USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 618 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 63 THR OG1 : rot 180:sc= 0.0111 USER MOD Set 1.2: A 64 SER OG : rot -133:sc= 0.343 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0.817 K(o=0.82,f=-0.65) USER MOD Single : A 14 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 18 GLN : amide:sc= 1.22 K(o=1.2,f=-0.0086) USER MOD Single : A 20 ASN : amide:sc= -0.489 X(o=-0.49,f=-0.14) USER MOD Single : A 25 LYS NZ :NH3+ -157:sc= 1.28 (180deg=1.09) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 163:sc= 1.07 (180deg=0.636) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -159:sc= 1.12 (180deg=0.312) USER MOD Single : A 55 LYS NZ :NH3+ -167:sc= 1.28 (180deg=1.13) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 65 SER OG : rot 180:sc= 0.112 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 ASN : amide:sc=-0.00701 X(o=-0.007,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0102 USER MOD Single : A 75 ASN :FLIP amide:sc= 0.543 F(o=0,f=0.54) USER MOD Single : A 80 MET CE :methyl -171:sc= -3.51! (180deg=-3.73) USER MOD Single : A 81 ASN : amide:sc= -0.244 K(o=-0.24,f=-0.77) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 40:sc= -0.553 USER MOD Single : A 87 LYS NZ :NH3+ 167:sc= -0.0394 (180deg=-0.212) USER MOD Single : A 88 MET CE :methyl 165:sc= -0.069 (180deg=-0.365) USER MOD Single : A 90 LYS NZ :NH3+ 156:sc= 1.26 (180deg=0.856) USER MOD Single : A 93 MET CE :methyl -147:sc= -0.187 (180deg=-1.84) USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 9 6.323 1.585 -7.651 1.00 0.00 N ATOM 94 CA GLU A 9 4.931 1.232 -7.777 1.00 0.00 C ATOM 95 C GLU A 9 4.811 -0.277 -8.017 1.00 0.00 C ATOM 96 O GLU A 9 3.853 -0.914 -7.577 1.00 0.00 O ATOM 97 CB GLU A 9 4.279 2.045 -8.898 1.00 0.00 C ATOM 98 CG GLU A 9 2.782 1.802 -9.065 1.00 0.00 C ATOM 99 CD GLU A 9 2.219 2.435 -10.316 1.00 0.00 C ATOM 100 OE1 GLU A 9 2.486 1.920 -11.414 1.00 0.00 O ATOM 101 OE2 GLU A 9 1.447 3.418 -10.233 1.00 0.00 O ATOM 0 HA GLU A 9 4.401 1.472 -6.855 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.443 3.105 -8.704 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.780 1.812 -9.838 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.594 0.729 -9.091 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.256 2.197 -8.196 1.00 0.00 H new ATOM 108 N TRP A 10 5.837 -0.844 -8.655 1.00 0.00 N ATOM 109 CA TRP A 10 5.914 -2.275 -8.882 1.00 0.00 C ATOM 110 C TRP A 10 5.935 -3.033 -7.563 1.00 0.00 C ATOM 111 O TRP A 10 5.223 -4.014 -7.402 1.00 0.00 O ATOM 112 CB TRP A 10 7.163 -2.660 -9.713 1.00 0.00 C ATOM 113 CG TRP A 10 7.439 -4.152 -9.765 1.00 0.00 C ATOM 114 CD1 TRP A 10 6.928 -5.054 -10.640 1.00 0.00 C ATOM 115 CD2 TRP A 10 8.291 -4.903 -8.873 1.00 0.00 C ATOM 116 NE1 TRP A 10 7.399 -6.314 -10.351 1.00 0.00 N ATOM 117 CE2 TRP A 10 8.233 -6.246 -9.268 1.00 0.00 C ATOM 118 CE3 TRP A 10 9.086 -4.560 -7.777 1.00 0.00 C ATOM 119 CZ2 TRP A 10 8.941 -7.248 -8.605 1.00 0.00 C ATOM 120 CZ3 TRP A 10 9.782 -5.547 -7.121 1.00 0.00 C ATOM 121 CH2 TRP A 10 9.708 -6.875 -7.532 1.00 0.00 C ATOM 0 H TRP A 10 6.631 -0.321 -9.024 1.00 0.00 H new ATOM 0 HA TRP A 10 5.024 -2.553 -9.447 1.00 0.00 H new ATOM 0 HB2 TRP A 10 7.037 -2.289 -10.730 1.00 0.00 H new ATOM 0 HB3 TRP A 10 8.034 -2.155 -9.295 1.00 0.00 H new ATOM 0 HD1 TRP A 10 6.250 -4.817 -11.447 1.00 0.00 H new ATOM 0 HE1 TRP A 10 7.164 -7.164 -10.863 1.00 0.00 H new ATOM 0 HE3 TRP A 10 9.153 -3.533 -7.