USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 602 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 10 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 12 ASN : amide:sc= 0.143 X(o=0.45,f=0.2) USER MOD Set 1.3: A 51 GLN : amide:sc= 0.305 X(o=0.45,f=0.2) USER MOD Set 2.1: A 26 SER OG : rot 68:sc= 1.28 USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0.266 X(o=0.27,f=-0.18) USER MOD Single : A 7 GLN : amide:sc= 0.869 K(o=0.87,f=-0.3) USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.0888 USER MOD Single : A 13 ASN : amide:sc= 1.03 K(o=1,f=-0.91) USER MOD Single : A 15 ASN : amide:sc= 0.72 K(o=0.72,f=-5.8!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0283 USER MOD Single : A 33 GLN : amide:sc= 1.07 K(o=1.1,f=-0.23) USER MOD Single : A 36 GLN : amide:sc= 0.886 K(o=0.89,f=-0.2) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 82:sc= 1.11 USER MOD Single : A 64 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 68 THR OG1 : rot 84:sc= 2.05 USER MOD Single : A 69 MET CE :methyl 170:sc= -0.552 (180deg=-0.957) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -167:sc= -0.0349 (180deg=-0.611) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N PRO A 5 8.610 -21.837 -4.384 1.00 0.00 N ATOM 72 CA PRO A 5 9.822 -22.085 -5.153 1.00 0.00 C ATOM 73 C PRO A 5 9.590 -22.206 -6.659 1.00 0.00 C ATOM 74 O PRO A 5 8.715 -22.942 -7.129 1.00 0.00 O ATOM 75 CB PRO A 5 10.441 -23.350 -4.558 1.00 0.00 C ATOM 76 CG PRO A 5 10.040 -23.234 -3.093 1.00 0.00 C ATOM 77 CD PRO A 5 8.628 -22.655 -3.177 1.00 0.00 C ATOM 0 HA PRO A 5 10.494 -21.230 -5.074 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.046 -24.255 -5.020 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.523 -23.374 -4.685 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.052 -24.202 -2.592 1.00 0.00 H new ATOM 0 HG3 PRO A 5 10.714 -22.580 -2.539 1.00 0.00 H new ATOM 0 HD2 PRO A 5 7.882 -23.448 -3.230 1.00 0.00 H new ATOM 0 HD3 PRO A 5 8.396 -22.058 -2.295 1.00 0.00 H new ATOM 85 N ASN A 6 10.428 -21.495 -7.405 1.00 0.00 N ATOM 86 CA ASN A 6 10.594 -21.557 -8.848 1.00 0.00 C ATOM 87 C ASN A 6 11.978 -20.974 -9.128 1.00 0.00 C ATOM 88 O ASN A 6 12.444 -20.155 -8.337 1.00 0.00 O ATOM 89 CB ASN A 6 9.530 -20.696 -9.541 1.00 0.00 C ATOM 90 CG ASN A 6 9.660 -20.793 -11.055 1.00 0.00 C ATOM 91 OD1 ASN A 6 9.721 -21.884 -11.609 1.00 0.00 O ATOM 92 ND2 ASN A 6 9.746 -19.678 -11.752 1.00 0.00 N ATOM 0 H ASN A 6 11.055 -20.810 -6.983 1.00 0.00 H new ATOM 0 HA ASN A 6 10.492 -22.577 -9.218 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.536 -21.022 -9.235 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.635 -19.657 -9.228 1.00 0.00 H new ATOM 0 HD21 ASN A 6 9.865 -19.717 -12.764 1.00 0.00 H new ATOM 0 HD22 ASN A 6 9.694 -18.776 -11.279 1.00 0.00 H new ATOM 99 N GLN A 7 12.647 -21.347 -10.220 1.00 0.00 N ATOM 100 CA GLN A 7 13.998 -20.840 -10.495 1.00 0.00 C ATOM 101 C GLN A 7 13.991 -19.345 -10.870 1.00 0.00 C ATOM 102 O GLN A 7 15.046 -18.707 -10.876 1.00 0.00 O ATOM 103 CB GLN A 7 14.663 -21.715 -11.575 1.00 0.00 C ATOM 104 CG GLN A 7 16.186 -21.506 -11.626 1.00 0.00 C ATOM 105 CD GLN A 7 16.934 -22.457 -12.562 1.00 0.00 C ATOM 106 OE1 GLN A 7 16.373 -23.348 -13.197 1.00 0.00 O ATOM 107 NE2 GLN A 7 18.239 -22.277 -12.660 1.00 0.00 N ATOM 0 H GLN A 7 12.283 -21.991 -10.923 1.00 0.00 H new ATOM 0 HA GLN A 7 14.591 -20.909 -9.583 1.00 0.00 H new ATOM 0 HB2 GLN A 7 14.447 -22.765 -11.375 1.00 0.00 H new ATOM 0 HB3 GLN A 7 14.232 -21.481 -12.548 1.00 0.00 H new ATOM 0 HG2 GLN A 7 16.387 -20.481 -11.936 1.00 0.00 H new ATOM 0 HG3 GLN A 7 16.588 -21.619 -10.619 1.00 0.00 H new ATOM 0 HE21 GLN A 7 18.693 -21.534 -12.128 1.00 0.00 H new ATOM 0 HE22 GLN A 7 18.793 -22.881 -13.268 1.00 0.00 H new ATOM 116 N THR A 8 12.817 -18.776 -11.144 1.00 0.00 N ATOM 117 CA THR A 8 12.657 -17.451 -11.714 1.00 0.00 C ATOM 118 C THR A 8 11.598 -16.694 -10.914 1.00 0.00 C ATOM 119 O THR A 8 10.624 -17.282 -10.421 1.00 0.00 O ATOM 120 CB THR A 8 12.280 -17.623 -13.196 1.00 0.00 C ATOM 121 OG1 THR A 8 13.204 -18.490 -13.830 1.00 0.00 O ATOM 122 CG2 THR A 8 12.195 -16.299 -13.967 1.00 0.00 C ATOM 0 H THR A 8 11.928 -19.244 -10.968 1.00 0.00 H new ATOM 0 HA THR A 8 13.574 -16.864 -11.662 1.00 0.00 H new ATOM 0 HB THR A 8 11.279 -18.054 -13.212 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.958 -18.597 -14.773 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.925 -16.499 -15.004 1.00 0.00 H new ATOM 0 HG22 THR A 8 11.438 -15.661 -13.511 1.00 0.00 H new ATOM 0 HG23 THR A 8 13.161 -15.796 -13.934 1.00 0.00 H new ATOM 130 N ILE A 9 11.786 -15.381 -10.794 1.00 0.00 N ATOM 131 CA ILE A 9 10.905 -14.475 -10.068 1.00 0.00 C ATOM 132 C ILE A 9 10.527 -13.328 -11.011 1.00 0.00 C ATOM 133 O ILE A 9 11.120 -13.163 -12.082 1.00 0.00 O ATOM 134 CB ILE A 9 11.536 -14.023 -8.718 1.00 0.00 C ATOM 135 CG1 ILE A 9 12.492 -12.825 -8.894 1.00 0.00 C ATOM 136 CG2 ILE A 9 12.215 -15.207 -7.997 1.00 0.00 C ATOM 137 CD1 ILE A 9 13.260 -12.408 -7.629 1.00 0.00 C ATOM 0 H ILE A 9 12.584 -14.905 -11.215 1.00 0.00 H new ATOM 0 HA ILE A 9 9.985 -14.978 -9.771 1.00 0.00 H new ATOM 0 HB ILE A 9 10.724 -13.674 -8.080 1.00 0.00 H new ATOM 0 HG12 ILE A 9 13.214 -13.068 -9.674 1.00 0.00 H new ATOM 0 HG13 ILE A 9 11.916 -11.970 -9.248 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.647 -14.862 -7.058 1.00 0.00 H new ATOM 0 HG22 ILE A 9 11.476 -15.982 -7.794 1.00 0.00 H new ATOM 0 HG23 ILE A 9 13.003 -15.615 -8.630 1.00 0.00 H new ATOM 0 HD11 ILE A 9 13.904 -11.559 -7.858 1.00 0.00 H new ATOM 0 HD12 ILE A 9 12.552 -12.127 -6.849 1.00 0.00 H new ATOM 0 HD13 ILE A 9 13.870 -13.242 -7.282 1.00 0.00 H new ATOM 149 N TYR A 10 9.547 -12.537 -10.596 1.00 0.00 N ATOM 150 CA TYR A 10 8.901 -11.492 -11.365 1.00 0.00 C ATOM 151 C TYR A 10 8.800 -10.289 -10.439 1.00 0.00 C ATOM 152 O TYR A 10 8.157 -10.355 -9.392 1.00 0.00 O ATOM 153 CB TYR A 10 7.527 -12.005 -11.812 1.00 0.00 C ATOM 154 CG TYR A 10 6.649 -11.011 -12.548 1.00 0.00 C ATOM 155 CD1 TYR A 10 7.099 -10.405 -13.737 1.00 0.00 C ATOM 156 CD2 TYR A 10 5.341 -10.763 -12.089 1.00 0.00 C ATOM 157 CE1 TYR A 10 6.223 -9.622 -14.507 1.00 0.00 C ATOM 158 CE2 TYR A 10 4.461 -9.973 -12.849 1.00 0.00 C ATOM 159 CZ TYR A 10 4.888 -9.434 -14.084 1.00 0.00 C ATOM 160 OH TYR A 10 4.021 -8.741 -14.872 1.00 0.00 O ATOM 0 H TYR A 10 9.161 -12.616 -9.655 1.00 0.00 H new ATOM 0 HA TYR A 10 9.449 -11.211 -12.264 1.00 0.00 H new ATOM 0 HB2 TYR A 10 7.678 -12.872 -12.456 1.00 0.00 H new ATOM 0 HB3 TYR A 10 6.987 -12.352 -10.931 1.00 0.00 H new ATOM 0 HD1 TYR A 10 8.121 -10.543 -14.058 1.00 0.00 H new ATOM 0 HD2 TYR A 10 5.013 -11.182 -11.149 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.570 -9.164 -15.422 1.00 0.00 H new ATOM 0 HE2 TYR A 10 3.461 -9.778 -12.490 1.00 0.00 H new ATOM 0 HH TYR A 10 3.143 -8.702 -14.438 1.00 0.00 H new ATOM 170 N ILE A 11 9.499 -9.218 -10.797 1.00 0.00 N ATOM 171 CA ILE A 11 9.572 -7.967 -10.056 1.00 0.00 C ATOM 172 C ILE A 11 8.579 -7.044 -10.761 1.00 0.00 C ATOM 173 O ILE A 11 8.525 -7.044 -11.993 1.00 0.00 O ATOM 174 CB ILE A 11 11.034 -7.459 -10.089 1.00 0.00 C ATOM 175 CG1 ILE A 11 11.972 -8.448 -9.350 1.00 0.00 C ATOM 176 CG2 ILE A 11 11.157 -6.057 -9.471 1.00 0.00 C ATOM 177 CD1 ILE A 11 13.465 -8.226 -9.599 1.00 0.00 C ATOM 0 H ILE A 11 10.056 -9.199 -11.652 1.00 0.00 H new ATOM 0 HA ILE A 11 9.312 -8.045 -9.000 1.00 0.00 H new ATOM 0 HB ILE A 11 11.335 -7.396 -11.135 1.00 0.00 H new ATOM 0 HG12 ILE A 11 11.782 -8.375 -8.279 1.00 0.00 H new ATOM 0 HG13 ILE A 11 11.715 -9.464 -9.651 1.00 0.00 H new ATOM 0 HG21 ILE A 11 12.197 -5.732 -9.511 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.536 -5.357 -10.030 1.00 0.00 H new ATOM 0 HG23 ILE A 11 10.826 -6.087 -8.433 1.00 0.00 H new ATOM 0 HD11 ILE A 11 14.041 -8.965 -9.041 1.00 0.00 H new ATOM 0 HD12 ILE A 11 13.676 -8.330 -10.663 1.00 0.00 H new ATOM 0 HD13 ILE A 11 13.744 -7.225 -9.270 1.00 0.00 H new ATOM 189 N ASN A 12 7.797 -6.260 -10.011 1.00 0.00 N ATOM 190 CA ASN A 12 6.668 -5.517 -10.574 1.00 0.00 C ATOM 191 C ASN A 12 6.497 -4.092 -10.034 1.00 0.00 C ATOM 192 O ASN A 12 5.439 -3.495 -10.235 1.00 0.00 O ATOM 193 CB ASN A 12 5.380 -6.349 -10.397 1.00 0.00 C ATOM 194 CG ASN A 12 4.409 -6.073 -11.541 1.00 0.00 C ATOM 195 OD1 ASN A 12 3.371 -5.436 -11.385 1.00 0.00 O ATOM 196 ND2 ASN A 12 4.752 -6.558 -12.722 1.00 0.00 N ATOM 0 H ASN A 12 7.927 -6.124 -9.009 1.00 0.00 H new ATOM 0 HA ASN A 12 6.885 -5.371 -11.632 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.626 -7.410 -10.368 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.909 -6.105 -9.445 1.00 0.00 H new ATOM 0 HD21 ASN A 12 4.149 -6.406 -13.530 