USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 716 hydrogens (11 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 NoAdj-H: B 238 NLE HN2 : B 238 NLE N : B 237 LEU C :(H bumps) USER MOD NoAdj-H: B 238 NLE H : B 238 NLE N : B 237 LEU C :(H bumps) USER MOD Set 1.1: A 116 SER OG : rot 180:sc= 0.0263 USER MOD Set 1.2: A 117 HIS : no HE2:sc= -2.25! C(o=-2.2!,f=-5.6!) USER MOD Set 2.1: A 98 ASN : amide:sc= 0.638 K(o=1.8,f=-1.3!) USER MOD Set 2.2: A 100 TYR OH : rot -53:sc= 1.15 USER MOD Set 3.1: A 87 TYR OH : rot 106:sc= 2.26 USER MOD Set 3.2: A 95 THR OG1 : rot -71:sc= 1.12! USER MOD Set 4.1: A 49 THR OG1 : rot -140:sc= -0.382 USER MOD Set 4.2: A 73 GLN : amide:sc= 0.992 K(o=0.61,f=-4.7!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -1.96 X(o=-2,f=-2.2!) USER MOD Single : A 48 THR OG1 : rot 59:sc= 1.03 USER MOD Single : A 52 ASN : amide:sc= -0.0578 X(o=-0.058,f=-0.058) USER MOD Single : A 54 SER OG : rot 50:sc= 1.18 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -83:sc= -0.212 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0.526 K(o=0.53,f=-0.1) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0954 USER MOD Single : A 63 THR OG1 : rot 148:sc= 1.43 USER MOD Single : A 66 GLN : amide:sc= -0.212 K(o=-0.21,f=-1.8!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 69:sc= 0.33 USER MOD Single : A 89 ASN : amide:sc= -1.82 K(o=-1.8,f=-2.3) USER MOD Single : A 92 LYS NZ :NH3+ -149:sc= 1.08 (180deg=-2.17!) USER MOD Single : A 93 TYR OH : rot 16:sc= 0.364 USER MOD Single : A 94 ASN : amide:sc= -0.0519 K(o=-0.052,f=-1.6!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 111 SER OG : rot 180:sc= 0.0987 USER MOD Single : A 114 ASN : amide:sc= -0.221 K(o=-0.22,f=-2.5!) USER MOD Single : A 115 TYR OH : rot 80:sc= 0.159 USER MOD Single : B 229 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 232 HIS : no HD1:sc= -0.193 K(o=-0.19,f=-0.73) USER MOD Single : B 233 LYS NZ :NH3+ -117:sc= -13.4! (180deg=-18.3!) USER MOD Single : B 234 ASN : amide:sc= -2.25! C(o=-2.3!,f=-7.1!) USER MOD Single : B 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 44 -5.880 9.765 1.637 1.00 0.00 N ATOM 2 CA TYR A 44 -6.468 9.133 0.420 1.00 0.00 C ATOM 3 C TYR A 44 -5.466 8.192 -0.256 1.00 0.00 C ATOM 4 O TYR A 44 -4.257 8.333 -0.071 1.00 0.00 O ATOM 5 CB TYR A 44 -6.903 10.240 -0.551 1.00 0.00 C ATOM 6 CG TYR A 44 -8.213 9.953 -1.249 1.00 0.00 C ATOM 7 CD1 TYR A 44 -9.401 9.872 -0.533 1.00 0.00 C ATOM 8 CD2 TYR A 44 -8.262 9.761 -2.624 1.00 0.00 C ATOM 9 CE1 TYR A 44 -10.601 9.608 -1.168 1.00 0.00 C ATOM 10 CE2 TYR A 44 -9.460 9.498 -3.265 1.00 0.00 C ATOM 11 CZ TYR A 44 -10.623 9.422 -2.532 1.00 0.00 C ATOM 12 OH TYR A 44 -11.814 9.161 -3.169 1.00 0.00 O ATOM 0 HA TYR A 44 -7.331 8.535 0.711 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.991 11.178 -0.003 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.125 10.380 -1.301 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -9.387 10.018 0.537 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.351 9.818 -3.202 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -11.516 9.548 -0.597 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.483 9.353 -4.335 1.00 0.00 H new ATOM 0 HH TYR A 44 -11.655 9.057 -4.130 1.00 0.00 H new ATOM 22 N CYS A 45 -5.973 7.230 -1.029 1.00 0.00 N ATOM 23 CA CYS A 45 -5.119 6.267 -1.714 1.00 0.00 C ATOM 24 C CYS A 45 -4.774 6.706 -3.144 1.00 0.00 C ATOM 25 O CYS A 45 -3.720 6.345 -3.662 1.00 0.00 O ATOM 26 CB CYS A 45 -5.801 4.905 -1.729 1.00 0.00 C ATOM 27 SG CYS A 45 -4.679 3.500 -1.433 1.00 0.00 S ATOM 0 H CYS A 45 -6.971 7.100 -1.194 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.179 6.206 -1.166 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -6.584 4.896 -0.971 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -6.290 4.767 -2.693 1.00 0.00 H new ATOM 32 N HIS A 46 -5.658 7.486 -3.777 1.00 0.00 N ATOM 33 CA HIS A 46 -5.434 7.966 -5.144 1.00 0.00 C ATOM 34 C HIS A 46 -5.252 6.801 -6.127 1.00 0.00 C ATOM 35 O HIS A 46 -4.231 6.702 -6.813 1.00 0.00 O ATOM 36 CB HIS A 46 -4.215 8.890 -5.195 1.00 0.00 C ATOM 37 CG HIS A 46 -4.252 10.010 -4.203 1.00 0.00 C ATOM 38 ND1 HIS A 46 -4.396 11.330 -4.563 1.00 0.00 N ATOM 39 CD2 HIS A 46 -4.146 10.000 -2.856 1.00 0.00 C ATOM 40 CE1 HIS A 46 -4.376 12.086 -3.480 1.00 0.00 C ATOM 41 NE2 HIS A 46 -4.225 11.304 -2.427 1.00 0.00 N ATOM 0 H HIS A 46 -6.536 7.798 -3.363 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.319 8.526 -5.445 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.316 8.297 -5.023 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.133 9.310 -6.197 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.022 9.128 -2.231 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -4.468 13.162 -3.459 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -4.175 11.615 -1.457 1.00 0.00 H new ATOM 50 N ARG A 47 -6.246 5.916 -6.177 1.00 0.00 N ATOM 51 CA ARG A 47 -6.191 4.747 -7.067 1.00 0.00 C ATOM 52 C ARG A 47 -7.440 4.591 -7.945 1.00 0.00 C ATOM 53 O ARG A 47 -7.414 3.849 -8.924 1.00 0.00 O ATOM 54 CB ARG A 47 -5.979 3.485 -6.243 1.00 0.00 C ATOM 55 CG ARG A 47 -4.512 3.143 -6.050 1.00 0.00 C ATOM 56 CD ARG A 47 -4.223 1.681 -6.343 1.00 0.00 C ATOM 57 NE ARG A 47 -3.886 1.457 -7.754 1.00 0.00 N ATOM 58 CZ ARG A 47 -2.826 1.979 -8.365 1.00 0.00 C ATOM 59 NH1 ARG A 47 -1.978 2.743 -7.703 1.00 0.00 N ATOM 60 NH2 ARG A 47 -2.615 1.729 -9.642 1.00 0.00 N ATOM 0 H ARG A 47 -7.096 5.981 -5.617 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.352 4.907 -7.744 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.449 3.611 -5.267 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.480 2.650 -6.732 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.905 3.770 -6.703 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.219 3.372 -5.026 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.399 1.342 -5.716 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.093 1.080 -6.079 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.506 0.861 -8.303 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.132 2.938 -6.714 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.168 3.139 -8.180 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.264 1.136 -10.160 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.803 2.128 -10.112 1.00 0.00 H new ATOM 74 N THR A 48 -8.517 5.284 -7.587 1.00 0.00 N ATOM 75 CA THR A 48 -9.780 5.240 -8.334 1.00 0.00 C ATOM 76 C THR A 48 -10.158 3.815 -8.762 1.00 0.00 C ATOM 77 O THR A 48 -10.513 3.576 -9.920 1.00 0.00 O ATOM 78 CB THR A 48 -9.715 6.170 -9.557 1.00 0.00 C ATOM 79 OG1 THR A 48 -9.073 5.541 -10.653 1.00 0.00 O ATOM 80 CG2 THR A 48 -8.980 7.467 -9.292 1.00 0.00 C ATOM 0 H THR A 48 -8.543 5.894 -6.770 1.00 0.00 H new ATOM 0 HA THR A 48 -10.562 5.590 -7.660 1.00 0.00 H new ATOM 0 HB THR A 48 -10.757 6.393 -9.786 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.562 4.727 -10.896 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.973 8.073 -10.198 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.482 8.013 -8.494 1.00 0.00 H new ATOM 0 HG23 THR A 48 -7.955 7.250 -8.993 1.00 0.00 H new ATOM 88 N THR A 49 -10.107 2.882 -7.813 1.00 0.00 N ATOM 89 CA THR A 49 -10.470 1.483 -8.065 1.00 0.00 C ATOM 90 C THR A 49 -9.773 0.901 -9.308 1.00 0.00 C ATOM 91 O THR A 49 -10.359 0.107 -10.046 1.00 0.00 O ATOM 92 CB THR A 49 -11.990 1.393 -8.206 1.00 0.00 C ATOM 93 OG1 THR A 49 -12.622 1.990 -7.082 1.00 0.00 O ATOM 94 CG2 THR A 49 -12.513 -0.024 -8.341 1.00 0.00 C ATOM 0 H THR A 49 -9.816 3.069 -6.854 1.00 0.00 H new ATOM 0 HA THR A 49 -10.129 0.884 -7.221 1.00 0.00 H new ATOM 0 HB THR A 49 -12.227 1.922 -9.129 1.00 0.00 H new ATOM 0 HG1 THR A 49 -13.392 1.447 -6.813 1.00 0.00 H new ATOM 0 HG21 THR A 49 -13.599 -0.004 -8.436 1.00 0.00 H new ATOM 0 HG22 THR A 49 -12.080 -0.489 -9.226 1.00 0.00 H new ATOM 0 HG23 THR A 49 -12.237 -0.599 -7.457 1.00 0.00 H new ATOM 102 N ILE A 50 -8.516 1.284 -9.531 1.00 0.00 N ATOM 103 CA ILE A 50 -7.756 0.781 -10.682 1.00 0.00 C ATOM 104 C ILE A 50 -7.607 -0.747 -10.635 1.00 0.00 C ATOM 105 O ILE A 50 -7.533 -1.401 -11.674 1.00 0.00 O ATOM 106 CB ILE A 50 -6.355 1.443 -10.762 1.00 0.00 C ATOM 107 CG1 ILE A 50 -6.460 2.832 -11.400 1.00 0.00 C ATOM 108 CG2 ILE A 50 -5.375 0.574 -11.544 1.00 0.00 C ATOM 109 CD1 ILE A 50 -6.610 2.807 -12.907 1.00 0.00 C ATOM 0 H ILE A 50 -8.003 1.935 -8.937 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.321 1.045 -11.576 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.974 1.547 -9.746 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.313 3.355 -10.969 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.570 3.407 -11.143 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.403 1.066 -11.582 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.274 -0.393 -11.052 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -5.747 0.428 -12.558 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.678 3.828 -13.283 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.745 2.314 -13.351 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.515 2.261 -13.174 1.00 0.00 H new ATOM 121 N GLY A 51 -7.563 -1.304 -9.424 1.00 0.00 N ATOM 122 CA GLY A 51 -7.416 -2.750 -9.263 1.00 0.00 C ATOM 123 C GLY A 51 -8.709 -3.537 -9.460 1.00 0.00 C ATOM 124 O GLY A 51 -8.685 -4.767 -9.430 1.00 0.00 O ATOM 0 H GLY A 51 -7.626 -0.782 -8.550 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.673 -3.110 -9.975 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.027 -2.955 -8.266 1.00 0.00 H new ATOM 128 N ASN A 52 -9.832 -2.840 -9.663 1.00 0.00 N ATOM 129 CA ASN A 52 -11.126 -3.496 -9.864 1.00 0.00 C ATOM 130 C ASN A 52 -11.538 -4.330 -8.640 1.00 0.00 C ATOM 131 O ASN A 52 -10.792 -4.447 -7.666 1.00 0.00 O ATOM 132 CB ASN A 52 -11.083 -4.375 -11.119 1.00 0.00 C ATOM 133 CG ASN A 52 -10.362 -3.715 -12.281 1.00 0.00 C ATOM 134 OD1 ASN A 52 -9.271 -4.128 -12.661 1.00 0.00 O ATOM 135 ND2 ASN A 52 -10.970 -2.686 -12.853 1.00 0.00 N ATOM 0 H ASN A 52 -9.870 -1.821 -9.692 1.00 0.00 H new ATOM 0 HA ASN A 52 -11.877 -2.717 -9.998 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.589 -5.317 -10.880 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -12.102 -4.617 -11.421 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.531 -2.207 -13.639 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -11.877 -2.373 -12.507 1.00 0.00 H new ATOM 142 N PHE A 53 -12.737 -4.907 -8.697 1.00 0.00 N ATOM 143 CA PHE A 53 -13.252 -5.725 -7.595 1.00 0.00 C ATOM 144 C PHE A 53 -13.654 -7.121 -8.075 1.00 0.00 C ATOM 145 O PHE A 53 -13.872 -7.345 -9.270 1.00 0.00 O ATOM 146 CB PHE A 53 -14.448 -5.032 -6.923 1.00 0.00 C ATOM 147 CG PHE A 53 -15.288 -4.205 -7.859 1.00 0.00 C ATOM 148 CD1 PHE A 53 -14.925 -2.904 -8.173 1.00 0.00 C ATOM 149 CD2 PHE A 53 -16.439 -4.730 -8.425 1.00 0.00 C ATOM 150 CE1 PHE A 53 -15.693 -2.143 -9.034 1.00 0.00 C ATOM 151 CE2 PHE A 53 -17.211 -3.973 -9.286 1.00 0.00 C ATOM 152 CZ PHE A 53 -16.838 -2.678 -9.590 1.00 0.00 C ATOM 0 