USER MOD reduce.3.24.130724 H: found=0, std=0, add=294, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 296 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 LYS NZ :NH3+ -115:sc= -2.29! (180deg=-5.32!) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot -160:sc= -0.996 USER MOD Single : A 15 GLN : amide:sc= -0.0157 K(o=-0.016,f=-0.69) USER MOD Single : A 19 THR OG1 : rot 54:sc= 0.226 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -130:sc= -0.245 (180deg=-2.41!) USER MOD Single : A 43 LYS NZ :NH3+ -178:sc= -0.303 (180deg=-0.324) USER MOD Single : A 44 LYS NZ :NH3+ 151:sc= -0.484 (180deg=-2!) USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 8 32.530 -9.630 20.376 1.00 0.00 N ATOM 84 CA LYS A 8 32.269 -8.772 19.229 1.00 0.00 C ATOM 85 C LYS A 8 31.479 -9.524 18.164 1.00 0.00 C ATOM 86 O LYS A 8 30.779 -8.916 17.355 1.00 0.00 O ATOM 87 CB LYS A 8 33.592 -8.285 18.636 1.00 0.00 C ATOM 88 CG LYS A 8 34.506 -7.625 19.683 1.00 0.00 C ATOM 89 CD LYS A 8 35.987 -7.628 19.250 1.00 0.00 C ATOM 90 CE LYS A 8 36.180 -7.473 17.731 1.00 0.00 C ATOM 91 NZ LYS A 8 35.261 -6.446 17.161 1.00 0.00 N ATOM 0 HA LYS A 8 31.681 -7.917 19.563 1.00 0.00 H new ATOM 0 HB2 LYS A 8 34.115 -9.128 18.184 1.00 0.00 H new ATOM 0 HB3 LYS A 8 33.387 -7.572 17.838 1.00 0.00 H new ATOM 0 HG2 LYS A 8 34.181 -6.598 19.851 1.00 0.00 H new ATOM 0 HG3 LYS A 8 34.406 -8.151 20.633 1.00 0.00 H new ATOM 0 HD2 LYS A 8 36.508 -6.818 19.760 1.00 0.00 H new ATOM 0 HD3 LYS A 8 36.451 -8.559 19.575 1.00 0.00 H new ATOM 0 HE2 LYS A 8 37.213 -7.194 17.522 1.00 0.00 H new ATOM 0 HE3 LYS A 8 36.004 -8.431 17.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 34.591 -6.903 16.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 34.735 -5.985 17.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 35.815 -5.733 16.645 1.00 0.00 H new ATOM 105 N ALA A 9 31.605 -10.850 18.166 1.00 0.00 N ATOM 106 CA ALA A 9 30.914 -11.709 17.198 1.00 0.00 C ATOM 107 C ALA A 9 29.502 -11.201 16.902 1.00 0.00 C ATOM 108 O ALA A 9 29.263 -10.581 15.867 1.00 0.00 O ATOM 109 CB ALA A 9 30.845 -13.135 17.737 1.00 0.00 C ATOM 0 H ALA A 9 32.185 -11.359 18.833 1.00 0.00 H new ATOM 0 HA ALA A 9 31.479 -11.690 16.266 1.00 0.00 H new ATOM 0 HB1 ALA A 9 30.331 -13.772 17.017 1.00 0.00 H new ATOM 0 HB2 ALA A 9 31.855 -13.512 17.899 1.00 0.00 H new ATOM 0 HB3 ALA A 9 30.299 -13.141 18.681 1.00 0.00 H new ATOM 115 N ALA A 10 28.569 -11.476 17.811 1.00 0.00 N ATOM 116 CA ALA A 10 27.179 -11.054 17.640 1.00 0.00 C ATOM 117 C ALA A 10 27.100 -9.589 17.230 1.00 0.00 C ATOM 118 O ALA A 10 26.488 -9.252 16.217 1.00 0.00 O ATOM 119 CB ALA A 10 26.405 -11.269 18.939 1.00 0.00 C ATOM 0 H ALA A 10 28.750 -11.989 18.674 1.00 0.00 H new ATOM 0 HA ALA A 10 26.735 -11.658 16.848 1.00 0.00 H new ATOM 0 HB1 ALA A 10 25.371 -10.952 18.803 1.00 0.00 H new ATOM 0 HB2 ALA A 10 26.429 -12.326 19.206 1.00 0.00 H new ATOM 0 HB3 ALA A 10 26.862 -10.683 19.736 1.00 0.00 H new ATOM 125 N PHE A 11 27.721 -8.719 18.022 1.00 0.00 N ATOM 126 CA PHE A 11 27.716 -7.286 17.739 1.00 0.00 C ATOM 127 C PHE A 11 28.139 -7.027 16.297 1.00 0.00 C ATOM 128 O PHE A 11 27.608 -6.136 15.634 1.00 0.00 O ATOM 129 CB PHE A 11 28.661 -6.561 18.693 1.00 0.00 C ATOM 130 CG PHE A 11 28.208 -5.148 19.007 1.00 0.00 C ATOM 131 CD1 PHE A 11 28.098 -4.225 17.980 1.00 0.00 C ATOM 132 CD2 PHE A 11 27.903 -4.768 20.313 1.00 0.00 C ATOM 133 CE1 PHE A 11 27.687 -2.930 18.248 1.00 0.00 C ATOM 134 CE2 PHE A 11 27.492 -3.471 20.576 1.00 0.00 C ATOM 135 CZ PHE A 11 27.384 -2.554 19.545 1.00 0.00 C ATOM 0 H PHE A 11 28.234 -8.981 18.864 1.00 0.00 H new ATOM 0 HA PHE A 11 26.704 -6.908 17.882 1.00 0.00 H new ATOM 0 HB2 PHE A 11 28.738 -7.128 19.621 1.00 0.00 H new ATOM 0 HB3 PHE A 11 29.659 -6.529 18.255 1.00 0.00 H new ATOM 0 HD1 PHE A 11 28.334 -4.516 16.967 1.00 0.00 H new ATOM 0 HD2 PHE A 11 27.987 -5.483 21.118 1.00 0.00 H new ATOM 0 HE1 PHE A 11 27.603 -2.213 17.445 1.00 0.00 H new ATOM 0 HE2 PHE A 11 27.256 -3.175 21.587 1.00 0.00 H new ATOM 0 HZ PHE A 11 27.063 -1.544 19.753 1.00 0.00 H