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.620 -7.084 -12.825 1.00 0.00 H new ATOM 203 N ASN A 13 7.499 -3.526 -9.347 1.00 0.00 N ATOM 204 CA ASN A 13 7.461 -2.126 -8.915 1.00 0.00 C ATOM 205 C ASN A 13 8.849 -1.478 -8.942 1.00 0.00 C ATOM 206 O ASN A 13 9.263 -0.823 -7.983 1.00 0.00 O ATOM 207 CB ASN A 13 6.762 -1.969 -7.551 1.00 0.00 C ATOM 208 CG ASN A 13 6.393 -0.509 -7.276 1.00 0.00 C ATOM 209 OD1 ASN A 13 5.957 0.216 -8.166 1.00 0.00 O ATOM 210 ND2 ASN A 13 6.513 -0.050 -6.041 1.00 0.00 N ATOM 0 H ASN A 13 8.349 -4.021 -9.078 1.00 0.00 H new ATOM 0 HA ASN A 13 6.856 -1.581 -9.640 1.00 0.00 H new ATOM 0 HB2 ASN A 13 5.862 -2.583 -7.529 1.00 0.00 H new ATOM 0 HB3 ASN A 13 7.417 -2.335 -6.761 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.243 0.910 -5.825 1.00 0.00 H new ATOM 0 HD22 ASN A 13 6.876 -0.656 -5.305 1.00 0.00 H new ATOM 217 N LEU A 14 9.601 -1.714 -10.022 1.00 0.00 N ATOM 218 CA LEU A 14 10.843 -0.985 -10.275 1.00 0.00 C ATOM 219 C LEU A 14 10.505 0.489 -10.483 1.00 0.00 C ATOM 220 O LEU A 14 9.442 0.821 -11.013 1.00 0.00 O ATOM 221 CB LEU A 14 11.560 -1.538 -11.522 1.00 0.00 C ATOM 222 CG LEU A 14 12.358 -2.823 -11.245 1.00 0.00 C ATOM 223 CD1 LEU A 14 12.492 -3.658 -12.521 1.00 0.00 C ATOM 224 CD2 LEU A 14 13.733 -2.492 -10.672 1.00 0.00 C ATOM 0 H LEU A 14 9.369 -2.406 -10.735 1.00 0.00 H new ATOM 0 HA LEU A 14 11.511 -1.104 -9.422 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.822 -1.737 -12.299 1.00 0.00 H new ATOM 0 HB3 LEU A 14 12.235 -0.776 -11.912 1.00 0.00 H new ATOM 0 HG LEU A 14 11.814 -3.411 -10.506 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.060 -4.563 -12.305 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.501 -3.929 -12.884 1.00 0.00 H new ATOM 0 HD13 LEU A 14 13.011 -3.077 -13.283 1.00 0.00 H new ATOM 0 HD21 LEU A 14 14.281 -3.415 -10.483 1.00 0.00 H new ATOM 0 HD22 LEU A 14 14.287 -1.881 -11.385 1.00 0.00 H new ATOM 0 HD23 LEU A 14 13.615 -1.943 -9.738 1.00 0.00 H new ATOM 236 N ASN A 15 11.429 1.373 -10.098 1.00 0.00 N ATOM 237 CA ASN A 15 11.309 2.794 -10.395 1.00 0.00 C ATOM 238 C ASN A 15 11.428 2.969 -11.910 1.00 0.00 C ATOM 239 O ASN A 15 12.420 2.549 -12.506 1.00 0.00 O ATOM 240 CB ASN A 15 12.373 3.593 -9.627 1.00 0.00 C ATOM 241 CG ASN A 15 12.171 5.103 -9.739 1.00 0.00 C ATOM 242 OD1 ASN A 15 11.818 5.631 -10.790 1.00 0.00 O ATOM 243 ND2 ASN A 15 12.383 5.830 -8.655 1.00 0.00 N ATOM 0 H ASN A 15 12.270 1.124 -9.578 1.00 0.00 H new ATOM 0 HA ASN A 15 10.343 3.180 -10.070 1.00 0.00 H new ATOM 0 HB2 ASN A 15 12.350 3.304 -8.576 1.00 0.00 H new ATOM 0 HB3 ASN A 15 13.361 3.334 -10.007 1.00 0.00 H new ATOM 0 HD21 ASN A 15 12.254 6.841 -8.686 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.676 5.379 -7.788 1.00 0.00 H new ATOM 250 N GLU A 16 10.413 3.579 -12.521 1.00 0.00 N ATOM 251 CA GLU A 16 10.271 3.781 -13.962 1.00 0.00 C ATOM 252 C GLU A 16 11.534 4.365 -14.618 1.00 0.00 C ATOM 253 O GLU A 16 11.835 4.034 -15.766 1.00 0.00 O ATOM 254 CB GLU A 16 9.045 4.686 -14.185 1.00 0.00 C ATOM 255 CG GLU A 16 8.655 4.879 -15.658 1.00 0.00 C ATOM 256 CD GLU A 16 7.417 5.784 -15.794 1.00 0.00 C ATOM 257 OE1 GLU A 16 6.272 5.288 -15.692 1.00 0.00 O ATOM 258 OE2 GLU A 16 7.576 7.006 -16.020 1.00 0.00 O ATOM 0 H GLU A 16 9.628 3.965 -11.997 1.00 0.00 H new ATOM 0 HA GLU A 16 10.129 2.814 -14.445 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.195 4.263 -13.650 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.245 5.663 -13.744 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.491 5.318 -16.203 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.451 3.910 -16.113 1.00 0.00 H new ATOM 265 N LYS A 17 12.294 5.214 -13.911 1.00 0.00 N ATOM 266 CA LYS A 17 13.478 5.861 -14.481 1.00 0.00 C ATOM 267 C LYS A 17 14.595 4.874 -14.846 1.00 0.00 C ATOM 268 O LYS A 17 15.448 5.209 -15.669 1.00 0.00 O ATOM 269 CB LYS A 17 13.985 6.966 -13.538 1.00 0.00 C ATOM 270 CG LYS A 17 14.752 6.448 -12.307 1.00 0.00 C ATOM 271 CD LYS A 17 15.003 7.588 -11.314 1.00 0.00 C ATOM 272 CE LYS A 17 15.776 7.084 -10.087 1.00 0.00 C ATOM 273 NZ LYS A 17 16.098 8.185 -9.142 1.00 0.00 N ATOM 0 H LYS A 17 12.106 5.467 -12.941 1.00 0.00 H new ATOM 0 HA LYS A 17 13.171 6.313 -15.424 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.635 7.637 -14.100 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.134 7.556 -13.199 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.182 5.655 -11.823 1.00 0.00 H new ATOM 0 HG3 LYS A 17 15.702 6.013 -12.619 1.00 0.00 H new ATOM 0 HD2 LYS A 17 15.566 8.384 -11.802 1.00 0.00 H new ATOM 0 HD3 LYS A 17 14.052 8.017 -10.999 1.00 0.00 H new ATOM 0 HE2 LYS A 17 15.186 6.326 -9.573 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.699 6.603 -10.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 16.620 7.802 -8.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 16.683 8.897 -9.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 15.217 8.628 -8.811 1.00 0.00 H new ATOM 287 N ILE A 18 14.633 3.699 -14.214 1.00 0.00 N ATOM 288 CA ILE A 18 15.743 2.759 -14.306 1.00 0.00 C ATOM 289 C ILE A 18 15.743 2.130 -15.703 1.00 0.00 C ATOM 290 O ILE A 18 14.763 1.498 -16.110 1.00 0.00 O ATOM 291 CB ILE A 18 15.630 1.740 -13.145 1.00 0.00 C ATOM 292 CG1 ILE A 18 15.699 2.439 -11.765 1.00 0.00 C ATOM 293 CG2 ILE A 18 16.686 0.627 -13.196 1.00 0.00 C ATOM 294 CD1 ILE A 18 16.962 3.274 -11.497 1.00 0.00 C ATOM 0 H ILE A 18 13.876 3.372 -13.613 1.00 0.00 H new ATOM 0 HA ILE A 18 16.710 3.249 -14.191 1.00 0.00 H new ATOM 0 HB ILE A 18 14.653 1.274 -13.276 1.00 0.00 H new ATOM 0 HG12 ILE A 18 14.830 3.089 -11.665 1.00 0.00 H new ATOM 0 HG13 ILE A 18 15.619 1.677 -10.989 1.00 0.00 H new ATOM 0 HG21 ILE A 18 16.544 -0.048 -12.352 1.00 0.00 H new ATOM 0 HG22 ILE A 18 16.583 0.070 -14.127 1.00 0.00 H new ATOM 0 HG23 ILE A 18 17.682 1.068 -13.145 1.00 0.00 H new ATOM 0 HD11 ILE A 18 16.902 3.716 -10.503 1.00 0.00 H new ATOM 0 HD12 ILE A 18 17.841 2.633 -11.556 1.00 0.00 H new ATOM 0 HD13 ILE A 18 17.040 4.066 -12.242 1.00 0.00 H new ATOM 306 N LYS A 19 16.839 2.322 -16.444 1.00 0.00 N ATOM 307 CA LYS A 19 17.054 1.702 -17.754 1.00 0.00 C ATOM 308 C LYS A 19 17.261 0.193 -17.592 1.00 0.00 C ATOM 309 O LYS A 19 17.590 -0.276 -16.503 1.00 0.00 O ATOM 310 CB LYS A 19 18.274 2.352 -18.436 1.00 0.00 C ATOM 311 CG LYS A 19 18.043 3.838 -18.762 1.00 0.00 C ATOM 312 CD LYS A 19 19.303 4.475 -19.363 1.00 0.00 C ATOM 313 CE LYS A 19 19.058 5.965 -19.637 1.00 0.00 C ATOM 314 NZ LYS A 19 20.258 6.641 -20.190 1.00 0.00 N ATOM 0 H LYS A 19 17.610 2.919 -16.147 1.00 0.00 H new ATOM 0 HA LYS A 19 16.177 1.860 -18.381 1.00 0.00 H new ATOM 0 HB2 LYS A 19 19.144 2.257 -17.786 1.00 0.00 H new ATOM 0 HB3 LYS A 19 18.503 1.813 -19.355 1.00 0.00 H new ATOM 0 HG2 LYS A 19 17.213 3.935 -19.462 1.00 0.00 H new ATOM 0 HG3 LYS A 19 17.759 4.372 -17.855 1.00 0.00 H new ATOM 0 HD2 LYS A 19 20.143 4.356 -18.678 1.00 0.00 H new ATOM 0 HD3 LYS A 19 19.572 3.966 -20.289 1.00 0.00 H new ATOM 0 HE2 LYS A 19 18.229 6.072 -20.336 1.00 0.00 H new ATOM 0 HE3 LYS A 19 18.760 6.458 -18.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 20.044 7.645 -20.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 21.043 6.563 -19.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 20.529 6.189 -21.087 1.00 0.00 H new ATOM 328 N LYS A 20 17.175 -0.562 -18.693 1.00 0.00 N ATOM 329 CA LYS A 20 17.468 -2.003 -18.719 1.00 0.00 C ATOM 330 C LYS A 20 18.855 -2.275 -18.143 1.00 0.00 C ATOM 331 O LYS A 20 19.030 -3.167 -17.316 1.00 0.00 O ATOM 332 CB LYS A 20 17.395 -2.513 -20.171 1.00 0.00 C ATOM 333 CG LYS A 20 17.519 -4.046 -20.251 1.00 0.00 C ATOM 334 CD LYS A 20 17.455 -4.585 -21.690 1.00 0.00 C ATOM 335 CE LYS A 20 18.671 -4.163 -22.530 1.00 0.00 C ATOM 336 NZ LYS A 20 18.657 -4.765 -23.888 1.00 0.00 N ATOM 0 H LYS A 20 16.898 -0.188 -19.601 1.00 0.00 H new ATOM 0 HA LYS A 20 16.731 -2.527 -18.110 1.00 0.00 H new ATOM 0 HB2 LYS A 20 16.451 -2.202 -20.617 1.00 0.00 H new ATOM 0 HB3 LYS A 20 18.191 -2.054 -20.757 1.00 0.00 H new ATOM 0 HG2 LYS A 20 18.462 -4.352 -19.797 1.00 0.00 H new ATOM 0 HG3 LYS A 20 16.720 -4.500 -19.664 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.395 -5.673 -21.665 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.544 -4.226 -22.169 1.00 0.00 H new ATOM 0 HE2 LYS A 20 18.690 -3.077 -22.617 1.00 0.00 H new ATOM 0 HE3 LYS A 20 19.585 -4.457 -22.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 19.496 -4.451 -24.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 18.666 -5.802 -23.