USER MOD reduce.3.24.130724 H: found=0, std=0, add=1084, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1084 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 130 SER OG : rot 150:sc= 0.144 USER MOD Set 1.2: A 131 LYS NZ :NH3+ -162:sc= 0.0352 (180deg=0) USER MOD Set 2.1: A 5 TYR OH : rot -26:sc= -3.87 USER MOD Set 2.2: A 41 THR OG1 : rot -35:sc= 1.3 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -108:sc= -0.13 (180deg=-0.545) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.117 USER MOD Single : A 15 LYS NZ :NH3+ -105:sc= 0.366 (180deg=-0.261) USER MOD Single : A 20 SER OG : rot 87:sc= -4.54! USER MOD Single : A 23 LYS NZ :NH3+ 154:sc= -0.249 (180deg=-1.06) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0414 K(o=-0.041,f=-1.2!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0416 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 MET CE :methyl -117:sc= -5.47 (180deg=-17.2!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -145:sc= -1.2 USER MOD Single : A 51 THR OG1 : rot 67:sc= -5.95! USER MOD Single : A 57 GLN : amide:sc= 0.0423 K(o=0.042,f=-2.5!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.14 X(o=-0.14,f=-0.02) USER MOD Single : A 64 TYR OH : rot -68:sc= 0.0319 USER MOD Single : A 67 HIS : no HD1:sc= -3.74 K(o=-3.7,f=-7!) USER MOD Single : A 69 TYR OH : rot 162:sc= -3.15! USER MOD Single : A 72 SER OG : rot 180:sc= 0.0267 USER MOD Single : A 76 CYS SG : rot -10:sc= 0.268 USER MOD Single : A 81 THR OG1 : rot 164:sc= -3.28! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 85 TYR OH : rot 23:sc= -2.9! USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0088 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 TYR OH : rot 18:sc= -7.21! USER MOD Single : A 105 HIS :FLIP no HD1:sc= -9.71! C(o=-12!,f=-9.7!) USER MOD Single : A 107 LYS NZ :NH3+ -156:sc= -0.0606 (180deg=-0.312) USER MOD Single : A 114 THR OG1 : rot -38:sc= 1.08 USER MOD Single : A 116 THR OG1 : rot -58:sc= -5.83! USER MOD Single : A 117 ASN : amide:sc= -0.145 K(o=-0.15,f=-0.85) USER MOD Single : A 121 LYS NZ :NH3+ 174:sc=0.000121 (180deg=0) USER MOD Single : A 122 MET CE :methyl -118:sc= -9.84! (180deg=-17.6!) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= -0.501 K(o=-0.5,f=-3.4!) USER MOD Single : A 127 THR OG1 : rot 103:sc= 1.21 USER MOD Single : A 128 TYR OH : rot 30:sc= 0 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 136 SER OG : rot 44:sc= 0.576 USER MOD Single : A 137 GLN : amide:sc= -4.36! C(o=-4.4!,f=-7.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.586 11.943 1.432 1.00 0.00 N ATOM 2 CA MET A 1 -10.672 12.511 2.456 1.00 0.00 C ATOM 3 C MET A 1 -10.304 11.469 3.508 1.00 0.00 C ATOM 4 O MET A 1 -10.281 11.763 4.703 1.00 0.00 O ATOM 5 CB MET A 1 -11.363 13.706 3.115 1.00 0.00 C ATOM 6 CG MET A 1 -11.511 14.907 2.194 1.00 0.00 C ATOM 7 SD MET A 1 -11.724 16.454 3.097 1.00 0.00 S ATOM 8 CE MET A 1 -12.955 17.270 2.085 1.00 0.00 C ATOM 0 H1 MET A 1 -11.071 11.819 0.537 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.942 11.021 1.757 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.386 12.590 1.284 1.00 0.00 H new ATOM 0 HA MET A 1 -9.748 12.829 1.974 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.350 13.399 3.460 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.795 14.003 3.997 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.630 14.982 1.556 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.368 14.753 1.538 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.193 18.243 2.515 1.00 0.00 H new ATOM 0 HE2 MET A 1 -12.565 17.405 1.076 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.857 16.660 2.047 1.00 0.00 H new ATOM 20 N ARG A 2 -10.018 10.252 3.056 1.00 0.00 N ATOM 21 CA ARG A 2 -9.654 9.172 3.965 1.00 0.00 C ATOM 22 C ARG A 2 -9.086 7.975 3.205 1.00 0.00 C ATOM 23 O ARG A 2 -9.675 7.503 2.232 1.00 0.00 O ATOM 24 CB ARG A 2 -10.869 8.741 4.790 1.00 0.00 C ATOM 25 CG ARG A 2 -10.804 9.189 6.241 1.00 0.00 C ATOM 26 CD ARG A 2 -12.185 9.234 6.877 1.00 0.00 C ATOM 27 NE ARG A 2 -12.296 8.316 8.009 1.00 0.00 N ATOM 28 CZ ARG A 2 -13.224 8.417 8.958 1.00 0.00 C ATOM 29 NH1 ARG A 2 -14.124 9.392 8.915 1.00 0.00 N ATOM 30 NH2 ARG A 2 -13.253 7.540 9.951 1.00 0.00 N ATOM 0 H ARG A 2 -10.031 9.990 2.070 1.00 0.00 H new ATOM 0 HA ARG A 2 -8.880 9.546 4.636 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -11.772 9.146 4.333 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.955 7.655 4.756 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -10.166 8.508 6.804 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -10.345 10.176 6.297 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -12.397 10.249 7.211 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -12.937 8.981 6.130 1.00 0.00 H new ATOM 0 HE ARG A 2 -11.623 7.553 8.076 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -14.107 10.069 8.152 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -14.833 9.464 9.645 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -12.565 6.788 9.988 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -13.964 7.617 10.679 1.00 0.00 H new ATOM 44 N ILE A 3 -7.939 7.490 3.666 1.00 0.00 N ATOM 45 CA ILE A 3 -7.277 6.345 3.051 1.00 0.00 C ATOM 46 C ILE A 3 -8.131 5.091 3.197 1.00 0.00 C ATOM 47 O ILE A 3 -8.929 4.981 4.128 1.00 0.00 O ATOM 48 CB ILE A 3 -5.896 6.115 3.692 1.00 0.00 C ATOM 49 CG1 ILE A 3 -5.168 4.942 3.056 1.00 0.00 C ATOM 50 CG2 ILE A 3 -6.041 5.885 5.189 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.672 5.135 3.065 1.00 0.00 C ATOM 0 H ILE A 3 -7.444 7.876 4.470 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.144 6.558 1.990 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.301 7.012 3.519 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.419 4.026 3.591 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.511 4.816 2.029 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -5.057 5.724 5.629 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.505 6.758 5.648 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.665 5.008 5.364 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.191 4.274 2.601 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.418 6.036 2.507 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.324 5.235 4.093 1.00 0.00 H new ATOM 63 N TYR A 4 -7.980 4.156 2.263 1.00 0.00 N ATOM 64 CA TYR A 4 -8.764 2.926 2.287 1.00 0.00 C ATOM 65 C TYR A 4 -7.899 1.698 2.556 1.00 0.00 C ATOM 66 O TYR A 4 -8.226 0.884 3.418 1.00 0.00 O ATOM 67 CB TYR A 4 -9.505 2.745 0.957 1.00 0.00 C ATOM 68 CG TYR A 4 -10.826 3.488 0.864 1.00 0.00 C ATOM 69 CD1 TYR A 4 -11.144 4.514 1.747 1.00 0.00 C ATOM 70 CD2 TYR A 4 -11.753 3.161 -0.118 1.00 0.00 C ATOM 71 CE1 TYR A 4 -12.347 5.191 1.653 1.00 0.00 C ATOM 72 CE2 TYR A 4 -12.955 3.834 -0.220 1.00 0.00 C ATOM 73 CZ TYR A 4 -13.248 4.847 0.667 1.00 0.00 C ATOM 74 OH TYR A 4 -14.445 5.519 0.570 1.00 0.00 O ATOM 0 H TYR A 4 -7.325 4.226 1.484 1.00 0.00 H new ATOM 0 HA TYR A 4 -9.480 3.018 3.103 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -8.857 3.079 0.147 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -9.689 1.682 0.800 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -10.440 4.787 2.519 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -11.530 2.366 -0.814 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -12.579 5.984 2.348 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -13.662 3.567 -0.992 1.00 0.00 H new ATOM 0 HH TYR A 4 -14.965 5.156 -0.177 1.00 0.00 H new ATOM 84 N TYR A 5 -6.813 1.546 1.804 1.00 0.00 N ATOM 85 CA TYR A 5 -5.945 0.383 1.972 1.00 0.00 C ATOM 86 C TYR A 5 -4.477 0.721 1.743 1.00 0.00 C ATOM 87 O TYR A 5 -4.138 1.723 1.114 1.00 0.00 O ATOM 88 CB TYR A 5 -6.384 -0.725 1.009 1.00 0.00 C ATOM 89 CG TYR A 5 -5.484 -1.949 0.981 1.00 0.00 C ATOM 90 CD1 TYR A 5 -4.249 -1.923 0.340 1.00 0.00 C ATOM 91 CD2 TYR A 5 -5.881 -3.138 1.581 1.00 0.00 C ATOM 92 CE1 TYR A 5 -3.439 -3.040 0.300 1.00 0.00 C ATOM 93 CE2 TYR A 5 -5.075 -4.262 1.542 1.00 0.00 C ATOM 94 CZ TYR A 5 -3.857 -4.208 0.900 1.00 0.00 C ATOM 95 OH TYR A 5 -3.057 -5.328 0.856 1.00 0.00 O ATOM 0 H TYR A 5 -6.515 2.202 1.082 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.040 0.043 3.003 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.392 -1.041 1.278 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.438 -0.310 0.003 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.918 -1.011 -0.135 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -6.834 -3.185 2.086 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.482 -2.999 -0.199 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -5.399 -5.178 2.013 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.482 -5.288 0.064 1.00 0.00 H new ATOM 105 N ILE A 6 -3.617 -0.155 2.247 1.00 0.00 N ATOM 106 CA ILE A 6 -2.178 -0.014 2.104 1.00 0.00 C ATOM 107 C ILE A 6 -1.533 -1.388 2.195 1.00 0.00 C ATOM 108 O ILE A 6 -2.168 -2.351 2.625 1.00 0.00 O ATOM 109 CB ILE A 6 -1.592 0.953 3.168 1.00 0.00 C ATOM 110 CG1 ILE A 6 -1.647 2.384 2.631 1.00 0.00 C ATOM 111 CG2 ILE A 6 -0.169 0.589 3.570 1.00 0.00 C ATOM 112 CD1 ILE A 6 -0.977 3.415 3.519 1.00 0.00 C ATOM 0 H ILE A 6 -3.901 -0.985 2.768 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.960 0.423 1.129 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.200 0.867 4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.176 2.408 1.648 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.690 2.666 2.491 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.191 1.298 4.316 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.155 -0.417 3.989 1.00 0.00 H new ATOM 0 HG23 ILE A 6 0.477 0.625 2.693 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.064 4.401 3.062 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.462 3.424 4.495 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.076 3.162 3.639 1.00 0.00 H new ATOM 124 N GLY A 7 -0.283 -1.479 1.784 1.00 0.00 N ATOM 125 CA GLY A 7 0.405 -2.750 1.828 1.00 0.00 C ATOM 126 C GLY A 7 1.584 -2.804 0.887 1.00 0.00 C ATOM 127 O GLY A 7 2.170 -1.774 0.551 1.00 0.00 O ATOM 0 H GLY A 7 0.268 -0.701 1.422 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.748 -2.938 2.845 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.294 -3.547 1.575 1.00 0.00 H new ATOM 131 N VAL A 8 1.941 -4.008 0.469 1.00 0.00 N ATOM 132 CA VAL A 8 3.071 -4.187 -0.425 1.00 0.00 C ATOM 133 C VAL A 8 2.887 -5.407 -1.321 1.00 0.00 C ATOM 134 O VAL A 8 2.244 -6.383 -0.932 1.00 0.00 O ATOM 135 CB VAL A 8 4.382 -4.351 0.362 1.00 0.00 C ATOM 136 CG1 VAL A 8 5.537 -3.727 -0.401 1.00 0.00 C ATOM 137 CG2 VAL A 8 4.277 -3.744 1.753 1.00 0.00 C ATOM 0 H VAL A 8 1.466 -4.871 0.734 1.00 0.00 H new ATOM 0 HA VAL A 8 3.124 -3.291 -1.043 1.00 0.00 H new ATOM 0 HB VAL A 8 4.569 -5.418 0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.458 -3.851 0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.640 -4.217 -1.369 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.343 -2.665 -0.550 1.00 0.00 H new ATOM 0 HG21 VAL A 8 5.221 -3.878 2.281 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.056 -2.680 1.670 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.479 -4.238 2.306 1.00 0.00 H new ATOM 147 N PHE A 9 3.459 -5.350 -2.523 1.00 0.00 N ATOM 148 CA PHE A 9 3.361 -6.458 -3.469 1.00 0.00 C ATOM 149 C PHE A 9 4.478 -6.405 -4.504 1.00 0.00 C ATOM 150 O PHE A 9 4.608 -5.430 -5.243 1.00 0.00 O ATOM 151 CB PHE A 9 2.016 -6.461 -4.208 1.00 0.00 C ATOM 152 CG PHE A 9 0.866 -5.833 -3.470 1.00 0.00 C ATOM 153 CD1 PHE A 9 0.918 -4.515 -3.044 1.00 0.00 C ATOM 154 CD2 PHE A 9 -0.283 -6.563 -3.229 1.00 0.00 C ATOM 155 CE1 PHE A 9 -0.151 -3.947 -2.385 1.00 0.00 C ATOM 156 CE2 PHE A 9 -1.358 -5.996 -2.578 1.00 0.00 C ATOM 157 CZ PHE A 9 -1.290 -4.686 -2.154 1.00 0.00 C ATOM 0 H PHE A 9 3.993 -4.550 -2.863 1.00 0.00 H new ATOM 0 HA PHE A 9 3.449 -7.370 -2.878 1.00 0.00 H new ATOM 0 HB2 PHE A 9 2.143 -5.940 -5.157 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.753 -7.493 -4.443 1.00 0.00 H new ATOM 0 HD1 PHE A 9 1.805 -3.927 -3.230 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.339 -7.591 -3.555 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.095 -2.922 -2.050 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.251 -6.577 -2.401 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.129 -4.240 -1.641 1.00 0.00 H new ATOM 167 N ARG A 10 5.266 -7.473 -4.574 1.00 0.00 N ATOM 168 CA ARG A 10 6.348 -7.552 -5.544 1.00 0.00 C ATOM 169 C ARG A 10 5.781 -7.837 -6.929 1.00 0.00 C ATOM 170 O ARG A 10 4.740 -8.480 -7.059 1.00 0.00 O ATOM 171 CB ARG A 10 7.343 -8.646 -5.152 1.00 0.00 C ATOM 172 CG ARG A 10 8.441 -8.864 -6.180 1.00 0.00 C ATOM 173 CD ARG A 10 8.114 -10.022 -7.109 1.00 0.00 C ATOM 174 NE ARG A 10 8.990 -10.045 -8.279 1.00 0.00 N ATOM 175 CZ ARG A 10 9.194 -11.122 -9.034 1.00 0.00 C ATOM 176 NH1 ARG A 10 8.588 -12.268 -8.747 1.00 0.00 N ATOM 177 NH2 ARG A 10 10.006 -11.052 -10.079 1.00 0.00 N ATOM 0 H ARG A 10 5.175 -8.292 -3.973 1.00 0.00 H new ATOM 0 HA ARG A 10 6.872 -6.597 -5.559 1.00 0.00 H new ATOM 0 HB2 ARG A 10 7.798 -8.387 -4.196 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.803 -9.581 -5.005 1.00 0.00 H new ATOM 0 HG2 ARG A 10 8.578 -7.955 -6.765 1.00 0.00 H new ATOM 0 HG3 ARG A 10 9.384 -9.061 -5.670 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.209 -10.962 -6.565 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.076 -9.945 -7.434 1.00 0.00 H new ATOM 0 HE ARG A 10 9.474 -9.184 -8.532 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.962 -12.327 -7.944 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.749 -13.090 -9.330 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.474 -10.174 -10.304 1.00 0.00 H new ATOM 0 HH22 ARG A 10 10.163 -11.876 -10.659 1.00 0.00 H new ATOM 191 N SER A 11 6.461 -7.358 -7.961 1.00 0.00 N ATOM 192 CA SER A 11 6.002 -7.574 -9.328 1.00 0.00 C ATOM 193 C SER A 11 6.326 -8.989 -9.794 1.00 0.00 C ATOM 194 O SER A 11 7.450 -9.276 -10.204 1.00 0.00 O ATOM 195 CB SER A 11 6.629 -6.555 -10.277 1.00 0.00 C ATOM 196 OG SER A 11 7.630 -5.791 -9.623 1.00 0.00 O ATOM 0 H SER A 11 7.325 -6.822 -7.881 1.00 0.00 H new ATOM 0 HA SER A 11 4.920 -7.444 -9.340 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.063 -7.071 -11.133 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.856 -5.891 -10.664 1.00 0.00 H new ATOM 0 HG SER A 11 8.015 -5.148 -10.254 1.00 0.00 H new ATOM 202 N GLY A 12 5.333 -9.866 -9.726 1.00 0.00 N ATOM 203 CA GLY A 12 5.530 -11.243 -10.144 1.00 0.00 C ATOM 204 C GLY A 12 4.439 -11.734 -11.076 1.00 0.00 C ATOM 205 O GLY A 12 3.286 -11.882 -10.670 1.00 0.00 O ATOM 0 H GLY A 12 4.395 -9.650 -9.389 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.495 -11.332 -10.642 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.565 -11.884 -9.263 1.00 0.00 H new ATOM 209 N GLY A 13 4.806 -11.992 -12.327 1.00 0.00 N ATOM 210 CA GLY A 13 3.843 -12.473 -13.301 1.00 0.00 C ATOM 211 C GLY A 13 2.822 -11.420 -13.687 1.00 0.00 C ATOM 212 O GLY A 13 3.053 -10.224 -13.506 1.00 0.00 O ATOM 0 H GLY A 13 5.754 -11.876 -12.684 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.372 -12.805 -14.195 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.326 -13.343 -12.895 1.00 0.00 H new ATOM 216 N GLU A 14 1.689 -11.868 -14.221 1.00 0.00 N ATOM 217 CA GLU A 14 0.625 -10.960 -14.636 1.00 0.00 C ATOM 218 C GLU A 14 0.010 -10.239 -13.438 1.00 0.00 C ATOM 219 O GLU A 14 -0.711 -9.255 -13.602 1.00 0.00 O ATOM 220 CB GLU A 14 -0.460 -11.729 -15.393 1.00 0.00 C ATOM 221 CG GLU A 14 -1.396 -10.835 -16.190 1.00 0.00 C ATOM 222 CD GLU A 14 -2.787 -11.423 -16.326 1.00 0.00 C ATOM 223 OE1 GLU A 14 -3.164 -12.259 -15.479 1.00 0.00 O ATOM 224 OE2 GLU A 14 -3.500 -11.047 -17.280 1.00 0.00 O ATOM 0 H GLU A 14 1.484 -12.855 -14.376 1.00 0.00 H new ATOM 0 HA GLU A 14 1.064 -10.211 -15.295 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.015 -12.439 -16.070 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.045 -12.311 -14.681 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.463 -9.861 -15.705 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.977 -10.669 -17.182 1.00 0.00 H new ATOM 231 N LYS A 15 0.297 -10.730 -12.236 1.00 0.00 N ATOM 232 CA LYS A 15 -0.226 -10.129 -11.019 1.00 0.00 C ATOM 233 C LYS A 15 0.914 -9.677 -10.114 1.00 0.00 C ATOM 234 O LYS A 15 2.080 -9.708 -10.508 1.00 0.00 O ATOM 235 CB LYS A 15 -1.123 -11.124 -10.279 1.00 0.00 C ATOM 236 CG LYS A 15 -0.406 -12.400 -9.866 1.00 0.00 C ATOM 237 CD LYS A 15 0.182 -12.284 -8.468 1.00 0.00 C ATOM 238 CE LYS A 15 -0.294 -13.411 -7.567 1.00 0.00 C ATOM 239 NZ LYS A 15 -0.036 -13.118 -6.129 1.00 0.00 N ATOM 0 H LYS A 15 0.891 -11.545 -12.081 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.819 -9.257 -11.293 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.530 -10.642 -9.390 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.968 -11.382 -10.917 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.103 -13.237 -9.900 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.389 -12.618 -10.579 1.00 0.00 H new ATOM 0 HD2 LYS A 15 1.270 -12.300 -8.528 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.099 -11.325 -8.032 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.361 -13.572 -7.719 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.210 -14.336 -7.