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 8.887 -8.278 -8.925 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 10.397 -5.288 -6.272 1.00 0.00 H new ATOM 0 HH2 TRP A 10 10.266 -7.627 -6.994 1.00 0.00 H new ATOM 132 N THR A 11 6.738 -2.580 -6.615 1.00 0.00 N ATOM 133 CA THR A 11 6.886 -3.311 -5.381 1.00 0.00 C ATOM 134 C THR A 11 5.579 -3.328 -4.635 1.00 0.00 C ATOM 135 O THR A 11 5.135 -4.373 -4.155 1.00 0.00 O ATOM 136 CB THR A 11 7.967 -2.726 -4.466 1.00 0.00 C ATOM 137 OG1 THR A 11 9.156 -2.407 -5.217 1.00 0.00 O ATOM 138 CG2 THR A 11 8.326 -3.767 -3.427 1.00 0.00 C ATOM 0 H THR A 11 7.287 -1.723 -6.679 1.00 0.00 H new ATOM 0 HA THR A 11 7.192 -4.321 -5.654 1.00 0.00 H new ATOM 0 HB THR A 11 7.585 -1.816 -4.003 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.833 -2.034 -4.615 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.095 -3.370 -2.765 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.440 -4.020 -2.844 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.701 -4.662 -3.923 1.00 0.00 H new ATOM 146 N LEU A 12 4.951 -2.183 -4.606 1.00 0.00 N ATOM 147 CA LEU A 12 3.704 -2.023 -3.935 1.00 0.00 C ATOM 148 C LEU A 12 2.632 -2.890 -4.591 1.00 0.00 C ATOM 149 O LEU A 12 1.915 -3.633 -3.909 1.00 0.00 O ATOM 150 CB LEU A 12 3.278 -0.579 -4.007 1.00 0.00 C ATOM 151 CG LEU A 12 4.148 0.429 -3.285 1.00 0.00 C ATOM 152 CD1 LEU A 12 3.584 1.820 -3.478 1.00 0.00 C ATOM 153 CD2 LEU A 12 4.243 0.086 -1.808 1.00 0.00 C ATOM 0 H LEU A 12 5.299 -1.334 -5.052 1.00 0.00 H new ATOM 0 HA LEU A 12 3.824 -2.328 -2.895 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.227 -0.292 -5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.267 -0.503 -3.606 1.00 0.00 H new ATOM 0 HG LEU A 12 5.154 0.397 -3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.212 2.543 -2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.561 2.059 -4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.572 1.862 -3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.872 0.820 -1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.246 0.098 -1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.679 -0.906 -1.692 1.00 0.00 H new ATOM 165 N GLN A 13 2.550 -2.820 -5.933 1.00 0.00 N ATOM 166 CA GLN A 13 1.537 -3.561 -6.660 1.00 0.00 C ATOM 167 C GLN A 13 1.722 -5.048 -6.477 1.00 0.00 C ATOM 168 O GLN A 13 0.788 -5.727 -6.235 1.00 0.00 O ATOM 169 CB GLN A 13 1.466 -3.202 -8.166 1.00 0.00 C ATOM 170 CG GLN A 13 2.604 -3.702 -9.014 1.00 0.00 C ATOM 171 CD GLN A 13 2.445 -3.350 -10.458 1.00 0.00 C ATOM 172 OE1 GLN A 13 2.880 -2.303 -10.903 1.00 0.00 O ATOM 173 NE2 GLN A 13 1.832 -4.227 -11.203 1.00 0.00 N ATOM 0 H GLN A 13 3.171 -2.261 -6.518 1.00 0.00 H new ATOM 0 HA GLN A 13 0.581 -3.262 -6.229 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.535 -3.598 -8.571 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.418 -2.117 -8.259 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.539 -3.283 -8.643 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.678 -4.785 -8.914 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.483 -5.092 -10.790 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.702 -4.048 -12.199 1.00 0.00 H new ATOM 182 N THR A 14 2.958 -5.511 -6.503 1.00 0.00 N ATOM 183 CA THR A 14 3.272 -6.928 -6.384 1.00 0.00 C ATOM 184 C THR A 14 2.747 -7.526 -5.054 1.00 0.00 C ATOM 185 O THR A 14 2.375 -8.694 -4.985 1.00 0.00 O ATOM 186 CB THR A 14 4.792 -7.118 -6.554 1.00 0.00 C ATOM 187 OG1 THR A 