new ATOM 145 N ASN A 12 29.097 -7.813 15.815 1.00 0.00 N ATOM 146 CA ASN A 12 29.592 -7.670 14.450 1.00 0.00 C ATOM 147 C ASN A 12 28.547 -8.155 13.454 1.00 0.00 C ATOM 148 O ASN A 12 28.403 -7.596 12.366 1.00 0.00 O ATOM 149 CB ASN A 12 30.882 -8.467 14.276 1.00 0.00 C ATOM 150 CG ASN A 12 31.817 -7.751 13.312 1.00 0.00 C ATOM 151 OD1 ASN A 12 32.451 -6.757 13.669 1.00 0.00 O ATOM 152 ND2 ASN A 12 31.906 -8.255 12.087 1.00 0.00 N ATOM 0 H ASN A 12 29.546 -8.556 16.350 1.00 0.00 H new ATOM 0 HA ASN A 12 29.794 -6.616 14.262 1.00 0.00 H new ATOM 0 HB2 ASN A 12 31.372 -8.595 15.241 1.00 0.00 H new ATOM 0 HB3 ASN A 12 30.654 -9.464 13.900 1.00 0.00 H new ATOM 0 HD21 ASN A 12 32.518 -7.817 11.399 1.00 0.00 H new ATOM 0 HD22 ASN A 12 31.362 -9.080 11.834 1.00 0.00 H new ATOM 159 N SER A 13 27.821 -9.201 13.831 1.00 0.00 N ATOM 160 CA SER A 13 26.786 -9.771 12.976 1.00 0.00 C ATOM 161 C SER A 13 25.658 -8.773 12.756 1.00 0.00 C ATOM 162 O SER A 13 24.989 -8.795 11.722 1.00 0.00 O ATOM 163 CB SER A 13 26.230 -11.036 13.620 1.00 0.00 C ATOM 164 OG SER A 13 27.108 -11.511 14.627 1.00 0.00 O ATOM 0 H SER A 13 27.931 -9.674 14.728 1.00 0.00 H new ATOM 0 HA SER A 13 27.229 -10.013 12.010 1.00 0.00 H new ATOM 0 HB2 SER A 13 25.250 -10.830 14.052 1.00 0.00 H new ATOM 0 HB3 SER A 13 26.089 -11.805 12.861 1.00 0.00 H new ATOM 0 HG SER A 13 26.920 -12.456 14.806 1.00 0.00 H new ATOM 170 N LEU A 14 25.442 -7.907 13.739 1.00 0.00 N ATOM 171 CA LEU A 14 24.379 -6.908 13.659 1.00 0.00 C ATOM 172 C LEU A 14 24.800 -5.738 12.772 1.00 0.00 C ATOM 173 O LEU A 14 23.963 -5.107 12.126 1.00 0.00 O ATOM 174 CB LEU A 14 24.032 -6.408 15.065 1.00 0.00 C ATOM 175 CG LEU A 14 23.067 -5.206 15.029 1.00 0.00 C ATOM 176 CD1 LEU A 14 21.802 -5.528 14.225 1.00 0.00 C ATOM 177 CD2 LEU A 14 22.683 -4.753 16.445 1.00 0.00 C ATOM 0 H LEU A 14 25.987 -7.875 14.600 1.00 0.00 H new ATOM 0 HA LEU A 14 23.498 -7.371 13.215 1.00 0.00 H new ATOM 0 HB2 LEU A 14 23.580 -7.219 15.637 1.00 0.00 H new ATOM 0 HB3 LEU A 14 24.947 -6.123 15.584 1.00 0.00 H new ATOM 0 HG LEU A 14 23.595 -4.390 14.535 1.00 0.00 H new ATOM 0 HD11 LEU A 14 21.143 -4.660 14.220 1.00 0.00 H new ATOM 0 HD12 LEU A 14 22.076 -5.782 13.201 1.00 0.00 H new ATOM 0 HD13 LEU A 14 21.286 -6.372 14.682 1.00 0.00 H new ATOM 0 HD21 LEU A 14 22.002 -3.904 16.383 1.00 0.00 H new ATOM 0 HD22 LEU A 14 22.193 -5.574 16.969 1.00 0.00 H new ATOM 0 HD23 LEU A 14 23.581 -4.459 16.989 1.00 0.00 H new ATOM 189 N GLN A 15 26.097 -5.445 12.754 1.00 0.00 N ATOM 190 CA GLN A 15 26.622 -4.340 11.955 1.00 0.00 C ATOM 191 C GLN A 15 27.062 -4.829 10.579 1.00 0.00 C ATOM 192 O GLN A 15 26.890 -4.132 9.579 1.00 0.00 O ATOM 193 CB GLN A 15 27.803 -3.697 12.676 1.00 0.00 C ATOM 194 CG GLN A 15 28.359 -2.510 11.896 1.00 0.00 C ATOM 195 CD GLN A 15 29.833 -2.312 12.222 1.00 0.00 C ATOM 196 OE1 GLN A 15 30.297 -2.691 13.297 1.00 0.00 O ATOM 197 NE2 GLN A 15 30.571 -1.716 11.292 1.00 0.00 N ATOM 0 H GLN A 15 26.804 -5.956 13.283 1.00 0.00 H new ATOM 0 HA GLN A 15 25.830 -3.602 11.823 1.00 0.00 H new ATOM 0 HB2 GLN A 15 27.489 -3.367 13.667 1.00 0.00 H new ATOM 0 HB3 GLN A 15 28.589 -4.438 12.821 1.00 0.00 H new ATOM 0 HG2 GLN A 15 28.235 -2.678 10.826 1.00 0.00 H new ATOM 0 HG3 GLN A 15 27.800 -1.608 12.144 1.00 0.00 H new ATOM 0 HE21 GLN A 15 30.144 -1.418 10.415 1.00 0.00 H new ATOM 0 HE22 GLN A 15 31.565 -1.556 11.455 1.00 0.00 H new ATOM 206 N ALA A 16 27.633 -6.028 10.535 1.00 0.00 N ATOM 207 CA ALA A 16 28.102 -6.607 9.279 1.00 0.00 C ATOM 208 C ALA A 16 26.932 -7.029 8.391 1.00 0.00 C ATOM 209 O ALA A 16 27.133 -7.431 7.246 1.00 0.00 O ATOM 210 CB ALA A 16 28.997 -7.809 9.564 1.00 0.00 C ATOM 0 H ALA A 16 27.783 -6.618 11.353 1.00 0.00 H new ATOM 0 HA ALA A 16 28.672 -5.845 8.748 1.00 0.00 H new ATOM 0 HB1 ALA A 16 29.343 -8.236 8.623 1.00 0.00 H new ATOM 0 HB2 ALA A 16 29.855 -7.491 10.156 1.00 0.00 H new ATOM 0 HB3 ALA A 16 28.433 -8.560 10.117 1.00 0.00 H new ATOM 237 N THR A 19 26.252 -4.072 5.972 1.00 0.00 N ATOM 238 CA THR A 19 27.535 -3.579 5.488 1.00 0.00 C ATOM 239 C THR