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.770 -13.686 -5.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.182 -12.108 -6.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.880 -13.356 -5.569 1.00 0.00 H new ATOM 253 N ALA A 16 0.573 -9.253 -8.903 1.00 0.00 N ATOM 254 CA ALA A 16 1.573 -8.790 -7.951 1.00 0.00 C ATOM 255 C ALA A 16 1.647 -9.710 -6.737 1.00 0.00 C ATOM 256 O ALA A 16 0.623 -10.091 -6.171 1.00 0.00 O ATOM 257 CB ALA A 16 1.260 -7.368 -7.519 1.00 0.00 C ATOM 0 H ALA A 16 -0.386 -9.221 -8.558 1.00 0.00 H new ATOM 0 HA ALA A 16 2.546 -8.807 -8.443 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.013 -7.030 -6.807 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.265 -6.714 -8.391 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.277 -7.339 -7.049 1.00 0.00 H new ATOM 263 N LEU A 17 2.866 -10.059 -6.341 1.00 0.00 N ATOM 264 CA LEU A 17 3.072 -10.930 -5.191 1.00 0.00 C ATOM 265 C LEU A 17 2.667 -10.227 -3.902 1.00 0.00 C ATOM 266 O LEU A 17 3.452 -9.484 -3.317 1.00 0.00 O ATOM 267 CB LEU A 17 4.537 -11.364 -5.103 1.00 0.00 C ATOM 268 CG LEU A 17 4.785 -12.693 -4.380 1.00 0.00 C ATOM 269 CD1 LEU A 17 3.906 -12.817 -3.143 1.00 0.00 C ATOM 270 CD2 LEU A 17 4.544 -13.862 -5.325 1.00 0.00 C ATOM 0 H LEU A 17 3.725 -9.753 -6.799 1.00 0.00 H new ATOM 0 HA LEU A 17 2.446 -11.813 -5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.938 -11.439 -6.114 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.100 -10.582 -4.594 1.00 0.00 H new ATOM 0 HG LEU A 17 5.825 -12.713 -4.056 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.103 -13.769 -2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.127 -12.000 -2.456 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.857 -12.770 -3.436 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.724 -14.799 -4.798 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.513 -13.837 -5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.222 -13.788 -6.175 1.00 0.00 H new ATOM 282 N GLU A 18 1.436 -10.467 -3.462 1.00 0.00 N ATOM 283 CA GLU A 18 0.922 -9.855 -2.242 1.00 0.00 C ATOM 284 C GLU A 18 1.910 -9.995 -1.084 1.00 0.00 C ATOM 285 O GLU A 18 1.918 -11.006 -0.383 1.00 0.00 O ATOM 286 CB GLU A 18 -0.420 -10.486 -1.860 1.00 0.00 C ATOM 287 CG GLU A 18 -1.609 -9.567 -2.083 1.00 0.00 C ATOM 288 CD GLU A 18 -2.300 -9.821 -3.409 1.00 0.00 C ATOM 289 OE1 GLU A 18 -1.680 -9.555 -4.460 1.00 0.00 O ATOM 290 OE2 GLU A 18 -3.458 -10.287 -3.395 1.00 0.00 O ATOM 0 H GLU A 18 0.774 -11.083 -3.934 1.00 0.00 H new ATOM 0 HA GLU A 18 0.781 -8.792 -2.438 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.562 -11.397 -2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.389 -10.778 -0.810 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.325 -9.702 -1.272 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.275 -8.530 -2.044 1.00 0.00 H new ATOM 297 N LEU A 19 2.729 -8.966 -0.880 1.00 0.00 N ATOM 298 CA LEU A 19 3.702 -8.973 0.205 1.00 0.00 C ATOM 299 C LEU A 19 2.987 -8.814 1.536 1.00 0.00 C ATOM 300 O LEU A 19 2.866 -9.769 2.301 1.00 0.00 O ATOM 301 CB LEU A 19 4.733 -7.869 0.010 1.00 0.00 C ATOM 302 CG LEU A 19 5.611 -8.029 -1.231 1.00 0.00 C ATOM 303 CD1 LEU A 19 6.206 -6.694 -1.633 1.00 0.00 C ATOM 304 CD2 LEU A 19 6.710 -9.055 -0.987 1.00 0.00 C ATOM 0 H LEU A 19 2.737 -8.120 -1.450 1.00 0.00 H new ATOM 0 HA LEU A 19 4.229 -9.927 0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.214 -6.912 -0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.375 -7.830 0.890 1.00 0.00 H new ATOM 0 HG LEU A 19 4.987 -8.390 -2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.829 -6.825 -2.518 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.404 -5.990 -1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.814 -6.306 -0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.322 -9.152 -1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.334 -8.729 -0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.261 -10.019 -0.748 1.00 0.00 H new ATOM 316 N SER A 20 2.480 -7.615 1.790 1.00 0.00 N ATOM 317 CA SER A 20 1.736 -7.353 3.012 1.00 0.00 C ATOM 318 C SER A 20 0.396 -6.716 2.669 1.00 0.00 C ATOM 319 O SER A 20 0.231 -6.169 1.579 1.00 0.00 O ATOM 320 CB SER A 20 2.521 -6.461 3.969 1.00 0.00 C ATOM 321 OG SER A 20 2.293 -5.089 3.703 1.00 0.00 O ATOM 0 H SER A 20 2.570 -6.812 1.168 1.00 0.00 H new ATOM 0 HA SER A 20 1.567 -8.303 3.518 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.234 -6.686 4.996 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.585 -6.678 3.880 1.00 0.00 H new ATOM 0 HG SER A 20 1.498 -4.789 4.192 1.00 0.00 H new ATOM 327 N GLU A 21 -0.568 -6.797 3.581 1.00 0.00 N ATOM 328 CA GLU A 21 -1.883 -6.230 3.314 1.00 0.00 C ATOM 329 C GLU A 21 -2.526 -5.608 4.550 1.00 0.00 C ATOM 330 O GLU A 21 -2.892 -6.305 5.496 1.00 0.00 O ATOM 331 CB GLU A 21 -2.812 -7.304 2.743 1.00 0.00 C ATOM 332 CG GLU A 21 -2.312 -7.919 1.446 1.00 0.00 C ATOM 333 CD GLU A 21 -1.623 -9.252 1.660 1.00 0.00 C ATOM 334 OE1 GLU A 21 -0.520 -9.263 2.246 1.00 0.00 O ATOM 335 OE2 GLU A 21 -2.187 -10.285 1.242 1.00 0.00 O ATOM 0 H GLU A 21 -0.467 -7.241 4.494 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.736 -5.430 2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.938 -8.093 3.484 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.796 -6.867 2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.152 -8.054 0.765 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.619 -7.229 0.965 1.00 0.00 H new ATOM 342 N VAL A 22 -2.693 -4.291 4.506 1.00 0.00 N ATOM 343 CA VAL A 22 -3.327 -3.550 5.583 1.00 0.00 C ATOM 344 C VAL A 22 -4.561 -2.839 5.038 1.00 0.00 C ATOM 345 O VAL A 22 -4.508 -2.226 3.971 1.00 0.00 O ATOM 346 CB VAL A 22 -2.360 -2.529 6.210 1.00 0.00 C ATOM 347 CG1 VAL A 22 -1.930 -1.480 5.199 1.00 0.00 C ATOM 348 CG2 VAL A 22 -2.981 -1.870 7.431 1.00 0.00 C ATOM 0 H VAL A 22 -2.392 -3.711 3.723 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.616 -4.251 6.366 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.471 -3.073 6.528 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.248 -0.775 5.674 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.426 -1.965 4.363 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.807 -0.946 4.833 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.278 -1.153 7.855 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.895 -1.352 7.140 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.216 -2.631 8.175 1.00 0.00 H new ATOM 358 N LYS A 23 -5.680 -2.950 5.742 1.00 0.00 N ATOM 359 CA LYS A 23 -6.918 -2.337 5.274 1.00 0.00 C ATOM 360 C LYS A 23 -7.406 -1.226 6.181 1.00 0.00 C ATOM 361 O LYS A 23 -7.054 -1.149 7.359 1.00 0.00 O ATOM 362 CB LYS A 23 -8.025 -3.385 5.164 1.00 0.00 C ATOM 363 CG LYS A 23 -7.612 -4.636 4.405 1.00 0.00 C ATOM 364 CD LYS A 23 -7.091 -5.711 5.346 1.00 0.00 C ATOM 365 CE LYS A 23 -8.228 -6.517 5.952 1.00 0.00 C ATOM 366 NZ LYS A 23 -9.079 -7.150 4.907 1.00 0.00 N ATOM 0 H LYS A 23 -5.757 -3.451 6.627 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.690 -1.908 4.298 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.345 -3.669 6.167 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.887 -2.939 4.669 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.464 -5.022 3.846 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.841 -4.383 3.677 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.420 -6.377 4.804 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.507 -5.248 6.141 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.819 -7.289 6.603 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.842 -5.867 6.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.534 -7.999 5.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.809 -6.476 4.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.489 -7.417 4.093 1.00 0.00 H new ATOM 380 N ASP A 24 -8.267 -0.395 5.613 1.00 0.00 N ATOM 381 CA ASP A 24 -8.884 0.699 6.333 1.00 0.00 C ATOM 382 C ASP A 24 -10.367 0.712 6.000 1.00 0.00 C ATOM 383 O ASP A 24 -10.758 1.065 4.888 1.00 0.00 O ATOM 384 CB ASP A 24 -8.239 2.032 5.950 1.00 0.00 C ATOM 385 CG ASP A 24 -7.953 2.904 7.157 1.00 0.00 C ATOM 386 OD1 ASP A 24 -7.213 2.450 8.055 1.00 0.00 O ATOM 387 OD2 ASP A 24 -8.471 4.040 7.203 1.00 0.00 O ATOM 0 H ASP A 24 -8.556 -0.464 4.637 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.742 0.561 7.405 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.309 1.842 5.414 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.897 2.568 5.266 1.00 0.00 H new ATOM 392 N LEU A 25 -11.185 0.305 6.958 1.00 0.00 N ATOM 393 CA LEU A 25 -12.626 0.246 6.761 1.00 0.00 C ATOM 394 C LEU A 25 -13.362 0.902 7.919 1.00 0.00 C ATOM 395 O LEU A 25 -13.788 0.232 8.861 1.00 0.00 O ATOM 396 CB LEU A 25 -13.072 -1.208 6.603 1.00 0.00 C ATOM 397 CG LEU A 25 -12.319 -1.996 5.530 1.00 0.00 C ATOM 398 CD1 LEU A 25 -12.281 -3.475 5.881 1.00 0.00 C ATOM 399 CD2 LEU A 25 -12.959 -1.785 4.166 1.00 0.00 C ATOM 0 H LEU A 25 -10.874 0.009 7.884 1.00 0.00 H new ATOM 0 HA LEU A 25 -12.872 0.795 5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.951 -1.717 7.559 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -14.136 -1.223 6.366 1.00 0.00 H new ATOM 0 HG LEU A 25 -11.294 -1.628 5.489 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.741 -4.019 5.106 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.776 -3.609 6.837 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -13.299 -3.858 5.952 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.410 -2.353 3.415 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.994 -2.125 4.193 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.932 -0.726 3.911 1.00 0.00 H new ATOM 411 N SER A 26 -13.500 2.217 7.843 1.00 0.00 N ATOM 412 CA SER A 26 -14.177 2.978 8.888 1.00 0.00 C ATOM 413 C SER A 26 -15.547 3.483 8.431 1.00 0.00 C ATOM 414 O SER A 26 -16.351 3.931 9.248 1.00 0.00 O ATOM 415 CB SER A 26 -13.309 4.160 9.324 1.00 0.00 C ATOM 416 OG SER A 26 -11.932 3.870 9.155 1.00 0.00 O ATOM 0 H SER A 26 -13.152 2.782 7.068 1.00 0.00 H new ATOM 0 HA SER A 26 -14.334 2.306 9.732 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.572 5.043 8.742 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.509 4.396 10.369 1.00 0.00 H new ATOM 0 HG SER A 26 -11.398 4.641 9.439 1.00 0.00 H new ATOM 422 N GLN A 27 -15.811 3.418 7.127 1.00 0.00 N ATOM 423 CA GLN A 27 -17.086 3.884 6.586 1.00 0.00 C ATOM 424 C GLN A 27 -17.896 2.739 5.979 1.00 0.00 C ATOM 425 O GLN A 27 -19.122 2.813 5.896 1.00 0.00 O ATOM 426 CB GLN A 27 -16.848 4.968 5.534 1.00 0.00 C ATOM 427 CG GLN A 27 -16.807 6.373 6.110 1.00 0.00 C ATOM 428 CD GLN A 27 -16.918 7.445 5.043 1.00 0.00 C ATOM 429 OE1 GLN A 27 -17.547 7.240 4.005 1.00 0.00 O ATOM 430 NE2 GLN A 27 -16.306 8.596 5.294 1.00 0.00 N ATOM 0 H GLN A 27 -15.164 3.050 6.430 1.00 0.00 H new ATOM 0 HA GLN A 27 -17.662 4.299 7.413 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -15.907 4.766 5.022 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -17.637 4.914 4.784 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -17.621 6.492 6.825 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -15.876 6.509 6.661 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -15.796 8.722 6.168 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -16.346 9.354 4.613 1.00 0.00 H new ATOM 439 N PHE A 28 -17.209 1.685 5.553 1.00 0.00 N ATOM 440 CA PHE A 28 -17.872 0.529 4.952 1.00 0.00 C ATOM 441 C PHE A 28 -18.458 -0.377 6.031 1.00 0.00 C ATOM 442 O PHE A 28 -17.771 -0.745 6.985 1.00 0.00 O ATOM 443 CB PHE A 28 -16.891 -0.259 4.080 1.00 0.00 C ATOM 444 CG PHE A 28 -15.810 0.592 3.482 1.00 0.00 C ATOM 445 CD1 PHE A 28 -16.015 1.278 2.296 1.00 0.00 C ATOM 446 CD2 PHE A 28 -14.591 0.715 4.121 1.00 0.00 C ATOM 447 CE1 PHE A 28 -15.017 2.073 1.762 1.00 0.00 C ATOM 448 CE2 PHE A 28 -13.592 1.503 3.592 1.00 0.00 C ATOM 449 CZ PHE A 28 -13.804 2.184 2.413 1.00 0.00 C ATOM 0 H PHE A 28 -16.194 1.605 5.612 1.00 0.00 H new ATOM 0 HA PHE A 28 -18.685 0.893 4.324 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -16.434 -1.046 4.680 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -17.442 -0.750 3.278 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -16.962 1.191 1.784 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -14.419 0.187 5.047 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -15.186 2.606 0.838 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -12.643 1.587 4.101 1.00 0.00 H new ATOM 0 HZ PHE A 28 -13.023 2.804 1.999 1.00 0.00 H new ATOM 459 N GLY A 29 -19.732 -0.729 5.881 1.00 0.00 N ATOM 460 CA GLY A 29 -20.389 -1.584 6.855 1.00 0.00 C ATOM 461 C GLY A 29 -19.610 -2.854 7.146 1.00 0.00 C ATOM 462 O GLY A 29 -18.540 -3.074 6.582 1.00 0.00 O ATOM 0 H GLY A 29 -20.322 -0.437 5.102 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -20.529 -1.029 7.783 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -21.381 -1.848 6.489 1.00 0.00 H new ATOM 466 N PHE A 30 -20.152 -3.691 8.026 1.00 0.00 N ATOM 467 CA PHE A 30 -19.500 -4.948 8.388 1.00 0.00 C ATOM 468 C PHE A 30 -19.489 -5.901 7.199 1.00 0.00 C ATOM 469 O PHE A 30 -18.495 -6.578 6.937 1.00 0.00 O ATOM 470 CB PHE A 30 -20.206 -5.617 9.574 1.00 0.00 C ATOM 471 CG PHE A 30 -20.877 -4.655 10.513 1.00 0.00 C ATOM 472 CD1 PHE A 30 -20.133 -3.902 11.406 1.00 0.00 C ATOM 473 CD2 PHE A 30 -22.255 -4.505 10.500 1.00 0.00 C ATOM 474 CE1 PHE A 30 -20.750 -3.017 12.270 1.00 0.00 C ATOM 475 CE2 PHE A 30 -22.878 -3.623 11.361 1.00 0.00 C ATOM 476 CZ PHE A 30 -22.125 -2.877 12.247 1.00 0.00 C ATOM 0 H PHE A 30 -21.039 -3.523 8.501 1.00 0.00 H new ATOM 0 HA PHE A 30 -18.475 -4.718 8.678 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -20.952 -6.315 9.192 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -19.477 -6.204 10.133 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -19.058 -4.008 11.428 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -22.848 -5.085 9.808 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -20.159 -2.436 12.962 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -23.953 -3.517 11.342 1.00 0.00 H new ATOM 0 HZ PHE A 30 -22.610 -2.186 12.920 1.00 0.00 H new ATOM 486 N PHE A 31 -20.605 -5.943 6.482 1.00 0.00 N ATOM 487 CA PHE A 31 -20.735 -6.804 5.315 1.00 0.00 C ATOM 488 C PHE A 31 -20.143 -6.131 4.081 1.00 0.00 C ATOM 489 O PHE A 31 -19.721 -6.800 3.138 1.00 0.00 O ATOM 490 CB PHE A 31 -22.207 -7.147 5.071 1.00 0.00 C ATOM 491 CG PHE A 31 -22.968 -7.459 6.331 1.00 0.00 C ATOM 492 CD1 PHE A 31 -22.963 -8.739 6.859 1.00 0.00 C ATOM 493 CD2 PHE A 31 -23.686 -6.469 6.984 1.00 0.00 C ATOM 494 CE1 PHE A 31 -23.660 -9.029 8.016 1.00 0.00 C ATOM 495 CE2 PHE A 31 -24.387 -6.754 8.142 1.00 0.00 C ATOM 496 CZ PHE A 31 -24.373 -8.035 8.658 1.00 0.00 C ATOM 0 H PHE A 31 -21.435 -5.388 6.690 1.00 0.00 H new ATOM 0 HA PHE A 31 -20.184 -7.725 5.505 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -22.687 -6.310 4.564 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -22.266 -8.003 4.399 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -22.408 -9.520 6.361 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -23.698 -5.466 6.585 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -23.648 -10.031 8.418 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -24.945 -5.976 8.642 1.00 0.00 H new ATOM 0 HZ PHE A 31 -24.919 -8.259 9.562 1.00 0.00 H new ATOM 506 N GLU A 32 -20.113 -4.801 4.097 1.00 0.00 N ATOM 507 CA GLU A 32 -19.569 -4.035 2.984 1.00 0.00 C ATOM 508 C GLU A 32 -18.048 -3.957 3.071 1.00 0.00 C ATOM 509 O GLU A 32 -17.351 -4.153 2.076 1.00 0.00 O ATOM 510 CB GLU A 32 -20.167 -2.626 2.969 1.00 0.00 C ATOM 511 CG GLU A 32 -21.197 -2.414 1.871 1.00 