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.799 -4.464 -24.392 1.00 0.00 H new ATOM 350 N GLU A 21 19.831 -1.487 -18.592 1.00 0.00 N ATOM 351 CA GLU A 21 21.225 -1.608 -18.198 1.00 0.00 C ATOM 352 C GLU A 21 21.368 -1.401 -16.688 1.00 0.00 C ATOM 353 O GLU A 21 22.059 -2.164 -16.015 1.00 0.00 O ATOM 354 CB GLU A 21 22.017 -0.586 -19.023 1.00 0.00 C ATOM 355 CG GLU A 21 23.511 -0.563 -18.674 1.00 0.00 C ATOM 356 CD GLU A 21 24.300 0.346 -19.631 1.00 0.00 C ATOM 357 OE1 GLU A 21 24.448 1.557 -19.349 1.00 0.00 O ATOM 358 OE2 GLU A 21 24.800 -0.144 -20.670 1.00 0.00 O ATOM 0 H GLU A 21 19.665 -0.730 -19.255 1.00 0.00 H new ATOM 0 HA GLU A 21 21.618 -2.605 -18.398 1.00 0.00 H new ATOM 0 HB2 GLU A 21 21.900 -0.814 -20.083 1.00 0.00 H new ATOM 0 HB3 GLU A 21 21.597 0.407 -18.862 1.00 0.00 H new ATOM 0 HG2 GLU A 21 23.641 -0.214 -17.650 1.00 0.00 H new ATOM 0 HG3 GLU A 21 23.912 -1.576 -18.719 1.00 0.00 H new ATOM 365 N GLU A 22 20.674 -0.401 -16.144 1.00 0.00 N ATOM 366 CA GLU A 22 20.728 -0.083 -14.725 1.00 0.00 C ATOM 367 C GLU A 22 20.022 -1.161 -13.903 1.00 0.00 C ATOM 368 O GLU A 22 20.506 -1.515 -12.831 1.00 0.00 O ATOM 369 CB GLU A 22 20.097 1.287 -14.473 1.00 0.00 C ATOM 370 CG GLU A 22 20.941 2.425 -15.057 1.00 0.00 C ATOM 371 CD GLU A 22 20.225 3.780 -14.908 1.00 0.00 C ATOM 372 OE1 GLU A 22 19.049 3.890 -15.320 1.00 0.00 O ATOM 373 OE2 GLU A 22 20.847 4.739 -14.392 1.00 0.00 O ATOM 0 H GLU A 22 20.058 0.210 -16.680 1.00 0.00 H new ATOM 0 HA GLU A 22 21.772 -0.051 -14.413 1.00 0.00 H new ATOM 0 HB2 GLU A 22 19.100 1.313 -14.912 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.977 1.439 -13.400 1.00 0.00 H new ATOM 0 HG2 GLU A 22 21.906 2.463 -14.551 1.00 0.00 H new ATOM 0 HG3 GLU A 22 21.141 2.230 -16.111 1.00 0.00 H new ATOM 380 N LEU A 23 18.915 -1.716 -14.402 1.00 0.00 N ATOM 381 CA LEU A 23 18.211 -2.833 -13.781 1.00 0.00 C ATOM 382 C LEU A 23 19.152 -4.031 -13.686 1.00 0.00 C ATOM 383 O LEU A 23 19.329 -4.558 -12.586 1.00 0.00 O ATOM 384 CB LEU A 23 16.887 -3.087 -14.556 1.00 0.00 C ATOM 385 CG LEU A 23 16.139 -4.433 -14.433 1.00 0.00 C ATOM 386 CD1 LEU A 23 16.813 -5.613 -15.138 1.00 0.00 C ATOM 387 CD2 LEU A 23 15.845 -4.767 -12.972 1.00 0.00 C ATOM 0 H LEU A 23 18.477 -1.393 -15.265 1.00 0.00 H new ATOM 0 HA LEU A 23 17.916 -2.615 -12.754 1.00 0.00 H new ATOM 0 HB2 LEU A 23 16.188 -2.305 -14.259 1.00 0.00 H new ATOM 0 HB3 LEU A 23 17.102 -2.937 -15.614 1.00 0.00 H new ATOM 0 HG LEU A 23 15.201 -4.282 -14.967 1.00 0.00 H new ATOM 0 HD11 LEU A 23 16.214 -6.512 -14.995 1.00 0.00 H new ATOM 0 HD12 LEU A 23 16.899 -5.399 -16.203 1.00 0.00 H new ATOM 0 HD13 LEU A 23 17.807 -5.768 -14.718 1.00 0.00 H new ATOM 0 HD21 LEU A 23 15.318 -5.719 -12.915 1.00 0.00 H new ATOM 0 HD22 LEU A 23 16.782 -4.837 -12.419 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.225 -3.983 -12.537 1.00 0.00 H new ATOM 399 N LYS A 24 19.804 -4.451 -14.780 1.00 0.00 N ATOM 400 CA LYS A 24 20.662 -5.638 -14.708 1.00 0.00 C ATOM 401 C LYS A 24 21.877 -5.379 -13.823 1.00 0.00 C ATOM 402 O LYS A 24 22.238 -6.245 -13.025 1.00 0.00 O ATOM 403 CB LYS A 24 21.024 -6.201 -16.094 1.00 0.00 C ATOM 404 CG LYS A 24 21.941 -5.333 -16.967 1.00 0.00 C ATOM 405 CD LYS A 24 22.312 -6.066 -18.265 1.00 0.00 C ATOM 406 CE LYS A 24 23.297 -5.229 -19.095 1.00 0.00 C ATOM 407 NZ LYS A 24 23.757 -5.946 -20.311 1.00 0.00 N ATOM 0 H LYS A 24 19.757 -4.003 -15.695 1.00 0.00 H new ATOM 0 HA LYS A 24 20.085 -6.430 -14.231 1.00 0.00 H new ATOM 0 HB2 LYS A 24 21.503 -7.170 -15.954 1.00 0.00 H new ATOM 0 HB3 LYS A 24 20.099 -6.379 -16.642 1.00 0.00 H new ATOM 0 HG2 LYS A 24 21.442 -4.394 -17.204 1.00 0.00 H new ATOM 0 HG3 LYS A 24 22.846 -5.082 -16.414 1.00 0.00 H new ATOM 0 HD2 LYS A 24 22.757 -7.033 -18.029 1.00 0.00 H new ATOM 0 HD3 LYS A 24 21.412 -6.263 -18.848 1.00 0.00 H new ATOM 0 HE2 LYS A 24 22.820 -4.293 -19.386 1.00 0.00 H new ATOM 0 HE3 LYS A 24 24.159 -4.970 -18.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 24.420 -5.343 -20.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 24.236 -6.827 -20.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 22.939 -6.171 -20.912 1.00 0.00 H new ATOM 421 N LYS A 25 22.460 -4.179 -13.901 1.00 0.00 N ATOM 422 CA LYS A 25 23.548 -3.759 -13.025 1.00 0.00 C ATOM 423 C LYS A 25 23.118 -3.872 -11.564 1.00 0.00 C ATOM 424 O LYS A 25 23.827 -4.491 -10.775 1.00 0.00 O ATOM 425 CB LYS A 25 23.986 -2.334 -13.414 1.00 0.00 C ATOM 426 CG LYS A 25 25.006 -1.728 -12.441 1.00 0.00 C ATOM 427 CD LYS A 25 25.613 -0.430 -12.984 1.00 0.00 C ATOM 428 CE LYS A 25 26.619 0.124 -11.966 1.00 0.00 C ATOM 429 NZ LYS A 25 27.257 1.382 -12.429 1.00 0.00 N ATOM 0 H LYS A 25 22.185 -3.469 -14.580 1.00 0.00 H new ATOM 0 HA LYS A 25 24.412 -4.413 -13.145 1.00 0.00 H new ATOM 0 HB2 LYS A 25 24.416 -2.354 -14.415 1.00 0.00 H new ATOM 0 HB3 LYS A 25 23.108 -1.690 -13.457 1.00 0.00 H new ATOM 0 HG2 LYS A 25 24.522 -1.530 -11.485 1.00 0.00 H new ATOM 0 HG3 LYS A 25 25.801 -2.450 -12.253 1.00 0.00 H new ATOM 0 HD2 LYS A 25 26.108 -0.617 -13.937 1.00 0.00 H new ATOM 0 HD3 LYS A 25 24.827 0.302 -13.171 1.00 0.00 H new ATOM 0 HE2 LYS A 25 26.111 0.305 -11.019 1.00 0.00 H new ATOM 0 HE3 LYS A 25 27.390 -0.623 -11.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 27.928 1.717 -11.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 27.765 1.206 -13.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 26.526 2.105 -12.584 1.00 0.00 H new ATOM 443 N SER A 26 21.968 -3.309 -11.199 1.00 0.00 N ATOM 444 CA SER A 26 21.517 -3.254 -9.813 1.00 0.00 C ATOM 445 C SER A 26 21.198 -4.651 -9.275 1.00 0.00 C ATOM 446 O SER A 26 21.584 -5.008 -8.160 1.00 0.00 O ATOM 447 CB SER A 26 20.315 -2.311 -9.705 1.00 0.00 C ATOM 448 OG SER A 26 20.648 -1.037 -10.220 1.00 0.00 O ATOM 0 H SER A 26 21.322 -2.877 -11.860 1.00 0.00 H new ATOM 0 HA SER A 26 22.321 -2.860 -9.192 1.00 0.00 H new ATOM 0 HB2 SER A 26 19.469 -2.724 -10.254 1.00 0.00 H new ATOM 0 HB3 SER A 26 20.006 -2.221 -8.664 1.00 0.00 H new ATOM 0 HG SER A 26 20.777 -1.099 -11.190 1.00 0.00 H new ATOM 454 N LEU A 27 20.545 -5.473 -10.096 1.00 0.00 N ATOM 455 CA LEU A 27 20.251 -6.860 -9.766 1.00 0.00 C ATOM 456 C LEU A 27 21.545 -7.620 -9.480 1.00 0.00 C ATOM 457 O LEU A 27 21.668 -8.236 -8.421 1.00 0.00 O ATOM 458 CB LEU A 27 19.488 -7.512 -10.928 1.00 0.00 C ATOM 459 CG LEU A 27 17.968 -7.288 -10.918 1.00 0.00 C ATOM 460 CD1 LEU A 27 17.368 -7.918 -12.172 1.00 0.00 C ATOM 461 CD2 LEU A 27 17.291 -7.934 -9.716 1.00 0.00 C ATOM 0 H LEU A 27 20.204 -5.189 -11.015 1.00 0.00 H new ATOM 0 HA LEU A 27 19.630 -6.894 -8.871 1.00 0.00 H new ATOM 0 HB2 LEU A 27 19.890 -7.129 -11.866 1.00 0.00 H new ATOM 0 HB3 LEU A 27 19.682 -8.585 -10.913 1.00 0.00 H new ATOM 0 HG LEU A 27 17.802 -6.212 -10.875 1.00 0.00 H new ATOM 0 HD11 LEU A 27 16.289 -7.765 -12.175 1.00 0.00 H new ATOM 0 HD12 LEU A 27 17.803 -7.453 -13.057 1.00 0.00 H new ATOM 0 HD13 LEU A 27 17.583 -8.987 -12.181 1.00 0.00 H new ATOM 0 HD21 LEU A 27 16.218 -7.745 -9.758 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.471 -9.009 -9.731 1.00 0.00 H new ATOM 0 HD23 LEU A 27 17.698 -7.511 -8.798 1.00 0.00 H new ATOM 473 N TYR A 28 22.524 -7.543 -10.382 1.00 0.00 N ATOM 474 CA TYR A 28 23.808 -8.202 -10.183 1.00 0.00 C ATOM 475 C TYR A 28 24.527 -7.651 -8.944 1.00 0.00 C ATOM 476 O TYR A 28 25.170 -8.410 -8.218 1.00 0.00 O ATOM 477 CB TYR A 28 24.660 -8.046 -11.449 1.00 0.00 C ATOM 478 CG TYR A 28 25.954 -8.836 -11.413 1.00 0.00 C ATOM 479 CD1 TYR A 28 25.940 -10.218 -11.687 1.00 0.00 C ATOM 480 CD2 TYR A 28 27.168 -8.197 -11.092 1.00 0.00 C ATOM 481 CE1 TYR A 28 27.132 -10.962 -11.643 1.00 0.00 C ATOM 482 CE2 TYR A 28 28.365 -8.936 -11.045 1.00 0.00 C ATOM 483 CZ TYR A 28 28.353 -10.322 -11.320 1.00 0.00 C ATOM 484 OH TYR A 28 29.519 -11.026 -11.273 1.00 0.00 O ATOM 0 H TYR A 28 22.448 -7.028 -11.259 1.00 0.00 H new ATOM 0 HA TYR A 28 23.642 -9.264 -10.003 1.00 0.00 H new ATOM 0 HB2 TYR A 28 24.075 -8.363 -12.312 1.00 0.00 H new ATOM 0 HB3 TYR A 28 24.893 -6.991 -11.592 1.00 0.00 H new ATOM 0 HD1 TYR A 28 25.009 -10.708 -11.932 1.00 0.00 H new ATOM 0 HD2 TYR A 28 27.180 -7.138 -10.882 1.00 0.00 H new ATOM 0 HE1 TYR A 28 27.116 -12.021 -11.855 1.00 0.00 H new ATOM 0 HE2 TYR A 28 29.294 -8.443 -10.798 1.00 0.00 H new ATOM 0 HH TYR A 28 30.255 -10.424 -11.037 1.00 0.00 H new ATOM 494 N ALA A 29 24.408 -6.342 -8.682 1.00 0.00 N ATOM 495 CA ALA A 29 25.053 -5.690 -7.552 1.00 0.00 C ATOM 496 C ALA A 29 24.528 -6.216 -6.214 1.00 0.00 C ATOM 497 O ALA A 29 25.345 -6.437 -5.317 1.00 0.00 O ATOM 498 CB ALA A 29 24.881 -4.168 -7.635 1.00 0.00 C ATOM 0 H ALA A 29 23.855 -5.707 -9.258 1.00 0.00 H new ATOM 0 HA ALA A 29 26.116 -5.927 -7.604 1.00 0.00 H new ATOM 0 HB1 ALA A 29 25.370 -3.699 -6.781 1.00 0.00 H new ATOM 0 HB2 ALA A 29 25.331 -3.801 -8.557 1.00 0.00 H new ATOM 0 HB3 ALA A 29 23.819 -3.921 -7.626 1.00 0.00 H new ATOM 504 