A 19 27.715 -3.929 4.016 1.00 0.00 C ATOM 240 O THR A 19 28.827 -4.189 3.556 1.00 0.00 O ATOM 241 CB THR A 19 28.673 -4.164 6.326 1.00 0.00 C ATOM 242 OG1 THR A 19 28.471 -3.851 7.694 1.00 0.00 O ATOM 243 CG2 THR A 19 30.041 -3.642 5.871 1.00 0.00 C ATOM 0 HA THR A 19 27.556 -2.494 5.586 1.00 0.00 H new ATOM 0 HB THR A 19 28.666 -5.245 6.188 1.00 0.00 H new ATOM 0 HG1 THR A 19 27.575 -4.140 7.967 1.00 0.00 H new ATOM 0 HG21 THR A 19 30.823 -4.081 6.491 1.00 0.00 H new ATOM 0 HG22 THR A 19 30.207 -3.917 4.829 1.00 0.00 H new ATOM 0 HG23 THR A 19 30.067 -2.557 5.969 1.00 0.00 H new ATOM 251 N GLU A 20 26.612 -3.920 3.275 1.00 0.00 N ATOM 252 CA GLU A 20 26.645 -4.218 1.852 1.00 0.00 C ATOM 253 C GLU A 20 26.877 -2.943 1.051 1.00 0.00 C ATOM 254 O GLU A 20 27.212 -2.991 -0.133 1.00 0.00 O ATOM 255 CB GLU A 20 25.331 -4.871 1.430 1.00 0.00 C ATOM 256 CG GLU A 20 25.548 -6.260 0.826 1.00 0.00 C ATOM 257 CD GLU A 20 26.621 -6.213 -0.257 1.00 0.00 C ATOM 258 OE1 GLU A 20 26.304 -5.800 -1.392 1.00 0.00 O ATOM 259 OE2 GLU A 20 27.776 -6.592 0.032 1.00 0.00 O ATOM 0 H GLU A 20 25.683 -3.709 3.640 1.00 0.00 H new ATOM 0 HA GLU A 20 27.466 -4.907 1.654 1.00 0.00 H new ATOM 0 HB2 GLU A 20 24.672 -4.951 2.295 1.00 0.00 H new ATOM 0 HB3 GLU A 20 24.827 -4.234 0.703 1.00 0.00 H new ATOM 0 HG2 GLU A 20 25.843 -6.960 1.608 1.00 0.00 H new ATOM 0 HG3 GLU A 20 24.613 -6.629 0.404 1.00 0.00 H new ATOM 266 N TYR A 21 26.701 -1.804 1.707 1.00 0.00 N ATOM 267 CA TYR A 21 26.891 -0.507 1.071 1.00 0.00 C ATOM 268 C TYR A 21 28.209 0.123 1.517 1.00 0.00 C ATOM 269 O TYR A 21 28.757 0.985 0.828 1.00 0.00 O ATOM 270 CB TYR A 21 25.728 0.416 1.423 1.00 0.00 C ATOM 271 CG TYR A 21 24.507 0.164 0.569 1.00 0.00 C ATOM 272 CD1 TYR A 21 24.399 0.753 -0.682 1.00 0.00 C ATOM 273 CD2 TYR A 21 23.491 -0.659 1.032 1.00 0.00 C ATOM 274 CE1 TYR A 21 23.279 0.521 -1.463 1.00 0.00 C ATOM 275 CE2 TYR A 21 22.373 -0.889 0.247 1.00 0.00 C ATOM 276 CZ TYR A 21 22.272 -0.298 -0.995 1.00 0.00 C ATOM 277 OH TYR A 21 21.158 -0.530 -1.772 1.00 0.00 O ATOM 0 H TYR A 21 26.425 -1.752 2.687 1.00 0.00 H new ATOM 0 HA TYR A 21 26.924 -0.650 -0.009 1.00 0.00 H new ATOM 0 HB2 TYR A 21 25.467 0.281 2.473 1.00 0.00 H new ATOM 0 HB3 TYR A 21 26.043 1.453 1.304 1.00 0.00 H new ATOM 0 HD1 TYR A 21 25.189 1.393 -1.047 1.00 0.00 H new ATOM 0 HD2 TYR A 21 23.572 -1.121 2.005 1.00 0.00 H new ATOM 0 HE1 TYR A 21 23.194 0.980 -2.437 1.00 0.00 H new ATOM 0 HE2 TYR A 21 21.582 -1.530 0.607 1.00 0.00 H new ATOM 0 HH TYR A 21 20.546 -1.129 -1.296 1.00 0.00 H new ATOM 287 N ILE A 22 28.715 -0.310 2.670 1.00 0.00 N ATOM 288 CA ILE A 22 29.971 0.213 3.206 1.00 0.00 C ATOM 289 C ILE A 22 31.161 -0.458 2.516 1.00 0.00 C ATOM 290 O ILE A 22 32.266 0.086 2.508 1.00 0.00 O ATOM 291 CB ILE A 22 30.025 -0.028 4.723 1.00 0.00 C ATOM 292 CG1 ILE A 22 28.890 0.752 5.465 1.00 0.00 C ATOM 293 CG2 ILE A 22 31.412 0.337 5.284 1.00 0.00 C ATOM 294 CD1 ILE A 22 29.357 2.099 6.019 1.00 0.00 C ATOM 0 H ILE A 22 28.274 -1.022 3.252 1.00 0.00 H new ATOM 0 HA ILE A 22 30.023 1.285 3.015 1.00 0.00 H new ATOM 0 HB ILE A 22 29.858 -1.091 4.900 1.00 0.00 H new ATOM 0 HG12 ILE A 22 28.060 0.916 4.778 1.00 0.00 H new ATOM 0 HG13 ILE A 22 28.511 0.140 6.283 1.00 0.00 H new ATOM 0 HG21 ILE A 22 31.428 0.159 6.359 1.00 0.00 H new ATOM 0 HG22 ILE A 22 32.172 -0.278 4.803 1.00 0.00 H new ATOM 0 HG23 ILE A 22 31.619 1.389 5.087 1.00 0.00 H new ATOM 0 HD11 ILE A 22 28.526 2.593 6.523 1.00 0.00 H new ATOM 0 HD12 ILE A 22 30.168 1.939 6.729 1.00 0.00 H new ATOM 0 HD13 ILE A 22 29.710 2.726 5.201 1.00 0.00 H new ATOM 306 N GLY A 23 30.935 -1.635 1.933 1.00 0.00 N ATOM 307 CA GLY A 23 31.995 -2.361 1.241 1.00 0.00 C ATOM 308 C GLY A 23 32.462 -1.600 0.001 1.00 0.00 C ATOM 309 O GLY A 23 33.500 -1.923 -0.575 1.00 0.00 O ATOM 0 H GLY A 23 30.029 -2.104 1.927 1.00 0.00 H new ATOM 0 HA2 GLY A 23 32.837 -2.514 1.917 1.00 0.00 H new ATOM 0 HA3 GLY A 23 31.635 -3.348 0.952 1.00 0.00 H new ATOM 313 N TYR A 24 31.701 -0.582 -0.402 1.00 0.00 N ATOM 314 CA TYR A 24 32.058 0.222 -1.567 1.00 0.00 