0.00 C ATOM 512 CD GLU A 32 -22.612 -2.690 2.338 1.00 0.00 C ATOM 513 OE1 GLU A 32 -22.885 -3.832 2.765 1.00 0.00 O ATOM 514 OE2 GLU A 32 -23.449 -1.764 2.276 1.00 0.00 O ATOM 0 H GLU A 32 -20.460 -4.233 4.870 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.835 -4.544 2.058 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -20.632 -2.427 3.935 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -19.363 -1.900 2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -21.131 -1.388 1.510 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -20.963 -3.064 1.028 1.00 0.00 H new ATOM 521 N ARG A 33 -17.539 -3.671 4.268 1.00 0.00 N ATOM 522 CA ARG A 33 -16.098 -3.568 4.484 1.00 0.00 C ATOM 523 C ARG A 33 -15.371 -4.776 3.903 1.00 0.00 C ATOM 524 O ARG A 33 -14.283 -4.647 3.341 1.00 0.00 O ATOM 525 CB ARG A 33 -15.787 -3.435 5.978 1.00 0.00 C ATOM 526 CG ARG A 33 -16.106 -4.683 6.784 1.00 0.00 C ATOM 527 CD ARG A 33 -15.582 -4.576 8.207 1.00 0.00 C ATOM 528 NE ARG A 33 -15.158 -5.871 8.733 1.00 0.00 N ATOM 529 CZ ARG A 33 -14.768 -6.069 9.989 1.00 0.00 C ATOM 530 NH1 ARG A 33 -14.746 -5.060 10.852 1.00 0.00 N ATOM 531 NH2 ARG A 33 -14.399 -7.279 10.385 1.00 0.00 N ATOM 0 H ARG A 33 -18.103 -3.507 5.102 1.00 0.00 H new ATOM 0 HA ARG A 33 -15.745 -2.674 3.970 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -14.731 -3.195 6.100 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.353 -2.597 6.384 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -17.185 -4.839 6.803 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -15.666 -5.554 6.298 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.742 -3.882 8.233 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -16.359 -4.161 8.849 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.161 -6.671 8.100 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -15.029 -4.127 10.553 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.446 -5.218 11.814 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -14.414 -8.058 9.727 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.100 -7.431 11.348 1.00 0.00 H new ATOM 545 N SER A 34 -15.984 -5.947 4.031 1.00 0.00 N ATOM 546 CA SER A 34 -15.398 -7.172 3.506 1.00 0.00 C ATOM 547 C SER A 34 -15.265 -7.080 1.991 1.00 0.00 C ATOM 548 O SER A 34 -14.193 -7.323 1.431 1.00 0.00 O ATOM 549 CB SER A 34 -16.258 -8.380 3.886 1.00 0.00 C ATOM 550 OG SER A 34 -15.610 -9.595 3.550 1.00 0.00 O ATOM 0 H SER A 34 -16.885 -6.073 4.493 1.00 0.00 H new ATOM 0 HA SER A 34 -14.407 -7.299 3.942 1.00 0.00 H new ATOM 0 HB2 SER A 34 -16.467 -8.359 4.956 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.218 -8.322 3.373 1.00 0.00 H new ATOM 0 HG SER A 34 -16.180 -10.351 3.805 1.00 0.00 H new ATOM 556 N SER A 35 -16.361 -6.713 1.335 1.00 0.00 N ATOM 557 CA SER A 35 -16.373 -6.573 -0.114 1.00 0.00 C ATOM 558 C SER A 35 -15.388 -5.496 -0.553 1.00 0.00 C ATOM 559 O SER A 35 -14.653 -5.672 -1.526 1.00 0.00 O ATOM 560 CB SER A 35 -17.780 -6.226 -0.603 1.00 0.00 C ATOM 561 OG SER A 35 -18.768 -6.762 0.259 1.00 0.00 O ATOM 0 H SER A 35 -17.253 -6.507 1.786 1.00 0.00 H new ATOM 0 HA SER A 35 -16.072 -7.524 -0.554 1.00 0.00 H new ATOM 0 HB2 SER A 35 -17.892 -5.143 -0.660 1.00 0.00 H new ATOM 0 HB3 SER A 35 -17.924 -6.614 -1.611 1.00 0.00 H new ATOM 0 HG SER A 35 -19.658 -6.524 -0.076 1.00 0.00 H new ATOM 567 N VAL A 36 -15.367 -4.383 0.175 1.00 0.00 N ATOM 568 CA VAL A 36 -14.458 -3.293 -0.146 1.00 0.00 C ATOM 569 C VAL A 36 -13.019 -3.723 0.078 1.00 0.00 C ATOM 570 O VAL A 36 -12.131 -3.371 -0.694 1.00 0.00 O ATOM 571 CB VAL A 36 -14.728 -2.022 0.685 1.00 0.00 C ATOM 572 CG1 VAL A 36 -14.266 -0.796 -0.083 1.00 0.00 C ATOM 573 CG2 VAL A 36 -16.199 -1.897 1.059 1.00 0.00 C ATOM 0 H VAL A 36 -15.965 -4.215 0.984 1.00 0.00 H new ATOM 0 HA VAL A 36 -14.629 -3.052 -1.195 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.162 -2.098 1.614 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -14.459 0.098 0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -13.198 -0.874 -0.284 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.809 -0.731 -1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.350 -0.990 1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -16.802 -1.849 0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.499 -2.763 1.649 1.00 0.00 H new ATOM 583 N GLY A 37 -12.795 -4.500 1.136 1.00 0.00 N ATOM 584 CA GLY A 37 -11.457 -4.978 1.429 1.00 0.00 C ATOM 585 C GLY A 37 -10.855 -5.690 0.240 1.00 0.00 C ATOM 586 O GLY A 37 -9.742 -5.378 -0.184 1.00 0.00 O ATOM 0 H GLY A 37 -13.514 -4.805 1.792 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.822 -4.138 1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.489 -5.655 2.283 1.00 0.00 H new ATOM 590 N GLN A 38 -11.609 -6.630 -0.323 1.00 0.00 N ATOM 591 CA GLN A 38 -11.152 -7.362 -1.495 1.00 0.00 C ATOM 592 C GLN A 38 -10.936 -6.384 -2.642 1.00 0.00 C ATOM 593 O GLN A 38 -10.009 -6.531 -3.438 1.00 0.00 O ATOM 594 CB GLN A 38 -12.171 -8.429 -1.896 1.00 0.00 C ATOM 595 CG GLN A 38 -12.414 -9.469 -0.815 1.00 0.00 C ATOM 596 CD GLN A 38 -12.267 -10.889 -1.326 1.00 0.00 C ATOM 597 OE1 GLN A 38 -11.427 -11.650 -0.844 1.00 0.00 O ATOM 598 NE2 GLN A 38 -13.084 -11.253 -2.307 1.00 0.00 N ATOM 0 H GLN A 38 -12.534 -6.900 0.013 1.00 0.00 H new ATOM 0 HA GLN A 38 -10.213 -7.863 -1.260 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -13.116 -7.944 -2.142 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -11.825 -8.930 -2.800 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.712 -9.307 0.003 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -13.416 -9.336 -0.407 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -13.765 -10.589 -2.676 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.031 -12.196 -2.692 1.00 0.00 H new ATOM 607 N PHE A 39 -11.796 -5.371 -2.700 1.00 0.00 N ATOM 608 CA PHE A 39 -11.704 -4.342 -3.724 1.00 0.00 C ATOM 609 C PHE A 39 -10.399 -3.570 -3.576 1.00 0.00 C ATOM 610 O PHE A 39 -9.728 -3.254 -4.560 1.00 0.00 O ATOM 611 CB PHE A 39 -12.893 -3.384 -3.615 1.00 0.00 C ATOM 612 CG PHE A 39 -13.534 -3.071 -4.935 1.00 0.00 C ATOM 613 CD1 PHE A 39 -12.799 -2.493 -5.956 1.00 0.00 C ATOM 614 CD2 PHE A 39 -14.872 -3.357 -5.156 1.00 0.00 C ATOM 615 CE1 PHE A 39 -13.384 -2.204 -7.174 1.00 0.00 C ATOM 616 CE2 PHE A 39 -15.465 -3.070 -6.370 1.00 0.00 C ATOM 617 CZ PHE A 39 -14.720 -2.492 -7.381 1.00 0.00 C ATOM 0 H PHE A 39 -12.567 -5.243 -2.045 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.723 -4.819 -4.704 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -13.640 -3.819 -2.952 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -12.559 -2.455 -3.153 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -11.755 -2.265 -5.798 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -15.458 -3.810 -4.370 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -12.799 -1.754 -7.962 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -16.509 -3.297 -6.529 1.00 0.00 H new ATOM 0 HZ PHE A 39 -15.181 -2.266 -8.331 1.00 0.00 H new ATOM 627 N MET A 40 -10.054 -3.271 -2.330 1.00 0.00 N ATOM 628 CA MET A 40 -8.840 -2.533 -2.016 1.00 0.00 C ATOM 629 C MET A 40 -7.590 -3.300 -2.437 1.00 0.00 C ATOM 630 O MET A 40 -6.793 -2.813 -3.240 1.00 0.00 O ATOM 631 CB MET A 40 -8.788 -2.242 -0.517 1.00 0.00 C ATOM 632 CG MET A 40 -9.368 -0.888 -0.139 1.00 0.00 C ATOM 633 SD MET A 40 -10.031 -0.862 1.538 1.00 0.00 S ATOM 634 CE MET A 40 -11.542 0.068 1.290 1.00 0.00 C ATOM 0 H MET A 40 -10.606 -3.532 -1.513 1.00 0.00 H new ATOM 0 HA MET A 40 -8.862 -1.597 -2.575 1.00 0.00 H new ATOM 0 HB2 MET A 40 -9.332 -3.022 0.015 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.752 -2.291 -0.182 1.00 0.00 H new ATOM 0 HG2 MET A 40 -8.594 -0.126 -0.232 1.00 0.00 H new ATOM 0 HG3 MET A 40 -10.158 -0.626 -0.842 1.00 0.00 H new ATOM 0 HE1 MET A 40 -11.496 0.996 1.860 1.00 0.00 H new ATOM 0 HE2 MET A 40 -11.658 0.298 0.231 1.00 0.00 H new ATOM 0 HE3 MET A 40 -12.393 -0.524 1.628 1.00 0.00 H new ATOM 644 N THR A 41 -7.417 -4.496 -1.884 1.00 0.00 N ATOM 645 CA THR A 41 -6.255 -5.321 -2.198 1.00 0.00 C ATOM 646 C THR A 41 -6.216 -5.670 -3.681 1.00 0.00 C ATOM 647 O THR A 41 -5.224 -5.409 -4.346 1.00 0.00 O ATOM 648 CB THR A 41 -6.265 -6.597 -1.358 1.00 0.00 C ATOM 649 OG1 THR A 41 -6.382 -6.290 0.020 1.00 0.00 O ATOM 650 CG2 THR A 41 -5.022 -7.442 -1.536 1.00 0.00 C ATOM 0 H THR A 41 -8.065 -4.915 -1.217 1.00 0.00 H new ATOM 0 HA THR A 41 -5.360 -4.747 -1.958 1.00 0.00 H new ATOM 0 HB THR A 41 -7.125 -7.167 -1.710 1.00 0.00 H new ATOM 0 HG1 THR A 41 -5.899 -5.459 0.212 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.095 -8.332 -0.911 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.930 -7.738 -2.581 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.145 -6.865 -1.244 1.00 0.00 H new ATOM 658 N PHE A 42 -7.295 -6.254 -4.197 1.00 0.00 N ATOM 659 CA PHE A 42 -7.364 -6.622 -5.613 1.00 0.00 C ATOM 660 C PHE A 42 -6.839 -5.483 -6.485 1.00 0.00 C ATOM 661 O PHE A 42 -6.086 -5.698 -7.438 1.00 0.00 O ATOM 662 CB PHE A 42 -8.804 -6.960 -6.007 1.00 0.00 C ATOM 663 CG PHE A 42 -8.911 -7.696 -7.312 1.00 0.00 C ATOM 664 CD1 PHE A 42 -8.647 -9.054 -7.381 1.00 0.00 C ATOM 665 CD2 PHE A 42 -9.278 -7.029 -8.470 1.00 0.00 C ATOM 666 CE1 PHE A 42 -8.745 -9.734 -8.579 1.00 0.00 C ATOM 667 CE2 PHE A 42 -9.379 -7.704 -9.673 1.00 0.00 C ATOM 668 CZ PHE A 42 -9.111 -9.059 -9.727 1.00 0.00 C ATOM 0 H PHE A 42 -8.132 -6.483 -3.660 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.740 -7.502 -5.770 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.255 -7.564 -5.220 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -9.381 -6.037 -6.071 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.361 -9.588 -6.487 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -9.488 -5.970 -8.433 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.536 -10.793 -8.618 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.667 -7.173 -10.569 1.00 0.00 H new ATOM 0 HZ PHE A 42 -9.188 -9.589 -10.665 1.00 0.00 H new ATOM 678 N PHE A 43 -7.229 -4.264 -6.133 1.00 0.00 N ATOM 679 CA PHE A 43 -6.791 -3.080 -6.857 1.00 0.00 C ATOM 680 C PHE A 43 -5.325 -2.788 -6.545 1.00 0.00 C ATOM 681 O PHE A 43 -4.590 -2.268 -7.385 1.00 0.00 O ATOM 682 CB PHE A 43 -7.667 -1.882 -6.473 1.00 0.00 C ATOM 683 CG PHE A 43 -7.836 -0.857 -7.561 1.00 0.00 C ATOM 684 CD1 PHE A 43 -7.852 -1.225 -8.899 1.00 0.00 C ATOM 685 CD2 PHE A 43 -7.986 0.483 -7.240 1.00 0.00 C ATOM 686 CE1 PHE A 43 -8.011 -0.276 -9.892 1.00 0.00 C ATOM 687 CE2 PHE A 43 -8.145 1.434 -8.227 1.00 0.00 C ATOM 688 CZ PHE A 43 -8.158 1.055 -9.555 1.00 0.00 C ATOM 0 H PHE A 43 -7.850 -4.071 -5.347 1.00 0.00 H new ATOM 0 HA PHE A 43 -6.890 -3.259 -7.928 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.651 -2.247 -6.180 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.233 -1.397 -5.599 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.739 -2.265 -9.168 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.978 0.787 -6.204 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.020 -0.575 -10.930 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.259 2.475 -7.961 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.283 1.798 -10.329 1.00 0.00 H new ATOM 698 N ALA A 44 -4.914 -3.139 -5.328 1.00 0.00 N ATOM 699 CA ALA A 44 -3.540 -2.932 -4.880 1.00 0.00 C ATOM 700 C ALA A 44 -2.583 -3.926 -5.537 1.00 0.00 C ATOM 701 O ALA A 44 -1.456 -3.583 -5.901 1.00 0.00 O ATOM 702 CB ALA A 44 -3.463 -3.049 -3.365 1.00 0.00 C ATOM 0 H ALA A 44 -5.519 -3.572 -4.630 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.235 -1.929 -5.179 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.434 -2.893 -3.040 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.106 -2.296 -2.909 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.794 -4.042 -3.059 1.00 0.00 H new ATOM 708 N GLU A 45 -3.041 -5.159 -5.695 1.00 0.00 N ATOM 709 CA GLU A 45 -2.235 -6.196 -6.316 1.00 0.00 C ATOM 710 C GLU A 45 -2.021 -5.862 -7.784 1.00 0.00 C ATOM 711 O GLU A 45 -0.931 -6.040 -8.323 1.00 0.00 O ATOM 712 CB GLU A 45 -2.917 -7.556 -6.165 1.00 0.00 C ATOM 713 CG GLU A 45 -4.337 -7.579 -6.688 1.00 0.00 C ATOM 714 CD GLU A 45 -4.915 -8.978 -6.752 1.00 0.00 C ATOM 715 OE1 GLU A 45 -4.750 -9.642 -7.797 1.00 0.00 O ATOM 716 OE2 GLU A 45 -5.534 -9.412 -5.757 1.00 0.00 O ATOM 0 H GLU A 45 -3.968 -5.465 -5.401 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.265 -6.246 -5.821 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.331 -8.308 -6.693 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.921 -7.837 -5.112 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.965 -6.960 -6.048 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.360 -7.135 -7.683 1.00 0.00 H new ATOM 723 N THR A 46 -3.070 -5.351 -8.423 1.00 0.00 N ATOM 724 CA THR A 46 -2.990 -4.964 -9.824 1.00 0.00 C ATOM 725 C THR A 46 -1.923 -3.888 -10.005 1.00 0.00 C ATOM 726 O THR A 46 -1.010 -4.037 -10.815 1.00 0.00 O ATOM 727 CB THR A 46 -4.357 -4.463 -10.312 1.00 0.00 C ATOM 728 OG1 THR A 46 -5.164 -5.548 -10.733 1.00 0.00 O ATOM 729 CG2 THR A 46 -4.279 -3.481 -11.463 1.00 0.00 C ATOM 0 H THR A 46 -3.982 -5.197 -7.992 1.00 0.00 H new ATOM 0 HA THR A 46 -2.711 -5.832 -10.421 1.00 0.00 H new ATOM 0 HB THR A 46 -4.789 -3.947 -9.454 1.00 0.00 H new ATOM 0 HG1 THR A 46 -6.032 -5.211 -11.039 1.00 0.00 H new ATOM 0 HG21 THR A 46 -5.285 -3.175 -11.749 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.707 -2.605 -11.156 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.789 -3.955 -12.313 1.00 0.00 H new ATOM 737 N VAL A 47 -2.040 -2.805 -9.239 1.00 0.00 N ATOM 738 CA VAL A 47 -1.073 -1.706 -9.319 1.00 0.00 C ATOM 739 C VAL A 47 0.351 -2.226 -9.299 1.00 0.00 C ATOM 740 O VAL A 47 1.097 -2.043 -10.260 1.00 0.00 O ATOM 741 CB VAL A 47 -1.203 -0.686 -8.168 1.00 0.00 C ATOM 742 CG1 VAL A 47 -1.834 0.599 -8.640 1.00 0.00 C ATOM 743 CG2 VAL A 47 -1.954 -1.233 -6.974 1.00 0.00 C ATOM 0 H VAL A 47 -2.788 -2.663 -8.560 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.299 -1.206 -10.261 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.185 -0.478 -7.838 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.911 1.295 -7.805 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.219 1.040 -9.424 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.830 0.393 -9.033 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.012 -0.469 -6.199 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.961 -1.519 -7.277 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.431 -2.106 -6.584 1.00 0.00 H new ATOM 753 N ALA A 48 0.731 -2.879 -8.207 1.00 0.00 N ATOM 754 CA ALA A 48 2.074 -3.421 -8.103 1.00 0.00 C ATOM 755 C ALA A 48 2.372 -4.281 -9.324 1.00 0.00 C ATOM 756 O ALA A 48 3.513 -4.362 -9.781 1.00 0.00 O ATOM 757 CB ALA A 48 2.244 -4.197 -6.809 1.00 0.00 C ATOM 0 H ALA A 48 0.136 -3.043 -7.395 1.00 0.00 H new ATOM 0 HA ALA A 48 2.793 -2.602 -8.078 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.258 -4.594 -6.753 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.066 -3.535 -5.962 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.530 -5.020 -6.782 1.00 0.00 H new ATOM 763 N SER A 49 1.321 -4.889 -9.878 1.00 0.00 N ATOM 764 CA SER A 49 1.456 -5.699 -11.076 1.00 0.00 C ATOM 765 C SER A 49 1.730 -4.785 -12.264 1.00 0.00 C ATOM 766 O SER A 49 2.539 -5.101 -13.137 1.00 0.00 O ATOM 767 CB SER A 49 0.189 -6.523 -11.323 1.00 0.00 C ATOM 768 OG SER A 49 0.464 -7.651 -12.138 1.00 0.00 O ATOM 0 H SER A 49 0.371 -4.832 -9.512 1.00 0.00 H new ATOM 0 HA SER A 49 2.286 -6.393 -10.946 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.226 -6.851 -10.370 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.566 -5.900 -11.802 1.00 0.00 H new ATOM 0 HG SER A 49 -0.301 -7.825 -12.725 1.00 0.00 H new ATOM 774 N ARG A 50 1.063 -3.630 -12.268 1.00 0.00 N ATOM 775 CA ARG A 50 1.247 -2.640 -13.321 1.00 0.00 C ATOM 776 C ARG A 50 2.592 -1.961 -13.160 1.00 0.00 C ATOM 777 O ARG A 50 3.211 -1.538 -14.136 1.00 0.00 O ATOM 778 CB ARG A 50 0.140 -1.581 -13.287 1.00 0.00 C ATOM 779 CG ARG A 50 -1.266 -2.149 -13.215 1.00 0.00 C ATOM 780 CD ARG A 50 -2.175 -1.266 -12.373 1.00 0.00 C ATOM 781 NE ARG A 50 -3.374 -0.858 -13.100 1.00 0.00 N ATOM 782 CZ ARG A 50 -3.404 0.139 -13.982 1.00 0.00 C ATOM 783 NH1 ARG A 50 -2.303 0.829 -14.251 1.00 0.00 N ATOM 784 NH2 ARG A 50 -4.538 0.446 -14.597 1.00 0.00 N ATOM 0 H ARG A 50 0.390 -3.360 -11.551 1.00 0.00 H new ATOM 0 HA ARG A 50 1.203 -3.158 -14.279 1.00 0.00 H new ATOM 0 HB2 ARG A 50 0.301 -0.931 -12.427 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.222 -0.958 -14.177 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.675 -2.242 -14.221 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.234 -3.152 -12.790 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.465 -1.802 -11.469 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.625 -0.380 -12.055 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.240 -1.367 -12.922 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.428 0.597 -13.781 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -2.332 1.592 -14.928 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.387 -0.082 -14.394 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.561 1.210 -15.273 1.00 0.00 H new ATOM 798 N THR A 51 3.042 -1.863 -11.916 1.00 0.00 N ATOM 799 CA THR A 51 4.311 -1.242 -11.626 1.00 0.00 C ATOM 800 C THR A 51 5.439 -2.228 -11.886 1.00 0.00 C ATOM 801 O THR A 51 5.645 -3.172 -11.123 1.00 0.00 O ATOM 802 CB THR A 51 4.322 -0.767 -10.171 1.00 0.00 C ATOM 803 OG1 THR A 51 3.089 -0.153 -9.853 1.00 0.00 O ATOM 804 CG2 THR A 51 5.424 0.225 -9.868 1.00 0.00 C ATOM 0 H THR A 51 2.541 -2.208 -11.097 1.00 0.00 H new ATOM 0 HA THR A 51 4.458 -0.379 -12.275 1.00 0.00 H new ATOM 0 HB THR A 51 4.495 -1.659 -9.569 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.376 -0.826 -9.864 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.371 0.518 -8.819 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.392 -0.234 -10.068 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.303 1.106 -10.498 1.00 0.00 H new ATOM 812 N GLY A 52 6.160 -2.004 -12.977 1.00 0.00 N ATOM 813 CA GLY A 52 7.257 -2.882 -13.336 1.00 0.00 C ATOM 814 C GLY A 52 8.560 -2.492 -12.669 1.00 0.00 C ATOM 815 O GLY A 52 9.625 -2.568 -13.282 1.00 0.00 O ATOM 0 H GLY A 52 6.004 -1.228 -13.621 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.004 -3.905 -13.059 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.389 -2.868 -14.418 1.00 0.00 H new ATOM 819 N ALA A 53 8.479 -2.079 -11.410 1.00 0.00 N ATOM 820 CA ALA A 53 9.665 -1.680 -10.661 1.00 0.00 C ATOM 821 C ALA A 53 10.341 -0.470 -11.295 1.00 0.00 C ATOM 822 O ALA A 53 10.350 -0.320 -12.517 1.00 0.00 O ATOM 823 CB ALA A 53 10.644 -2.839 -10.566 1.00 0.00 C ATOM 0 H ALA A 53 7.606 -2.012 -10.887 1.00 0.00 H new ATOM 0 HA ALA A 53 9.347 -1.400 -9.657 1.00 0.00 H new ATOM 0 HB1 ALA A 53 11.524 -2.527 -10.004 1.00 0.00 H new ATOM 0 HB2 ALA A 53 10.168 -3.677 -10.057 1.00 0.00 H new ATOM 0 HB3 ALA A 53 10.943 -3.146 -11.568 1.00 0.00 H new ATOM 829 N GLY A 54 10.903 0.391 -10.454 1.00 0.00 N ATOM 830 CA GLY A 54 11.572 1.578 -10.949 1.00 0.00 C ATOM 831 C GLY A 54 10.605 2.698 -11.277 1.00 0.00 C ATOM 832 O GLY A 54 11.019 3.775 -11.707 1.00 0.00 O ATOM 0 H GLY A 54 10.907 0.288 -9.439 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.286 1.926 -10.202 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.143 1.323 -11.842 1.00 0.00 H new ATOM 836 N GLU A 55 9.312 2.449 -11.077 1.00 0.00 N ATOM 837 CA GLU A 55 8.296 3.454 -11.360 1.00 0.00 C ATOM 838 C GLU A 55 7.162 3.399 -10.340 1.00 0.00 C ATOM 839 O GLU A 55 7.047 2.444 -9.572 1.00 0.00 O ATOM 840 CB GLU A 55 7.738 3.259 -12.770 1.00 0.00 C ATOM 841 CG GLU A 55 7.304 1.832 -13.061 1.00 0.00 C ATOM 842 CD GLU A 55 5.990 1.763 -13.813 1.00 0.00 C ATOM 843 OE1 GLU A 55 6.013 1.849 -15.059 1.00 0.00 O ATOM 844 OE2 GLU A 55 4.937 1.626 -13.156 1.00 0.00 O ATOM 0 H GLU A 55 8.947 1.565 -10.722 1.00 0.00 H new ATOM 0 HA GLU A 55 8.768 4.434 -11.291 1.00 0.00 H new ATOM 0 HB2 GLU A 55 6.886 3.925 -12.910 1.00 0.00 H new ATOM 0 HB3 GLU A 55 8.496 3.554 -13.496 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.078 1.333 -13.644 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.210 1.286 -12.122 1.00 0.00 H new ATOM 851 N ARG A 56 6.328 4.434 -10.342 1.00 0.00 N ATOM 852 CA ARG A 56 5.197 4.518 -9.424 1.00 0.00 C ATOM 853 C ARG A 56 3.884 4.620 -10.194 1.00 0.00 C ATOM 854 O ARG A 56 3.879 4.912 -11.391 1.00 0.00 O ATOM 855 CB ARG A 56 5.351 5.724 -8.492 1.00 0.00 C ATOM 856 CG ARG A 56 6.023 6.922 -9.144 1.00 0.00 C ATOM 857 CD ARG A 56 5.562 8.230 -8.519 1.00 0.00 C ATOM 858 NE ARG A 56 6.205 9.386 -9.138 1.00 0.00 N ATOM 859 CZ ARG A 56 5.706 10.621 -9.103 1.00 0.00 C ATOM 860 NH1 ARG A 56 4.560 10.864 -8.481 1.00 0.00 N ATOM 861 NH2 ARG A 56 6.356 11.614 -9.693 1.00 0.00 N ATOM 0 H ARG A 56 6.415 5.231 -10.973 1.00 0.00 H new ATOM 0 HA ARG A 56 5.180 3.608 -8.824 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.366 6.022 -8.134 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.931 5.425 -7.619 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.105 6.832 -9.045 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.800 6.929 -10.211 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.480 8.319 -8.620 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.783 8.220 -7.452 1.00 0.00 H new ATOM 0 HE ARG A 56 7.089 9.239 -9.626 1.00 0.00 H new ATOM 0 HH11 ARG A 56 4.055 10.103 -8.026 1.00 0.00 H new ATOM 0 HH12 ARG A 56 4.183 11.812 -8.458 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.237 11.432 -10.173 1.00 0.00 H new ATOM 0 HH22 ARG A 56 5.975 12.560 -9.667 1.00 0.00 H new ATOM 875 N GLN A 57 2.772 4.381 -9.506 1.00 0.00 N ATOM 876 CA GLN A 57 1.457 4.450 -10.139 1.00 0.00 C ATOM 877 C GLN A 57 0.444 5.162 -9.251 1.00 0.00 C ATOM 878 O GLN A 57 0.645 5.317 -8.048 1.00 0.00 O ATOM 879 CB GLN A 57 0.932 3.046 -10.476 1.00 0.00 C ATOM 880 CG GLN A 57 1.850 2.257 -11.395 1.00 0.00 C ATOM 881 CD GLN A 57 1.464 2.387 -12.855 1.00 0.00 C ATOM 882 OE1 GLN A 57 0.834 1.497 -13.425 1.00 0.00 O ATOM 883 NE2 GLN A 57 1.845 3.501 -13.471 1.00 0.00 N ATOM 0 H GLN A 57 2.753 4.139 -8.515 1.00 0.00 H new ATOM 0 HA GLN A 57 1.580 5.021 -11.060 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.792 2.488 -9.550 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.048 3.137 -10.945 1.00 0.00 H new ATOM 0 HG2 GLN A 57 2.875 2.602 -11.262 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.828 1.205 -11.109 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.366 4.214 -12.960 1.00 0.00 H new ATOM 0 HE22 GLN A 57 1.616 3.644 -14.455 1.00 0.00 H new ATOM 892 N SER A 58 -0.658 5.563 -9.866 1.00 0.00 N ATOM 893 CA SER A 58 -1.743 6.226 -9.176 1.00 0.00 C ATOM 894 C SER A 58 -3.038 5.881 -9.894 1.00 0.00 C ATOM 895 O SER A 58 -3.335 6.421 -10.959 1.00 0.00 O ATOM 896 CB SER A 58 -1.530 7.741 -9.153 1.00 0.00 C ATOM 897 OG SER A 58 -2.714 8.418 -8.769 1.00 0.00 O ATOM 0 H SER A 58 -0.821 5.435 -10.865 1.00 0.00 H new ATOM 0 HA SER A 58 -1.785 5.888 -8.141 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.726 7.988 -8.460 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.216 8.082 -10.140 1.00 0.00 H new ATOM 0 HG SER A 58 -2.550 9.384 -8.761 1.00 0.00 H new ATOM 903 N ILE A 59 -3.787 4.958 -9.318 1.00 0.00 N ATOM 904 CA ILE A 59 -5.039 4.508 -9.918 1.00 0.00 C ATOM 905 C ILE A 59 -6.214 5.334 -9.424 1.00 0.00 C ATOM 906 O ILE A 59 -6.676 5.171 -8.296 1.00 0.00 O ATOM 907 CB ILE A 59 -5.308 3.008 -9.643 1.00 0.00 C ATOM 908 CG1 ILE A 59 -4.368 2.487 -8.562 1.00 0.00 C ATOM 909 CG2 ILE A 59 -5.143 2.195 -10.916 1.00 0.00 C ATOM 910 CD1 ILE A 59 -4.681 1.088 -8.102 1.00 0.00 C ATOM 0 H ILE A 59 -3.554 4.503 -8.435 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.934 4.645 -10.994 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.335 2.903 -9.293 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.346 2.514 -8.939 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.409 3.158 -7.704 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.336 1.143 -10.704 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.849 2.549 -11.668 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.126 2.309 -11.291 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.968 0.790 -7.333 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.691 1.057 -7.693 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.611 0.403 -8.947 1.00 0.00 H new ATOM 922 N GLU A 60 -6.691 6.218 -10.287 1.00 0.00 N ATOM 923 CA GLU A 60 -7.818 7.081 -9.959 1.00 0.00 C ATOM 924 C GLU A 60 -9.112 6.501 -10.514 1.00 0.00 C ATOM 925 O GLU A 60 -9.338 6.504 -11.724 1.00 0.00 O ATOM 926 CB GLU A 60 -7.592 8.487 -10.520 1.00 0.00 C ATOM 927 CG GLU A 60 -8.379 9.565 -9.793 1.00 0.00 C ATOM 928 CD GLU A 60 -8.154 10.945 -10.379 1.00 0.00 C ATOM 929 OE1 GLU A 60 -6.989 11.282 -10.674 1.00 0.00 O ATOM 930 OE2 GLU A 60 -9.145 11.689 -10.541 1.00 0.00 O ATOM 0 H GLU A 60 -6.314 6.358 -11.224 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.899 7.143 -8.874 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.530 8.725 -10.465 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.867 8.497 -11.575 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.441 9.325 -9.835 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.095 9.570 -8.741 1.00 0.00 H new ATOM 937 N GLU A 61 -9.958 6.002 -9.622 1.00 0.00 N ATOM 938 CA GLU A 61 -11.231 5.414 -10.022 1.00 0.00 C ATOM 939 C GLU A 61 -12.394 6.220 -9.461 1.00 0.00 C ATOM 940 O GLU A 61 -12.199 7.132 -8.657 1.00 0.00 O ATOM 941 CB GLU A 61 -11.318 3.962 -9.545 1.00 0.00 C ATOM 942 CG GLU A 61 -11.884 3.010 -10.586 1.00 0.00 C ATOM 943 CD GLU A 61 -12.279 1.671 -9.996 1.00 0.00 C ATOM 944 OE1 GLU A 61 -13.007 1.660 -8.981 1.00 0.00 O ATOM 945 OE2 GLU A 61 -11.861 0.633 -10.550 1.00 0.00 O ATOM 0 H GLU A 61 -9.786 5.992 -8.617 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.290 5.432 -11.110 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.323 3.623 -9.258 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.939 3.919 -8.650 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.755 3.467 -11.056 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.144 2.853 -11.371 1.00 0.00 H new ATOM 952 N GLY A 62 -13.606 5.878 -9.883 1.00 0.00 N ATOM 953 CA GLY A 62 -14.782 6.579 -9.403 1.00 0.00 C ATOM 954 C GLY A 62 -15.142 6.188 -7.984 1.00 0.00 C ATOM 955 O GLY A 62 -16.269 5.772 -7.714 1.00 0.00 O ATOM 0 H GLY A 62 -13.795 5.128 -10.548 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -14.606 7.654 -9.448 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.624 6.366 -10.062 1.00 0.00 H new ATOM 959 N ASN A 63 -14.181 6.318 -7.076 1.00 0.00 N ATOM 960 CA ASN A 63 -14.398 5.973 -5.678 1.00 0.00 C ATOM 961 C ASN A 63 -13.199 6.374 -4.825 1.00 0.00 C ATOM 962 O ASN A 63 -13.356 6.952 -3.750 1.00 0.00 O ATOM 963 CB ASN A 63 -14.670 4.473 -5.539 1.00 0.00 C ATOM 964 CG ASN A 63 -16.042 4.185 -4.962 1.00 0.00 C ATOM 965 OD1 ASN A 63 -16.800 3.379 -5.502 1.00 0.00 O ATOM 966 ND2 ASN A 63 -16.370 4.846 -3.857 1.00 0.00 N ATOM 0 H ASN A 63 -13.243 6.660 -7.285 1.00 0.00 H new ATOM 0 HA ASN A 63 -15.268 6.524 -5.322 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -14.583 3.999 -6.517 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -13.909 4.026 -4.899 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -17.281 4.694 -3.423 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -15.711 5.505 -3.442 1.00 0.00 H new ATOM 973 N TYR A 64 -11.998 6.067 -5.309 1.00 0.00 N ATOM 974 CA TYR A 64 -10.777 6.403 -4.580 1.00 0.00 C ATOM 975 C TYR A 64 -9.534 6.244 -5.450 1.00 0.00 C ATOM 976 O TYR A 64 -9.616 5.898 -6.629 1.00 0.00 O ATOM 977 CB TYR A 64 -10.649 5.540 -3.322 1.00 0.00 C ATOM 978 CG TYR A 64 -11.021 4.088 -3.527 1.00 0.00 C ATOM 979 CD1 TYR A 64 -10.130 3.196 -4.110 1.00 0.00 C ATOM 980 CD2 TYR A 64 -12.263 3.609 -3.129 1.00 0.00 C ATOM 981 CE1 TYR A 64 -10.466 1.867 -4.293 1.00 0.00 C ATOM 982 CE2 TYR A 64 -12.606 2.282 -3.307 1.00 0.00 C ATOM 983 CZ TYR A 64 -11.705 1.416 -3.890 1.00 0.00 C ATOM 984 OH TYR A 64 -12.042 0.094 -4.069 1.00 0.00 O ATOM 0 H TYR A 64 -11.844 5.589 -6.197 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.850 7.451 -4.291 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -9.622 5.593 -2.961 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.283 5.959 -2.541 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -9.158 3.546 -4.426 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -12.972 4.284 -2.673 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -9.762 1.187 -4.749 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -13.575 1.925 -2.991 1.00 0.00 H new ATOM 0 HH TYR A 64 -12.133 -0.094 -5.027 1.00 0.00 H new ATOM 994 N ILE A 65 -8.383 6.512 -4.844 1.00 0.00 N ATOM 995 CA ILE A 65 -7.096 6.421 -5.523 1.00 0.00 C ATOM 996 C ILE A 65 -6.298 5.217 -5.034 1.00 0.00 C ATOM 997 O ILE A 65 -6.528 4.708 -3.939 1.00 0.00 O ATOM 998 CB ILE A 65 -6.246 7.693 -5.273 1.00 0.00 C ATOM 999 CG1 ILE A 65 -6.730 8.851 -6.140 1.00 0.00 C ATOM 1000 CG2 ILE A 65 -4.762 7.432 -5.531 1.00 0.00 C ATOM 1001 CD1 ILE A 65 -5.804 10.045 -6.088 1.00 0.00 C ATOM 0 H ILE A 65 -8.316 6.799 -3.867 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.308 6.316 -6.587 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.369 7.964 -4.224 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.823 8.513 -7.172 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.725 9.153 -5.813 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.195 8.344 -5.346 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.410 6.645 -4.865 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.622 7.121 -6.566 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.198 10.839 -6.723 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.731 10.404 -5.062 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.815 9.754 -6.442 1.00 0.00 H new ATOM 1013 N GLY A 66 -5.332 4.800 -5.846 1.00 0.00 N ATOM 1014 CA GLY A 66 -4.476 3.693 -5.481 1.00 0.00 C ATOM 1015 C GLY A 66 -3.031 3.956 -5.844 1.00 0.00 C ATOM 1016 O GLY A 66 -2.512 3.413 -6.819 1.00 0.00 O ATOM 0 H GLY A 66 -5.128 5.214 -6.756 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.554 3.511 -4.409 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.818 2.788 -5.983 1.00 0.00 H new ATOM 1020 N HIS A 67 -2.382 4.806 -5.058 1.00 0.00 N ATOM 1021 CA HIS A 67 -0.992 5.161 -5.296 1.00 0.00 C ATOM 1022 C HIS A 67 -0.098 3.920 -5.324 1.00 0.00 C ATOM 1023 O HIS A 67 -0.481 2.854 -4.842 1.00 0.00 O ATOM 1024 CB HIS A 67 -0.502 6.138 -4.228 1.00 0.00 C ATOM 1025 CG HIS A 67 -1.342 7.372 -4.119 1.00 0.00 C ATOM 1026 ND1 HIS A 67 -1.202 8.456 -4.960 1.00 0.00 N ATOM 1027 CD2 HIS A 67 -2.341 7.689 -3.264 1.00 0.00 C ATOM 1028 CE1 HIS A 67 -2.079 9.386 -4.626 1.00 0.00 C ATOM 1029 NE2 HIS A 67 -2.782 8.945 -3.599 1.00 0.00 N ATOM 0 H HIS A 67 -2.800 5.263 -4.247 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.933 5.642 -6.272 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.487 5.632 -3.263 1.00 0.00 H new ATOM 0 HB3 HIS A 67 0.525 6.426 -4.453 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -2.721 7.069 -2.466 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.200 10.344 -5.110 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -3.531 9.455 -3.131 1.00 0.00 H new ATOM 1038 N VAL A 68 1.094 4.068 -5.898 1.00 0.00 N ATOM 1039 CA VAL A 68 2.046 2.966 -6.003 1.00 0.00 C ATOM 1040 C VAL A 68 3.478 3.494 -6.041 1.00 0.00 C ATOM 1041 O VAL A 68 3.741 4.547 -6.620 1.00 0.00 O ATOM 1042 CB VAL A 68 1.757 2.116 -7.271 1.00 0.00 C ATOM 1043 CG1 VAL A 68 3.009 1.792 -8.072 1.00 0.00 C ATOM 1044 CG2 VAL A 68 1.057 0.825 -6.913 1.00 0.00 C ATOM 0 H VAL A 68 1.424 4.946 -6.299 1.00 0.00 H new ATOM 0 HA VAL A 68 1.932 2.333 -5.123 1.00 0.00 H new ATOM 0 HB VAL A 68 1.110 2.732 -7.895 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.739 1.197 -8.944 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.483 2.718 -8.397 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.704 1.229 -7.449 1.00 0.00 H new ATOM 0 HG21 VAL A 68 0.867 0.250 -7.820 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.688 0.244 -6.240 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.111 1.049 -6.421 1.00 0.00 H new ATOM 1054 N TYR A 69 4.401 2.749 -5.444 1.00 0.00 N ATOM 1055 CA TYR A 69 5.804 3.145 -5.439 1.00 0.00 C ATOM 1056 C TYR A 69 6.713 1.925 -5.426 1.00 0.00 C ATOM 1057 O TYR A 69 6.740 1.164 -4.457 1.00 0.00 O ATOM 1058 CB TYR A 69 6.113 4.041 -4.243 1.00 0.00 C ATOM 1059 CG TYR A 69 5.728 5.488 -4.459 1.00 0.00 C ATOM 1060 CD1 TYR A 69 4.406 5.902 -4.351 1.00 0.00 C ATOM 1061 CD2 TYR A 69 6.689 6.440 -4.776 1.00 0.00 C ATOM 1062 CE1 TYR A 69 4.053 7.223 -4.551 1.00 0.00 C ATOM 1063 CE2 TYR A 69 6.344 7.761 -4.977 1.00 0.00 C ATOM 1064 CZ TYR A 69 5.025 8.148 -4.864 1.00 0.00 C ATOM 1065 