H PHE A 53 -13.371 -4.825 -9.492 1.00 0.00 H new ATOM 0 HA PHE A 53 -12.451 -5.837 -6.865 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -15.080 -5.790 -6.460 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -14.079 -4.392 -6.122 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -14.031 -2.480 -7.739 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -16.736 -5.742 -8.191 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -15.398 -1.132 -9.271 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -18.106 -4.394 -9.721 1.00 0.00 H new ATOM 0 HZ PHE A 53 -17.441 -2.085 -10.262 1.00 0.00 H new ATOM 162 N SER A 54 -13.755 -8.059 -7.129 1.00 0.00 N ATOM 163 CA SER A 54 -14.135 -9.440 -7.437 1.00 0.00 C ATOM 164 C SER A 54 -14.201 -10.300 -6.170 1.00 0.00 C ATOM 165 O SER A 54 -13.248 -11.004 -5.832 1.00 0.00 O ATOM 166 CB SER A 54 -13.161 -10.059 -8.448 1.00 0.00 C ATOM 167 OG SER A 54 -13.563 -9.778 -9.779 1.00 0.00 O ATOM 0 H SER A 54 -13.578 -7.886 -6.140 1.00 0.00 H new ATOM 0 HA SER A 54 -15.131 -9.414 -7.879 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.158 -9.669 -8.277 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.113 -11.138 -8.299 1.00 0.00 H new ATOM 0 HG SER A 54 -13.746 -8.820 -9.870 1.00 0.00 H new ATOM 173 N GLY A 55 -15.340 -10.229 -5.479 1.00 0.00 N ATOM 174 CA GLY A 55 -15.541 -10.999 -4.255 1.00 0.00 C ATOM 175 C GLY A 55 -17.010 -11.296 -3.995 1.00 0.00 C ATOM 176 O GLY A 55 -17.823 -11.253 -4.923 1.00 0.00 O ATOM 0 H GLY A 55 -16.134 -9.647 -5.747 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.990 -11.937 -4.324 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.129 -10.448 -3.410 1.00 0.00 H new ATOM 180 N PRO A 56 -17.391 -11.603 -2.735 1.00 0.00 N ATOM 181 CA PRO A 56 -18.786 -11.908 -2.383 1.00 0.00 C ATOM 182 C PRO A 56 -19.708 -10.687 -2.509 1.00 0.00 C ATOM 183 O PRO A 56 -20.180 -10.140 -1.508 1.00 0.00 O ATOM 184 CB PRO A 56 -18.694 -12.386 -0.929 1.00 0.00 C ATOM 185 CG PRO A 56 -17.447 -11.770 -0.401 1.00 0.00 C ATOM 186 CD PRO A 56 -16.497 -11.683 -1.564 1.00 0.00 C ATOM 0 HA PRO A 56 -19.223 -12.648 -3.054 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -19.565 -12.071 -0.354 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -18.652 -13.474 -0.873 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -17.646 -10.782 0.014 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -17.025 -12.374 0.402 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -15.852 -10.807 -1.491 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -15.845 -12.555 -1.616 1.00 0.00 H new ATOM 194 N TYR A 57 -19.948 -10.280 -3.760 1.00 0.00 N ATOM 195 CA TYR A 57 -20.809 -9.136 -4.097 1.00 0.00 C ATOM 196 C TYR A 57 -20.944 -8.113 -2.961 1.00 0.00 C ATOM 197 O TYR A 57 -22.044 -7.871 -2.458 1.00 0.00 O ATOM 198 CB TYR A 57 -22.193 -9.646 -4.515 1.00 0.00 C ATOM 199 CG TYR A 57 -22.770 -8.920 -5.708 1.00 0.00 C ATOM 200 CD1 TYR A 57 -23.351 -7.667 -5.566 1.00 0.00 C ATOM 201 CD2 TYR A 57 -22.734 -9.488 -6.974 1.00 0.00 C ATOM 202 CE1 TYR A 57 -23.880 -7.001 -6.656 1.00 0.00 C ATOM 203 CE2 TYR A 57 -23.260 -8.827 -8.066 1.00 0.00 C ATOM 204 CZ TYR A 57 -23.830 -7.585 -7.902 1.00 0.00 C ATOM 205 OH TYR A 57 -24.356 -6.926 -8.987 1.00 0.00 O ATOM 0 H TYR A 57 -19.547 -10.739 -4.578 1.00 0.00 H new ATOM 0 HA TYR A 57 -20.329 -8.610 -4.922 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -22.125 -10.709 -4.745 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -22.878 -9.545 -3.673 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -23.390 -7.206 -4.590 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -22.287 -10.462 -7.107 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -24.330 -6.027 -6.531 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -23.224 -9.282 -9.045 1.00 0.00 H new ATOM 0 HH TYR A 57 -24.239 -7.474 -9.791 1.00 0.00 H new ATOM 215 N THR A 58 -19.828 -7.503 -2.565 1.00 0.00 N ATOM 216 CA THR A 58 -19.852 -6.507 -1.500 1.00 0.00 C ATOM 217 C THR A 58 -18.947 -5.314 -1.832 1.00 0.00 C ATOM 218 O THR A 58 -19.341 -4.458 -2.627 1.00 0.00 O ATOM 219 CB THR A 58 -19.492 -7.153 -0.157 1.00 0.00 C ATOM 220 OG1 THR A 58 -18.699 -8.310 -0.350 1.00 0.00 O ATOM 221 CG2 THR A 58 -20.708 -7.573 0.633 1.00 0.00 C ATOM 0 H THR A 58 -18.905 -7.680 -2.962 1.00 0.00 H new ATOM 0 HA THR A 58 -20.865 -6.114 -1.415 1.00 0.00 H new ATOM 0 HB THR A 58 -18.947 -6.389 0.397 1.00 0.00 H new ATOM 0 HG1 THR A 58 -19.279 -9.074 -0.553 1.00 0.00 H new ATOM 0 HG21 THR A 58 -20.393 -8.024 1.574 1.00 0.00 H new ATOM 0 HG22 THR A 58 -21.328 -6.700 0.839 1.00 0.00 H new ATOM 0 HG23 THR A 58 -21.283 -8.299 0.058 1.00 0.00 H new ATOM 229 N TYR A 59 -17.748 -5.233 -1.232 1.00 0.00 N ATOM 230 CA TYR A 59 -16.847 -4.108 -1.494 1.00 0.00 C ATOM 231 C TYR A 59 -15.566 -4.137 -0.641 1.00 0.00 C ATOM 232 O TYR A 59 -15.534 -4.709 0.444 1.00 0.00 O ATOM 233 CB TYR A 59 -17.583 -2.799 -1.213 1.00 0.00 C ATOM 234 CG TYR A 59 -18.532 -2.870 -0.033 1.00 0.00 C ATOM 235 CD1 TYR A 59 -18.067 -3.187 1.237 1.00 0.00 C ATOM 236 CD2 TYR A 59 -19.890 -2.622 -0.190 1.00 0.00 C ATOM 237 CE1 TYR A 59 -18.927 -3.257 2.317 1.00 0.00 C ATOM 238 CE2 TYR A 59 -20.757 -2.691 0.886 1.00 0.00 C ATOM 239 CZ TYR A 59 -20.270 -3.007 2.135 1.00 0.00 C ATOM 240 OH TYR A 59 -21.130 -3.078 3.206 1.00 0.00 O ATOM 0 H TYR A 59 -17.388 -5.923 -0.573 1.00 0.00 H new ATOM 0 HA TYR A 59 -16.546 -4.188 -2.538 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -16.850 -2.013 -1.031 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -18.145 -2.511 -2.102 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -17.015 -3.382 1.383 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -20.275 -2.371 -1.167 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -18.549 -3.506 3.297 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -21.811 -2.498 0.747 1.00 0.00 H new ATOM 0 HH TYR A 59 -22.041 -2.873 2.908 1.00 0.00 H new ATOM 250 N CYS A 60 -14.529 -3.467 -1.148 1.00 0.00 N ATOM 251 CA CYS A 60 -13.231 -3.341 -0.464 1.00 0.00 C ATOM 252 C CYS A 60 -12.496 -2.117 -1.006 1.00 0.00 C ATOM 253 O CYS A 60 -11.647 -2.235 -1.888 1.00 0.00 O ATOM 254 CB CYS A 60 -12.364 -4.591 -0.658 1.00 0.00 C ATOM 255 SG CYS A 60 -12.528 -5.830 0.671 1.00 0.00 S ATOM 0 H CYS A 60 -14.562 -2.992 -2.050 1.00 0.00 H new ATOM 0 HA CYS A 60 -13.418 -3.229 0.604 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -12.626 -5.057 -1.608 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -11.320 -4.287 -0.729 1.00 0.00 H new ATOM 260 N ASN A 61 -12.855 -0.943 -0.490 1.00 0.00 N ATOM 261 CA ASN A 61 -12.266 0.328 -0.932 1.00 0.00 C ATOM 262 C ASN A 61 -10.744 0.344 -0.843 1.00 0.00 C ATOM 263 O ASN A 61 -10.125 -0.556 -0.264 1.00 0.00 O ATOM 264 CB ASN A 61 -12.824 1.491 -0.106 1.00 0.00 C ATOM 265 CG ASN A 61 -12.702 1.254 1.386 1.00 0.00 C ATOM 266 OD1 ASN A 61 -13.667 0.872 2.040 1.00 0.00 O ATOM 267 ND2 ASN A 61 -11.512 1.466 1.933 1.00 0.00 N ATOM 0 H ASN A 61 -13.558 -0.842 0.242 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.538 0.440 -1.982 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.295 2.407 -0.370 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -13.872 1.644 -0.362 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -11.375 1.311 2.932 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.734 1.784 1.355 1.00 0.00 H new ATOM 274 N THR A 62 -10.154 1.402 -1.406 1.00 0.00 N ATOM 275 CA THR A 62 -8.708 1.587 -1.380 1.00 0.00 C ATOM 276 C THR A 62 -8.193 1.456 0.045 1.00 0.00 C ATOM 277 O THR A 62 -8.876 1.850 0.993 1.00 0.00 O ATOM 278 CB THR A 62 -8.318 2.956 -1.930 1.00 0.00 C ATOM 279 OG1 THR A 62 -9.437 3.819 -2.013 1.00 0.00 O ATOM 280 CG2 THR A 62 -7.690 2.901 -3.299 1.00 0.00 C ATOM 0 H THR A 62 -10.662 2.145 -1.887 1.00 0.00 H new ATOM 0 HA THR A 62 -8.261 0.817 -2.009 1.00 0.00 H new ATOM 0 HB THR A 62 -7.582 3.335 -1.221 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.154 4.688 -2.367 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.439 3.910 -3.625 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.784 2.297 -3.260 1.00 0.00 H new ATOM 0 HG23 THR A 62 -8.392 2.456 -4.004 1.00 0.00 H new ATOM 288 N THR A 63 -7.001 0.901 0.199 1.00 0.00 N ATOM 289 CA THR A 63 -6.424 0.719 1.523 1.00 0.00 C ATOM 290 C THR A 63 -4.956 1.121 1.559 1.00 0.00 C ATOM 291 O THR A 63 -4.234 0.967 0.572 1.00 0.00 O ATOM 292 CB THR A 63 -6.615 -0.732 1.961 1.00 0.00 C ATOM 293 OG1 THR A 63 -7.277 -0.774 3.216 1.00 0.00 O ATOM 294 CG2 THR A 63 -5.334 -1.530 2.078 1.00 0.00 C ATOM 0 H THR A 63 -6.417 0.571 -0.570 1.00 0.00 H new ATOM 0 HA THR A 63 -6.942 1.374 2.223 1.00 0.00 H new ATOM 0 HB THR A 63 -7.207 -1.193 1.170 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.839 -1.576 3.263 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.566 -2.547 2.394 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.832 -1.556 1.111 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.680 -1.062 2.814 1.00 0.00 H new ATOM 302 N LEU A 64 -4.521 1.632 2.703 1.00 0.00 N ATOM 303 CA LEU A 64 -3.138 2.052 2.866 1.00 0.00 C ATOM 304 C LEU A 64 -2.332 1.023 3.655 1.00 0.00 C ATOM 305 O LEU A 64 -2.882 0.075 4.218 1.00 0.00 O ATOM 306 CB LEU A 64 -3.073 3.417 3.554 1.00 0.00 C ATOM 307 CG LEU A 64 -2.227 4.464 2.827 1.00 0.00 C ATOM 308 CD1 LEU A 64 -3.117 5.496 2.157 1.00 0.00 C ATOM 309 CD2 LEU A 64 -1.266 5.138 3.792 1.00 0.00 C ATOM 0 H LEU A 64 -5.105 1.765 3.529 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.696 2.134 1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.087 3.802 3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.674 3.282 4.559 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.644 3.959 2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.498 6.233 1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.766 5.002 1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.726 5.995 2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.673 5.879 3.257 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.831 5.629 4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.604 4.390 4.228 1.00 0.00 H new ATOM 321 N ASP A 65 -1.025 1.230 3.678 1.00 0.00 N ATOM 322 CA ASP A 65 -0.104 0.345 4.377 1.00 0.00 C ATOM 323 C ASP A 65 0.898 1.169 5.186 1.00 0.00 C ATOM 324 O ASP A 65 1.410 2.175 4.694 1.00 0.00 O ATOM 325 CB ASP A 65 0.631 -0.523 3.350 1.00 0.00 C ATOM 326 CG ASP A 65 0.462 -2.009 3.578 1.00 0.00 C ATOM 327 OD1 ASP A 65 0.574 -2.447 4.739 1.00 0.00 O ATOM 328 OD2 ASP A 65 0.238 -2.738 2.585 1.00 0.00 O ATOM 0 H ASP A 65 -0.572 2.016 3.213 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.659 -0.296 5.063 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.270 -0.274 2.352 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.693 -0.279 3.375 1.00 0.00 H new ATOM 333 N GLN A 66 1.185 0.743 6.415 1.00 0.00 N ATOM 334 CA GLN A 66 2.139 1.458 7.272 1.00 0.00 C ATOM 335 C GLN A 66 3.460 1.729 6.530 1.00 0.00 C ATOM 336 O GLN A 66 4.124 2.739 6.770 1.00 