USER MOD reduce.3.24.130724 H: found=0, std=0, add=1019, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1021 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 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 127 TYR OH : rot 60:sc= 0.975 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 34:sc= 0.372 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -34:sc= 0.29 USER MOD Single : A 21 THR OG1 : rot 141:sc= -0.0133 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 63:sc= 0.595 USER MOD Single : A 31 THR OG1 : rot -123:sc= 0.59 USER MOD Single : A 32 THR OG1 : rot -130:sc= -0.243 USER MOD Single : A 33 GLN : amide:sc= -0.981 K(o=-0.98,f=-2) USER MOD Single : A 37 GLN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 40 THR OG1 : rot -61:sc= -0.375 USER MOD Single : A 41 HIS : no HD1:sc= -0.0238 X(o=-0.024,f=-0.081) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -5.87! C(o=-5.9!,f=-6.2!) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -0:sc= 0.602 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -10.7! C(o=-11!,f=-11!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -45:sc= 0.00657 USER MOD Single : A 87 HIS : no HE2:sc= -2.01! C(o=-2!,f=-3!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= -2.05! USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0196 USER MOD Single : A 98 LYS NZ :NH3+ -161:sc= 0.275 (180deg=0.146) USER MOD Single : A 99 ASN : amide:sc= 0.256 X(o=0.26,f=0) USER MOD Single : A 102 THR OG1 : rot 61:sc= -1.15 USER MOD Single : A 105 CYS SG : rot 180:sc= -1.69 USER MOD Single : A 106 MET CE :methyl 178:sc= -2.35 (180deg=-2.37) USER MOD Single : A 119 THR OG1 : rot 69:sc= 1.02 USER MOD Single : A 121 GLN : amide:sc= -0.0905 K(o=-0.091,f=-1.9!) USER MOD Single : A 124 GLN : amide:sc= -5.03! C(o=-5!,f=-13!) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 132 LYS NZ :NH3+ 165:sc= -2.04! (180deg=-2.81!) USER MOD Single : A 133 GLN : amide:sc= -0.142 K(o=-0.14,f=-2.3!) USER MOD Single : A 134 THR OG1 : rot -100:sc= -1.01 USER MOD Single : A 137 TYR OH : rot 50:sc= -0.174 USER MOD ----------------------------------------------------------------- ATOM 66 N ILE A 8 20.196 -0.610 5.542 1.00 0.00 N ATOM 67 CA ILE A 8 19.057 -1.474 5.827 1.00 0.00 C ATOM 68 C ILE A 8 18.488 -2.075 4.547 1.00 0.00 C ATOM 69 O ILE A 8 18.339 -1.400 3.528 1.00 0.00 O ATOM 70 CB ILE A 8 17.940 -0.709 6.562 1.00 0.00 C ATOM 71 CG1 ILE A 8 18.117 -0.837 8.077 1.00 0.00 C ATOM 72 CG2 ILE A 8 16.575 -1.228 6.137 1.00 0.00 C ATOM 73 CD1 ILE A 8 16.825 -0.686 8.850 1.00 0.00 C ATOM 0 HA ILE A 8 19.422 -2.275 6.470 1.00 0.00 H new ATOM 0 HB ILE A 8 18.005 0.346 6.295 1.00 0.00 H new ATOM 0 HG12 ILE A 8 18.555 -1.809 8.303 1.00 0.00 H new ATOM 0 HG13 ILE A 8 18.825 -0.082 8.417 1.00 0.00 H new ATOM 0 HG21 ILE A 8 15.796 -0.678 6.665 1.00 0.00 H new ATOM 0 HG22 ILE A 8 16.452 -1.091 5.063 1.00 0.00 H new ATOM 0 HG23 ILE A 8 16.497 -2.288 6.378 1.00 0.00 H new ATOM 0 HD11 ILE A 8 17.025 -0.788 9.917 1.00 0.00 H new ATOM 0 HD12 ILE A 8 16.396 0.297 8.654 1.00 0.00 H new ATOM 0 HD13 ILE A 8 16.122 -1.458 8.537 1.00 0.00 H new ATOM 85 N PRO A 9 18.161 -3.375 4.598 1.00 0.00 N ATOM 86 CA PRO A 9 17.601 -4.096 3.451 1.00 0.00 C ATOM 87 C PRO A 9 16.109 -3.834 3.274 1.00 0.00 C ATOM 88 O PRO A 9 15.386 -3.618 4.247 1.00 0.00 O ATOM 89 CB PRO A 9 17.848 -5.565 3.800 1.00 0.00 C ATOM 90 CG PRO A 9 17.873 -5.602 5.289 1.00 0.00 C ATOM 91 CD PRO A 9 18.312 -4.241 5.779 1.00 0.00 C ATOM 0 HA PRO A 9 18.058 -3.785 2.512 1.00 0.00 H new ATOM 0 HB2 PRO A 9 17.060 -6.204 3.401 1.00 0.00 H new ATOM 0 HB3 PRO A 9 18.789 -5.919 3.379 1.00 0.00 H new ATOM 0 HG2 PRO A 9 16.887 -5.849 5.681 1.00 0.00 H new ATOM 0 HG3 PRO A 9 18.558 -6.374 5.640 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.695 -3.897 6.609 1.00 0.00 H new ATOM 0 HD3 PRO A 9 19.343 -4.257 6.134 1.00 0.00 H new ATOM 99 N THR A 10 15.653 -3.855 2.026 1.00 0.00 N ATOM 100 CA THR A 10 14.247 -3.620 1.721 1.00 0.00 C ATOM 101 C THR A 10 13.757 -4.559 0.625 1.00 0.00 C ATOM 102 O THR A 10 14.529 -5.347 0.079 1.00 0.00 O ATOM 103 CB THR A 10 14.004 -2.164 1.281 1.00 0.00 C ATOM 104 OG1 THR A 10 14.782 -1.868 0.116 1.00 0.00 O ATOM 105 CG2 THR A 10 14.362 -1.194 2.397 1.00 0.00 C ATOM 0 H THR A 10 16.237 -4.033 1.209 1.00 0.00 H new ATOM 0 HA THR A 10 13.688 -3.813 2.637 1.00 0.00 H new ATOM 0 HB THR A 10 12.945 -2.050 1.049 1.00 0.00 H new ATOM 0 HG1 THR A 10 14.621 -0.941 -0.158 1.00 0.00 H new ATOM 0 HG21 THR A 10 14.182 -0.172 2.063 1.00 0.00 H new ATOM 0 HG22 THR A 10 13.747 -1.403 3.272 1.00 0.00 H new ATOM 0 HG23 THR A 10 15.414 -1.311 2.657 1.00 0.00 H new ATOM 113 N CYS A 11 12.470 -4.470 0.308 1.00 0.00 N ATOM 114 CA CYS A 11 11.877 -5.312 -0.724 1.00 0.00 C ATOM 115 C CYS A 11 10.636 -4.653 -1.317 1.00 0.00 C ATOM 116 O CYS A 11 10.138 -3.656 -0.793 1.00 0.00 O ATOM 117 CB CYS A 11 11.515 -6.682 -0.148 1.00 0.00 C ATOM 118 SG CYS A 11 12.841 -7.906 -0.267 1.00 0.00 S ATOM 0 H CYS A 11 11.817 -3.823 0.751 1.00 0.00 H new ATOM 0 HA CYS A 11 12.612 -5.442 -1.518 1.00 0.00 H new ATOM 0 HB2 CYS A 11 11.238 -6.562 0.899 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.636 -7.062 -0.668 1.00 0.00 H new ATOM 0 HG CYS A 11 13.991 -7.315 -0.130 1.00 0.00 H new ATOM 124 N LYS A 12 10.141 -5.215 -2.414 1.00 0.00 N ATOM 125 CA LYS A 12 8.958 -4.683 -3.081 1.00 0.00 C ATOM 126 C LYS A 12 7.708 -5.454 -2.668 1.00 0.00 C ATOM 127 O LYS A 12 7.748 -6.673 -2.497 1.00 0.00 O ATOM 128 CB LYS A 12 9.131 -4.747 -4.600 1.00 0.00 C ATOM 129 CG LYS A 12 7.993 -4.100 -5.370 1.00 0.00 C ATOM 130 CD LYS A 12 8.004 -4.512 -6.832 1.00 0.00 C ATOM 131 CE LYS A 12 9.103 -3.798 -7.604 1.00 0.00 C ATOM 132 NZ LYS A 12 8.690 -2.429 -8.020 1.00 0.00 N ATOM 0 H LYS A 12 10.541 -6.040 -2.861 1.00 0.00 H new ATOM 0 HA LYS A 12 8.838 -3.643 -2.779 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.066 -4.258 -4.872 1.00 0.00 H new ATOM 0 HB3 LYS A 12 9.217 -5.790 -4.904 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.041 -4.381 -4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.073 -3.015 -5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.147 -5.590 -6.906 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.037 -4.287 -7.282 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.999 -3.735 -6.986 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.365 -4.382 -8.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.466 -1.976 -8.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.850 -2.490 -8.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.464 -1.863 -7.177 1.00 0.00 H new ATOM 146 N ILE A 13 6.601 -4.736 -2.512 1.00 0.00 N ATOM 147 CA ILE A 13 5.339 -5.354 -2.123 1.00 0.00 C ATOM 148 C ILE A 13 4.281 -5.172 -3.205 1.00 0.00 C ATOM 149 O ILE A 13 3.469 -4.248 -3.146 1.00 0.00 O ATOM 150 CB ILE A 13 4.811 -4.769 -0.800 1.00 0.00 C ATOM 151 CG1 ILE A 13 5.784 -5.071 0.342 1.00 0.00 C ATOM 152 CG2 ILE A 13 3.430 -5.328 -0.488 1.00 0.00 C ATOM 153 CD1 ILE A 13 5.981 -6.550 0.593 1.00 0.00 C ATOM 0 H ILE A 13 6.552 -3.726 -2.649 1.00 0.00 H new ATOM 0 HA ILE A 13 5.537 -6.417 -1.988 1.00 0.00 H new ATOM 0 HB ILE A 13 4.729 -3.687 -0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.749 -4.617 0.116 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.417 -4.602 1.255 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.070 -4.905 0.450 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.742 -5.067 -1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.488 -6.413 -0.399 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.683 -6.689 1.415 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.025 -7.006 0.851 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.377 -7.022 -0.306 1.00 0.00 H new ATOM 165 N THR A 14 4.294 -6.061 -4.193 1.00 0.00 N ATOM 166 CA THR A 14 3.335 -6.000 -5.289 1.00 0.00 C ATOM 167 C THR A 14 2.103 -6.846 -4.990 1.00 0.00 C ATOM 168 O THR A 14 2.184 -8.072 -4.909 1.00 0.00 O ATOM 169 CB THR A 14 3.962 -6.477 -6.613 1.00 0.00 C ATOM 170 OG1 THR A 14 5.366 -6.192 -6.620 1.00 0.00 O ATOM 171 CG2 THR A 14 3.297 -5.801 -7.802 1.00 0.00 C ATOM 0 H THR A 14 4.958 -6.832 -4.257 1.00 0.00 H new ATOM 0 HA THR A 14 3.039 -4.956 -5.391 1.00 0.00 H new ATOM 0 HB THR A 14 3.809 -7.553 -6.695 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.758 -6.500 -7.464 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.757 -6.154 -8.725 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.234 -6.043 -7.810 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.423 -4.721 -7.724 1.00 0.00 H new ATOM 179 N LEU A 15 0.962 -6.185 -4.828 1.00 0.00 N ATOM 180 CA LEU A 15 -0.289 -6.878 -4.538 1.00 0.00 C ATOM 181 C LEU A 15 -1.339 -6.573 -5.602 1.00 0.00 C ATOM 182 O LEU A 15 -1.529 -5.420 -5.990 1.00 0.00 O ATOM 183 CB LEU A 15 -0.811 -6.473 -3.159 1.00 0.00 C ATOM 184 CG LEU A 15 0.160 -6.658 -1.992 1.00 0.00 C ATOM 185 CD1 LEU A 15 -0.170 -5.692 -0.865 1.00 0.00 C ATOM 186 CD2 LEU A 15 0.125 -8.095 -1.493 1.00 0.00 C ATOM 0 H LEU A 15 0.877 -5.171 -4.892 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.092 -7.950 -4.544 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.105 -5.424 -3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.712 -7.049 -2.950 1.00 0.00 H new ATOM 0 HG LEU A 15 1.168 -6.441 -2.345 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.531 -5.838 -0.043 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.093 -4.668 -1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.185 -5.877 -0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.822 -8.209 -0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.883 -8.339 -1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.411 -8.768 -2.301 1.00 0.00 H new ATOM 198 N LYS A 16 -2.020 -7.614 -6.069 1.00 0.00 N ATOM 199 CA LYS A 16 -3.054 -7.460 -7.085 1.00 0.00 C ATOM 200 C LYS A 16 -4.358 -8.112 -6.638 1.00 0.00 C ATOM 201 O LYS A 16 -4.502 -9.333 -6.693 1.00 0.00 O ATOM 202 CB LYS A 16 -2.592 -8.072 -8.409 1.00 0.00 C ATOM 203 CG LYS A 16 -1.549 -7.239 -9.134 1.00 0.00 C ATOM 204 CD LYS A 16 -1.433 -7.639 -10.595 1.00 0.00 C ATOM 205 CE LYS A 16 -0.492 -8.820 -10.776 1.00 0.00 C ATOM 206 NZ LYS A 16 -0.175 -9.062 -12.211 1.00 0.00 N ATOM 0 H LYS A 16 -1.874 -8.575 -5.759 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.232 -6.394 -7.227 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.183 -9.064 -8.218 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.456 -8.203 -9.060 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.813 -6.184 -9.065 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.582 -7.359 -8.645 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.419 -7.895 -10.983 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.072 -6.792 -11.178 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.431 -8.636 -10.226 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.945 -9.714 -10.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.469 -9.875 -12.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.053 -9.262 -12.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.281 -8.218 -12.613 1.00 0.00 H new ATOM 220 N GLU A 17 -5.305 -7.290 -6.197 1.00 0.00 N ATOM 221 CA GLU A 17 -6.598 -7.790 -5.742 1.00 0.00 C ATOM 222 C GLU A 17 -7.731 -7.212 -6.585 1.00 0.00 C ATOM 223 O GLU A 17 -7.666 -6.067 -7.034 1.00 0.00 O ATOM 224 CB GLU A 17 -6.814 -7.440 -4.268 1.00 0.00 C ATOM 225 CG GLU A 17 -8.101 -8.004 -3.691 1.00 0.00 C ATOM 226 CD GLU A 17 -7.972 -9.461 -3.290 1.00 0.00 C ATOM 227 OE1 GLU A 17 -7.583 -10.280 -4.149 1.00 0.00 O ATOM 228 OE2 GLU A 17 -8.259 -9.782 -2.118 1.00 0.00 O ATOM 0 H GLU A 17 -5.202 -6.277 -6.145 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.601 -8.874 -5.855 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.971 -7.814 -3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.821 -6.356 -4.158 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.393 -7.416 -2.821 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -8.899 -7.903 -4.426 1.00 0.00 H new ATOM 235 N THR A 18 -8.771 -8.013 -6.795 1.00 0.00 N ATOM 236 CA THR A 18 -9.919 -7.583 -7.584 1.00 0.00 C ATOM 237 C THR A 18 -11.052 -7.097 -6.688 1.00 0.00 C ATOM 238 O THR A 18 -11.482 -7.803 -5.776 1.00 0.00 O ATOM 239 CB THR A 18 -10.442 -8.722 -8.481 1.00 0.00 C ATOM 240 OG1 THR A 18 -9.343 -9.473 -9.009 1.00 0.00 O ATOM 241 CG2 THR A 18 -11.281 -8.169 -9.623 1.00 0.00 C ATOM 0 H THR A 18 -8.842 -8.963 -6.430 1.00 0.00 H new ATOM 0 HA THR A 18 -9.579 -6.760 -8.213 1.00 0.00 H new ATOM 0 HB THR A 18 -11.069 -9.375 -7.874 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.585 -8.873 -9.171 1.00 0.00 H new ATOM 0 HG21 THR A 18 -11.639 -8.991 -10.243 1.00 0.00 H new ATOM 0 HG22 THR A 18 -12.132 -7.623 -9.217 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.673 -7.496 -10.228 1.00 0.00 H new ATOM 249 N PHE A 19 -11.532 -5.887 -6.953 1.00 0.00 N ATOM 250 CA PHE A 19 -12.616 -5.305 -6.170 1.00 0.00 C ATOM 251 C PHE A 19 -13.931 -5.349 -6.943 1.00 0.00 C ATOM 252 O PHE A 19 -13.969 -5.067 -8.142 1.00 0.00 O ATOM 253 CB PHE A 19 -12.282 -3.861 -5.791 1.00 0.00 C ATOM 254 CG PHE A 19 -11.243 -3.749 -4.713 1.00 0.00 C ATOM 255 CD1 PHE A 19 -9.898 -3.904 -5.009 1.00 0.00 C ATOM 256 CD2 PHE A 19 -11.610 -3.487 -3.403 1.00 0.00 C ATOM 257 CE1 PHE A 19 -8.940 -3.802 -4.019 1.00 0.00 C ATOM 258 CE2 PHE A 19 -10.656 -3.383 -2.408 1.00 0.00 C ATOM 259 CZ PHE A 19 -9.319 -3.540 -2.717 1.00 0.00 C ATOM 0 H PHE A 19 -11.187 -5.290 -7.705 1.00 0.00 H new ATOM 0 HA PHE A 19 -12.730 -5.895 -5.260 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -11.932 -3.333 -6.678 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -13.192 -3.361 -5.460 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.595 -4.107 -6.026 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.654 -3.363 -3.156 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.895 -3.927 -4.263 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.956 -3.179 -1.391 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.571 -3.458 -1.942 1.00 0.00 H new ATOM 269 N LEU A 20 -15.006 -5.706 -6.250 1.00 0.00 N ATOM 270 CA LEU A 20 -16.324 -5.789 -6.870 1.00 0.00 C ATOM 271 C LEU A 20 -16.963 -4.408 -6.976 1.00 0.00 C ATOM 272 O LEU A 20 -18.169 -4.253 -6.778 1.00 0.00 O ATOM 273 CB LEU A 20 -17.230 -6.723 -6.066 1.00 0.00 C ATOM 274 CG LEU A 20 -16.941 -8.218 -6.201 1.00 0.00 C ATOM 275 CD1 LEU A 20 -17.276 -8.703 -7.603 1.00 0.00 C ATOM 276 CD2 LEU A 20 -15.485 -8.512 -5.867 1.00 0.00 C ATOM 0 H LEU A 20 -14.991 -5.943 -5.258 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.201 -6.190 -7.876 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -17.154 -6.452 -5.013 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.262 -6.544 -6.368 1.00 0.00 H new ATOM 0 HG LEU A 20 -17.572 -8.755 -5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.064 -9.769 -7.680 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -18.333 -8.528 -7.806 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.672 -8.160 -8.330 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -15.297 -9.581 -5.968 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -14.837 -7.963 -6.550 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.277 -8.203 -4.843 1.00 0.00 H new ATOM 288 N THR A 21 -16.148 -3.406 -7.291 1.00 0.00 N ATOM 289 CA THR A 21 -16.633 -2.039 -7.424 1.00 0.00 C ATOM 290 C THR A 21 -15.897 -1.299 -8.536 1.00 0.00 C ATOM 291 O THR A 21 -14.839 -1.736 -8.989 1.00 0.00 O ATOM 292 CB THR A 21 -16.473 -1.255 -6.108 1.00 0.00 C ATOM 293 OG1 THR A 21 -17.236 -0.044 -6.162 1.00 0.00 O ATOM 