OH TYR A 69 4.679 9.464 -5.065 1.00 0.00 O ATOM 0 H TYR A 69 4.205 1.873 -4.960 1.00 0.00 H new ATOM 0 HA TYR A 69 5.992 3.708 -6.353 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.587 3.660 -3.368 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.179 3.986 -4.023 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.642 5.179 -4.107 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.723 6.141 -4.867 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.021 7.529 -4.462 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.104 8.489 -5.222 1.00 0.00 H new ATOM 0 HH TYR A 69 5.478 10.027 -4.990 1.00 0.00 H new ATOM 1075 N ALA A 70 7.456 1.745 -6.510 1.00 0.00 N ATOM 1076 CA ALA A 70 8.369 0.617 -6.629 1.00 0.00 C ATOM 1077 C ALA A 70 9.819 1.062 -6.478 1.00 0.00 C ATOM 1078 O ALA A 70 10.157 2.217 -6.741 1.00 0.00 O ATOM 1079 CB ALA A 70 8.166 -0.083 -7.961 1.00 0.00 C ATOM 0 H ALA A 70 7.444 2.366 -7.319 1.00 0.00 H new ATOM 0 HA ALA A 70 8.149 -0.083 -5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.854 -0.925 -8.038 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.140 -0.446 -8.029 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.357 0.618 -8.773 1.00 0.00 H new ATOM 1085 N ARG A 71 10.675 0.135 -6.057 1.00 0.00 N ATOM 1086 CA ARG A 71 12.091 0.428 -5.873 1.00 0.00 C ATOM 1087 C ARG A 71 12.910 -0.107 -7.044 1.00 0.00 C ATOM 1088 O ARG A 71 12.362 -0.676 -7.989 1.00 0.00 O ATOM 1089 CB ARG A 71 12.593 -0.178 -4.559 1.00 0.00 C ATOM 1090 CG ARG A 71 12.857 0.856 -3.476 1.00 0.00 C ATOM 1091 CD ARG A 71 14.256 1.441 -3.592 1.00 0.00 C ATOM 1092 NE ARG A 71 14.245 2.781 -4.174 1.00 0.00 N ATOM 1093 CZ ARG A 71 13.936 3.882 -3.493 1.00 0.00 C ATOM 1094 NH1 ARG A 71 13.617 3.809 -2.207 1.00 0.00 N ATOM 1095 NH2 ARG A 71 13.948 5.062 -4.099 1.00 0.00 N ATOM 0 H ARG A 71 10.411 -0.826 -5.837 1.00 0.00 H new ATOM 0 HA ARG A 71 12.213 1.510 -5.832 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.857 -0.895 -4.194 1.00 0.00 H new ATOM 0 HB3 ARG A 71 13.511 -0.733 -4.752 1.00 0.00 H new ATOM 0 HG2 ARG A 71 12.120 1.656 -3.548 1.00 0.00 H new ATOM 0 HG3 ARG A 71 12.734 0.397 -2.495 1.00 0.00 H new ATOM 0 HD2 ARG A 71 14.716 1.479 -2.604 1.00 0.00 H new ATOM 0 HD3 ARG A 71 14.873 0.785 -4.206 1.00 0.00 H new ATOM 0 HE ARG A 71 14.488 2.878 -5.160 1.00 0.00 H new ATOM 0 HH11 ARG A 71 13.608 2.905 -1.734 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.381 4.657 -1.691 1.00 0.00 H new ATOM 0 HH21 ARG A 71 14.194 5.126 -5.087 1.00 0.00 H new ATOM 0 HH22 ARG A 71 13.711 5.906 -3.577 1.00 0.00 H new ATOM 1109 N SER A 72 14.225 0.077 -6.975 1.00 0.00 N ATOM 1110 CA SER A 72 15.118 -0.387 -8.031 1.00 0.00 C ATOM 1111 C SER A 72 15.719 -1.745 -7.682 1.00 0.00 C ATOM 1112 O SER A 72 16.866 -2.032 -8.024 1.00 0.00 O ATOM 1113 CB SER A 72 16.235 0.632 -8.267 1.00 0.00 C ATOM 1114 OG SER A 72 16.611 1.265 -7.056 1.00 0.00 O ATOM 0 H SER A 72 14.695 0.544 -6.200 1.00 0.00 H new ATOM 0 HA SER A 72 14.533 -0.494 -8.944 1.00 0.00 H new ATOM 0 HB2 SER A 72 17.100 0.134 -8.704 1.00 0.00 H new ATOM 0 HB3 SER A 72 15.902 1.382 -8.985 1.00 0.00 H new ATOM 0 HG SER A 72 17.327 1.910 -7.233 1.00 0.00 H new ATOM 1120 N GLU A 73 14.939 -2.579 -7.000 1.00 0.00 N ATOM 1121 CA GLU A 73 15.399 -3.907 -6.608 1.00 0.00 C ATOM 1122 C GLU A 73 14.537 -4.995 -7.243 1.00 0.00 C ATOM 1123 O GLU A 73 15.054 -5.972 -7.783 1.00 0.00 O ATOM 1124 CB GLU A 73 15.376 -4.046 -5.085 1.00 0.00 C ATOM 1125 CG GLU A 73 16.671 -3.615 -4.415 1.00 0.00 C ATOM 1126 CD GLU A 73 17.765 -4.657 -4.538 1.00 0.00 C ATOM 1127 OE1 GLU A 73 18.136 -4.996 -5.682 1.00 0.00 O ATOM 1128 OE2 GLU A 73 18.251 -5.133 -3.491 1.00 0.00 O ATOM 0 H GLU A 73 13.987 -2.359 -6.708 1.00 0.00 H new ATOM 0 HA GLU A 73 16.422 -4.029 -6.964 1.00 0.00 H new ATOM 0 HB2 GLU A 73 14.555 -3.450 -4.686 1.00 0.00 H new ATOM 0 HB3 GLU A 73 15.171 -5.085 -4.826 1.00 0.00 H new ATOM 0 HG2 GLU A 73 17.013 -2.680 -4.860 1.00 0.00 H new ATOM 0 HG3 GLU A 73 16.481 -3.415 -3.360 1.00 0.00 H new ATOM 1135 N GLY A 74 13.221 -4.819 -7.174 1.00 0.00 N ATOM 1136 CA GLY A 74 12.310 -5.794 -7.746 1.00 0.00 C ATOM 1137 C GLY A 74 11.024 -5.929 -6.952 1.00 0.00 C ATOM 1138 O GLY A 74 10.026 -6.442 -7.458 1.00 0.00 O ATOM 0 H GLY A 74 12.769 -4.018 -6.732 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.072 -5.506 -8.770 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.806 -6.764 -7.795 1.00 0.00 H new ATOM 1142 N ILE A 75 11.047 -5.466 -5.706 1.00 0.00 N ATOM 1143 CA ILE A 75 9.873 -5.534 -4.839 1.00 0.00 C ATOM 1144 C ILE A 75 9.285 -4.139 -4.629 1.00 0.00 C ATOM 1145 O ILE A 75 9.975 -3.223 -4.184 1.00 0.00 O ATOM 1146 CB ILE A 75 10.211 -6.207 -3.474 1.00 0.00 C ATOM 1147 CG1 ILE A 75 9.325 -5.674 -2.334 1.00 0.00 C ATOM 1148 CG2 ILE A 75 11.684 -6.027 -3.129 1.00 0.00 C ATOM 1149 CD1 ILE A 75 9.830 -6.019 -0.946 1.00 0.00 C ATOM 0 H ILE A 75 11.866 -5.039 -5.273 1.00 0.00 H new ATOM 0 HA ILE A 75 9.125 -6.155 -5.333 1.00 0.00 H new ATOM 0 HB ILE A 75 10.004 -7.272 -3.583 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.250 -4.590 -2.423 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.318 -6.074 -2.453 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.895 -6.505 -2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.298 -6.483 -3.906 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.915 -4.964 -3.062 1.00 0.00 H new ATOM 0 HD11 ILE A 75 9.151 -5.608 -0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.878 -7.102 -0.835 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.824 -5.595 -0.805 1.00 0.00 H new ATOM 1161 N CYS A 76 8.006 -3.986 -4.966 1.00 0.00 N ATOM 1162 CA CYS A 76 7.324 -2.704 -4.829 1.00 0.00 C ATOM 1163 C CYS A 76 6.137 -2.800 -3.875 1.00 0.00 C ATOM 1164 O CYS A 76 5.611 -3.885 -3.630 1.00 0.00 O ATOM 1165 CB CYS A 76 6.853 -2.215 -6.200 1.00 0.00 C ATOM 1166 SG CYS A 76 5.515 -3.197 -6.920 1.00 0.00 S ATOM 0 H CYS A 76 7.422 -4.736 -5.336 1.00 0.00 H new ATOM 0 HA CYS A 76 8.033 -1.990 -4.410 1.00 0.00 H new ATOM 0 HB2 CYS A 76 6.521 -1.181 -6.110 1.00 0.00 H new ATOM 0 HB3 CYS A 76 7.701 -2.219 -6.885 1.00 0.00 H new ATOM 0 HG CYS A 76 5.349 -4.282 -6.223 1.00 0.00 H new ATOM 1172 N GLY A 77 5.715 -1.652 -3.350 1.00 0.00 N ATOM 1173 CA GLY A 77 4.584 -1.621 -2.438 1.00 0.00 C ATOM 1174 C GLY A 77 3.452 -0.771 -2.976 1.00 0.00 C ATOM 1175 O GLY A 77 3.658 0.022 -3.898 1.00 0.00 O ATOM 0 H GLY A 77 6.136 -0.743 -3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 77 4.227 -2.637 -2.267 1.00 0.00 H new ATOM 0 HA3 GLY A 77 4.906 -1.230 -1.473 1.00 0.00 H new ATOM 1179 N VAL A 78 2.249 -0.926 -2.420 1.00 0.00 N ATOM 1180 CA VAL A 78 1.113 -0.145 -2.897 1.00 0.00 C ATOM 1181 C VAL A 78 0.430 0.636 -1.776 1.00 0.00 C ATOM 1182 O VAL A 78 0.404 0.209 -0.619 1.00 0.00 O ATOM 1183 CB VAL A 78 0.068 -1.028 -3.613 1.00 0.00 C ATOM 1184 CG1 VAL A 78 -1.062 -0.194 -4.196 1.00 0.00 C ATOM 1185 CG2 VAL A 78 0.735 -1.871 -4.690 1.00 0.00 C ATOM 0 H VAL A 78 2.041 -1.570 -1.657 1.00 0.00 H new ATOM 0 HA VAL A 78 1.526 0.568 -3.611 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.371 -1.696 -2.872 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.779 -0.848 -4.692 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.562 0.351 -3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.656 0.514 -4.919 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.015 -2.488 -5.186 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.209 -1.217 -5.422 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.489 -2.513 -4.235 1.00 0.00 H new ATOM 1195 N LEU A 79 -0.124 1.787 -2.149 1.00 0.00 N ATOM 1196 CA LEU A 79 -0.821 2.664 -1.217 1.00 0.00 C ATOM 1197 C LEU A 79 -2.141 3.137 -1.822 1.00 0.00 C ATOM 1198 O LEU A 79 -2.145 3.956 -2.739 1.00 0.00 O ATOM 1199 CB LEU A 79 0.063 3.866 -0.897 1.00 0.00 C ATOM 1200 CG LEU A 79 -0.086 4.429 0.513 1.00 0.00 C ATOM 1201 CD1 LEU A 79 0.784 5.665 0.693 1.00 0.00 C ATOM 1202 CD2 LEU A 79 -1.543 4.764 0.792 1.00 0.00 C ATOM 0 H LEU A 79 -0.101 2.137 -3.107 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.035 2.114 -0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.104 3.581 -1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.157 4.659 -1.612 1.00 0.00 H new ATOM 0 HG LEU A 79 0.244 3.672 1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.663 6.051 1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.829 5.402 0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.484 6.429 -0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.637 5.165 1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.890 5.506 0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.147 3.861 0.702 1.00 0.00 H new ATOM 1214 N ILE A 80 -3.259 2.619 -1.319 1.00 0.00 N ATOM 1215 CA ILE A 80 -4.571 3.003 -1.844 1.00 0.00 C ATOM 1216 C ILE A 80 -5.334 3.896 -0.869 1.00 0.00 C ATOM 1217 O ILE A 80 -5.665 3.485 0.243 1.00 0.00 O ATOM 1218 CB ILE A 80 -5.450 1.769 -2.203 1.00 0.00 C ATOM 1219 CG1 ILE A 80 -4.813 0.471 -1.714 1.00 0.00 C ATOM 1220 CG2 ILE A 80 -5.688 1.694 -3.705 1.00 0.00 C ATOM 1221 CD1 ILE A 80 -3.577 0.070 -2.489 1.00 0.00 C ATOM 0 H ILE A 80 -3.286 1.940 -0.558 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.370 3.563 -2.758 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.408 1.893 -1.698 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.552 0.579 -0.661 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.548 -0.331 -1.779 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.304 0.824 -3.933 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.198 2.598 -4.038 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.732 1.606 -4.221 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.180 -0.861 -2.085 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.835 -0.071 -3.538 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.824 0.853 -2.403 1.00 0.00 H new ATOM 1233 N THR A 81 -5.623 5.120 -1.310 1.00 0.00 N ATOM 1234 CA THR A 81 -6.364 6.083 -0.497 1.00 0.00 C ATOM 1235 C THR A 81 -7.293 6.915 -1.374 1.00 0.00 C ATOM 1236 O THR A 81 -7.309 6.754 -2.589 1.00 0.00 O ATOM 1237 CB THR A 81 -5.413 6.989 0.294 1.00 0.00 C ATOM 1238 OG1 THR A 81 -6.041 8.212 0.633 1.00 0.00 O ATOM 1239 CG2 THR A 81 -4.141 7.320 -0.443 1.00 0.00 C ATOM 0 H THR A 81 -5.354 5.469 -2.230 1.00 0.00 H new ATOM 0 HA THR A 81 -6.967 5.526 0.220 1.00 0.00 H new ATOM 0 HB THR A 81 -5.157 6.416 1.185 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.530 8.657 1.341 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.518 7.964 0.178 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.601 6.400 -0.668 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.383 7.836 -1.372 1.00 0.00 H new ATOM 1247 N ASP A 82 -8.075 7.794 -0.751 1.00 0.00 N ATOM 1248 CA ASP A 82 -9.020 8.635 -1.478 1.00 0.00 C ATOM 1249 C ASP A 82 -8.310 9.655 -2.359 1.00 0.00 C ATOM 1250 O ASP A 82 -7.107 9.881 -2.224 1.00 0.00 O ATOM 1251 CB ASP A 82 -9.945 9.354 -0.494 1.00 0.00 C ATOM 1252 CG ASP A 82 -11.230 9.823 -1.147 1.00 0.00 C ATOM 1253 OD1 ASP A 82 -11.192 10.840 -1.871 1.00 0.00 O ATOM 1254 OD2 ASP A 82 -12.276 9.174 -0.934 1.00 0.00 O ATOM 0 H ASP A 82 -8.072 7.942 0.258 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.607 7.986 -2.127 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.184 8.684 0.332 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -9.423 10.211 -0.069 1.00 0.00 H new ATOM 1259 N LYS A 83 -9.070 10.271 -3.262 1.00 0.00 N ATOM 1260 CA LYS A 83 -8.524 11.272 -4.171 1.00 0.00 C ATOM 1261 C LYS A 83 -7.992 12.479 -3.399 1.00 0.00 C ATOM 1262 O LYS A 83 -7.194 13.256 -3.921 1.00 0.00 O ATOM 1263 CB LYS A 83 -9.592 11.720 -5.173 1.00 0.00 C ATOM 1264 CG LYS A 83 -9.117 11.699 -6.617 1.00 0.00 C ATOM 1265 CD LYS A 83 -9.928 12.649 -7.485 1.00 0.00 C ATOM 1266 CE LYS A 83 -9.159 13.924 -7.791 1.00 0.00 C ATOM 1267 NZ LYS A 83 -9.980 15.142 -7.545 1.00 0.00 N ATOM 0 H LYS A 83 -10.067 10.093 -3.382 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.695 10.819 -4.714 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -10.464 11.073 -5.076 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.915 12.730 -4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.064 11.976 -6.659 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.196 10.686 -7.012 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.195 12.152 -8.418 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.860 12.899 -6.979 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.260 13.962 -7.176 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -8.833 13.910 -8.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -9.419 15.989 -7.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -10.825 15.119 -8.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.270 15.169 -6.547 1.00 0.00 H new ATOM 1281 N GLN A 84 -8.428 12.622 -2.148 1.00 0.00 N ATOM 1282 CA GLN A 84 -7.981 13.725 -1.304 1.00 0.00 C ATOM 1283 C GLN A 84 -6.710 13.340 -0.549 1.00 0.00 C ATOM 1284 O GLN A 84 -6.438 13.849 0.538 1.00 0.00 O ATOM 1285 CB GLN A 84 -9.080 14.118 -0.315 1.00 0.00 C ATOM 1286 CG GLN A 84 -10.153 15.007 -0.922 1.00 0.00 C ATOM 1287 CD GLN A 84 -9.801 16.481 -0.845 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -9.830 17.082 0.229 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -9.466 17.069 -1.988 1.00 0.00 N ATOM 0 H GLN A 84 -9.089 11.988 -1.699 1.00 0.00 H new ATOM 0 HA GLN A 84 -7.762 14.580 -1.944 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -9.547 13.214 0.075 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.628 14.634 0.532 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.305 14.727 -1.965 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.097 14.835 -0.405 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -9.456 16.531 -2.854 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -9.219 18.059 -1.999 1.00 0.00 H new ATOM 1298 N TYR A 85 -5.938 12.438 -1.145 1.00 0.00 N ATOM 1299 CA TYR A 85 -4.696 11.964 -0.566 1.00 0.00 C ATOM 1300 C TYR A 85 -3.588 12.085 -1.605 1.00 0.00 C ATOM 1301 O TYR A 85 -3.201 11.102 -2.238 1.00 0.00 O ATOM 1302 CB TYR A 85 -4.863 10.511 -0.126 1.00 0.00 C ATOM 1303 CG TYR A 85 -3.779 9.996 0.794 1.00 0.00 C ATOM 1304 CD1 TYR A 85 -2.451 9.952 0.389 1.00 0.00 C ATOM 1305 CD2 TYR A 85 -4.092 9.525 2.063 1.00 0.00 C ATOM 1306 CE1 TYR A 85 -1.468 9.461 1.222 1.00 0.00 C ATOM 1307 CE2 TYR A 85 -3.113 9.027 2.902 1.00 0.00 C ATOM 1308 CZ TYR A 85 -1.802 8.999 2.475 1.00 0.00 C ATOM 1309 OH TYR A 85 -0.820 8.504 3.300 1.00 0.00 O ATOM 0 H TYR A 85 -6.161 12.016 -2.047 1.00 0.00 H new ATOM 0 HA TYR A 85 -4.434 12.563 0.306 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -5.825 10.407 0.376 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -4.896 9.879 -1.014 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -2.184 10.308 -0.595 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -5.118 9.548 2.400 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -0.440 9.439 0.893 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -3.373 8.662 3.885 1.00 0.00 H new ATOM 0 HH TYR A 85 0.048 8.870 3.031 1.00 0.00 H new ATOM 1319 N PRO A 86 -3.084 13.311 -1.814 1.00 0.00 N ATOM 1320 CA PRO A 86 -2.035 13.585 -2.796 1.00 0.00 C ATOM 1321 C PRO A 86 -0.939 12.524 -2.821 1.00 0.00 C ATOM 1322 O PRO A 86 -0.812 11.721 -1.896 1.00 0.00 O ATOM 1323 CB PRO A 86 -1.483 14.922 -2.325 1.00 0.00 C ATOM 1324 CG PRO A 86 -2.655 15.617 -1.722 1.00 0.00 C ATOM 1325 CD PRO A 86 -3.517 14.539 -1.117 1.00 0.00 C ATOM 0 HA PRO A 86 -2.420 13.589 -3.816 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.683 14.787 -1.597 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -1.066 15.494 -3.154 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -2.336 16.332 -0.963 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -3.206 16.178 -2.477 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.366 14.463 -0.040 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -4.577 14.737 -1.277 1.00 0.00 H new ATOM 1333 N VAL A 87 -0.158 12.525 -3.896 1.00 0.00 N ATOM 1334 CA VAL A 87 0.929 11.566 -4.065 1.00 0.00 C ATOM 1335 C VAL A 87 2.158 11.953 -3.248 1.00 0.00 C ATOM 1336 O VAL A 87 2.959 11.095 -2.875 1.00 0.00 O ATOM 1337 CB VAL A 87 1.347 11.440 -5.544 1.00 0.00 C ATOM 1338 CG1 VAL A 87 2.113 10.146 -5.772 1.00 0.00 C ATOM 1339 CG2 VAL A 87 0.134 11.521 -6.462 1.00 0.00 C ATOM 0 H VAL A 87 -0.258 13.184 -4.668 1.00 0.00 H new ATOM 0 HA VAL A 87 0.546 10.609 -3.710 1.00 0.00 