 13.466 5.010 7.517 1.00 0.00 N ATOM 0 H ARG A 79 7.565 7.400 11.355 1.00 0.00 H new ATOM 0 HA ARG A 79 7.126 6.123 8.932 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.364 6.197 10.949 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.479 5.087 9.598 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.212 6.979 8.014 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.081 8.093 9.361 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.360 8.161 8.553 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.365 7.392 10.128 1.00 0.00 H new ATOM 0 HE ARG A 79 11.189 5.218 8.498 1.00 0.00 H new ATOM 0 HH11 ARG A 79 13.236 8.092 8.419 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.586 7.252 7.649 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.927 4.144 7.509 1.00 0.00 H new ATOM 0 HH22 ARG A 79 14.412 5.025 7.136 1.00 0.00 H new ATOM 1218 N SER A 80 7.177 4.070 11.514 1.00 0.00 N ATOM 1219 CA SER A 80 6.844 2.717 11.944 1.00 0.00 C ATOM 1220 C SER A 80 5.379 2.402 11.661 1.00 0.00 C ATOM 1221 O SER A 80 5.056 1.363 11.084 1.00 0.00 O ATOM 1222 CB SER A 80 7.134 2.548 13.437 1.00 0.00 C ATOM 1223 OG SER A 80 8.517 2.339 13.668 1.00 0.00 O ATOM 0 H SER A 80 7.444 4.700 12.271 1.00 0.00 H new ATOM 0 HA SER A 80 7.463 2.020 11.379 1.00 0.00 H new ATOM 0 HB2 SER A 80 6.802 3.434 13.978 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.565 1.704 13.828 1.00 0.00 H new ATOM 0 HG SER A 80 8.676 2.236 14.629 1.00 0.00 H new ATOM 1229 N ARG A 81 4.495 3.306 12.071 1.00 0.00 N ATOM 1230 CA ARG A 81 3.064 3.125 11.862 1.00 0.00 C ATOM 1231 C ARG A 81 2.776 2.667 10.436 1.00 0.00 C ATOM 1232 O ARG A 81 1.985 1.750 10.215 1.00 0.00 O ATOM 1233 CB ARG A 81 2.316 4.428 12.152 1.00 0.00 C ATOM 1234 CG ARG A 81 1.936 4.600 13.613 1.00 0.00 C ATOM 1235 CD ARG A 81 0.705 5.479 13.769 1.00 0.00 C ATOM 1236 NE ARG A 81 0.470 5.851 15.162 1.00 0.00 N ATOM 1237 CZ ARG A 81 -0.253 5.122 16.005 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -0.808 3.989 15.599 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -0.421 5.527 17.257 1.00 0.00 N ATOM 0 H ARG A 81 4.745 4.171 12.550 1.00 0.00 H new ATOM 0 HA ARG A 81 2.717 2.354 12.549 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.937 5.270 11.846 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.412 4.461 11.544 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.746 3.623 14.058 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.771 5.041 14.158 1.00 0.00 H new ATOM 0 HD2 ARG A 81 0.825 6.381 13.168 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.168 4.952 13.382 1.00 0.00 H new ATOM 0 HE ARG A 81 0.884 6.718 15.506 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.681 3.675 14.637 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.363 3.431 16.249 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.005 6.398 17.573 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.976 4.967 17.904 1.00 0.00 H new ATOM 1253 N ALA A 82 3.422 3.313 9.470 1.00 0.00 N ATOM 1254 CA ALA A 82 3.236 2.971 8.066 1.00 0.00 C ATOM 1255 C ALA A 82 3.608 1.516 7.801 1.00 0.00 C ATOM 1256 O ALA A 82 2.833 0.765 7.210 1.00 0.00 O ATOM 1257 CB ALA A 82 4.060 3.898 7.184 1.00 0.00 C ATOM 0 H ALA A 82 4.079 4.076 9.635 1.00 0.00 H new ATOM 0 HA ALA A 82 2.181 3.098 7.823 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.912 3.631 6.138 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.744 4.929 7.344 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.115 3.799 7.438 1.00 0.00 H new ATOM 1263 N PHE A 83 4.800 1.126 8.241 1.00 0.00 N ATOM 1264 CA PHE A 83 5.276 -0.239 8.050 1.00 0.00 C ATOM 1265 C PHE A 83 4.358 -1.238 8.749 1.00 0.00 C ATOM 1266 O PHE A 83 4.070 -2.310 8.218 1.00 0.00 O ATOM 1267 CB PHE A 83 6.704 -0.383 8.581 1.00 0.00 C ATOM 1268 CG PHE A 83 7.732 0.307 7.730 1.00 0.00 C ATOM 1269 CD1 PHE A 83 8.067 -0.194 6.483 1.00 0.00 C ATOM 1270 CD2 PHE A 83 8.362 1.457 8.178 1.00 0.00 C ATOM 1271 CE1 PHE A 83 9.013 0.439 5.699 1.00 0.00 C ATOM 1272 CE2 PHE A 83 9.308 2.094 7.399 1.00 0.00 C ATOM 1273 CZ PHE A 83 9.634 1.585 6.157 1.00 0.00 C ATOM 0 H PHE A 83 5.454 1.736 8.732 1.00 0.00 H new ATOM 0 HA PHE A 83 5.270 -0.453 6.981 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.750 0.022 9.592 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.952 -1.442 8.650 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.584 -1.089 6.119 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.110 1.860 9.148 1.00 0.00 H new ATOM 0 HE1 PHE A 83 9.267 0.038 4.729 1.00 0.00 H new ATOM 0 HE2 PHE A 83 9.792 2.989 7.761 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.373 2.082 5.545 1.00 0.00 H new ATOM 1283 N ASN A 84 3.903 -0.878 9.945 1.00 0.00 N ATOM 1284 CA ASN A 84 3.019 -1.742 10.718 1.00 0.00 C ATOM 1285 C ASN A 84 1.762 -2.084 9.925 1.00 0.00 C ATOM 1286 O ASN A 84 1.458 -3.255 9.696 1.00 0.00 O ATOM 1287 CB ASN A 84 2.636 -1.066 12.036 1.00 0.00 C ATOM 1288 CG ASN A 84 2.294 -2.068 13.122 1.00 0.00 C ATOM 1289 OD1 ASN A 84 1.422 -2.919 12.944 1.00 0.00 O ATOM 1290 ND2 ASN A 84 2.980 -1.971 14.254 1.00 0.00 N ATOM 0 H ASN A 84 4.132 0.006 10.399 1.00 0.00 H new ATOM 0 HA ASN A 84 3.554 -2.667 10.933 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.461 -0.438 12.372 1.00 0.00 H new ATOM 0 HB3 ASN A 84 1.782 -0.409 11.870 1.00 0.00 H new ATOM 0 HD21 ASN A 84 2.793 -2.618 15.020 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.694 -1.250 14.357 1.00 0.00 H new ATOM 1297 N PHE A 85 1.034 -1.054 9.507 1.00 0.00 N ATOM 1298 CA PHE A 85 -0.191 -1.244 8.739 1.00 0.00 C ATOM 1299 C PHE