294 CG2 THR A 21 -15.010 -0.927 -5.848 1.00 0.00 C ATOM 0 H THR A 21 -15.148 -3.517 -7.459 1.00 0.00 H new ATOM 0 HA THR A 21 -17.692 -2.103 -7.674 1.00 0.00 H new ATOM 0 HB THR A 21 -16.840 -1.879 -5.293 1.00 0.00 H new ATOM 0 HG1 THR A 21 -17.655 0.118 -5.291 1.00 0.00 H new ATOM 0 HG21 THR A 21 -14.922 -0.373 -4.913 1.00 0.00 H new ATOM 0 HG22 THR A 21 -14.437 -1.851 -5.778 1.00 0.00 H new ATOM 0 HG23 THR A 21 -14.622 -0.321 -6.667 1.00 0.00 H new ATOM 302 N SER A 22 -16.463 -0.178 -8.970 1.00 0.00 N ATOM 303 CA SER A 22 -15.861 0.621 -10.031 1.00 0.00 C ATOM 304 C SER A 22 -14.691 1.441 -9.496 1.00 0.00 C ATOM 305 O SER A 22 -14.650 1.823 -8.327 1.00 0.00 O ATOM 306 CB SER A 22 -16.905 1.548 -10.656 1.00 0.00 C ATOM 307 OG SER A 22 -17.498 2.382 -9.676 1.00 0.00 O ATOM 0 H SER A 22 -17.338 0.198 -8.603 1.00 0.00 H new ATOM 0 HA SER A 22 -15.486 -0.059 -10.796 1.00 0.00 H new ATOM 0 HB2 SER A 22 -16.437 2.162 -11.425 1.00 0.00 H new ATOM 0 HB3 SER A 22 -17.676 0.954 -11.147 1.00 0.00 H new ATOM 0 HG SER A 22 -18.160 2.966 -10.101 1.00 0.00 H new ATOM 313 N PRO A 23 -13.715 1.720 -10.373 1.00 0.00 N ATOM 314 CA PRO A 23 -12.526 2.498 -10.014 1.00 0.00 C ATOM 315 C PRO A 23 -12.876 3.777 -9.261 1.00 0.00 C ATOM 316 O PRO A 23 -12.486 3.955 -8.107 1.00 0.00 O ATOM 317 CB PRO A 23 -11.896 2.831 -11.369 1.00 0.00 C ATOM 318 CG PRO A 23 -12.355 1.743 -12.277 1.00 0.00 C ATOM 319 CD PRO A 23 -13.697 1.297 -11.784 1.00 0.00 C ATOM 0 HA PRO A 23 -11.865 1.946 -9.346 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -12.220 3.808 -11.727 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.808 2.860 -11.304 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.421 2.101 -13.305 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.648 0.914 -12.273 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -14.505 1.760 -12.350 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -13.819 0.218 -11.879 1.00 0.00 H new ATOM 327 N GLU A 24 -13.614 4.664 -9.921 1.00 0.00 N ATOM 328 CA GLU A 24 -14.016 5.926 -9.312 1.00 0.00 C ATOM 329 C GLU A 24 -14.402 5.727 -7.849 1.00 0.00 C ATOM 330 O GLU A 24 -14.078 6.550 -6.994 1.00 0.00 O ATOM 331 CB GLU A 24 -15.189 6.539 -10.081 1.00 0.00 C ATOM 332 CG GLU A 24 -16.540 5.966 -9.687 1.00 0.00 C ATOM 333 CD GLU A 24 -17.661 6.442 -10.591 1.00 0.00 C ATOM 334 OE1 GLU A 24 -17.613 6.146 -11.803 1.00 0.00 O ATOM 335 OE2 GLU A 24 -18.587 7.110 -10.085 1.00 0.00 O ATOM 0 H GLU A 24 -13.945 4.532 -10.877 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.166 6.607 -9.356 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -15.198 7.616 -9.915 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -15.034 6.382 -11.149 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -16.492 4.877 -9.717 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -16.764 6.247 -8.658 1.00 0.00 H new ATOM 342 N GLU A 25 -15.095 4.628 -7.571 1.00 0.00 N ATOM 343 CA GLU A 25 -15.526 4.321 -6.212 1.00 0.00 C ATOM 344 C GLU A 25 -14.326 4.145 -5.287 1.00 0.00 C ATOM 345 O GLU A 25 -14.093 4.958 -4.392 1.00 0.00 O ATOM 346 CB GLU A 25 -16.384 3.053 -6.199 1.00 0.00 C ATOM 347 CG GLU A 25 -17.413 3.026 -5.082 1.00 0.00 C ATOM 348 CD GLU A 25 -18.115 4.358 -4.903 1.00 0.00 C ATOM 349 OE1 GLU A 25 -18.962 4.703 -5.753 1.00 0.00 O ATOM 350 OE2 GLU A 25 -17.817 5.057 -3.911 1.00 0.00 O ATOM 0 H GLU A 25 -15.370 3.936 -8.268 1.00 0.00 H new ATOM 0 HA GLU A 25 -16.122 5.159 -5.850 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -16.897 2.962 -7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -15.732 2.185 -6.102 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -18.154 2.255 -5.294 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -16.923 2.749 -4.148 1.00 0.00 H new ATOM 357 N LEU A 26 -13.567 3.077 -5.509 1.00 0.00 N ATOM 358 CA LEU A 26 -12.389 2.793 -4.696 1.00 0.00 C ATOM 359 C LEU A 26 -11.422 3.972 -4.708 1.00 0.00 C ATOM 360 O LEU A 26 -10.624 4.143 -3.786 1.00 0.00 O ATOM 361 CB LEU A 26 -11.685 1.535 -5.206 1.00 0.00 C ATOM 362 CG LEU A 26 -10.707 0.873 -4.234 1.00 0.00 C ATOM 363 CD1 LEU A 26 -11.458 0.209 -3.091 1.00 0.00 C ATOM 364 CD2 LEU A 26 -9.836 -0.141 -4.962 1.00 0.00 C ATOM 0 H LEU A 26 -13.746 2.394 -6.245 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.717 2.627 -3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.445 0.803 -5.480 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.144 1.790 -6.117 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.060 1.645 -3.817 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.746 -0.257 -2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.038 0.959 -2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.129 -0.552 -3.490 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.146 -0.602 -4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.467 -0.910 -5.407 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.270 0.362 -5.746 1.00 0.00 H new ATOM 376 N TYR A 27 -11.499 4.784 -5.756 1.00 0.00 N ATOM 377 CA TYR A 27 -10.630 5.947 -5.889 1.00 0.00 C ATOM 378 C TYR A 27 -10.833 6.914 -4.726 1.00 0.00 C ATOM 379 O TYR A 27 -9.978 7.754 -4.446 1.00 0.00 O ATOM 380 CB TYR A 27 -10.898 6.662 -7.214 1.00 0.00 C ATOM 381 CG TYR A 27 -9.913 7.768 -7.515 1.00 0.00 C ATOM 382 CD1 TYR A 27 -8.555 7.601 -7.271 1.00 0.00 C ATOM 383 CD2 TYR A 27 -10.339 8.981 -8.043 1.00 0.00 C ATOM 384 CE1 TYR A 27 -7.651 8.609 -7.544 1.00 0.00 C ATOM 385 CE2 TYR A 27 -9.442 9.994 -8.320 1.00 0.00 C ATOM 386 CZ TYR A 27 -8.099 9.804 -8.069 1.00 0.00 C ATOM 387 OH TYR A 27 -7.202 10.811 -8.343 1.00 0.00 O ATOM 0 H TYR A 27 -12.155 4.658 -6.527 1.00 0.00 H new ATOM 0 HA TYR A 27 -9.597 5.600 -5.874 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.870 5.932 -8.023 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -11.905 7.079 -7.195 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.200 6.667 -6.861 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.390 9.134 -8.240 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.599 8.463 -7.348 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -9.790 10.930 -8.731 1.00 0.00 H new ATOM 0 HH TYR A 27 -6.577 10.513 -9.037 1.00 0.00 H new ATOM 397 N ARG A 28 -11.971 6.787 -4.052 1.00 0.00 N ATOM 398 CA ARG A 28 -12.289 7.649 -2.919 1.00 0.00 C ATOM 399 C ARG A 28 -11.854 7.004 -1.607 1.00 0.00 C ATOM 400 O ARG A 28 -11.153 7.618 -0.803 1.00 0.00 O ATOM 401 CB ARG A 28 -13.789 7.946 -2.882 1.00 0.00 C ATOM 402 CG ARG A 28 -14.413 8.101 -4.259 1.00 0.00 C ATOM 403 CD ARG A 28 -15.863 7.642 -4.268 1.00 0.00 C ATOM 404 NE ARG A 28 -16.776 8.703 -3.849 1.00 0.00 N ATOM 405 CZ ARG A 28 -17.958 8.920 -4.413 1.00 0.00 C ATOM 406 NH1 ARG A 28 -18.370 8.154 -5.414 1.00 0.00 N ATOM 407 NH2 ARG A 28 -18.732 9.905 -3.976 1.00 0.00 N ATOM 0 H ARG A 28 -12.688 6.096 -4.270 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.744 8.585 -3.042 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.297 7.141 -2.351 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.956 8.860 -2.312 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -14.359 9.145 -4.569 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -13.842 7.522 -4.986 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -16.131 7.308 -5.270 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -15.976 6.784 -3.605 1.00 0.00 H new ATOM 0 HE ARG A 28 -16.489 9.310 -3.081 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -17.778 7.395 -5.753 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -19.279 8.323 -5.845 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -18.419 10.496 -3.206 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -19.640 10.071 -4.410 1.00 0.00 H new ATOM 421 N VAL A 29 -12.277 5.761 -1.395 1.00 0.00 N ATOM 422 CA VAL A 29 -11.932 5.032 -0.181 1.00 0.00 C ATOM 423 C VAL A 29 -10.456 5.203 0.162 1.00 0.00 C ATOM 424 O VAL A 29 -10.049 5.023 1.310 1.00 0.00 O ATOM 425 CB VAL A 29 -12.245 3.530 -0.320 1.00 0.00 C ATOM 426 CG1 VAL A 29 -11.826 2.779 0.935 1.00 0.00 C ATOM 427 CG2 VAL A 29 -13.723 3.319 -0.608 1.00 0.00 C ATOM 0 H VAL A 29 -12.859 5.238 -2.049 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.539 5.449 0.622 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.674 3.134 -1.160 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -12.055 1.720 0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.755 2.904 1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.368 3.175 1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.926 2.252 -0.703 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -14.315 3.730 0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.988 3.823 -1.537 1.00 0.00 H new ATOM 437 N PHE A 30 -9.658 5.552 -0.842 1.00 0.00 N ATOM 438 CA PHE A 30 -8.226 5.747 -0.647 1.00 0.00 C ATOM 439 C PHE A 30 -7.880 7.233 -0.604 1.00 0.00 C ATOM 440 O PHE A 30 -6.859 7.629 -0.042 1.00 0.00 O ATOM 441 CB PHE A 30 -7.439 5.061 -1.766 1.00 0.00 C ATOM 442 CG PHE A 30 -7.282 3.581 -1.567 1.00 0.00 C ATOM 443 CD1 PHE A 30 -6.195 3.073 -0.874 1.00 0.00 C ATOM 444 CD2 PHE A 30 -8.221 2.696 -2.073 1.00 0.00 C ATOM 445 CE1 PHE A 30 -6.047 1.712 -0.690 1.00 0.00 C ATOM 446 CE2 PHE A 30 -8.079 1.333 -1.892 1.00 0.00 C ATOM 447 CZ PHE A 30 -6.991 0.841 -1.199 1.00 0.00 C ATOM 0 H PHE A 30 -9.978 5.705 -1.798 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.951 5.300 0.308 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.942 5.241 -2.716 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.451 5.517 -1.837 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.455 3.749 -0.473 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.074 3.076 -2.615 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.194 1.329 -0.149 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.818 0.654 -2.292 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.878 -0.223 -1.055 1.00 0.00 H new ATOM 457 N THR A 31 -8.739 8.052 -1.204 1.00 0.00 N ATOM 458 CA THR A 31 -8.525 9.493 -1.237 1.00 0.00 C ATOM 459 C THR A 31 -9.602 10.227 -0.446 1.00 0.00 C ATOM 460 O THR A 31 -9.902 11.390 -0.717 1.00 0.00 O ATOM 461 CB THR A 31 -8.512 10.026 -2.682 1.00 0.00 C ATOM 462 OG1 THR A 31 -9.812 9.890 -3.266 1.00 0.00 O ATOM 463 CG2 THR A 31 -7.490 9.278 -3.525 1.00 0.00 C ATOM 0 H THR A 31 -9.589 7.741 -1.674 1.00 0.00 H new ATOM 0 HA THR A 31 -7.553 9.679 -0.780 1.00 0.00 H new ATOM 0 HB THR A 31 -8.235 11.080 -2.655 1.00 0.00 H new ATOM 0 HG1 THR A 31 -9.748 9.359 -4.087 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.499 9.672 -4.541 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.497 9.408 -3.094 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.741 8.217 -3.544 1.00 0.00 H new ATOM 471 N THR A 32 -10.182 9.540 0.533 1.00 0.00 N ATOM 472 CA THR A 32 -11.227 10.127 1.363 1.00 0.00 C ATOM 473 C THR A 32 -11.067 9.714 2.822 1.00 0.00 C ATOM 474 O THR A 32 -11.348 8.573 3.187 1.00 0.00 O ATOM 475 CB THR A 32 -12.629 9.715 0.876 1.00 0.00 C ATOM 476 OG1 THR A 32 -12.740 9.932 -0.535 1.00 0.00 O ATOM 477 CG2 THR A 32 -13.707 10.505 1.602 1.00 0.00 C ATOM 0 H THR A 32 -9.946 8.577 0.771 1.00 0.00 H new ATOM 0 HA THR A 32 -11.125 11.209 1.281 1.00 0.00 H new ATOM 0 HB THR A 32 -12.769 8.656 1.093 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.559 10.435 -0.725 1.00 0.00 H new ATOM 0 HG21 THR A 32 -14.689 10.197 1.242 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.638 10.316 2.673 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.568 11.569 1.412 1.00 0.00 H new ATOM 485 N GLN A 33 -10.614 10.649 3.651 1.00 0.00 N ATOM 486 CA GLN A 33 -10.417 10.381 5.070 1.00 0.00 C ATOM 487 C GLN A 33 -11.621 9.653 5.659 1.00 0.00 C ATOM 488 O GLN A 33 -11.475 8.617 6.308 1.00 0.00 O ATOM 489 CB GLN A 33 -10.175 11.687 5.829 1.00 0.00 C ATOM 490 CG GLN A 33 -10.064 11.504 7.334 1.00 0.00 C ATOM 491 CD GLN A 33 -9.743 12.798 8.057 1.00 0.00 C ATOM 492 OE1 GLN A 33 -9.515 13.832 7.430 1.00 0.00 O ATOM 493 NE2 GLN A 33 -9.725 12.746 9.384 1.00 0.00 N ATOM 0 H GLN A 33 -10.377 11.599 3.364 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.541 9.741 5.174 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.259 12.148 5.459 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.990 12.379 5.614 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.001 11.101 7.717 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.289 10.769 7.551 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.920 11.867 9.863 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.516 13.585 9.924 1.00 0.00 H new ATOM 502 N GLU A 34 -12.810 10.202 5.428 1.00 0.00 N ATOM 503 CA GLU A 34 -14.038 9.604 5.937 1.00 0.00 C ATOM 504 C GLU A 34 -14.119 8.126 5.565 1.00 0.00 C ATOM 505 O GLU A 34 -14.141 7.256 6.436 1.00 0.00 O ATOM 506 CB GLU A 34 -15.258 10.347 5.388 1.00 0.00 C ATOM 507 CG GLU A 34 -16.576 9.647 5.674 1.00 0.00 C ATOM 508 CD GLU A 34 -17.778 10.518 5.363 1.00 0.00 C ATOM 509 OE1 GLU A 34 -17.942 10.903 4.186 1.00 0.00 O ATOM 510 OE2 GLU A 34 -18.555 10.814 6.295 1.00 0.00 O ATOM 0 H GLU A 34 -12.948 11.059 4.892 1.00 0.00 H new ATOM 0 HA GLU A 34 -14.029 9.687 7.024 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.287 11.348 5.818 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.146 10.466 4.310 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -16.633 8.732 5.084 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -16.607 9.353 6.723 1.00 0.00 H new ATOM 517 N LEU A 35 -14.164 7.851 4.266 1.00 0.00 N ATOM 518 CA LEU A 35 -14.243 6.479 3.777 1.00 0.00 C ATOM 519 C LEU A 35 -13.198 5.598 4.455 1.00 0.00 C ATOM 520 O LEU A 35 -13.419 4.406 4.667 1.00 0.00 O ATOM 521 CB LEU A 35 -14.049 6.445 2.260 1.00 0.00 C ATOM 522 CG LEU A 35 -15.005 7.313 1.442 1.00 0.00 C ATOM 523 CD1 LEU A 35 -14.838 7.035 -0.044 1.00 0.00 C ATOM 524 CD2 LEU A 35 -16.444 7.073 1.872 1.00 0.00 C ATOM 0 H LEU A 35 -14.147 8.560 3.533 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.232 6.090 4.019 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -13.028 6.755 2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -14.149 5.413 1.924 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.762 8.360 1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -15.526 7.662 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.814 7.258 -0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -15.054 5.986 -0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -17.110 7.699 1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -16.700 6.025 1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.555 7.323 2.927 1.00 0.00 H new ATOM 536 N VAL A 36 -12.060 6.194 4.796 1.00 0.00 N ATOM 537 CA VAL A 36 -10.982 5.465 5.453 1.00 0.00 C ATOM 538 C VAL A 36 -11.362 5.092 6.881 1.00 0.00 C ATOM 539 O VAL A 36 -11.214 3.942 7.293 1.00 0.00 O ATOM 540 CB VAL A 36 -9.681 6.289 5.478 1.00 0.00 C ATOM 541 CG1 VAL A 36 -8.554 5.489 6.113 1.00 0.00 C ATOM 542 CG2 VAL A 36 -9.304 6.733 4.072 1.00 0.00 C ATOM 0 H VAL A 36 -11.861 7.180 4.628 1.00 0.00 H new ATOM 0 HA VAL A 36 -10.816 4.556 4.875 1.00 0.00 H new ATOM 0 HB VAL A 36 -9.848 7.180 6.083 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.643 6.087 6.122 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.825 5.226 7.135 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.385 4.579 5.537 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.382 7.314 4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -9.156 5.857 3.441 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -10.104 7.347 3.658 1.00 0.00 H new ATOM 552 N GLN A 37 -11.853 6.073 7.633 1.00 0.00 N ATOM 553 CA GLN A 37 -12.254 5.847 