H new ATOM 0 HB VAL A 87 2.005 12.275 -5.785 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.400 10.073 -6.821 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.008 10.138 -5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.481 9.298 -5.509 1.00 0.00 H new ATOM 0 HG21 VAL A 87 0.456 11.430 -7.499 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.557 10.712 -6.224 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.366 12.479 -6.320 1.00 0.00 H new ATOM 1349 N ARG A 88 2.316 13.248 -2.987 1.00 0.00 N ATOM 1350 CA ARG A 88 3.469 13.736 -2.231 1.00 0.00 C ATOM 1351 C ARG A 88 3.577 13.037 -0.879 1.00 0.00 C ATOM 1352 O ARG A 88 4.620 12.466 -0.558 1.00 0.00 O ATOM 1353 CB ARG A 88 3.404 15.256 -2.049 1.00 0.00 C ATOM 1354 CG ARG A 88 2.919 15.995 -3.288 1.00 0.00 C ATOM 1355 CD ARG A 88 3.974 16.948 -3.830 1.00 0.00 C ATOM 1356 NE ARG A 88 3.492 18.326 -3.886 1.00 0.00 N ATOM 1357 CZ ARG A 88 3.430 19.133 -2.830 1.00 0.00 C ATOM 1358 NH1 ARG A 88 3.816 18.704 -1.635 1.00 0.00 N ATOM 1359 NH2 ARG A 88 2.982 20.374 -2.970 1.00 0.00 N ATOM 0 H ARG A 88 1.666 13.975 -3.285 1.00 0.00 H new ATOM 0 HA ARG A 88 4.364 13.500 -2.806 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.741 15.486 -1.215 1.00 0.00 H new ATOM 0 HB3 ARG A 88 4.394 15.625 -1.780 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.651 15.273 -4.060 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.015 16.554 -3.047 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.863 16.900 -3.201 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.273 16.628 -4.828 1.00 0.00 H new ATOM 0 HE ARG A 88 3.185 18.691 -4.788 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.162 17.751 -1.523 1.00 0.00 H new ATOM 0 HH12 ARG A 88 3.766 19.327 -0.829 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.685 20.709 -3.887 1.00 0.00 H new ATOM 0 HH22 ARG A 88 2.934 20.993 -2.161 1.00 0.00 H new ATOM 1373 N PRO A 89 2.503 13.046 -0.070 1.00 0.00 N ATOM 1374 CA PRO A 89 2.510 12.382 1.232 1.00 0.00 C ATOM 1375 C PRO A 89 2.603 10.877 1.065 1.00 0.00 C ATOM 1376 O PRO A 89 3.284 10.197 1.833 1.00 0.00 O ATOM 1377 CB PRO A 89 1.172 12.783 1.872 1.00 0.00 C ATOM 1378 CG PRO A 89 0.640 13.891 1.022 1.00 0.00 C ATOM 1379 CD PRO A 89 1.203 13.669 -0.353 1.00 0.00 C ATOM 0 HA PRO A 89 3.364 12.672 1.845 1.00 0.00 H new ATOM 0 HB2 PRO A 89 0.481 11.941 1.897 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.312 13.111 2.902 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -0.450 13.879 1.003 1.00 0.00 H new ATOM 0 HG3 PRO A 89 0.941 14.862 1.414 1.00 0.00 H new ATOM 0 HD2 PRO A 89 0.565 13.020 -0.953 1.00 0.00 H new ATOM 0 HD3 PRO A 89 1.313 14.604 -0.902 1.00 0.00 H new ATOM 1387 N ALA A 90 1.954 10.365 0.025 1.00 0.00 N ATOM 1388 CA ALA A 90 2.016 8.946 -0.266 1.00 0.00 C ATOM 1389 C ALA A 90 3.450 8.600 -0.615 1.00 0.00 C ATOM 1390 O ALA A 90 3.911 7.484 -0.380 1.00 0.00 O ATOM 1391 CB ALA A 90 1.071 8.578 -1.401 1.00 0.00 C ATOM 0 H ALA A 90 1.385 10.910 -0.623 1.00 0.00 H new ATOM 0 HA ALA A 90 1.698 8.374 0.606 1.00 0.00 H new ATOM 0 HB1 ALA A 90 1.138 7.508 -1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.049 8.832 -1.120 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.348 9.130 -2.299 1.00 0.00 H new ATOM 1397 N TYR A 91 4.166 9.596 -1.135 1.00 0.00 N ATOM 1398 CA TYR A 91 5.565 9.429 -1.465 1.00 0.00 C ATOM 1399 C TYR A 91 6.336 9.257 -0.164 1.00 0.00 C ATOM 1400 O TYR A 91 7.183 8.370 -0.032 1.00 0.00 O ATOM 1401 CB TYR A 91 6.083 10.651 -2.233 1.00 0.00 C ATOM 1402 CG TYR A 91 7.286 10.370 -3.108 1.00 0.00 C ATOM 1403 CD1 TYR A 91 8.376 9.658 -2.622 1.00 0.00 C ATOM 1404 CD2 TYR A 91 7.332 10.824 -4.420 1.00 0.00 C ATOM 1405 CE1 TYR A 91 9.477 9.406 -3.419 1.00 0.00 C ATOM 1406 CE2 TYR A 91 8.430 10.575 -5.223 1.00 0.00 C ATOM 1407 CZ TYR A 91 9.498 9.867 -4.718 1.00 0.00 C ATOM 1408 OH TYR A 91 10.593 9.618 -5.515 1.00 0.00 O ATOM 0 H TYR A 91 3.793 10.524 -1.334 1.00 0.00 H new ATOM 0 HA TYR A 91 5.699 8.555 -2.102 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.279 11.043 -2.856 1.00 0.00 H new ATOM 0 HB3 TYR A 91 6.342 11.432 -1.518 1.00 0.00 H new ATOM 0 HD1 TYR A 91 8.363 9.296 -1.605 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.497 11.380 -4.819 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.316 8.851 -3.026 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.450 10.934 -6.241 1.00 0.00 H new ATOM 0 HH TYR A 91 10.448 10.010 -6.402 1.00 0.00 H new ATOM 1418 N THR A 92 6.000 10.102 0.812 1.00 0.00 N ATOM 1419 CA THR A 92 6.627 10.039 2.121 1.00 0.00 C ATOM 1420 C THR A 92 6.335 8.695 2.772 1.00 0.00 C ATOM 1421 O THR A 92 7.235 8.033 3.293 1.00 0.00 O ATOM 1422 CB THR A 92 6.111 11.168 3.011 1.00 0.00 C ATOM 1423 OG1 THR A 92 6.037 12.385 2.288 1.00 0.00 O ATOM 1424 CG2 THR A 92 6.973 11.408 4.231 1.00 0.00 C ATOM 0 H THR A 92 5.297 10.835 0.715 1.00 0.00 H new ATOM 0 HA THR A 92 7.704 10.152 1.998 1.00 0.00 H new ATOM 0 HB THR A 92 5.123 10.847 3.342 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.703 13.095 2.875 1.00 0.00 H new ATOM 0 HG21 THR A 92 6.551 12.222 4.820 1.00 0.00 H new ATOM 0 HG22 THR A 92 7.007 10.502 4.836 1.00 0.00 H new ATOM 0 HG23 THR A 92 7.983 11.673 3.917 1.00 0.00 H new ATOM 1432 N LEU A 93 5.066 8.293 2.731 1.00 0.00 N ATOM 1433 CA LEU A 93 4.657 7.024 3.310 1.00 0.00 C ATOM 1434 C LEU A 93 5.349 5.876 2.603 1.00 0.00 C ATOM 1435 O LEU A 93 5.895 4.976 3.243 1.00 0.00 O ATOM 1436 CB LEU A 93 3.138 6.843 3.235 1.00 0.00 C ATOM 1437 CG LEU A 93 2.589 5.634 4.002 1.00 0.00 C ATOM 1438 CD1 LEU A 93 1.078 5.727 4.141 1.00 0.00 C ATOM 1439 CD2 LEU A 93 2.979 4.334 3.312 1.00 0.00 C ATOM 0 H LEU A 93 4.310 8.828 2.304 1.00 0.00 H new ATOM 0 HA LEU A 93 4.949 7.027 4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 93 2.661 7.745 3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.850 6.751 2.188 1.00 0.00 H new ATOM 0 HG LEU A 93 3.028 5.639 4.999 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.709 4.860 4.688 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.818 6.636 4.684 1.00 0.00 H new ATOM 0 HD13 LEU A 93 0.622 5.752 3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.579 3.490 3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.572 4.323 2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.065 4.258 3.267 1.00 0.00 H new ATOM 1451 N LEU A 94 5.334 5.919 1.282 1.00 0.00 N ATOM 1452 CA LEU A 94 5.974 4.886 0.495 1.00 0.00 C ATOM 1453 C LEU A 94 7.486 4.959 0.661 1.00 0.00 C ATOM 1454 O LEU A 94 8.208 4.034 0.288 1.00 0.00 O ATOM 1455 CB LEU A 94 5.589 5.006 -0.976 1.00 0.00 C ATOM 1456 CG LEU A 94 4.389 4.154 -1.386 1.00 0.00 C ATOM 1457 CD1 LEU A 94 4.735 2.672 -1.312 1.00 0.00 C ATOM 1458 CD2 LEU A 94 3.191 4.469 -0.505 1.00 0.00 C ATOM 0 H LEU A 94 4.887 6.656 0.736 1.00 0.00 H new ATOM 0 HA LEU A 94 5.630 3.916 0.855 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.370 6.051 -1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.446 4.723 -1.587 1.00 0.00 H new ATOM 0 HG LEU A 94 4.131 4.393 -2.418 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.868 2.081 -1.607 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.566 2.458 -1.984 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.019 2.415 -0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.344 3.854 -0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.438 4.257 0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.930 5.522 -0.608 1.00 0.00 H new ATOM 1470 N ASN A 95 7.958 6.057 1.244 1.00 0.00 N ATOM 1471 CA ASN A 95 9.384 6.231 1.475 1.00 0.00 C ATOM 1472 C ASN A 95 9.818 5.388 2.664 1.00 0.00 C ATOM 1473 O ASN A 95 10.786 4.628 2.586 1.00 0.00 O ATOM 1474 CB ASN A 95 9.710 7.703 1.721 1.00 0.00 C ATOM 1475 CG ASN A 95 11.188 8.002 1.563 1.00 0.00 C ATOM 1476 OD1 ASN A 95 11.971 7.838 2.500 1.00 0.00 O ATOM 1477 ND2 ASN A 95 11.578 8.444 0.373 1.00 0.00 N ATOM 0 H ASN A 95 7.377 6.833 1.562 1.00 0.00 H new ATOM 0 HA ASN A 95 9.928 5.904 0.589 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.141 8.320 1.025 1.00 0.00 H new ATOM 0 HB3 ASN A 95 9.392 7.980 2.726 1.00 0.00 H new ATOM 0 HD21 ASN A 95 12.560 8.662 0.207 1.00 0.00 H new ATOM 0 HD22 ASN A 95 10.895 8.565 -0.375 1.00 0.00 H new ATOM 1484 N LYS A 96 9.083 5.519 3.761 1.00 0.00 N ATOM 1485 CA LYS A 96 9.375 4.764 4.969 1.00 0.00 C ATOM 1486 C LYS A 96 9.049 3.287 4.769 1.00 0.00 C ATOM 1487 O LYS A 96 9.818 2.420 5.168 1.00 0.00 O ATOM 1488 CB LYS A 96 8.583 5.322 6.153 1.00 0.00 C ATOM 1489 CG LYS A 96 9.111 6.652 6.665 1.00 0.00 C ATOM 1490 CD LYS A 96 10.444 6.485 7.377 1.00 0.00 C ATOM 1491 CE LYS A 96 11.249 7.774 7.362 1.00 0.00 C ATOM 1492 NZ LYS A 96 10.838 8.699 8.455 1.00 0.00 N ATOM 0 H LYS A 96 8.279 6.143 3.837 1.00 0.00 H new ATOM 0 HA LYS A 96 10.439 4.860 5.184 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.541 5.444 5.857 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.601 4.596 6.966 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.227 7.344 5.831 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.385 7.094 7.348 1.00 0.00 H new ATOM 0 HD2 LYS A 96 10.271 6.175 8.408 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.017 5.691 6.897 1.00 0.00 H new ATOM 0 HE2 LYS A 96 12.309 7.541 7.463 1.00 0.00 H new ATOM 0 HE3 LYS A 96 11.122 8.270 6.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 11.411 9.566 8.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.833 8.942 8.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.983 8.236 9.375 1.00 0.00 H new ATOM 1506 N ILE A 97 7.904 3.013 4.149 1.00 0.00 N ATOM 1507 CA ILE A 97 7.470 1.645 3.892 1.00 0.00 C ATOM 1508 C ILE A 97 8.514 0.871 3.087 1.00 0.00 C ATOM 1509 O ILE A 97 8.976 -0.188 3.506 1.00 0.00 O ATOM 1510 CB ILE A 97 6.110 1.653 3.161 1.00 0.00 C ATOM 1511 CG1 ILE A 97 5.328 0.379 3.415 1.00 0.00 C ATOM 1512 CG2 ILE A 97 6.261 1.866 1.663 1.00 0.00 C ATOM 1513 CD1 ILE A 97 3.988 0.407 2.729 1.00 0.00 C ATOM 0 H ILE A 97 7.257 3.727 3.814 1.00 0.00 H new ATOM 0 HA ILE A 97 7.354 1.137 4.849 1.00 0.00 H new ATOM 0 HB ILE A 97 5.555 2.496 3.572 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.901 -0.478 3.061 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.186 0.246 4.487 1.00 0.00 H new ATOM 0 HG21 ILE A 97 5.277 1.864 1.194 1.00 0.00 H new ATOM 0 HG22 ILE A 97 6.748 2.823 1.479 1.00 0.00 H new ATOM 0 HG23 ILE A 97 6.866 1.064 1.241 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.455 -0.522 2.933 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.405 1.249 3.103 1.00 0.00 H new ATOM 0 HD13 ILE A 97 4.132 0.514 1.654 1.00 0.00 H new ATOM 1525 N LEU A 98 8.890 1.408 1.934 1.00 0.00 N ATOM 1526 CA LEU A 98 9.886 0.765 1.085 1.00 0.00 C ATOM 1527 C LEU A 98 11.173 0.522 1.866 1.00 0.00 C ATOM 1528 O LEU A 98 11.686 -0.597 1.906 1.00 0.00 O ATOM 1529 CB LEU A 98 10.170 1.623 -0.149 1.00 0.00 C ATOM 1530 CG LEU A 98 9.397 1.222 -1.406 1.00 0.00 C ATOM 1531 CD1 LEU A 98 9.747 -0.200 -1.813 1.00 0.00 C ATOM 1532 CD2 LEU A 98 7.899 1.360 -1.179 1.00 0.00 C ATOM 0 H LEU A 98 8.522 2.285 1.565 1.00 0.00 H new ATOM 0 HA LEU A 98 9.491 -0.196 0.757 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.937 2.661 0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.237 1.578 -0.367 1.00 0.00 H new ATOM 0 HG LEU A 98 9.684 1.893 -2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 98 9.188 -0.470 -2.709 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.816 -0.267 -2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.488 -0.884 -1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.366 1.070 -2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.595 0.713 -0.356 1.00 0.00 H new ATOM 0 HD23 LEU A 98 7.662 2.395 -0.934 1.00 0.00 H new ATOM 1544 N ASP A 99 11.673 1.575 2.510 1.00 0.00 N ATOM 1545 CA ASP A 99 12.884 1.470 3.312 1.00 0.00 C ATOM 1546 C ASP A 99 12.628 0.557 4.500 1.00 0.00 C ATOM 1547 O ASP A 99 13.538 -0.091 5.019 1.00 0.00 O ATOM 1548 CB ASP A 99 13.331 2.854 3.791 1.00 0.00 C ATOM 1549 CG ASP A 99 14.683 3.251 3.230 1.00 0.00 C ATOM 1550 OD1 ASP A 99 15.697 2.649 3.645 1.00 0.00 O ATOM 1551 OD2 ASP A 99 14.728 4.161 2.376 1.00 0.00 O ATOM 0 H ASP A 99 11.258 2.506 2.491 1.00 0.00 H new ATOM 0 HA ASP A 99 13.681 1.048 2.700 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.587 3.595 3.498 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.376 2.862 4.880 1.00 0.00 H new ATOM 1556 N GLU A 100 11.368 0.510 4.911 1.00 0.00 N ATOM 1557 CA GLU A 100 10.948 -0.320 6.023 1.00 0.00 C ATOM 1558 C GLU A 100 10.940 -1.782 5.604 1.00 0.00 C ATOM 1559 O GLU A 100 11.259 -2.665 6.398 1.00 0.00 O ATOM 1560 CB GLU A 100 9.568 0.116 6.503 1.00 0.00 C ATOM 1561 CG GLU A 100 8.988 -0.772 7.591 1.00 0.00 C ATOM 1562 CD GLU A 100 9.772 -0.693 8.886 1.00 0.00 C ATOM 1563 OE1 GLU A 100 10.468 0.321 9.098 1.00 0.00 O ATOM 1564 OE2 GLU A 100 9.686 -1.645 9.690 1.00 0.00 O ATOM 0 H GLU A 100 10.613 1.046 4.482 1.00 0.00 H new ATOM 0 HA GLU A 100 11.651 -0.203 6.848 1.00 0.00 H new ATOM 0 HB2 GLU A 100 9.630 1.138 6.876 1.00 0.00 H new ATOM 0 HB3 GLU A 100 8.885 0.127 5.654 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.954 -0.483 7.778 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.972 -1.805 7.242 1.00 0.00 H new ATOM 1571 N TYR A 101 10.599 -2.029 4.342 1.00 0.00 N ATOM 1572 CA TYR A 101 10.589 -3.386 3.827 1.00 0.00 C ATOM 1573 C TYR A 101 12.015 -3.911 3.755 1.00 0.00 C ATOM 1574 O TYR A 101 12.261 -5.099 3.941 1.00 0.00 O ATOM 1575 CB TYR A 101 9.933 -3.460 2.449 1.00 0.00 C ATOM 1576 CG TYR A 101 9.330 -4.819 2.170 1.00 0.00 C ATOM 1577 CD1 TYR A 101 10.139 -5.940 2.034 1.00 0.00 C ATOM 1578 CD2 TYR A 101 7.955 -4.986 2.065 1.00 0.00 C ATOM 1579 CE1 TYR A 101 9.596 -7.189 1.801 1.00 0.00 C ATOM 1580 CE2 TYR A 101 7.405 -6.232 1.829 1.00 0.00 C ATOM 1581 CZ TYR A 101 8.229 -7.329 1.698 1.00 0.00 C ATOM 1582 OH TYR A 101 7.684 -8.571 1.470 1.00 0.00 O ATOM 0 H TYR A 101 10.330 -1.313 3.667 1.00 0.00 H new ATOM 0 HA TYR A 101 10.001 -4.004 4.506 1.00 0.00 H new ATOM 0 HB2 TYR A 101 9.156 -2.699 2.378 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.674 -3.230 1.684 1.00 0.00 H new ATOM 0 HD1 TYR A 101 11.211 -5.833 2.112 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.306 -4.129 2.169 1.00 0.00 H new ATOM 0 HE1 TYR A 101 10.239 -8.051 1.700 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.334 -6.345 1.748 1.00 0.00 H new ATOM 0 HH TYR A 101 8.343 -9.263 1.689 1.00 0.00 H new ATOM 1592 N LEU A 102 12.956 -3.005 3.488 1.00 0.00 N ATOM 1593 CA LEU A 102 14.367 -3.377 3.405 1.00 0.00 C ATOM 1594 C LEU A 102 14.965 -3.579 4.795 1.00 0.00 C ATOM 1595 O LEU A 102 15.849 -4.412 4.983 1.00 0.00 O ATOM 1596 CB LEU A 102 15.179 -2.316 2.653 1.00 0.00 C ATOM 1597 CG LEU A 102 14.397 -1.463 1.656 1.00 0.00 C ATOM 1598 CD1 LEU A 102 15.337 -0.541 0.897 1.00 0.00 C ATOM 1599 CD2 LEU A 102 13.615 -2.344 0.691 1.00 0.00 C ATOM 0 H LEU A 102 12.768 -2.016 3.327 1.00 0.00 H new ATOM 0 HA LEU A 102 14.418 -4.317 2.855 1.00 0.00 H new ATOM 0 HB2 LEU A 102 15.641 -1.654 3.385 1.00 0.00 H new ATOM 0 HB3 LEU A 102 15.988 -2.815 2.119 1.00 0.00 H new ATOM 0 HG LEU A 102 13.685 -0.851 2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 102 14.765 0.060 0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 102 15.849 0.115 1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 102 16.072 -1.136 0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 102 13.065 -1.717 -0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 102 14.305 -2.984 0.141 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.914 -2.963 1.250 1.00 0.00 H new ATOM 1611 N VAL A 103 14.491 -2.798 5.764 1.00 0.00 N ATOM 1612 CA VAL A 103 15.001 -2.887 7.128 1.00 0.00 C ATOM 1613 C VAL A 103 14.557 -4.168 7.817 1.00 0.00 C ATOM 1614 O VAL A 103 15.379 -4.895 8.374 1.00 0.00 O ATOM 1615 CB VAL A 103 14.568 -1.683 7.985 1.00 0.00 C ATOM 1616 CG1 VAL A 103 14.709 -2.008 9.467 1.00 0.00 C ATOM 1617 CG2 VAL A 103 15.380 -0.449 7.621 1.00 0.00 C ATOM 0 H VAL A 103 13.759 -2.101 5.630 1.00 0.00 H new ATOM 0 HA VAL A 103 16.087 -2.888 7.040 1.00 0.00 H new ATOM 0 HB VAL A 103 13.519 -1.470 7.781 1.00 0.00 H new ATOM 0 HG11 VAL A 103 14.399 -1.147 10.059 1.00 0.00 H new ATOM 0 HG12 VAL A 103 14.080 -2.863 9.713 1.00 0.00 H new ATOM 0 HG13 VAL A 103 15.749 -2.246 9.690 1.00 0.00 H new ATOM 0 HG21 VAL A 103 15.060 0.392 8.237 1.00 0.00 H new ATOM 0 HG22 VAL A 103 16.438 -0.645 7.796 1.00 0.00 H new ATOM 0 HG23 VAL A 103 15.225 -0.208 6.569 1.00 0.00 H new