A 85 0.065 -2.118 7.514 1.00 0.00 C ATOM 1300 O PHE A 85 -0.636 -3.103 7.283 1.00 0.00 O ATOM 1301 CB PHE A 85 -0.762 0.107 8.306 1.00 0.00 C ATOM 1302 CG PHE A 85 -1.677 0.018 7.118 1.00 0.00 C ATOM 1303 CD1 PHE A 85 -2.968 -0.467 7.256 1.00 0.00 C ATOM 1304 CD2 PHE A 85 -1.247 0.420 5.864 1.00 0.00 C ATOM 1305 CE1 PHE A 85 -3.811 -0.550 6.165 1.00 0.00 C ATOM 1306 CE2 PHE A 85 -2.086 0.339 4.769 1.00 0.00 C ATOM 1307 CZ PHE A 85 -3.371 -0.146 4.919 1.00 0.00 C ATOM 0 H PHE A 85 1.271 -0.079 9.687 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.916 -1.748 9.378 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.306 0.547 9.142 1.00 0.00 H new ATOM 0 HB3 PHE A 85 0.061 0.782 8.071 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -3.319 -0.783 8.227 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.244 0.801 5.741 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.814 -0.931 6.286 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -1.738 0.655 3.797 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.029 -0.209 4.065 1.00 0.00 H new ATOM 1317 N LEU A 86 1.074 -1.748 6.733 1.00 0.00 N ATOM 1318 CA LEU A 86 1.424 -2.497 5.531 1.00 0.00 C ATOM 1319 C LEU A 86 1.511 -3.991 5.825 1.00 0.00 C ATOM 1320 O LEU A 86 0.957 -4.811 5.095 1.00 0.00 O ATOM 1321 CB LEU A 86 2.755 -1.998 4.965 1.00 0.00 C ATOM 1322 CG LEU A 86 2.715 -0.651 4.243 1.00 0.00 C ATOM 1323 CD1 LEU A 86 4.084 -0.308 3.677 1.00 0.00 C ATOM 1324 CD2 LEU A 86 1.668 -0.668 3.139 1.00 0.00 C ATOM 0 H LEU A 86 1.664 -0.935 6.910 1.00 0.00 H new ATOM 0 HA LEU A 86 0.639 -2.337 4.792 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.471 -1.928 5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.136 -2.748 4.272 1.00 0.00 H new ATOM 0 HG LEU A 86 2.440 0.118 4.965 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.036 0.654 3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.810 -0.253 4.488 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.389 -1.079 2.970 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.654 0.299 2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.912 -1.448 2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.687 -0.867 3.571 1.00 0.00 H new ATOM 1336 N ASN A 87 2.210 -4.337 6.902 1.00 0.00 N ATOM 1337 CA ASN A 87 2.369 -5.732 7.294 1.00 0.00 C ATOM 1338 C ASN A 87 1.021 -6.354 7.648 1.00 0.00 C ATOM 1339 O ASN A 87 0.703 -7.460 7.211 1.00 0.00 O ATOM 1340 CB ASN A 87 3.323 -5.843 8.485 1.00 0.00 C ATOM 1341 CG ASN A 87 3.876 -7.245 8.654 1.00 0.00 C ATOM 1342 OD1 ASN A 87 3.214 -8.229 8.322 1.00 0.00 O ATOM 1343 ND2 ASN A 87 5.094 -7.342 9.173 1.00 0.00 N ATOM 0 H ASN A 87 2.675 -3.670 7.518 1.00 0.00 H new ATOM 0 HA ASN A 87 2.790 -6.276 6.448 1.00 0.00 H new ATOM 0 HB2 ASN A 87 4.148 -5.143 8.352 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.800 -5.550 9.395 1.00 0.00 H new ATOM 0 HD21 ASN A 87 5.518 -8.259 9.311 1.00 0.00 H new ATOM 0 HD22 ASN A 87 5.606 -6.499 9.434 1.00 0.00 H new ATOM 1350 N GLU A 88 0.234 -5.635 8.443 1.00 0.00 N ATOM 1351 CA GLU A 88 -1.079 -6.117 8.855 1.00 0.00 C ATOM 1352 C GLU A 88 -1.873 -6.627 7.656 1.00 0.00 C ATOM 1353 O GLU A 88 -2.106 -7.828 7.518 1.00 0.00 O ATOM 1354 CB GLU A 88 -1.857 -5.004 9.560 1.00 0.00 C ATOM 1355 CG GLU A 88 -1.248 -4.581 10.886 1.00 0.00 C ATOM 1356 CD GLU A 88 -1.166 -5.723 11.881 1.00 0.00 C ATOM 1357 OE1 GLU A 88 -2.226 -6.277 12.238 1.00 0.00 O ATOM 1358 OE2 GLU A 88 -0.040 -6.062 12.302 1.00 0.00 O ATOM 0 H GLU A 88 0.483 -4.718 8.814 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.932 -6.944 9.549 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.911 -4.137 8.902 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.880 -5.339 9.730 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.248 -4.183 10.712 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -1.842 -3.774 11.313 1.00 0.00 H new ATOM 1365 N ILE A 89 -2.285 -5.706 6.792 1.00 0.00 N ATOM 1366 CA ILE A 89 -3.052 -6.061 5.604 1.00 0.00 C ATOM 1367 C ILE A 89 -2.293 -7.062 4.739 1.00 0.00 C ATOM 1368 O ILE A 89 -2.895 -7.894 4.060 1.00 0.00 O ATOM 1369 CB ILE A 89 -3.387 -4.819 4.758 1.00 0.00 C ATOM 1370 CG1 ILE A 89 -2.134 -3.969 4.541 1.00 0.00 C ATOM 1371 CG2 ILE A 89 -4.479 -4.000 5.429 1.00 0.00 C ATOM 1372 CD1 ILE A 89 -2.362 -2.773 3.644 1.00 0.00 C ATOM 0 H ILE A 89 -2.101 -4.708 6.892 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.980 -6.515 5.951 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.752 -5.148 3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.768 -3.623 5.508 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.352 -4.593 4.109 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.705 -3.125 4.819 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.377 -4.609 5.536 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.139 -3.678 6.413 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.431 -2.217 3.535 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.699 -3.112 2.664 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.121 -2.127 4.085 1.00 0.00 H new ATOM 1384 N LYS A 90 -0.968 -6.978 4.771 1.00 0.00 N ATOM 1385 CA LYS A 90 -0.125 -7.878 3.993 1.00 0.00 C ATOM 1386 C LYS A 90 -0.326 -9.325 4.430 1.00 0.00 C ATOM 1387 O LYS A 90 -0.508 -10.216 3.599 1.00 0.00 O ATOM 1388 CB LYS A 90 1.348 -7.488 4.143 1.00 0.00 C ATOM 1389 CG LYS A 90 2.310 -8.635 3.887 1.00 0.00 C ATOM 1390 CD LYS A 90 3.724 -8.284 4.318 1.00 0.00 C ATOM 1391 CE LYS A 90 4.280 -7.121 3.511 1.00 0.00 C ATOM 1392 NZ LYS A 90 3.985 -5.810 4.152 1.00 0.00 N ATOM 0 H LYS A 90 -0.454 -6.295 5.328 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.413 -7.790 2.945 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.572 -6.676 3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.513 -7.104 5.150 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.974 -9.520 4.426 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.304 -8.886 2.826 1.00 0.00 H new ATOM 0 HD2 LYS A 90 3.730 -8.029 5.378 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.369 -9.154 4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.358 -7.237 3.402 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.854 -7.139 2.