9.016 1.00 0.00 C ATOM 554 C GLN A 37 -13.426 4.875 9.091 1.00 0.00 C ATOM 555 O GLN A 37 -13.871 4.506 10.178 1.00 0.00 O ATOM 556 CB GLN A 37 -12.631 7.171 9.682 1.00 0.00 C ATOM 557 CG GLN A 37 -11.467 7.851 10.387 1.00 0.00 C ATOM 558 CD GLN A 37 -11.823 9.232 10.901 1.00 0.00 C ATOM 559 OE1 GLN A 37 -11.866 10.206 10.000 1.00 0.00 O flip ATOM 560 NE2 GLN A 37 -12.055 9.422 12.095 1.00 0.00 N flip ATOM 0 H GLN A 37 -11.982 7.031 7.307 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.408 5.409 9.546 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.032 7.847 8.927 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.427 6.991 10.404 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -11.140 7.230 11.221 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -10.626 7.929 9.698 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -12.011 8.644 12.753 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.292 10.357 12.426 1.00 0.00 H new ATOM 569 N ALA A 38 -13.923 4.464 7.929 1.00 0.00 N ATOM 570 CA ALA A 38 -15.043 3.533 7.863 1.00 0.00 C ATOM 571 C ALA A 38 -14.556 2.088 7.863 1.00 0.00 C ATOM 572 O ALA A 38 -15.047 1.257 8.627 1.00 0.00 O ATOM 573 CB ALA A 38 -15.886 3.808 6.627 1.00 0.00 C ATOM 0 H ALA A 38 -13.568 4.761 7.020 1.00 0.00 H new ATOM 0 HA ALA A 38 -15.659 3.681 8.750 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.719 3.105 6.591 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -16.272 4.826 6.669 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.272 3.690 5.734 1.00 0.00 H new ATOM 579 N PHE A 39 -13.589 1.794 7.000 1.00 0.00 N ATOM 580 CA PHE A 39 -13.037 0.448 6.900 1.00 0.00 C ATOM 581 C PHE A 39 -11.828 0.286 7.817 1.00 0.00 C ATOM 582 O PHE A 39 -11.122 -0.722 7.761 1.00 0.00 O ATOM 583 CB PHE A 39 -12.638 0.144 5.454 1.00 0.00 C ATOM 584 CG PHE A 39 -11.317 0.740 5.058 1.00 0.00 C ATOM 585 CD1 PHE A 39 -10.132 0.086 5.353 1.00 0.00 C ATOM 586 CD2 PHE A 39 -11.261 1.953 4.392 1.00 0.00 C ATOM 587 CE1 PHE A 39 -8.915 0.633 4.990 1.00 0.00 C ATOM 588 CE2 PHE A 39 -10.048 2.505 4.026 1.00 0.00 C ATOM 589 CZ PHE A 39 -8.873 1.843 4.325 1.00 0.00 C ATOM 0 H PHE A 39 -13.172 2.470 6.360 1.00 0.00 H new ATOM 0 HA PHE A 39 -13.806 -0.257 7.214 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.596 -0.937 5.317 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -13.412 0.520 4.785 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -10.159 -0.861 5.872 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.177 2.474 4.156 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.998 0.114 5.226 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -10.019 3.452 3.507 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.923 2.271 4.039 1.00 0.00 H new ATOM 599 N THR A 40 -11.595 1.286 8.661 1.00 0.00 N ATOM 600 CA THR A 40 -10.472 1.256 9.590 1.00 0.00 C ATOM 601 C THR A 40 -10.946 1.408 11.031 1.00 0.00 C ATOM 602 O THR A 40 -10.238 1.040 11.969 1.00 0.00 O ATOM 603 CB THR A 40 -9.454 2.369 9.276 1.00 0.00 C ATOM 604 OG1 THR A 40 -10.081 3.652 9.387 1.00 0.00 O ATOM 605 CG2 THR A 40 -8.880 2.199 7.878 1.00 0.00 C ATOM 0 H THR A 40 -12.169 2.127 8.720 1.00 0.00 H new ATOM 0 HA THR A 40 -9.988 0.287 9.470 1.00 0.00 H new ATOM 0 HB THR A 40 -8.639 2.299 9.997 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.818 3.713 8.744 1.00 0.00 H new ATOM 0 HG21 THR A 40 -8.164 2.996 7.679 1.00 0.00 H new ATOM 0 HG22 THR A 40 -8.378 1.234 7.806 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.686 2.244 7.146 1.00 0.00 H new ATOM 613 N HIS A 41 -12.147 1.952 11.200 1.00 0.00 N ATOM 614 CA HIS A 41 -12.716 2.151 12.528 1.00 0.00 C ATOM 615 C HIS A 41 -11.661 2.674 13.498 1.00 0.00 C ATOM 616 O HIS A 41 -11.559 2.206 14.632 1.00 0.00 O ATOM 617 CB HIS A 41 -13.305 0.842 13.055 1.00 0.00 C ATOM 618 CG HIS A 41 -14.122 0.102 12.041 1.00 0.00 C ATOM 619 ND1 HIS A 41 -15.491 0.234 11.937 1.00 0.00 N ATOM 620 CD2 HIS A 41 -13.757 -0.780 11.082 1.00 0.00 C ATOM 621 CE1 HIS A 41 -15.932 -0.536 10.958 1.00 0.00 C ATOM 622 NE2 HIS A 41 -14.899 -1.162 10.423 1.00 0.00 N ATOM 0 H HIS A 41 -12.745 2.263 10.434 1.00 0.00 H new ATOM 0 HA HIS A 41 -13.511 2.893 12.448 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -12.493 0.199 13.395 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -13.927 1.057 13.924 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -12.753 -1.120 10.874 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -16.962 -0.636 10.648 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -14.943 -1.822 9.646 1.00 0.00 H new ATOM 631 N ALA A 42 -10.877 3.647 13.044 1.00 0.00 N ATOM 632 CA ALA A 42 -9.831 4.234 13.872 1.00 0.00 C ATOM 633 C ALA A 42 -9.476 5.638 13.394 1.00 0.00 C ATOM 634 O ALA A 42 -9.584 5.963 12.212 1.00 0.00 O ATOM 635 CB ALA A 42 -8.596 3.346 13.871 1.00 0.00 C ATOM 0 H ALA A 42 -10.947 4.045 12.107 1.00 0.00 H new ATOM 0 HA ALA A 42 -10.209 4.310 14.892 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.823 3.797 14.493 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.854 2.364 14.267 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.225 3.240 12.852 1.00 0.00 H new ATOM 641 N PRO A 43 -9.042 6.492 14.333 1.00 0.00 N ATOM 642 CA PRO A 43 -8.663 7.875 14.031 1.00 0.00 C ATOM 643 C PRO A 43 -7.733 7.971 12.826 1.00 0.00 C ATOM 644 O PRO A 43 -6.514 7.870 12.962 1.00 0.00 O ATOM 645 CB PRO A 43 -7.941 8.330 15.302 1.00 0.00 C ATOM 646 CG PRO A 43 -8.509 7.480 16.385 1.00 0.00 C ATOM 647 CD PRO A 43 -8.888 6.172 15.762 1.00 0.00 C ATOM 0 HA PRO A 43 -9.527 8.488 13.773 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.863 8.193 15.216 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.113 9.388 15.498 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.779 7.331 17.181 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.378 7.959 16.835 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -8.119 5.416 15.922 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.813 5.781 16.186 1.00 0.00 H new ATOM 655 N ALA A 44 -8.317 8.167 11.649 1.00 0.00 N ATOM 656 CA ALA A 44 -7.539 8.279 10.421 1.00 0.00 C ATOM 657 C ALA A 44 -7.623 9.689 9.845 1.00 0.00 C ATOM 658 O ALA A 44 -8.691 10.303 9.829 1.00 0.00 O ATOM 659 CB ALA A 44 -8.019 7.260 9.398 1.00 0.00 C ATOM 0 H ALA A 44 -9.325 8.252 11.519 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.496 8.074 10.661 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -7.430 7.355 8.486 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.902 6.255 9.803 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -9.070 7.440 9.171 1.00 0.00 H new ATOM 665 N THR A 45 -6.490 10.199 9.373 1.00 0.00 N ATOM 666 CA THR A 45 -6.434 11.537 8.798 1.00 0.00 C ATOM 667 C THR A 45 -5.897 11.501 7.372 1.00 0.00 C ATOM 668 O THR A 45 -4.686 11.433 7.155 1.00 0.00 O ATOM 669 CB THR A 45 -5.553 12.476 9.643 1.00 0.00 C ATOM 670 OG1 THR A 45 -6.125 12.645 10.945 1.00 0.00 O ATOM 671 CG2 THR A 45 -5.403 13.831 8.969 1.00 0.00 C ATOM 0 H THR A 45 -5.598 9.705 9.378 1.00 0.00 H new ATOM 0 HA THR A 45 -7.455 11.919 8.789 1.00 0.00 H new ATOM 0 HB THR A 45 -4.565 12.024 9.737 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.558 13.242 11.476 1.00 0.00 H new ATOM 0 HG21 THR A 45 -4.777 14.476 9.585 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.939 13.702 7.991 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.385 14.288 8.847 1.00 0.00 H new ATOM 679 N LEU A 46 -6.804 11.548 6.402 1.00 0.00 N ATOM 680 CA LEU A 46 -6.420 11.521 4.995 1.00 0.00 C ATOM 681 C LEU A 46 -6.718 12.859 4.324 1.00 0.00 C ATOM 682 O LEU A 46 -7.759 13.467 4.567 1.00 0.00 O ATOM 683 CB LEU A 46 -7.158 10.397 4.266 1.00 0.00 C ATOM 684 CG LEU A 46 -6.474 9.846 3.014 1.00 0.00 C ATOM 685 CD1 LEU A 46 -6.741 8.356 2.873 1.00 0.00 C ATOM 686 CD2 LEU A 46 -6.944 10.594 1.775 1.00 0.00 C ATOM 0 H LEU A 46 -7.809 11.605 6.564 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.347 11.338 4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.308 9.575 4.965 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.146 10.761 3.985 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.399 9.994 3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.247 7.981 1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.353 7.833 3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.815 8.185 2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.446 10.188 0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.023 10.479 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.700 11.652 1.874 1.00 0.00 H new ATOM 698 N GLU A 47 -5.796 13.309 3.478 1.00 0.00 N ATOM 699 CA GLU A 47 -5.961 14.574 2.772 1.00 0.00 C ATOM 700 C GLU A 47 -5.662 14.409 1.284 1.00 0.00 C ATOM 701 O GLU A 47 -4.504 14.407 0.870 1.00 0.00 O ATOM 702 CB GLU A 47 -5.045 15.642 3.372 1.00 0.00 C ATOM 703 CG GLU A 47 -5.462 16.090 4.763 1.00 0.00 C ATOM 704 CD GLU A 47 -6.682 16.991 4.744 1.00 0.00 C ATOM 705 OE1 GLU A 47 -7.723 16.570 4.198 1.00 0.00 O ATOM 706 OE2 GLU A 47 -6.595 18.118 5.275 1.00 0.00 O ATOM 0 H GLU A 47 -4.928 12.817 3.265 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.998 14.891 2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.027 15.254 3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.028 16.508 2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.672 15.213 5.375 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.633 16.617 5.235 1.00 0.00 H new ATOM 713 N ALA A 48 -6.717 14.271 0.487 1.00 0.00 N ATOM 714 CA ALA A 48 -6.568 14.107 -0.954 1.00 0.00 C ATOM 715 C ALA A 48 -5.953 15.350 -1.587 1.00 0.00 C ATOM 716 O ALA A 48 -6.654 16.315 -1.893 1.00 0.00 O ATOM 717 CB ALA A 48 -7.915 13.799 -1.591 1.00 0.00 C ATOM 0 H ALA A 48 -7.683 14.270 0.815 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.894 13.269 -1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.790 13.679 -2.667 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -8.316 12.878 -1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.606 14.619 -1.396 1.00 0.00 H new ATOM 723 N ASP A 49 -4.639 15.321 -1.781 1.00 0.00 N ATOM 724 CA ASP A 49 -3.929 16.446 -2.379 1.00 0.00 C ATOM 725 C ASP A 49 -2.457 16.107 -2.593 1.00 0.00 C ATOM 726 O ASP A 49 -1.866 15.348 -1.825 1.00 0.00 O ATOM 727 CB ASP A 49 -4.056 17.685 -1.492 1.00 0.00 C ATOM 728 CG ASP A 49 -4.014 18.974 -2.289 1.00 0.00 C ATOM 729 OD1 ASP A 49 -4.657 19.032 -3.358 1.00 0.00 O ATOM 730 OD2 ASP A 49 -3.338 19.925 -1.844 1.00 0.00 O ATOM 0 H ASP A 49 -4.044 14.531 -1.533 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.380 16.655 -3.349 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.992 17.636 -0.936 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.249 17.688 -0.759 1.00 0.00 H new ATOM 735 N ARG A 50 -1.872 16.674 -3.643 1.00 0.00 N ATOM 736 CA ARG A 50 -0.470 16.431 -3.960 1.00 0.00 C ATOM 737 C ARG A 50 0.431 16.856 -2.804 1.00 0.00 C ATOM 738 O ARG A 50 0.719 18.040 -2.631 1.00 0.00 O ATOM 739 CB ARG A 50 -0.074 17.182 -5.232 1.00 0.00 C ATOM 740 CG ARG A 50 -0.452 16.455 -6.512 1.00 0.00 C ATOM 741 CD ARG A 50 0.284 17.024 -7.715 1.00 0.00 C ATOM 742 NE ARG A 50 -0.369 18.221 -8.240 1.00 0.00 N ATOM 743 CZ ARG A 50 0.249 19.126 -8.989 1.00 0.00 C ATOM 744 NH1 ARG A 50 1.529 18.972 -9.301 1.00 0.00 N ATOM 745 NH2 ARG A 50 -0.412 20.189 -9.430 1.00 0.00 N ATOM 0 H ARG A 50 -2.347 17.305 -4.289 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.342 15.361 -4.124 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.550 18.163 -5.227 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.003 17.350 -5.224 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.221 15.395 -6.411 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.527 16.533 -6.672 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.309 17.264 -7.433 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.338 16.268 -8.498 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.354 18.369 -8.019 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.041 18.156 -8.965 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.001 19.669 -9.877 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -1.397 20.312 -9.193 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.065 20.883 -10.005 1.00 0.00 H new ATOM 759 N GLY A 51 0.873 15.882 -2.015 1.00 0.00 N ATOM 760 CA GLY A 51 1.735 16.176 -0.885 1.00 0.00 C ATOM 761 C GLY A 51 1.018 16.038 0.443 1.00 0.00 C ATOM 762 O GLY A 51 1.629 16.169 1.503 1.00 0.00 O ATOM 0 H GLY A 51 0.650 14.894 -2.138 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.593 15.504 -0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.122 17.190 -0.982 1.00 0.00 H new ATOM 766 N GLY A 52 -0.284 15.774 0.387 1.00 0.00 N ATOM 767 CA GLY A 52 -1.064 15.625 1.601 1.00 0.00 C ATOM 768 C GLY A 52 -0.581 14.474 2.463 1.00 0.00 C ATOM 769 O GLY A 52 0.259 13.681 2.038 1.00 0.00 O ATOM 0 H GLY A 52 -0.812 15.661 -0.478 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.017 16.550 2.176 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.110 15.465 1.340 1.00 0.00 H new ATOM 773 N LYS A 53 -1.112 14.383 3.677 1.00 0.00 N ATOM 774 CA LYS A 53 -0.731 13.323 4.602 1.00 0.00 C ATOM 775 C LYS A 53 -1.910 12.397 4.885 1.00 0.00 C ATOM 776 O LYS A 53 -3.040 12.853 5.065 1.00 0.00 O ATOM 777 CB LYS A 53 -0.213 13.921 5.912 1.00 0.00 C ATOM 778 CG LYS A 53 1.280 14.200 5.905 1.00 0.00 C ATOM 779 CD LYS A 53 1.666 15.141 4.776 1.00 0.00 C ATOM 780 CE LYS A 53 3.065 15.704 4.973 1.00 0.00 C ATOM 781 NZ LYS A 53 3.054 16.938 5.807 1.00 0.00 N ATOM 0 H LYS A 53 -1.809 15.032 4.044 1.00 0.00 H new ATOM 0 HA LYS A 53 0.064 12.739 4.137 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.747 14.850 6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.443 13.237 6.729 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.574 14.636 6.860 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.826 13.262 5.801 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.617 14.610 3.825 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.948 15.959 4.721 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.696 14.952 5.446 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.507 15.926 4.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.026 17.291 5.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.473 17.665 5.