C ATOM 315 C TYR A 24 33.253 1.098 -1.226 1.00 0.00 C ATOM 316 O TYR A 24 34.121 1.338 -2.065 1.00 0.00 O ATOM 317 CB TYR A 24 30.873 1.089 -1.993 1.00 0.00 C ATOM 318 CG TYR A 24 29.721 0.314 -2.618 1.00 0.00 C ATOM 319 CD1 TYR A 24 29.647 -1.075 -2.527 1.00 0.00 C ATOM 320 CD2 TYR A 24 28.722 1.005 -3.290 1.00 0.00 C ATOM 321 CE1 TYR A 24 28.585 -1.753 -3.103 1.00 0.00 C ATOM 322 CE2 TYR A 24 27.664 0.320 -3.863 1.00 0.00 C ATOM 323 CZ TYR A 24 27.601 -1.053 -3.768 1.00 0.00 C ATOM 324 OH TYR A 24 26.548 -1.730 -4.339 1.00 0.00 O ATOM 0 H TYR A 24 30.837 -0.297 0.060 1.00 0.00 H new ATOM 0 HA TYR A 24 32.318 -0.438 -2.395 1.00 0.00 H new ATOM 0 HB2 TYR A 24 30.502 1.629 -1.122 1.00 0.00 H new ATOM 0 HB3 TYR A 24 31.222 1.836 -2.706 1.00 0.00 H new ATOM 0 HD1 TYR A 24 30.418 -1.623 -2.007 1.00 0.00 H new ATOM 0 HD2 TYR A 24 28.770 2.081 -3.366 1.00 0.00 H new ATOM 0 HE1 TYR A 24 28.528 -2.829 -3.031 1.00 0.00 H new ATOM 0 HE2 TYR A 24 26.889 0.862 -4.384 1.00 0.00 H new ATOM 0 HH TYR A 24 25.942 -1.090 -4.768 1.00 0.00 H new ATOM 334 N ALA A 25 33.305 1.551 0.021 1.00 0.00 N ATOM 335 CA ALA A 25 34.411 2.377 0.488 1.00 0.00 C ATOM 336 C ALA A 25 35.668 1.523 0.596 1.00 0.00 C ATOM 337 O ALA A 25 36.786 2.028 0.490 1.00 0.00 O ATOM 338 CB ALA A 25 34.072 2.987 1.844 1.00 0.00 C ATOM 0 H ALA A 25 32.594 1.360 0.727 1.00 0.00 H new ATOM 0 HA ALA A 25 34.585 3.185 -0.223 1.00 0.00 H new ATOM 0 HB1 ALA A 25 34.905 3.602 2.185 1.00 0.00 H new ATOM 0 HB2 ALA A 25 33.178 3.604 1.752 1.00 0.00 H new ATOM 0 HB3 ALA A 25 33.890 2.191 2.566 1.00 0.00 H new ATOM 344 N TRP A 26 35.473 0.220 0.797 1.00 0.00 N ATOM 345 CA TRP A 26 36.581 -0.718 0.910 1.00 0.00 C ATOM 346 C TRP A 26 37.370 -0.745 -0.388 1.00 0.00 C ATOM 347 O TRP A 26 38.581 -0.973 -0.390 1.00 0.00 O ATOM 348 CB TRP A 26 36.051 -2.117 1.222 1.00 0.00 C ATOM 349 CG TRP A 26 36.333 -2.538 2.629 1.00 0.00 C ATOM 350 CD1 TRP A 26 35.411 -2.808 3.598 1.00 0.00 C ATOM 351 CD2 TRP A 26 37.626 -2.741 3.228 1.00 0.00 C ATOM 352 NE1 TRP A 26 36.065 -3.146 4.748 1.00 0.00 N ATOM 353 CE2 TRP A 26 37.414 -3.121 4.559 1.00 0.00 C ATOM 354 CE3 TRP A 26 38.940 -2.635 2.767 1.00 0.00 C ATOM 355 CZ2 TRP A 26 38.462 -3.392 5.423 1.00 0.00 C ATOM 356 CZ3 TRP A 26 39.996 -2.907 3.627 1.00 0.00 C ATOM 357 CH2 TRP A 26 39.759 -3.281 4.944 1.00 0.00 C ATOM 0 H TRP A 26 34.551 -0.208 0.885 1.00 0.00 H new ATOM 0 HA TRP A 26 37.236 -0.396 1.720 1.00 0.00 H new ATOM 0 HB2 TRP A 26 34.975 -2.141 1.048 1.00 0.00 H new ATOM 0 HB3 TRP A 26 36.501 -2.834 0.535 1.00 0.00 H new ATOM 0 HD1 TRP A 26 34.339 -2.762 3.475 1.00 0.00 H new ATOM 0 HE1 TRP A 26 35.607 -3.384 5.627 1.00 0.00 H new ATOM 0 HE3 TRP A 26 39.134 -2.343 1.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 38.274 -3.683 6.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 41.012 -2.827 3.268 1.00 0.00 H new ATOM 0 HH2 TRP A 26 40.592 -3.487 5.600 1.00 0.00 H new ATOM 368 N ALA A 27 36.674 -0.510 -1.493 1.00 0.00 N ATOM 369 CA ALA A 27 37.300 -0.504 -2.808 1.00 0.00 C ATOM 370 C ALA A 27 38.206 0.711 -2.950 1.00 0.00 C ATOM 371 O ALA A 27 39.196 0.680 -3.682 1.00 0.00 O ATOM 372 CB ALA A 27 36.226 -0.495 -3.892 1.00 0.00 C ATOM 0 H ALA A 27 35.672 -0.320 -1.504 1.00 0.00 H new ATOM 0 HA ALA A 27 37.905 -1.403 -2.920 1.00 0.00 H new ATOM 0 HB1 ALA A 27 36.700 -0.491 -4.874 1.00 0.00 H new ATOM 0 HB2 ALA A 27 35.603 -1.384 -3.794 1.00 0.00 H new ATOM 0 HB3 ALA A 27 35.607 0.396 -3.784 1.00 0.00 H new ATOM 378 N MET A 28 37.865 1.781 -2.240 1.00 0.00 N ATOM 379 CA MET A 28 38.650 3.010 -2.276 1.00 0.00 C ATOM 380 C MET A 28 39.782 2.930 -1.263 1.00 0.00 C ATOM 381 O MET A 28 40.928 3.267 -1.565 1.00 0.00 O ATOM 382 CB MET A 28 37.757 4.214 -1.957 1.00 0.00 C ATOM 383 CG MET A 28 37.415 5.045 -3.197 1.00 0.00 C ATOM 384 SD MET A 28 38.871 5.531 -4.138 1.00 0.00 S ATOM 385 CE MET A 28 38.582 7.298 -4.323 1.00 0.00 C ATOM 0 H MET A 28 37.048 1.822 -1.631 1.00 0.00 H new ATOM 0 HA MET A 28 39.069 3.132 -3.275 1.00 0.00 H new ATOM 0 HB2 MET A 28 36.834 3.864 -1.494 1.00 0.00 H new ATOM 