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 3.948 -5.068 3.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.069 -5.861 4.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.732 -5.584 4.839 1.00 0.00 H new ATOM 1406 N LYS A 91 -0.292 -9.554 5.738 1.00 0.00 N ATOM 1407 CA LYS A 91 -0.473 -10.892 6.287 1.00 0.00 C ATOM 1408 C LYS A 91 -1.880 -11.410 6.006 1.00 0.00 C ATOM 1409 O LYS A 91 -2.073 -12.594 5.730 1.00 0.00 O ATOM 1410 CB LYS A 91 -0.211 -10.888 7.794 1.00 0.00 C ATOM 1411 CG LYS A 91 1.238 -10.615 8.159 1.00 0.00 C ATOM 1412 CD LYS A 91 1.561 -11.102 9.562 1.00 0.00 C ATOM 1413 CE LYS A 91 1.996 -12.559 9.560 1.00 0.00 C ATOM 1414 NZ LYS A 91 0.831 -13.486 9.518 1.00 0.00 N ATOM 0 H LYS A 91 -0.140 -8.829 6.439 1.00 0.00 H new ATOM 0 HA LYS A 91 0.243 -11.556 5.802 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.843 -10.133 8.262 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.506 -11.852 8.208 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.894 -11.108 7.442 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.436 -9.545 8.089 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.352 -10.486 9.989 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.685 -10.984 10.200 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.639 -12.745 8.700 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.590 -12.762 10.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.068 -14.365 10.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.012 -13.036 9.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.598 -13.706 8.529 1.00 0.00 H new ATOM 1428 N ARG A 92 -2.860 -10.514 6.077 1.00 0.00 N ATOM 1429 CA ARG A 92 -4.249 -10.881 5.830 1.00 0.00 C ATOM 1430 C ARG A 92 -4.455 -11.284 4.373 1.00 0.00 C ATOM 1431 O ARG A 92 -5.119 -12.279 4.081 1.00 0.00 O ATOM 1432 CB ARG A 92 -5.177 -9.716 6.183 1.00 0.00 C ATOM 1433 CG ARG A 92 -5.657 -9.736 7.625 1.00 0.00 C ATOM 1434 CD ARG A 92 -6.822 -8.782 7.838 1.00 0.00 C ATOM 1435 NE ARG A 92 -7.354 -8.862 9.195 1.00 0.00 N ATOM 1436 CZ ARG A 92 -8.058 -9.892 9.649 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -8.314 -10.925 8.858 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -8.509 -9.892 10.897 1.00 0.00 N ATOM 0 H ARG A 92 -2.717 -9.530 6.303 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.490 -11.735 6.463 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.656 -8.777 5.995 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -6.042 -9.738 5.520 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.960 -10.748 7.895 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.835 -9.462 8.287 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.496 -7.762 7.636 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.613 -9.011 7.124 1.00 0.00 H new ATOM 0 HE ARG A 92 -7.175 -8.084 9.829 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.970 -10.930 7.898 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -8.855 -11.715 9.210 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.315 -9.100 11.509 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -9.050 -10.684 11.244 1.00 0.00 H new ATOM 1452 N PHE A 93 -3.881 -10.505 3.462 1.00 0.00 N ATOM 1453 CA PHE A 93 -4.002 -10.780 2.035 1.00 0.00 C ATOM 1454 C PHE A 93 -3.297 -12.084 1.671 1.00 0.00 C ATOM 1455 O PHE A 93 -3.875 -12.951 1.015 1.00 0.00 O ATOM 1456 CB PHE A 93 -3.416 -9.626 1.220 1.00 0.00 C ATOM 1457 CG PHE A 93 -3.493 -9.840 -0.264 1.00 0.00 C ATOM 1458 CD1 PHE A 93 -4.718 -9.872 -0.910 1.00 0.00 C ATOM 1459 CD2 PHE A 93 -2.340 -10.009 -1.014 1.00 0.00 C ATOM 1460 CE1 PHE A 93 -4.793 -10.069 -2.276 1.00 0.00 C ATOM 1461 CE2 PHE A 93 -2.409 -10.206 -2.381 1.00 0.00 C ATOM 1462 CZ PHE A 93 -3.637 -10.237 -3.012 1.00 0.00 C ATOM 0 H PHE A 93 -3.327 -9.678 3.687 1.00 0.00 H new ATOM 0 HA PHE A 93 -5.061 -10.881 1.798 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.944 -8.707 1.474 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -2.374 -9.483 1.505 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -5.626 -9.741 -0.339 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.377 -9.987 -0.526 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -5.755 -10.091 -2.767 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -1.503 -10.336 -2.955 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.693 -10.392 -4.079 1.00 0.00 H new ATOM 1472 N GLN A 94 -2.046 -12.213 2.100 1.00 0.00 N ATOM 1473 CA GLN A 94 -1.262 -13.410 1.818 1.00 0.00 C ATOM 1474 C GLN A 94 -1.912 -14.644 2.434 1.00 0.00 C ATOM 1475 O GLN A 94 -1.775 -15.755 1.920 1.00 0.00 O ATOM 1476 CB GLN A 94 0.163 -13.249 2.352 1.00 0.00 C ATOM 1477 CG GLN A 94 0.298 -13.572 3.831 1.00 0.00 C ATOM 1478 CD GLN A 94 1.736 -13.527 4.309 1.00 0.00 C ATOM 1479 OE1 GLN A 94 2.404 -14.557 4.402 1.00 0.00 O ATOM 1480 NE2 GLN A 94 2.221 -12.329 4.615 1.00 0.00 N ATOM 0 H GLN A 94 -1.554 -11.504 2.644 1.00 0.00 H new ATOM 0 HA GLN A 94 -1.225 -13.543 0.737 1.00 0.00 