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.656 16.721 6.743 1.00 0.00 H new ATOM 795 N PHE A 54 -1.640 11.097 4.922 1.00 0.00 N ATOM 796 CA PHE A 54 -2.679 10.107 5.184 1.00 0.00 C ATOM 797 C PHE A 54 -2.298 9.217 6.362 1.00 0.00 C ATOM 798 O PHE A 54 -1.260 8.555 6.345 1.00 0.00 O ATOM 799 CB PHE A 54 -2.922 9.251 3.940 1.00 0.00 C ATOM 800 CG PHE A 54 -1.876 8.193 3.727 1.00 0.00 C ATOM 801 CD1 PHE A 54 -1.984 6.959 4.347 1.00 0.00 C ATOM 802 CD2 PHE A 54 -0.786 8.434 2.907 1.00 0.00 C ATOM 803 CE1 PHE A 54 -1.024 5.984 4.154 1.00 0.00 C ATOM 804 CE2 PHE A 54 0.177 7.462 2.709 1.00 0.00 C ATOM 805 CZ PHE A 54 0.058 6.236 3.334 1.00 0.00 C ATOM 0 H PHE A 54 -0.711 10.704 4.774 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.597 10.638 5.436 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.899 8.774 4.022 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.956 9.899 3.064 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -2.829 6.757 4.989 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.687 9.391 2.417 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.120 5.026 4.644 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.022 7.661 2.066 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.810 5.476 3.182 1.00 0.00 H new ATOM 815 N HIS A 55 -3.145 9.206 7.387 1.00 0.00 N ATOM 816 CA HIS A 55 -2.898 8.396 8.575 1.00 0.00 C ATOM 817 C HIS A 55 -4.111 7.532 8.905 1.00 0.00 C ATOM 818 O HIS A 55 -5.247 8.006 8.886 1.00 0.00 O ATOM 819 CB HIS A 55 -2.556 9.292 9.766 1.00 0.00 C ATOM 820 CG HIS A 55 -1.507 8.716 10.666 1.00 0.00 C ATOM 821 ND1 HIS A 55 -1.323 7.360 10.836 1.00 0.00 N ATOM 822 CD2 HIS A 55 -0.581 9.321 11.447 1.00 0.00 C ATOM 823 CE1 HIS A 55 -0.331 7.156 11.684 1.00 0.00 C ATOM 824 NE2 HIS A 55 0.137 8.330 12.069 1.00 0.00 N ATOM 0 H HIS A 55 -4.008 9.749 7.419 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.052 7.740 8.369 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -2.215 10.259 9.397 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -3.461 9.473 10.346 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -0.435 10.385 11.560 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.035 6.193 12.008 1.00 0.00 H new ATOM 0 HE2 HIS A 55 0.907 8.476 12.722 1.00 0.00 H new ATOM 833 N MET A 56 -3.862 6.262 9.207 1.00 0.00 N ATOM 834 CA MET A 56 -4.934 5.332 9.542 1.00 0.00 C ATOM 835 C MET A 56 -4.449 4.275 10.529 1.00 0.00 C ATOM 836 O MET A 56 -3.251 4.155 10.785 1.00 0.00 O ATOM 837 CB MET A 56 -5.468 4.658 8.276 1.00 0.00 C ATOM 838 CG MET A 56 -4.557 4.822 7.071 1.00 0.00 C ATOM 839 SD MET A 56 -5.370 4.385 5.522 1.00 0.00 S ATOM 840 CE MET A 56 -5.388 2.598 5.640 1.00 0.00 C ATOM 0 H MET A 56 -2.928 5.853 9.227 1.00 0.00 H new ATOM 0 HA MET A 56 -5.739 5.898 10.010 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.610 3.595 8.472 1.00 0.00 H new ATOM 0 HB3 MET A 56 -6.448 5.072 8.039 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.214 5.855 7.018 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.673 4.198 7.201 1.00 0.00 H new ATOM 0 HE1 MET A 56 -5.862 2.179 4.752 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.365 2.228 5.715 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.948 2.297 6.526 1.00 0.00 H new ATOM 850 N VAL A 57 -5.387 3.511 11.080 1.00 0.00 N ATOM 851 CA VAL A 57 -5.054 2.464 12.039 1.00 0.00 C ATOM 852 C VAL A 57 -4.661 3.057 13.387 1.00 0.00 C ATOM 853 O VAL A 57 -3.585 2.771 13.913 1.00 0.00 O ATOM 854 CB VAL A 57 -3.903 1.578 11.525 1.00 0.00 C ATOM 855 CG1 VAL A 57 -3.769 0.328 12.381 1.00 0.00 C ATOM 856 CG2 VAL A 57 -4.123 1.214 10.065 1.00 0.00 C ATOM 0 H VAL A 57 -6.383 3.597 10.879 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.948 1.852 12.162 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.973 2.141 11.599 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.951 -0.286 12.003 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.562 0.614 13.412 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.698 -0.241 12.342 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.301 0.588 9.718 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.062 0.669 9.963 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.165 2.123 9.466 1.00 0.00 H new ATOM 866 N ASP A 58 -5.540 3.884 13.942 1.00 0.00 N ATOM 867 CA ASP A 58 -5.286 4.518 15.230 1.00 0.00 C ATOM 868 C ASP A 58 -3.923 5.202 15.241 1.00 0.00 C ATOM 869 O ASP A 58 -3.249 5.250 16.269 1.00 0.00 O ATOM 870 CB ASP A 58 -5.360 3.483 16.354 1.00 0.00 C ATOM 871 CG ASP A 58 -6.783 3.057 16.656 1.00 0.00 C ATOM 872 OD1 ASP A 58 -7.516 3.842 17.293 1.00 0.00 O ATOM 873 OD2 ASP A 58 -7.165 1.938 16.254 1.00 0.00 O ATOM 0 H ASP A 58 -6.435 4.131 13.520 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.053 5.276 15.392 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.773 2.607 16.077 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.909 3.897 17.256 1.00 0.00 H new ATOM 878 N GLY A 59 -3.521 5.728 14.087 1.00 0.00 N ATOM 879 CA GLY A 59 -2.240 6.401 13.985 1.00 0.00 C ATOM 880 C GLY A 59 -1.073 5.433 14.013 1.00 0.00 C ATOM 881 O GLY A 59 -0.178 5.554 14.847 1.00 0.00 O ATOM 0 H GLY A 59 -4.060 5.700 13.222 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.208 6.977 13.060 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.139 7.111 14.806 1.00 0.00 H new ATOM 885 N ASN A 60 -1.084 4.469 13.098 1.00 0.00 N ATOM 886 CA ASN A 60 -0.020 3.475 13.022 1.00 0.00 C ATOM 887 C ASN A 60 0.634 3.482 11.643 1.00 0.00 C ATOM 888 O ASN A 60 1.780 3.061 11.486 1.00 0.00 O ATOM 889 CB ASN A 60 -0.572 2.082 13.330 1.00 0.00 C ATOM 890 CG ASN A 60 -0.475 1.734 14.803 1.00 0.00 C ATOM 891 OD1 ASN A 60 -0.990 2.613 15.654 1.00 0.00 O flip ATOM 892 ND2 ASN A 60 0.058 0.686 15.171 1.00 0.00 N flip ATOM 0 H ASN A 60 -1.818 4.355 12.399 1.00 0.00 H new ATOM 0 HA ASN A 60 0.736 3.731 13.764 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.614 2.029 13.015 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.025 1.341 12.748 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.441 0.039 14.482 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.117 0.465 16.165 1.00 0.00 H new ATOM 899 N VAL A 61 -0.103 3.963 10.647 1.00 0.00 N ATOM 900 CA VAL A 61 0.405 4.027 9.282 1.00 0.00 C ATOM 901 C VAL A 61 0.221 5.421 8.692 1.00 0.00 C ATOM 902 O VAL A 61 -0.903 5.892 8.523 1.00 0.00 O ATOM 903 CB VAL A 61 -0.298 3.001 8.374 1.00 0.00 C ATOM 904 CG1 VAL A 61 0.163 3.159 6.933 1.00 0.00 C ATOM 905 CG2 VAL A 61 -0.043 1.586 8.872 1.00 0.00 C ATOM 0 H VAL A 61 -1.054 4.314 10.760 1.00 0.00 H new ATOM 0 HA VAL A 61 1.468 3.793 9.328 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.372 3.186 8.409 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.344 2.426 6.306 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.076 4.163 6.583 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.240 3.002 6.876 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.547 0.874 8.219 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.029 1.386 8.868 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.428 1.483 9.887 1.00 0.00 H new ATOM 915 N SER A 62 1.335 6.077 8.381 1.00 0.00 N ATOM 916 CA SER A 62 1.298 7.419 7.812 1.00 0.00 C ATOM 917 C SER A 62 2.017 7.460 6.467 1.00 0.00 C ATOM 918 O SER A 62 2.650 6.486 6.060 1.00 0.00 O ATOM 919 CB SER A 62 1.936 8.422 8.775 1.00 0.00 C ATOM 920 OG SER A 62 3.299 8.112 9.005 1.00 0.00 O ATOM 0 H SER A 62 2.274 5.701 8.514 1.00 0.00 H new ATOM 0 HA SER A 62 0.254 7.691 7.654 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.853 9.428 8.364 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.394 8.418 9.721 1.00 0.00 H new ATOM 0 HG SER A 62 3.684 8.769 9.622 1.00 0.00 H new ATOM 926 N GLY A 63 1.916 8.595 5.783 1.00 0.00 N ATOM 927 CA GLY A 63 2.561 8.743 4.491 1.00 0.00 C ATOM 928 C GLY A 63 2.311 10.103 3.871 1.00 0.00 C ATOM 929 O GLY A 63 1.797 11.007 4.528 1.00 0.00 O ATOM 0 H GLY A 63 1.399 9.415 6.100 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.634 8.591 4.605 1.00 0.00 H new ATOM 0 HA3 GLY A 63 2.199 7.967 3.816 1.00 0.00 H new ATOM 933 N GLU A 64 2.678 10.249 2.601 1.00 0.00 N ATOM 934 CA GLU A 64 2.492 11.510 1.893 1.00 0.00 C ATOM 935 C GLU A 64 2.185 11.266 0.418 1.00 0.00 C ATOM 936 O GLU A 64 2.790 10.404 -0.219 1.00 0.00 O ATOM 937 CB GLU A 64 3.741 12.384 2.028 1.00 0.00 C ATOM 938 CG GLU A 64 4.760 12.165 0.923 1.00 0.00 C ATOM 939 CD GLU A 64 5.994 13.030 1.086 1.00 0.00 C ATOM 940 OE1 GLU A 64 6.188 13.582 2.190 1.00 0.00 O ATOM 941 OE2 GLU A 64 6.765 13.156 0.112 1.00 0.00 O ATOM 0 H GLU A 64 3.105 9.510 2.042 1.00 0.00 H new ATOM 0 HA GLU A 64 1.644 12.028 2.341 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.442 13.432 2.032 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.212 12.183 2.990 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.056 11.116 0.910 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.297 12.378 -0.040 1.00 0.00 H new ATOM 948 N PHE A 65 1.241 12.032 -0.118 1.00 0.00 N ATOM 949 CA PHE A 65 0.851 11.899 -1.517 1.00 0.00 C ATOM 950 C PHE A 65 1.859 12.592 -2.430 1.00 0.00 C ATOM 951 O PHE A 65 2.150 13.777 -2.266 1.00 0.00 O ATOM 952 CB PHE A 65 -0.544 12.487 -1.738 1.00 0.00 C ATOM 953 CG PHE A 65 -1.654 11.587 -1.277 1.00 0.00 C ATOM 954 CD1 PHE A 65 -1.499 10.796 -0.150 1.00 0.00 C ATOM 955 CD2 PHE A 65 -2.852 11.532 -1.970 1.00 0.00 C ATOM 956 CE1 PHE A 65 -2.519 9.966 0.277 1.00 0.00 C ATOM 957 CE2 PHE A 65 -3.876 10.705 -1.548 1.00 0.00 C ATOM 958 CZ PHE A 65 -3.709 9.921 -0.423 1.00 0.00 C ATOM 0 H PHE A 65 0.732 12.752 0.395 1.00 0.00 H new ATOM 0 HA PHE A 65 0.833 10.838 -1.764 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.616 13.438 -1.211 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.676 12.699 -2.799 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.571 10.828 0.401 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.988 12.143 -2.851 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.386 9.354 1.157 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.805 10.672 -2.097 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.508 9.274 -0.091 1.00 0.00 H new ATOM 968 N THR A 66 2.389 11.843 -3.392 1.00 0.00 N ATOM 969 CA THR A 66 3.364 12.383 -4.331 1.00 0.00 C ATOM 970 C THR A 66 2.742 12.602 -5.705 1.00 0.00 C ATOM 971 O THR A 66 3.059 13.573 -6.393 1.00 0.00 O ATOM 972 CB THR A 66 4.582 11.451 -4.473 1.00 0.00 C ATOM 973 OG1 THR A 66 4.147 10.116 -4.753 1.00 0.00 O ATOM 974 CG2 THR A 66 5.422 11.461 -3.205 1.00 0.00 C ATOM 0 H THR A 66 2.159 10.860 -3.541 1.00 0.00 H new ATOM 0 HA THR A 66 3.694 13.341 -3.929 1.00 0.00 H new ATOM 0 HB THR A 66 5.195 11.813 -5.298 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.168 10.091 -4.787 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.276 10.796 -3.329 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.776 12.474 -3.011 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.817 11.121 -2.365 1.00 0.00 H new ATOM 982 N ASP A 67 1.856 11.694 -6.100 1.00 0.00 N ATOM 983 CA ASP A 67 1.188 11.790 -7.392 1.00 0.00 C ATOM 984 C ASP A 67 -0.280 11.393 -7.276 1.00 0.00 C ATOM 985 O ASP A 67 -0.630 10.479 -6.528 1.00 0.00 O ATOM 986 CB ASP A 67 1.890 10.900 -8.420 1.00 0.00 C ATOM 987 CG ASP A 67 1.774 11.442 -9.831 1.00 0.00 C ATOM 988 OD1 ASP A 67 0.769 11.133 -10.504 1.00 0.00 O ATOM 989 OD2 ASP A 67 2.689 12.175 -10.262 1.00 0.00 O ATOM 0 H ASP A 67 1.584 10.883 -5.544 1.00 0.00 H new ATOM 0 HA ASP A 67 1.240 12.827 -7.724 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.943 10.806 -8.156 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.461 9.899 -8.382 1.00 0.00 H new ATOM 994 N LEU A 68 -1.136 12.086 -8.019 1.00 0.00 N ATOM 995 CA LEU A 68 -2.568 11.807 -7.998 1.00 0.00 C ATOM 996 C LEU A 68 -3.178 11.993 -9.383 1.00 0.00 C ATOM 997 O LEU A 68 -3.292 13.114 -9.878 1.00 0.00 O ATOM 998 CB LEU A 68 -3.271 12.720 -6.992 1.00 0.00 C ATOM 999 CG LEU A 68 -2.904 12.509 -5.523 1.00 0.00 C ATOM 1000 CD1 LEU A 68 -3.389 13.676 -4.678 1.00 0.00 C ATOM 1001 CD2 LEU A 68 -3.486 11.199 -5.011 1.00 0.00 C ATOM 0 H LEU A 68 -0.864 12.845 -8.643 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.707 10.769 -7.696 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.051 13.755 -7.256 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.347 12.585 -7.100 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.818 12.457 -5.444 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.119 13.508 -3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.924 14.597 -5.029 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.472 13.761 -4.763 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.215 11.065 -3.964 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.572 11.222 -5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.089 10.371 -5.597 1.00 0.00 H new ATOM 1013 N VAL A 69 -3.572 10.885 -10.004 1.00 0.00 N ATOM 1014 CA VAL A 69 -4.175 10.925 -11.331 1.00 0.00 C ATOM 1015 C VAL A 69 -5.648 10.538 -11.277 1.00 0.00 C ATOM 1016 O VAL A 69 -6.047 9.613 -10.569 1.00 0.00 O ATOM 1017 CB VAL A 69 -3.443 9.986 -12.308 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -3.942 10.201 -13.729 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -1.939 10.198 -12.225 1.00 0.00 C ATOM 0 H VAL A 69 -3.484 9.949 -9.609 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.086 11.951 -11.689 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.658 8.956 -12.024 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.414 9.529 -14.406 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.011 9.995 -13.774 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.759 11.233 -14.027 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.438 9.526 -12.922 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.702 11.230 -12.482 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.598 9.989 -11.211 1.00 0.00 H new ATOM 1029 N PRO A 70 -6.478 11.259 -12.045 1.00 0.00 N ATOM 1030 CA PRO A 70 -7.922 11.008 -12.103 1.00 0.00 C ATOM 1031 C PRO A 70 -8.246 9.532 -12.300 1.00 0.00 C ATOM 1032 O PRO A 70 -7.978 8.964 -13.359 1.00 0.00 O ATOM 1033 CB PRO A 70 -8.374 11.822 -13.318 1.00 0.00 C ATOM 1034 CG PRO A 70 -7.368 12.914 -13.439 1.00 0.00 C ATOM 1035 CD PRO A 70 -6.072 12.376 -12.915 1.00 0.00 C ATOM 0 HA PRO A 70 -8.422 11.287 -11.176 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.401 11.208 -14.218 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -9.378 12.223 -13.175 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -7.263 13.228 -14.477 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -7.680 13.790 -12.871 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -5.424 12.038 -13.723 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -5.520 13.134 -12.360 1.00 0.00 H new ATOM 1043 N GLU A 71 -8.824 8.915 -11.274 1.00 0.00 N ATOM 1044 CA GLU A 71 -9.184 7.503 -11.336 1.00 0.00 C ATOM 1045 C GLU A 71 -8.228 6.738 -12.247 1.00 0.00 C ATOM 1046 O GLU A 71 -8.656 5.984 -13.121 1.00 0.00 O ATOM 1047 CB GLU A 71 -10.621 7.342 -11.835 1.00 0.00 C ATOM 1048 CG GLU A 71 -11.614 8.257 -11.137 1.00 0.00 C ATOM 1049 CD GLU A 71 -12.987 8.225 -11.779 1.00 0.00 C ATOM 1050 OE1 GLU A 71 -13.272 7.265 -12.526 1.00 0.00 O ATOM 1051 OE2 GLU A 71 -13.778 9.160 -11.533 1.00 0.00 O ATOM 0 H GLU A 71 -9.053 9.370 -10.390 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.108 7.090 -10.330 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.649 7.540 -12.907 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -10.932 6.307 -11.694 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -11.699 7.964 -10.091 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.234 9.278 -11.152 1.00 0.00 H new ATOM 1058 N LYS A 72 -6.932 6.938 -12.037 1.00 0.00 N ATOM 1059 CA LYS A 72 -5.914 6.268 -12.837 1.00 0.00 C ATOM 1060 C LYS A 72 -4.907 5.548 -11.945 1.00 0.00 C ATOM 1061 O LYS A 72 -4.723 4.336 -12.052 1.00 0.00 O ATOM 1062 CB LYS A 72 -5.190 7.278 -13.730 1.00 0.00 C ATOM 1063 CG LYS A 72 -5.925 7.583 -15.024 1.00 0.00 C ATOM 1064 CD LYS A 72 -4.960 7.782 -16.180 1.00 0.00 C ATOM 1065 CE LYS A 72 -4.677 6.473 -16.901 1.00 0.00 C ATOM 1066 NZ LYS A 72 -3.935 6.690 -18.174 1.00 0.00 N ATOM 0 H LYS A 72 -6.561 7.560 -11.318 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.411 5.528 -13.465 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.049 8.205 -13.175 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.198 6.895 -13.967 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.609 6.766 -15.256 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.531 8.480 -14.896 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -5.377 8.503 -16.883 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -4.026 8.203 -15.807 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.098 5.818 -16.250 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.617 5.963 -17.