N ILE A 30 23.209 -6.423 -6.055 1.00 0.00 N ATOM 505 CA ILE A 30 22.641 -6.750 -4.738 1.00 0.00 C ATOM 506 C ILE A 30 21.742 -7.988 -4.697 1.00 0.00 C ATOM 507 O ILE A 30 21.911 -8.782 -3.775 1.00 0.00 O ATOM 508 CB ILE A 30 21.960 -5.528 -4.076 1.00 0.00 C ATOM 509 CG1 ILE A 30 21.048 -4.709 -5.016 1.00 0.00 C ATOM 510 CG2 ILE A 30 23.037 -4.628 -3.437 1.00 0.00 C ATOM 511 CD1 ILE A 30 20.180 -3.681 -4.278 1.00 0.00 C ATOM 0 H ILE A 30 22.526 -6.371 -6.811 1.00 0.00 H new ATOM 0 HA ILE A 30 23.510 -7.025 -4.141 1.00 0.00 H new ATOM 0 HB ILE A 30 21.289 -5.925 -3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 30 21.666 -4.192 -5.750 1.00 0.00 H new ATOM 0 HG13 ILE A 30 20.401 -5.391 -5.568 1.00 0.00 H new ATOM 0 HG21 ILE A 30 22.561 -3.766 -2.970 1.00 0.00 H new ATOM 0 HG22 ILE A 30 23.583 -5.194 -2.682 1.00 0.00 H new ATOM 0 HG23 ILE A 30 23.729 -4.287 -4.207 1.00 0.00 H new ATOM 0 HD11 ILE A 30 19.564 -3.141 -4.998 1.00 0.00 H new ATOM 0 HD12 ILE A 30 19.537 -4.194 -3.563 1.00 0.00 H new ATOM 0 HD13 ILE A 30 20.821 -2.976 -3.748 1.00 0.00 H new ATOM 523 N PHE A 31 20.844 -8.224 -5.654 1.00 0.00 N ATOM 524 CA PHE A 31 20.003 -9.431 -5.628 1.00 0.00 C ATOM 525 C PHE A 31 20.847 -10.711 -5.647 1.00 0.00 C ATOM 526 O PHE A 31 20.507 -11.665 -4.944 1.00 0.00 O ATOM 527 CB PHE A 31 18.977 -9.457 -6.768 1.00 0.00 C ATOM 528 CG PHE A 31 17.628 -8.837 -6.456 1.00 0.00 C ATOM 529 CD1 PHE A 31 17.508 -7.452 -6.236 1.00 0.00 C ATOM 530 CD2 PHE A 31 16.472 -9.642 -6.457 1.00 0.00 C ATOM 531 CE1 PHE A 31 16.237 -6.876 -6.064 1.00 0.00 C ATOM 532 CE2 PHE A 31 15.205 -9.067 -6.278 1.00 0.00 C ATOM 533 CZ PHE A 31 15.086 -7.681 -6.098 1.00 0.00 C ATOM 0 H PHE A 31 20.678 -7.607 -6.449 1.00 0.00 H new ATOM 0 HA PHE A 31 19.452 -9.393 -4.688 1.00 0.00 H new ATOM 0 HB2 PHE A 31 19.404 -8.940 -7.627 1.00 0.00 H new ATOM 0 HB3 PHE A 31 18.819 -10.494 -7.066 1.00 0.00 H new ATOM 0 HD1 PHE A 31 18.392 -6.832 -6.199 1.00 0.00 H new ATOM 0 HD2 PHE A 31 16.562 -10.709 -6.597 1.00 0.00 H new ATOM 0 HE1 PHE A 31 16.145 -5.812 -5.905 1.00 0.00 H new ATOM 0 HE2 PHE A 31 14.323 -9.690 -6.279 1.00 0.00 H new ATOM 0 HZ PHE A 31 14.110 -7.233 -5.986 1.00 0.00 H new ATOM 543 N SER A 32 21.967 -10.741 -6.379 1.00 0.00 N ATOM 544 CA SER A 32 22.870 -11.890 -6.350 1.00 0.00 C ATOM 545 C SER A 32 23.403 -12.191 -4.946 1.00 0.00 C ATOM 546 O SER A 32 23.587 -13.366 -4.628 1.00 0.00 O ATOM 547 CB SER A 32 24.025 -11.688 -7.329 1.00 0.00 C ATOM 548 OG SER A 32 23.523 -11.774 -8.646 1.00 0.00 O ATOM 0 H SER A 32 22.266 -9.985 -6.995 1.00 0.00 H new ATOM 0 HA SER A 32 22.286 -12.757 -6.657 1.00 0.00 H new ATOM 0 HB2 SER A 32 24.493 -10.717 -7.166 1.00 0.00 H new ATOM 0 HB3 SER A 32 24.794 -12.444 -7.168 1.00 0.00 H new ATOM 0 HG SER A 32 24.255 -11.644 -9.284 1.00 0.00 H new ATOM 554 N GLN A 33 23.569 -11.190 -4.073 1.00 0.00 N ATOM 555 CA GLN A 33 24.028 -11.409 -2.699 1.00 0.00 C ATOM 556 C GLN A 33 23.000 -12.196 -1.866 1.00 0.00 C ATOM 557 O GLN A 33 23.334 -12.654 -0.771 1.00 0.00 O ATOM 558 CB GLN A 33 24.376 -10.078 -2.005 1.00 0.00 C ATOM 559 CG GLN A 33 25.434 -9.249 -2.754 1.00 0.00 C ATOM 560 CD GLN A 33 25.890 -8.021 -1.956 1.00 0.00 C ATOM 561 OE1 GLN A 33 26.137 -8.084 -0.754 1.00 0.00 O ATOM 562 NE2 GLN A 33 26.025 -6.869 -2.595 1.00 0.00 N ATOM 0 H GLN A 33 23.390 -10.212 -4.299 1.00 0.00 H new ATOM 0 HA GLN A 33 24.934 -12.011 -2.763 1.00 0.00 H new ATOM 0 HB2 GLN A 33 23.468 -9.484 -1.902 1.00 0.00 H new ATOM 0 HB3 GLN A 33 24.737 -10.287 -0.998 1.00 0.00 H new ATOM 0 HG2 GLN A 33 26.297 -9.878 -2.971 1.00 0.00 H new ATOM 0 HG3 GLN A 33 25.026 -8.925 -3.712 1.00 0.00 H new ATOM 0 HE21 GLN A 33 25.821 -6.812 -3.593 1.00 0.00 H new ATOM 0 HE22 GLN A 33 26.333 -6.038 -2.089 1.00 0.00 H new ATOM 571 N PHE A 34 21.776 -12.386 -2.375 1.00 0.00 N ATOM 572 CA PHE A 34 20.686 -13.069 -1.691 1.00 0.00 C ATOM 573 C PHE A 34 20.203 -14.301 -2.468 1.00 0.00 C ATOM 574 O PHE A 34 19.222 -14.911 -2.042 1.00 0.00 O ATOM 575 CB PHE A 34 19.549 -12.068 -1.419 1.00 0.00 C ATOM 576 CG PHE A 34 19.981 -10.851 -0.619 1.00 0.00 C ATOM 577 CD1 PHE A 34 20.324 -10.983 0.740 1.00 0.00 C ATOM 578 CD2 PHE A 34 20.078 -9.591 -1.239 1.00 0.00 C ATOM 579 CE1 PHE A 34 20.757 -9.864 1.473 1.00 0.00 C ATOM 580 CE2 PHE A 34 20.514 -8.472 -0.507 1.00 0.00 C ATOM 581 CZ PHE A 34 20.853 -8.607 0.851 1.00 0.00 C ATOM 0 H PHE A 34 21.515 -12.056 -3.304 1.00 0.00 H new ATOM 0 HA PHE A 34 21.051 -13.447 -0.736 1.00 0.00 H new ATOM 0 HB2 PHE A 34 19.134 -11.737 -2.371 1.00 0.00 H new ATOM 0 HB3 PHE A 34 18.749 -12.578 -0.883 1.00 0.00 H new ATOM 0 HD1 PHE A 34 20.254 -11.947 1.221 1.00 0.00 H new ATOM 0 HD2 PHE A 34 19.816 -9.483 -2.281 1.00 0.00 H new ATOM 0 HE1 PHE A 34 21.016 -9.970 2.516 1.00 0.00 H new ATOM 0 HE2 PHE A 34 20.589 -7.508 -0.988 1.00 0.00 H new ATOM 0 HZ PHE A 34 21.186 -7.748 1.414 1.00 0.00 H new ATOM 591 N GLY A 35 20.868 -14.706 -3.561 1.00 0.00 N ATOM 592 CA GLY A 35 20.493 -15.949 -4.237 1.00 0.00 C ATOM 593 C GLY A 35 21.251 -16.322 -5.514 1.00 0.00 C ATOM 594 O GLY A 35 20.800 -17.237 -6.194 1.00 0.00 O ATOM 0 H GLY A 35 21.648 -14.203 -3.984 1.00 0.00 H new ATOM 0 HA2 GLY A 35 20.612 -16.766 -3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.432 -15.891 -4.482 1.00 0.00 H new ATOM 598 N GLN A 36 22.359 -15.644 -5.836 1.00 0.00 N ATOM 599 CA GLN A 36 23.137 -15.716 -7.079 1.00 0.00 C ATOM 600 C GLN A 36 22.294 -15.861 -8.356 1.00 0.00 C ATOM 601 O GLN A 36 21.824 -16.939 -8.727 1.00 0.00 O ATOM 602 CB GLN A 36 24.259 -16.765 -6.985 1.00 0.00 C ATOM 603 CG GLN A 36 25.199 -16.744 -8.209 1.00 0.00 C ATOM 604 CD GLN A 36 25.783 -15.353 -8.494 1.00 0.00 C ATOM 605 OE1 GLN A 36 26.604 -14.843 -7.737 1.00 0.00 O ATOM 606 NE2 GLN A 36 25.345 -14.690 -9.555 1.00 0.00 N ATOM 0 H GLN A 36 22.768 -14.977 -5.181 1.00 0.00 H new ATOM 0 HA GLN A 36 23.607 -14.738 -7.182 1.00 0.00 H new ATOM 0 HB2 GLN A 36 24.842 -16.587 -6.081 1.00 0.00 H new ATOM 0 HB3 GLN A 36 23.817 -17.757 -6.889 1.00 0.00 H new ATOM 0 HG2 GLN A 36 26.015 -17.448 -8.045 1.00 0.00 H new ATOM 0 HG3 GLN A 36 24.652 -17.089 -9.086 1.00 0.00 H new ATOM 0 HE21 GLN A 36 24.663 -15.120 -10.179 1.00 0.00 H new ATOM 0 HE22 GLN A 36 25.690 -13.750 -9.747 1.00 0.00 H new ATOM 615 N ILE A 37 22.152 -14.748 -9.072 1.00 0.00 N ATOM 616 CA ILE A 37 21.486 -14.698 -10.365 1.00 0.00 C ATOM 617 C ILE A 37 22.195 -15.622 -11.365 1.00 0.00 C ATOM 618 O ILE A 37 23.411 -15.825 -11.298 1.00 0.00 O ATOM 619 CB ILE A 37 21.444 -13.225 -10.819 1.00 0.00 C ATOM 620 CG1 ILE A 37 20.508 -12.462 -9.855 1.00 0.00 C ATOM 621 CG2 ILE A 37 20.991 -13.067 -12.278 1.00 0.00 C ATOM 622 CD1 ILE A 37 20.485 -10.957 -10.079 1.00 0.00 C ATOM 0 H ILE A 37 22.503 -13.842 -8.762 1.00 0.00 H new ATOM 0 HA ILE A 37 20.462 -15.064 -10.299 1.00 0.00 H new ATOM 0 HB ILE A 37 22.452 -12.811 -10.782 1.00 0.00 H new ATOM 0 HG12 ILE A 37 19.496 -12.851 -9.964 1.00 0.00 H new ATOM 0 HG13 ILE A 37 20.818 -12.662 -8.829 1.00 0.00 H new ATOM 0 HG21 ILE A 37 20.980 -12.010 -12.543 1.00 0.00 H new ATOM 0 HG22 ILE A 37 21.682 -13.598 -12.933 1.00 0.00 H new ATOM 0 HG23 ILE A 37 19.989 -13.481 -12.395 1.00 0.00 H new ATOM 0 HD11 ILE A 37 19.805 -10.493 -9.364 1.00 0.00 H new ATOM 0 HD12 ILE A 37 21.488 -10.553 -9.941 1.00 0.00 H new ATOM 0 HD13 ILE A 37 20.145 -10.745 -11.093 1.00 0.00 H new ATOM 634 N LEU A 38 21.419 -16.120 -12.326 1.00 0.00 N ATOM 635 CA LEU A 38 21.839 -16.902 -13.473 1.00 0.00 C ATOM 636 C LEU A 38 21.471 -16.171 -14.772 1.00 0.00 C ATOM 637 O LEU A 38 22.267 -16.213 -15.709 1.00 0.00 O ATOM 638 CB LEU A 38 21.165 -18.283 -13.388 1.00 0.00 C ATOM 639 CG LEU A 38 21.496 -19.233 -14.554 1.00 0.00 C ATOM 640 CD1 LEU A 38 22.994 -19.553 -14.635 1.00 0.00 C ATOM 641 CD2 LEU A 38 20.712 -20.536 -14.368 1.00 0.00 C ATOM 0 H LEU A 38 20.410 -15.974 -12.317 1.00 0.00 H new ATOM 0 HA LEU A 38 22.921 -17.034 -13.473 1.00 0.00 H new ATOM 0 HB2 LEU A 38 21.461 -18.760 -12.454 1.00 0.00 H new ATOM 0 HB3 LEU A 38 20.085 -18.143 -13.346 1.00 0.00 H new ATOM 0 HG LEU A 38 21.215 -18.736 -15.482 1.00 0.00 H new ATOM 0 HD11 LEU A 38 23.178 -20.226 -15.473 1.00 0.00 H new ATOM 0 HD12 LEU A 38 23.556 -18.630 -14.781 1.00 0.00 H new ATOM 0 HD13 LEU A 38 23.315 -20.030 -13.709 1.00 0.00 H new ATOM 0 HD21 LEU A 38 20.938 -21.217 -15.188 1.00 0.00 H new ATOM 0 HD22 LEU A 38 20.995 -20.999 -13.423 1.00 0.00 H new ATOM 0 HD23 LEU A 38 19.644 -20.320 -14.360 1.00 0.00 H new ATOM 653 N ASP A 39 20.327 -15.468 -14.844 1.00 0.00 N ATOM 654 CA ASP A 39 19.957 -14.657 -16.021 1.00 0.00 C ATOM 655 C ASP A 39 18.949 -13.562 -15.641 1.00 0.00 C ATOM 656 O ASP A 39 18.334 -13.648 -14.582 1.00 0.00 O ATOM 657 CB ASP A 39 19.403 -15.559 -17.142 1.00 