H new ATOM 0 HB2 GLN A 94 0.830 -13.898 1.785 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.493 -12.224 2.181 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.295 -12.864 4.409 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.113 -14.563 4.022 1.00 0.00 H new ATOM 0 HE21 GLN A 94 1.632 -11.502 4.523 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.183 -12.236 4.942 1.00 0.00 H new ATOM 1489 N THR A 95 -2.621 -14.444 3.541 1.00 0.00 N ATOM 1490 CA THR A 95 -3.292 -15.540 4.228 1.00 0.00 C ATOM 1491 C THR A 95 -4.629 -15.865 3.572 1.00 0.00 C ATOM 1492 O THR A 95 -5.159 -16.966 3.729 1.00 0.00 O ATOM 1493 CB THR A 95 -3.529 -15.211 5.714 1.00 0.00 C ATOM 1494 OG1 THR A 95 -2.279 -14.957 6.365 1.00 0.00 O ATOM 1495 CG2 THR A 95 -4.249 -16.354 6.414 1.00 0.00 C ATOM 0 H THR A 95 -2.745 -13.532 3.981 1.00 0.00 H new ATOM 0 HA THR A 95 -2.635 -16.407 4.156 1.00 0.00 H new ATOM 0 HB THR A 95 -4.155 -14.320 5.771 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.239 -14.018 6.641 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.405 -16.098 7.462 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.213 -16.525 5.935 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.646 -17.259 6.347 1.00 0.00 H new ATOM 1503 N THR A 96 -5.171 -14.901 2.834 1.00 0.00 N ATOM 1504 CA THR A 96 -6.446 -15.085 2.154 1.00 0.00 C ATOM 1505 C THR A 96 -6.241 -15.391 0.675 1.00 0.00 C ATOM 1506 O THR A 96 -6.536 -16.493 0.212 1.00 0.00 O ATOM 1507 CB THR A 96 -7.340 -13.838 2.290 1.00 0.00 C ATOM 1508 OG1 THR A 96 -7.290 -13.343 3.632 1.00 0.00 O ATOM 1509 CG2 THR A 96 -8.779 -14.160 1.916 1.00 0.00 C ATOM 0 H THR A 96 -4.746 -13.985 2.692 1.00 0.00 H new ATOM 0 HA THR A 96 -6.940 -15.931 2.632 1.00 0.00 H new ATOM 0 HB THR A 96 -6.966 -13.075 1.608 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.741 -12.532 3.661 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.391 -13.264 2.020 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.817 -14.508 0.884 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.161 -14.939 2.576 1.00 0.00 H new ATOM 1517 N TYR A 97 -5.735 -14.409 -0.063 1.00 0.00 N ATOM 1518 CA TYR A 97 -5.493 -14.573 -1.491 1.00 0.00 C ATOM 1519 C TYR A 97 -4.002 -14.481 -1.805 1.00 0.00 C ATOM 1520 O TYR A 97 -3.606 -13.948 -2.841 1.00 0.00 O ATOM 1521 CB TYR A 97 -6.259 -13.514 -2.285 1.00 0.00 C ATOM 1522 CG TYR A 97 -7.563 -13.101 -1.642 1.00 0.00 C ATOM 1523 CD1 TYR A 97 -8.574 -14.027 -1.418 1.00 0.00 C ATOM 1524 CD2 TYR A 97 -7.784 -11.784 -1.257 1.00 0.00 C ATOM 1525 CE1 TYR A 97 -9.768 -13.654 -0.831 1.00 0.00 C ATOM 1526 CE2 TYR A 97 -8.974 -11.402 -0.668 1.00 0.00 C ATOM 1527 CZ TYR A 97 -9.963 -12.340 -0.458 1.00 0.00 C ATOM 1528 OH TYR A 97 -11.150 -11.965 0.129 1.00 0.00 O ATOM 0 H TYR A 97 -5.485 -13.491 0.304 1.00 0.00 H new ATOM 0 HA TYR A 97 -5.847 -15.562 -1.782 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.627 -12.634 -2.404 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.462 -13.898 -3.285 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.424 -15.057 -1.708 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.012 -11.046 -1.421 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -10.544 -14.387 -0.665 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -9.129 -10.374 -0.374 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.990 -11.215 0.740 1.00 0.00 H new ATOM 1538 N GLY A 98 -3.180 -15.005 -0.901 1.00 0.00 N ATOM 1539 CA GLY A 98 -1.743 -14.973 -1.098 1.00 0.00 C ATOM 1540 C GLY A 98 -1.294 -15.863 -2.241 1.00 0.00 C ATOM 1541 O GLY A 98 -0.807 -15.376 -3.261 1.00 0.00 O ATOM 0 H GLY A 98 -3.484 -15.451 -0.036 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.429 -13.948 -1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.246 -15.288 -0.180 1.00 0.00 H new ATOM 1545 N SER A 99 -1.458 -17.171 -2.069 1.00 0.00 N ATOM 1546 CA SER A 99 -1.061 -18.131 -3.092 1.00 0.00 C ATOM 1547 C SER A 99 -1.769 -17.843 -4.412 1.00 0.00 C ATOM 1548 O SER A 99 -1.173 -17.946 -5.484 1.00 0.00 O ATOM 1549 CB SER A 99 -1.375 -19.556 -2.632 1.00 0.00 C ATOM 1550 OG SER A 99 -0.374 -20.041 -1.753 1.00 0.00 O ATOM 0 H SER A 99 -1.863 -17.590 -1.232 1.00 0.00 H new ATOM 0 HA SER A 99 0.013 -18.035 -3.248 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.343 -19.575 -2.131 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.452 -20.213 -3.499 1.00 0.00 H new ATOM 0 HG SER A 99 -0.599 -20.953 -1.472 1.00 0.00 H new ATOM 1556 N ARG A 100 -3.045 -17.482 -4.325 1.00 0.00 N ATOM 1557 CA ARG A 100 -3.837 -17.179 -5.511 1.00 0.00 C ATOM 1558 C ARG A 100 -3.254 -15.987 -6.264 1.00 0.00 C ATOM 1559 O ARG A 100 -3.362 -15.899 -7.487 1.00 0.00 O ATOM 1560 CB ARG A 100 -5.288 -16.891 -5.123 1.00 0.00 C ATOM 1561 CG ARG A 100 -6.300 -17.370 -6.151 1.00 0.00 C ATOM 1562 CD ARG A 100 -7.591 -16.570 -6.076 1.00 0.00 C ATOM 1563 NE ARG A 100 -7.585 -15.434 -6.994 1.00 0.00 N ATOM 1564 CZ ARG A 100 -7.893 -15.529 -8.283 1.00 0.00 C ATOM 1565 NH1 ARG A 100 -8.229 -16.702 -8.803 1.00 0.00 N ATOM 1566 NH2 ARG A 100 -7.864 -14.450 -9.055 1.00 0.00 N ATOM 0 H ARG A 100 -3.553 -17.392 -3.445 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.810 -18.049 -6.166 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.501 -17.368 -4.166 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -5.410 -15.818 -4.978 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -5.874 -17.283 -7.151 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.515 -18.426 -5.987 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.434 -17.220 -6.309 