0 HB3 MET A 28 38.259 4.849 -1.227 1.00 0.00 H new ATOM 0 HG2 MET A 28 36.748 4.471 -3.840 1.00 0.00 H new ATOM 0 HG3 MET A 28 36.872 5.939 -2.891 1.00 0.00 H new ATOM 0 HE1 MET A 28 39.401 7.744 -4.887 1.00 0.00 H new ATOM 0 HE2 MET A 28 37.645 7.460 -4.856 1.00 0.00 H new ATOM 0 HE3 MET A 28 38.524 7.762 -3.339 1.00 0.00 H new ATOM 395 N VAL A 29 39.453 2.480 -0.058 1.00 0.00 N ATOM 396 CA VAL A 29 40.432 2.348 1.008 1.00 0.00 C ATOM 397 C VAL A 29 41.623 1.522 0.535 1.00 0.00 C ATOM 398 O VAL A 29 42.773 1.849 0.829 1.00 0.00 O ATOM 399 CB VAL A 29 39.771 1.689 2.214 1.00 0.00 C ATOM 400 CG1 VAL A 29 40.787 1.449 3.322 1.00 0.00 C ATOM 401 CG2 VAL A 29 38.619 2.549 2.727 1.00 0.00 C ATOM 0 H VAL A 29 38.508 2.199 0.204 1.00 0.00 H new ATOM 0 HA VAL A 29 40.796 3.336 1.291 1.00 0.00 H new ATOM 0 HB VAL A 29 39.373 0.724 1.900 1.00 0.00 H new ATOM 0 HG11 VAL A 29 40.294 0.978 4.172 1.00 0.00 H new ATOM 0 HG12 VAL A 29 41.579 0.796 2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 29 41.217 2.401 3.634 1.00 0.00 H new ATOM 0 HG21 VAL A 29 38.158 2.064 3.588 1.00 0.00 H new ATOM 0 HG22 VAL A 29 38.999 3.527 3.022 1.00 0.00 H new ATOM 0 HG23 VAL A 29 37.876 2.670 1.938 1.00 0.00 H new ATOM 411 N VAL A 30 41.342 0.448 -0.196 1.00 0.00 N ATOM 412 CA VAL A 30 42.382 -0.428 -0.708 1.00 0.00 C ATOM 413 C VAL A 30 43.342 0.337 -1.622 1.00 0.00 C ATOM 414 O VAL A 30 44.529 0.020 -1.694 1.00 0.00 O ATOM 415 CB VAL A 30 41.734 -1.602 -1.444 1.00 0.00 C ATOM 416 CG1 VAL A 30 41.312 -1.212 -2.855 1.00 0.00 C ATOM 417 CG2 VAL A 30 42.683 -2.788 -1.475 1.00 0.00 C ATOM 0 H VAL A 30 40.395 0.165 -0.447 1.00 0.00 H new ATOM 0 HA VAL A 30 42.970 -0.813 0.125 1.00 0.00 H new ATOM 0 HB VAL A 30 40.833 -1.886 -0.900 1.00 0.00 H new ATOM 0 HG11 VAL A 30 40.856 -2.070 -3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 30 40.592 -0.395 -2.807 1.00 0.00 H new ATOM 0 HG13 VAL A 30 42.187 -0.891 -3.421 1.00 0.00 H new ATOM 0 HG21 VAL A 30 42.211 -3.618 -2.001 1.00 0.00 H new ATOM 0 HG22 VAL A 30 43.601 -2.506 -1.991 1.00 0.00 H new ATOM 0 HG23 VAL A 30 42.919 -3.092 -0.455 1.00 0.00 H new ATOM 427 N VAL A 31 42.816 1.339 -2.320 1.00 0.00 N ATOM 428 CA VAL A 31 43.615 2.143 -3.229 1.00 0.00 C ATOM 429 C VAL A 31 44.458 3.151 -2.457 1.00 0.00 C ATOM 430 O VAL A 31 45.510 3.586 -2.925 1.00 0.00 O ATOM 431 CB VAL A 31 42.693 2.855 -4.210 1.00 0.00 C ATOM 432 CG1 VAL A 31 43.480 3.789 -5.116 1.00 0.00 C ATOM 433 CG2 VAL A 31 41.919 1.838 -5.045 1.00 0.00 C ATOM 0 H VAL A 31 41.834 1.612 -2.270 1.00 0.00 H new ATOM 0 HA VAL A 31 44.295 1.493 -3.780 1.00 0.00 H new ATOM 0 HB VAL A 31 41.984 3.453 -3.636 1.00 0.00 H new ATOM 0 HG11 VAL A 31 42.799 4.285 -5.807 1.00 0.00 H new ATOM 0 HG12 VAL A 31 43.992 4.537 -4.511 1.00 0.00 H new ATOM 0 HG13 VAL A 31 44.215 3.215 -5.680 1.00 0.00 H new ATOM 0 HG21 VAL A 31 41.264 2.362 -5.741 1.00 0.00 H new ATOM 0 HG22 VAL A 31 42.620 1.217 -5.603 1.00 0.00 H new ATOM 0 HG23 VAL A 31 41.320 1.208 -4.388 1.00 0.00 H new ATOM 443 N ILE A 32 43.990 3.512 -1.272 1.00 0.00 N ATOM 444 CA ILE A 32 44.700 4.465 -0.424 1.00 0.00 C ATOM 445 C ILE A 32 45.705 3.732 0.456 1.00 0.00 C ATOM 446 O ILE A 32 46.807 4.223 0.701 1.00 0.00 O ATOM 447 CB ILE A 32 43.705 5.243 0.432 1.00 0.00 C ATOM 448 CG1 ILE A 32 42.750 6.035 -0.461 1.00 0.00 C ATOM 449 CG2 ILE A 32 44.433 6.181 1.394 1.00 0.00 C ATOM 450 CD1 ILE A 32 41.582 6.604 0.339 1.00 0.00 C ATOM 0 H ILE A 32 43.120 3.160 -0.873 1.00 0.00 H new ATOM 0 HA ILE A 32 45.241 5.170 -1.054 1.00 0.00 H new ATOM 0 HB ILE A 32 43.128 4.531 1.022 1.00 0.00 H new ATOM 0 HG12 ILE A 32 43.292 6.848 -0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 32 42.370 5.389 -1.253 1.00 0.00 H new ATOM 0 HG21 ILE A 32 43.703 6.725 1.994 1.00 0.00 H new ATOM 0 HG22 ILE A 32 45.080 5.599 2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 32 45.036 6.889 0.825 1.00 0.00 H new ATOM 0 HD11 ILE A 32 40.922 7.161 -0.326 1.00 0.00 H new ATOM 0 HD12 ILE A 32 41.026 5.788 0.801 1.00 0.00 H new ATOM 0 HD13 ILE A 32 41.962 7.269 1.114 1.00 0.00 H