0.00 O ATOM 337 CB GLN A 66 2.390 0.661 8.555 1.00 0.00 C ATOM 338 CG GLN A 66 2.305 1.508 9.819 1.00 0.00 C ATOM 339 CD GLN A 66 1.019 1.287 10.600 1.00 0.00 C ATOM 340 OE1 GLN A 66 0.084 0.650 10.120 1.00 0.00 O ATOM 341 NE2 GLN A 66 0.967 1.815 11.814 1.00 0.00 N ATOM 0 H GLN A 66 0.775 -0.088 6.841 1.00 0.00 H new ATOM 0 HA GLN A 66 1.707 2.423 7.536 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.663 -0.149 8.619 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.376 0.200 8.501 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.156 1.279 10.460 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.383 2.561 9.549 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.764 2.337 12.178 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.130 1.699 12.385 1.00 0.00 H new ATOM 350 N ILE A 67 3.810 0.823 5.614 1.00 0.00 N ATOM 351 CA ILE A 67 5.025 0.942 4.799 1.00 0.00 C ATOM 352 C ILE A 67 4.873 2.023 3.710 1.00 0.00 C ATOM 353 O ILE A 67 5.861 2.469 3.123 1.00 0.00 O ATOM 354 CB ILE A 67 5.346 -0.422 4.124 1.00 0.00 C ATOM 355 CG1 ILE A 67 6.159 -1.309 5.063 1.00 0.00 C ATOM 356 CG2 ILE A 67 6.090 -0.242 2.807 1.00 0.00 C ATOM 357 CD1 ILE A 67 6.272 -2.740 4.581 1.00 0.00 C ATOM 0 H ILE A 67 3.261 -0.013 5.415 1.00 0.00 H new ATOM 0 HA ILE A 67 5.840 1.233 5.461 1.00 0.00 H new ATOM 0 HB ILE A 67 4.393 -0.906 3.908 1.00 0.00 H new ATOM 0 HG12 ILE A 67 7.159 -0.890 5.174 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.698 -1.300 6.051 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.295 -1.219 2.368 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.478 0.343 2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.030 0.279 2.988 1.00 0.00 H new ATOM 0 HD11 ILE A 67 6.862 -3.318 5.293 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.276 -3.175 4.497 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.760 -2.758 3.606 1.00 0.00 H new ATOM 369 N GLY A 68 3.631 2.419 3.433 1.00 0.00 N ATOM 370 CA GLY A 68 3.363 3.413 2.404 1.00 0.00 C ATOM 371 C GLY A 68 2.798 2.781 1.140 1.00 0.00 C ATOM 372 O GLY A 68 2.948 3.322 0.045 1.00 0.00 O ATOM 0 H GLY A 68 2.800 2.066 3.907 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.659 4.152 2.787 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.284 3.945 2.164 1.00 0.00 H new ATOM 376 N THR A 69 2.150 1.625 1.298 1.00 0.00 N ATOM 377 CA THR A 69 1.564 0.902 0.171 1.00 0.00 C ATOM 378 C THR A 69 0.081 1.241 0.008 1.00 0.00 C ATOM 379 O THR A 69 -0.685 1.209 0.970 1.00 0.00 O ATOM 380 CB THR A 69 1.738 -0.614 0.357 1.00 0.00 C ATOM 381 OG1 THR A 69 3.077 -0.935 0.694 1.00 0.00 O ATOM 382 CG2 THR A 69 1.377 -1.419 -0.872 1.00 0.00 C ATOM 0 H THR A 69 2.018 1.169 2.201 1.00 0.00 H new ATOM 0 HA THR A 69 2.088 1.213 -0.733 1.00 0.00 H new ATOM 0 HB THR A 69 1.052 -0.877 1.162 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.162 -1.905 0.809 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.524 -2.480 -0.668 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.333 -1.240 -1.130 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.013 -1.118 -1.704 1.00 0.00 H new ATOM 390 N CYS A 70 -0.318 1.560 -1.217 1.00 0.00 N ATOM 391 CA CYS A 70 -1.713 1.894 -1.508 1.00 0.00 C ATOM 392 C CYS A 70 -2.388 0.744 -2.250 1.00 0.00 C ATOM 393 O CYS A 70 -1.923 0.325 -3.317 1.00 0.00 O ATOM 394 CB CYS A 70 -1.791 3.182 -2.328 1.00 0.00 C ATOM 395 SG CYS A 70 -3.435 3.519 -3.034 1.00 0.00 S ATOM 0 H CYS A 70 0.301 1.595 -2.027 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.239 2.053 -0.566 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.501 4.021 -1.695 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.064 3.128 -3.138 1.00 0.00 H new ATOM 400 N TRP A 71 -3.470 0.224 -1.669 1.00 0.00 N ATOM 401 CA TRP A 71 -4.207 -0.896 -2.251 1.00 0.00 C ATOM 402 C TRP A 71 -5.538 -0.433 -2.855 1.00 0.00 C ATOM 403 O TRP A 71 -6.356 0.184 -2.175 1.00 0.00 O ATOM 404 CB TRP A 71 -4.403 -1.980 -1.187 1.00 0.00 C ATOM 405 CG TRP A 71 -3.088 -2.520 -0.699 1.00 0.00 C ATOM 406 CD1 TRP A 71 -2.451 -2.227 0.478 1.00 0.00 C ATOM 407 CD2 TRP A 71 -2.231 -3.429 -1.397 1.00 0.00 C ATOM 408 NE1 TRP A 71 -1.254 -2.884 0.539 1.00 0.00 N ATOM 409 CE2 TRP A 71 -1.099 -3.627 -0.595 1.00 0.00 C ATOM 410 CE3 TRP A 71 -2.306 -4.096 -2.623 1.00 0.00 C ATOM 411 CZ2 TRP A 71 -0.059 -4.449 -0.978 1.00 0.00 C ATOM 412 CZ3 TRP A 71 -1.270 -4.923 -2.997 1.00 0.00 C ATOM 413 CH2 TRP A 71 -0.159 -5.091 -2.178 1.00 0.00 C ATOM 0 H TRP A 71 -3.857 0.565 -0.789 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.629 -1.320 -3.072 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -4.963 -1.569 -0.347 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -5.000 -2.793 -1.600 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.838 -1.573 1.245 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -0.585 -2.828 1.307 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -3.163 -3.965 -3.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 0.808 -4.580 -0.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -1.321 -5.448 -3.939 1.00 0.00 H new ATOM 0 HH2 TRP A 71 0.641 -5.743 -2.498 1.00 0.00 H new ATOM 424 N PRO A 72 -5.746 -0.701 -4.165 1.00 0.00 N ATOM 425 CA PRO A 72 -6.960 -0.288 -4.898 1.00 0.00 C ATOM 426 C PRO A 72 -8.260 -0.930 -4.400 1.00 0.00 C ATOM 427 O PRO A 72 -8.258 -2.014 -3.822 1.00 0.00 O ATOM 428 CB PRO A 72 -6.682 -0.734 -6.338 1.00 0.00 C ATOM 429 CG PRO A 72 -5.632 -1.782 -6.227 1.00 0.00 C ATOM 430 CD PRO A 72 -4.791 -1.402 -5.046 1.00 0.00 C ATOM 0 HA PRO A 72 -7.128 0.781 -4.770 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.583 -1.128 -6.809 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.341 0.101 -6.950 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.077 -2.767 -6.088 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.031 -1.829 -7.135 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.361 -2.277 -4.559 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.960 -0.757 -5.334 1.00 0.00 H new ATOM 438 N GLN A 73 -9.371 -0.235 -4.655 1.00 0.00 N ATOM 439 CA GLN A 73 -10.700 -0.694 -4.264 1.00 0.00 C ATOM 440 C GLN A 73 -11.084 -1.990 -4.983 1.00 0.00 C ATOM 441 O GLN A 73 -11.227 -2.020 -6.205 1.00 0.00 O ATOM 442 CB GLN A 73 -11.730 0.398 -4.569 1.00 0.00 C ATOM 443 CG GLN A 73 -13.132 0.088 -4.064 1.00 0.00 C ATOM 444 CD GLN A 73 -14.110 -0.215 -5.183 1.00 0.00 C ATOM 445 OE1 GLN A 73 -14.330 0.607 -6.072 1.00 0.00 O ATOM 446 NE2 GLN A 73 -14.706 -1.396 -5.146 1.00 0.00 N ATOM 0 H GLN A 73 -9.371 0.663 -5.139 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.686 -0.901 -3.194 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.394 1.334 -4.124 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.770 0.554 -5.647 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.088 -0.764 -3.386 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -13.500 0.936 -3.486 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -14.496 -2.050 -4.392 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.375 -1.653 -5.872 1.00 0.00 H new ATOM 455 N SER A 74 -11.266 -3.046 -4.203 1.00 0.00 N ATOM 456 CA SER A 74 -11.652 -4.352 -4.730 1.00 0.00 C ATOM 457 C SER A 74 -12.826 -4.923 -3.919 1.00 0.00 C ATOM 458 O SER A 74 -13.713 -4.171 -3.507 1.00 0.00 O ATOM 459 CB SER A 74 -10.443 -5.293 -4.718 1.00 0.00 C ATOM 460 OG SER A 74 -10.386 -6.052 -5.916 1.00 0.00 O ATOM 0 H SER A 74 -11.151 -3.024 -3.190 1.00 0.00 H new ATOM 0 HA SER A 74 -11.985 -4.247 -5.762 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.526 -4.714 -4.604 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.505 -5.962 -3.860 1.00 0.00 H new ATOM 0 HG SER A 74 -10.161 -5.463 -6.666 1.00 0.00 H new ATOM 466 N ALA A 75 -12.838 -6.238 -3.687 1.00 0.00 N ATOM 467 CA ALA A 75 -13.908 -6.876 -2.916 1.00 0.00 C ATOM 468 C ALA A 75 -13.338 -7.876 -1.899 1.00 0.00 C ATOM 469 O ALA A 75 -12.209 -8.348 -2.046 1.00 0.00 O ATOM 470 CB ALA A 75 -14.891 -7.561 -3.857 1.00 0.00 C ATOM 0 H ALA A 75 -12.120 -6.881 -4.021 1.00 0.00 H new ATOM 0 HA ALA A 75 -14.437 -6.104 -2.357 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -15.683 -8.033 -3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -15.326 -6.822 -4.530 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -14.368 -8.319 -4.440 1.00 0.00 H new ATOM 476 N PRO A 76 -14.112 -8.208 -0.845 1.00 0.00 N ATOM 477 CA PRO A 76 -13.680 -9.150 0.200 1.00 0.00 C ATOM 478 C PRO A 76 -13.295 -10.523 -0.360 1.00 0.00 C ATOM 479 O PRO A 76 -13.739 -10.910 -1.442 1.00 0.00 O ATOM 480 CB PRO A 76 -14.907 -9.271 1.116 1.00 0.00 C ATOM 481 CG PRO A 76 -16.044 -8.725 0.327 1.00 0.00 C ATOM 482 CD PRO A 76 -15.461 -7.688 -0.580 1.00 0.00 C ATOM 0 HA PRO A 76 -12.785 -8.794 0.710 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -15.086 -10.309 1.397 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -14.765 -8.710 2.040 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -16.534 -9.512 -0.246 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -16.799 -8.290 0.982 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -16.040 -7.581 -1.497 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -15.430 -6.707 -0.106 1.00 0.00 H new ATOM 490 N GLY A 77 -12.462 -11.252 0.386 1.00 0.00 N ATOM 491 CA GLY A 77 -12.027 -12.577 -0.046 1.00 0.00 C ATOM 492 C GLY A 77 -11.241 -12.564 -1.350 1.00 0.00 C ATOM 493 O GLY A 77 -11.157 -13.586 -2.032 1.00 0.00 O ATOM 0 H GLY A 77 -12.080 -10.949 1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.411 -13.021 0.736 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.901 -13.217 -0.165 1.00 0.00 H new ATOM 497 N ALA A 78 -10.662 -11.414 -1.695 1.00 0.00 N ATOM 498 CA ALA A 78 -9.879 -11.289 -2.921 1.00 0.00 C ATOM 499 C ALA A 78 -8.383 -11.282 -2.620 1.00 0.00 C ATOM 500 O ALA A 78 -7.897 -10.431 -1.865 1.00 0.00 O ATOM 501 CB ALA A 78 -10.272 -10.024 -3.675 1.00 0.00 C ATOM 0 H ALA A 78 -10.721 -10.558 -1.143 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.094 -12.154 -3.548 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.680 -9.945 -4.587 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -11.330 -10.068 -3.933 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -10.088 -9.153 -3.046 1.00 0.00 H new ATOM 507 N LEU A 79 -7.653 -12.221 -3.216 1.00 0.00 N ATOM 508 CA LEU A 79 -6.210 -12.302 -3.012 1.00 0.00 C ATOM 509 C LEU A 79 -5.502 -11.200 -3.791 1.00 0.00 C ATOM 510 O LEU A 79 -4.938 -11.431 -4.861 1.00 0.00 O ATOM 511 CB LEU A 79 -5.684 -13.684 -3.421 1.00 0.00 C ATOM 512 CG LEU A 79 -4.226 -13.961 -3.047 1.00 0.00 C ATOM 513 CD1 LEU A 79 -4.083 -14.147 -1.545 1.00 0.00 C ATOM 514 CD2 LEU A 79 -3.713 -15.188 -3.783 1.00 0.00 C ATOM 0 H LEU A 79 -8.034 -12.932 -3.840 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.001 -12.161 -1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.312 -14.446 -2.959 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.793 -13.792 -4.500 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.627 -13.101 -3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.039 -14.343 -1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.412 -13.243 -1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.695 -14.989 -1.223 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.675 -15.371 -3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.318 -16.053 -3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.777 -15.021 -4.858 1.00 0.00 H new ATOM 526 N VAL A 80 -5.546 -9.992 -3.242 1.00 0.00 N ATOM 527 CA VAL A 80 -4.920 -8.839 -3.873 1.00 0.00 C ATOM 528 C VAL A 80 -3.393 -8.962 -3.830 1.00 0.00 C ATOM 529 O VAL A 80 -2.755 -8.701 -2.803 1.00 0.00 O ATOM 530 CB VAL A 80 -5.382 -7.521 -3.213 1.00 0.00 C ATOM 531 CG1 VAL A 80 -4.750 -6.326 -3.900 1.00 0.00 C ATOM 532 CG2 VAL A 80 -6.900 -7.411 -3.254 1.00 0.00 C ATOM 0 H VAL A 80 -6.011 -9.786 -2.358 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.234 -8.817 -4.917 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.059 -7.529 -2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.089 -5.408 -3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.665 -6.395 -3.825 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.041 -6.314 -4.950 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.210 -6.477 -2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -7.238 -7.427 -4.290 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -7.340 -8.251 -2.716 1.00 0.00 H new ATOM 542 N GLU A 81 -2.830 -9.399 -4.959 1.00 0.00 N ATOM 543 CA GLU A 81 -1.387 -9.609 -5.096 1.00 0.00 C ATOM 544 C GLU A 81 -0.656 -8.356 -5.589 1.00 0.00 C ATOM 545 O GLU A 81 -1.251 -7.479 -6.218 1.00 0.00 O ATOM 546 CB GLU A 81 -1.130 -10.760 -6.069 1.00 0.00 C ATOM 547 CG GLU A 81 -1.125 -12.131 -5.414 1.00 0.00 C ATOM 548 CD GLU A 81 -1.006 -13.267 -6.416 1.00 0.00 C ATOM 549 OE1 GLU A 81 -0.023 -13.283 -7.184 1.00 0.00 O ATOM 550 OE2 GLU A 81 -1.891 -14.145 -6.422 1.00 0.00 O ATOM 0 H GLU A 81 -3.361 -9.617 -5.802 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.998 -9.848 -4.106 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.894 -10.743 -6.847 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.171 -10.600 -6.561 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.296 -12.188 -4.709 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.042 -12.256 -4.838 1.00 0.00 H new ATOM 557 N ARG A 82 0.649 -8.295 -5.304 1.00 0.00 N ATOM 558 CA ARG A 82 1.497 -7.169 -5.720 1.00 0.00 C ATOM 559 C ARG A 82 2.921 -7.330 -5.172 1.00 0.00 C ATOM 560 O ARG A 82 3.104 -7.654 -4.000 1.00 0.00 O ATOM 561 CB ARG A 82 0.889 -5.844 -5.245 1.00 0.00 C ATOM 562 CG ARG A 82 1.858 -4.667 -5.230 1.00 0.00 C ATOM 563 CD ARG A 82 1.440 -3.627 -4.202 1.00 0.00 C ATOM 564 NE ARG A 82 1.929 -2.287 -4.537 1.00 0.00 N ATOM 565 CZ ARG A 82 1.218 -1.171 -4.396 1.00 0.00 C ATOM 566 NH1 ARG A 82 -0.011 -1.211 -3.900 1.00 0.00 N ATOM 567 NH2 ARG A 82 1.750 -0.013 -4.740 1.00 0.00 N ATOM 0 H ARG A 82 1.146 -9.018 -4.783 1.00 0.00 H new ATOM 0 HA ARG A 82 1.549 -7.161 -6.809 1.00 0.00 H new ATOM 0 HB2 ARG A 82 0.046 -5.595 -5.890 1.00 0.00 H new ATOM 0 HB3 ARG A 82 0.491 -5.982 -4.240 1.00 0.00 H new ATOM 0 HG2 ARG A 82 2.863 -5.022 -5.004 1.00 0.00 H new ATOM 0 HG3 ARG A 82 1.896 -4.210 -6.219 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.353 -3.607 -4.130 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.819 -3.915 -3.222 1.00 0.00 H new ATOM 0 HE ARG A 82 2.878 -2.204 -4.903 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -0.420 -2.103 -3.622 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -0.547 -0.350 -3.796 1.00 0.00 H new ATOM 0 HH21 ARG A 82 2.700 0.022 -5.111 1.00 0.00 H new ATOM 0 HH22 ARG A 82 1.212 0.847 -4.635 1.00 0.00 H new ATOM 581 N PRO A 83 3.955 -7.099 -6.012 1.00 0.00 N ATOM 582 CA PRO A 83 5.363 -7.219 -5.599 1.00 0.00 C ATOM 583 C PRO A 83 5.662 -6.475 -4.292 1.00 0.00 C ATOM 584 O PRO A 83 5.042 -5.454 -3.990 1.00 0.00 O ATOM 585 CB PRO A 83 6.144 -6.597 -6.771 1.00 0.00 C ATOM 586 CG PRO A 83 5.119 -5.940 -7.637 1.00 0.00 C ATOM 587 CD PRO A 83 3.844 -6.701 -7.420 1.00 0.00 C ATOM 0 HA PRO A 83 5.634 -8.255 -5.397 1.00 0.00 H new ATOM 0 HB2 PRO A 83 6.876 -5.873 -6.413 1.00 0.00 H new ATOM 0 HB3 PRO A 83 6.693 -7.359 -7.324 1.00 0.00 H new ATOM 0 HG2 PRO A 83 4.997 -4.890 -7.369 1.00 0.00 H new ATOM 0 HG3 PRO A 83 5.417 -5.969 -8.685 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.965 -6.082 -7.600 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.767 -7.564 -8.082 1.00 0.00 H new ATOM 595 N CYS A 84 6.613 -6.998 -3.518 1.00 0.00 N ATOM 596 CA CYS A 84 6.983 -6.382 -2.238 1.00 0.00 C ATOM 597 C CYS A 84 7.807 -5.112 -2.443 1.00 0.00 C ATOM 598 O CYS A 84 8.808 -5.127 -3.162 1.00 0.00 O ATOM 599 CB CYS A 84 7.787 -7.349 -1.355 1.00 0.00 C ATOM 600 SG CYS A 84 7.665 -9.110 -1.809 1.00 0.00 S ATOM 0 H CYS A 84 7.139 -7.840 -3.750 1.00 0.00 H new ATOM 0 HA CYS A 84 6.047 -6.131 -1.740 1.00 0.00 H new ATOM 0 HB2 CYS A 84 8.836 -7.055 -1.386 1.00 0.00 H new ATOM 0 HB3 CYS A 84 7.454 -7.234 -0.323 1.00 0.00 H new ATOM 605 N PRO A 85 7.421 -3.996 -1.790 1.00 0.00 N ATOM 606 CA PRO A 85 8.158 -2.725 -1.893 1.00 0.00 C ATOM 607 C PRO A 85 9.527 -2.802 -1.201 1.00 0.00 C ATOM 608 O PRO A 85 9.837 -2.027 -0.296 1.00 0.00 O ATOM 609 CB PRO A 85 7.235 -1.722 -1.191 1.00 0.00 C ATOM 610 CG PRO A 85 6.431 -2.541 -0.241 1.00 0.00 C ATOM 611 CD PRO A 85 6.255 -3.888 -0.891 1.00 0.00 C ATOM 0 HA PRO A 85 8.381 -2.452 -2.925 1.00 0.00 H new ATOM 0 HB2 PRO A 85 7.808 -0.958 -0.666 1.00 0.00 H new ATOM 0 HB3 PRO A 85 6.595 -1.206 -1.907 1.00 0.00 H new ATOM 0 HG2 PRO A 85 6.940 -2.635 0.718 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.466 -2.074 -0.045 1.00 0.00 H new ATOM 0 HD2 PRO A 85 6.242 -4.690 -0.153 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.317 -3.947 -1.443 1.00 0.00 H new ATOM 619 N GLU A 86 10.337 -3.761 -1.645 1.00 0.00 N ATOM 620 CA GLU A 86 11.676 -3.993 -1.100 1.00 0.00 C ATOM 621 C GLU A 86 12.665 -2.896 -1.508 1.00 0.00 C ATOM 622 O GLU A 86 13.737 -2.760 -0.912 1.00 0.00 O ATOM 623 CB GLU A 86 12.192 -5.346 -1.598 1.00 0.00 C ATOM 624 CG GLU A 86 12.474 -6.344 -0.494 1.00 0.00 C ATOM 625 CD GLU A 86 13.927 -6.345 -0.083 1.00 0.00 C ATOM 626 OE1 GLU A 86 14.749 -6.951 -0.806 1.00 0.00 O ATOM 627 OE2 GLU A 86 14.247 -5.764 0.972 1.00 0.00 O ATOM 0 H GLU A 86 10.083 -4.403 -2.396 1.00 0.00 H new ATOM 0 HA GLU A 86 11.599 -3.983 -0.013 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.458 -5.774 -2.281 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.105 -5.186 -2.171 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.854 -6.111 0.371 1.00 0.00 H new ATOM 0 HG3 GLU A 86 12.192 -7.342 -0.828 1.00 0.00 H new ATOM 634 N TYR A 87 12.318 -2.140 -2.546 1.00 0.00 N ATOM 635 CA TYR A 87 13.194 -1.088 -3.054 1.00 0.00 C ATOM 636 C TYR A 87 13.006 0.222 -2.282 1.00 0.00 C ATOM 637 O TYR A 87 12.466 1.193 -2.807 1.00 0.00 O ATOM 638 CB TYR A 87 12.948 -0.873 -4.559 1.00 0.00 C ATOM 639 CG TYR A 87 12.854 -2.152 -5.383 1.00 0.00 C ATOM 640 CD1 TYR A 87 13.052 -3.410 -4.813 1.00 0.00 C ATOM 641 CD2 TYR A 87 12.553 -2.097 -6.739 1.00 0.00 C ATOM 642 CE1 TYR A 87 12.953 -4.558 -5.569 1.00 0.00 C ATOM 643 CE2 TYR A 87 12.457 -3.251 -7.499 1.00 0.00 C ATOM 644 CZ TYR A 87 12.659 -4.476 -6.906 1.00 0.00 C ATOM 645 OH TYR A 87 12.572 -5.627 -7.654 1.00 0.00 O ATOM 0 H TYR A 87 11.437 -2.236 -3.052 1.00 0.00 H new ATOM 0 HA TYR A 87 14.225 -1.408 -2.907 1.00 0.00 H new ATOM 0 HB2 TYR A 87 12.024 -0.309 -4.684 1.00 0.00 H new ATOM 0 HB3 TYR A 87 13.754 -0.258 -4.960 1.00 0.00 H new ATOM 0 HD1 TYR A 87 13.287 -3.485 -3.762 1.00 0.00 H new ATOM 0 HD2 TYR A 87 12.391 -1.138 -7.208 1.00 0.00 H new ATOM 0 HE1 TYR A 87 13.107 -5.523 -5.108 1.00 0.00 H new ATOM 0 HE2 TYR A 87 12.225 -3.190 -8.552 1.00 0.00 H new ATOM 0 HH TYR A 87 11.631 -5.820 -7.850 1.00 0.00 H new ATOM 655 N PHE A 88 13.464 0.239 -1.031 1.00 0.00 N ATOM 656 CA PHE A 88 13.355 1.434 -0.186 1.00 0.00 C ATOM 657 C PHE A 88 14.672 2.225 -0.142 1.00 0.00 C ATOM 658 O PHE A 88 14.797 3.190 0.614 1.00 0.00 O ATOM 659 CB PHE A 88 12.938 1.039 1.233 1.00 0.00 C ATOM 660 CG PHE A 88 11.609 1.595 1.654 1.00 0.00 C ATOM 661 CD1 PHE A 88 11.380 2.962 1.649 1.00 0.00 C ATOM 662 CD2 PHE A 88 10.590 0.751 2.057 1.00 0.00 C ATOM 663 CE1 PHE A 88 10.156 3.476 2.039 1.00 0.00 C ATOM 664 CE2 PHE A 88 9.367 1.256 2.447 1.00 0.00 C ATOM 665 CZ PHE A 88 9.147 2.619 2.438 1.00 0.00 C ATOM 0 H PHE A 88 13.913 -0.557 -0.579 1.00 0.00 H new ATOM 0 HA PHE A 88 12.593 2.079 -0.625 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.904 -0.048 1.302 1.00 0.00 H new ATOM 0 HB3 PHE A 88 13.701 1.379 1.933 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.166 3.634 1.337 1.00 0.00 H new ATOM 0 HD2 PHE A 88 10.754 -0.316 2.066 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.989 4.543 2.032 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.581 0.585 2.760 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.189 3.015 2.742 1.00 0.00 H new ATOM 675 N ASN A 89 15.646 1.808 -0.952 1.00 0.00 N ATOM 676 CA ASN A 89 16.953 2.464 -1.009 1.00 0.00 C ATOM 677 C ASN A 89 17.649 2.177 -2.340 1.00 0.00 C ATOM 678 O ASN A 89 17.981 3.087 -3.098 1.00 0.00 O ATOM 679 CB ASN A 89 17.834 1.972 0.145 1.00 0.00 C ATOM 680 CG ASN A 89 18.702 3.072 0.718 1.00 0.00 C ATOM 681 OD1 ASN A 89 18.204 4.084 1.200 1.00 0.00 O ATOM 682 ND2 ASN A 89 20.011 2.884 0.664 1.00 0.00 N ATOM 0 H ASN A 89 15.553 1.012 -1.583 1.00 0.00 H new ATOM 0 HA ASN A 89 16.799 3.539 -0.921 1.00 0.00 H new ATOM 0 HB2 ASN A 89 17.201 1.564 0.933 1.00 0.00 H new ATOM 0 HB3 ASN A 89 18.468 1.159 -0.207 1.00 0.00 H new ATOM 0 HD21 ASN A 89 20.644 3.595 1.031 1.00 0.00 H new ATOM 0 HD22 ASN A 89 20.387 2.028 0.255 1.00 0.00 H new ATOM 689 N GLY A 90 17.864 0.892 -2.597 1.00 0.00 N ATOM 690 CA GLY A 90 18.519 0.449 -3.820 1.00 0.00 C ATOM 691 C GLY A 90 18.883 -1.021 -3.751 1.00 0.00 C ATOM 692 O GLY A 90 19.996 -1.410 -4.098 1.00 0.00 O ATOM 0 H GLY A 90 17.592 0.135 -1.970 1.00 0.00 H new ATOM 0 HA2 GLY A 90 17.860 0.623 -4.671 1.00 0.00 H new ATOM 0 HA3 GLY A 90 19.419 1.041 -3.988 1.00 0.00 H new ATOM 696 N ILE A 91 17.932 -1.829 -3.280 1.00 0.00 N ATOM 697 CA ILE A 91 18.126 -3.269 -3.132 1.00 0.00 C ATOM 698 C ILE A 91 17.048 -4.037 -3.888 1.00 0.00 C ATOM 699 O ILE A 91 15.873 -3.668 -3.848 1.00 0.00 O ATOM 700 CB ILE A 91 18.083 -3.680 -1.646 1.00 0.00 C ATOM 701 CG1 ILE A 91 19.256 -3.067 -0.882 1.00 0.00 C ATOM 702 CG2 ILE A 91 18.091 -5.195 -1.499 1.00 0.00 C ATOM 703 CD1 ILE A 91 19.074 -1.600 -0.581 1.00 0.00 C ATOM 0 H ILE A 91 17.009 -1.503 -2.992 1.00 0.00 H new ATOM 0 HA ILE A 91 19.105 -3.512 -3.545 1.00 0.00 H new ATOM 0 HB ILE A 91 17.154 -3.300 -1.220 1.00 0.00 H new ATOM 0 HG12 ILE A 91 19.393 -3.608 0.054 1.00 0.00 H new ATOM 0 HG13 ILE A 91 20.168 -3.201 -1.463 1.00 0.00 H new ATOM 0 HG21 ILE A 91 18.060 -5.458 -0.442 1.00 0.00 H new ATOM 0 HG22 ILE A 91 17.220 -5.614 -2.003 1.00 0.00 H new ATOM 0 HG23 ILE A 91 18.999 -5.599 -1.947 1.00 0.00 H new ATOM 0 HD11 ILE A 91 19.943 -1.230 -0.037 1.00 0.00 H new ATOM 0 HD12 ILE A 91 18.967 -1.048 -1.515 1.00 0.00 H new ATOM 0 HD13 ILE A 91 18.180 -1.461 0.027 1.00 0.00 H new ATOM 715 N LYS A 92 17.463 -5.101 -4.571 1.00 0.00 N ATOM 716 CA LYS A 92 16.546 -5.933 -5.356 1.00 0.00 C ATOM 717 C LYS A 92 16.051 -5.163 -6.581 1.00 0.00 C ATOM 718 O LYS A 92 15.700 -3.988 -6.488 1.00 0.00 O ATOM 719 CB LYS A 92 15.368 -6.401 -4.497 1.00 0.00 C ATOM 720 CG LYS A 92 14.555 -7.524 -5.127 1.00 0.00 C ATOM 721 CD LYS A 92 14.669 -8.801 -4.317 1.00 0.00 C ATOM 722 CE LYS A 92 13.624 -8.865 -3.215 1.00 0.00 C ATOM 723 NZ LYS A 92 14.245 -9.103 -1.882 1.00 0.00 N ATOM 0 H LYS A 92 18.434 -5.411 -4.598 1.00 0.00 H new ATOM 0 HA LYS A 92 17.086 -6.817 -5.697 1.00 0.00 H new ATOM 0 HB2 LYS A 92 15.746 -6.736 -3.531 1.00 0.00 H new ATOM 0 HB3 LYS A 92 14.711 -5.553 -4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 92 13.509 -7.225 -5.196 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.903 -7.703 -6.144 1.00 0.00 H new ATOM 0 HD2 LYS A 92 14.555 -9.661 -4.977 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.665 -8.866 -3.878 1.00 0.00 H new ATOM 0 HE2 LYS A 92 13.060 -7.932 -3.193 1.00 0.00 H new ATOM 0 HE3 LYS A 92 12.913 -9.662 -3.