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -3.762 5.774 -18.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -4.498 7.294 -18.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -3.026 7.153 -17.971 1.00 0.00 H new ATOM 1080 N HIS A 73 -4.258 6.304 -11.065 1.00 0.00 N ATOM 1081 CA HIS A 73 -3.271 5.737 -10.152 1.00 0.00 C ATOM 1082 C HIS A 73 -2.962 6.707 -9.016 1.00 0.00 C ATOM 1083 O HIS A 73 -3.261 7.898 -9.105 1.00 0.00 O ATOM 1084 CB HIS A 73 -1.987 5.392 -10.907 1.00 0.00 C ATOM 1085 CG HIS A 73 -0.919 6.436 -10.781 1.00 0.00 C ATOM 1086 ND1 HIS A 73 -1.004 7.784 -10.708 1.00 0.00 N flip ATOM 1087 CD2 HIS A 73 0.425 6.134 -10.719 1.00 0.00 C flip ATOM 1088 CE1 HIS A 73 0.277 8.268 -10.603 1.00 0.00 C flip ATOM 1089 NE2 HIS A 73 1.120 7.252 -10.611 1.00 0.00 N flip ATOM 0 H HIS A 73 -4.397 7.309 -10.965 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.689 4.825 -9.724 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -1.601 4.443 -10.536 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -2.222 5.250 -11.962 1.00 0.00 H new ATOM 0 HD2 HIS A 73 0.844 5.139 -10.753 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.550 9.310 -10.526 1.00 0.00 H new ATOM 0 HE2 HIS A 73 2.136 7.319 -10.545 1.00 0.00 H new ATOM 1098 N ILE A 74 -2.363 6.189 -7.949 1.00 0.00 N ATOM 1099 CA ILE A 74 -2.014 7.009 -6.796 1.00 0.00 C ATOM 1100 C ILE A 74 -0.641 6.634 -6.250 1.00 0.00 C ATOM 1101 O ILE A 74 -0.386 5.475 -5.921 1.00 0.00 O ATOM 1102 CB ILE A 74 -3.057 6.871 -5.670 1.00 0.00 C ATOM 1103 CG1 ILE A 74 -4.447 7.251 -6.184 1.00 0.00 C ATOM 1104 CG2 ILE A 74 -2.670 7.737 -4.481 1.00 0.00 C ATOM 1105 CD1 ILE A 74 -5.563 6.900 -5.225 1.00 0.00 C ATOM 0 H ILE A 74 -2.109 5.205 -7.859 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.996 8.044 -7.139 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.083 5.831 -5.344 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.472 8.323 -6.381 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.624 6.748 -7.135 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.416 7.629 -3.694 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.697 7.423 -4.104 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.619 8.780 -4.792 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.519 7.198 -5.655 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.565 5.825 -5.047 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.410 7.424 -4.282 1.00 0.00 H new ATOM 1117 N VAL A 75 0.242 7.623 -6.154 1.00 0.00 N ATOM 1118 CA VAL A 75 1.590 7.398 -5.644 1.00 0.00 C ATOM 1119 C VAL A 75 1.813 8.144 -4.333 1.00 0.00 C ATOM 1120 O VAL A 75 1.706 9.368 -4.278 1.00 0.00 O ATOM 1121 CB VAL A 75 2.656 7.843 -6.663 1.00 0.00 C ATOM 1122 CG1 VAL A 75 4.023 7.301 -6.276 1.00 0.00 C ATOM 1123 CG2 VAL A 75 2.273 7.394 -8.065 1.00 0.00 C ATOM 0 H VAL A 75 0.048 8.588 -6.423 1.00 0.00 H new ATOM 0 HA VAL A 75 1.689 6.326 -5.470 1.00 0.00 H new ATOM 0 HB VAL A 75 2.708 8.932 -6.656 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.763 7.625 -7.007 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.298 7.677 -5.290 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.989 6.212 -6.253 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.037 7.717 -8.772 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.192 6.307 -8.090 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.315 7.836 -8.339 1.00 0.00 H new ATOM 1133 N MET A 76 2.124 7.396 -3.279 1.00 0.00 N ATOM 1134 CA MET A 76 2.364 7.986 -1.968 1.00 0.00 C ATOM 1135 C MET A 76 3.337 7.134 -1.158 1.00 0.00 C ATOM 1136 O MET A 76 3.673 6.016 -1.549 1.00 0.00 O ATOM 1137 CB MET A 76 1.047 8.141 -1.205 1.00 0.00 C ATOM 1138 CG MET A 76 0.542 6.844 -0.595 1.00 0.00 C ATOM 1139 SD MET A 76 -1.230 6.877 -0.262 1.00 0.00 S ATOM 1140 CE MET A 76 -1.688 5.201 -0.698 1.00 0.00 C ATOM 0 H MET A 76 2.216 6.381 -3.308 1.00 0.00 H new ATOM 0 HA MET A 76 2.807 8.971 -2.117 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.180 8.878 -0.413 1.00 0.00 H new ATOM 0 HB3 MET A 76 0.288 8.534 -1.882 1.00 0.00 H new ATOM 0 HG2 MET A 76 0.766 6.018 -1.270 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.079 6.651 0.334 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.759 5.065 -0.545 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.445 5.018 -1.745 1.00 0.00 H new ATOM 0 HE3 MET A 76 -1.140 4.499 -0.070 1.00 0.00 H new ATOM 1150 N LYS A 77 3.786 7.670 -0.028 1.00 0.00 N ATOM 1151 CA LYS A 77 4.719 6.959 0.838 1.00 0.00 C ATOM 1152 C LYS A 77 3.973 6.150 1.894 1.00 0.00 C ATOM 1153 O LYS A 77 2.883 6.528 2.323 1.00 0.00 O ATOM 1154 CB LYS A 77 5.672 7.947 1.515 1.00 0.00 C ATOM 1155 CG LYS A 77 6.802 8.417 0.616 1.00 0.00 C ATOM 1156 CD LYS A 77 7.875 9.148 1.404 1.00 0.00 C ATOM 1157 CE LYS A 77 7.510 10.609 1.619 1.00 0.00 C ATOM 1158 NZ LYS A 77 8.571 11.342 2.364 1.00 0.00 N ATOM 0 H LYS A 77 3.519 8.595 0.309 1.00 0.00 H new ATOM 0 HA LYS A 77 5.297 6.271 0.221 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.103 8.814 1.853 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.097 7.479 2.403 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.243 7.560 0.107 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.404 9.076 -0.156 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.015 8.661 2.369 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.825 9.083 0.874 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.347 11.088 0.654 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.571 10.672 2.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 8.285 12.334 2.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.709 10.900 3.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.461 11.304 1.827 1.00 0.00 H new ATOM 1172 N TRP A 78 4.568 5.038 2.310 1.00 0.00 N ATOM 1173 CA TRP A 78 3.960 4.177 3.318 1.00 0.00 C ATOM 1174 C TRP A 78 4.987 3.748 4.359 1.00 0.00 C ATOM 1175 O TRP A 78 6.148 3.502 4.034 1.00 0.00 O ATOM 1176 CB TRP A 78 3.339 2.945 2.658 1.00 0.00 C ATOM 1177 CG TRP A 78 2.264 2.306 3.484 1.00 0.00 C ATOM 1178 CD1 TRP A 78 0.915 2.443 3.322 1.00 0.00 C ATOM 1179 CD2 TRP A 78 2.449 1.432 4.603 1.00 0.00 C ATOM 1180 NE1 TRP A 78 0.250 1.707 4.273 1.00 0.00 N ATOM 1181 CE2 TRP A 78 1.168 1.077 5.070 1.00 0.00 C ATOM 1182 CE3 TRP A 78 3.571 0.913 5.255 1.00 0.00 C ATOM 1183 CZ2 TRP A 78 0.982 0.228 6.158 1.00 0.00 C ATOM 1184 CZ3 TRP A 78 3.384 0.072 6.335 1.00 0.00 C ATOM 1185 CH2 TRP A 78 2.098 -0.265 6.777 1.00 0.00 C ATOM 0 H TRP A 78 5.471 4.711 1.965 1.00 0.00 H new ATOM 0 HA TRP A 78 3.177 4.745 3.821 1.00 0.00 H new ATOM 0 HB2 TRP A 78 2.923 3.230 1.692 1.00 0.00 H new ATOM 0 HB3 TRP A 78 4.122 2.212 2.464 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.441 3.042 2.559 1.00 0.00 H new ATOM 0 HE1 TRP A 78 -0.763 1.641 4.370 1.00 0.00 H new ATOM 0 HE3 TRP A 78 4.567 1.165 4.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 -0.008 -0.032 6.501 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.244 -0.333 6.847 1.00 0.00 H new ATOM 0 HH2 TRP A 78 1.985 -0.927 7.623 1.00 0.00 H new ATOM 1196 N ARG A 79 4.552 3.661 5.612 1.00 0.00 N ATOM 1197 CA ARG A 79 5.436 3.262 6.701 1.00 0.00 C ATOM 1198 C ARG A 79 4.646 3.043 7.989 1.00 0.00 C ATOM 1199 O ARG A 79 3.530 3.540 8.137 1.00 0.00 O ATOM 1200 CB ARG A 79 6.514 4.324 6.927 1.00 0.00 C ATOM 1201 CG ARG A 79 5.977 5.625 7.502 1.00 0.00 C ATOM 1202 CD ARG A 79 7.007 6.310 8.386 1.00 0.00 C ATOM 1203 NE ARG A 79 7.172 5.625 9.665 1.00 0.00 N ATOM 1204 CZ ARG A 79 7.648 6.213 10.757 1.00 0.00 C ATOM 1205 NH1 ARG A 79 8.003 7.490 10.726 1.00 0.00 N ATOM 1206 NH2 ARG A 79 7.768 5.523 11.885 1.00 0.00 N ATOM 0 H ARG A 79 3.594 3.861 5.898 1.00 0.00 H new ATOM 0 HA ARG A 79 5.914 2.323 6.422 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.271 3.924 7.602 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.010 4.533 5.979 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.692 6.293 6.689 1.00 0.00 H new ATOM 0 HG3 ARG A 79 5.075 5.424 8.081 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.965 6.344 7.867 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.704 7.342 8.564 1.00 0.00 H new ATOM 0 HE ARG A 79 6.907 4.642 9.723 1.00 0.00 H new ATOM 0 HH11 ARG A 79 7.911 8.024 9.862 1.00 0.00 H new ATOM 0 HH12 ARG A 79 8.368 7.938 11.566 1.00 0.00 H new ATOM 0 HH21 ARG A 79 7.495 4.541 11.914 1.00 0.00 H new ATOM 0 HH22 ARG A 79 8.134 5.975 12.723 1.00 0.00 H new ATOM 1220 N PHE A 80 5.234 2.294 8.917 1.00 0.00 N ATOM 1221 CA PHE A 80 4.585 2.007 10.191 1.00 0.00 C ATOM 1222 C PHE A 80 4.988 3.031 11.249 1.00 0.00 C ATOM 1223 O PHE A 80 6.010 3.705 11.120 1.00 0.00 O ATOM 1224 CB PHE A 80 4.946 0.598 10.665 1.00 0.00 C ATOM 1225 CG PHE A 80 3.957 -0.449 10.240 1.00 0.00 C ATOM 1226 CD1 PHE A 80 2.596 -0.240 10.398 1.00 0.00 C ATOM 1227 CD2 PHE A 80 4.387 -1.642 9.683 1.00 0.00 C ATOM 1228 CE1 PHE A 80 1.683 -1.202 10.008 1.00 0.00 C ATOM 1229 CE2 PHE A 80 3.479 -2.607 9.290 1.00 0.00 C ATOM 1230 CZ PHE A 80 2.125 -2.387 9.454 1.00 0.00 C ATOM 0 H PHE A 80 6.158 1.875 8.810 1.00 0.00 H new ATOM 0 HA PHE A 80 3.507 2.068 10.043 1.00 0.00 H new ATOM 0 HB2 PHE A 80 5.931 0.334 10.279 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.020 0.597 11.753 1.00 0.00 H new ATOM 0 HD1 PHE A 80 2.245 0.685 10.831 1.00 0.00 H new ATOM 0 HD2 PHE A 80 5.444 -1.820 9.554 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.625 -1.027 10.137 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.828 -3.532 8.855 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.414 -3.140 9.149 1.00 0.00 H new ATOM 1240 N LYS A 81 4.176 3.142 12.295 1.00 0.00 N ATOM 1241 CA LYS A 81 4.446 4.081 13.377 1.00 0.00 C ATOM 1242 C LYS A 81 5.652 3.635 14.197 1.00 0.00 C ATOM 1243 O LYS A 81 6.101 4.347 15.095 1.00 0.00 O ATOM 1244 CB LYS A 81 3.220 4.213 14.283 1.00 0.00 C ATOM 1245 CG LYS A 81 3.500 4.949 15.582 1.00 0.00 C ATOM 1246 CD LYS A 81 3.913 3.992 16.687 1.00 0.00 C ATOM 1247 CE LYS A 81 2.707 3.314 17.317 1.00 0.00 C ATOM 1248 NZ LYS A 81 3.086 2.501 18.506 1.00 0.00 N ATOM 0 H LYS A 81 3.325 2.593 12.416 1.00 0.00 H new ATOM 0 HA LYS A 81 4.669 5.052 12.934 1.00 0.00 H new ATOM 0 HB2 LYS A 81 2.433 4.737 13.741 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.840 3.218 14.514 1.00 0.00 H new ATOM 0 HG2 LYS A 81 4.289 5.684 15.422 1.00 0.00 H new ATOM 0 HG3 LYS A 81 2.610 5.498 15.889 1.00 0.00 H new ATOM 0 HD2 LYS A 81 4.586 3.236 16.282 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.467 4.536 17.452 1.00 0.00 H new ATOM 0 HE2 LYS A 81 1.978 4.069 17.611 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.223 2.674 16.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 2.236 2.055 18.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.762 1.764 18.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 3.525 3.116 19.221 1.00 0.00 H new ATOM 1262 N SER A 82 6.172 2.453 13.882 1.00 0.00 N ATOM 1263 CA SER A 82 7.325 1.911 14.591 1.00 0.00 C ATOM 1264 C SER A 82 8.544 1.846 13.677 1.00 0.00 C ATOM 1265 O SER A 82 9.672 1.671 14.140 1.00 0.00 O ATOM 1266 CB SER A 82 7.006 0.517 15.136 1.00 0.00 C ATOM 1267 OG SER A 82 7.898 0.160 16.177 1.00 0.00 O ATOM 0 H SER A 82 5.813 1.852 13.140 1.00 0.00 H new ATOM 0 HA SER A 82 7.553 2.576 15.424 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.981 0.494 15.507 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.070 -0.215 14.331 1.00 0.00 H new ATOM 0 HG SER A 82 8.815 0.382 15.913 1.00 0.00 H new ATOM 1273 N TRP A 83 8.310 1.988 12.378 1.00 0.00 N ATOM 1274 CA TRP A 83 9.388 1.945 11.397 1.00 0.00 C ATOM 1275 C TRP A 83 10.454 2.989 11.714 1.00 0.00 C ATOM 1276 O TRP A 83 10.189 4.004 12.358 1.00 0.00 O ATOM 1277 CB TRP A 83 8.835 2.173 9.990 1.00 0.00 C ATOM 1278 CG TRP A 83 8.400 0.910 9.310 1.00 0.00 C ATOM 1279 CD1 TRP A 83 8.149 -0.294 9.903 1.00 0.00 C ATOM 1280 CD2 TRP A 83 8.166 0.727 7.910 1.00 0.00 C ATOM 1281 NE1 TRP A 83 7.773 -1.215 8.955 1.00 0.00 N ATOM 1282 CE2 TRP A 83 7.775 -0.613 7.724 1.00 0.00 C ATOM 1283 CE3 TRP A 83 8.247 1.565 6.795 1.00 0.00 C ATOM 1284 CZ2 TRP A 83 7.468 -1.132 6.469 1.00 0.00 C ATOM 1285 CZ3 TRP A 83 7.942 1.049 5.550 1.00 0.00 C ATOM 1286 CH2 TRP A 83 7.555 -0.289 5.395 1.00 0.00 C ATOM 0 H TRP A 83 7.383 2.134 11.979 1.00 0.00 H new ATOM 0 HA TRP A 83 9.848 0.958 11.442 1.00 0.00 H new ATOM 0 HB2 TRP A 83 7.988 2.857 10.047 1.00 0.00 H new ATOM 0 HB3 TRP A 83 9.598 2.660 9.382 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.234 -0.493 10.961 1.00 0.00 H new ATOM 0 HE1 TRP A 83 7.532 -2.189 9.138 1.00 0.00 H new ATOM 0 HE3 TRP A 83 8.543 2.598 6.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 7.172 -2.163 6.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 8.003 1.688 4.681 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.321 -0.662 4.409 1.00 0.00 H new ATOM 1333 N HIS A 87 12.146 6.741 7.177 1.00 0.00 N ATOM 1334 CA HIS A 87 12.132 5.519 6.381 1.00 0.00 C ATOM 1335 C HIS A 87 10.725 5.218 5.873 1.00 0.00 C ATOM 1336 O HIS A 87 9.880 4.717 6.615 1.00 0.00 O ATOM 1337 CB HIS A 87 12.652 4.341 7.206 1.00 0.00 C ATOM 1338 CG HIS A 87 13.111 3.183 6.375 1.00 0.00 C ATOM 1339 ND1 HIS A 87 14.441 2.909 6.136 1.00 0.00 N ATOM 1340 CD2 HIS A 87 12.408 2.225 5.727 1.00 0.00 C ATOM 1341 CE1 HIS A 87 14.536 1.833 5.375 1.00 0.00 C ATOM 1342 NE2 HIS A 87 13.317 1.399 5.113 1.00 0.00 N ATOM 0 HA HIS A 87 12.786 5.667 5.522 1.00 0.00 H new ATOM 0 HB2 HIS A 87 13.480 4.681 7.828 1.00 0.00 H new ATOM 0 HB3 HIS A 87 11.864 4.004 7.880 1.00 0.00 H new ATOM 0 HD1 HIS A 87 15.228 3.452 6.491 1.00 0.00 H new ATOM 0 HD2 HIS A 87 11.333 2.128 5.698 1.00 0.00 H new ATOM 0 HE1 HIS A 87 15.455 1.385 5.027 1.00 0.00 H new ATOM 1351 N PHE A 88 10.481 5.527 4.604 1.00 0.00 N ATOM 1352 CA PHE A 88 9.176 5.291 3.997 1.00 0.00 C ATOM 1353 C PHE A 88 9.308 4.437 2.739 1.00 0.00 C ATOM 1354 O PHE A 88 10.409 4.220 2.236 1.00 0.00 O ATOM 1355 CB PHE A 88 8.502 6.621 3.655 1.00 0.00 C ATOM 1356 CG PHE A 88 8.149 7.442 4.862 1.00 0.00 C ATOM 1357 CD1 PHE A 88 9.141 7.947 5.687 1.00 0.00 C ATOM 1358 CD2 PHE A 88 6.825 7.708 5.172 1.00 0.00 C ATOM 1359 CE1 PHE A 88 8.819 8.704 6.798 1.00 0.00 C ATOM 1360 CE2 PHE A 88 6.497 8.464 6.282 1.00 0.00 C ATOM 1361 CZ PHE A 88 7.496 8.961 7.097 1.00 0.00 C ATOM 0 H PHE A 88 11.170 5.941 3.976 1.00 0.00 H new ATOM 0 HA PHE A 88 8.560 4.753 4.717 1.00 0.00 H new ATOM 0 HB2 PHE A 88 9.165 7.201 3.013 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.596 6.423 3.082 1.00 0.00 H new ATOM 0 HD1 PHE A 88 10.178 7.747 5.460 1.00 0.00 H new ATOM 0 HD2 PHE A 88 6.040 7.320 4.539 1.00 0.00 H new ATOM 0 HE1 PHE A 88 9.602 9.094 7.432 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.461 8.666 6.512 1.00 0.00 H new ATOM 0 HZ PHE A 88 7.242 9.549 7.966 1.00 0.00 H new ATOM 1371 N ALA A 89 8.175 3.953 2.239 1.00 0.00 N ATOM 1372 CA ALA A 89 8.163 3.124 1.040 1.00 0.00 C ATOM 1373 C ALA A 89 7.299 3.748 -0.050 1.00 0.00 C ATOM 1374 O ALA A 89 6.175 4.182 0.205 1.00 0.00 O ATOM 1375 CB ALA A 89 7.667 1.724 1.372 1.00 0.00 C ATOM 0 H ALA A 89 7.255 4.121 2.646 1.00 0.00 H new ATOM 0 HA ALA A 89 9.184 3.057 0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.663 1.115 0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.326 1.270 2.112 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.656 1.782 1.775 1.00 0.00 H new ATOM 1381 N THR A 90 7.831 3.792 -1.268 1.00 0.00 N ATOM 1382 CA THR A 90 7.109 4.365 -2.397 1.00 0.00 C ATOM 1383 C THR A 90 6.037 3.409 -2.907 1.00 0.00 C ATOM 1384 O THR A 90 6.345 2.383 -3.514 1.00 0.00 O ATOM 1385 CB THR A 90 8.063 4.713 -3.555 