new ATOM 462 N VAL A 33 45.323 2.545 0.917 1.00 0.00 N ATOM 463 CA VAL A 33 46.181 1.729 1.753 1.00 0.00 C ATOM 464 C VAL A 33 47.144 0.940 0.865 1.00 0.00 C ATOM 465 O VAL A 33 48.243 0.584 1.288 1.00 0.00 O ATOM 466 CB VAL A 33 45.300 0.800 2.598 1.00 0.00 C ATOM 467 CG1 VAL A 33 46.078 -0.404 3.112 1.00 0.00 C ATOM 468 CG2 VAL A 33 44.685 1.570 3.762 1.00 0.00 C ATOM 0 H VAL A 33 44.413 2.128 0.720 1.00 0.00 H new ATOM 0 HA VAL A 33 46.775 2.348 2.425 1.00 0.00 H new ATOM 0 HB VAL A 33 44.503 0.426 1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 33 45.418 -1.037 3.706 1.00 0.00 H new ATOM 0 HG12 VAL A 33 46.465 -0.974 2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 33 46.908 -0.064 3.731 1.00 0.00 H new ATOM 0 HG21 VAL A 33 44.062 0.899 4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 33 45.478 1.976 4.389 1.00 0.00 H new ATOM 0 HG23 VAL A 33 44.074 2.386 3.376 1.00 0.00 H new ATOM 478 N GLY A 34 46.725 0.681 -0.370 1.00 0.00 N ATOM 479 CA GLY A 34 47.555 -0.051 -1.318 1.00 0.00 C ATOM 480 C GLY A 34 48.732 0.808 -1.753 1.00 0.00 C ATOM 481 O GLY A 34 49.852 0.319 -1.896 1.00 0.00 O ATOM 0 H GLY A 34 45.817 0.967 -0.736 1.00 0.00 H new ATOM 0 HA2 GLY A 34 47.916 -0.972 -0.861 1.00 0.00 H new ATOM 0 HA3 GLY A 34 46.962 -0.337 -2.187 1.00 0.00 H new ATOM 485 N ALA A 35 48.473 2.099 -1.948 1.00 0.00 N ATOM 486 CA ALA A 35 49.515 3.036 -2.351 1.00 0.00 C ATOM 487 C ALA A 35 50.683 2.939 -1.381 1.00 0.00 C ATOM 488 O ALA A 35 51.841 3.110 -1.762 1.00 0.00 O ATOM 489 CB ALA A 35 48.965 4.458 -2.362 1.00 0.00 C ATOM 0 H ALA A 35 47.550 2.519 -1.833 1.00 0.00 H new ATOM 0 HA ALA A 35 49.856 2.785 -3.356 1.00 0.00 H new ATOM 0 HB1 ALA A 35 49.751 5.150 -2.664 1.00 0.00 H new ATOM 0 HB2 ALA A 35 48.135 4.522 -3.066 1.00 0.00 H new ATOM 0 HB3 ALA A 35 48.615 4.720 -1.364 1.00 0.00 H new ATOM 495 N THR A 36 50.363 2.646 -0.125 1.00 0.00 N ATOM 496 CA THR A 36 51.373 2.503 0.914 1.00 0.00 C ATOM 497 C THR A 36 52.219 1.269 0.625 1.00 0.00 C ATOM 498 O THR A 36 53.449 1.328 0.650 1.00 0.00 O ATOM 499 CB THR A 36 50.690 2.398 2.284 1.00 0.00 C ATOM 500 OG1 THR A 36 50.167 3.663 2.656 1.00 0.00 O ATOM 501 CG2 THR A 36 51.659 1.903 3.361 1.00 0.00 C ATOM 0 H THR A 36 49.406 2.502 0.198 1.00 0.00 H new ATOM 0 HA THR A 36 52.026 3.376 0.926 1.00 0.00 H new ATOM 0 HB THR A 36 49.881 1.672 2.201 1.00 0.00 H new ATOM 0 HG1 THR A 36 49.730 3.592 3.530 1.00 0.00 H new ATOM 0 HG21 THR A 36 51.140 1.841 4.317 1.00 0.00 H new ATOM 0 HG22 THR A 36 52.034 0.917 3.088 1.00 0.00 H new ATOM 0 HG23 THR A 36 52.494 2.598 3.446 1.00 0.00 H new ATOM 509 N ILE A 37 51.554 0.154 0.336 1.00 0.00 N ATOM 510 CA ILE A 37 52.251 -1.086 0.026 1.00 0.00 C ATOM 511 C ILE A 37 53.218 -0.849 -1.126 1.00 0.00 C ATOM 512 O ILE A 37 54.275 -1.473 -1.206 1.00 0.00 O ATOM 513 CB ILE A 37 51.248 -2.177 -0.342 1.00 0.00 C ATOM 514 CG1 ILE A 37 50.304 -2.447 0.825 1.00 0.00 C ATOM 515 CG2 ILE A 37 51.968 -3.457 -0.751 1.00 0.00 C ATOM 516 CD1 ILE A 37 49.339 -3.586 0.506 1.00 0.00 C ATOM 0 H ILE A 37 50.537 0.086 0.311 1.00 0.00 H new ATOM 0 HA ILE A 37 52.810 -1.413 0.903 1.00 0.00 H new ATOM 0 HB ILE A 37 50.661 -1.829 -1.192 1.00 0.00 H new ATOM 0 HG12 ILE A 37 50.883 -2.697 1.714 1.00 0.00 H new ATOM 0 HG13 ILE A 37 49.740 -1.543 1.056 1.00 0.00 H new ATOM 0 HG21 ILE A 37 51.234 -4.221 -1.009 1.00 0.00 H new ATOM 0 HG22 ILE A 37 52.603 -3.257 -1.614 1.00 0.00 H new ATOM 0 HG23 ILE A 37 52.582 -3.809 0.077 1.00 0.00 H new ATOM 0 HD11 ILE A 37 48.680 -3.754 1.358 1.00 0.00 H new ATOM 0 HD12 ILE A 37 48.743 -3.324 -0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 37 49.904 -4.495 0.300 1.00 0.00 H new ATOM 528 N GLY A 38 52.850 0.076 -2.009 1.00 0.00 N ATOM 529 CA GLY A 38 53.684 0.423 -3.154 1.00 0.00 C ATOM 530 C GLY A 38 54.951 1.131 -2.699 1.00 0.00 C ATOM 531 O GLY A 38 55.948 1.165 -3.419 1.00 0.00 O ATOM 0 H GLY A 38 51.977 0.600 -1.952 1.00 0.00 H new ATOM 0 HA2 GLY A 38 53.944 -0.479 -3.708 1.00 0.00 H new ATOM 0 HA3 GLY A 38 53.126 1.066 -3.835 1.00 0.00 H new ATOM 535 N ILE A 39 54.910 