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 13.587 -9.642 -1.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 15.126 -9.643 -2.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 14.457 -8.191 -1.430 1.00 0.00 H new ATOM 737 N TYR A 93 16.064 -5.814 -7.737 1.00 0.00 N ATOM 738 CA TYR A 93 15.659 -5.156 -8.981 1.00 0.00 C ATOM 739 C TYR A 93 15.005 -6.148 -9.951 1.00 0.00 C ATOM 740 O TYR A 93 15.524 -6.414 -11.037 1.00 0.00 O ATOM 741 CB TYR A 93 16.891 -4.479 -9.613 1.00 0.00 C ATOM 742 CG TYR A 93 18.017 -4.250 -8.617 1.00 0.00 C ATOM 743 CD1 TYR A 93 18.064 -3.100 -7.837 1.00 0.00 C ATOM 744 CD2 TYR A 93 19.010 -5.205 -8.433 1.00 0.00 C ATOM 745 CE1 TYR A 93 19.073 -2.906 -6.908 1.00 0.00 C ATOM 746 CE2 TYR A 93 20.021 -5.016 -7.507 1.00 0.00 C ATOM 747 CZ TYR A 93 20.046 -3.867 -6.750 1.00 0.00 C ATOM 748 OH TYR A 93 21.052 -3.676 -5.833 1.00 0.00 O ATOM 0 H TYR A 93 16.347 -6.788 -7.844 1.00 0.00 H new ATOM 0 HA TYR A 93 14.909 -4.397 -8.758 1.00 0.00 H new ATOM 0 HB2 TYR A 93 17.258 -5.097 -10.433 1.00 0.00 H new ATOM 0 HB3 TYR A 93 16.593 -3.523 -10.043 1.00 0.00 H new ATOM 0 HD1 TYR A 93 17.301 -2.345 -7.957 1.00 0.00 H new ATOM 0 HD2 TYR A 93 18.992 -6.110 -9.023 1.00 0.00 H new ATOM 0 HE1 TYR A 93 19.096 -2.006 -6.311 1.00 0.00 H new ATOM 0 HE2 TYR A 93 20.787 -5.767 -7.379 1.00 0.00 H new ATOM 0 HH TYR A 93 20.803 -2.953 -5.220 1.00 0.00 H new ATOM 758 N ASN A 94 13.856 -6.680 -9.531 1.00 0.00 N ATOM 759 CA ASN A 94 13.076 -7.649 -10.310 1.00 0.00 C ATOM 760 C ASN A 94 12.006 -8.281 -9.418 1.00 0.00 C ATOM 761 O ASN A 94 10.820 -8.273 -9.748 1.00 0.00 O ATOM 762 CB ASN A 94 13.976 -8.746 -10.889 1.00 0.00 C ATOM 763 CG ASN A 94 13.338 -9.474 -12.057 1.00 0.00 C ATOM 764 OD1 ASN A 94 12.427 -8.963 -12.702 1.00 0.00 O ATOM 765 ND2 ASN A 94 13.813 -10.678 -12.335 1.00 0.00 N ATOM 0 H ASN A 94 13.435 -6.449 -8.631 1.00 0.00 H new ATOM 0 HA ASN A 94 12.604 -7.121 -11.139 1.00 0.00 H new ATOM 0 HB2 ASN A 94 14.918 -8.303 -11.213 1.00 0.00 H new ATOM 0 HB3 ASN A 94 14.215 -9.465 -10.105 1.00 0.00 H new ATOM 0 HD21 ASN A 94 13.421 -11.215 -13.109 1.00 0.00 H new ATOM 0 HD22 ASN A 94 14.571 -11.069 -11.776 1.00 0.00 H new ATOM 772 N THR A 95 12.457 -8.804 -8.270 1.00 0.00 N ATOM 773 CA THR A 95 11.591 -9.433 -7.275 1.00 0.00 C ATOM 774 C THR A 95 10.928 -10.704 -7.815 1.00 0.00 C ATOM 775 O THR A 95 9.942 -10.644 -8.549 1.00 0.00 O ATOM 776 CB THR A 95 10.530 -8.446 -6.773 1.00 0.00 C ATOM 777 OG1 THR A 95 10.807 -7.116 -7.189 1.00 0.00 O ATOM 778 CG2 THR A 95 10.402 -8.423 -5.266 1.00 0.00 C ATOM 0 H THR A 95 13.443 -8.800 -8.008 1.00 0.00 H new ATOM 0 HA THR A 95 12.223 -9.723 -6.436 1.00 0.00 H new ATOM 0 HB THR A 95 9.598 -8.804 -7.210 1.00 0.00 H new ATOM 0 HG1 THR A 95 11.582 -6.774 -6.696 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.635 -7.705 -4.977 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.123 -9.415 -4.909 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.355 -8.133 -4.824 1.00 0.00 H new ATOM 786 N THR A 96 11.479 -11.859 -7.432 1.00 0.00 N ATOM 787 CA THR A 96 10.943 -13.156 -7.866 1.00 0.00 C ATOM 788 C THR A 96 9.624 -13.477 -7.154 1.00 0.00 C ATOM 789 O THR A 96 8.710 -14.042 -7.754 1.00 0.00 O ATOM 790 CB THR A 96 11.966 -14.277 -7.634 1.00 0.00 C ATOM 791 OG1 THR A 96 11.520 -15.490 -8.213 1.00 0.00 O ATOM 792 CG2 THR A 96 12.256 -14.554 -6.174 1.00 0.00 C ATOM 0 H THR A 96 12.295 -11.925 -6.823 1.00 0.00 H new ATOM 0 HA THR A 96 10.743 -13.090 -8.935 1.00 0.00 H new ATOM 0 HB THR A 96 12.882 -13.918 -8.103 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.186 -16.192 -8.056 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.988 -15.358 -6.095 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.654 -13.654 -5.705 1.00 0.00 H new ATOM 0 HG23 THR A 96 11.336 -14.850 -5.670 1.00 0.00 H new ATOM 800 N ARG A 97 9.518 -13.096 -5.877 1.00 0.00 N ATOM 801 CA ARG A 97 8.298 -13.329 -5.105 1.00 0.00 C ATOM 802 C ARG A 97 7.461 -12.053 -5.037 1.00 0.00 C ATOM 803 O ARG A 97 7.966 -10.950 -5.266 1.00 0.00 O ATOM 804 CB ARG A 97 8.616 -13.813 -3.683 1.00 0.00 C ATOM 805 CG ARG A 97 9.710 -14.870 -3.611 1.00 0.00 C ATOM 806 CD ARG A 97 9.191 -16.236 -4.026 1.00 0.00 C ATOM 807 NE ARG A 97 8.633 -16.980 -2.893 1.00 0.00 N ATOM 808 CZ ARG A 97 9.293 -17.896 -2.187 1.00 0.00 C ATOM 809 NH1 ARG A 97 10.573 -18.130 -2.403 1.00 0.00 N ATOM 810 NH2 ARG A 97 8.669 -18.559 -1.232 1.00 0.00 N ATOM 0 H ARG A 97 10.261 -12.627 -5.359 1.00 0.00 H new ATOM 0 HA ARG A 97 7.731 -14.109 -5.613 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.914 -12.956 -3.078 1.00 0.00 H new ATOM 0 HB3 ARG A 97 7.707 -14.217 -3.237 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.539 -14.582 -4.258 1.00 0.00 H new ATOM 0 HG3 ARG A 97 10.102 -14.921 -2.595 1.00 0.00 H new ATOM 0 HD2 ARG A 97 8.425 -16.115 -4.792 1.00 0.00 H new ATOM 0 HD3 ARG A 97 10.002 -16.811 -4.473 1.00 0.00 H new ATOM 0 HE ARG A 97 7.669 -16.782 -2.626 1.00 0.00 H new ATOM 0 HH11 ARG A 97 11.073 -17.605 -3.121 1.00 0.00 H new ATOM 0 HH12 ARG A 97 11.062 -18.836 -1.852 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.686 -18.369 -1.038 1.00 0.00 H new ATOM 0 HH22 ARG A 97 9.170 -19.262 -0.688 1.00 0.00 H new ATOM 824 N ASN A 98 6.182 -12.210 -4.719 1.00 0.00 N ATOM 825 CA ASN A 98 5.270 -11.074 -4.624 1.00 0.00 C ATOM 826 C ASN A 98 4.507 -11.062 -3.292 1.00 0.00 C ATOM 827 O ASN A 98 4.528 -12.038 -2.536 1.00 0.00 O ATOM 828 CB ASN A 98 4.292 -11.094 -5.804 1.00 0.00 C ATOM 829 CG ASN A 98 3.329 -12.266 -5.757 1.00 0.00 C ATOM 830 OD1 ASN A 98 3.735 -13.422 -5.620 1.00 0.00 O ATOM 831 ND2 ASN A 98 2.048 -11.975 -5.873 1.00 0.00 N ATOM 0 H ASN A 98 5.751 -13.113 -4.522 1.00 0.00 H new ATOM 0 HA ASN A 98 5.865 -10.161 -4.662 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.723 -10.164 -5.813 1.00 0.00 H new ATOM 0 HB3 ASN A 98 4.856 -11.132 -6.736 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.352 -12.720 -5.851 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.753 -11.005 -5.985 1.00 0.00 H new ATOM 838 N ALA A 99 3.835 -9.947 -3.020 1.00 0.00 N ATOM 839 CA ALA A 99 3.061 -9.783 -1.796 1.00 0.00 C ATOM 840 C ALA A 99 1.580 -10.067 -2.035 1.00 0.00 C ATOM 841 O ALA A 99 1.051 -9.814 -3.121 1.00 0.00 O ATOM 842 CB ALA A 99 3.250 -8.375 -1.247 1.00 0.00 C ATOM 0 H ALA A 99 3.812 -9.136 -3.639 1.00 0.00 H new ATOM 0 HA ALA A 99 3.424 -10.504 -1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.668 -8.260 -0.332 1.00 0.00 H new ATOM 0 HB2 ALA A 99 4.305 -8.208 -1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.912 -7.648 -1.986 1.00 0.00 H new ATOM 848 N TYR A 100 0.923 -10.589 -1.005 1.00 0.00 N ATOM 849 CA TYR A 100 -0.502 -10.914 -1.071 1.00 0.00 C ATOM 850 C TYR A 100 -1.255 -10.226 0.068 1.00 0.00 C ATOM 851 O TYR A 100 -0.967 -10.469 1.243 1.00 0.00 O ATOM 852 CB TYR A 100 -0.708 -12.435 -0.993 1.00 0.00 C ATOM 853 CG TYR A 100 0.146 -13.227 -1.963 1.00 0.00 C ATOM 854 CD1 TYR A 100 1.527 -13.287 -1.819 1.00 0.00 C ATOM 855 CD2 TYR A 100 -0.430 -13.912 -3.024 1.00 0.00 C ATOM 856 CE1 TYR A 100 2.307 -14.003 -2.706 1.00 0.00 C ATOM 857 CE2 TYR A 100 0.346 -14.632 -3.913 1.00 0.00 C ATOM 858 CZ TYR A 100 1.711 -14.673 -3.749 1.00 0.00 C ATOM 859 OH TYR A 100 2.485 -15.379 -4.637 1.00 0.00 O ATOM 0 H TYR A 100 1.357 -10.799 -0.106 1.00 0.00 H new ATOM 0 HA TYR A 100 -0.895 -10.555 -2.022 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -0.490 -12.769 0.022 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -1.758 -12.659 -1.184 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.998 -12.765 -1.000 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.501 -13.882 -3.157 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.379 -14.037 -2.581 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -0.118 -15.160 -4.733 1.00 0.00 H new ATOM 0 HH TYR A 100 3.189 -14.797 -4.992 1.00 0.00 H new ATOM 869 N ARG A 101 -2.201 -9.354 -0.281 1.00 0.00 N ATOM 870 CA ARG A 101 -2.974 -8.620 0.722 1.00 0.00 C ATOM 871 C ARG A 101 -4.469 -8.913 0.567 1.00 0.00 C ATOM 872 O ARG A 101 -5.229 -8.094 0.043 1.00 0.00 O ATOM 873 CB ARG A 101 -2.699 -7.110 0.614 1.00 0.00 C ATOM 874 CG ARG A 101 -1.302 -6.694 1.066 1.00 0.00 C ATOM 875 CD ARG A 101 -0.219 -7.533 0.402 1.00 0.00 C ATOM 876 NE ARG A 101 0.953 -6.751 0.011 1.00 0.00 N ATOM 877 CZ ARG A 101 1.736 -6.062 0.840 1.00 0.00 C ATOM 878 NH1 ARG A 101 1.454 -5.960 2.124 1.00 0.00 N ATOM 879 NH2 ARG A 101 2.783 -5.428 0.357 1.00 0.00 N ATOM 0 H ARG A 101 -2.450 -9.139 -1.246 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.663 -8.953 1.712 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -2.841 -6.799 -0.421 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -3.436 -6.574 1.212 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -1.142 -5.642 0.830 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -1.226 -6.793 2.149 1.00 0.00 H new ATOM 0 HD2 ARG A 101 0.091 -8.323 1.086 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.635 -8.020 -0.480 1.00 0.00 H new ATOM 0 HE ARG A 101 1.191 -6.731 -0.981 1.00 0.00 H new ATOM 0 HH11 ARG A 101 0.622 -6.414 2.501 1.00 0.00 H new ATOM 0 HH12 ARG A 101 2.068 -5.427 2.740 1.00 0.00 H new ATOM 0 HH21 ARG A 101 2.987 -5.468 -0.642 1.00 0.00 H new ATOM 0 HH22 ARG A 101 3.390 -4.897 0.981 1.00 0.00 H new ATOM 893 N GLU A 102 -4.874 -10.101 1.016 1.00 0.00 N ATOM 894 CA GLU A 102 -6.270 -10.539 0.925 1.00 0.00 C ATOM 895 C GLU A 102 -7.211 -9.662 1.765 1.00 0.00 C ATOM 896 O GLU A 102 -6.869 -9.235 2.871 1.00 0.00 O ATOM 897 CB GLU A 102 -6.382 -12.003 1.362 1.00 0.00 C ATOM 898 CG GLU A 102 -7.454 -12.783 0.615 1.00 0.00 C ATOM 899 CD GLU A 102 -7.450 -14.261 0.952 1.00 0.00 C ATOM 900 OE1 GLU A 102 -7.747 -14.604 2.116 1.00 0.00 O ATOM 901 OE2 GLU A 102 -7.155 -15.074 0.049 1.00 0.00 O ATOM 0 H GLU A 102 -4.251 -10.783 1.450 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.580 -10.439 -0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.419 -12.492 1.214 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.597 -12.039 2.430 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.432 -12.364 0.851 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -7.305 -12.660 -0.458 1.00 0.00 H new ATOM 908 N CYS A 103 -8.407 -9.411 1.226 1.00 0.00 N ATOM 909 CA CYS A 103 -9.423 -8.597 1.908 1.00 0.00 C ATOM 910 C CYS A 103 -10.356 -9.480 2.748 1.00 0.00 C ATOM 911 O CYS A 103 -10.857 -10.493 2.259 1.00 0.00 O ATOM 912 CB CYS A 103 -10.236 -7.809 0.871 1.00 0.00 C ATOM 913 SG CYS A 103 -10.634 -6.096 1.356 1.00 0.00 S ATOM 0 H CYS A 103 -8.699 -9.761 0.314 1.00 0.00 H new ATOM 0 HA CYS A 103 -8.919 -7.900 2.578 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -9.680 -7.787 -0.066 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -11.166 -8.343 0.677 1.00 0.00 H new ATOM 918 N LEU A 104 -10.591 -9.094 4.007 1.00 0.00 N ATOM 919 CA LEU A 104 -11.467 -9.869 4.900 1.00 0.00 C ATOM 920 C LEU A 104 -12.865 -10.042 4.301 1.00 0.00 C ATOM 921 O LEU A 104 -13.292 -9.262 3.452 1.00 0.00 O ATOM 922 CB LEU A 104 -11.582 -9.195 6.274 1.00 0.00 C ATOM 923 CG LEU A 104 -10.448 -9.482 7.265 1.00 0.00 C ATOM 924 CD1 LEU A 104 -10.631 -10.848 7.907 1.00 0.00 C ATOM 925 CD2 LEU A 104 -9.092 -9.393 6.586 1.00 0.00 C ATOM 0 H LEU A 104 -10.191 -8.256 4.430 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.014 -10.853 5.019 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -11.641 -8.117 6.123 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -12.522 -9.505 6.730 1.00 0.00 H new ATOM 0 HG LEU A 104 -10.486 -8.723 8.046 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -9.816 -11.033 8.607 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.581 -10.875 8.441 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -10.627 -11.617 7.134 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.307 -9.601 7.313 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.041 -10.123 5.778 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -8.954 -8.391 6.179 1.00 0.00 H new ATOM 937 N GLU A 105 -13.571 -11.070 4.765 1.00 0.00 N ATOM 938 CA GLU A 105 -14.930 -11.370 4.294 1.00 0.00 C ATOM 939 C GLU A 105 -15.876 -10.179 4.486 1.00 0.00 C ATOM 940 O GLU A 105 -16.640 -9.829 3.586 1.00 0.00 O ATOM 941 CB GLU A 105 -15.482 -12.598 5.030 1.00 0.00 C ATOM 942 CG GLU A 105 -16.072 -13.653 4.103 1.00 0.00 C ATOM 943 CD GLU A 105 -17.530 -13.398 3.772 1.00 0.00 C ATOM 944 OE1 GLU A 105 -18.360 -13.397 4.706 1.00 0.00 O ATOM 945 OE2 GLU A 105 -17.841 -13.206 2.577 1.00 0.00 O ATOM 0 H GLU A 105 -13.225 -11.717 5.473 1.00 0.00 H new ATOM 0 HA GLU A 105 -14.870 -11.579 3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -14.682 -13.049 5.617 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -16.250 -12.275 5.733 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -15.494 -13.682 3.179 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -15.976 -14.634 4.569 1.00 0.00 H new ATOM 952 N ASN A 106 -15.814 -9.558 5.664 1.00 0.00 N ATOM 953 CA ASN A 106 -16.665 -8.405 5.980 1.00 0.00 C ATOM 954 C ASN A 106 -16.410 -7.213 5.043 1.00 0.00 C ATOM 955 O ASN A 106 -17.206 -6.275 5.003 1.00 0.00 O ATOM 956 CB ASN A 106 -16.452 -7.975 7.437 1.00 0.00 C ATOM 957 CG ASN A 106 -16.770 -9.081 8.424 1.00 0.00 C ATOM 958 OD1 ASN A 106 -15.874 -9.756 8.924 1.00 0.00 O ATOM 959 ND2 ASN A 106 -18.050 -9.275 8.709 1.00 0.00 N ATOM 0 H ASN A 106 -15.184 -9.833 6.417 1.00 0.00 H new ATOM 0 HA ASN A 106 -17.698 -8.720 5.834 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -15.417 -7.660 7.571 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -17.079 -7.110 7.652 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -18.321 -10.007 9.366 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -18.764 -8.692 8.272 1.00 0.00 H new ATOM 966 N GLY A 107 -15.303 -7.251 4.292 1.00 0.00 N ATOM 967 CA GLY A 107 -14.977 -6.165 3.372 1.00 0.00 C ATOM 968 C GLY A 107 -13.907 -5.232 3.914 1.00 0.00 C ATOM 969 O GLY A 107 -13.922 -4.032 3.632 1.00 0.00 O ATOM 0 H GLY A 107 -14.627 -8.015 4.305 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -14.639 -6.587 2.425 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -15.879 -5.591 3.161 1.00 0.00 H new ATOM 973 N THR A 108 -12.977 -5.779 4.696 1.00 0.00 N ATOM 974 CA THR A 108 -11.896 -4.983 5.281 1.00 0.00 C ATOM 975 C THR A 108 -10.534 -5.608 4.992 1.00 0.00 C ATOM 976 O THR A 108 -10.329 -6.799 5.222 1.00 0.00 O ATOM 977 CB THR A 108 -12.091 -4.845 6.797 1.00 0.00 C ATOM 978 OG1 THR A 108 -12.078 -6.114 7.428 1.00 0.00 O ATOM 979 CG2 THR A 108 -13.389 -4.169 7.178 1.00 0.00 C ATOM 0 H THR A 108 -12.949 -6.769 4.940 1.00 0.00 H new ATOM 0 HA THR A 108 -11.927 -3.994 4.824 1.00 0.00 H new ATOM 0 HB THR A 108 -11.259 -4.225 7.132 1.00 0.00 H new ATOM 0 HG1 THR A 108 -12.202 -6.001 8.393 1.00 0.00 H new ATOM 0 HG21 THR A 108 -13.461 -4.105 8.264 1.00 0.00 H new ATOM 0 HG22 THR A 108 -13.415 -3.166 6.753 1.00 0.00 H new ATOM 0 HG23 THR A 108 -14.228 -4.748 6.792 1.00 0.00 H new ATOM 987 N TRP A 109 -9.603 -4.805 4.494 1.00 0.00 N ATOM 988 CA TRP A 109 -8.261 -5.296 4.183 1.00 0.00 C ATOM 989 C TRP A 109 -7.592 -5.902 5.416 1.00 0.00 C ATOM 990 O TRP A 109 -7.777 -5.427 6.539 1.00 0.00 O ATOM 991 CB TRP A 109 -7.398 -4.170 3.625 1.00 0.00 C ATOM 992 CG TRP A 109 -7.851 -3.689 2.282 1.00 0.00 C ATOM 993 CD1 TRP A 109 -8.857 -2.802 2.021 1.00 0.00 C ATOM 994 CD2 TRP A 109 -7.313 -4.074 1.016 1.00 0.00 C ATOM 995 NE1 TRP A 109 -8.967 -2.601 0.666 1.00 0.00 N ATOM 996 CE2 TRP A 109 -8.030 -3.375 0.030 1.00 0.00 C ATOM 997 CE3 TRP A 109 -6.288 -4.940 0.622 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -7.752 -3.517 -1.323 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -6.018 -5.081 -0.724 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -6.747 -4.371 -1.683 1.00 0.00 C ATOM 0 H TRP A 109 -9.748 -3.815 4.296 1.00 0.00 H new ATOM 0 HA TRP A 109 -8.360 -6.077 3.430 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -7.406 -3.334 4.325 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -6.366 -4.514 3.551 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -9.475 -2.328 2.770 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -9.634 -1.980 0.209 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -5.718 -5.488 1.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -8.312 -2.970 -2.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -5.232 -5.750 -1.041 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -6.511 -4.500 -2.729 1.00 0.00 H new ATOM 1011 N ALA A 110 -6.817 -6.957 5.196 1.00 0.00 N ATOM 1012 CA ALA A 110 -6.125 -7.636 6.285 1.00 0.00 C ATOM 1013 C ALA A 110 -4.865 -6.878 6.712 1.00 0.00 C ATOM 1014 O ALA A 110 -3.894 -6.793 5.957 1.00 0.00 O ATOM 1015 CB ALA A 110 -5.786 -9.063 5.876 1.00 0.00 C ATOM 0 H ALA A 110 -6.652 -7.361 4.274 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.793 -7.664 7.146 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -5.269 -9.563 6.695 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -6.704 -9.602 5.643 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.142 -9.046 4.997 1.00 0.00 H new ATOM 1021 N SER A 111 -4.888 -6.340 7.934 1.00 0.00 N ATOM 1022 CA SER A 111 -3.746 -5.601 8.480 1.00 0.00 C ATOM 1023 C SER A 111 -2.484 -6.460 8.427 1.00 0.00 C ATOM 1024 O SER A 111 -1.425 -6.001 8.001 1.00 0.00 O ATOM 1025 CB SER A 111 -4.029 -5.166 9.924 1.00 0.00 C ATOM 1026 OG SER A 111 -5.409 -5.296 10.242 1.00 0.00 O ATOM 0 H SER A 111 -5.687 -6.402 8.566 1.00 0.00 H new ATOM 0 HA SER A 111 -3.590 -4.710 7.872 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.437 -5.771 10.611 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.718 -4.130 10.062 1.00 0.00 H new ATOM 0 HG SER A 111 -5.559 -5.013 11.168 1.00 0.00 H new ATOM 1032 N ARG A 112 -2.619 -7.722 8.838 1.00 0.00 N ATOM 1033 CA ARG A 112 -1.503 -8.666 8.813 1.00 0.00 C ATOM 1034 C ARG A 112 -1.334 -9.222 7.398 1.00 0.00 C ATOM 1035 O ARG A 112 -2.264 -9.807 6.840 1.00 0.00 O ATOM 1036 CB ARG A 112 -1.734 -9.812 9.807 1.00 0.00 C ATOM 1037 CG ARG A 112 -2.322 -9.367 11.140 1.00 0.00 C ATOM 1038 CD ARG A 112 -1.760 -10.175 12.301 1.00 0.00 C ATOM 1039 NE ARG A 112 -0.591 -9.526 12.904 1.00 0.00 N ATOM 1040 CZ ARG A 112 -0.015 -9.916 14.036 1.00 0.00 C ATOM 1041 NH1 ARG A 112 -0.483 -10.955 14.704 1.00 0.00 N ATOM 1042 NH2 ARG A 112 1.034 -9.267 14.498 1.00 0.00 N ATOM 0 H ARG A 112 -3.492 -8.113 9.192 1.00 0.00 H new ATOM 0 HA ARG A 112 -0.594 -8.141 9.107 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -2.402 -10.544 9.353 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -0.786 -10.317 9.990 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -2.110 -8.309 11.296 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -3.406 -9.474 11.113 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -2.532 -10.308 13.058 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.483 -11.169 11.951 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.193 -8.720 12.421 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -1.293 -11.465 14.352 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -0.034 -11.247 15.572 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.404 -8.465 13.987 1.00 0.00 H new ATOM 0 HH22 ARG A 112 1.477 -9.566 15.367 1.00 0.00 H new ATOM 1056 N VAL A 113 -0.159 -9.019 6.814 1.00 0.00 N ATOM 1057 CA VAL A 113 0.108 -9.485 5.452 1.00 0.00 C ATOM 1058 C VAL A 113 1.012 -10.722 5.432 1.00 0.00 C ATOM 1059 O VAL A 113 2.007 -10.793 6.158 1.00 0.00 O ATOM 1060 CB VAL A 113 0.762 -8.381 4.599 1.00 0.00 C ATOM 1061 CG1 VAL A 113 0.647 -8.721 3.127 1.00 0.00 C ATOM 1062 CG2 VAL A 113 0.127 -7.027 4.879 1.00 0.00 C ATOM 0 H VAL A 113 0.623 -8.537 7.257 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.861 -9.750 5.029 1.00 0.00 H new ATOM 0 HB VAL A 113 1.817 -8.322 4.868 1.00 0.00 H new ATOM 0 HG11 VAL A 113 1.113 -7.934 2.534 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.150 -9.668 2.932 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.405 -8.806 2.854 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.607 -6.266 4.264 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.936 -7.068 4.642 1.00 0.00 H new ATOM 0 HG23 VAL A 113 0.254 -6.776 5.932 1.00 0.00 H new ATOM 1072 N ASN A 114 0.666 -11.692 4.584 1.00 0.00 N ATOM 1073 CA ASN A 114 1.450 -12.925 4.463 1.00 0.00 C ATOM 1074 C ASN A 114 2.691 -12.717 3.585 1.00 0.00 C ATOM 1075 O ASN A 114 2.837 -13.331 2.521 1.00 0.00 O ATOM 1076 CB ASN A 114 0.577 -14.050 3.896 1.00 0.00 C ATOM 1077 CG ASN A 114 0.801 -15.376 4.599 1.00 0.00 C ATOM 1078 OD1 ASN A 114 1.357 -15.429 5.695 1.00 0.00 O ATOM 1079 ND2 ASN A 114 0.370 -16.457 3.970 1.00 0.00 N ATOM 0 H ASN A 114 -0.149 -11.649 