1.00 0.00 C ATOM 1386 OG1 THR A 90 9.171 5.476 -3.065 1.00 0.00 O ATOM 1387 CG2 THR A 90 7.338 5.500 -4.636 1.00 0.00 C ATOM 0 H THR A 90 8.760 3.437 -1.497 1.00 0.00 H new ATOM 0 HA THR A 90 6.636 5.279 -2.038 1.00 0.00 H new ATOM 0 HB THR A 90 8.427 3.781 -3.988 1.00 0.00 H new ATOM 0 HG1 THR A 90 9.774 5.692 -3.807 1.00 0.00 H new ATOM 0 HG21 THR A 90 8.032 5.734 -5.443 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.513 4.905 -5.028 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.948 6.426 -4.213 1.00 0.00 H new ATOM 1395 N ILE A 91 4.778 3.751 -2.656 1.00 0.00 N ATOM 1396 CA ILE A 91 3.660 2.924 -3.092 1.00 0.00 C ATOM 1397 C ILE A 91 2.881 3.599 -4.215 1.00 0.00 C ATOM 1398 O ILE A 91 2.510 4.769 -4.114 1.00 0.00 O ATOM 1399 CB ILE A 91 2.699 2.617 -1.928 1.00 0.00 C ATOM 1400 CG1 ILE A 91 3.242 1.466 -1.079 1.00 0.00 C ATOM 1401 CG2 ILE A 91 1.313 2.283 -2.459 1.00 0.00 C ATOM 1402 CD1 ILE A 91 4.515 1.811 -0.337 1.00 0.00 C ATOM 0 H ILE A 91 4.507 4.596 -2.153 1.00 0.00 H new ATOM 0 HA ILE A 91 4.084 1.989 -3.459 1.00 0.00 H new ATOM 0 HB ILE A 91 2.621 3.503 -1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.481 1.166 -0.359 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.428 0.606 -1.723 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.646 2.068 -1.624 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.926 3.131 -3.024 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.373 1.410 -3.109 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.843 0.949 0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 91 5.291 2.082 -1.053 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.330 2.651 0.333 1.00 0.00 H new ATOM 1414 N THR A 92 2.633 2.853 -5.288 1.00 0.00 N ATOM 1415 CA THR A 92 1.898 3.378 -6.431 1.00 0.00 C ATOM 1416 C THR A 92 0.732 2.468 -6.800 1.00 0.00 C ATOM 1417 O THR A 92 0.918 1.434 -7.444 1.00 0.00 O ATOM 1418 CB THR A 92 2.812 3.546 -7.659 1.00 0.00 C ATOM 1419 OG1 THR A 92 3.875 4.458 -7.358 1.00 0.00 O ATOM 1420 CG2 THR A 92 2.024 4.056 -8.855 1.00 0.00 C ATOM 0 H THR A 92 2.931 1.883 -5.388 1.00 0.00 H new ATOM 0 HA THR A 92 1.514 4.355 -6.137 1.00 0.00 H new ATOM 0 HB THR A 92 3.230 2.571 -7.909 1.00 0.00 H new ATOM 0 HG1 THR A 92 4.453 4.558 -8.143 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.691 4.167 -9.710 1.00 0.00 H new ATOM 0 HG22 THR A 92 1.235 3.346 -9.100 1.00 0.00 H new ATOM 0 HG23 THR A 92 1.581 5.022 -8.613 1.00 0.00 H new ATOM 1428 N LEU A 93 -0.470 2.857 -6.390 1.00 0.00 N ATOM 1429 CA LEU A 93 -1.667 2.076 -6.679 1.00 0.00 C ATOM 1430 C LEU A 93 -2.220 2.416 -8.059 1.00 0.00 C ATOM 1431 O LEU A 93 -1.972 3.499 -8.590 1.00 0.00 O ATOM 1432 CB LEU A 93 -2.735 2.330 -5.613 1.00 0.00 C ATOM 1433 CG LEU A 93 -2.569 1.563 -4.301 1.00 0.00 C ATOM 1434 CD1 LEU A 93 -3.516 2.105 -3.242 1.00 0.00 C ATOM 1435 CD2 LEU A 93 -2.804 0.075 -4.518 1.00 0.00 C ATOM 0 H LEU A 93 -0.641 3.709 -5.856 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.393 1.021 -6.668 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.749 3.396 -5.388 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.708 2.081 -6.036 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.546 1.701 -3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -3.383 1.547 -2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.299 3.159 -3.065 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.545 1.999 -3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.681 -0.454 -3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.815 -0.083 -4.894 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.084 -0.305 -5.243 1.00 0.00 H new ATOM 1447 N THR A 94 -2.971 1.484 -8.636 1.00 0.00 N ATOM 1448 CA THR A 94 -3.560 1.684 -9.954 1.00 0.00 C ATOM 1449 C THR A 94 -4.943 1.049 -10.041 1.00 0.00 C ATOM 1450 O THR A 94 -5.138 -0.097 -9.636 1.00 0.00 O ATOM 1451 CB THR A 94 -2.667 1.097 -11.064 1.00 0.00 C ATOM 1452 OG1 THR A 94 -1.287 1.269 -10.724 1.00 0.00 O ATOM 1453 CG2 THR A 94 -2.953 1.766 -12.400 1.00 0.00 C ATOM 0 H THR A 94 -3.186 0.582 -8.211 1.00 0.00 H new ATOM 0 HA THR A 94 -3.648 2.761 -10.100 1.00 0.00 H new ATOM 0 HB THR A 94 -2.889 0.034 -11.154 1.00 0.00 H new ATOM 0 HG1 THR A 94 -0.726 0.892 -11.434 1.00 0.00 H new ATOM 0 HG21 THR A 94 -2.310 1.335 -13.168 1.00 0.00 H new ATOM 0 HG22 THR A 94 -3.997 1.608 -12.670 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.757 2.835 -12.321 1.00 0.00 H new ATOM 1461 N PHE A 95 -5.902 1.801 -10.573 1.00 0.00 N ATOM 1462 CA PHE A 95 -7.268 1.311 -10.713 1.00 0.00 C ATOM 1463 C PHE A 95 -7.577 0.969 -12.167 1.00 0.00 C ATOM 1464 O PHE A 95 -7.414 1.802 -13.059 1.00 0.00 O ATOM 1465 CB PHE A 95 -8.262 2.355 -10.200 1.00 0.00 C ATOM 1466 CG PHE A 95 -7.987 2.804 -8.793 1.00 0.00 C ATOM 1467 CD1 PHE A 95 -6.883 3.591 -8.507 1.00 0.00 C ATOM 1468 CD2 PHE A 95 -8.833 2.441 -7.758 1.00 0.00 C ATOM 1469 CE1 PHE A 95 -6.627 4.005 -7.213 1.00 0.00 C ATOM 1470 CE2 PHE A 95 -8.583 2.853 -6.462 1.00 0.00 C ATOM 1471 CZ PHE A 95 -7.479 3.636 -6.190 1.00 0.00 C ATOM 0 H PHE A 95 -5.758 2.751 -10.914 1.00 0.00 H new ATOM 0 HA PHE A 95 -7.365 0.404 -10.117 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.239 3.222 -10.860 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -9.269 1.942 -10.251 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.215 3.884 -9.304 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.698 1.829 -7.966 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.762 4.616 -7.002 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -9.250 2.563 -5.664 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.282 3.960 -5.179 1.00 0.00 H new ATOM 1481 N ILE A 96 -8.023 -0.261 -12.398 1.00 0.00 N ATOM 1482 CA ILE A 96 -8.356 -0.713 -13.743 1.00 0.00 C ATOM 1483 C ILE A 96 -9.842 -1.029 -13.866 1.00 0.00 C ATOM 1484 O ILE A 96 -10.487 -1.417 -12.891 1.00 0.00 O ATOM 1485 CB ILE A 96 -7.543 -1.961 -14.135 1.00 0.00 C ATOM 1486 CG1 ILE A 96 -6.048 -1.708 -13.931 1.00 0.00 C ATOM 1487 CG2 ILE A 96 -7.828 -2.347 -15.579 1.00 0.00 C ATOM 1488 CD1 ILE A 96 -5.212 -2.968 -13.958 1.00 0.00 C ATOM 0 H ILE A 96 -8.162 -0.963 -11.671 1.00 0.00 H new ATOM 0 HA ILE A 96 -8.104 0.103 -14.421 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.843 -2.788 -13.492 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.693 -1.030 -14.707 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -5.900 -1.204 -12.976 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -7.246 -3.231 -15.841 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -8.890 -2.564 -15.695 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.553 -1.523 -16.237 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -4.163 -2.712 -13.807 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -5.540 -3.639 -13.164 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -5.330 -3.462 -14.922 1.00 0.00 H new ATOM 1500 N ASP A 97 -10.380 -0.862 -15.069 1.00 0.00 N ATOM 1501 CA ASP A 97 -11.791 -1.133 -15.320 1.00 0.00 C ATOM 1502 C ASP A 97 -11.975 -2.503 -15.966 1.00 0.00 C ATOM 1503 O ASP A 97 -11.299 -2.838 -16.939 1.00 0.00 O ATOM 1504 CB ASP A 97 -12.388 -0.048 -16.217 1.00 0.00 C ATOM 1505 CG ASP A 97 -13.647 -0.510 -16.924 1.00 0.00 C ATOM 1506 OD1 ASP A 97 -14.575 -0.981 -16.235 1.00 0.00 O ATOM 1507 OD2 ASP A 97 -13.704 -0.401 -18.167 1.00 0.00 O ATOM 0 H ASP A 97 -9.861 -0.540 -15.886 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.312 -1.130 -14.363 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -12.615 0.832 -15.616 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -11.648 0.254 -16.958 1.00 0.00 H new ATOM 1512 N LYS A 98 -12.893 -3.291 -15.417 1.00 0.00 N ATOM 1513 CA LYS A 98 -13.167 -4.625 -15.939 1.00 0.00 C ATOM 1514 C LYS A 98 -14.649 -4.788 -16.263 1.00 0.00 C ATOM 1515 O LYS A 98 -15.126 -5.900 -16.485 1.00 0.00 O ATOM 1516 CB LYS A 98 -12.735 -5.689 -14.927 1.00 0.00 C ATOM 1517 CG LYS A 98 -11.309 -5.516 -14.434 1.00 0.00 C ATOM 1518 CD LYS A 98 -10.316 -6.225 -15.339 1.00 0.00 C ATOM 1519 CE LYS A 98 -9.070 -6.649 -14.576 1.00 0.00 C ATOM 1520 NZ LYS A 98 -9.301 -7.886 -13.780 1.00 0.00 N ATOM 0 H LYS A 98 -13.460 -3.029 -14.611 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.596 -4.753 -16.858 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -13.412 -5.662 -14.073 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -12.836 -6.674 -15.383 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -11.066 -4.455 -14.387 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -11.223 -5.908 -13.421 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.788 -7.102 -15.783 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.034 -5.565 -16.160 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.253 -6.816 -15.278 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -8.759 -5.843 -13.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.571 -7.966 -13.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.240 -7.842 -13.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -9.254 -8.715 -14.406 1.00 0.00 H new ATOM 1534 N ASN A 99 -15.370 -3.672 -16.291 1.00 0.00 N ATOM 1535 CA ASN A 99 -16.798 -3.693 -16.590 1.00 0.00 C ATOM 1536 C ASN A 99 -17.592 -4.245 -15.410 1.00 0.00 C ATOM 1537 O ASN A 99 -18.419 -5.142 -15.570 1.00 0.00 O ATOM 1538 CB ASN A 99 -17.067 -4.534 -17.839 1.00 0.00 C ATOM 1539 CG ASN A 99 -18.265 -4.036 -18.624 1.00 0.00 C ATOM 1540 OD1 ASN A 99 -18.118 -3.309 -19.606 1.00 0.00 O ATOM 1541 ND2 ASN A 99 -19.458 -4.428 -18.194 1.00 0.00 N ATOM 0 H ASN A 99 -14.990 -2.743 -16.111 1.00 0.00 H new ATOM 0 HA ASN A 99 -17.120 -2.668 -16.775 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -16.185 -4.521 -18.480 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -17.233 -5.571 -17.547 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -20.301 -4.126 -18.683 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -19.532 -5.031 -17.375 1.00 0.00 H new ATOM 1548 N GLY A 100 -17.336 -3.701 -14.224 1.00 0.00 N ATOM 1549 CA GLY A 100 -18.036 -4.151 -13.035 1.00 0.00 C ATOM 1550 C GLY A 100 -17.121 -4.259 -11.830 1.00 0.00 C ATOM 1551 O GLY A 100 -17.547 -4.031 -10.699 1.00 0.00 O ATOM 0 H GLY A 100 -16.657 -2.957 -14.066 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -18.847 -3.458 -12.811 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -18.491 -5.122 -13.230 1.00 0.00 H new ATOM 1555 N GLU A 101 -15.862 -4.609 -12.074 1.00 0.00 N ATOM 1556 CA GLU A 101 -14.887 -4.749 -11.000 1.00 0.00 C ATOM 1557 C GLU A 101 -13.671 -3.861 -11.249 1.00 0.00 C ATOM 1558 O GLU A 101 -13.497 -3.318 -12.340 1.00 0.00 O ATOM 1559 CB GLU A 101 -14.448 -6.208 -10.867 1.00 0.00 C ATOM 1560 CG GLU A 101 -15.600 -7.198 -10.916 1.00 0.00 C ATOM 1561 CD GLU A 101 -15.169 -8.613 -10.582 1.00 0.00 C ATOM 1562 OE1 GLU A 101 -14.658 -8.828 -9.463 1.00 0.00 O ATOM 1563 OE2 GLU A 101 -15.342 -9.504 -11.439 1.00 0.00 O ATOM 0 H GLU A 101 -15.494 -4.801 -13.006 1.00 0.00 H new ATOM 0 HA GLU A 101 -15.361 -4.433 -10.071 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -13.745 -6.441 -11.667 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.913 -6.333 -9.926 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -16.374 -6.883 -10.216 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -16.045 -7.183 -11.911 1.00 0.00 H new ATOM 1570 N THR A 102 -12.831 -3.718 -10.228 1.00 0.00 N ATOM 1571 CA THR A 102 -11.633 -2.895 -10.335 1.00 0.00 C ATOM 1572 C THR A 102 -10.408 -3.639 -9.814 1.00 0.00 C ATOM 1573 O THR A 102 -10.379 -4.076 -8.664 1.00 0.00 O ATOM 1574 CB THR A 102 -11.787 -1.575 -9.557 1.00 0.00 C ATOM 1575 OG1 THR A 102 -12.871 -0.811 -10.098 1.00 0.00 O ATOM 1576 CG2 THR A 102 -10.505 -0.758 -9.618 1.00 0.00 C ATOM 0 H THR A 102 -12.959 -4.161 -9.318 1.00 0.00 H new ATOM 0 HA THR A 102 -11.497 -2.670 -11.393 1.00 0.00 H new ATOM 0 HB THR A 102 -11.997 -1.816 -8.515 1.00 0.00 H new ATOM 0 HG1 THR A 102 -13.704 -1.320 -10.014 1.00 0.00 H new ATOM 0 HG21 THR A 102 -10.638 0.170 -9.061 1.00 0.00 H new ATOM 0 HG22 THR A 102 -9.688 -1.330 -9.179 1.00 0.00 H new ATOM 0 HG23 THR A 102 -10.270 -0.527 -10.657 1.00 0.00 H new ATOM 1584 N GLU A 103 -9.398 -3.777 -10.668 1.00 0.00 N ATOM 1585 CA GLU A 103 -8.170 -4.468 -10.292 1.00 0.00 C ATOM 1586 C GLU A 103 -7.145 -3.489 -9.729 1.00 0.00 C ATOM 1587 O GLU A 103 -6.522 -2.729 -10.473 1.00 0.00 O ATOM 1588 CB GLU A 103 -7.582 -5.202 -11.499 1.00 0.00 C ATOM 1589 CG GLU A 103 -6.422 -6.119 -11.148 1.00 0.00 C ATOM 1590 CD GLU A 103 -6.881 -7.466 -10.625 1.00 0.00 C ATOM 1591 OE1 GLU A 103 -7.237 -8.333 -11.451 1.00 0.00 O ATOM 1592 OE2 GLU A 103 -6.884 -7.655 -9.391 1.00 0.00 O ATOM 0 H GLU A 103 -9.406 -3.420 -11.623 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.415 -5.195 -9.518 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.368 -5.789 -11.974 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.245 -4.468 -12.231 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.802 -6.269 -12.032 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -5.796 -5.636 -10.398 1.00 0.00 H new ATOM 1599 N LEU A 104 -6.975 -3.511 -8.412 1.00 0.00 N ATOM 1600 CA LEU A 104 -6.026 -2.624 -7.748 1.00 0.00 C ATOM 1601 C LEU A 104 -4.628 -3.235 -7.735 1.00 0.00 C ATOM 1602 O LEU A 104 -4.352 -4.162 -6.973 1.00 0.00 O ATOM 1603 CB LEU A 104 -6.482 -2.336 -6.316 1.00 0.00 C ATOM 1604 CG LEU A 104 -5.676 -1.284 -5.554 1.00 0.00 C ATOM 1605 CD1 LEU A 104 -5.951 0.105 -6.110 1.00 0.00 C ATOM 1606 CD2 LEU A 104 -5.999 -1.339 -4.068 1.00 0.00 C ATOM 0 H LEU A 104 -7.482 -4.133 -7.783 1.00 0.00 H new ATOM 0 HA LEU A 104 -5.989 -1.688 -8.306 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -7.524 -2.016 -6.345 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.451 -3.268 -5.752 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.616 -1.501 -5.684 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.369 0.841 -5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.669 0.138 -7.162 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -7.012 0.333 -6.011 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.416 -0.583 -3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.062 -1.147 -3.919 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -5.751 -2.326 -3.678 1.00 0.00 H new ATOM 1618 N CYS A 105 -3.750 -2.708 -8.582 1.00 0.00 N ATOM 1619 CA CYS A 105 -2.380 -3.200 -8.667 1.00 0.00 C ATOM 1620 C CYS A 105 -1.447 -2.365 -7.797 1.00 0.00 C ATOM 1621 O CYS A 105 -0.942 -1.329 -8.229 1.00 0.00 O ATOM 1622 CB CYS A 105 -1.898 -3.180 -10.119 1.00 0.00 C ATOM 1623 SG CYS A 105 -0.504 -4.283 -10.449 1.00 0.00 S ATOM 0 H CYS A 105 -3.963 -1.940 -9.219 1.00 0.00 H new ATOM 0 HA CYS A 105 -2.366 -4.227 -8.301 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -2.728 -3.456 -10.770 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -1.612 -2.162 -10.382 1.00 0.00 H new ATOM 0 HG CYS A 105 -0.170 -4.198 -11.703 1.00 0.00 H new ATOM 1629 N MET A 106 -1.224 -2.821 -6.569 1.00 0.00 N ATOM 1630 CA MET A 106 -0.352 -2.115 -5.638 1.00 0.00 C ATOM 1631 C MET A 106 1.116 -2.386 -5.955 1.00 0.00 C ATOM 1632 O MET A 106 1.506 -3.528 -6.195 1.00 0.00 O ATOM 1633 CB MET A 106 -0.660 -2.533 -4.199 1.00 0.00 C ATOM 1634 CG MET A 106 0.032 -1.673 -3.155 1.00 0.00 C ATOM 1635 SD MET A 106 1.800 -2.007 -3.040 1.00 0.00 S ATOM 1636 CE MET A 106 1.960 -2.391 -1.298 1.00 0.00 C ATOM 0 H MET A 106 -1.635 -3.676 -6.195 1.00 0.00 H new ATOM 0 HA MET A 106 -0.538 -1.046 -5.746 1.00 0.00 H new ATOM 0 HB2 MET A 106 -1.737 -2.488 -4.039 1.00 0.00 H new ATOM 0 HB3 MET A 106 -0.360 -3.572 -4.059 1.00 0.00 H new ATOM 0 HG2 