1.687 -1.491 1.00 0.00 N ATOM 536 CA ILE A 39 56.061 2.382 -0.934 1.00 0.00 C ATOM 537 C ILE A 39 56.898 1.397 -0.143 1.00 0.00 C ATOM 538 O ILE A 39 58.122 1.349 -0.276 1.00 0.00 O ATOM 539 CB ILE A 39 55.621 3.534 -0.029 1.00 0.00 C ATOM 540 CG1 ILE A 39 54.324 4.186 -0.508 1.00 0.00 C ATOM 541 CG2 ILE A 39 56.711 4.584 0.059 1.00 0.00 C ATOM 542 CD1 ILE A 39 54.353 4.546 -1.993 1.00 0.00 C ATOM 0 H ILE A 39 54.092 1.668 -0.882 1.00 0.00 H new ATOM 0 HA ILE A 39 56.649 2.800 -1.751 1.00 0.00 H new ATOM 0 HB ILE A 39 55.437 3.108 0.957 1.00 0.00 H new ATOM 0 HG12 ILE A 39 53.491 3.508 -0.320 1.00 0.00 H new ATOM 0 HG13 ILE A 39 54.139 5.088 0.076 1.00 0.00 H new ATOM 0 HG21 ILE A 39 56.382 5.397 0.707 1.00 0.00 H new ATOM 0 HG22 ILE A 39 57.616 4.136 0.470 1.00 0.00 H new ATOM 0 HG23 ILE A 39 56.920 4.975 -0.937 1.00 0.00 H new ATOM 0 HD11 ILE A 39 53.405 5.005 -2.275 1.00 0.00 H new ATOM 0 HD12 ILE A 39 55.166 5.247 -2.182 1.00 0.00 H new ATOM 0 HD13 ILE A 39 54.508 3.643 -2.583 1.00 0.00 H new ATOM 554 N LYS A 40 56.221 0.598 0.669 1.00 0.00 N ATOM 555 CA LYS A 40 56.886 -0.414 1.478 1.00 0.00 C ATOM 556 C LYS A 40 57.680 -1.345 0.574 1.00 0.00 C ATOM 557 O LYS A 40 58.845 -1.639 0.839 1.00 0.00 O ATOM 558 CB LYS A 40 55.854 -1.208 2.275 1.00 0.00 C ATOM 559 CG LYS A 40 56.171 -1.230 3.772 1.00 0.00 C ATOM 560 CD LYS A 40 55.475 -0.092 4.533 1.00 0.00 C ATOM 561 CE LYS A 40 55.874 1.304 4.033 1.00 0.00 C ATOM 562 NZ LYS A 40 54.850 2.319 4.411 1.00 0.00 N ATOM 0 H LYS A 40 55.208 0.631 0.785 1.00 0.00 H new ATOM 0 HA LYS A 40 57.566 0.073 2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 40 54.866 -0.774 2.121 1.00 0.00 H new ATOM 0 HB3 LYS A 40 55.815 -2.230 1.899 1.00 0.00 H new ATOM 0 HG2 LYS A 40 55.862 -2.187 4.192 1.00 0.00 H new ATOM 0 HG3 LYS A 40 57.249 -1.153 3.914 1.00 0.00 H new ATOM 0 HD2 LYS A 40 54.395 -0.209 4.440 1.00 0.00 H new ATOM 0 HD3 LYS A 40 55.715 -0.173 5.593 1.00 0.00 H new ATOM 0 HE2 LYS A 40 56.840 1.583 4.454 1.00 0.00 H new ATOM 0 HE3 LYS A 40 55.991 1.286 2.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 54.589 2.877 3.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 54.006 1.839 4.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 55.239 2.950 5.140 1.00 0.00 H new ATOM 576 N LEU A 41 57.047 -1.794 -0.506 1.00 0.00 N ATOM 577 CA LEU A 41 57.701 -2.678 -1.461 1.00 0.00 C ATOM 578 C LEU A 41 58.982 -2.027 -1.965 1.00 0.00 C ATOM 579 O LEU A 41 59.985 -2.700 -2.198 1.00 0.00 O ATOM 580 CB LEU A 41 56.766 -2.967 -2.633 1.00 0.00 C ATOM 581 CG LEU A 41 55.817 -4.126 -2.316 1.00 0.00 C ATOM 582 CD1 LEU A 41 54.630 -4.118 -3.275 1.00 0.00 C ATOM 583 CD2 LEU A 41 56.542 -5.472 -2.376 1.00 0.00 C ATOM 0 H LEU A 41 56.082 -1.559 -0.740 1.00 0.00 H new ATOM 0 HA LEU A 41 57.946 -3.619 -0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 41 56.187 -2.074 -2.867 1.00 0.00 H new ATOM 0 HB3 LEU A 41 57.354 -3.207 -3.519 1.00 0.00 H new ATOM 0 HG LEU A 41 55.450 -3.989 -1.299 1.00 0.00 H new ATOM 0 HD11 LEU A 41 53.964 -4.948 -3.037 1.00 0.00 H new ATOM 0 HD12 LEU A 41 54.088 -3.178 -3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 41 54.989 -4.223 -4.299 1.00 0.00 H new ATOM 0 HD21 LEU A 41 55.840 -6.274 -2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 41 56.949 -5.622 -3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 41 57.354 -5.481 -1.649 1.00 0.00 H new ATOM 595 N PHE A 42 58.939 -0.706 -2.120 1.00 0.00 N ATOM 596 CA PHE A 42 60.094 0.055 -2.586 1.00 0.00 C ATOM 597 C PHE A 42 61.194 0.019 -1.536 1.00 0.00 C ATOM 598 O PHE A 42 62.345 -0.294 -1.835 1.00 0.00 O ATOM 599 CB PHE A 42 59.685 1.500 -2.859 1.00 0.00 C ATOM 600 CG PHE A 42 60.555 2.179 -3.890 1.00 0.00 C ATOM 601 CD1 PHE A 42 61.936 2.114 -3.788 1.00 0.00 C ATOM 602 CD2 PHE A 42 59.972 2.870 -4.938 1.00 0.00 C ATOM 603 CE1 PHE A 42 62.730 2.741 -4.733 1.00 0.00 C ATOM 604 CE2 PHE A 42 60.767 3.497 -5.884 1.00 0.00 C ATOM 605 CZ PHE A 42 62.147 3.431 -5.781 1.00 0.00 C ATOM 0 H PHE A 42 58.113 -0.139 -1.929 1.00 0.00 H new ATOM 0 HA PHE A 42 