3.972 1.00 0.00 H new ATOM 0 HA ASN A 114 1.792 -13.206 5.459 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -0.473 -13.769 3.984 1.00 0.00 H new ATOM 0 HB3 ASN A 114 0.787 -14.167 2.833 1.00 0.00 H new ATOM 0 HD21 ASN A 114 0.494 -17.377 4.393 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -0.086 -16.371 3.062 1.00 0.00 H new ATOM 1086 N TYR A 115 3.594 -11.852 4.045 1.00 0.00 N ATOM 1087 CA TYR A 115 4.828 -11.570 3.310 1.00 0.00 C ATOM 1088 C TYR A 115 5.979 -12.457 3.795 1.00 0.00 C ATOM 1089 O TYR A 115 7.022 -11.964 4.228 1.00 0.00 O ATOM 1090 CB TYR A 115 5.220 -10.080 3.398 1.00 0.00 C ATOM 1091 CG TYR A 115 4.878 -9.388 4.703 1.00 0.00 C ATOM 1092 CD1 TYR A 115 5.283 -9.908 5.928 1.00 0.00 C ATOM 1093 CD2 TYR A 115 4.157 -8.202 4.702 1.00 0.00 C ATOM 1094 CE1 TYR A 115 4.976 -9.261 7.113 1.00 0.00 C ATOM 1095 CE2 TYR A 115 3.846 -7.553 5.882 1.00 0.00 C ATOM 1096 CZ TYR A 115 4.257 -8.087 7.083 1.00 0.00 C ATOM 1097 OH TYR A 115 3.955 -7.439 8.256 1.00 0.00 O ATOM 0 H TYR A 115 3.496 -11.336 4.919 1.00 0.00 H new ATOM 0 HA TYR A 115 4.634 -11.802 2.263 1.00 0.00 H new ATOM 0 HB2 TYR A 115 6.294 -9.995 3.233 1.00 0.00 H new ATOM 0 HB3 TYR A 115 4.730 -9.545 2.585 1.00 0.00 H new ATOM 0 HD1 TYR A 115 5.845 -10.830 5.955 1.00 0.00 H new ATOM 0 HD2 TYR A 115 3.833 -7.779 3.763 1.00 0.00 H new ATOM 0 HE1 TYR A 115 5.299 -9.675 8.057 1.00 0.00 H new ATOM 0 HE2 TYR A 115 3.283 -6.631 5.862 1.00 0.00 H new ATOM 0 HH TYR A 115 4.734 -6.925 8.556 1.00 0.00 H new ATOM 1107 N SER A 116 5.796 -13.772 3.695 1.00 0.00 N ATOM 1108 CA SER A 116 6.830 -14.727 4.103 1.00 0.00 C ATOM 1109 C SER A 116 7.735 -15.083 2.918 1.00 0.00 C ATOM 1110 O SER A 116 8.093 -16.246 2.715 1.00 0.00 O ATOM 1111 CB SER A 116 6.191 -15.994 4.686 1.00 0.00 C ATOM 1112 OG SER A 116 5.057 -16.397 3.931 1.00 0.00 O ATOM 0 H SER A 116 4.944 -14.202 3.336 1.00 0.00 H new ATOM 0 HA SER A 116 7.441 -14.260 4.875 1.00 0.00 H new ATOM 0 HB2 SER A 116 6.925 -16.800 4.701 1.00 0.00 H new ATOM 0 HB3 SER A 116 5.896 -15.812 5.719 1.00 0.00 H new ATOM 0 HG SER A 116 4.673 -17.208 4.326 1.00 0.00 H new ATOM 1118 N HIS A 117 8.094 -14.066 2.130 1.00 0.00 N ATOM 1119 CA HIS A 117 8.952 -14.239 0.954 1.00 0.00 C ATOM 1120 C HIS A 117 9.642 -12.900 0.617 1.00 0.00 C ATOM 1121 O HIS A 117 9.939 -12.123 1.525 1.00 0.00 O ATOM 1122 CB HIS A 117 8.139 -14.780 -0.250 1.00 0.00 C ATOM 1123 CG HIS A 117 6.667 -14.934 -0.015 1.00 0.00 C ATOM 1124 ND1 HIS A 117 6.125 -15.889 0.819 1.00 0.00 N ATOM 1125 CD2 HIS A 117 5.623 -14.246 -0.524 1.00 0.00 C ATOM 1126 CE1 HIS A 117 4.809 -15.779 0.813 1.00 0.00 C ATOM 1127 NE2 HIS A 117 4.476 -14.788 0.008 1.00 0.00 N ATOM 0 H HIS A 117 7.799 -13.102 2.288 1.00 0.00 H new ATOM 0 HA HIS A 117 9.721 -14.978 1.178 1.00 0.00 H new ATOM 0 HB2 HIS A 117 8.286 -14.110 -1.097 1.00 0.00 H new ATOM 0 HB3 HIS A 117 8.547 -15.749 -0.536 1.00 0.00 H new ATOM 0 HD1 HIS A 117 6.657 -16.573 1.356 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.678 -13.422 -1.220 1.00 0.00 H new ATOM 0 HE1 HIS A 117 4.121 -16.396 1.372 1.00 0.00 H new ATOM 1136 N CYS A 118 9.902 -12.635 -0.675 1.00 0.00 N ATOM 1137 CA CYS A 118 10.556 -11.389 -1.111 1.00 0.00 C ATOM 1138 C CYS A 118 12.083 -11.514 -1.049 1.00 0.00 C ATOM 1139 O CYS A 118 12.780 -10.585 -0.623 1.00 0.00 O ATOM 1140 CB CYS A 118 10.070 -10.189 -0.276 1.00 0.00 C ATOM 1141 SG CYS A 118 8.254 -10.075 -0.123 1.00 0.00 S ATOM 0 H CYS A 118 9.668 -13.270 -1.438 1.00 0.00 H new ATOM 0 HA CYS A 118 10.276 -11.214 -2.150 1.00 0.00 H new ATOM 0 HB2 CYS A 118 10.505 -10.254 0.721 1.00 0.00 H new ATOM 0 HB3 CYS A 118 10.444 -9.270 -0.728 1.00 0.00 H new ATOM 1146 N GLU A 119 12.594 -12.667 -1.490 1.00 0.00 N ATOM 1147 CA GLU A 119 14.037 -12.935 -1.500 1.00 0.00 C ATOM 1148 C GLU A 119 14.759 -12.126 -2.588 1.00 0.00 C ATOM 1149 O GLU A 119 14.132 -11.649 -3.537 1.00 0.00 O ATOM 1150 CB GLU A 119 14.287 -14.435 -1.706 1.00 0.00 C ATOM 1151 CG GLU A 119 13.762 -14.969 -3.036 1.00 0.00 C ATOM 1152 CD GLU A 119 13.134 -16.347 -2.924 1.00 0.00 C ATOM 1153 OE1 GLU A 119 13.592 -17.157 -2.090 1.00 0.00 O ATOM 1154 OE2 GLU A 119 12.171 -16.617 -3.676 1.00 0.00 O ATOM 0 H GLU A 119 12.026 -13.435 -1.847 1.00 0.00 H new ATOM 0 HA GLU A 119 14.441 -12.626 -0.536 1.00 0.00 H new ATOM 0 HB2 GLU A 119 15.358 -14.627 -1.645 1.00 0.00 H new ATOM 0 HB3 GLU A 119 13.817 -14.987 -0.892 1.00 0.00 H new ATOM 0 HG2 GLU A 119 13.024 -14.272 -3.433 1.00 0.00 H new ATOM 0 HG3 GLU A 119 14.582 -15.008 -3.753 1.00 0.00 H new ATOM 1161 N PRO A 120 16.095 -11.947 -2.454 1.00 0.00 N ATOM 1162 CA PRO A 120 16.894 -11.182 -3.426 1.00 0.00 C ATOM 1163 C PRO A 120 17.075 -11.893 -4.770 1.00 0.00 C ATOM 1164 O PRO A 120 16.680 -13.048 -4.942 1.00 0.00 O ATOM 1165 CB PRO A 120 18.246 -11.010 -2.730 1.00 0.00 C ATOM 1166 CG PRO A 120 18.329 -12.135 -1.755 1.00 0.00 C ATOM 1167 CD PRO A 120 16.918 -12.463 -1.344 1.00 0.00 C ATOM 0 HA PRO A 120 16.400 -10.244 -3.681 1.00 0.00 H new ATOM 0 HB2 PRO A 120 19.066 -11.049 -3.447 1.00 0.00 H new ATOM 0 HB3 PRO A 120 18.309 -10.046 -2.225 1.00 0.00 H new ATOM 0 HG2 PRO A 120 18.811 -13.002 -2.206 1.00 0.00 H new ATOM 0 HG3 PRO A 120 18.928 -11.852 -0.889 1.00 0.00 H new ATOM 0 HD2 PRO A 120 16.780 -13.536 -1.210 1.00 0.00 H new ATOM 0 HD3 PRO A 120 16.657 -11.988 -0.399 1.00 0.00 H new ATOM 1175 N ILE A 121 17.679 -11.181 -5.721 1.00 0.00 N ATOM 1176 CA ILE A 121 17.926 -11.716 -7.060 1.00 0.00 C ATOM 1177 C ILE A 121 19.423 -11.730 -7.390 1.00 0.00 C ATOM 1178 O ILE A 121 20.243 -11.220 -6.623 1.00 0.00 O ATOM 1179 CB ILE A 121 17.171 -10.905 -8.131 1.00 0.00 C ATOM 1180 CG1 ILE A 121 17.810 -9.529 -8.317 1.00 0.00 C ATOM 1181 CG2 ILE A 121 15.702 -10.765 -7.752 1.00 0.00 C ATOM 1182 CD1 ILE A 121 17.009 -8.623 -9.213 1.00 0.00 C ATOM 0 H ILE A 121 18.009 -10.225 -5.587 1.00 0.00 H new ATOM 0 HA ILE A 121 17.557 -12.742 -7.066 1.00 0.00 H new ATOM 0 HB ILE A 121 17.236 -11.441 -9.078 1.00 0.00 H new ATOM 0 HG12 ILE A 121 17.928 -9.055 -7.343 1.00 0.00 H new ATOM 0 HG13 ILE A 121 18.809 -9.652 -8.735 1.00 0.00 H new ATOM 0 HG21 ILE A 121 15.182 -10.190 -8.518 1.00 0.00 H new ATOM 0 HG22 ILE A 121 15.251 -11.754 -7.672 1.00 0.00 H new ATOM 0 HG23 ILE A 121 15.621 -10.251 -6.794 1.00 0.00 H new ATOM 0 HD11 ILE A 121 17.515 -7.662 -9.305 1.00 0.00 H new ATOM 0 HD12 ILE A 121 16.913 -9.078 -10.199 1.00 0.00 H new ATOM 0 HD13 ILE A 121 16.018 -8.472 -8.785 1.00 0.00 H new ATOM 1194 N LEU A 122 19.772 -12.318 -8.535 1.00 0.00 N ATOM 1195 CA LEU A 122 21.164 -12.404 -8.966 1.00 0.00 C ATOM 1196 C LEU A 122 21.539 -11.235 -9.884 1.00 0.00 C ATOM 1197 O LEU A 122 21.676 -11.395 -11.099 1.00 0.00 O ATOM 1198 CB LEU A 122 21.409 -13.739 -9.676 1.00 0.00 C ATOM 1199 CG LEU A 122 21.589 -14.943 -8.750 1.00 0.00 C ATOM 1200 CD1 LEU A 122 20.240 -15.469 -8.290 1.00 0.00 C ATOM 1201 CD2 LEU A 122 22.374 -16.039 -9.450 1.00 0.00 C ATOM 0 H LEU A 122 19.106 -12.742 -9.181 1.00 0.00 H new ATOM 0 HA LEU A 122 21.797 -12.346 -8.081 1.00 0.00 H new ATOM 0 HB2 LEU A 122 20.571 -13.936 -10.344 1.00 0.00 H new ATOM 0 HB3 LEU A 122 22.298 -13.644 -10.299 1.00 0.00 H new ATOM 0 HG LEU A 122 22.150 -14.621 -7.873 1.00 0.00 H new ATOM 0 HD11 LEU A 122 20.388 -16.325 -7.632 1.00 0.00 H new ATOM 0 HD12 LEU A 122 19.708 -14.685 -7.751 1.00 0.00 H new ATOM 0 HD13 LEU A 122 19.654 -15.775 -9.157 1.00 0.00 H new ATOM 0 HD21 LEU A 122 22.493 -16.888 -8.777 1.00 0.00 H new ATOM 0 HD22 LEU A 122 21.837 -16.357 -10.344 1.00 0.00 H new ATOM 0 HD23 LEU A 122 23.356 -15.660 -9.732 1.00 0.00 H new TER 1213 LEU A 122 ATOM 1214 N LEU B 227 19.806 -7.551 3.284 1.00 0.00 N ATOM 1215 CA LEU B 227 19.982 -6.180 3.738 1.00 0.00 C ATOM 1216 C LEU B 227 20.749 -5.356 2.705 1.00 0.00 C ATOM 1217 O LEU B 227 20.641 -4.133 2.663 1.00 0.00 O ATOM 1218 CB LEU B 227 20.726 -6.177 5.077 1.00 0.00 C ATOM 1219 CG LEU B 227 22.146 -6.751 5.042 1.00 0.00 C ATOM 1220 CD1 LEU B 227 23.174 -5.635 4.957 1.00 0.00 C ATOM 1221 CD2 LEU B 227 22.401 -7.612 6.268 1.00 0.00 C ATOM 0 HA LEU B 227 19.000 -5.725 3.867 1.00 0.00 H new ATOM 0 HB2 LEU B 227 20.776 -5.152 5.443 1.00 0.00 H new ATOM 0 HB3 LEU B 227 20.141 -6.745 5.800 1.00 0.00 H new ATOM 0 HG LEU B 227 22.241 -7.374 4.153 1.00 0.00 H new ATOM 0 HD11 LEU B 227 24.176 -6.064 4.933 1.00 0.00 H new ATOM 0 HD12 LEU B 227 23.006 -5.054 4.050 1.00 0.00 H new ATOM 0 HD13 LEU B 227 23.078 -4.985 5.827 1.00 0.00 H new ATOM 0 HD21 LEU B 227 23.414 -8.012 6.227 1.00 0.00 H new ATOM 0 HD22 LEU B 227 22.285 -7.007 7.168 1.00 0.00 H new ATOM 0 HD23 LEU B 227 21.687 -8.435 6.290 1.00 0.00 H new ATOM 1233 N ALA B 228 21.524 -6.056 1.888 1.00 0.00 N ATOM 1234 CA ALA B 228 22.345 -5.457 0.839 1.00 0.00 C ATOM 1235 C ALA B 228 23.110 -4.244 1.372 1.00 0.00 C ATOM 1236 O ALA B 228 24.190 -4.383 1.946 1.00 0.00 O ATOM 1237 CB ALA B 228 21.488 -5.105 -0.373 1.00 0.00 C ATOM 0 H ALA B 228 21.603 -7.072 1.934 1.00 0.00 H new ATOM 0 HA ALA B 228 23.087 -6.187 0.515 1.00 0.00 H new ATOM 0 HB1 ALA B 228 22.115 -4.660 -1.145 1.00 0.00 H new ATOM 0 HB2 ALA B 228 21.020 -6.009 -0.762 1.00 0.00 H new ATOM 0 HB3 ALA B 228 20.716 -4.394 -0.079 1.00 0.00 H new ATOM 1243 N GLN B 229 22.524 -3.067 1.211 1.00 0.00 N ATOM 1244 CA GLN B 229 23.115 -1.835 1.705 1.00 0.00 C ATOM 1245 C GLN B 229 22.036 -0.976 2.368 1.00 0.00 C ATOM 1246 O GLN B 229 22.170 0.247 2.443 1.00 0.00 O ATOM 1247 CB GLN B 229 23.783 -1.071 0.559 1.00 0.00 C ATOM 1248 CG GLN B 229 25.104 -0.422 0.949 1.00 0.00 C ATOM 1249 CD GLN B 229 25.474 0.743 0.053 1.00 0.00 C ATOM 1250 OE1 GLN B 229 26.238 0.593 -0.895 1.00 0.00 O ATOM 1251 NE2 GLN B 229 24.933 1.915 0.351 1.00 0.00 N ATOM 0 H GLN B 229 21.630 -2.940 0.737 1.00 0.00 H new ATOM 0 HA GLN B 229 23.878 -2.075 2.445 1.00 0.00 H new ATOM 0 HB2 GLN B 229 23.955 -1.756 -0.272 1.00 0.00 H new ATOM 0 HB3 GLN B 229 23.101 -0.300 0.201 1.00 0.00 H new ATOM 0 HG2 GLN B 229 25.043 -0.076 1.981 1.00 0.00 H new ATOM 0 HG3 GLN B 229 25.896 -1.170 0.910 1.00 0.00 H new ATOM 0 HE21 GLN B 229 24.302 1.998 1.148 1.00 0.00 H new ATOM 0 HE22 GLN B 229 25.147 2.735 -0.217 1.00 0.00 H new ATOM 1260 N GLU B 230 20.961 -1.641 2.842 1.00 0.00 N ATOM 1261 CA GLU B 230 19.828 -0.947 3.499 1.00 0.00 C ATOM 1262 C GLU B 230 18.556 -1.810 3.541 1.00 0.00 C ATOM 1263 O GLU B 230 17.663 -1.567 4.358 1.00 0.00 O ATOM 1264 CB GLU B 230 19.501 0.364 2.773 1.00 0.00 C ATOM 1265 CG GLU B 230 19.713 1.607 3.626 1.00 0.00 C ATOM 1266 CD GLU B 230 18.491 2.509 3.678 1.00 0.00 C ATOM 1267 OE1 GLU B 230 17.373 2.084 3.380 1.00 0.00 O ATOM 0 H GLU B 230 20.852 -2.653 2.783 1.00 0.00 H new ATOM 0 HA GLU B 230 20.146 -0.746 4.522 1.00 0.00 H new ATOM 0 HB2 GLU B 230 20.120 0.438 1.879 1.00 0.00 H new ATOM 0 HB3 GLU B 230 18.463 0.335 2.440 1.00 0.00 H new ATOM 0 HG2 GLU B 230 19.977 1.304 4.639 1.00 0.00 H new ATOM 0 HG3 GLU B 230 20.558 2.172 3.231 1.00 0.00 H new ATOM 1274 N ALA B 231 18.480 -2.810 2.658 1.00 0.00 N ATOM 1275 CA ALA B 231 17.331 -3.711 2.569 1.00 0.00 C ATOM 1276 C ALA B 231 16.814 -4.139 