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.737 -16.212 -5.057 1.00 0.00 H new ATOM 0 HE ARG A 100 -7.330 -14.518 -6.625 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -8.251 -17.534 -8.213 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -8.465 -16.772 -9.793 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -7.605 -13.546 -8.659 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.101 -14.524 -10.044 1.00 0.00 H new ATOM 1580 N ALA A 101 -2.637 -15.071 -5.525 1.00 0.00 N ATOM 1581 CA ALA A 101 -2.036 -13.885 -6.122 1.00 0.00 C ATOM 1582 C ALA A 101 -1.026 -14.264 -7.199 1.00 0.00 C ATOM 1583 O ALA A 101 -0.829 -13.526 -8.164 1.00 0.00 O ATOM 1584 CB ALA A 101 -1.372 -13.033 -5.050 1.00 0.00 C ATOM 0 H ALA A 101 -2.540 -15.128 -4.511 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.829 -13.304 -6.593 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.927 -12.151 -5.510 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.118 -12.724 -4.318 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.595 -13.614 -4.553 1.00 0.00 H new ATOM 1590 N GLN A 102 -0.389 -15.418 -7.027 1.00 0.00 N ATOM 1591 CA GLN A 102 0.602 -15.894 -7.985 1.00 0.00 C ATOM 1592 C GLN A 102 -0.073 -16.479 -9.221 1.00 0.00 C ATOM 1593 O GLN A 102 0.460 -16.404 -10.328 1.00 0.00 O ATOM 1594 CB GLN A 102 1.505 -16.944 -7.337 1.00 0.00 C ATOM 1595 CG GLN A 102 2.239 -16.439 -6.105 1.00 0.00 C ATOM 1596 CD GLN A 102 3.260 -15.367 -6.433 1.00 0.00 C ATOM 1597 OE1 GLN A 102 4.257 -15.628 -7.106 1.00 0.00 O ATOM 1598 NE2 GLN A 102 3.015 -14.151 -5.957 1.00 0.00 N ATOM 0 H GLN A 102 -0.541 -16.040 -6.233 1.00 0.00 H new ATOM 0 HA GLN A 102 1.210 -15.044 -8.294 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.902 -17.809 -7.061 1.00 0.00 H new ATOM 0 HB3 GLN A 102 2.236 -17.285 -8.070 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.516 -16.041 -5.393 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.740 -17.275 -5.617 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.176 -13.980 -5.403 1.00 0.00 H new ATOM 0 HE22 GLN A 102 3.666 -13.389 -6.145 1.00 0.00 H new ATOM 1607 N THR A 103 -1.251 -17.064 -9.025 1.00 0.00 N ATOM 1608 CA THR A 103 -1.998 -17.665 -10.123 1.00 0.00 C ATOM 1609 C THR A 103 -3.302 -16.915 -10.375 1.00 0.00 C ATOM 1610 O THR A 103 -4.335 -17.524 -10.652 1.00 0.00 O ATOM 1611 CB THR A 103 -2.317 -19.145 -9.843 1.00 0.00 C ATOM 1612 OG1 THR A 103 -3.139 -19.257 -8.676 1.00 0.00 O ATOM 1613 CG2 THR A 103 -1.038 -19.946 -9.647 1.00 0.00 C ATOM 0 H THR A 103 -1.708 -17.134 -8.116 1.00 0.00 H new ATOM 0 HA THR A 103 -1.366 -17.599 -11.008 1.00 0.00 H new ATOM 0 HB THR A 103 -2.852 -19.548 -10.703 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.339 -20.201 -8.506 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.288 -20.989 -9.451 1.00 0.00 H new ATOM 0 HG22 THR A 103 -0.427 -19.883 -10.548 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.481 -19.541 -8.802 1.00 0.00 H new ATOM 1621 N ALA A 104 -3.246 -15.591 -10.278 1.00 0.00 N ATOM 1622 CA ALA A 104 -4.422 -14.759 -10.498 1.00 0.00 C ATOM 1623 C ALA A 104 -4.116 -13.621 -11.466 1.00 0.00 C ATOM 1624 O ALA A 104 -3.025 -13.052 -11.468 1.00 0.00 O ATOM 1625 CB ALA A 104 -4.932 -14.205 -9.176 1.00 0.00 C ATOM 0 H ALA A 104 -2.399 -15.072 -10.048 1.00 0.00 H new ATOM 0 HA ALA A 104 -5.198 -15.382 -10.943 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -5.811 -13.585 -9.356 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.198 -15.029 -8.515 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.153 -13.603 -8.709 1.00 0.00 H new ATOM 1631 N PRO A 105 -5.101 -13.282 -12.312 1.00 0.00 N ATOM 1632 CA PRO A 105 -4.960 -12.210 -13.301 1.00 0.00 C ATOM 1633 C PRO A 105 -4.904 -10.829 -12.656 1.00 0.00 C ATOM 1634 O PRO A 105 -5.204 -10.657 -11.475 1.00 0.00 O ATOM 1635 CB PRO A 105 -6.221 -12.349 -14.158 1.00 0.00 C ATOM 1636 CG PRO A 105 -7.216 -13.004 -13.263 1.00 0.00 C ATOM 1637 CD PRO A 105 -6.428 -13.918 -12.366 1.00 0.00 C ATOM 0 HA PRO A 105 -4.032 -12.297 -13.866 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -6.576 -11.377 -14.501 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.031 -12.951 -15.047 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.764 -12.263 -12.681 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.952 -13.563 -13.841 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -6.877 -13.995 -11.376 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -6.373 -14.929 -12.770 1.00 0.00 H new ATOM 1645 N PRO A 106 -4.512 -9.820 -13.448 1.00 0.00 N ATOM 1646 CA PRO A 106 -4.409 -8.436 -12.976 1.00 0.00 C ATOM 1647 C PRO A 106 -5.774 -7.816 -12.697 1.00 0.00 C ATOM 1648 O PRO A 106 -6.708 -7.968 -13.484 1.00 0.00 O ATOM 1649 CB PRO A 106 -3.721 -7.715 -14.137 1.00 0.00 C ATOM 1650 CG PRO A 106 -4.056 -8.528 -15.340 1.00 0.00 C ATOM 1651 CD PRO A 106 -4.139 -9.953 -14.867 1.00 0.00 C ATOM 0 HA PRO A 106 -3.867 -8.366 -12.033 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -4.083 -6.692 -14.238 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -2.643 -7.659 -13.985 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -5.001 -8.206 -15.777 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -3.294 -8.417 -16.111 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -4.883 -10.520 -15.427 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -3.188 -10.472 -14.986 1.00 0.00 H new ATOM 1659 N TYR A 107 -5.882 -7.117 -11.572 1.00 0.00 N ATOM 1660 CA TYR A 107 -7.134 -6.475 -11.189 1.00 0.00 C ATOM 1661 C TYR A 107 -8.228 -7.512 -10.956 1.00 0.00 C ATOM 1662 O TYR