14 5.160 -6.591 -7.836 1.00 0.00 O ATOM 188 CG2 THR A 14 5.202 -8.569 -6.508 1.00 0.00 C ATOM 0 H THR A 14 3.778 -4.914 -6.608 1.00 0.00 H new ATOM 0 HA THR A 14 2.760 -7.478 -7.174 1.00 0.00 H new ATOM 0 HB THR A 14 5.291 -6.604 -5.733 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.367 -5.637 -7.750 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.282 -8.646 -6.633 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.916 -8.998 -5.547 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.704 -9.113 -7.311 1.00 0.00 H new ATOM 196 N LEU A 15 2.667 -6.707 -4.036 1.00 0.00 N ATOM 197 CA LEU A 15 2.126 -7.128 -2.757 1.00 0.00 C ATOM 198 C LEU A 15 0.607 -7.158 -2.852 1.00 0.00 C ATOM 199 O LEU A 15 -0.048 -8.156 -2.533 1.00 0.00 O ATOM 200 CB LEU A 15 2.522 -6.115 -1.704 1.00 0.00 C ATOM 201 CG LEU A 15 4.013 -5.836 -1.582 1.00 0.00 C ATOM 202 CD1 LEU A 15 4.243 -4.598 -0.743 1.00 0.00 C ATOM 203 CD2 LEU A 15 4.728 -7.030 -0.972 1.00 0.00 C ATOM 0 H LEU A 15 2.972 -5.734 -4.064 1.00 0.00 H new ATOM 0 HA LEU A 15 2.508 -8.115 -2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.012 -5.176 -1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.156 -6.461 -0.738 1.00 0.00 H new ATOM 0 HG LEU A 15 4.420 -5.664 -2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.313 -4.407 -0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.757 -3.744 -1.214 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.825 -4.750 0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.793 -6.814 -0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.322 -7.229 0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.582 -7.904 -1.606 1.00 0.00 H new ATOM 215 N LEU A 16 0.067 -6.076 -3.358 1.00 0.00 N ATOM 216 CA LEU A 16 -1.362 -5.868 -3.460 1.00 0.00 C ATOM 217 C LEU A 16 -2.001 -6.745 -4.572 1.00 0.00 C ATOM 218 O LEU A 16 -3.196 -6.944 -4.605 1.00 0.00 O ATOM 219 CB LEU A 16 -1.635 -4.374 -3.682 1.00 0.00 C ATOM 220 CG LEU A 16 -1.127 -3.416 -2.588 1.00 0.00 C ATOM 221 CD1 LEU A 16 -1.238 -1.979 -3.049 1.00 0.00 C ATOM 222 CD2 LEU A 16 -1.914 -3.593 -1.302 1.00 0.00 C ATOM 0 H LEU A 16 0.618 -5.297 -3.719 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.832 -6.181 -2.528 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.183 -4.081 -4.630 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.711 -4.235 -3.786 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.081 -3.656 -2.398 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.875 -1.316 -2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.639 -1.838 -3.949 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.280 -1.746 -3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.535 -2.905 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.967 -3.383 -1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.805 -4.618 -0.947 1.00 0.00 H new ATOM 234 N GLU A 17 -1.193 -7.240 -5.492 1.00 0.00 N ATOM 235 CA GLU A 17 -1.669 -8.159 -6.525 1.00 0.00 C ATOM 236 C GLU A 17 -1.758 -9.570 -5.964 1.00 0.00 C ATOM 237 O GLU A 17 -2.314 -10.478 -6.587 1.00 0.00 O ATOM 238 CB GLU A 17 -0.788 -8.119 -7.794 1.00 0.00 C ATOM 239 CG GLU A 17 -0.846 -6.783 -8.541 1.00 0.00 C ATOM 240 CD GLU A 17 -0.100 -6.790 -9.863 1.00 0.00 C ATOM 241 OE1 GLU A 17 1.122 -6.551 -9.881 1.00 0.00 O ATOM 242 OE2 GLU A 17 -0.741 -7.016 -10.920 1.00 0.00 O ATOM 0 H GLU A 17 -0.198 -7.023 -5.550 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.665 -7.834 -6.827 