0.00 C ATOM 658 CG ASP A 39 19.123 -14.793 -18.446 1.00 0.00 C ATOM 659 OD1 ASP A 39 19.890 -13.864 -18.786 1.00 0.00 O ATOM 660 OD2 ASP A 39 18.149 -15.139 -19.149 1.00 0.00 O ATOM 0 H ASP A 39 19.636 -15.445 -14.094 1.00 0.00 H new ATOM 0 HA ASP A 39 20.854 -14.163 -16.393 1.00 0.00 H new ATOM 0 HB2 ASP A 39 20.116 -16.359 -17.343 1.00 0.00 H new ATOM 0 HB3 ASP A 39 18.482 -16.031 -16.799 1.00 0.00 H new ATOM 665 N ILE A 40 18.771 -12.527 -16.469 1.00 0.00 N ATOM 666 CA ILE A 40 17.976 -11.326 -16.191 1.00 0.00 C ATOM 667 C ILE A 40 17.257 -10.935 -17.492 1.00 0.00 C ATOM 668 O ILE A 40 17.858 -11.016 -18.567 1.00 0.00 O ATOM 669 CB ILE A 40 18.901 -10.172 -15.708 1.00 0.00 C ATOM 670 CG1 ILE A 40 19.722 -10.560 -14.455 1.00 0.00 C ATOM 671 CG2 ILE A 40 18.073 -8.902 -15.437 1.00 0.00 C ATOM 672 CD1 ILE A 40 20.727 -9.515 -13.949 1.00 0.00 C ATOM 0 H ILE A 40 19.198 -12.503 -17.395 1.00 0.00 H new ATOM 0 HA ILE A 40 17.249 -11.519 -15.402 1.00 0.00 H new ATOM 0 HB ILE A 40 19.614 -9.973 -16.508 1.00 0.00 H new ATOM 0 HG12 ILE A 40 19.026 -10.785 -13.647 1.00 0.00 H new ATOM 0 HG13 ILE A 40 20.265 -11.479 -14.673 1.00 0.00 H new ATOM 0 HG21 ILE A 40 18.733 -8.103 -15.100 1.00 0.00 H new ATOM 0 HG22 ILE A 40 17.569 -8.594 -16.353 1.00 0.00 H new ATOM 0 HG23 ILE A 40 17.331 -9.109 -14.666 1.00 0.00 H new ATOM 0 HD11 ILE A 40 21.241 -9.901 -13.068 1.00 0.00 H new ATOM 0 HD12 ILE A 40 21.456 -9.303 -14.731 1.00 0.00 H new ATOM 0 HD13 ILE A 40 20.198 -8.598 -13.688 1.00 0.00 H new ATOM 684 N VAL A 41 16.002 -10.471 -17.404 1.00 0.00 N ATOM 685 CA VAL A 41 15.213 -10.011 -18.545 1.00 0.00 C ATOM 686 C VAL A 41 14.380 -8.789 -18.125 1.00 0.00 C ATOM 687 O VAL A 41 13.509 -8.882 -17.258 1.00 0.00 O ATOM 688 CB VAL A 41 14.310 -11.154 -19.079 1.00 0.00 C ATOM 689 CG1 VAL A 41 13.579 -10.725 -20.363 1.00 0.00 C ATOM 690 CG2 VAL A 41 15.067 -12.458 -19.385 1.00 0.00 C ATOM 0 H VAL A 41 15.501 -10.406 -16.518 1.00 0.00 H new ATOM 0 HA VAL A 41 15.880 -9.718 -19.356 1.00 0.00 H new ATOM 0 HB VAL A 41 13.607 -11.351 -18.270 1.00 0.00 H new ATOM 0 HG11 VAL A 41 12.953 -11.544 -20.716 1.00 0.00 H new ATOM 0 HG12 VAL A 41 12.955 -9.856 -20.154 1.00 0.00 H new ATOM 0 HG13 VAL A 41 14.310 -10.470 -21.130 1.00 0.00 H new ATOM 0 HG21 VAL A 41 14.367 -13.207 -19.753 1.00 0.00 H new ATOM 0 HG22 VAL A 41 15.827 -12.268 -20.143 1.00 0.00 H new ATOM 0 HG23 VAL A 41 15.544 -12.824 -18.476 1.00 0.00 H new ATOM 700 N ALA A 42 14.633 -7.643 -18.755 1.00 0.00 N ATOM 701 CA ALA A 42 13.838 -6.421 -18.693 1.00 0.00 C ATOM 702 C ALA A 42 13.972 -5.738 -20.060 1.00 0.00 C ATOM 703 O ALA A 42 14.759 -6.189 -20.897 1.00 0.00 O ATOM 704 CB ALA A 42 14.325 -5.510 -17.563 1.00 0.00 C ATOM 0 H ALA A 42 15.448 -7.538 -19.359 1.00 0.00 H new ATOM 0 HA ALA A 42 12.793 -6.644 -18.478 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.717 -4.606 -17.537 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.238 -6.033 -16.611 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.367 -5.242 -17.736 1.00 0.00 H new ATOM 710 N LEU A 43 13.225 -4.658 -20.301 1.00 0.00 N ATOM 711 CA LEU A 43 13.183 -3.970 -21.592 1.00 0.00 C ATOM 712 C LEU A 43 12.856 -2.495 -21.344 1.00 0.00 C ATOM 713 O LEU A 43 12.202 -2.167 -20.353 1.00 0.00 O ATOM 714 CB LEU A 43 12.105 -4.624 -22.491 1.00 0.00 C ATOM 715 CG LEU A 43 12.513 -4.958 -23.940 1.00 0.00 C ATOM 716 CD1 LEU A 43 13.056 -3.758 -24.726 1.00 0.00 C ATOM 717 CD2 LEU A 43 13.534 -6.100 -23.980 1.00 0.00 C ATOM 0 H LEU A 43 12.625 -4.232 -19.595 1.00 0.00 H new ATOM 0 HA LEU A 43 14.145 -4.047 -22.098 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.776 -5.545 -22.010 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.243 -3.958 -22.526 1.00 0.00 H new ATOM 0 HG LEU A 43 11.590 -5.268 -24.430 1.00 0.00 H new ATOM 0 HD11 LEU A 43 13.321 -4.074 -25.735 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.293 -2.981 -24.777 1.00 0.00 H new ATOM 0 HD13 LEU A 43 13.941 -3.365 -24.225 1.00 0.00 H new ATOM 0 HD21 LEU A 43 13.802 -6.312 -25.015 1.00 0.00 H new ATOM 0 HD22 LEU A 43 14.427 -5.809 -23.426 1.00 0.00 H new ATOM 0 HD23 LEU A 43 13.100 -6.992 -23.527 1.00 0.00 H new ATOM 847 N GLY A 50 9.333 -0.872 -15.476 1.00 0.00 N ATOM 848 CA GLY A 50 8.712 -0.958 -14.158 1.00 0.00 C ATOM 849 C GLY A 50 8.568 -2.398 -13.670 1.00 0.00 C ATOM 850 O GLY A 50 8.294 -2.614 -12.488 1.00 0.00 O ATOM 0 HA2 GLY A 50 9.309 -0.393 -13.442 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.728 -0.490 -14.193 1.00 0.00 H new ATOM 854 N GLN A 51 8.787 -3.387 -14.543 1.00 0.00 N ATOM 855 CA GLN A 51 8.733 -4.800 -14.185 1.00 0.00 C ATOM 856 C GLN A 51 9.820 -5.570 -14.934 1.00 0.00 C ATOM 857 O GLN A 51 10.280 -5.126 -15.983 1.00 0.00 O ATOM 858 CB GLN A 51 7.325 -5.361 -14.443 1.00 0.00 C ATOM 859 CG GLN A 51 6.819 -5.199 -15.880 1.00 0.00 C ATOM 860 CD GLN A 51 5.476 -5.905 -16.075 1.00 0.00 C ATOM 861 OE1 GLN A 51 4.486 -5.584 -15.421 1.00 0.00 O ATOM 862 NE2 GLN A 51 5.422 -6.911 -16.935 1.00 0.00 N ATOM 0 H GLN A 51 9.008 -3.223 -15.525 1.00 0.00 H new ATOM 0 HA GLN A 51 8.931 -4.918 -13.120 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.320 -6.421 -14.189 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.624 -4.868 -13.769 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.714 -4.140 -16.114 1.00 0.00 H new ATOM 0 HG3 GLN A 51 7.552 -5.608 -16.575 1.00 0.00 H new ATOM 0 HE21 GLN A 51 6.250 -7.168 -17.472 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.552 -7.429 -17.060 1.00 0.00 H new ATOM 871 N ALA A 52 10.239 -6.714 -14.394 1.00 0.00 N ATOM 872 CA ALA A 52 11.378 -7.488 -14.866 1.00 0.00 C ATOM 873 C ALA A 52 11.217 -8.940 -14.424 1.00 0.00 C ATOM 874 O ALA A 52 10.448 -9.237 -13.506 1.00 0.00 O ATOM 875 CB ALA A 52 12.675 -6.911 -14.276 1.00 0.00 C ATOM 0 H ALA A 52 9.777 -7.138 -13.590 1.00 0.00 H new ATOM 0 HA ALA A 52 11.426 -7.440 -15.954 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.526 -7.492 -14.631 1.00 0.00 H new ATOM 0 HB2 ALA A 52 12.788 -5.873 -14.590 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.632 -6.958 -13.188 1.00 0.00 H new ATOM 881 N PHE A 53 12.007 -9.821 -15.026 1.00 0.00 N ATOM 882 CA PHE A 53 12.168 -11.207 -14.612 1.00 0.00 C ATOM 883 C PHE A 53 13.649 -11.434 -14.335 1.00 0.00 C ATOM 884 O PHE A 53 14.511 -10.818 -14.970 1.00 0.00 O ATOM 885 CB PHE A 53 11.689 -12.170 -15.705 1.00 0.00 C ATOM 886 CG PHE A 53 10.209 -12.112 -16.024 1.00 0.00 C ATOM 887 CD1 PHE A 53 9.311 -12.943 -15.331 1.00 0.00 C ATOM 888 CD2 PHE A 53 9.734 -11.262 -17.041 1.00 0.00 C ATOM 889 CE1 PHE A 53 7.944 -12.936 -15.661 1.00 0.00 C ATOM 890 CE2 PHE A 53 8.364 -11.243 -17.361 1.00 0.00 C ATOM 891 CZ PHE A 53 7.469 -12.084 -16.676 1.00 0.00 C ATOM 0 H PHE A 53 12.571 -9.581 -15.842 1.00 0.00 H new ATOM 0 HA PHE A 53 11.569 -11.398 -13.722 1.00 0.00 H new ATOM 0 HB2 PHE A 53 12.248 -11.963 -16.618 1.00 0.00 H new ATOM 0 HB3 PHE A 53 11.938 -13.187 -15.403 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.672 -13.588 -14.544 1.00 0.00 H new ATOM 0 HD2 PHE A 53 10.422 -10.624 -17.576 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.258 -13.584 -15.136 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.999 -10.582 -18.133 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.419 -12.076 -16.928 1.00 0.00 H new ATOM 901 N VAL A 54 13.958 -12.341 -13.415 1.00 0.00 N ATOM 902 CA VAL A 54 15.330 -12.719 -13.113 1.00 0.00 C ATOM 903 C VAL A 54 15.315 -14.169 -12.633 1.00 0.00 C ATOM 904 O VAL A 54 14.400 -14.599 -11.923 1.00 0.00 O ATOM 905 CB VAL A 54 15.997 -11.670 -12.188 1.00 0.00 C ATOM 906 CG1 VAL A 54 15.135 -11.161 -11.022 1.00 0.00 C ATOM 907 CG2 VAL A 54 17.335 -12.142 -11.619 1.00 0.00 C ATOM 0 H VAL A 54 13.261 -12.835 -12.857 1.00 0.00 H new ATOM 0 HA VAL A 54 15.980 -12.703 -13.988 1.00 0.00 H new ATOM 0 HB VAL A 54 16.145 -10.833 -12.871 1.00 0.00 H new ATOM 0 HG11 VAL A 54 15.701 -10.432 -10.442 1.00 0.00 H new ATOM 0 HG12 VAL A 54 14.233 -10.691 -11.414 1.00 0.00 H new ATOM 0 HG13 VAL A 54 14.858 -11.998 -10.382 1.00 0.00 H new ATOM 0 HG21 VAL A 54 17.753 -11.365 -10.979 1.00 0.00 H new ATOM 0 HG22 VAL A 54 17.182 -13.049 -11.035 1.00 0.00 H new ATOM 0 HG23 VAL A 54 18.025 -12.349 -12.437 1.00 0.00 H new ATOM 917 N ILE A 55 16.305 -14.921 -13.105 1.00 0.00 N ATOM 918 CA ILE A 55 16.461 -16.360 -13.014 1.00 0.00 C ATOM 919 C ILE A 55 17.706 -16.566 -12.149 1.00 0.00 C ATOM 920 O ILE A 55 18.684 -15.836 -12.327 1.00 0.00 O ATOM 921 CB ILE A 55 16.666 -16.954 -14.436 1.00 0.00 C ATOM 922 CG1 ILE A 55 15.579 -16.640 -15.503 1.00 0.00 C ATOM 923 CG2 ILE A 55 16.795 -18.487 -14.343 1.00 0.00 C ATOM 924 CD1 ILE A 55 15.515 -15.211 -16.065 1.00 0.00 C ATOM 0 H ILE A 55 