A 107 -9.365 -7.340 -11.394 1.00 0.00 O ATOM 1663 CB TYR A 107 -7.575 -5.485 -12.268 1.00 0.00 C ATOM 1664 CG TYR A 107 -7.003 -4.097 -12.087 1.00 0.00 C ATOM 1665 CD1 TYR A 107 -5.750 -3.770 -12.591 1.00 0.00 C ATOM 1666 CD2 TYR A 107 -7.714 -3.114 -11.411 1.00 0.00 C ATOM 1667 CE1 TYR A 107 -5.222 -2.504 -12.427 1.00 0.00 C ATOM 1668 CE2 TYR A 107 -7.195 -1.845 -11.243 1.00 0.00 C ATOM 1669 CZ TYR A 107 -5.949 -1.544 -11.753 1.00 0.00 C ATOM 1670 OH TYR A 107 -5.428 -0.281 -11.587 1.00 0.00 O ATOM 0 H TYR A 107 -5.118 -6.981 -10.910 1.00 0.00 H new ATOM 0 HA TYR A 107 -6.966 -5.935 -10.257 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.276 -5.867 -13.244 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -8.663 -5.423 -12.269 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -5.179 -4.519 -13.120 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -8.690 -3.346 -11.010 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.246 -2.267 -12.824 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -7.762 -1.092 -10.715 1.00 0.00 H new ATOM 0 HH TYR A 107 -6.158 0.372 -11.550 1.00 0.00 H new ATOM 1680 N ALA A 108 -7.876 -8.589 -10.262 1.00 0.00 N ATOM 1681 CA ALA A 108 -8.828 -9.653 -9.967 1.00 0.00 C ATOM 1682 C ALA A 108 -9.440 -9.474 -8.582 1.00 0.00 C ATOM 1683 O ALA A 108 -10.638 -9.228 -8.450 1.00 0.00 O ATOM 1684 CB ALA A 108 -8.151 -11.012 -10.076 1.00 0.00 C ATOM 0 H ALA A 108 -6.938 -8.748 -9.893 1.00 0.00 H new ATOM 0 HA ALA A 108 -9.633 -9.600 -10.700 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -8.873 -11.797 -9.853 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -7.768 -11.148 -11.087 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.326 -11.066 -9.365 1.00 0.00 H new ATOM 1690 N MET A 109 -8.609 -9.601 -7.552 1.00 0.00 N ATOM 1691 CA MET A 109 -9.070 -9.452 -6.177 1.00 0.00 C ATOM 1692 C MET A 109 -8.924 -8.008 -5.707 1.00 0.00 C ATOM 1693 O MET A 109 -8.296 -7.739 -4.684 1.00 0.00 O ATOM 1694 CB MET A 109 -8.286 -10.384 -5.250 1.00 0.00 C ATOM 1695 CG MET A 109 -8.179 -11.809 -5.769 1.00 0.00 C ATOM 1696 SD MET A 109 -6.771 -12.044 -6.870 1.00 0.00 S ATOM 1697 CE MET A 109 -5.613 -12.854 -5.770 1.00 0.00 C ATOM 0 H MET A 109 -7.614 -9.807 -7.644 1.00 0.00 H new ATOM 0 HA MET A 109 -10.126 -9.721 -6.143 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.283 -9.982 -5.108 1.00 0.00 H new ATOM 0 HB3 MET A 109 -8.766 -10.398 -4.271 1.00 0.00 H new ATOM 0 HG2 MET A 109 -8.093 -12.493 -4.925 1.00 0.00 H new ATOM 0 HG3 MET A 109 -9.096 -12.069 -6.298 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.808 -13.301 -6.354 1.00 0.00 H new ATOM 0 HE2 MET A 109 -5.196 -12.122 -5.078 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.129 -13.632 -5.208 1.00 0.00 H new ATOM 1707 N ASN A 110 -9.508 -7.084 -6.462 1.00 0.00 N ATOM 1708 CA ASN A 110 -9.442 -5.667 -6.123 1.00 0.00 C ATOM 1709 C ASN A 110 -10.648 -5.251 -5.286 1.00 0.00 C ATOM 1710 O ASN A 110 -10.501 -4.652 -4.221 1.00 0.00 O ATOM 1711 CB ASN A 110 -9.373 -4.819 -7.395 1.00 0.00 C ATOM 1712 CG ASN A 110 -10.730 -4.647 -8.049 1.00 0.00 C ATOM 1713 OD1 ASN A 110 -11.546 -3.837 -7.608 1.00 0.00 O ATOM 1714 ND2 ASN A 110 -10.978 -5.410 -9.107 1.00 0.00 N ATOM 0 H ASN A 110 -10.032 -7.290 -7.312 1.00 0.00 H new ATOM 0 HA ASN A 110 -8.539 -5.502 -5.535 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -8.962 -3.839 -7.153 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -8.688 -5.286 -8.103 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -11.874 -5.338 -9.589 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -10.272 -6.068 -9.438 1.00 0.00 H new ATOM 1721 N SER A 111 -11.841 -5.573 -5.776 1.00 0.00 N ATOM 1722 CA SER A 111 -13.073 -5.230 -5.075 1.00 0.00 C ATOM 1723 C SER A 111 -13.014 -5.682 -3.620 1.00 0.00 C ATOM 1724 O SER A 111 -13.007 -4.861 -2.704 1.00 0.00 O ATOM 1725 CB SER A 111 -14.276 -5.871 -5.772 1.00 0.00 C ATOM 1726 OG SER A 111 -14.474 -5.316 -7.061 1.00 0.00 O ATOM 0 H SER A 111 -11.981 -6.071 -6.655 1.00 0.00 H new ATOM 0 HA SER A 111 -13.184 -4.146 -5.096 1.00 0.00 H new ATOM 0 HB2 SER A 111 -14.121 -6.947 -5.856 1.00 0.00 H new ATOM 0 HB3 SER A 111 -15.171 -5.724 -5.168 1.00 0.00 H new ATOM 0 HG SER A 111 -13.688 -4.788 -7.314 1.00 0.00 H new ATOM 1732 N GLU A 112 -12.972 -6.995 -3.415 1.00 0.00 N ATOM 1733 CA GLU A 112 -12.915 -7.557 -2.071 1.00 0.00 C ATOM 1734 C GLU A 112 -11.892 -6.816 -1.215 1.00 0.00 C ATOM 1735 O GLU A 112 -12.209 -6.332 -0.128 1.00 0.00 O ATOM 1736 CB GLU A 112 -12.564 -9.045 -2.131 1.00 0.00 C ATOM 1737 CG GLU A 112 -13.143 -9.854 -0.982 1.00 0.00 C ATOM 1738 CD GLU A 112 -14.596 -9.520 -0.707 1.00 0.00 C ATOM 1739 OE1 GLU A 112 -15.306 -9.135 -1.660 1.00 0.00 O ATOM 1740 OE2 GLU A 112 -15.023 -9.642 0.460 1.00 0.00 O ATOM 0 H GLU A 112 -12.976 -7.689 -4.163 1.00 0.00 H new ATOM 0 HA GLU A 112 -13.898 -7.441 -1.614 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.926 -9.457 -3.073 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.479 -9.154 -2.131 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -13.055 -10.916 -1.210 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -12.556 -9.672 -0.082 1.00 0.00 H new ATOM 1747 N PHE A 113 -10.662 -6.733 -1.713 1.00 0.00 N ATOM 1748 CA PHE A 113 -9.591 -6.053 -0.994 1.00 0.00 C ATOM 1749 C PHE A 113 -9.905 -4.569 -0.827 1.00 0.00 C ATOM 1750 O PHE A 113 -9.444 -3.929 0.119 1.00 0.00 O ATOM 1751 CB PHE A 113 -8.262 -6.225 -1.733 1.00 0.00 C ATOM 1752 CG PHE A 113 -7.075 -6.316 -0.818 1.00 0.00 C ATOM 1753 CD1 PHE A 113 -7.010 -7.295 0.160 1.00 0.00 C ATOM 1754 CD2 