ATOM 1627 N ALA A 104 13.256 -4.444 7.781 1.00 0.00 N ATOM 1628 CA ALA A 104 12.716 -5.647 8.408 1.00 0.00 C ATOM 1629 C ALA A 104 13.562 -6.872 8.062 1.00 0.00 C ATOM 1630 O ALA A 104 13.525 -7.887 8.758 1.00 0.00 O ATOM 1631 CB ALA A 104 11.273 -5.859 7.983 1.00 0.00 C ATOM 0 H ALA A 104 12.559 -3.854 7.327 1.00 0.00 H new ATOM 0 HA ALA A 104 12.747 -5.512 9.489 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.882 -6.759 8.458 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.674 -5.000 8.286 1.00 0.00 H new ATOM 0 HB3 ALA A 104 11.225 -5.970 6.900 1.00 0.00 H new ATOM 1637 N HIS A 105 14.327 -6.761 6.979 1.00 0.00 N ATOM 1638 CA HIS A 105 15.187 -7.838 6.527 1.00 0.00 C ATOM 1639 C HIS A 105 16.065 -7.359 5.368 1.00 0.00 C ATOM 1640 O HIS A 105 15.561 -6.785 4.405 1.00 0.00 O ATOM 1641 CB HIS A 105 14.349 -9.048 6.093 1.00 0.00 C ATOM 1642 CG HIS A 105 13.044 -8.695 5.438 1.00 0.00 C ATOM 1643 ND1 HIS A 105 12.468 -7.494 5.178 1.00 0.00 N flip ATOM 1644 CD2 HIS A 105 12.166 -9.647 4.962 1.00 0.00 C flip ATOM 1645 CE1 HIS A 105 11.270 -7.744 4.557 1.00 0.00 C flip ATOM 1646 NE2 HIS A 105 11.111 -9.049 4.437 1.00 0.00 N flip ATOM 0 H HIS A 105 14.365 -5.925 6.397 1.00 0.00 H new ATOM 0 HA HIS A 105 15.829 -8.141 7.354 1.00 0.00 H new ATOM 0 HB2 HIS A 105 14.937 -9.653 5.402 1.00 0.00 H new ATOM 0 HB3 HIS A 105 14.147 -9.667 6.967 1.00 0.00 H new ATOM 0 HD2 HIS A 105 12.317 -10.715 5.011 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.570 -6.994 4.221 1.00 0.00 H new ATOM 0 HE2 HIS A 105 10.310 -9.516 4.012 1.00 0.00 H new ATOM 1655 N PRO A 106 17.395 -7.573 5.458 1.00 0.00 N ATOM 1656 CA PRO A 106 18.352 -7.152 4.427 1.00 0.00 C ATOM 1657 C PRO A 106 17.822 -7.274 2.995 1.00 0.00 C ATOM 1658 O PRO A 106 16.764 -7.851 2.745 1.00 0.00 O ATOM 1659 CB PRO A 106 19.526 -8.098 4.652 1.00 0.00 C ATOM 1660 CG PRO A 106 19.510 -8.386 6.118 1.00 0.00 C ATOM 1661 CD PRO A 106 18.081 -8.226 6.589 1.00 0.00 C ATOM 0 HA PRO A 106 18.596 -6.094 4.518 1.00 0.00 H new ATOM 0 HB2 PRO A 106 19.415 -9.012 4.068 1.00 0.00 H new ATOM 0 HB3 PRO A 106 20.467 -7.639 4.349 1.00 0.00 H new ATOM 0 HG2 PRO A 106 19.870 -9.396 6.316 1.00 0.00 H new ATOM 0 HG3 PRO A 106 20.170 -7.702 6.652 1.00 0.00 H new ATOM 0 HD2 PRO A 106 17.630 -9.190 6.825 1.00 0.00 H new ATOM 0 HD3 PRO A 106 18.026 -7.618 7.492 1.00 0.00 H new ATOM 1669 N LYS A 107 18.573 -6.690 2.066 1.00 0.00 N ATOM 1670 CA LYS A 107 18.211 -6.667 0.650 1.00 0.00 C ATOM 1671 C LYS A 107 17.837 -8.038 0.079 1.00 0.00 C ATOM 1672 O LYS A 107 16.717 -8.233 -0.395 1.00 0.00 O ATOM 1673 CB LYS A 107 19.363 -6.076 -0.164 1.00 0.00 C ATOM 1674 CG LYS A 107 19.239 -4.578 -0.391 1.00 0.00 C ATOM 1675 CD LYS A 107 20.581 -3.878 -0.242 1.00 0.00 C ATOM 1676 CE LYS A 107 20.703 -3.189 1.108 1.00 0.00 C ATOM 1677 NZ LYS A 107 19.766 -2.039 1.231 1.00 0.00 N ATOM 0 H LYS A 107 19.453 -6.218 2.273 1.00 0.00 H new ATOM 0 HA LYS A 107 17.317 -6.048 0.575 1.00 0.00 H new ATOM 0 HB2 LYS A 107 20.303 -6.281 0.349 1.00 0.00 H new ATOM 0 HB3 LYS A 107 19.411 -6.579 -1.130 1.00 0.00 H new ATOM 0 HG2 LYS A 107 18.839 -4.392 -1.388 1.00 0.00 H new ATOM 0 HG3 LYS A 107 18.528 -4.159 0.321 1.00 0.00 H new ATOM 0 HD2 LYS A 107 21.386 -4.604 -0.355 1.00 0.00 H new ATOM 0 HD3 LYS A 107 20.700 -3.144 -1.039 1.00 0.00 H new ATOM 0 HE2 LYS A 107 20.501 -3.908 1.902 1.00 0.00 H new ATOM 0 HE3 LYS A 107 21.726 -2.840 1.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 20.130 -1.368 1.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 19.681 -1.561 0.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 18.831 -2.383 1.530 1.00 0.00 H new ATOM 1691 N GLU A 108 18.787 -8.964 0.073 1.00 0.00 N ATOM 1692 CA GLU A 108 18.561 -10.290 -0.503 1.00 0.00 C ATOM 1693 C GLU A 108 17.543 -11.123 0.271 1.00 0.00 C ATOM 1694 O GLU A 108 16.888 -11.990 -0.310 1.00 0.00 O ATOM 1695 CB GLU A 108 19.884 -11.052 -0.608 1.00 0.00 C ATOM 1696 CG GLU A 108 20.617 -10.819 -1.919 1.00 0.00 C ATOM 1697 CD GLU A 108 21.965 -11.511 -1.964 1.00 0.00 C ATOM 1698 OE1 GLU A 108 22.043 -12.689 -1.553 1.00 0.00 O ATOM 1699 OE2 GLU A 108 22.944 -10.876 -2.410 1.00 0.00 O ATOM 0 H GLU A 108 19.721 -8.825 0.459 1.00 0.00 H new ATOM 0 HA GLU A 108 18.141 -10.126 -1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 108 20.531 -10.756 0.218 1.00 0.00 H new ATOM 0 HB3 GLU A 108 19.690 -12.118 -0.494 1.00 0.00 H new ATOM 0 HG2 GLU A 108 20.001 -11.177 -2.744 1.00 0.00 H new ATOM 0 HG3 GLU A 108 20.757 -9.748 -2.067 1.00 0.00 H new ATOM 1706 N GLU A 109 17.408 -10.881 1.571 1.00 0.00 N ATOM 1707 CA GLU A 109 16.459 -11.643 2.386 1.00 0.00 C ATOM 1708 C GLU A 109 15.116 -11.762 1.682 1.00 0.00 C ATOM 1709 O GLU A 109 14.492 -12.824 1.683 1.00 0.00 O ATOM 1710 CB GLU A 109 16.275 -10.990 3.749 1.00 0.00 C ATOM 1711 CG GLU A 109 17.587 -10.640 4.416 1.00 0.00 C ATOM 1712 CD GLU A 109 17.803 -11.389 5.716 1.00 0.00 C ATOM 1713 OE1 GLU A 109 16.842 -11.489 6.510 1.00 0.00 O ATOM 1714 OE2 GLU A 109 18.931 -11.875 5.943 1.00 0.00 O ATOM 0 H GLU A 109 17.935 -10.173 2.081 1.00 0.00 H new ATOM 0 HA GLU A 109 16.868 -12.643 2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 109 15.678 -10.085 3.635 1.00 0.00 H new ATOM 0 HB3 GLU A 109 15.713 -11.663 4.396 1.00 0.00 H new ATOM 0 HG2 GLU A 109 18.407 -10.862 3.733 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.616 -9.568 4.611 1.00 0.00 H new ATOM 1721 N TRP A 110 14.687 -10.671 1.062 1.00 0.00 N ATOM 1722 CA TRP A 110 13.433 -10.663 0.332 1.00 0.00 C ATOM 1723 C TRP A 110 13.697 -10.800 -1.155 1.00 0.00 C ATOM 1724 O TRP A 110 13.127 -11.664 -1.816 1.00 0.00 O ATOM 1725 CB TRP A 110 12.631 -9.383 0.593 1.00 0.00 C ATOM 1726 CG TRP A 110 13.453 -8.172 0.927 1.00 0.00 C ATOM 1727 CD1 TRP A 110 13.769 -7.726 2.174 1.00 0.00 C ATOM 1728 CD2 TRP A 110 14.040 -7.238 0.007 1.00 0.00 C ATOM 1729 NE1 TRP A 110 14.503 -6.571 2.092 1.00 0.00 N ATOM 1730 CE2 TRP A 110 14.684 -6.249 0.775 1.00 0.00 C ATOM 1731 CE3 TRP A 110 14.083 -7.137 -1.385 1.00 0.00 C ATOM 1732 CZ2 TRP A 110 15.357 -5.175 0.195 1.00 0.00 C ATOM 1733 CZ3 TRP A 110 14.753 -6.073 -1.959 1.00 0.00 C ATOM 1734 CH2 TRP A 110 15.381 -5.104 -1.170 1.00 0.00 C ATOM 0 H TRP A 110 15.190 -9.784 1.052 1.00 0.00 H new ATOM 0 HA TRP A 110 12.843 -11.509 0.684 1.00 0.00 H new ATOM 0 HB2 TRP A 110 12.031 -9.163 -0.290 1.00 0.00 H new ATOM 0 HB3 TRP A 110 11.937 -9.569 1.413 1.00 0.00 H new ATOM 0 HD1 TRP A 110 13.483 -8.212 3.095 1.00 0.00 H new ATOM 0 HE1 TRP A 110 14.857 -6.037 2.886 1.00 0.00 H new ATOM 0 HE3 TRP A 110 13.600 -7.879 -2.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 15.842 -4.425 0.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 14.792 -5.989 -3.035 1.00 0.00 H new ATOM 0 HH2 TRP A 110 15.895 -4.283 -1.648 1.00 0.00 H new ATOM 1745 N ALA A 111 14.572 -9.942 -1.669 1.00 0.00 N ATOM 1746 CA ALA A 111 14.926 -9.944 -3.089 1.00 0.00 C ATOM 1747 C ALA A 111 13.729 -10.319 -3.963 1.00 0.00 C ATOM 1748 O ALA A 111 13.801 -11.250 -4.765 1.00 0.00 O ATOM 1749 CB ALA A 111 16.093 -10.889 -3.344 1.00 0.00 C ATOM 0 H ALA A 111 15.054 -9.230 -1.120 1.00 0.00 H new ATOM 0 HA ALA A 111 15.229 -8.932 -3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 111 16.344 -10.879 -4.405 1.00 0.00 H new ATOM 0 HB2 ALA A 111 16.957 -10.565 -2.764 1.00 0.00 H new ATOM 0 HB3 ALA A 111 15.814 -11.900 -3.047 1.00 0.00 H new ATOM 1755 N ASP A 112 12.627 -9.588 -3.774 1.00 0.00 N ATOM 1756 CA ASP A 112 11.375 -9.808 -4.507 1.00 0.00 C ATOM 1757 C ASP A 112 10.451 -10.723 -3.721 1.00 0.00 C ATOM 1758 O ASP A 112 9.230 -10.572 -3.759 1.00 0.00 O ATOM 1759 CB ASP A 112 11.618 -10.376 -5.912 1.00 0.00 C ATOM 1760 CG ASP A 112 12.700 -9.625 -6.664 1.00 0.00 C ATOM 1761 OD1 ASP A 112 12.979 -8.463 -6.300 1.00 0.00 O ATOM 1762 OD2 ASP A 112 13.267 -10.199 -7.617 1.00 0.00 O ATOM 0 H ASP A 112 12.577 -8.821 -3.103 1.00 0.00 H new ATOM 0 HA ASP A 112 10.898 -8.835 -4.627 1.00 0.00 H new ATOM 0 HB2 ASP A 112 11.898 -11.426 -5.832 1.00 0.00 H new ATOM 0 HB3 ASP A 112 10.690 -10.336 -6.482 1.00 0.00 H new ATOM 1767 N VAL A 113 11.043 -11.658 -2.989 1.00 0.00 N ATOM 1768 CA VAL A 113 10.291 -12.583 -2.167 1.00 0.00 C ATOM 1769 C VAL A 113 9.536 -13.600 -3.012 1.00 0.00 C ATOM 1770 O VAL A 113 9.777 -14.802 -2.910 1.00 0.00 O ATOM 1771 CB VAL A 113 9.309 -11.829 -1.252 1.00 0.00 C ATOM 1772 CG1 VAL A 113 8.651 -12.783 -0.276 1.00 0.00 C ATOM 1773 CG2 VAL A 113 10.031 -10.718 -0.506 1.00 0.00 C ATOM 0 H VAL A 113 12.053 -11.792 -2.952 1.00 0.00 H new ATOM 0 HA VAL A 113 11.010 -13.122 -1.549 1.00 0.00 H new ATOM 0 HB VAL A 113 8.531 -11.383 -1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 113 7.960 -12.232 0.362 1.00 0.00 H new ATOM 0 HG12 VAL A 113 8.104 -13.548 -0.827 1.00 0.00 H new ATOM 0 HG13 VAL A 113 9.415 -13.257 0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 113 9.325 -10.193 0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 113 10.827 -11.146 0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 113 10.459 -10.017 -1.223 1.00 0.00 H new ATOM 1783 N THR A 114 8.615 -13.116 -3.838 1.00 0.00 N ATOM 1784 CA THR A 114 7.818 -13.991 -4.691 1.00 0.00 C ATOM 1785 C THR A 114 6.925 -14.907 -3.851 1.00 0.00 C ATOM 1786 O THR A 114 6.264 -15.799 -4.382 1.00 0.00 O ATOM 1787 CB THR A 114 8.722 -14.831 -5.603 1.00 0.00 C ATOM 1788 OG1 THR A 114 9.157 -16.008 -4.943 1.00 0.00 O ATOM 1789 CG2 THR A 114 9.953 -14.089 -6.081 1.00 0.00 C ATOM 0 H THR A 114 8.402 -12.123 -3.935 1.00 0.00 H new ATOM 0 HA THR A 114 7.182 -13.361 -5.313 1.00 0.00 H new ATOM 0 HB THR A 114 8.105 -15.072 -6.469 1.00 0.00 H new ATOM 0 HG1 THR A 114 9.341 -15.806 -4.002 1.00 0.00 H new ATOM 0 HG21 THR A 114 10.546 -14.742 -6.721 1.00 0.00 H new ATOM 0 HG22 THR A 114 9.650 -13.207 -6.645 1.00 0.00 H new ATOM 0 HG23 THR A 114 10.550 -13.783 -5.222 1.00 0.00 H new ATOM 1797 N GLU A 115 6.910 -14.682 -2.536 1.00 0.00 N ATOM 1798 CA GLU A 115 6.101 -15.487 -1.632 1.00 0.00 C ATOM 1799 C GLU A 115 5.980 -14.824 -0.262 1.00 0.00 C ATOM 1800 O GLU A 115 6.861 -14.966 0.586 1.00 0.00 O ATOM 1801 CB GLU A 115 6.718 -16.872 -1.485 1.00 0.00 C ATOM 1802 CG GLU A 115 8.135 -16.850 -0.936 1.00 0.00 C ATOM 1803 CD GLU A 115 8.270 -17.616 0.366 1.00 0.00 C ATOM 1804 OE1 GLU A 115 7.775 -18.761 0.435 1.00 0.00 O ATOM 1805 OE2 GLU A 115 8.869 -17.071 1.316 1.00 0.00 O ATOM 0 H GLU A 115 7.450 -13.948 -2.078 1.00 0.00 H new ATOM 0 HA GLU A 115 5.100 -15.575 -2.055 1.00 0.00 H new ATOM 0 HB2 GLU A 115 6.091 -17.472 -0.826 1.00 0.00 H new ATOM 0 HB3 GLU A 115 6.721 -17.365 -2.457 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.813 -17.276 -1.675 1.00 0.00 H new ATOM 0 HG3 GLU A 115 8.443 -15.816 -0.778 1.00 0.00 H new ATOM 1812 N THR A 116 4.889 -14.092 -0.051 1.00 0.00 N ATOM 1813 CA THR A 116 4.664 -13.404 1.211 1.00 0.00 C ATOM 1814 C THR A 116 3.183 -13.390 1.578 1.00 0.00 C ATOM 1815 O THR A 116 2.370 -14.073 0.954 1.00 0.00 O ATOM 1816 CB THR A 116 5.190 -11.971 1.131 1.00 0.00 C ATOM 1817 OG1 THR A 116 5.458 -11.597 -0.212 1.00 0.00 O ATOM 1818 CG2 THR A 116 6.453 -11.759 1.931 1.00 0.00 C ATOM 0 H THR A 116 4.148 -13.962 -0.740 1.00 0.00 H new ATOM 0 HA THR A 116 5.204 -13.946 1.988 1.00 0.00 H new ATOM 0 HB THR A 116 4.399 -11.351 1.554 1.00 0.00 H new ATOM 0 HG1 THR A 116 6.110 -12.217 -0.600 1.00 0.00 H new ATOM 0 HG21 THR A 116 6.776 -10.722 1.834 1.00 0.00 H new ATOM 0 HG22 THR A 116 6.261 -11.982 2.980 1.00 0.00 H new ATOM 0 HG23 THR A 116 7.236 -12.419 1.557 1.00 0.00 H new ATOM 1826 N ASN A 117 2.842 -12.605 2.596 1.00 0.00 N ATOM 1827 CA ASN A 117 1.463 -12.491 3.052 1.00 0.00 C ATOM 1828 C ASN A 117 1.347 -11.475 4.187 1.00 0.00 C ATOM 1829 O ASN A 117 2.268 -10.696 4.434 1.00 0.00 O ATOM 1830 CB ASN A 117 0.943 -13.857 3.512 1.00 0.00 C ATOM 1831 CG ASN A 117 -0.300 -14.285 2.757 1.00 0.00 C ATOM 1832 OD1 ASN A 117 -1.096 -13.452 2.326 1.00 0.00 O ATOM 1833 ND2 ASN A 117 -0.472 -15.591 2.594 1.00 0.00 N ATOM 0 H ASN A 117 3.506 -12.037 3.122 1.00 0.00 H new ATOM 0 HA ASN A 117 0.855 -12.143 2.217 1.00 0.00 H new ATOM 0 HB2 ASN A 117 1.724 -14.605 3.375 1.00 0.00 H new ATOM 0 HB3 ASN A 117 0.722 -13.818 4.579 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -1.290 -15.939 2.094 1.00 0.00 H new ATOM 0 HD22 ASN A 117 0.214 -16.246 2.968 1.00 0.00 H new ATOM 1840 N ASP A 118 0.212 -11.493 4.878 1.00 0.00 N ATOM 1841 CA ASP A 118 -0.031 -10.579 5.991 1.00 0.00 C ATOM 1842 C ASP A 118 1.086 -10.646 7.035 1.00 0.00 C ATOM 1843 O ASP A 118 1.202 -9.764 7.885 1.00 0.00 O ATOM 1844 CB ASP A 118 -1.376 -10.898 6.648 1.00 0.00 C ATOM 1845 CG ASP A 118 -2.526 -10.153 6.003 1.00 0.00 C ATOM 1846 OD1 ASP A 118 -2.781 -10.379 4.800 1.00 0.00 O ATOM 1847 OD2 ASP A 118 -3.174 -9.343 6.698 1.00 0.00 O ATOM 0 H ASP A 118 -0.558 -12.134 4.686 1.00 0.00 H new ATOM 0 HA ASP A 118 -0.051 -9.566 5.588 1.00 0.00 H new ATOM 0 HB2 ASP A 118 -1.562 -11.970 6.587 1.00 0.00 H new ATOM 0 HB3 ASP A 118 -1.330 -10.643 7.707 1.00 0.00 H new ATOM 1852 N ALA A 119 1.899 -11.697 6.975 1.00 0.00 N ATOM 1853 CA ALA A 119 2.994 -11.872 7.921 1.00 0.00 C ATOM 1854 C ALA A 119 4.023 -10.756 7.787 1.00 0.00 C ATOM 1855 O ALA A 119 4.369 -10.097 8.767 1.00 0.00 O ATOM 1856 CB ALA A 119 3.654 -13.227 7.717 1.00 0.00 C ATOM 0 H ALA A 119 1.819 -12.440 6.281 1.00 0.00 H new ATOM 0 HA ALA A 119 2.580 -11.827 8.928 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.470 -13.345 8.430 1.00 0.00 H new ATOM 0 HB2 ALA A 119 2.919 -14.017 7.873 1.00 0.00 H new ATOM 0 HB3 ALA A 119 4.046 -13.291 6.702 1.00 0.00 H new ATOM 1862 N LEU A 120 4.509 -10.549 6.567 1.00 0.00 N ATOM 1863 CA LEU A 120 5.500 -9.511 6.306 1.00 0.00 C ATOM 1864 C LEU A 120 4.990 -8.141 6.749 1.00 0.00 C ATOM 1865 O LEU A 120 5.777 -7.226 6.994 1.00 0.00 O ATOM 1866 CB LEU A 120 5.859 -9.485 4.819 1.00 0.00 C ATOM 1867 CG LEU A 120 7.346 -9.663 4.511 1.00 0.00 C ATOM 1868 CD1 LEU A 120 8.167 -8.571 5.182 1.00 0.00 C ATOM 1869 CD2 LEU A 120 7.819 -11.040 4.954 1.00 0.00 C ATOM 0 H LEU A 120 4.233 -11.086 5.745 1.00 0.00 H new ATOM 0 HA LEU A 120 6.395 -9.743 6.884 1.00 0.00 H new ATOM 0 HB2 LEU A 120 5.301 -10.272 4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 120 5.527 -8.537 4.397 1.00 0.00 H new ATOM 0 HG LEU A 120 7.487 -9.581 3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 120 9.222 -8.715 4.951 1.00 0.00 H new ATOM 0 HD12 LEU A 120 7.845 -7.596 4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 120 8.022 -8.618 6.261 1.00 0.00 H new ATOM 0 HD21 LEU A 120 8.879 -11.151 4.728 1.00 0.00 H new ATOM 0 HD22 LEU A 120 7.664 -11.150 6.027 1.00 0.00 H new ATOM 0 HD23 LEU A 120 7.253 -11.807 4.425 1.00 0.00 H new ATOM 1881 N LYS A 121 3.668 -8.005 6.848 1.00 0.00 N ATOM 1882 CA LYS A 121 3.053 -6.747 7.261 1.00 0.00 C ATOM 1883 C LYS A 121 3.744 -6.171 8.492 1.00 0.00 C ATOM 1884 O LYS A 121 3.613 -6.697 9.597 1.00 0.00 O ATOM 1885 CB LYS A 121 1.564 -6.953 7.544 1.00 0.00 C ATOM 1886 CG LYS A 121 0.710 -5.737 7.230 1.00 0.00 C ATOM 1887 CD LYS A 121 -0.751 -5.979 7.573 1.00 0.00 C ATOM 1888 CE LYS A 121 -0.949 -6.168 9.068 1.00 0.00 C ATOM 1889 NZ LYS A 121 -2.261 -5.630 9.526 1.00 0.00 N ATOM 0 H LYS A 121 3.003 -8.752 6.647 1.00 0.00 H new ATOM 0 HA LYS A 121 3.167 -6.035 6.444 1.00 0.00 H new ATOM 0 HB2 LYS A 121 1.205 -7.799 6.958 1.00 0.00 H new ATOM 0 HB3 LYS A 121 1.435 -7.215 8.594 1.00 0.00 H new ATOM 0 HG2 LYS A 121 1.079 -4.878 7.790 1.00 0.00 H new ATOM 0 HG3 LYS A 121 0.801 -5.491 6.172 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -1.351 -5.136 7.229 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -1.109 -6.862 7.043 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -0.886 -7.229 9.311 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -0.144 -5.669 9.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -2.403 -5.868 10.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -2.272 -4.597 9.