60.467 -0.391 -3.508 1.00 0.00 H new ATOM 0 HB2 PHE A 42 58.649 1.520 -3.197 1.00 0.00 H new ATOM 0 HB3 PHE A 42 59.727 2.065 -1.928 1.00 0.00 H new ATOM 0 HD1 PHE A 42 62.392 1.574 -2.971 1.00 0.00 H new ATOM 0 HD2 PHE A 42 58.896 2.921 -5.019 1.00 0.00 H new ATOM 0 HE1 PHE A 42 63.806 2.691 -4.652 1.00 0.00 H new ATOM 0 HE2 PHE A 42 60.311 4.037 -6.701 1.00 0.00 H new ATOM 0 HZ PHE A 42 62.768 3.918 -6.519 1.00 0.00 H new ATOM 615 N LYS A 43 60.831 0.342 -0.303 1.00 0.00 N ATOM 616 CA LYS A 43 61.778 0.351 0.802 1.00 0.00 C ATOM 617 C LYS A 43 62.360 -1.040 1.046 1.00 0.00 C ATOM 618 O LYS A 43 63.364 -1.183 1.744 1.00 0.00 O ATOM 619 CB LYS A 43 61.072 0.855 2.044 1.00 0.00 C ATOM 620 CG LYS A 43 60.743 2.335 1.872 1.00 0.00 C ATOM 621 CD LYS A 43 61.555 3.224 2.836 1.00 0.00 C ATOM 622 CE LYS A 43 61.426 4.722 2.521 1.00 0.00 C ATOM 623 NZ LYS A 43 60.882 4.964 1.152 1.00 0.00 N ATOM 0 H LYS A 43 59.880 0.603 -0.042 1.00 0.00 H new ATOM 0 HA LYS A 43 62.609 1.011 0.553 1.00 0.00 H new ATOM 0 HB2 LYS A 43 60.159 0.285 2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 43 61.705 0.711 2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 43 60.947 2.635 0.844 1.00 0.00 H new ATOM 0 HG3 LYS A 43 59.678 2.492 2.044 1.00 0.00 H new ATOM 0 HD2 LYS A 43 61.221 3.043 3.858 1.00 0.00 H new ATOM 0 HD3 LYS A 43 62.606 2.937 2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 43 60.774 5.192 3.258 1.00 0.00 H new ATOM 0 HE3 LYS A 43 62.403 5.196 2.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 60.844 5.987 0.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 61.498 4.510 0.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 59.924 4.564 1.083 1.00 0.00 H new ATOM 637 N LYS A 44 61.727 -2.066 0.475 1.00 0.00 N ATOM 638 CA LYS A 44 62.191 -3.438 0.645 1.00 0.00 C ATOM 639 C LYS A 44 62.874 -3.932 -0.631 1.00 0.00 C ATOM 640 O LYS A 44 64.048 -4.302 -0.605 1.00 0.00 O ATOM 641 CB LYS A 44 61.002 -4.342 0.992 1.00 0.00 C ATOM 642 CG LYS A 44 61.233 -5.201 2.244 1.00 0.00 C ATOM 643 CD LYS A 44 62.212 -6.359 1.955 1.00 0.00 C ATOM 644 CE LYS A 44 61.671 -7.721 2.435 1.00 0.00 C ATOM 645 NZ LYS A 44 60.196 -7.826 2.247 1.00 0.00 N ATOM 0 H LYS A 44 60.895 -1.971 -0.107 1.00 0.00 H new ATOM 0 HA LYS A 44 62.917 -3.470 1.458 1.00 0.00 H new ATOM 0 HB2 LYS A 44 60.117 -3.724 1.143 1.00 0.00 H new ATOM 0 HB3 LYS A 44 60.793 -4.996 0.145 1.00 0.00 H new ATOM 0 HG2 LYS A 44 61.629 -4.579 3.047 1.00 0.00 H new ATOM 0 HG3 LYS A 44 60.282 -5.604 2.592 1.00 0.00 H new ATOM 0 HD2 LYS A 44 62.408 -6.406 0.884 1.00 0.00 H new ATOM 0 HD3 LYS A 44 63.164 -6.157 2.445 1.00 0.00 H new ATOM 0 HE2 LYS A 44 62.166 -8.523 1.887 1.00 0.00 H new ATOM 0 HE3 LYS A 44 61.914 -7.858 3.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 59.935 -8.822 2.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 59.712 -7.463 3.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 59.911 -7.267 1.418 1.00 0.00 H new ATOM 659 N PHE A 45 62.142 -3.940 -1.746 1.00 0.00 N ATOM 660 CA PHE A 45 62.693 -4.391 -3.018 1.00 0.00 C ATOM 661 C PHE A 45 63.453 -3.269 -3.703 1.00 0.00 C ATOM 662 O PHE A 45 64.447 -3.510 -4.384 1.00 0.00 O ATOM 663 CB PHE A 45 61.583 -4.867 -3.950 1.00 0.00 C ATOM 664 CG PHE A 45 61.339 -6.369 -3.874 1.00 0.00 C ATOM 665 CD1 PHE A 45 62.281 -7.252 -4.401 1.00 0.00 C ATOM 666 CD2 PHE A 45 60.182 -6.877 -3.283 1.00 0.00 C ATOM 667 CE1 PHE A 45 62.066 -8.618 -4.334 1.00 0.00 C ATOM 668 CE2 PHE A 45 59.976 -8.246 -3.223 1.00 0.00 C ATOM 669 CZ PHE A 45 60.918 -9.114 -3.746 1.00 0.00 C ATOM 0 H PHE A 45 61.168 -3.639 -1.791 1.00 0.00 H new ATOM 0 HA PHE A 45 63.372 -5.217 -2.805 1.00 0.00 H new ATOM 0 HB2 PHE A 45 60.660 -4.342 -3.703 1.00 0.00 H new ATOM 0 HB3 PHE A 45 61.838 -4.598 -4.975 1.00 0.00 H new ATOM 0 HD1 PHE A 45 63.180 -6.870 -4.862 1.00 0.00 H new ATOM 0 HD2 PHE A 45 59.446 -6.202 -2.872 1.00 0.00 H new ATOM 0 HE1 PHE A 45 62.798 -9.299 -4.743 1.00 0.00 H new ATOM 0 HE2 PHE A 45 59.078 -8.636 -2.767 1.00 0.00 H new ATOM 0 HZ PHE A 45 60.756 -10.181 -3.695 1.00 0.00 H new