PHE A 113 -6.023 -5.421 -0.936 1.00 0.00 C ATOM 1755 CE1 PHE A 113 -5.918 -7.382 1.003 1.00 0.00 C ATOM 1756 CE2 PHE A 113 -4.928 -5.503 -0.096 1.00 0.00 C ATOM 1757 CZ PHE A 113 -4.876 -6.484 0.875 1.00 0.00 C ATOM 0 H PHE A 113 -10.383 -7.128 -2.611 1.00 0.00 H new ATOM 0 HA PHE A 113 -9.509 -6.503 -0.004 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.309 -7.126 -2.344 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.123 -5.385 -2.414 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.822 -7.999 0.265 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -6.059 -4.651 -1.693 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.879 -8.151 1.761 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -4.114 -4.801 -0.199 1.00 0.00 H new ATOM 0 HZ PHE A 113 -4.022 -6.549 1.533 1.00 0.00 H new ATOM 1767 N SER A 114 -10.691 -4.029 -1.752 1.00 0.00 N ATOM 1768 CA SER A 114 -11.063 -2.619 -1.711 1.00 0.00 C ATOM 1769 C SER A 114 -11.841 -2.300 -0.438 1.00 0.00 C ATOM 1770 O SER A 114 -11.560 -1.314 0.243 1.00 0.00 O ATOM 1771 CB SER A 114 -11.900 -2.255 -2.939 1.00 0.00 C ATOM 1772 OG SER A 114 -11.877 -0.858 -3.176 1.00 0.00 O ATOM 0 H SER A 114 -11.083 -4.546 -2.539 1.00 0.00 H new ATOM 0 HA SER A 114 -10.148 -2.026 -1.715 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.517 -2.782 -3.813 1.00 0.00 H new ATOM 0 HB3 SER A 114 -12.928 -2.585 -2.793 1.00 0.00 H new ATOM 0 HG SER A 114 -12.418 -0.651 -3.967 1.00 0.00 H new ATOM 1778 N SER A 115 -12.821 -3.141 -0.124 1.00 0.00 N ATOM 1779 CA SER A 115 -13.643 -2.948 1.064 1.00 0.00 C ATOM 1780 C SER A 115 -12.832 -3.197 2.332 1.00 0.00 C ATOM 1781 O SER A 115 -12.849 -2.390 3.262 1.00 0.00 O ATOM 1782 CB SER A 115 -14.855 -3.881 1.029 1.00 0.00 C ATOM 1783 OG SER A 115 -14.456 -5.239 1.098 1.00 0.00 O ATOM 0 H SER A 115 -13.065 -3.963 -0.676 1.00 0.00 H new ATOM 0 HA SER A 115 -13.989 -1.914 1.072 1.00 0.00 H new ATOM 0 HB2 SER A 115 -15.519 -3.651 1.862 1.00 0.00 H new ATOM 0 HB3 SER A 115 -15.422 -3.711 0.114 1.00 0.00 H new ATOM 0 HG SER A 115 -13.690 -5.386 0.504 1.00 0.00 H new ATOM 1789 N VAL A 116 -12.122 -4.320 2.362 1.00 0.00 N ATOM 1790 CA VAL A 116 -11.303 -4.676 3.515 1.00 0.00 C ATOM 1791 C VAL A 116 -10.312 -3.567 3.848 1.00 0.00 C ATOM 1792 O VAL A 116 -10.265 -3.081 4.979 1.00 0.00 O ATOM 1793 CB VAL A 116 -10.529 -5.985 3.270 1.00 0.00 C ATOM 1794 CG1 VAL A 116 -9.624 -6.299 4.452 1.00 0.00 C ATOM 1795 CG2 VAL A 116 -11.492 -7.132 3.005 1.00 0.00 C ATOM 0 H VAL A 116 -12.097 -4.999 1.601 1.00 0.00 H new ATOM 0 HA VAL A 116 -11.983 -4.816 4.356 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.902 -5.857 2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -9.085 -7.227 4.261 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -8.910 -5.487 4.590 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -10.227 -6.408 5.353 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -10.928 -8.049 2.834 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -12.146 -7.264 3.867 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -12.093 -6.906 2.124 1.00 0.00 H new ATOM 1805 N LEU A 117 -9.522 -3.169 2.858 1.00 0.00 N ATOM 1806 CA LEU A 117 -8.530 -2.116 3.045 1.00 0.00 C ATOM 1807 C LEU A 117 -9.177 -0.853 3.605 1.00 0.00 C ATOM 1808 O LEU A 117 -8.723 -0.303 4.608 1.00 0.00 O ATOM 1809 CB LEU A 117 -7.834 -1.801 1.720 1.00 0.00 C ATOM 1810 CG LEU A 117 -6.704 -2.748 1.314 1.00 0.00 C ATOM 1811 CD1 LEU A 117 -6.289 -2.498 -0.127 1.00 0.00 C ATOM 1812 CD2 LEU A 117 -5.513 -2.587 2.249 1.00 0.00 C ATOM 0 H LEU A 117 -9.549 -3.560 1.916 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.789 -2.472 3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.584 -1.802 0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -7.431 -0.790 1.776 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.068 -3.772 1.393 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -5.484 -3.181 -0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.142 -2.663 -0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.943 -1.470 -0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -4.718 -3.268 1.946 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -5.149 -1.561 2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -5.818 -2.817 3.270 1.00 0.00 H new ATOM 1824 N ALA A 118 -10.242 -0.400 2.951 1.00 0.00 N ATOM 1825 CA ALA A 118 -10.954 0.795 3.385 1.00 0.00 C ATOM 1826 C ALA A 118 -11.221 0.760 4.886 1.00 0.00 C ATOM 1827 O ALA A 118 -11.018 1.752 5.586 1.00 0.00 O ATOM 1828 CB ALA A 118 -12.260 0.940 2.618 1.00 0.00 C ATOM 0 H ALA A 118 -10.630 -0.843 2.118 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.324 1.659 3.174 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -12.781 1.837 2.953 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -12.049 1.020 1.552 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -12.887 0.067 2.799 1.00 0.00 H new ATOM 1834 N ALA A 119 -11.678 -0.389 5.374 1.00 0.00 N ATOM 1835 CA ALA A 119 -11.971 -0.553 6.793 1.00 0.00 C ATOM 1836 C ALA A 119 -10.712 -0.385 7.637 1.00 0.00 C ATOM 1837 O ALA A 119 -10.743 0.247 8.692 1.00 0.00 O ATOM 1838 CB ALA A 119 -12.602 -1.915 7.047 1.00 0.00 C ATOM 0 H ALA A 119 -11.853 -1.219 4.808 1.00 0.00 H new ATOM 0 HA ALA A 119 -12.678 0.223 7.085 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -12.816 -2.024 8.110 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -13.529 -1.998 6.480 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -11.913 -2.699 6.733 1.00 0.00 H new ATOM 1844 N GLN A 120 -9.608 -0.955 7.165 1.00 0.00 N ATOM 1845 CA GLN