17.086 -14.495 -13.605 1.00 0.00 H new ATOM 0 HA ILE A 55 15.589 -16.855 -12.585 1.00 0.00 H new ATOM 0 HB ILE A 55 17.571 -16.457 -14.786 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.725 -17.322 -16.340 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.607 -16.872 -15.068 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.939 -18.901 -15.341 1.00 0.00 H new ATOM 0 HG22 ILE A 55 17.650 -18.743 -13.717 1.00 0.00 H new ATOM 0 HG23 ILE A 55 15.888 -18.903 -13.905 1.00 0.00 H new ATOM 0 HD11 ILE A 55 14.710 -15.144 -16.797 1.00 0.00 H new ATOM 0 HD12 ILE A 55 15.327 -14.509 -15.253 1.00 0.00 H new ATOM 0 HD13 ILE A 55 16.463 -14.966 -16.544 1.00 0.00 H new ATOM 936 N PHE A 56 17.703 -17.558 -11.256 1.00 0.00 N ATOM 937 CA PHE A 56 18.728 -17.745 -10.228 1.00 0.00 C ATOM 938 C PHE A 56 19.352 -19.137 -10.289 1.00 0.00 C ATOM 939 O PHE A 56 18.933 -20.004 -11.058 1.00 0.00 O ATOM 940 CB PHE A 56 18.114 -17.496 -8.840 1.00 0.00 C ATOM 941 CG PHE A 56 17.695 -16.064 -8.597 1.00 0.00 C ATOM 942 CD1 PHE A 56 16.436 -15.617 -9.036 1.00 0.00 C ATOM 943 CD2 PHE A 56 18.570 -15.170 -7.950 1.00 0.00 C ATOM 944 CE1 PHE A 56 16.065 -14.280 -8.841 1.00 0.00 C ATOM 945 CE2 PHE A 56 18.183 -13.838 -7.727 1.00 0.00 C ATOM 946 CZ PHE A 56 16.933 -13.390 -8.186 1.00 0.00 C ATOM 0 H PHE A 56 16.972 -18.269 -11.227 1.00 0.00 H new ATOM 0 HA PHE A 56 19.526 -17.026 -10.413 1.00 0.00 H new ATOM 0 HB2 PHE A 56 17.245 -18.143 -8.718 1.00 0.00 H new ATOM 0 HB3 PHE A 56 18.837 -17.786 -8.078 1.00 0.00 H new ATOM 0 HD1 PHE A 56 15.757 -16.302 -9.522 1.00 0.00 H new ATOM 0 HD2 PHE A 56 19.542 -15.510 -7.624 1.00 0.00 H new ATOM 0 HE1 PHE A 56 15.106 -13.932 -9.196 1.00 0.00 H new ATOM 0 HE2 PHE A 56 18.843 -13.161 -7.205 1.00 0.00 H new ATOM 0 HZ PHE A 56 16.639 -12.362 -8.035 1.00 0.00 H new ATOM 956 N LYS A 57 20.368 -19.341 -9.448 1.00 0.00 N ATOM 957 CA LYS A 57 21.092 -20.593 -9.280 1.00 0.00 C ATOM 958 C LYS A 57 20.157 -21.767 -8.989 1.00 0.00 C ATOM 959 O LYS A 57 20.342 -22.837 -9.566 1.00 0.00 O ATOM 960 CB LYS A 57 22.081 -20.377 -8.121 1.00 0.00 C ATOM 961 CG LYS A 57 22.994 -21.551 -7.742 1.00 0.00 C ATOM 962 CD LYS A 57 24.031 -21.964 -8.802 1.00 0.00 C ATOM 963 CE LYS A 57 23.474 -22.949 -9.843 1.00 0.00 C ATOM 964 NZ LYS A 57 24.522 -23.428 -10.780 1.00 0.00 N ATOM 0 H LYS A 57 20.721 -18.602 -8.840 1.00 0.00 H new ATOM 0 HA LYS A 57 21.611 -20.852 -10.203 1.00 0.00 H new ATOM 0 HB2 LYS A 57 22.714 -19.526 -8.373 1.00 0.00 H new ATOM 0 HB3 LYS A 57 21.508 -20.097 -7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 57 23.523 -21.293 -6.825 1.00 0.00 H new ATOM 0 HG3 LYS A 57 22.369 -22.415 -7.517 1.00 0.00 H new ATOM 0 HD2 LYS A 57 24.394 -21.072 -9.313 1.00 0.00 H new ATOM 0 HD3 LYS A 57 24.888 -22.417 -8.305 1.00 0.00 H new ATOM 0 HE2 LYS A 57 23.029 -23.802 -9.331 1.00 0.00 H new ATOM 0 HE3 LYS A 57 22.677 -22.465 -10.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 24.101 -24.089 -11.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 24.930 -22.618 -11.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 25.270 -23.913 -10.245 1.00 0.00 H new ATOM 978 N GLU A 58 19.184 -21.593 -8.092 1.00 0.00 N ATOM 979 CA GLU A 58 18.365 -22.678 -7.565 1.00 0.00 C ATOM 980 C GLU A 58 17.053 -22.092 -7.034 1.00 0.00 C ATOM 981 O GLU A 58 17.006 -20.915 -6.668 1.00 0.00 O ATOM 982 CB GLU A 58 19.174 -23.382 -6.456 1.00 0.00 C ATOM 983 CG GLU A 58 18.481 -24.615 -5.868 1.00 0.00 C ATOM 984 CD GLU A 58 19.406 -25.387 -4.910 1.00 0.00 C ATOM 985 OE1 GLU A 58 20.160 -26.276 -5.368 1.00 0.00 O ATOM 986 OE2 GLU A 58 19.371 -25.131 -3.685 1.00 0.00 O ATOM 0 H GLU A 58 18.942 -20.680 -7.708 1.00 0.00 H new ATOM 0 HA GLU A 58 18.114 -23.410 -8.333 1.00 0.00 H new ATOM 0 HB2 GLU A 58 20.142 -23.679 -6.859 1.00 0.00 H new ATOM 0 HB3 GLU A 58 19.368 -22.670 -5.654 1.00 0.00 H new ATOM 0 HG2 GLU A 58 17.581 -24.307 -5.335 1.00 0.00 H new ATOM 0 HG3 GLU A 58 18.163 -25.274 -6.676 1.00 0.00 H new ATOM 993 N ILE A 59 15.991 -22.903 -6.975 1.00 0.00 N ATOM 994 CA ILE A 59 14.647 -22.476 -6.577 1.00 0.00 C ATOM 995 C ILE A 59 14.595 -21.912 -5.147 1.00 0.00 C ATOM 996 O ILE A 59 13.847 -20.969 -4.877 1.00 0.00 O ATOM 997 CB ILE A 59 13.636 -23.633 -6.790 1.00 0.00 C ATOM 998 CG1 ILE A 59 13.815 -24.807 -5.793 1.00 0.00 C ATOM 999 CG2 ILE A 59 13.699 -24.152 -8.238 1.00 0.00 C ATOM 1000 CD1 ILE A 59 12.837 -25.970 -6.003 1.00 0.00 C ATOM 0 H ILE A 59 16.044 -23.895 -7.208 1.00 0.00 H new ATOM 0 HA ILE A 59 14.360 -21.645 -7.222 1.00 0.00 H new ATOM 0 HB ILE A 59 12.651 -23.208 -6.595 1.00 0.00 H new ATOM 0 HG12 ILE A 59 14.834 -25.185 -5.875 1.00 0.00 H new ATOM 0 HG13 ILE A 59 13.697 -24.427 -4.778 1.00 0.00 H new ATOM 0 HG21 ILE A 59 12.982 -24.963 -8.365 1.00 0.00 H new ATOM 0 HG22 ILE A 59 13.456 -23.342 -8.926 1.00 0.00 H new ATOM 0 HG23 ILE A 59 14.703 -24.519 -8.450 1.00 0.00 H new ATOM 0 HD11 ILE A 59 13.032 -26.747 -5.264 1.00 0.00 H new ATOM 0 HD12 ILE A 59 11.814 -25.610 -5.890 1.00 0.00 H new ATOM 0 HD13 ILE A 59 12.969 -26.380 -7.004 1.00 0.00 H new ATOM 1012 N GLY A 60 15.400 -22.453 -4.226 1.00 0.00 N ATOM 1013 CA GLY A 60 15.450 -21.966 -2.853 1.00 0.00 C ATOM 1014 C GLY A 60 16.142 -20.609 -2.801 1.00 0.00 C ATOM 1015 O GLY A 60 15.688 -19.701 -2.106 1.00 0.00 O ATOM 0 H GLY A 60 16.028 -23.234 -4.414 1.00 0.00 H new ATOM 0 HA2 GLY A 60 14.440 -21.883 -2.452 1.00 0.00 H new ATOM 0 HA3 GLY A 60 15.984 -22.679 -2.226 1.00 0.00 H new ATOM 1019 N SER A 61 17.199 -20.439 -3.593 1.00 0.00 N ATOM 1020 CA SER A 61 17.947 -19.196 -3.690 1.00 0.00 C ATOM 1021 C SER A 61 17.086 -18.104 -4.335 1.00 0.00 C ATOM 1022 O SER A 61 17.066 -16.973 -3.850 1.00 0.00 O ATOM 1023 CB SER A 61 19.234 -19.457 -4.481 1.00 0.00 C ATOM 1024 OG SER A 61 19.879 -20.635 -4.018 1.00 0.00 O ATOM 0 H SER A 61 17.563 -21.178 -4.195 1.00 0.00 H new ATOM 0 HA SER A 61 18.217 -18.839 -2.696 1.00 0.00 H new ATOM 0 HB2 SER A 61 19.001 -19.557 -5.541 1.00 0.00 H new ATOM 0 HB3 SER A 61 19.907 -18.605 -4.381 1.00 0.00 H new ATOM 0 HG SER A 61 20.697 -20.785 -4.536 1.00 0.00 H new ATOM 1030 N ALA A 62 16.308 -18.455 -5.367 1.00 0.00 N ATOM 1031 CA ALA A 62 15.316 -17.574 -5.969 1.00 0.00 C ATOM 1032 C ALA A 62 14.303 -17.120 -4.917 1.00 0.00 C ATOM 1033 O ALA A 62 14.043 -15.924 -4.787 1.00 0.00 O ATOM 1034 CB ALA A 62 14.591 -18.320 -7.092 1.00 0.00 C ATOM 0 H ALA A 62 16.356 -19.373 -5.809 1.00 0.00 H new ATOM 0 HA ALA A 62 15.819 -16.696 -6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.848 -17.663 -7.544 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.312 -18.628 -7.849 1.00 0.00 H new ATOM 0 HB3 ALA A 62 14.096 -19.201 -6.683 1.00 0.00 H new ATOM 1040 N SER A 63 13.762 -18.065 -4.141 1.00 0.00 N ATOM 1041 CA SER A 63 12.801 -17.764 -3.085 1.00 0.00 C ATOM 1042 C SER A 63 13.407 -16.827 -2.039 1.00 0.00 C ATOM 1043 O SER A 63 12.743 -15.893 -1.590 1.00 0.00 O ATOM 1044 CB SER A 63 12.307 -19.058 -2.429 1.00 0.00 C ATOM 1045 OG SER A 63 11.790 -19.947 -3.398 1.00 0.00 O ATOM 0 H SER A 63 13.980 -19.057 -4.230 1.00 0.00 H new ATOM 0 HA SER A 63 11.949 -17.255 -3.536 1.00 0.00 H new ATOM 0 HB2 SER A 63 13.127 -19.535 -1.892 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.537 -18.827 -1.693 1.00 0.00 H new ATOM 0 HG SER A 63 12.528 -20.433 -3.823 1.00 0.00 H new ATOM 1051 N ASN A 64 14.672 -17.043 -1.674 1.00 0.00 N ATOM 1052 CA ASN A 64 15.349 -16.218 -0.684 1.00 0.00 C ATOM 1053 C ASN A 64 15.550 -14.795 -1.194 1.00 0.00 C ATOM 1054 O ASN A 64 15.287 -13.851 -0.450 1.00 0.00 O ATOM 1055 CB ASN A 64 16.690 -16.829 -0.267 1.00 0.00 C ATOM 1056 CG ASN A 64 17.280 -16.017 0.881 1.00 0.00 C ATOM 1057 OD1 ASN A 64 16.848 -16.138 2.023 1.00 0.00 O ATOM 1058 ND2 ASN A 64 18.255 -15.167 0.610 1.00 0.00 N ATOM 0 H ASN A 64 15.249 -17.792 -2.057 1.00 0.00 H new ATOM 0 HA ASN A 64 14.706 -16.179 0.196 1.00 0.00 H new ATOM 0 HB2 ASN A 64 16.550 -17.866 0.040 1.00 0.00 H new ATOM 0 HB3 ASN A 64 17.378 -16.837 -1.113 1.00 0.00 H new ATOM 0 HD21 ASN A 64 18.659 -14.600 1.355 1.00 0.00 H new ATOM 0 HD22 ASN A 64 18.603 -15.078 -0.345 1.00 0.00 H new ATOM 1065 N ALA A 65 15.965 -14.626 -2.450 1.00 0.00 N ATOM 1066 CA ALA A 65 16.106 -13.322 -3.083 1.00 0.00 C ATOM 1067 C ALA A 65 14.758 -12.600 -3.082 1.00 0.00 C ATOM 1068 O ALA A 65 14.665 -11.471 -2.604 1.00 0.00 O ATOM 1069 CB ALA A 65 16.640 -13.493 -4.512 1.00 0.00 C ATOM 0 H ALA A 65 16.215 -15.404 -3.061 1.00 0.00 H new ATOM 0 HA ALA A 65 16.819 -12.717 -2.523 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.744 -12.515 -4.981 1.00 0.00 H new ATOM 0 HB2 ALA A 65 17.612 -13.985 -4.481 1.00 0.00 H new ATOM 0 HB3 ALA A 65 15.944 -14.101 -5.090 1.00 0.00 H new ATOM 1075 N LEU A 66 13.708 -13.279 -3.558 1.00 0.00 N ATOM 1076 CA LEU A 66 12.341 -12.769 -3.615 1.00 0.00 C ATOM 1077 C LEU A 66 11.924 -12.264 -2.235 1.00 0.00 C ATOM 1078 O LEU A 66 11.545 -11.104 -2.086 1.00 0.00 O ATOM 1079 CB LEU A 66 11.435 -13.908 -4.125 1.00 0.00 C ATOM 1080 CG LEU A 66 10.022 -13.539 -4.609 1.00 0.00 C ATOM 1081 CD1 LEU A 66 9.384 -14.802 -5.195 1.00 0.00 C ATOM 1082 CD2 LEU A 66 9.104 -12.966 -3.524 1.00 0.00 C ATOM 0 H LEU A 66 13.793 -14.227 -3.924 1.00 0.00 H new ATOM 0 HA LEU A 66 12.256 -11.924 -4.298 1.00 0.00 H new ATOM 0 HB2 LEU A 66 11.951 -14.404 -4.947 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.334 -14.640 -3.324 1.00 0.00 H new ATOM 0 HG LEU A 66 10.134 -12.744 -5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.379 -14.572 -5.548 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.988 -15.161 -6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.331 -15.573 -4.426 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.130 -12.735 -3.956 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.983 -13.699 -2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.545 -12.056 -3.117 1.00 0.00 H new ATOM 1094 N ARG A 67 12.041 -13.115 -1.212 1.00 0.00 N ATOM 1095 CA ARG A 67 11.632 -12.794 0.149 1.00 0.00 C ATOM 1096 C ARG A 67 12.427 -11.610 0.697 1.00 0.00 C ATOM 1097 O ARG A 67 11.847 -10.699 1.281 1.00 0.00 O ATOM 1098 CB ARG A 67 11.874 -14.040 1.026 1.00 0.00 C ATOM 1099 CG ARG A 67 11.470 -13.859 2.502 1.00 0.00 C ATOM 1100 CD ARG A 67 12.388 -14.643 3.453 1.00 0.00 C ATOM 1101 NE ARG A 67 13.771 -14.113 3.459 1.00 0.00 N ATOM 1102 CZ ARG A 67 14.689 -14.308 4.415 1.00 0.00 C ATOM 1103 NH1 ARG A 67 14.411 -15.039 5.492 1.00 0.00 N ATOM 1104 NH2 ARG A 67 15.887 -13.752 4.282 1.00 0.00 N ATOM 0 H ARG A 67 12.427 -14.054 -1.311 1.00 0.00 H new ATOM 0 HA ARG A 67 10.578 -12.516 0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.317 -14.879 0.608 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.930 -14.304 0.979 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.502 -12.800 2.759 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.440 -14.189 2.639 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.981 -14.603 4.463 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.404 -15.692 3.157 1.00 0.00 H new ATOM 0 HE ARG A 67 14.051 -13.546 2.659 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.488 -15.460 5.598 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.121 -15.178 6.211 1.00 0.00 H new ATOM 0 HH21 ARG A 67 16.098 -13.186 3.460 1.00 0.00 H new ATOM 0 HH22 ARG A 67 16.597 -13.891 5.001 1.00 0.00 H new ATOM 1118 N THR A 68 13.750 -11.638 0.560 1.00 0.00 N ATOM 1119 CA THR A 68 14.606 -10.657 1.213 1.00 0.00 C ATOM 1120 C THR A 68 14.455 -9.286 0.537 1.00 0.00 C ATOM 1121 O THR A 68 14.608 -8.260 1.204 1.00 0.00 O ATOM 1122 CB THR A 68 16.054 -11.175 1.242 1.00 0.00 C ATOM 1123 OG1 THR A 68 16.057 -12.509 1.724 1.00 0.00 O ATOM 1124 CG2 THR A 68 16.953 -10.368 2.177 1.00 0.00 C ATOM 0 H THR A 68 14.251 -12.330 0.002 1.00 0.00 H new ATOM 0 HA THR A 68 14.301 -10.517 2.250 1.00 0.00 H new ATOM 0 HB THR A 68 16.437 -11.093 0.225 1.00 0.00 H new ATOM 0 HG1 THR A 68 15.862 -13.124 0.986 1.00 0.00 H new ATOM 0 HG21 THR A 68 17.962 -10.779 2.156 1.00 0.00 H new ATOM 0 HG22 THR A 68 16.978 -9.328 1.850 1.00 0.00 H new ATOM 0 HG23 THR A 68 16.561 -10.419 3.193 1.00 0.00 H new ATOM 1132 N MET A 69 14.107 -9.251 -0.756 1.00 0.00 N ATOM 1133 CA MET A 69 14.059 -8.015 -1.523 1.00 0.00 C ATOM 1134 C MET A 69 12.640 -7.468 -1.692 1.00 0.00 C ATOM 1135 O MET A 69 12.510 -6.291 -2.027 1.00 0.00 O ATOM 1136 CB MET A 69 14.740 -8.220 -2.883 1.00 0.00 C ATOM 1137 CG MET A 69 16.228 -8.591 -2.760 1.00 0.00 C ATOM 1138 SD MET A 69 17.257 -7.415 -1.827 1.00 0.00 S ATOM 1139 CE MET A 69 17.146 -5.926 -2.862 1.00 0.00 C ATOM 0 H MET A 69 13.853 -10.081 -1.292 1.00 0.00 H new ATOM 0 HA MET A 69 14.603 -7.260 -0.956 1.00 0.00 H new ATOM 0 HB2 MET A 69 14.219 -9.006 -3.429 1.00 0.00 H new ATOM 0 HB3 MET A 69 14.646 -7.307 -3.471 1.00 0.00 H new ATOM 0 HG2 MET A 69 16.302 -9.569 -2.284 1.00 0.00 H new ATOM 0 HG3 MET A 69 16.643 -8.693 -3.763 1.00 0.00 H new ATOM 0 HE1 MET A 69 17.577 -5.079 -2.328 1.00 0.00 H new ATOM 0 HE2 MET A 69 17.694 -6.087 -3.791 1.00 0.00 H new ATOM 0 HE3 MET A 69 16.100 -5.718 -3.089 1.00 0.00 H new ATOM 1149 N GLN A 70 11.572 -8.243 -1.458 1.00 0.00 N ATOM 1150 CA GLN A 70 10.228 -7.670 -1.473 1.00 0.00 C ATOM 1151 C GLN A 70 10.133 -6.559 -0.417 1.00 0.00 C ATOM 1152 O GLN A 70 10.655 -6.681 0.693 1.00 0.00 O ATOM 1153 CB GLN A 70 9.110 -8.723 -1.350 1.00 0.00 C ATOM 1154 CG GLN A 70 9.157 -9.614 -0.102 1.00 0.00 C ATOM 1155 CD GLN A 70 7.822 -10.306 0.178 1.00 0.00 C ATOM 1156 OE1 GLN A 70 7.219 -10.101 1.229 1.00 0.00 O ATOM 1157 NE2 GLN A 70 7.323 -11.126 -0.735 1.00 0.00 N ATOM 0 H GLN A 70 11.613 -9.243 -1.261 1.00 0.00 H new ATOM 0 HA GLN A 70 10.061 -7.226 -2.454 1.00 0.00 H new ATOM 0 HB2 GLN A 70 8.150 -8.208 -1.368 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.144 -9.364 -2.231 1.00 0.00 H new ATOM 0 HG2 GLN A 70 9.934 -10.368 -0.228 1.00 0.00 H new ATOM 0 HG3 GLN A 70 9.437 -9.010 0.761 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.830 -11.290 -1.605 1.00 0.00 H new ATOM 0 HE22 GLN A 70 6.432 -11.593 -0.568 1.00 0.00 H new ATOM 1166 N GLY A 71 9.490 -5.455 -0.793 1.00 0.00 N ATOM 1167 CA GLY A 71 9.340 -4.259 0.027 1.00 0.00 C ATOM 1168 C GLY A 71 10.601 -3.390 0.116 1.00 0.00 C ATOM 1169 O GLY A 71 10.513 -2.281 0.647 1.00 0.00 O ATOM 0 H GLY A 71 9.045 -5.368 -1.707 1.00 0.00 H new ATOM 0 HA2 GLY A 71 8.526 -3.657 -0.376 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.047 -4.558 1.034 1.00 0.00 H new ATOM 1173 N PHE A 72 11.762 -3.839 -0.381 1.00 0.00 N ATOM 1174 CA PHE A 72 13.007 -3.077 -0.292 1.00 0.00 C ATOM 1175 C PHE A 72 12.895 -1.806 -1.151 1.00 0.00 C ATOM 1176 O PHE A 72 12.426 -1.909 -2.286 1.00 0.00 O ATOM 1177 CB PHE A 72 14.176 -3.954 -0.766 1.00 0.00 C ATOM 1178 CG PHE A 72 15.539 -3.305 -0.630 1.00 0.00 C ATOM 1179 CD1 PHE A 72 16.189 -3.279 0.619 1.00 0.00 C ATOM 1180 CD2 PHE A 72 16.162 -2.729 -1.754 1.00 0.00 C ATOM 1181 CE1 PHE A 72 17.453 -2.675 0.743 1.00 0.00 C ATOM 1182 CE2 PHE A 72 17.429 -2.131 -1.630 1.00 0.00 C ATOM 1183 CZ PHE A 72 18.074 -2.101 -0.381 1.00 0.00 C ATOM 0 H PHE A 72 11.860 -4.738 -0.854 1.00 0.00 H new ATOM 0 HA PHE A 72 13.189 -2.781 0.741 1.00 0.00 H new ATOM 0 HB2 PHE A 72 14.171 -4.884 -0.197 1.00 0.00 H new ATOM 0 HB3 PHE A 72 14.016 -4.219 -1.811 1.00 0.00 H new ATOM 0 HD1 PHE A 72 15.716 -3.723 1.482 1.00 0.00 H new ATOM 0 HD2 PHE A 72 15.666 -2.746 -2.713 1.00 0.00 H new ATOM 0 HE1 PHE A 72 17.948 -2.652 1.703 1.00 0.00 H new ATOM 0 HE2 PHE A 72 17.907 -1.695 -2.495 1.00 0.00 H new ATOM 0 HZ PHE A 72 19.045 -1.638 -0.285 1.00 0.00 H new ATOM 1193 N PRO A 73 13.309 -0.620 -0.670 1.00 0.00 N ATOM 1194 CA PRO A 73 13.305 0.612 -1.452 1.00 0.00 C ATOM 1195 C PRO A 73 14.480 0.617 -2.445 1.00 0.00 C ATOM 1196 O PRO A 73 15.525 1.220 -2.196 1.00 0.00 O ATOM 1197 CB PRO A 73 13.352 1.739 -0.419 1.00 0.00 C ATOM 1198 CG PRO A 73 14.150 1.127 0.731 1.00 0.00 C ATOM 1199 CD PRO A 73 13.745 -0.346 0.694 1.00 0.00 C ATOM 0 HA PRO A 73 12.421 0.728 -2.079 1.00 0.00 H new ATOM 0 HB2 PRO A 73 13.838 2.630 -0.817 1.00 0.00 H new ATOM 0 HB3 PRO A 73 12.352 2.036 -0.102 1.00 0.00 H new ATOM 0 HG2 PRO A 73 15.223 1.253 0.588 1.00 0.00 H new ATOM 0 HG3 PRO A 73 13.899 1.589 1.686 1.00 0.00 H new ATOM 0 HD2 PRO A 73 14.583 -0.986 0.970 1.00 0.00 H new ATOM 0 HD3 PRO A 73 12.944 -0.546 1.405 1.00 0.00 H new ATOM 1207 N PHE A 74 14.328 -0.105 -3.556 1.00 0.00 N ATOM 1208 CA PHE A 74 15.412 -0.387 -4.502 1.00 0.00 C ATOM 1209 C PHE A 74 15.910 0.898 -5.167 1.00 0.00 C ATOM 1210 O PHE A 74 17.118 1.110 -5.269 1.00 0.00 O ATOM 1211 CB PHE A 74 14.893 -1.413 -5.514 1.00 0.00 C ATOM 1212 CG PHE A 74 15.883 -2.016 -6.491 1.00 0.00 C ATOM 1213 CD1 PHE A 74 16.817 -2.974 -6.047 1.00 0.00 C ATOM 1214 CD2 PHE A 74 15.770 -1.747 -7.870 1.00 0.00 C ATOM 1215 CE1 PHE A 74 17.606 -3.675 -6.976 1.00 0.00 C ATOM 1216 CE2 PHE A 74 16.572 -2.438 -8.795 1.00 0.00 C ATOM 1217 CZ PHE A 74 17.469 -3.423 -8.350 1.00 0.00 C ATOM 0 H PHE A 74 13.436 -0.517 -3.829 1.00 0.00 H new ATOM 0 HA PHE A 74 16.277 -0.803 -3.985 1.00 0.00 H new ATOM 0 HB2 PHE A 74 14.436 -2.230 -4.956 1.00 0.00 H new ATOM 0 HB3 PHE A 74 14.100 -0.939 -6.093 1.00 0.00 H new ATOM 0 HD1 PHE A 74 16.927 -3.170 -4.991 1.00 0.00 H new ATOM 0 HD2 PHE A 74 15.064 -1.007 -8.217 1.00 0.00 H new ATOM 0 HE1 PHE A 74 18.319 -4.409 -6.632 1.00 0.00 H new ATOM 0 HE2 PHE A 74 16.498 -2.211 -9.848 1.00 0.00 H new ATOM 0 HZ PHE A 74 18.052 -3.986 -9.064 1.00 