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.245 -8.325 -7.515 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.101 -8.916 -8.468 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.889 -6.524 -8.724 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.431 -6.002 -7.904 1.00 0.00 H new ATOM 249 N GLN A 18 -1.207 -9.743 -4.788 1.00 0.00 N ATOM 250 CA GLN A 18 -1.297 -10.986 -4.068 1.00 0.00 C ATOM 251 C GLN A 18 -2.438 -10.907 -3.065 1.00 0.00 C ATOM 252 O GLN A 18 -3.318 -11.761 -3.039 1.00 0.00 O ATOM 253 CB GLN A 18 0.029 -11.318 -3.388 1.00 0.00 C ATOM 254 CG GLN A 18 1.106 -11.783 -4.356 1.00 0.00 C ATOM 255 CD GLN A 18 2.437 -11.993 -3.681 1.00 0.00 C ATOM 256 OE1 GLN A 18 2.728 -13.069 -3.167 1.00 0.00 O ATOM 257 NE2 GLN A 18 3.261 -10.985 -3.704 1.00 0.00 N ATOM 0 H GLN A 18 -0.680 -9.018 -4.301 1.00 0.00 H new ATOM 0 HA GLN A 18 -1.507 -11.795 -4.768 1.00 0.00 H new ATOM 0 HB2 GLN A 18 0.386 -10.437 -2.855 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -0.138 -12.095 -2.642 1.00 0.00 H new ATOM 0 HG2 GLN A 18 0.790 -12.714 -4.826 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.218 -11.046 -5.151 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.981 -10.107 -4.141 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.187 -11.073 -3.285 1.00 0.00 H new ATOM 266 N LEU A 19 -2.455 -9.856 -2.280 1.00 0.00 N ATOM 267 CA LEU A 19 -3.521 -9.660 -1.318 1.00 0.00 C ATOM 268 C LEU A 19 -4.569 -8.745 -1.961 1.00 0.00 C ATOM 269 O LEU A 19 -4.287 -7.608 -2.256 1.00 0.00 O ATOM 270 CB LEU A 19 -2.955 -9.037 -0.007 1.00 0.00 C ATOM 271 CG LEU A 19 -2.626 -7.534 -0.040 1.00 0.00 C ATOM 272 CD1 LEU A 19 -3.736 -6.702 0.576 1.00 0.00 C ATOM 273 CD2 LEU A 19 -1.279 -7.204 0.527 1.00 0.00 C ATOM 0 H LEU A 19 -1.746 -9.123 -2.286 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.980 -10.612 -1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.677 -9.209 0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.048 -9.578 0.262 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.566 -7.262 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.466 -5.647 0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.661 -6.862 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.879 -6.999 1.615 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.114 -6.128 0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.234 -7.525 1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.507 -7.719 -0.045 1.00 0.00 H new ATOM 285 N ASN A 20 -5.742 -9.245 -2.246 1.00 0.00 N ATOM 286 CA ASN A 20 -6.753 -8.388 -2.872 1.00 0.00 C ATOM 287 C ASN A 20 -8.142 -8.955 -2.833 1.00 0.00 C ATOM 288 O ASN A 20 -9.016 -8.323 -2.247 1.00 0.00 O ATOM 289 CB ASN A 20 -6.354 -7.938 -4.307 1.00 0.00 C ATOM 290 CG ASN A 20 -6.079 -9.082 -5.253 1.00 0.00 C ATOM 291 OD1 ASN A 20 -6.925 -9.470 -6.054 1.00 0.00 O ATOM 292 ND2 ASN A 20 -4.936 -9.679 -5.091 1.00 0.00 N ATOM 0 H ASN A 20 -6.030 -10.207 -2.068 1.00 0.00 H new ATOM 0 HA ASN A 20 -6.780 -7.494 -2.249 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -7.153 -7.323 -4.720 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -5.466 -7.308 -4.246 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.711 -10.507 -5.642 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.264 -9.319 -4.413 1.00 0.00 H new ATOM 299 N GLU A 21 -8.309 -10.180 -3.351 1.00 0.00 N ATOM 300 CA GLU A 21 -9.619 -10.836 -3.559 1.00 0.00 C ATOM 301 C GLU A 21 -10.571 -10.613 -2.376 1.00 0.00 C ATOM 302 O GLU