MET A 106 -0.120 -0.621 -3.398 1.00 0.00 H new ATOM 0 HG3 MET A 106 -0.430 -1.846 -2.183 1.00 0.00 H new ATOM 0 HE1 MET A 106 2.994 -2.655 -1.077 1.00 0.00 H new ATOM 0 HE2 MET A 106 1.673 -1.522 -0.706 1.00 0.00 H new ATOM 0 HE3 MET A 106 1.310 -3.230 -1.049 1.00 0.00 H new ATOM 1646 N GLU A 107 1.922 -1.330 -5.955 1.00 0.00 N ATOM 1647 CA GLU A 107 3.346 -1.456 -6.244 1.00 0.00 C ATOM 1648 C GLU A 107 4.177 -0.653 -5.248 1.00 0.00 C ATOM 1649 O GLU A 107 4.347 0.556 -5.397 1.00 0.00 O ATOM 1650 CB GLU A 107 3.643 -0.985 -7.669 1.00 0.00 C ATOM 1651 CG GLU A 107 4.849 -1.666 -8.296 1.00 0.00 C ATOM 1652 CD GLU A 107 5.431 -0.874 -9.450 1.00 0.00 C ATOM 1653 OE1 GLU A 107 4.828 -0.889 -10.544 1.00 0.00 O ATOM 1654 OE2 GLU A 107 6.490 -0.239 -9.261 1.00 0.00 O ATOM 0 H GLU A 107 1.614 -0.378 -5.758 1.00 0.00 H new ATOM 0 HA GLU A 107 3.617 -2.508 -6.152 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.768 -1.168 -8.293 1.00 0.00 H new ATOM 0 HB3 GLU A 107 3.809 0.092 -7.660 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.616 -1.810 -7.535 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.560 -2.656 -8.649 1.00 0.00 H new ATOM 1661 N GLY A 108 4.691 -1.335 -4.229 1.00 0.00 N ATOM 1662 CA GLY A 108 5.497 -0.670 -3.222 1.00 0.00 C ATOM 1663 C GLY A 108 6.958 -1.068 -3.293 1.00 0.00 C ATOM 1664 O GLY A 108 7.281 -2.249 -3.421 1.00 0.00 O ATOM 0 H GLY A 108 4.564 -2.336 -4.083 1.00 0.00 H new ATOM 0 HA2 GLY A 108 5.411 0.409 -3.347 1.00 0.00 H new ATOM 0 HA3 GLY A 108 5.106 -0.908 -2.233 1.00 0.00 H new ATOM 1668 N ARG A 109 7.844 -0.081 -3.210 1.00 0.00 N ATOM 1669 CA ARG A 109 9.278 -0.334 -3.268 1.00 0.00 C ATOM 1670 C ARG A 109 10.011 0.435 -2.173 1.00 0.00 C ATOM 1671 O ARG A 109 9.964 1.664 -2.126 1.00 0.00 O ATOM 1672 CB ARG A 109 9.832 0.057 -4.640 1.00 0.00 C ATOM 1673 CG ARG A 109 9.536 1.497 -5.027 1.00 0.00 C ATOM 1674 CD ARG A 109 9.365 1.645 -6.531 1.00 0.00 C ATOM 1675 NE ARG A 109 9.433 3.041 -6.955 1.00 0.00 N ATOM 1676 CZ ARG A 109 9.104 3.456 -8.173 1.00 0.00 C ATOM 1677 NH1 ARG A 109 8.687 2.586 -9.083 1.00 0.00 N ATOM 1678 NH2 ARG A 109 9.192 4.743 -8.483 1.00 0.00 N ATOM 0 H ARG A 109 7.593 0.902 -3.102 1.00 0.00 H new ATOM 0 HA ARG A 109 9.440 -1.400 -3.109 1.00 0.00 H new ATOM 0 HB2 ARG A 109 10.911 -0.097 -4.644 1.00 0.00 H new ATOM 0 HB3 ARG A 109 9.412 -0.607 -5.395 1.00 0.00 H new ATOM 0 HG2 ARG A 109 8.630 1.832 -4.522 1.00 0.00 H new ATOM 0 HG3 ARG A 109 10.347 2.141 -4.687 1.00 0.00 H new ATOM 0 HD2 ARG A 109 10.139 1.073 -7.042 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.406 1.222 -6.830 1.00 0.00 H new ATOM 0 HE ARG A 109 9.751 3.735 -6.279 1.00 0.00 H new ATOM 0 HH11 ARG A 109 8.618 1.596 -8.848 1.00 0.00 H new ATOM 0 HH12 ARG A 109 8.435 2.907 -10.018 1.00 0.00 H new ATOM 0 HH21 ARG A 109 9.513 5.415 -7.786 1.00 0.00 H new ATOM 0 HH22 ARG A 109 8.939 5.061 -9.419 1.00 0.00 H new ATOM 1692 N GLY A 110 10.688 -0.297 -1.294 1.00 0.00 N ATOM 1693 CA GLY A 110 11.420 0.333 -0.211 1.00 0.00 C ATOM 1694 C GLY A 110 11.016 -0.199 1.150 1.00 0.00 C ATOM 1695 O GLY A 110 11.413 0.347 2.180 1.00 0.00 O ATOM 0 H GLY A 110 10.743 -1.315 -1.313 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.488 0.173 -0.358 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.252 1.410 -0.241 1.00 0.00 H new ATOM 1699 N ILE A 111 10.222 -1.264 1.154 1.00 0.00 N ATOM 1700 CA ILE A 111 9.763 -1.869 2.399 1.00 0.00 C ATOM 1701 C ILE A 111 10.875 -2.676 3.061 1.00 0.00 C ATOM 1702 O ILE A 111 11.409 -3.628 2.491 1.00 0.00 O ATOM 1703 CB ILE A 111 8.548 -2.786 2.164 1.00 0.00 C ATOM 1704 CG1 ILE A 111 7.297 -1.951 1.885 1.00 0.00 C ATOM 1705 CG2 ILE A 111 8.329 -3.692 3.367 1.00 0.00 C ATOM 1706 CD1 ILE A 111 7.119 -1.600 0.424 1.00 0.00 C ATOM 0 H ILE A 111 9.883 -1.726 0.310 1.00 0.00 H new ATOM 0 HA ILE A 111 9.469 -1.052 3.058 1.00 0.00 H new ATOM 0 HB ILE A 111 8.746 -3.411 1.293 1.00 0.00 H new ATOM 0 HG12 ILE A 111 6.420 -2.499 2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 111 7.346 -1.031 2.468 1.00 0.00 H new ATOM 0 HG21 ILE A 111 7.467 -4.334 3.187 1.00 0.00 H new ATOM 0 HG22 ILE A 111 9.214 -4.308 3.524 1.00 0.00 H new ATOM 0 HG23 ILE A 111 8.149 -3.083 4.253 1.00 0.00 H new ATOM 0 HD11 ILE A 111 6.212 -1.008 0.300 1.00 0.00 H new ATOM 0 HD12 ILE A 111 7.978 -1.024 0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 111 7.038 -2.515 -0.163 1.00 0.00 H new ATOM 1718 N PRO A 112 11.233 -2.289 4.294 1.00 0.00 N ATOM 1719 CA PRO A 112 12.283 -2.964 5.062 1.00 0.00 C ATOM 1720 C PRO A 112 12.117 -4.480 5.062 1.00 0.00 C ATOM 1721 O PRO A 112 11.068 -4.999 5.441 1.00 0.00 O ATOM 1722 CB PRO A 112 12.102 -2.406 6.476 1.00 0.00 C ATOM 1723 CG PRO A 112 11.467 -1.073 6.280 1.00 0.00 C ATOM 1724 CD PRO A 112 10.639 -1.162 5.034 1.00 0.00 C ATOM 0 HA PRO A 112 13.273 -2.787 4.643 1.00 0.00 H new ATOM 0 HB2 PRO A 112 11.473 -3.059 7.081 1.00 0.00 H new ATOM 0 HB3 PRO A 112 13.058 -2.317 6.992 1.00 0.00 H new ATOM 0 HG2 PRO A 112 10.847 -0.811 7.137 1.00 0.00 H new ATOM 0 HG3 PRO A 112 12.225 -0.295 6.185 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.589 -1.344 5.264 1.00 0.00 H new ATOM 0 HD3 PRO A 112 10.683 -0.238 4.458 1.00 0.00 H new ATOM 1732 N ALA A 113 13.160 -5.184 4.636 1.00 0.00 N ATOM 1733 CA ALA A 113 13.131 -6.641 4.589 1.00 0.00 C ATOM 1734 C ALA A 113 12.616 -7.222 5.902 1.00 0.00 C ATOM 1735 O ALA A 113 11.726 -8.073 5.925 1.00 0.00 O ATOM 1736 CB ALA A 113 14.516 -7.187 4.275 1.00 0.00 C ATOM 0 H ALA A 113 14.036 -4.769 4.318 1.00 0.00 H new ATOM 0 HA ALA A 113 12.446 -6.941 3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 113 14.479 -8.276 4.243 1.00 0.00 H new ATOM 0 HB2 ALA A 113 14.847 -6.807 3.308 1.00 0.00 H new ATOM 0 HB3 ALA A 113 15.216 -6.870 5.048 1.00 0.00 H new ATOM 1742 N PRO A 114 13.186 -6.753 7.021 1.00 0.00 N ATOM 1743 CA PRO A 114 12.800 -7.213 8.359 1.00 0.00 C ATOM 1744 C PRO A 114 11.325 -6.965 8.654 1.00 0.00 C ATOM 1745 O PRO A 114 10.675 -7.764 9.327 1.00 0.00 O ATOM 1746 CB PRO A 114 13.680 -6.375 9.290 1.00 0.00 C ATOM 1747 CG PRO A 114 14.837 -5.962 8.447 1.00 0.00 C ATOM 1748 CD PRO A 114 14.252 -5.739 7.068 1.00 0.00 C ATOM 0 HA PRO A 114 12.936 -8.288 8.475 1.00 0.00 H new ATOM 0 HB2 PRO A 114 13.140 -5.509 9.672 1.00 0.00 H new ATOM 0 HB3 PRO A 114 14.006 -6.954 10.154 1.00 0.00 H new ATOM 0 HG2 PRO A 114 15.302 -5.054 8.831 1.00 0.00 H new ATOM 0 HG3 PRO A 114 15.608 -6.732 8.430 1.00 0.00 H new ATOM 0 HD2 PRO A 114 13.860 -4.729 6.949 1.00 0.00 H new ATOM 0 HD3 PRO A 114 14.992 -5.888 6.282 1.00 0.00 H new ATOM 1756 N GLU A 115 10.804 -5.853 8.145 1.00 0.00 N ATOM 1757 CA GLU A 115 9.404 -5.500 8.355 1.00 0.00 C ATOM 1758 C GLU A 115 8.579 -5.780 7.103 1.00 0.00 C ATOM 1759 O GLU A 115 7.471 -5.265 6.950 1.00 0.00 O ATOM 1760 CB GLU A 115 9.280 -4.025 8.743 1.00 0.00 C ATOM 1761 CG GLU A 115 10.356 -3.557 9.708 1.00 0.00 C ATOM 1762 CD GLU A 115 10.208 -2.094 10.081 1.00 0.00 C ATOM 1763 OE1 GLU A 115 10.370 -1.236 9.189 1.00 0.00 O ATOM 1764 OE2 GLU A 115 9.931 -1.809 11.265 1.00 0.00 O ATOM 0 H GLU A 115 11.329 -5.182 7.585 1.00 0.00 H new ATOM 0 HA GLU A 115 9.018 -6.115 9.168 1.00 0.00 H new ATOM 0 HB2 GLU A 115 9.323 -3.416 7.840 1.00 0.00 H new ATOM 0 HB3 GLU A 115 8.302 -3.858 9.194 1.00 0.00 H new ATOM 0 HG2 GLU A 115 10.317 -4.164 10.612 1.00 0.00 H new ATOM 0 HG3 GLU A 115 11.336 -3.716 9.259 1.00 0.00 H new ATOM 1771 N GLU A 116 9.127 -6.597 6.210 1.00 0.00 N ATOM 1772 CA GLU A 116 8.442 -6.943 4.970 1.00 0.00 C ATOM 1773 C GLU A 116 7.190 -7.768 5.252 1.00 0.00 C ATOM 1774 O GLU A 116 6.069 -7.303 5.044 1.00 0.00 O ATOM 1775 CB GLU A 116 9.379 -7.721 4.043 1.00 0.00 C ATOM 1776 CG GLU A 116 8.666 -8.399 2.886 1.00 0.00 C ATOM 1777 CD GLU A 116 9.588 -9.284 2.070 1.00 0.00 C ATOM 1778 OE1 GLU A 116 10.817 -9.067 2.120 1.00 0.00 O ATOM 1779 OE2 GLU A 116 9.081 -10.194 1.381 1.00 0.00 O ATOM 0 H GLU A 116 10.043 -7.032 6.322 1.00 0.00 H new ATOM 0 HA GLU A 116 8.144 -6.016 4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 116 10.131 -7.040 3.646 1.00 0.00 H new ATOM 0 HB3 GLU A 116 9.908 -8.476 4.625 1.00 0.00 H new ATOM 0 HG2 GLU A 116 7.842 -8.998 3.273 1.00 0.00 H new ATOM 0 HG3 GLU A 116 8.230 -7.639 2.237 1.00 0.00 H new ATOM 1786 N GLU A 117 7.389 -8.993 5.728 1.00 0.00 N ATOM 1787 CA GLU A 117 6.276 -9.882 6.037 1.00 0.00 C ATOM 1788 C GLU A 117 5.214 -9.158 6.861 1.00 0.00 C ATOM 1789 O GLU A 117 4.025 -9.216 6.549 1.00 0.00 O ATOM 1790 CB GLU A 117 6.773 -11.114 6.796 1.00 0.00 C ATOM 1791 CG GLU A 117 5.671 -12.100 7.146 1.00 0.00 C ATOM 1792 CD GLU A 117 6.208 -13.475 7.492 1.00 0.00 C ATOM 1793 OE1 GLU A 117 6.573 -14.223 6.561 1.00 0.00 O ATOM 1794 OE2 GLU A 117 6.262 -13.804 8.696 1.00 0.00 O ATOM 0 H GLU A 117 8.310 -9.392 5.908 1.00 0.00 H new ATOM 0 HA GLU A 117 5.827 -10.201 5.096 1.00 0.00 H new ATOM 0 HB2 GLU A 117 7.526 -11.622 6.193 1.00 0.00 H new ATOM 0 HB3 GLU A 117 7.265 -10.791 7.714 1.00 0.00 H new ATOM 0 HG2 GLU A 117 5.098 -11.715 7.990 1.00 0.00 H new ATOM 0 HG3 GLU A 117 4.983 -12.184 6.305 1.00 0.00 H new ATOM 1801 N ARG A 118 5.654 -8.479 7.915 1.00 0.00 N ATOM 1802 CA ARG A 118 4.742 -7.745 8.785 1.00 0.00 C ATOM 1803 C ARG A 118 3.821 -6.843 7.970 1.00 0.00 C ATOM 1804 O ARG A 118 2.598 -6.896 8.110 1.00 0.00 O ATOM 1805 CB ARG A 118 5.530 -6.909 9.795 1.00 0.00 C ATOM 1806 CG ARG A 118 4.666 -6.299 10.887 1.00 0.00 C ATOM 1807 CD ARG A 118 5.402 -5.193 11.628 1.00 0.00 C ATOM 1808 NE ARG A 118 4.822 -4.936 12.943 1.00 0.00 N ATOM 1809 CZ ARG A 118 3.689 -4.268 13.129 1.00 0.00 C ATOM 1810 NH1 ARG A 118 3.017 -3.793 12.090 1.00 0.00 N ATOM 1811 NH2 ARG A 118 3.226 -4.075 14.358 1.00 0.00 N ATOM 0 H ARG A 118 6.635 -8.422 8.187 1.00 0.00 H new ATOM 0 HA ARG A 118 4.130 -8.469 9.322 1.00 0.00 H new ATOM 0 HB2 ARG A 118 6.294 -7.536 10.255 1.00 0.00 H new ATOM 0 HB3 ARG A 118 6.050 -6.110 9.266 1.00 0.00 H new ATOM 0 HG2 ARG A 118 3.752 -5.899 10.448 1.00 0.00 H new ATOM 0 HG3 ARG A 118 4.368 -7.075 11.592 1.00 0.00 H new ATOM 0 HD2 ARG A 118 6.451 -5.468 11.742 1.00 0.00 H new ATOM 0 HD3 ARG A 118 5.375 -4.279 11.035 1.00 0.00 H new ATOM 0 HE ARG A 118 5.314 -5.289 13.764 1.00 0.00 H new ATOM 0 HH11 ARG A 118 3.370 -3.940 11.144 1.00 0.00 H new ATOM 0 HH12 ARG A 118 2.147 -3.281 12.236 1.00 0.00 H new ATOM 0 HH21 ARG A 118 3.740 -4.440 15.160 1.00 0.00 H new ATOM 0 HH22 ARG A 118 2.356 -3.562 14.501 1.00 0.00 H new ATOM 1825 N THR A 119 4.415 -6.013 7.118 1.00 0.00 N ATOM 1826 CA THR A 119 3.648 -5.098 6.282 1.00 0.00 C ATOM 1827 C THR A 119 2.520 -5.826 5.561 1.00 0.00 C ATOM 1828 O THR A 119 1.345 -5.639 5.879 1.00 0.00 O ATOM 1829 CB THR A 119 4.545 -4.405 5.239 1.00 0.00 C ATOM 1830 OG1 THR A 119 5.543 -3.616 5.897 1.00 0.00 O ATOM 1831 CG2 THR A 119 3.719 -3.520 4.317 1.00 0.00 C ATOM 0 H THR A 119 5.425 -5.956 6.989 1.00 0.00 H new ATOM 0 HA THR A 119 3.224 -4.344 6.945 1.00 0.00 H new ATOM 0 HB THR A 119 5.029 -5.176 4.640 1.00 0.00 H new ATOM 0 HG1 THR A 119 6.177 -4.206 6.355 1.00 0.00 H new ATOM 0 HG21 THR A 119 4.374 -3.041 3.589 1.00 0.00 H new ATOM 0 HG22 THR A 119 2.980 -4.128 3.795 1.00 0.00 H new ATOM 0 HG23 THR A 119 3.211 -2.756 4.905 1.00 0.00 H new ATOM 1839 N ARG A 120 2.883 -6.657 4.590 1.00 0.00 N ATOM 1840 CA ARG A 120 1.900 -7.413 3.823 1.00 0.00 C ATOM 1841 C ARG A 120 0.929 -8.138 4.750 1.00 0.00 C ATOM 1842 O ARG A 120 -0.253 -8.281 4.437 1.00 0.00 O ATOM 1843 CB ARG A 120 2.600 -8.422 2.911 1.00 0.00 C ATOM 1844 CG ARG A 120 1.848 -8.699 1.620 1.00 0.00 C ATOM 1845 CD ARG A 120 2.624 -9.645 0.715 1.00 0.00 C ATOM 1846 NE ARG A 120 1.758 -10.301 -0.262 1.00 0.00 N ATOM 1847 CZ ARG A 120 2.196 -11.175 -1.161 1.00 0.00 C ATOM 1848 NH1 ARG A 120 3.481 -11.497 -1.206 1.00 0.00 N ATOM 1849 NH2 ARG A 120 1.347 -11.730 -2.016 1.00 0.00 N ATOM 0 H ARG A 120 3.851 -6.824 4.315 1.00 0.00 H new ATOM 0 HA ARG A 120 1.335 -6.710 3.210 1.00 0.00 H new ATOM 0 HB2 ARG A 120 3.596 -8.051 2.669 1.00 0.00 H new ATOM 0 HB3 ARG A 120 2.732 -9.358 3.453 1.00 0.00 H new ATOM 0 HG2 ARG A 120 0.874 -9.131 1.850 1.00 0.00 H new ATOM 0 HG3 ARG A 120 1.665 -7.761 1.096 1.00 0.00 H new ATOM 0 HD2 ARG A 120 3.404 -9.090 0.193 1.00 0.00 H new ATOM 0 HD3 ARG A 120 3.123 -10.400 1.322 1.00 0.00 H new ATOM 0 HE ARG A 120 0.763 -10.076 -0.253 1.00 0.00 H new ATOM 0 HH11 ARG A 120 4.136 -11.073 -0.549 1.00 0.00 H new ATOM 0 HH12 ARG A 120 3.815 -12.169 -1.897 1.00 0.00 H new ATOM 0 HH21 ARG A 120 0.357 -11.486 -1.983 1.00 0.00 H new ATOM 0 HH22 ARG A 120 1.684 -12.401 -2.706 1.00 0.00 H new ATOM 1863 N GLN A 121 1.436 -8.592 5.892 1.00 0.00 N ATOM 1864 CA GLN A 121 0.612 -9.303 6.863 1.00 0.00 C ATOM 1865 C GLN A 121 -0.455 -8.384 7.448 1.00 0.00 C ATOM 1866 O GLN A 121 -1.533 -8.834 7.832 1.00 0.00 O ATOM 1867 CB GLN A 121 1.485 -9.870 7.984 1.00 0.00 C ATOM 1868 CG GLN A 121 2.344 -11.047 7.551 1.00 0.00 C ATOM 1869 CD GLN A 121 1.625 -12.375 7.682 1.00 0.00 C ATOM 1870 OE1 GLN A 121 0.472 -12.430 8.111 1.00 0.00 O ATOM 1871 NE2 GLN A 121 2.303 -13.455 7.312 1.00 0.00 N ATOM 0 H GLN A 121 2.412 -8.480 6.167 1.00 0.00 H new ATOM 0 HA GLN A 121 0.114 -10.125 6.348 1.00 0.00 H new ATOM 0 HB2 GLN A 121 2.132 -9.079 8.364 1.00 0.00 H new ATOM 0 HB3 GLN A 121 0.845 -10.182 8.809 1.00 0.00 H new ATOM 0 HG2 GLN A 121 2.651 -10.906 6.515 1.00 0.00 H new ATOM 0 HG3 GLN A 121 3.253 -11.069 8.153 1.00 0.00 H new ATOM 0 HE21 GLN A 121 3.257 -13.363 6.962 1.00 0.00 H new ATOM 0 HE22 GLN A 121 1.870 -14.376 7.378 1.00 0.00 H new ATOM 1880 N GLY A 122 -0.145 -7.092 7.514 1.00 0.00 N ATOM 1881 CA GLY A 122 -1.088 -6.130 8.054 1.00 0.00 C ATOM 1882 C GLY A 122 -1.424 -5.030 7.067 1.00 0.00 C ATOM 1883 O GLY A 122 -1.899 -3.963 7.455 1.00 0.00 O ATOM 0 H GLY A 122 0.742 -6.695 7.203 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.003 -6.646 8.343 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.672 -5.687 8.959 1.00 0.00 H new ATOM 1887 N TRP A 123 -1.175 -5.289 5.788 1.00 0.00 N ATOM 1888 CA TRP A 123 -1.452 -4.311 4.742 1.00 0.00 C ATOM 1889 C TRP A 123 -2.851 -4.509 4.169 1.00 0.00 C ATOM 1890 O TRP A 123 -3.727 -3.663 4.342 1.00 0.00 O ATOM 1891 CB TRP A 123 -0.411 -4.416 3.627 1.00 0.00 C ATOM 1892 CG TRP A 123 -0.115 -3.105 2.965 1.00 0.00 C ATOM 1893 CD1 TRP A 123 0.816 -2.183 3.351 1.00 0.00 C ATOM 1894 CD2 TRP A 123 -0.754 -2.569 1.802 1.00 0.00 C ATOM 1895 NE1 TRP A 123 0.794 -1.106 2.498 1.00 0.00 N ATOM 1896 CE2 TRP A 123 -0.161 -1.319 1.538 1.00 0.00 C ATOM 1897 CE3 TRP A 123 -1.769 -3.024 0.956 1.00 0.00 C ATOM 1898 CZ2 TRP A 123 -0.550 -0.521 0.466 1.00 0.00 C ATOM 1899 CZ3 TRP A 123 -2.155 -2.231 -0.108 1.00 0.00 C ATOM 1900 CH2 TRP A 123 -1.547 -0.991 -0.346 1.00 0.00 C ATOM 0 H TRP A 123 -0.782 -6.168 5.451 1.00 0.00 H new ATOM 0 HA TRP A 123 -1.398 -3.317 5.186 1.00 0.00 H new ATOM 0 HB2 TRP A 123 0.512 -4.823 4.039 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -0.764 -5.123 2.876 1.00 0.00 H new ATOM 0 HD1 TRP A 123 1.473 -2.286 4.202 1.00 0.00 H new ATOM 0 HE1 TRP A 123 1.391 -0.282 2.568 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -2.243 -3.978 1.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 -0.082 0.435 0.