0.00 H new ATOM 1227 N TYR A 75 14.974 1.778 -5.535 1.00 0.00 N ATOM 1228 CA TYR A 75 15.216 3.141 -5.991 1.00 0.00 C ATOM 1229 C TYR A 75 14.043 3.974 -5.493 1.00 0.00 C ATOM 1230 O TYR A 75 13.184 4.398 -6.269 1.00 0.00 O ATOM 1231 CB TYR A 75 15.424 3.201 -7.515 1.00 0.00 C ATOM 1232 CG TYR A 75 16.861 2.951 -7.930 1.00 0.00 C ATOM 1233 CD1 TYR A 75 17.812 3.981 -7.788 1.00 0.00 C ATOM 1234 CD2 TYR A 75 17.253 1.704 -8.453 1.00 0.00 C ATOM 1235 CE1 TYR A 75 19.148 3.773 -8.170 1.00 0.00 C ATOM 1236 CE2 TYR A 75 18.588 1.487 -8.835 1.00 0.00 C ATOM 1237 CZ TYR A 75 19.543 2.522 -8.698 1.00 0.00 C ATOM 1238 OH TYR A 75 20.836 2.307 -9.072 1.00 0.00 O ATOM 0 H TYR A 75 13.981 1.544 -5.521 1.00 0.00 H new ATOM 0 HA TYR A 75 16.144 3.545 -5.586 1.00 0.00 H new ATOM 0 HB2 TYR A 75 14.780 2.462 -7.993 1.00 0.00 H new ATOM 0 HB3 TYR A 75 15.112 4.179 -7.880 1.00 0.00 H new ATOM 0 HD1 TYR A 75 17.512 4.936 -7.383 1.00 0.00 H new ATOM 0 HD2 TYR A 75 16.526 0.912 -8.561 1.00 0.00 H new ATOM 0 HE1 TYR A 75 19.872 4.567 -8.061 1.00 0.00 H new ATOM 0 HE2 TYR A 75 18.885 0.528 -9.234 1.00 0.00 H new ATOM 0 HH TYR A 75 20.931 1.393 -9.412 1.00 0.00 H new ATOM 1248 N ASP A 76 13.968 4.096 -4.164 1.00 0.00 N ATOM 1249 CA ASP A 76 12.901 4.701 -3.353 1.00 0.00 C ATOM 1250 C ASP A 76 11.565 3.953 -3.415 1.00 0.00 C ATOM 1251 O ASP A 76 10.879 3.851 -2.396 1.00 0.00 O ATOM 1252 CB ASP A 76 12.720 6.191 -3.674 1.00 0.00 C ATOM 1253 CG ASP A 76 11.649 6.827 -2.772 1.00 0.00 C ATOM 1254 OD1 ASP A 76 11.935 7.092 -1.583 1.00 0.00 O ATOM 1255 OD2 ASP A 76 10.529 7.101 -3.258 1.00 0.00 O ATOM 0 H ASP A 76 14.720 3.742 -3.573 1.00 0.00 H new ATOM 0 HA ASP A 76 13.241 4.609 -2.321 1.00 0.00 H new ATOM 0 HB2 ASP A 76 13.668 6.712 -3.541 1.00 0.00 H new ATOM 0 HB3 ASP A 76 12.436 6.309 -4.720 1.00 0.00 H new ATOM 1260 N LYS A 77 11.208 3.373 -4.563 1.00 0.00 N ATOM 1261 CA LYS A 77 9.998 2.573 -4.710 1.00 0.00 C ATOM 1262 C LYS A 77 10.181 1.276 -3.919 1.00 0.00 C ATOM 1263 O LYS A 77 11.187 0.596 -4.149 1.00 0.00 O ATOM 1264 CB LYS A 77 9.718 2.264 -6.192 1.00 0.00 C ATOM 1265 CG LYS A 77 9.484 3.498 -7.081 1.00 0.00 C ATOM 1266 CD LYS A 77 8.313 4.382 -6.626 1.00 0.00 C ATOM 1267 CE LYS A 77 8.085 5.512 -7.640 1.00 0.00 C ATOM 1268 NZ LYS A 77 6.969 6.407 -7.244 1.00 0.00 N ATOM 0 H LYS A 77 11.756 3.448 -5.420 1.00 0.00 H new ATOM 0 HA LYS A 77 9.143 3.129 -4.326 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.559 1.699 -6.595 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.841 1.619 -6.254 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.394 4.098 -7.099 1.00 0.00 H new ATOM 0 HG3 LYS A 77 9.300 3.167 -8.103 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.409 3.781 -6.529 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.524 4.802 -5.642 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.999 6.097 -7.740 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.873 5.082 -8.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 6.853 7.154 -7.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.090 5.856 -7.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.181 6.840 -6.322 1.00 0.00 H new ATOM 1282 N PRO A 78 9.254 0.905 -3.018 1.00 0.00 N ATOM 1283 CA PRO A 78 9.296 -0.389 -2.360 1.00 0.00 C ATOM 1284 C PRO A 78 8.996 -1.457 -3.410 1.00 0.00 C ATOM 1285 O PRO A 78 7.953 -1.413 -4.069 1.00 0.00 O ATOM 1286 CB PRO A 78 8.242 -0.328 -1.251 1.00 0.00 C ATOM 1287 CG PRO A 78 7.227 0.692 -1.766 1.00 0.00 C ATOM 1288 CD PRO A 78 8.072 1.651 -2.605 1.00 0.00 C ATOM 0 HA PRO A 78 10.263 -0.634 -1.920 1.00 0.00 H new ATOM 0 HB2 PRO A 78 7.781 -1.301 -1.084 1.00 0.00 H new ATOM 0 HB3 PRO A 78 8.678 -0.014 -0.302 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.449 0.216 -2.363 1.00 0.00 H new ATOM 0 HG3 PRO A 78 6.728 1.210 -0.947 1.00 0.00 H new ATOM 0 HD2 PRO A 78 7.513 2.004 -3.472 1.00 0.00 H new ATOM 0 HD3 PRO A 78 8.351 2.531 -2.026 1.00 0.00 H new ATOM 1296 N MET A 79 9.916 -2.399 -3.595 1.00 0.00 N ATOM 1297 CA MET A 79 9.773 -3.466 -4.576 1.00 0.00 C ATOM 1298 C MET A 79 8.527 -4.294 -4.272 1.00 0.00 C ATOM 1299 O MET A 79 8.180 -4.512 -3.110 1.00 0.00 O ATOM 1300 CB MET A 79 11.022 -4.357 -4.554 1.00 0.00 C ATOM 1301 CG MET A 79 12.245 -3.610 -5.086 1.00 0.00 C ATOM 1302 SD MET A 79 12.298 -3.391 -6.888 1.00 0.00 S ATOM 1303 CE MET A 79 13.565 -4.624 -7.288 1.00 0.00 C ATOM 0 H MET A 79 10.786 -2.442 -3.065 1.00 0.00 H new ATOM 0 HA MET A 79 9.666 -3.029 -5.569 1.00 0.00 H new ATOM 0 HB2 MET A 79 11.213 -4.694 -3.535 1.00 0.00 H new ATOM 0 HB3 MET A 79 10.847 -5.248 -5.157 1.00 0.00 H new ATOM 0 HG2 MET A 79 12.283 -2.627 -4.616 1.00 0.00 H new ATOM 0 HG3 MET A 79 13.141 -4.147 -4.775 1.00 0.00 H new ATOM 0 HE1 MET A 79 13.902 -4.480 -8.315 1.00 0.00 H new ATOM 0 HE2 MET A 79 14.410 -4.510 -6.609 1.00 0.00 H new ATOM 0 HE3 MET A 79 13.146 -5.624 -7.181 1.00 0.00 H new ATOM 1313 N GLN A 80 7.903 -4.824 -5.317 1.00 0.00 N ATOM 1314 CA GLN A 80 6.814 -5.783 -5.231 1.00 0.00 C ATOM 1315 C GLN A 80 7.283 -6.936 -6.104 1.00 0.00 C ATOM 1316 O GLN A 80 7.762 -6.693 -7.216 1.00 0.00 O ATOM 1317 CB GLN A 80 5.501 -5.159 -5.733 1.00 0.00 C ATOM 1318 CG GLN A 80 5.032 -3.990 -4.848 1.00 0.00 C ATOM 1319 CD GLN A 80 3.754 -3.330 -5.376 1.00 0.00 C ATOM 1320 OE1 GLN A 80 2.779 -3.995 -5.719 1.00 0.00 O ATOM 1321 NE2 GLN A 80 3.722 -2.008 -5.458 1.00 0.00 N ATOM 0 H GLN A 80 8.151 -4.589 -6.278 1.00 0.00 H new ATOM 0 HA GLN A 80 6.598 -6.109 -4.213 1.00 0.00 H new ATOM 0 HB2 GLN A 80 5.637 -4.806 -6.755 1.00 0.00 H new ATOM 0 HB3 GLN A 80 4.725 -5.924 -5.761 1.00 0.00 H new ATOM 0 HG2 GLN A 80 4.858 -4.353 -3.835 1.00 0.00 H new ATOM 0 HG3 GLN A 80 5.824 -3.244 -4.788 1.00 0.00 H new ATOM 0 HE21 GLN A 80 4.533 -1.460 -5.172 1.00 0.00 H new ATOM 0 HE22 GLN A 80 2.886 -1.539 -5.807 1.00 0.00 H new ATOM 1330 N ILE A 81 7.236 -8.162 -5.587 1.00 0.00 N ATOM 1331 CA ILE A 81 7.853 -9.317 -6.229 1.00 0.00 C ATOM 1332 C ILE A 81 6.935 -10.524 -6.018 1.00 0.00 C ATOM 1333 O ILE A 81 6.273 -10.635 -4.982 1.00 0.00 O ATOM 1334 CB ILE A 81 9.281 -9.584 -5.670 1.00 0.00 C ATOM 1335 CG1 ILE A 81 10.086 -8.307 -5.324 1.00 0.00 C ATOM 1336 CG2 ILE A 81 10.060 -10.438 -6.688 1.00 0.00 C ATOM 1337 CD1 ILE A 81 11.551 -8.537 -4.939 1.00 0.00 C ATOM 0 H ILE A 81 6.767 -8.381 -4.708 1.00 0.00 H new ATOM 0 HA ILE A 81 7.973 -9.126 -7.295 1.00 0.00 H new ATOM 0 HB ILE A 81 9.152 -10.109 -4.723 1.00 0.00 H new ATOM 0 HG12 ILE A 81 10.055 -7.635 -6.182 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.588 -7.796 -4.500 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.063 -10.632 -6.308 1.00 0.00 H new ATOM 0 HG22 ILE A 81 9.541 -11.384 -6.842 1.00 0.00 H new ATOM 0 HG23 ILE A 81 10.128 -9.903 -7.635 1.00 0.00 H new ATOM 0 HD11 ILE A 81 12.023 -7.580 -4.716 1.00 0.00 H new ATOM 0 HD12 ILE A 81 11.600 -9.179 -4.060 1.00 0.00 H new ATOM 0 HD13 ILE A 81 12.074 -9.016 -5.767 1.00 0.00 H new ATOM 1349 N ALA A 82 6.928 -11.437 -6.987 1.00 0.00 N ATOM 1350 CA ALA A 82 6.247 -12.723 -6.958 1.00 0.00 C ATOM 1351 C ALA A 82 7.106 -13.738 -7.718 1.00 0.00 C ATOM 1352 O ALA A 82 8.096 -13.375 -8.354 1.00 0.00 O ATOM 1353 CB ALA A 82 4.861 -12.583 -7.605 1.00 0.00 C ATOM 0 H ALA A 82 7.428 -11.287 -7.863 1.00 0.00 H new ATOM 0 HA ALA A 82 6.109 -13.064 -5.932 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.351 -13.546 -7.584 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.274 -11.849 -7.053 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.973 -12.255 -8.638 1.00 0.00 H new ATOM 1359 N TYR A 83 6.747 -15.018 -7.651 1.00 0.00 N ATOM 1360 CA TYR A 83 7.342 -16.048 -8.496 1.00 0.00 C ATOM 1361 C TYR A 83 6.757 -15.892 -9.907 1.00 0.00 C ATOM 1362 O TYR A 83 5.590 -15.526 -10.056 1.00 0.00 O ATOM 1363 CB TYR A 83 7.071 -17.437 -7.890 1.00 0.00 C ATOM 1364 CG TYR A 83 5.660 -17.663 -7.364 1.00 0.00 C ATOM 1365 CD1 TYR A 83 5.333 -17.288 -6.045 1.00 0.00 C ATOM 1366 CD2 TYR A 83 4.668 -18.215 -8.194 1.00 0.00 C ATOM 1367 CE1 TYR A 83 4.025 -17.469 -5.556 1.00 0.00 C ATOM 1368 CE2 TYR A 83 3.363 -18.413 -7.711 1.00 0.00 C ATOM 1369 CZ TYR A 83 3.033 -18.037 -6.390 1.00 0.00 C ATOM 1370 OH TYR A 83 1.759 -18.212 -5.940 1.00 0.00 O ATOM 0 H TYR A 83 6.036 -15.369 -7.010 1.00 0.00 H new ATOM 0 HA TYR A 83 8.425 -15.942 -8.556 1.00 0.00 H new ATOM 0 HB2 TYR A 83 7.282 -18.191 -8.648 1.00 0.00 H new ATOM 0 HB3 TYR A 83 7.774 -17.601 -7.073 1.00 0.00 H new ATOM 0 HD1 TYR A 83 6.090 -16.859 -5.406 1.00 0.00 H new ATOM 0 HD2 TYR A 83 4.911 -18.489 -9.210 1.00 0.00 H new ATOM 0 HE1 TYR A 83 3.779 -17.175 -4.546 1.00 0.00 H new ATOM 0 HE2 TYR A 83 2.612 -18.853 -8.350 1.00 0.00 H new ATOM 0 HH TYR A 83 1.214 -18.614 -6.648 1.00 0.00 H new