A 120 -8.340 -0.869 7.878 1.00 0.00 C ATOM 1846 C GLN A 120 -7.840 0.571 7.928 1.00 0.00 C ATOM 1847 O GLN A 120 -7.302 1.018 8.942 1.00 0.00 O ATOM 1848 CB GLN A 120 -7.293 -1.762 7.210 1.00 0.00 C ATOM 1849 CG GLN A 120 -7.476 -3.241 7.507 1.00 0.00 C ATOM 1850 CD GLN A 120 -7.367 -3.557 8.986 1.00 0.00 C ATOM 1851 OE1 GLN A 120 -6.336 -3.310 9.611 1.00 0.00 O ATOM 1852 NE2 GLN A 120 -8.434 -4.106 9.554 1.00 0.00 N ATOM 0 H GLN A 120 -9.566 -1.481 6.292 1.00 0.00 H new ATOM 0 HA GLN A 120 -8.503 -1.214 8.899 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -7.332 -1.609 6.131 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -6.301 -1.454 7.540 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -8.451 -3.563 7.141 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -6.726 -3.813 6.961 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -9.268 -4.294 8.998 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -8.420 -4.340 10.547 1.00 0.00 H new ATOM 1861 N LEU A 121 -8.021 1.293 6.828 1.00 0.00 N ATOM 1862 CA LEU A 121 -7.588 2.684 6.746 1.00 0.00 C ATOM 1863 C LEU A 121 -8.366 3.555 7.726 1.00 0.00 C ATOM 1864 O LEU A 121 -7.798 4.110 8.667 1.00 0.00 O ATOM 1865 CB LEU A 121 -7.770 3.212 5.321 1.00 0.00 C ATOM 1866 CG LEU A 121 -6.573 3.044 4.385 1.00 0.00 C ATOM 1867 CD1 LEU A 121 -7.039 2.873 2.948 1.00 0.00 C ATOM 1868 CD2 LEU A 121 -5.632 4.234 4.505 1.00 0.00 C ATOM 0 H LEU A 121 -8.464 0.939 5.981 1.00 0.00 H new ATOM 0 HA LEU A 121 -6.531 2.726 7.011 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.628 2.708 4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -8.016 4.272 5.377 1.00 0.00 H new ATOM 0 HG LEU A 121 -6.030 2.146 4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -6.173 2.755 2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -7.672 1.989 2.874 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -7.606 3.752 2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.786 4.098 3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -6.164 5.147 4.239 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -5.271 4.311 5.531 1.00 0.00 H new ATOM 1880 N LYS A 122 -9.671 3.670 7.502 1.00 0.00 N ATOM 1881 CA LYS A 122 -10.529 4.470 8.367 1.00 0.00 C ATOM 1882 C LYS A 122 -10.254 4.168 9.837 1.00 0.00 C ATOM 1883 O LYS A 122 -10.200 5.075 10.668 1.00 0.00 O ATOM 1884 CB LYS A 122 -12.002 4.203 8.048 1.00 0.00 C ATOM 1885 CG LYS A 122 -12.907 5.394 8.311 1.00 0.00 C ATOM 1886 CD LYS A 122 -14.357 4.967 8.473 1.00 0.00 C ATOM 1887 CE LYS A 122 -15.259 6.157 8.761 1.00 0.00 C ATOM 1888 NZ LYS A 122 -15.703 6.833 7.511 1.00 0.00 N ATOM 0 H LYS A 122 -10.158 3.218 6.728 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.308 5.521 8.183 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -12.092 3.914 7.001 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.346 3.357 8.643 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -12.576 5.912 9.211 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -12.825 6.103 7.487 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -14.693 4.465 7.566 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -14.436 4.244 9.285 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -16.131 5.824 9.323 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -14.728 6.871 9.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -16.316 7.638 7.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -14.872 7.174 6.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -16.232 6.159 6.921 1.00 0.00 H new ATOM 1902 N HIS A 123 -10.080 2.888 10.150 1.00 0.00 N ATOM 1903 CA HIS A 123 -9.808 2.467 11.520 1.00 0.00 C ATOM 1904 C HIS A 123 -8.453 2.987 11.990 1.00 0.00 C ATOM 1905 O HIS A 123 -8.362 3.696 12.992 1.00 0.00 O ATOM 1906 CB HIS A 123 -9.846 0.942 11.624 1.00 0.00 C ATOM 1907 CG HIS A 123 -9.762 0.435 13.031 1.00 0.00 C ATOM 1908 ND1 HIS A 123 -10.871 0.216 13.820 1.00 0.00 N ATOM 1909 CD2 HIS A 123 -8.691 0.102 13.790 1.00 0.00 C ATOM 1910 CE1 HIS A 123 -10.487 -0.228 15.003 1.00 0.00 C ATOM 1911 NE2 HIS A 123 -9.169 -0.306 15.011 1.00 0.00 N ATOM 0 H HIS A 123 -10.122 2.125 9.474 1.00 0.00 H new ATOM 0 HA HIS A 123 -10.581 2.887 12.163 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -10.768 0.578 11.170 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -9.020 0.526 11.047 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -7.654 0.149 13.491 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -11.140 -0.484 15.824 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -8.598 -0.619 15.797 1.00 0.00 H new ATOM 1920 N HIS A 124 -7.401 2.628 11.260 1.00 0.00 N ATOM 1921 CA HIS A 124 -6.050 3.059 11.602 1.00 0.00 C ATOM 1922 C HIS A 124 -5.971 4.580 11.689 1.00 0.00 C ATOM 1923 O HIS A 124 -5.694 5.137 12.751 1.00 0.00 O ATOM 1924 CB HIS A 124 -5.050 2.543 10.567 1.00 0.00 C ATOM 1925 CG HIS A 124 -3.712 3.210 10.643 1.00 0.00 C ATOM 1926 ND1 HIS A 124 -3.203 3.993 9.628 1.00 0.00 N ATOM 1927 CD2 HIS A 124 -2.776 3.209 11.621 1.00 0.00 C ATOM 1928 CE1 HIS A 124 -2.011 4.444 9.978 1.00 0.00 C ATOM 1929 NE2 HIS A 124 -1.729 3.983 11.183 1.00 0.00 N ATOM 0 H HIS A 124 -7.458 2.040 10.428 1.00 0.00 H new ATOM 0 HA HIS A 124 -5.798 2.643 12.578 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -4.920 1.469 10.703 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.464 2.690 9.569 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -3.673 4.193 8.745 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -2.840 2.695 12.569 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -1.376 5.081 9.380 1.00 0.00 H new