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -2.939 -2.573 -0.768 1.00 0.00 H new ATOM 0 HH2 TRP A 123 -1.871 -0.395 -1.186 1.00 0.00 H new ATOM 1911 N GLN A 124 -3.052 -5.632 3.487 1.00 0.00 N ATOM 1912 CA GLN A 124 -4.345 -5.940 2.888 1.00 0.00 C ATOM 1913 C GLN A 124 -5.401 -6.176 3.963 1.00 0.00 C ATOM 1914 O GLN A 124 -6.578 -5.871 3.769 1.00 0.00 O ATOM 1915 CB GLN A 124 -4.234 -7.171 1.987 1.00 0.00 C ATOM 1916 CG GLN A 124 -3.058 -7.116 1.024 1.00 0.00 C ATOM 1917 CD GLN A 124 -1.766 -7.600 1.653 1.00 0.00 C ATOM 1918 OE1 GLN A 124 -0.749 -6.908 1.619 1.00 0.00 O ATOM 1919 NE2 GLN A 124 -1.800 -8.795 2.231 1.00 0.00 N ATOM 0 H GLN A 124 -2.337 -6.343 3.336 1.00 0.00 H new ATOM 0 HA GLN A 124 -4.650 -5.084 2.286 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -4.141 -8.060 2.611 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -5.156 -7.277 1.416 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -3.282 -7.725 0.148 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -2.927 -6.092 0.675 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -2.665 -9.335 2.236 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -0.961 -9.173 2.670 1.00 0.00 H new ATOM 1928 N ARG A 125 -4.972 -6.722 5.096 1.00 0.00 N ATOM 1929 CA ARG A 125 -5.881 -7.000 6.202 1.00 0.00 C ATOM 1930 C ARG A 125 -6.741 -5.781 6.519 1.00 0.00 C ATOM 1931 O ARG A 125 -7.816 -5.902 7.108 1.00 0.00 O ATOM 1932 CB ARG A 125 -5.093 -7.419 7.444 1.00 0.00 C ATOM 1933 CG ARG A 125 -4.868 -8.919 7.546 1.00 0.00 C ATOM 1934 CD ARG A 125 -6.127 -9.642 7.998 1.00 0.00 C ATOM 1935 NE ARG A 125 -5.891 -11.066 8.218 1.00 0.00 N ATOM 1936 CZ ARG A 125 -5.694 -11.938 7.235 1.00 0.00 C ATOM 1937 NH1 ARG A 125 -5.704 -11.533 5.973 1.00 0.00 N ATOM 1938 NH2 ARG A 125 -5.486 -13.219 7.515 1.00 0.00 N ATOM 0 H ARG A 125 -4.001 -6.981 5.272 1.00 0.00 H new ATOM 0 HA ARG A 125 -6.537 -7.818 5.903 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -4.127 -6.915 7.438 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -5.624 -7.079 8.333 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -4.552 -9.307 6.578 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -4.060 -9.120 8.249 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -6.494 -9.189 8.919 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -6.907 -9.516 7.247 1.00 0.00 H new ATOM 0 HE ARG A 125 -5.877 -11.410 9.178 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -5.863 -10.550 5.754 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -5.552 -12.205 5.221 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -5.477 -13.534 8.485 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -5.335 -13.888 6.760 1.00 0.00 H new ATOM 1952 N TYR A 126 -6.262 -4.606 6.125 1.00 0.00 N ATOM 1953 CA TYR A 126 -6.985 -3.364 6.369 1.00 0.00 C ATOM 1954 C TYR A 126 -7.275 -2.636 5.061 1.00 0.00 C ATOM 1955 O TYR A 126 -8.336 -2.033 4.894 1.00 0.00 O ATOM 1956 CB TYR A 126 -6.182 -2.458 7.304 1.00 0.00 C ATOM 1957 CG TYR A 126 -5.359 -3.214 8.322 1.00 0.00 C ATOM 1958 CD1 TYR A 126 -5.855 -4.359 8.934 1.00 0.00 C ATOM 1959 CD2 TYR A 126 -4.085 -2.784 8.671 1.00 0.00 C ATOM 1960 CE1 TYR A 126 -5.107 -5.052 9.865 1.00 0.00 C ATOM 1961 CE2 TYR A 126 -3.329 -3.473 9.600 1.00 0.00 C ATOM 1962 CZ TYR A 126 -3.844 -4.606 10.195 1.00 0.00 C ATOM 1963 OH TYR A 126 -3.095 -5.295 11.121 1.00 0.00 O ATOM 0 H TYR A 126 -5.375 -4.488 5.635 1.00 0.00 H new ATOM 0 HA TYR A 126 -7.935 -3.613 6.842 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -5.520 -1.831 6.708 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -6.867 -1.791 7.827 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -6.842 -4.713 8.677 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -3.679 -1.897 8.209 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -5.509 -5.939 10.333 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -2.340 -3.126 9.859 1.00 0.00 H new ATOM 0 HH TYR A 126 -2.230 -4.850 11.238 1.00 0.00 H new ATOM 1973 N TYR A 127 -6.325 -2.696 4.135 1.00 0.00 N ATOM 1974 CA TYR A 127 -6.475 -2.042 2.841 1.00 0.00 C ATOM 1975 C TYR A 127 -7.634 -2.647 2.055 1.00 0.00 C ATOM 1976 O TYR A 127 -8.647 -1.990 1.813 1.00 0.00 O ATOM 1977 CB TYR A 127 -5.182 -2.158 2.033 1.00 0.00 C ATOM 1978 CG TYR A 127 -4.340 -0.902 2.053 1.00 0.00 C ATOM 1979 CD1 TYR A 127 -4.004 -0.286 3.253 1.00 0.00 C ATOM 1980 CD2 TYR A 127 -3.881 -0.331 0.873 1.00 0.00 C ATOM 1981 CE1 TYR A 127 -3.236 0.862 3.276 1.00 0.00 C ATOM 1982 CE2 TYR A 127 -3.111 0.817 0.886 1.00 0.00 C ATOM 1983 CZ TYR A 127 -2.792 1.409 2.090 1.00 0.00 C ATOM 1984 OH TYR A 127 -2.026 2.552 2.109 1.00 0.00 O ATOM 0 H TYR A 127 -5.442 -3.192 4.257 1.00 0.00 H new ATOM 0 HA TYR A 127 -6.691 -0.989 3.019 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -4.592 -2.987 2.424 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -5.430 -2.403 1.000 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -4.349 -0.712 4.183 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -4.130 -0.792 -0.071 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -2.985 1.329 4.217 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -2.761 1.248 -0.041 1.00 0.00 H new ATOM 0 HH TYR A 127 -1.208 2.389 2.624 1.00 0.00 H new ATOM 1994 N PHE A 128 -7.479 -3.907 1.660 1.00 0.00 N ATOM 1995 CA PHE A 128 -8.511 -4.603 0.902 1.00 0.00 C ATOM 1996 C PHE A 128 -9.434 -5.386 1.831 1.00 0.00 C ATOM 1997 O PHE A 128 -10.608 -5.050 1.984 1.00 0.00 O ATOM 1998 CB PHE A 128 -7.874 -5.549 -0.118 1.00 0.00 C ATOM 1999 CG PHE A 128 -6.653 -4.981 -0.782 1.00 0.00 C ATOM 2000 CD1 PHE A 128 -6.463 -3.610 -0.857 1.00 0.00 C ATOM 2001 CD2 PHE A 128 -5.694 -5.817 -1.332 1.00 0.00 C ATOM 2002 CE1 PHE A 128 -5.340 -3.083 -1.467 1.00 0.00 C ATOM 2003 CE2 PHE A 128 -4.569 -5.296 -1.943 1.00 0.00 C ATOM 2004 CZ PHE A 128 -4.393 -3.928 -2.011 1.00 0.00 C ATOM 0 H PHE A 128 -6.648 -4.466 1.853 1.00 0.00 H new ATOM 0 HA PHE A 128 -9.104 -3.856 0.374 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -7.606 -6.481 0.380 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -8.611 -5.796 -0.882 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -7.201 -2.945 -0.434 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -5.827 -6.888 -1.283 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -5.204 -2.013 -1.518 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -3.828 -5.958 -2.367 1.00 0.00 H new ATOM 0 HZ PHE A 128 -3.515 -3.519 -2.489 1.00 0.00 H new ATOM 2014 N GLU A 129 -8.894 -6.431 2.449 1.00 0.00 N ATOM 2015 CA GLU A 129 -9.669 -7.263 3.363 1.00 0.00 C ATOM 2016 C GLU A 129 -10.697 -6.427 4.119 1.00 0.00 C ATOM 2017 O GLU A 129 -11.787 -6.901 4.436 1.00 0.00 O ATOM 2018 CB GLU A 129 -8.743 -7.972 4.353 1.00 0.00 C ATOM 2019 CG GLU A 129 -7.785 -8.951 3.697 1.00 0.00 C ATOM 2020 CD GLU A 129 -8.502 -10.038 2.920 1.00 0.00 C ATOM 2021 OE1 GLU A 129 -9.656 -10.358 3.275 1.00 0.00 O ATOM 2022 OE2 GLU A 129 -7.910 -10.568 1.958 1.00 0.00 O ATOM 0 H GLU A 129 -7.923 -6.722 2.334 1.00 0.00 H new ATOM 0 HA GLU A 129 -10.198 -8.012 2.773 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -8.168 -7.224 4.899 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -9.349 -8.505 5.086 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -7.120 -8.408 3.025 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -7.159 -9.410 4.463 1.00 0.00 H new ATOM 2029 N GLY A 130 -10.341 -5.178 4.406 1.00 0.00 N ATOM 2030 CA GLY A 130 -11.242 -4.296 5.124 1.00 0.00 C ATOM 2031 C GLY A 130 -12.336 -3.737 4.236 1.00 0.00 C ATOM 2032 O GLY A 130 -13.512 -4.055 4.413 1.00 0.00 O ATOM 0 H GLY A 130 -9.445 -4.762 4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -11.694 -4.840 5.953 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -10.673 -3.473 5.556 1.00 0.00 H new ATOM 2036 N ILE A 131 -11.948 -2.901 3.278 1.00 0.00 N ATOM 2037 CA ILE A 131 -12.905 -2.296 2.360 1.00 0.00 C ATOM 2038 C ILE A 131 -13.814 -3.352 1.739 1.00 0.00 C ATOM 2039 O ILE A 131 -15.018 -3.141 1.590 1.00 0.00 O ATOM 2040 CB ILE A 131 -12.193 -1.522 1.235 1.00 0.00 C ATOM 2041 CG1 ILE A 131 -11.290 -0.437 1.825 1.00 0.00 C ATOM 2042 CG2 ILE A 131 -13.213 -0.911 0.285 1.00 0.00 C ATOM 2043 CD1 ILE A 131 -10.364 0.196 0.810 1.00 0.00 C ATOM 0 H ILE A 131 -10.978 -2.628 3.118 1.00 0.00 H new ATOM 0 HA ILE A 131 -13.507 -1.600 2.944 1.00 0.00 H new ATOM 0 HB ILE A 131 -11.572 -2.218 0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 131 -11.912 0.339 2.271 1.00 0.00 H new ATOM 0 HG13 ILE A 131 -10.694 -0.869 2.629 1.00 0.00 H new ATOM 0 HG21 ILE A 131 -12.695 -0.367 -0.505 1.00 0.00 H new ATOM 0 HG22 ILE A 131 -13.819 -1.702 -0.157 1.00 0.00 H new ATOM 0 HG23 ILE A 131 -13.857 -0.225 0.835 1.00 0.00 H new ATOM 0 HD11 ILE A 131 -9.754 0.956 1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 131 -9.717 -0.569 0.381 1.00 0.00 H new ATOM 0 HD13 ILE A 131 -10.953 0.658 0.018 1.00 0.00 H new ATOM 2055 N LYS A 132 -13.230 -4.490 1.380 1.00 0.00 N ATOM 2056 CA LYS A 132 -13.986 -5.582 0.778 1.00 0.00 C ATOM 2057 C LYS A 132 -15.130 -6.018 1.688 1.00 0.00 C ATOM 2058 O LYS A 132 -16.120 -6.585 1.227 1.00 0.00 O ATOM 2059 CB LYS A 132 -13.066 -6.770 0.492 1.00 0.00 C ATOM 2060 CG LYS A 132 -12.100 -6.529 -0.655 1.00 0.00 C ATOM 2061 CD LYS A 132 -11.160 -7.707 -0.849 1.00 0.00 C ATOM 2062 CE LYS A 132 -11.623 -8.608 -1.984 1.00 0.00 C ATOM 2063 NZ LYS A 132 -11.699 -7.876 -3.278 1.00 0.00 N ATOM 0 H LYS A 132 -12.235 -4.680 1.496 1.00 0.00 H new ATOM 0 HA LYS A 132 -14.408 -5.224 -0.161 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -12.497 -7.003 1.392 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -13.676 -7.644 0.265 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -12.661 -6.355 -1.573 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -11.519 -5.627 -0.460 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -10.155 -7.341 -1.060 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -11.102 -8.284 0.074 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -10.937 -9.449 -2.083 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -12.602 -9.022 -1.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -11.767 -8.559 -4.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -12.538 -7.262 -3.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -10.845 -7.295 -3.399 1.00 0.00 H new ATOM 2077 N GLN A 133 -14.987 -5.748 2.982 1.00 0.00 N ATOM 2078 CA GLN A 133 -16.009 -6.113 3.956 1.00 0.00 C ATOM 2079 C GLN A 133 -16.878 -4.911 4.308 1.00 0.00 C ATOM 2080 O GLN A 133 -18.102 -4.954 4.173 1.00 0.00 O ATOM 2081 CB GLN A 133 -15.360 -6.677 5.221 1.00 0.00 C ATOM 2082 CG GLN A 133 -14.445 -7.862 4.959 1.00 0.00 C ATOM 2083 CD GLN A 133 -15.176 -9.189 5.021 1.00 0.00 C ATOM 2084 OE1 GLN A 133 -16.283 -9.276 5.552 1.00 0.00 O ATOM 2085 NE2 GLN A 133 -14.558 -10.231 4.476 1.00 0.00 N ATOM 0 H GLN A 133 -14.174 -5.278 3.380 1.00 0.00 H new ATOM 0 HA GLN A 133 -16.644 -6.879 3.510 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -14.788 -5.888 5.709 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -16.143 -6.980 5.917 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -13.985 -7.751 3.977 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -13.638 -7.862 5.691 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -13.640 -10.112 4.046 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -15.001 -11.150 4.487 1.00 0.00 H new ATOM 2094 N THR A 134 -16.239 -3.837 4.762 1.00 0.00 N ATOM 2095 CA THR A 134 -16.954 -2.623 5.135 1.00 0.00 C ATOM 2096 C THR A 134 -17.834 -2.130 3.993 1.00 0.00 C ATOM 2097 O THR A 134 -19.051 -2.013 4.139 1.00 0.00 O ATOM 2098 CB THR A 134 -15.980 -1.500 5.540 1.00 0.00 C ATOM 2099 OG1 THR A 134 -15.185 -1.919 6.655 1.00 0.00 O ATOM 2100 CG2 THR A 134 -16.738 -0.231 5.900 1.00 0.00 C ATOM 0 H THR A 134 -15.227 -3.784 4.880 1.00 0.00 H new ATOM 0 HA THR A 134 -17.582 -2.876 5.990 1.00 0.00 H new ATOM 0 HB THR A 134 -15.331 -1.288 4.691 1.00 0.00 H new ATOM 0 HG1 THR A 134 -15.551 -1.536 7.480 1.00 0.00 H new ATOM 0 HG21 THR A 134 -16.030 0.548 6.183 1.00 0.00 H new ATOM 0 HG22 THR A 134 -17.319 0.102 5.040 1.00 0.00 H new ATOM 0 HG23 THR A 134 -17.409 -0.432 6.735 1.00 0.00 H new ATOM 2108 N PHE A 135 -17.212 -1.842 2.854 1.00 0.00 N ATOM 2109 CA PHE A 135 -17.940 -1.360 1.686 1.00 0.00 C ATOM 2110 C PHE A 135 -18.548 -2.523 0.907 1.00 0.00 C ATOM 2111 O PHE A 135 -19.536 -2.357 0.193 1.00 0.00 O ATOM 2112 CB PHE A 135 -17.011 -0.552 0.777 1.00 0.00 C ATOM 2113 CG PHE A 135 -16.537 0.732 1.395 1.00 0.00 C ATOM 2114 CD1 PHE A 135 -15.728 0.719 2.519 1.00 0.00 C ATOM 2115 CD2 PHE A 135 -16.900 1.953 0.850 1.00 0.00 C ATOM 2116 CE1 PHE A 135 -15.291 1.899 3.090 1.00 0.00 C ATOM 2117 CE2 PHE A 135 -16.466 3.137 1.416 1.00 0.00 C ATOM 2118 CZ PHE A 135 -15.660 3.110 2.537 1.00 0.00 C ATOM 0 H PHE A 135 -16.206 -1.934 2.715 1.00 0.00 H new ATOM 0 HA PHE A 135 -18.748 -0.716 2.032 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -16.146 -1.163 0.519 1.00 0.00 H new ATOM 0 HB3 PHE A 135 -17.531 -0.328 -0.154 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -15.435 -0.225 2.955 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -17.529 1.980 -0.027 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -14.662 1.875 3.967 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -16.757 4.082 0.982 1.00 0.00 H new ATOM 0 HZ PHE A 135 -15.319 4.034 2.980 1.00 0.00 H new ATOM 2128 N GLY A 136 -17.948 -3.701 1.049 1.00 0.00 N ATOM 2129 CA GLY A 136 -18.442 -4.874 0.353 1.00 0.00 C ATOM 2130 C GLY A 136 -17.944 -4.952 -1.077 1.00 0.00 C ATOM 2131 O GLY A 136 -18.712 -5.247 -1.994 1.00 0.00 O ATOM 0 H GLY A 136 -17.128 -3.864 1.634 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -18.132 -5.770 0.892 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -19.532 -4.862 0.355 1.00 0.00 H new ATOM 2135 N TYR A 137 -16.657 -4.687 -1.269 1.00 0.00 N ATOM 2136 CA TYR A 137 -16.059 -4.724 -2.598 1.00 0.00 C ATOM 2137 C TYR A 137 -15.260 -6.008 -2.799 1.00 0.00 C ATOM 2138 O TYR A 137 -14.343 -6.060 -3.618 1.00 0.00 O ATOM 2139 CB TYR A 137 -15.154 -3.509 -2.807 1.00 0.00 C ATOM 2140 CG TYR A 137 -15.875 -2.187 -2.677 1.00 0.00 C ATOM 2141 CD1 TYR A 137 -17.255 -2.109 -2.823 1.00 0.00 C ATOM 2142 CD2 TYR A 137 -15.178 -1.015 -2.410 1.00 0.00 C ATOM 2143 CE1 TYR A 137 -17.919 -0.903 -2.706 1.00 0.00 C ATOM 2144 CE2 TYR A 137 -15.834 0.195 -2.289 1.00 0.00 C ATOM 2145 CZ TYR A 137 -17.204 0.246 -2.438 1.00 0.00 C ATOM 2146 OH TYR A 137 -17.861 1.449 -2.321 1.00 0.00 O ATOM 0 H TYR A 137 -16.008 -4.444 -0.521 1.00 0.00 H new ATOM 0 HA TYR A 137 -16.864 -4.699 -3.332 1.00 0.00 H new ATOM 0 HB2 TYR A 137 -14.341 -3.543 -2.081 1.00 0.00 H new ATOM 0 HB3 TYR A 137 -14.701 -3.570 -3.796 1.00 0.00 H new ATOM 0 HD1 TYR A 137 -17.818 -3.007 -3.032 1.00 0.00 H new ATOM 0 HD2 TYR A 137 -14.105 -1.050 -2.295 1.00 0.00 H new ATOM 0 HE1 TYR A 137 -18.992 -0.860 -2.824 1.00 0.00 H new ATOM 0 HE2 TYR A 137 -15.277 1.096 -2.079 1.00 0.00 H new ATOM 0 HH TYR A 137 -18.616 1.351 -1.704 1.00 0.00 H new ATOM 2156 N GLY A 138 -15.616 -7.044 -2.046 1.00 0.00 N ATOM 2157 CA GLY A 138 -14.924 -8.315 -2.156 1.00 0.00 C ATOM 2158 C GLY A 138 -15.795 -9.399 -2.760 1.00 0.00 C ATOM 2159 O GLY A 138 -16.983 -9.187 -3.002 1.00 0.00 O ATOM 0 H GLY A 138 -16.372 -7.026 -1.361 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -14.031 -8.187 -2.768 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -14.590 -8.630 -1.167 1.00 0.00 H new ATOM 2163 N ALA A 139 -15.202 -10.563 -3.006 1.00 0.00 N ATOM 2164 CA ALA A 139 -15.932 -11.684 -3.585 1.00 0.00 C ATOM 2165 C ALA A 139 -15.889 -12.900 -2.667 1.00 0.00 C ATOM 2166 O ALA A 139 -15.100 -12.950 -1.723 1.00 0.00 O ATOM 2167 CB ALA A 139 -15.364 -12.033 -4.953 1.00 0.00 C ATOM 0 H ALA A 139 -14.219 -10.754 -2.813 1.00 0.00 H new ATOM 0 HA ALA A 139 -16.974 -11.386 -3.701 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -15.918 -12.872 -5.374 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -15.452 -11.171 -5.614 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -14.314 -12.306 -4.852 1.00 0.00 H new