3.945 1.00 0.00 C ATOM 1277 O ALA B 231 15.615 -4.353 4.121 1.00 0.00 O ATOM 1278 CB ALA B 231 17.704 -4.933 1.736 1.00 0.00 C ATOM 0 H ALA B 231 19.217 -3.017 1.983 1.00 0.00 H new ATOM 0 HA ALA B 231 16.520 -3.167 2.085 1.00 0.00 H new ATOM 0 HB1 ALA B 231 16.847 -5.604 1.670 1.00 0.00 H new ATOM 0 HB2 ALA B 231 17.994 -4.616 0.734 1.00 0.00 H new ATOM 0 HB3 ALA B 231 18.537 -5.454 2.207 1.00 0.00 H new ATOM 1284 N HIS B 232 17.717 -4.265 4.915 1.00 0.00 N ATOM 1285 CA HIS B 232 17.332 -4.674 6.269 1.00 0.00 C ATOM 1286 C HIS B 232 16.321 -3.706 6.875 1.00 0.00 C ATOM 1287 O HIS B 232 15.183 -4.093 7.145 1.00 0.00 O ATOM 1288 CB HIS B 232 18.560 -4.798 7.180 1.00 0.00 C ATOM 1289 CG HIS B 232 18.292 -5.497 8.479 1.00 0.00 C ATOM 1290 ND1 HIS B 232 17.042 -5.932 8.871 1.00 0.00 N ATOM 1291 CD2 HIS B 232 19.135 -5.841 9.479 1.00 0.00 C ATOM 1292 CE1 HIS B 232 17.129 -6.511 10.055 1.00 0.00 C ATOM 1293 NE2 HIS B 232 18.390 -6.471 10.447 1.00 0.00 N ATOM 0 H HIS B 232 18.715 -4.092 4.793 1.00 0.00 H new ATOM 0 HA HIS B 232 16.861 -5.654 6.190 1.00 0.00 H new ATOM 0 HB2 HIS B 232 19.343 -5.336 6.645 1.00 0.00 H new ATOM 0 HB3 HIS B 232 18.945 -3.800 7.390 1.00 0.00 H new ATOM 0 HD2 HIS B 232 20.198 -5.655 9.511 1.00 0.00 H new ATOM 0 HE1 HIS B 232 16.309 -6.944 10.609 1.00 0.00 H new ATOM 0 HE2 HIS B 232 18.751 -6.846 11.324 1.00 0.00 H new ATOM 1302 N LYS B 233 16.723 -2.448 7.077 1.00 0.00 N ATOM 1303 CA LYS B 233 15.810 -1.452 7.637 1.00 0.00 C ATOM 1304 C LYS B 233 14.594 -1.295 6.730 1.00 0.00 C ATOM 1305 O LYS B 233 13.479 -1.073 7.207 1.00 0.00 O ATOM 1306 CB LYS B 233 16.517 -0.106 7.858 1.00 0.00 C ATOM 1307 CG LYS B 233 16.888 0.630 6.579 1.00 0.00 C ATOM 1308 CD LYS B 233 18.117 1.509 6.783 1.00 0.00 C ATOM 1309 CE LYS B 233 17.815 2.978 6.521 1.00 0.00 C ATOM 1310 NZ LYS B 233 18.800 3.584 5.628 1.00 0.00 N ATOM 0 H LYS B 233 17.658 -2.101 6.865 1.00 0.00 H new ATOM 0 HA LYS B 233 15.474 -1.801 8.613 1.00 0.00 H new ATOM 0 HB2 LYS B 233 15.870 0.536 8.457 1.00 0.00 H new ATOM 0 HB3 LYS B 233 17.423 -0.277 8.439 1.00 0.00 H new ATOM 0 HG2 LYS B 233 17.082 -0.091 5.785 1.00 0.00 H new ATOM 0 HG3 LYS B 233 16.049 1.245 6.254 1.00 0.00 H new ATOM 0 HD2 LYS B 233 18.483 1.390 7.803 1.00 0.00 H new ATOM 0 HD3 LYS B 233 18.914 1.178 6.118 1.00 0.00 H new ATOM 0 HE2 LYS B 233 16.821 3.072 6.083 1.00 0.00 H new ATOM 0 HE3 LYS B 233 17.800 3.520 7.467 1.00 0.00 H new ATOM 0 HZ1 LYS B 233 19.307 4.340 6.132 1.00 0.00 H new ATOM 0 HZ2 LYS B 233 19.479 2.860 5.317 1.00 0.00 H new ATOM 0 HZ3 LYS B 233 18.317 3.984 4.799 1.00 0.00 H new ATOM 1322 N ASN B 234 14.811 -1.460 5.422 1.00 0.00 N ATOM 1323 CA ASN B 234 13.727 -1.385 4.451 1.00 0.00 C ATOM 1324 C ASN B 234 12.717 -2.495 4.729 1.00 0.00 C ATOM 1325 O ASN B 234 11.535 -2.233 4.951 1.00 0.00 O ATOM 1326 CB ASN B 234 14.272 -1.529 3.023 1.00 0.00 C ATOM 1327 CG ASN B 234 15.364 -0.527 2.676 1.00 0.00 C ATOM 1328 OD1 ASN B 234 16.226 -0.806 1.845 1.00 0.00 O ATOM 1329 ND2 ASN B 234 15.332 0.645 3.295 1.00 0.00 N ATOM 0 H ASN B 234 15.728 -1.646 5.016 1.00 0.00 H new ATOM 0 HA ASN B 234 13.240 -0.414 4.542 1.00 0.00 H new ATOM 0 HB2 ASN B 234 14.664 -2.538 2.894 1.00 0.00 H new ATOM 0 HB3 ASN B 234 13.449 -1.414 2.317 1.00 0.00 H new ATOM 0 HD21 ASN B 234 16.038 1.351 3.087 1.00 0.00 H new ATOM 0 HD22 ASN B 234 14.601 0.841 3.979 1.00 0.00 H new ATOM 1336 N ARG B 235 13.205 -3.737 4.721 1.00 0.00 N ATOM 1337 CA ARG B 235 12.362 -4.901 4.974 1.00 0.00 C ATOM 1338 C ARG B 235 11.825 -4.906 6.406 1.00 0.00 C ATOM 1339 O ARG B 235 10.662 -5.238 6.628 1.00 0.00 O ATOM 1340 CB ARG B 235 13.126 -6.192 4.680 1.00 0.00 C ATOM 1341 CG ARG B 235 12.381 -7.123 3.743 1.00 0.00 C ATOM 1342 CD ARG B 235 13.244 -8.295 3.318 1.00 0.00 C ATOM 1343 NE ARG B 235 14.332 -7.877 2.432 1.00 0.00 N ATOM 1344 CZ ARG B 235 15.383 -8.626 2.130 1.00 0.00 C ATOM 1345 NH1 ARG B 235 15.509 -9.839 2.633 1.00 0.00 N ATOM 1346 NH2 ARG B 235 16.301 -8.158 1.311 1.00 0.00 N ATOM 0 H ARG B 235 14.184 -3.960 4.541 1.00 0.00 H new ATOM 0 HA ARG B 235 11.506 -4.842 4.302 1.00 0.00 H new ATOM 0 HB2 ARG B 235 14.093 -5.943 4.243 1.00 0.00 H new ATOM 0 HB3 ARG B 235 13.324 -6.712 5.617 1.00 0.00 H new ATOM 0 HG2 ARG B 235 11.482 -7.492 4.235 1.00 0.00 H new ATOM 0 HG3 ARG B 235 12.057 -6.570 2.861 1.00 0.00 H new ATOM 0 HD2 ARG B 235 13.660 -8.779 4.202 1.00 0.00 H new ATOM 0 HD3 ARG B 235 12.626 -9.036 2.810 1.00 0.00 H new ATOM 0 HE ARG B 235 14.277 -6.946 2.019 1.00 0.00 H new ATOM 0 HH11 ARG B 235 14.794 -10.208 3.260 1.00 0.00 H new ATOM 0 HH12 ARG B 235 16.321 -10.408 2.395 1.00 0.00 H new ATOM 0 HH21 ARG B 235 16.201 -7.224 0.913 1.00 0.00 H new ATOM 0 HH22 ARG B 235 17.112 -8.729 1.074 1.00 0.00 H new ATOM 1360 N LYS B 236 12.655 -4.519 7.379 1.00 0.00 N ATOM 1361 CA LYS B 236 12.209 -4.471 8.771 1.00 0.00 C ATOM 1362 C LYS B 236 10.882 -3.722 8.868 1.00 0.00 C ATOM 1363 O LYS B 236 10.009 -4.082 9.658 1.00 0.00 O ATOM 1364 CB LYS B 236 13.262 -3.805 9.652 1.00 0.00 C ATOM 1365 CG LYS B 236 13.684 -4.664 10.829 1.00 0.00 C ATOM 1366 CD LYS B 236 14.525 -3.868 11.806 1.00 0.00 C ATOM 1367 CE LYS B 236 13.695 -3.372 12.981 1.00 0.00 C ATOM 1368 NZ LYS B 236 13.599 -4.394 14.064 1.00 0.00 N ATOM 0 H LYS B 236 13.624 -4.239 7.231 1.00 0.00 H new ATOM 0 HA LYS B 236 12.065 -5.492 9.126 1.00 0.00 H new ATOM 0 HB2 LYS B 236 14.138 -3.572 9.047 1.00 0.00 H new ATOM 0 HB3 LYS B 236 12.870 -2.858 10.023 1.00 0.00 H new ATOM 0 HG2 LYS B 236 12.801 -5.052 11.336 1.00 0.00 H new ATOM 0 HG3 LYS B 236 14.251 -5.524 10.472 1.00 0.00 H new ATOM 0 HD2 LYS B 236 15.343 -4.488 12.173 1.00 0.00 H new ATOM 0 HD3 LYS B 236 14.975 -3.018 11.292 1.00 0.00 H new ATOM 0 HE2 LYS B 236 14.139 -2.460 13.380 1.00 0.00 H new ATOM 0 HE3 LYS B 236 12.694 -3.114 12.635 1.00 0.00 H new ATOM 0 HZ1 LYS B 236 13.026 -4.018 14.846 1.00 0.00 H new ATOM 0 HZ2 LYS B 236 13.152 -5.255 13.690 1.00 0.00 H new ATOM 0 HZ3 LYS B 236 14.552 -4.622 14.412 1.00 0.00 H new ATOM 1382 N LEU B 237 10.733 -2.689 8.033 1.00 0.00 N ATOM 1383 CA LEU B 237 9.505 -1.896 7.991 1.00 0.00 C ATOM 1384 C LEU B 237 8.272 -2.787 7.764 1.00 0.00 C ATOM 1385 O LEU B 237 7.171 -2.450 8.200 1.00 0.00 O ATOM 1386 CB LEU B 237 9.601 -0.838 6.885 1.00 0.00 C ATOM 1387 CG LEU B 237 8.577 0.297 6.969 1.00 0.00 C ATOM 1388 CD1 LEU B 237 8.558 0.907 8.360 1.00 0.00 C ATOM 1389 CD2 LEU B 237 8.883 1.360 5.926 1.00 0.00 C ATOM 0 H LEU B 237 11.451 -2.383 7.376 1.00 0.00 H new ATOM 0 HA LEU B 237 9.389 -1.401 8.955 1.00 0.00 H new ATOM 0 HB2 LEU B 237 10.601 -0.404 6.907 1.00 0.00 H new ATOM 0 HB3 LEU B 237 9.490 -1.334 5.921 1.00 0.00 H new ATOM 0 HG LEU B 237 7.589 -0.117 6.768 1.00 0.00 H new ATOM 0 HD11 LEU B 237 7.823 1.711 8.395 1.00 0.00 H new ATOM 0 HD12 LEU B 237 8.293 0.142 9.089 1.00 0.00 H new ATOM 0 HD13 LEU B 237 9.544 1.307 8.595 1.00 0.00 H new ATOM 0 HD21 LEU B 237 8.147 2.161 5.996 1.00 0.00 H new ATOM 0 HD22 LEU B 237 9.879 1.766 6.101 1.00 0.00 H new ATOM 0 HD23 LEU B 237 8.842 0.916 4.931 1.00 0.00 H new HETATM 1401 N NLE B 238 8.462 -3.932 7.095 1.00 0.00 N HETATM 1402 CA NLE B 238 7.357 -4.865 6.837 1.00 0.00 C HETATM 1403 C NLE B 238 6.792 -5.415 8.147 1.00 0.00 C HETATM 1404 O NLE B 238 5.585 -5.642 8.266 1.00 0.00 O HETATM 1405 CB NLE B 238 7.817 -6.019 5.935 1.00 0.00 C HETATM 1406 CG NLE B 238 8.511 -5.563 4.659 1.00 0.00 C HETATM 1407 CD NLE B 238 8.284 -6.541 3.523 1.00 0.00 C HETATM 1408 CE NLE B 238 7.056 -6.229 2.710 1.00 0.00 C HETATM 0 HG3 NLE B 238 8.139 -4.579 4.373 1.00 0.00 H new HETATM 0 HG2 NLE B 238 9.580 -5.459 4.843 1.00 0.00 H new HETATM 0 HE3 NLE B 238 6.176 -6.261 3.353 1.00 0.00 H new HETATM 0 HE2 NLE B 238 7.151 -5.234 2.274 1.00 0.00 H new HETATM 0 HE1 NLE B 238 6.950 -6.965 1.913 1.00 0.00 H new HETATM 0 HD3 NLE B 238 9.156 -6.537 2.869 1.00 0.00 H new HETATM 0 HD2 NLE B 238 8.196 -7.548 3.931 1.00 0.00 H new HETATM 0 HB3 NLE B 238 8.496 -6.659 6.498 1.00 0.00 H new HETATM 0 HB2 NLE B 238 6.952 -6.627 5.670 1.00 0.00 H new HETATM 0 HA NLE B 238 6.569 -4.315 6.323 1.00 0.00 H new ATOM 1420 N GLU B 239 7.668 -5.601 9.134 1.00 0.00 N ATOM 1421 CA GLU B 239 7.263 -6.096 10.450 1.00 0.00 C ATOM 1422 C GLU B 239 6.188 -5.188 11.054 1.00 0.00 C ATOM 1423 O GLU B 239 5.307 -5.648 11.781 1.00 0.00 O ATOM 1424 CB GLU B 239 8.479 -6.169 11.378 1.00 0.00 C ATOM 1425 CG GLU B 239 8.130 -6.489 12.825 1.00 0.00 C ATOM 1426 CD GLU B 239 8.577 -7.875 13.243 1.00 0.00 C ATOM 1427 OE1 GLU B 239 7.960 -8.861 12.787 1.00 0.00 O ATOM 1428 OE2 GLU B 239 9.540 -7.972 14.033 1.00 0.00 O ATOM 0 H GLU B 239 8.667 -5.415 9.047 1.00 0.00 H new ATOM 0 HA GLU B 239 6.845 -7.096 10.336 1.00 0.00 H new ATOM 0 HB2 GLU B 239 9.165 -6.928 11.003 1.00 0.00 H new ATOM 0 HB3 GLU B 239 9.008 -5.217 11.344 1.00 0.00 H new ATOM 0 HG2 GLU B 239 8.594 -5.750 13.478 1.00 0.00 H new ATOM 0 HG3 GLU B 239 7.052 -6.403 12.962 1.00 0.00 H new ATOM 1435 N ILE B 240 6.261 -3.897 10.728 1.00 0.00 N ATOM 1436 CA ILE B 240 5.294 -2.917 11.219 1.00 0.00 C ATOM 1437 C ILE B 240 3.886 -3.203 10.683 1.00 0.00 C ATOM 1438 O ILE B 240 2.896 -2.965 11.376 1.00 0.00 O ATOM 1439 CB ILE B 240 5.703 -1.476 10.827 1.00 0.00 C ATOM 1440 CG1 ILE B 240 6.846 -0.984 11.711 1.00 0.00 C ATOM 1441 CG2 ILE B 240 4.516 -0.527 10.931 1.00 0.00 C ATOM 1442 CD1 ILE B 240 7.147 0.489 11.534 1.00 0.00 C ATOM 0 H ILE B 240 6.983 -3.505 10.123 1.00 0.00 H new ATOM 0 HA ILE B 240 5.285 -3.002 12.306 1.00 0.00 H new ATOM 0 HB ILE B 240 6.042 -1.493 9.791 1.00 0.00 H new ATOM 0 HG12 ILE B 240 6.597 -1.174 12.755 1.00 0.00 H new ATOM 0 HG13 ILE B 240 7.743 -1.561 11.487 1.00 0.00 H new ATOM 0 HG21 ILE B 240 4.829 0.479 10.651 1.00 0.00 H new ATOM 0 HG22 ILE B 240 3.724 -0.861 10.261 1.00 0.00 H new ATOM 0 HG23 ILE B 240 4.145 -0.519 11.956 1.00 0.00 H new ATOM 0 HD11 ILE B 240 7.969 0.774 12.191 1.00 0.00 H new ATOM 0 HD12 ILE B 240 7.427 0.681 10.498 1.00 0.00 H new ATOM 0 HD13 ILE B 240 6.262 1.074 11.785 1.00 0.00 H new ATOM 1454 N ILE B 241 3.799 -3.707 9.448 1.00 0.00 N ATOM 1455 CA ILE B 241 2.500 -4.009 8.843 1.00 0.00 C ATOM 1456 C ILE B 241 1.723 -5.028 9.678 1.00 0.00 C ATOM 1457 O ILE B 241 0.587 -4.776 10.090 1.00 0.00 O ATOM 1458 CB ILE B 241 2.620 -4.548 7.395 1.00 0.00 C ATOM 1459 CG1 ILE B 241 3.655 -3.776 6.567 1.00 0.00 C ATOM 1460 CG2 ILE B 241 1.267 -4.471 6.718 1.00 0.00 C ATOM 1461 CD1 ILE B 241 3.462 -2.274 6.590 1.00 0.00 C ATOM 0 H ILE B 241 4.603 -3.912 8.854 1.00 0.00 H new ATOM 0 HA ILE B 241 1.964 -3.060 8.814 1.00 0.00 H new ATOM 0 HB ILE B 241 2.959 -5.582 7.455 1.00 0.00 H new ATOM 0 HG12 ILE B 241 4.652 -4.010 6.940 1.00 0.00 H new ATOM 0 HG13 ILE B 241 3.611 -4.122 5.534 1.00 0.00 H new ATOM 0 HG21 ILE B 241 1.348 -4.849 5.699 1.00 0.00 H new ATOM 0 HG22 ILE B 241 0.548 -5.073 7.273 1.00 0.00 H new ATOM 0 HG23 ILE B 241 0.930 -3.435 6.694 1.00 0.00 H new ATOM 0 HD11 ILE B 241 4.232 -1.799 5.982 1.00 0.00 H new ATOM 0 HD12 ILE B 241 2.479 -2.027 6.189 1.00 0.00 H new ATOM 0 HD13 ILE B 241 3.536 -1.913 7.616 1.00 0.00 H new TER 1473 ILE B 241