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -3.025 -6.050 8.959 1.00 0.00 H new ATOM 1903 N MET A 122 4.486 -5.090 8.285 1.00 0.00 N ATOM 1904 CA MET A 122 5.209 -4.437 9.367 1.00 0.00 C ATOM 1905 C MET A 122 4.340 -3.390 10.056 1.00 0.00 C ATOM 1906 O MET A 122 3.552 -2.696 9.409 1.00 0.00 O ATOM 1907 CB MET A 122 6.481 -3.780 8.826 1.00 0.00 C ATOM 1908 CG MET A 122 6.218 -2.750 7.737 1.00 0.00 C ATOM 1909 SD MET A 122 7.001 -3.174 6.167 1.00 0.00 S ATOM 1910 CE MET A 122 7.120 -1.564 5.386 1.00 0.00 C ATOM 0 H MET A 122 4.602 -4.646 7.374 1.00 0.00 H new ATOM 0 HA MET A 122 5.477 -5.197 10.101 1.00 0.00 H new ATOM 0 HB2 MET A 122 7.010 -3.300 9.649 1.00 0.00 H new ATOM 0 HB3 MET A 122 7.140 -4.553 8.432 1.00 0.00 H new ATOM 0 HG2 MET A 122 5.143 -2.654 7.587 1.00 0.00 H new ATOM 0 HG3 MET A 122 6.582 -1.777 8.068 1.00 0.00 H new ATOM 0 HE1 MET A 122 6.534 -1.561 4.467 1.00 0.00 H new ATOM 0 HE2 MET A 122 6.736 -0.802 6.064 1.00 0.00 H new ATOM 0 HE3 MET A 122 8.163 -1.349 5.152 1.00 0.00 H new ATOM 1920 N LYS A 123 4.498 -3.271 11.372 1.00 0.00 N ATOM 1921 CA LYS A 123 3.736 -2.299 12.151 1.00 0.00 C ATOM 1922 C LYS A 123 3.852 -0.905 11.539 1.00 0.00 C ATOM 1923 O LYS A 123 2.994 -0.049 11.753 1.00 0.00 O ATOM 1924 CB LYS A 123 4.226 -2.280 13.601 1.00 0.00 C ATOM 1925 CG LYS A 123 3.206 -2.810 14.595 1.00 0.00 C ATOM 1926 CD LYS A 123 3.292 -4.322 14.733 1.00 0.00 C ATOM 1927 CE LYS A 123 3.083 -4.764 16.172 1.00 0.00 C ATOM 1928 NZ LYS A 123 4.006 -5.869 16.553 1.00 0.00 N ATOM 0 H LYS A 123 5.147 -3.835 11.921 1.00 0.00 H new ATOM 0 HA LYS A 123 2.687 -2.596 12.136 1.00 0.00 H new ATOM 0 HB2 LYS A 123 5.137 -2.874 13.676 1.00 0.00 H new ATOM 0 HB3 LYS A 123 4.489 -1.258 13.873 1.00 0.00 H new ATOM 0 HG2 LYS A 123 3.369 -2.345 15.567 1.00 0.00 H new ATOM 0 HG3 LYS A 123 2.203 -2.530 14.272 1.00 0.00 H new ATOM 0 HD2 LYS A 123 2.542 -4.790 14.095 1.00 0.00 H new ATOM 0 HD3 LYS A 123 4.266 -4.665 14.384 1.00 0.00 H new ATOM 0 HE2 LYS A 123 3.238 -3.916 16.839 1.00 0.00 H new ATOM 0 HE3 LYS A 123 2.052 -5.090 16.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 3.832 -6.142 17.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 3.841 -6.688 15.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 4.991 -5.550 16.450 1.00 0.00 H new ATOM 1942 N GLN A 124 4.919 -0.686 10.778 1.00 0.00 N ATOM 1943 CA GLN A 124 5.151 0.597 10.129 1.00 0.00 C ATOM 1944 C GLN A 124 4.084 0.878 9.078 1.00 0.00 C ATOM 1945 O GLN A 124 3.264 1.782 9.235 1.00 0.00 O ATOM 1946 CB GLN A 124 6.530 0.608 9.475 1.00 0.00 C ATOM 1947 CG GLN A 124 7.542 1.480 10.197 1.00 0.00 C ATOM 1948 CD GLN A 124 8.002 0.874 11.509 1.00 0.00 C ATOM 1949 OE1 GLN A 124 9.013 0.175 11.562 1.00 0.00 O ATOM 1950 NE2 GLN A 124 7.257 1.138 12.575 1.00 0.00 N ATOM 0 H GLN A 124 5.639 -1.385 10.596 1.00 0.00 H new ATOM 0 HA GLN A 124 5.101 1.376 10.889 1.00 0.00 H new ATOM 0 HB2 GLN A 124 6.909 -0.413 9.431 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.432 0.956 8.447 1.00 0.00 H new ATOM 0 HG2 GLN A 124 8.406 1.639 9.551 1.00 0.00 H new ATOM 0 HG3 GLN A 124 7.102 2.459 10.387 1.00 0.00 H new ATOM 0 HE21 GLN A 124 6.426 1.723 12.484 1.00 0.00 H new ATOM 0 HE22 GLN A 124 7.515 0.756 13.485 1.00 0.00 H new ATOM 1959 N LEU A 125 4.110 0.099 8.001 1.00 0.00 N ATOM 1960 CA LEU A 125 3.153 0.264 6.914 1.00 0.00 C ATOM 1961 C LEU A 125 1.722 0.263 7.436 1.00 0.00 C ATOM 1962 O LEU A 125 0.842 0.899 6.858 1.00 0.00 O ATOM 1963 CB LEU A 125 3.336 -0.840 5.865 1.00 0.00 C ATOM 1964 CG LEU A 125 2.641 -2.170 6.177 1.00 0.00 C ATOM 1965 CD1 LEU A 125 1.184 -2.129 5.738 1.00 0.00 C ATOM 1966 CD2 LEU A 125 3.370 -3.321 5.504 1.00 0.00 C ATOM 0 H LEU A 125 4.784 -0.653 7.858 1.00 0.00 H new ATOM 0 HA LEU A 125 3.343 1.230 6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 125 2.966 -0.472 4.908 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.403 -1.028 5.743 1.00 0.00 H new ATOM 0 HG LEU A 125 2.669 -2.328 7.255 1.00 0.00 H new ATOM 0 HD11 LEU A 125 0.708 -3.082 5.968 1.00 0.00 H new ATOM 0 HD12 LEU A 125 0.667 -1.328 6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.132 -1.947 4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 125 2.863 -4.258 5.736 1.00 0.00 H new ATOM 0 HD22 LEU A 125 3.374 -3.168 4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 125 4.397 -3.364 5.868 1.00 0.00 H new ATOM 1978 N ASP A 126 1.495 -0.454 8.531 1.00 0.00 N ATOM 1979 CA ASP A 126 0.162 -0.529 9.122 1.00 0.00 C ATOM 1980 C ASP A 126 -0.155 0.740 9.905 1.00 0.00 C ATOM 1981 O ASP A 126 -1.128 1.440 9.618 1.00 0.00 O ATOM 1982 CB ASP A 126 0.048 -1.742 10.045 1.00 0.00 C ATOM 1983 CG ASP A 126 0.328 -3.047 9.329 1.00 0.00 C ATOM 1984 OD1 ASP A 126 -0.450 -3.402 8.420 1.00 0.00 O ATOM 1985 OD2 ASP A 126 1.323 -3.716 9.679 1.00 0.00 O ATOM 0 H ASP A 126 2.210 -0.988 9.025 1.00 0.00 H new ATOM 0 HA ASP A 126 -0.557 -0.632 8.309 1.00 0.00 H new ATOM 0 HB2 ASP A 126 0.746 -1.630 10.874 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -0.954 -1.775 10.474 1.00 0.00 H new ATOM 1990 N THR A 127 0.683 1.031 10.891 1.00 0.00 N ATOM 1991 CA THR A 127 0.511 2.216 11.720 1.00 0.00 C ATOM 1992 C THR A 127 0.499 3.472 10.860 1.00 0.00 C ATOM 1993 O THR A 127 -0.114 4.479 11.217 1.00 0.00 O ATOM 1994 CB THR A 127 1.628 2.304 12.760 1.00 0.00 C ATOM 1995 OG1 THR A 127 1.667 1.132 13.555 1.00 0.00 O ATOM 1996 CG2 THR A 127 1.485 3.487 13.694 1.00 0.00 C ATOM 0 H THR A 127 1.492 0.460 11.137 1.00 0.00 H new ATOM 0 HA THR A 127 -0.446 2.138 12.236 1.00 0.00 H new ATOM 0 HB THR A 127 2.547 2.423 12.186 1.00 0.00 H new ATOM 0 HG1 THR A 127 2.409 0.563 13.262 1.00 0.00 H new ATOM 0 HG21 THR A 127 2.310 3.490 14.407 1.00 0.00 H new ATOM 0 HG22 THR A 127 1.502 4.411 13.116 1.00 0.00 H new ATOM 0 HG23 THR A 127 0.540 3.413 14.233 1.00 0.00 H new ATOM 2004 N TYR A 128 1.180 3.405 9.722 1.00 0.00 N ATOM 2005 CA TYR A 128 1.248 4.533 8.812 1.00 0.00 C ATOM 2006 C TYR A 128 -0.078 4.721 8.092 1.00 0.00 C ATOM 2007 O TYR A 128 -0.662 5.800 8.128 1.00 0.00 O ATOM 2008 CB TYR A 128 2.372 4.328 7.794 1.00 0.00 C ATOM 2009 CG TYR A 128 3.735 4.740 8.304 1.00 0.00 C ATOM 2010 CD1 TYR A 128 4.142 4.418 9.592 1.00 0.00 C ATOM 2011 CD2 TYR A 128 4.614 5.450 7.495 1.00 0.00 C ATOM 2012 CE1 TYR A 128 5.388 4.792 10.061 1.00 0.00 C ATOM 2013 CE2 TYR A 128 5.861 5.827 7.956 1.00 0.00 C ATOM 2014 CZ TYR A 128 6.242 5.496 9.239 1.00 0.00 C ATOM 2015 OH TYR A 128 7.483 5.871 9.702 1.00 0.00 O ATOM 0 H TYR A 128 1.692 2.579 9.411 1.00 0.00 H new ATOM 0 HA TYR A 128 1.458 5.430 9.395 1.00 0.00 H new ATOM 0 HB2 TYR A 128 2.403 3.277 7.507 1.00 0.00 H new ATOM 0 HB3 TYR A 128 2.143 4.898 6.893 1.00 0.00 H new ATOM 0 HD1 TYR A 128 3.475 3.867 10.238 1.00 0.00 H new ATOM 0 HD2 TYR A 128 4.318 5.711 6.490 1.00 0.00 H new ATOM 0 HE1 TYR A 128 5.690 4.534 11.065 1.00 0.00 H new ATOM 0 HE2 TYR A 128 6.533 6.378 7.315 1.00 0.00 H new ATOM 0 HH TYR A 128 7.797 5.218 10.361 1.00 0.00 H new ATOM 2025 N ILE A 129 -0.549 3.666 7.435 1.00 0.00 N ATOM 2026 CA ILE A 129 -1.801 3.723 6.702 1.00 0.00 C ATOM 2027 C ILE A 129 -2.965 4.145 7.591 1.00 0.00 C ATOM 2028 O ILE A 129 -3.960 4.681 7.105 1.00 0.00 O ATOM 2029 CB ILE A 129 -2.133 2.369 6.050 1.00 0.00 C ATOM 2030 CG1 ILE A 129 -3.431 2.496 5.245 1.00 0.00 C ATOM 2031 CG2 ILE A 129 -2.240 1.277 7.102 1.00 0.00 C ATOM 2032 CD1 ILE A 129 -4.650 2.070 6.011 1.00 0.00 C ATOM 0 H ILE A 129 -0.079 2.762 7.397 1.00 0.00 H new ATOM 0 HA ILE A 129 -1.664 4.474 5.924 1.00 0.00 H new ATOM 0 HB ILE A 129 -1.327 2.088 5.372 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -3.554 3.532 4.928 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -3.350 1.893 4.341 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -2.475 0.328 6.619 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -1.292 1.189 7.633 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -3.030 1.530 7.810 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -5.533 2.185 5.383 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -4.548 1.026 6.306 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -4.755 2.690 6.902 1.00 0.00 H new ATOM 2044 N SER A 130 -2.847 3.896 8.887 1.00 0.00 N ATOM 2045 CA SER A 130 -3.906 4.252 9.818 1.00 0.00 C ATOM 2046 C SER A 130 -3.839 5.730 10.185 1.00 0.00 C ATOM 2047 O SER A 130 -4.860 6.417 10.226 1.00 0.00 O ATOM 2048 CB SER A 130 -3.810 3.384 11.073 1.00 0.00 C ATOM 2049 OG SER A 130 -4.485 3.984 12.166 1.00 0.00 O ATOM 0 H SER A 130 -2.034 3.452 9.315 1.00 0.00 H new ATOM 0 HA SER A 130 -4.866 4.071 9.334 1.00 0.00 H new ATOM 0 HB2 SER A 130 -4.239 2.402 10.873 1.00 0.00 H new ATOM 0 HB3 SER A 130 -2.762 3.228 11.331 1.00 0.00 H new ATOM 0 HG SER A 130 -4.829 3.286 12.761 1.00 0.00 H new ATOM 2055 N LYS A 131 -2.635 6.208 10.460 1.00 0.00 N ATOM 2056 CA LYS A 131 -2.425 7.603 10.837 1.00 0.00 C ATOM 2057 C LYS A 131 -2.301 8.519 9.616 1.00 0.00 C ATOM 2058 O LYS A 131 -2.480 9.732 9.723 1.00 0.00 O ATOM 2059 CB LYS A 131 -1.170 7.721 11.704 1.00 0.00 C ATOM 2060 CG LYS A 131 -1.357 7.229 13.133 1.00 0.00 C ATOM 2061 CD LYS A 131 -2.146 5.931 13.192 1.00 0.00 C ATOM 2062 CE LYS A 131 -1.990 5.243 14.538 1.00 0.00 C ATOM 2063 NZ LYS A 131 -2.304 3.791 14.460 1.00 0.00 N ATOM 0 H LYS A 131 -1.782 5.649 10.430 1.00 0.00 H new ATOM 0 HA LYS A 131 -3.300 7.926 11.401 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -0.364 7.154 11.238 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -0.854 8.764 11.728 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -0.381 7.081 13.596 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -1.873 7.993 13.715 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -3.200 6.137 13.008 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -1.808 5.263 12.400 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -0.969 5.375 14.897 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -2.647 5.718 15.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -2.485 3.423 15.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -3.148 3.650 13.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -1.499 3.284 14.041 1.00 0.00 H new ATOM 2077 N TYR A 132 -1.970 7.940 8.466 1.00 0.00 N ATOM 2078 CA TYR A 132 -1.796 8.718 7.238 1.00 0.00 C ATOM 2079 C TYR A 132 -3.121 9.061 6.567 1.00 0.00 C ATOM 2080 O TYR A 132 -3.159 9.904 5.673 1.00 0.00 O ATOM 2081 CB TYR A 132 -0.888 7.980 6.257 1.00 0.00 C ATOM 2082 CG TYR A 132 0.552 8.442 6.312 1.00 0.00 C ATOM 2083 CD1 TYR A 132 1.430 7.931 7.259 1.00 0.00 C ATOM 2084 CD2 TYR A 132 1.031 9.392 5.419 1.00 0.00 C ATOM 2085 CE1 TYR A 132 2.745 8.352 7.314 1.00 0.00 C ATOM 2086 CE2 TYR A 132 2.346 9.817 5.466 1.00 0.00 C ATOM 2087 CZ TYR A 132 3.198 9.294 6.415 1.00 0.00 C ATOM 2088 OH TYR A 132 4.507 9.715 6.467 1.00 0.00 O ATOM 0 H TYR A 132 -1.817 6.938 8.356 1.00 0.00 H new ATOM 0 HA TYR A 132 -1.328 9.658 7.528 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -0.928 6.912 6.469 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -1.269 8.119 5.245 1.00 0.00 H new ATOM 0 HD1 TYR A 132 1.079 7.192 7.964 1.00 0.00 H new ATOM 0 HD2 TYR A 132 0.365 9.806 4.676 1.00 0.00 H new ATOM 0 HE1 TYR A 132 3.414 7.945 8.057 1.00 0.00 H new ATOM 0 HE2 TYR A 132 2.704 10.555 4.763 1.00 0.00 H new ATOM 0 HH TYR A 132 4.665 10.380 5.765 1.00 0.00 H new ATOM 2098 N GLN A 133 -4.200 8.410 6.989 1.00 0.00 N ATOM 2099 CA GLN A 133 -5.525 8.654 6.412 1.00 0.00 C ATOM 2100 C GLN A 133 -5.751 10.133 6.100 1.00 0.00 C ATOM 2101 O GLN A 133 -6.454 10.473 5.148 1.00 0.00 O ATOM 2102 CB GLN A 133 -6.610 8.151 7.361 1.00 0.00 C ATOM 2103 CG GLN A 133 -6.544 8.779 8.741 1.00 0.00 C ATOM 2104 CD GLN A 133 -7.916 8.990 9.352 1.00 0.00 C ATOM 2105 OE1 GLN A 133 -8.270 10.102 9.745 1.00 0.00 O ATOM 2106 NE2 GLN A 133 -8.697 7.919 9.436 1.00 0.00 N ATOM 0 H GLN A 133 -4.187 7.708 7.729 1.00 0.00 H new ATOM 0 HA GLN A 133 -5.578 8.107 5.471 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -7.587 8.355 6.924 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -6.524 7.069 7.458 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -5.952 8.142 9.398 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -6.028 9.737 8.676 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -8.363 7.017 9.098 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -9.631 7.999 9.839 1.00 0.00 H new ATOM 2115 N ASP A 134 -5.152 11.008 6.900 1.00 0.00 N ATOM 2116 CA ASP A 134 -5.290 12.444 6.695 1.00 0.00 C ATOM 2117 C ASP A 134 -4.506 12.894 5.464 1.00 0.00 C ATOM 2118 O ASP A 134 -3.682 12.148 4.938 1.00 0.00 O ATOM 2119 CB ASP A 134 -4.810 13.204 7.933 1.00 0.00 C ATOM 2120 CG ASP A 134 -5.953 13.610 8.842 1.00 0.00 C ATOM 2121 OD1 ASP A 134 -6.418 12.758 9.629 1.00 0.00 O ATOM 2122 OD2 ASP A 134 -6.383 14.780 8.768 1.00 0.00 O ATOM 0 H ASP A 134 -4.568 10.748 7.695 1.00 0.00 H new ATOM 0 HA ASP A 134 -6.344 12.666 6.530 1.00 0.00 H new ATOM 0 HB2 ASP A 134 -4.111 12.581 8.490 1.00 0.00 H new ATOM 0 HB3 ASP A 134 -4.264 14.094 7.620 1.00 0.00 H new ATOM 2127 N PRO A 135 -4.747 14.128 4.986 1.00 0.00 N ATOM 2128 CA PRO A 135 -4.052 14.669 3.815 1.00 0.00 C ATOM 2129 C PRO A 135 -2.538 14.542 3.938 1.00 0.00 C ATOM 2130 O PRO A 135 -1.823 14.498 2.938 1.00 0.00 O ATOM 2131 CB PRO A 135 -4.466 16.148 3.786 1.00 0.00 C ATOM 2132 CG PRO A 135 -5.112 16.404 5.105 1.00 0.00 C ATOM 2133 CD PRO A 135 -5.699 15.095 5.540 1.00 0.00 C ATOM 0 HA PRO A 135 -4.316 14.130 2.905 1.00 0.00 H new ATOM 0 HB2 PRO A 135 -3.601 16.795 3.640 1.00 0.00 H new ATOM 0 HB3 PRO A 135 -5.155 16.347 2.966 1.00 0.00 H new ATOM 0 HG2 PRO A 135 -4.385 16.766 5.832 1.00 0.00 H new ATOM 0 HG3 PRO A 135 -5.884 17.168 5.019 1.00 0.00 H new ATOM 0 HD2 PRO A 135 -5.769 15.021 6.625 1.00 0.00 H new ATOM 0 HD3 PRO A 135 -6.704 14.948 5.145 1.00 0.00 H new ATOM 2141 N SER A 136 -2.058 14.480 5.176 1.00 0.00 N ATOM 2142 CA SER A 136 -0.631 14.355 5.441 1.00 0.00 C ATOM 2143 C SER A 136 -0.388 13.935 6.885 1.00 0.00 C ATOM 2144 O SER A 136 0.211 12.892 7.147 1.00 0.00 O ATOM 2145 CB SER A 136 0.078 15.681 5.158 1.00 0.00 C ATOM 2146 OG SER A 136 0.605 15.707 3.842 1.00 0.00 O ATOM 0 H SER A 136 -2.639 14.515 6.013 1.00 0.00 H new ATOM 0 HA SER A 136 -0.226 13.587 4.782 1.00 0.00 H new ATOM 0 HB2 SER A 136 -0.622 16.506 5.289 1.00 0.00 H new ATOM 0 HB3 SER A 136 0.883 15.828 5.878 1.00 0.00 H new ATOM 0 HG SER A 136 -0.060 15.351 3.216 1.00 0.00 H new ATOM 2152 N GLN A 137 -0.858 14.757 7.819 1.00 0.00 N ATOM 2153 CA GLN A 137 -0.696 14.482 9.243 1.00 0.00 C ATOM 2154 C GLN A 137 0.765 14.617 9.674 1.00 0.00 C ATOM 2155 O GLN A 137 1.115 14.301 10.811 1.00 0.00 O ATOM 2156 CB GLN A 137 -1.215 13.080 9.578 1.00 0.00 C ATOM 2157 CG GLN A 137 -2.280 13.070 10.663 1.00 0.00 C ATOM 2158 CD GLN A 137 -2.245 11.809 11.503 1.00 0.00 C ATOM 2159 OE1 GLN A 137 -1.176 11.276 11.801 1.00 0.00 O ATOM 2160 NE2 GLN A 137 -3.419 11.323 11.890 1.00 0.00 N ATOM 0 H GLN A 137 -1.356 15.623 7.614 1.00 0.00 H new ATOM 0 HA GLN A 137 -1.280 15.220 9.792 1.00 0.00 H new ATOM 0 HB2 GLN A 137 -1.624 12.627 8.675 1.00 0.00 H new ATOM 0 HB3 GLN A 137 -0.378 12.458 9.896 1.00 0.00 H new ATOM 0 HG2 GLN A 137 -2.143 13.937 11.310 1.00 0.00 H new ATOM 0 HG3 GLN A 137 -3.263 13.168 10.203 1.00 0.00 H new ATOM 0 HE21 GLN A 137 -4.281 11.797 11.620 1.00 0.00 H new ATOM 0 HE22 GLN A 137 -3.458 10.476 12.457 1.00 0.00 H new ATOM 2169 N ALA A 138 1.617 15.090 8.764 1.00 0.00 N ATOM 2170 CA ALA A 138 3.035 15.266 9.058 1.00 0.00 C ATOM 2171 C ALA A 138 3.635 14.008 9.680 1.00 0.00 C ATOM 2172 O ALA A 138 4.543 14.086 10.508 1.00 0.00 O ATOM 2173 CB ALA A 138 3.237 16.460 9.979 1.00 0.00 C ATOM 0 H ALA A 138 1.347 15.358 7.817 1.00 0.00 H new ATOM 0 HA ALA A 138 3.553 15.452 8.117 1.00 0.00 H new ATOM 0 HB1 ALA A 138 4.299 16.581 10.191 1.00 0.00 H new ATOM 0 HB2 ALA A 138 2.859 17.361 9.495 1.00 0.00 H new ATOM 0 HB3 ALA A 138 2.698 16.295 10.912 1.00 0.00 H new ATOM 2179 N ASP A 139 3.120 12.851 9.277 1.00 0.00 N ATOM 2180 CA ASP A 139 3.603 11.577 9.795 1.00 0.00 C ATOM 2181 C ASP A 139 3.357 11.474 11.296 1.00 0.00 C ATOM 2182 O ASP A 139 4.127 10.843 12.021 1.00 0.00 O ATOM 2183 CB ASP A 139 5.096 11.414 9.498 1.00 0.00 C ATOM 2184 CG ASP A 139 5.609 10.032 9.857 1.00 0.00 C ATOM 2185 OD1 ASP A 139 4.808 9.074 9.822 1.00 0.00 O ATOM 2186 OD2 ASP A 139 6.811 9.909 10.173 1.00 0.00 O ATOM 0 H ASP A 139 2.368 12.770 8.593 1.00 0.00 H new ATOM 0 HA ASP A 139 3.052 10.778 9.298 1.00 0.00 H new ATOM 0 HB2 ASP A 139 5.276 11.602 8.439 1.00 0.00 H new ATOM 0 HB3 ASP A 139 5.658 12.163 10.055 1.00 0.00 H new ATOM 2191 N ALA A 140 2.279 12.099 11.758 1.00 0.00 N ATOM 2192 CA ALA A 140 1.930 12.078 13.174 1.00 0.00 C ATOM 2193 C ALA A 140 1.569 10.668 13.629 1.00 0.00 C ATOM 2194 O ALA A 140 0.612 10.093 13.069 1.00 0.00 O ATOM 2195 CB ALA A 140 0.780 13.035 13.448 1.00 0.00 C ATOM 2196 OXT ALA A 140 2.245 10.151 14.542 1.00 0.00 O ATOM 0 H ALA A 140 1.632 12.627 11.172 1.00 0.00 H new ATOM 0 HA ALA A 140 2.801 12.403 13.743 1.00 0.00 H new ATOM 0 HB1 ALA A 140 0.530 13.009 14.509 1.00 0.00 H new ATOM 0 HB2 ALA A 140 1.074 14.047 13.169 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -0.090 12.736 12.863 1.00 0.00 H new TER 2202 ALA A 140