A 21 -11.654 -10.055 -2.538 1.00 0.00 O ATOM 303 CB GLU A 21 -9.405 -12.323 -3.848 1.00 0.00 C ATOM 304 CG GLU A 21 -10.648 -13.072 -4.274 1.00 0.00 C ATOM 305 CD GLU A 21 -10.360 -14.513 -4.602 1.00 0.00 C ATOM 306 OE1 GLU A 21 -9.981 -14.812 -5.751 1.00 0.00 O ATOM 307 OE2 GLU A 21 -10.518 -15.381 -3.712 1.00 0.00 O ATOM 0 H GLU A 21 -7.523 -10.760 -3.645 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.103 -10.378 -4.422 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.652 -12.422 -4.630 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.000 -12.798 -2.954 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.390 -13.024 -3.477 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.084 -12.583 -5.145 1.00 0.00 H new ATOM 314 N ASP A 22 -10.164 -11.023 -1.201 1.00 0.00 N ATOM 315 CA ASP A 22 -10.924 -10.715 0.012 1.00 0.00 C ATOM 316 C ASP A 22 -10.030 -10.056 1.018 1.00 0.00 C ATOM 317 O ASP A 22 -10.429 -9.765 2.137 1.00 0.00 O ATOM 318 CB ASP A 22 -11.569 -11.953 0.639 1.00 0.00 C ATOM 319 CG ASP A 22 -12.751 -12.474 -0.133 1.00 0.00 C ATOM 320 OD1 ASP A 22 -13.828 -11.878 -0.042 1.00 0.00 O ATOM 321 OD2 ASP A 22 -12.626 -13.489 -0.836 1.00 0.00 O ATOM 0 H ASP A 22 -9.317 -11.569 -1.046 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.730 -10.042 -0.281 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -10.821 -12.742 0.717 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.886 -11.712 1.654 1.00 0.00 H new ATOM 326 N GLU A 23 -8.841 -9.781 0.597 1.00 0.00 N ATOM 327 CA GLU A 23 -7.802 -9.277 1.480 1.00 0.00 C ATOM 328 C GLU A 23 -7.768 -7.769 1.476 1.00 0.00 C ATOM 329 O GLU A 23 -7.496 -7.140 2.499 1.00 0.00 O ATOM 330 CB GLU A 23 -6.463 -9.786 1.003 1.00 0.00 C ATOM 331 CG GLU A 23 -6.479 -11.245 0.634 1.00 0.00 C ATOM 332 CD GLU A 23 -6.806 -12.156 1.799 1.00 0.00 C ATOM 333 OE1 GLU A 23 -5.918 -12.405 2.649 1.00 0.00 O ATOM 334 OE2 GLU A 23 -7.949 -12.643 1.866 1.00 0.00 O ATOM 0 H GLU A 23 -8.545 -9.895 -0.372 1.00 0.00 H new ATOM 0 HA GLU A 23 -8.015 -9.622 2.492 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.147 -9.203 0.138 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.721 -9.624 1.785 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.210 -11.404 -0.158 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.505 -11.521 0.229 1.00 0.00 H new ATOM 341 N LEU A 24 -8.079 -7.179 0.326 1.00 0.00 N ATOM 342 CA LEU A 24 -7.991 -5.734 0.172 1.00 0.00 C ATOM 343 C LEU A 24 -9.032 -5.074 1.037 1.00 0.00 C ATOM 344 O LEU A 24 -8.849 -3.970 1.504 1.00 0.00 O ATOM 345 CB LEU A 24 -8.208 -5.326 -1.275 1.00 0.00 C ATOM 346 CG LEU A 24 -7.352 -4.169 -1.765 1.00 0.00 C ATOM 347 CD1 LEU A 24 -5.883 -4.574 -1.794 1.00 0.00 C ATOM 348 CD2 LEU A 24 -7.803 -3.717 -3.130 1.00 0.00 C ATOM 0 H LEU A 24 -8.392 -7.677 -0.507 1.00 0.00 H new ATOM 0 HA LEU A 24 -6.994 -5.416 0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.017 -6.191 -1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.257 -5.060 -1.406 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.469 -3.335 -1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.282 -3.736 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.563 -4.853 -0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.753 -5.422 -2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.178 -2.888 -3.464 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -7.715 -4.544 -3.835 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.842 -3.391 -3.081 1.00 0.00 H new ATOM 360 N LYS A 25 -10.099 -5.803 1.263 1.00 0.00 N ATOM 361 CA LYS A 25 -11.217 -5.388 2.085 1.00 0.00 C ATOM 362 C LYS A 25 -10.738 -5.037 3.496 1.00 0.00 C ATOM 363 O LYS A 25 -11.095 -3.991 4.046 1.00 0.00 O ATOM 364 CB LYS A 25 -12.218 -6.536 2.102 1.00 0.00 C ATOM 365 CG LYS A 25 -12.698 -6.885 0.705 1.00 0.00 C ATOM 366 CD LYS A 25 -13.478 -8.176 0.654 1.00 0.00 C ATOM 367 CE LYS A 25 -13.991 -8.412 -0.760 1.00 0.00 C ATOM 368 NZ LYS A 25 -14.842 -9.611 -0.878 1.00 0.00 N ATOM 0 H LYS A 25 -10.219 -6.735 0.867 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.689 -4.492 1.681 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.758 -7.413 2.558 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -13.072 -6.265 2.723 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.322 -6.075 0.329 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.838 -6.960 0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.845 -9.007 0.964 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.314 -8.134 1.352 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.558 -7.539 -1.084 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.142 -8.510 -1.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.840 -9.943 -1.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -14.473 -10.361 -0.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -15.814 -9.376 -0.594 1.00 0.00 H new ATOM 382 N SER A 26 -9.891 -5.891 4.043 1.00 0.00 N ATOM 383 CA SER A 26 -9.291 -5.694 5.304 1.00 0.00 C ATOM 384 C SER A 26 -8.360 -4.492 5.262 1.00 0.00 C ATOM 385 O SER A 26 -8.487 -3.564 6.067 1.00 0.00 O ATOM 386 CB SER A 26 -8.501 -6.935 5.594 1.00 0.00 C ATOM 387 OG SER A 26 -9.352 -8.063 5.698 1.00 0.00 O ATOM 0 H SER A 26 -9.608 -6.760 3.589 1.00 0.00 H new ATOM 0 HA SER A 26 -10.043 -5.508 6.071 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.769 -7.098 4.803 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.944 -6.808 6.522 1.00 0.00 H new ATOM 0 HG SER A 26 -8.815 -8.861 5.886 1.00 0.00 H new ATOM 393 N PHE A 27 -7.462 -4.513 4.282 1.00 0.00 N ATOM 394 CA PHE A 27 -6.460 -3.480 4.062 1.00 0.00 C ATOM 395 C PHE A 27 -7.103 -2.083 4.057 1.00 0.00 C ATOM 396 O PHE A 27 -6.645 -1.185 4.771 1.00 0.00 O ATOM 397 CB PHE A 27 -5.748 -3.771 2.727 1.00 0.00 C ATOM 398 CG PHE A 27 -4.643 -2.806 2.330 1.00 0.00 C ATOM 399 CD1 PHE A 27 -4.930 -1.570 1.765 1.00 0.00 C ATOM 400 CD2 PHE A 27 -3.317 -3.144 2.528 1.00 0.00 C ATOM 401 CE1 PHE A 27 -3.918 -0.698 1.413 1.00 0.00 C ATOM 402 CE2 PHE A 27 -2.300 -2.273 2.176 1.00 0.00 C ATOM 403 CZ PHE A 27 -2.602 -1.049 1.620 1.00 0.00 C ATOM 0 H PHE A 27 -7.411 -5.271 3.601 1.00 0.00 H new ATOM 0 HA PHE A 27 -5.732 -3.491 4.874 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -5.325 -4.774 2.776 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.496 -3.779 1.935 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.959 -1.287 1.599 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.071 -4.101 2.964 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.159 0.260 0.975 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.269 -2.553 2.337 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.810 -0.367 1.347 1.00 0.00 H new ATOM 413 N LYS A 28 -8.189 -1.939 3.286 1.00 0.00 N ATOM 414 CA LYS A 28 -8.942 -0.676 3.158 1.00 0.00 C ATOM 415 C LYS A 28 -9.375 -0.138 4.519 1.00 0.00 C ATOM 416 O LYS A 28 -9.242 1.046 4.804 1.00 0.00 O ATOM 417 CB LYS A 28 -10.188 -0.882 2.281 1.00 0.00 C ATOM 418 CG LYS A 28 -9.900 -1.196 0.823 1.00 0.00 C ATOM 419 CD LYS A 28 -11.164 -1.648 0.099 1.00 0.00 C ATOM 420 CE LYS A 28 -10.872 -2.021 -1.343 1.00 0.00 C ATOM 421 NZ LYS A 28 -12.034 -2.630 -2.025 1.00 0.00 N ATOM 0 H LYS A 28 -8.576 -2.700 2.727 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.276 0.051 2.693 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.780 -1.694 2.702 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.801 0.018 2.329 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.492 -0.313 0.331 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.142 -1.976 0.759 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.596 -2.504 0.618 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.906 -0.850 0.127 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.563 -1.129 -1.888 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.034 -2.718 -1.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.887 -2.600 -3.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.138 -3.618 -1.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.896 -2.100 -1.783 1.00 0.00 H new ATOM 435 N SER A 29 -9.835 -1.019 5.364 1.00 0.00 N ATOM 436 CA SER A 29 -10.337 -0.638 6.661 1.00 0.00 C ATOM 437 C SER A 29 -9.165 -0.311 7.592 1.00 0.00 C ATOM 438 O SER A 29 -9.267 0.539 8.464 1.00 0.00 O ATOM 439 CB SER A 29 -11.150 -1.806 7.235 1.00 0.00 C ATOM 440 OG SER A 29 -12.007 -1.398 8.301 1.00 0.00 O ATOM 0 H SER A 29 -9.874 -2.021 5.176 1.00 0.00 H new ATOM 0 HA SER A 29 -10.971 0.244 6.572 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.749 -2.253 6.442 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.469 -2.578 7.594 1.00 0.00 H new ATOM 0 HG SER A 29 -12.506 -2.173 8.635 1.00 0.00 H new ATOM 446 N LEU A 30 -8.061 -0.974 7.374 1.00 0.00 N ATOM 447 CA LEU A 30 -6.898 -0.847 8.221 1.00 0.00 C ATOM 448 C LEU A 30 -6.122 0.421 7.991 1.00 0.00 C ATOM 449 O LEU A 30 -5.686 1.053 8.954 1.00 0.00 O ATOM 450 CB LEU A 30 -6.014 -2.049 8.064 1.00 0.00 C ATOM 451 CG LEU A 30 -6.616 -3.345 8.553 1.00 0.00 C ATOM 452 CD1 LEU A 30 -5.785 -4.493 8.094 1.00 0.00 C ATOM 453 CD2 LEU A 30 -6.724 -3.345 10.062 1.00 0.00 C ATOM 0 H LEU A 30 -7.939 -1.624 6.597 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.262 -0.791 9.247 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.757 -2.159 7.010 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.083 -1.871 8.602 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.619 -3.444 8.139 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.224 -5.425 8.450 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.747 -4.502 7.005 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.775 -4.393 8.491 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.160 -4.287 10.396 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.732 -3.230 10.498 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.359 -2.518 10.381 1.00 0.00 H new ATOM 465 N LEU A 31 -5.945 0.832 6.750 1.00 0.00 N ATOM 466 CA LEU A 31 -5.200 2.062 6.537 1.00 0.00 C ATOM 467 C LEU A 31 -6.094 3.259 6.803 1.00 0.00 C ATOM 468 O LEU A 31 -5.625 4.352 7.022 1.00 0.00 O ATOM 469 CB LEU A 31 -4.487 2.154 5.156 1.00 0.00 C ATOM 470 CG LEU A 31 -5.288 2.630 3.929 1.00 0.00 C ATOM 471 CD1 LEU A 31 -4.348 2.897 2.771 1.00 0.00 C ATOM 472 CD2 LEU A 31 -6.315 1.619 3.510 1.00 0.00 C ATOM 0 H LEU A 31 -6.286 0.362 5.911 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.381 2.060 7.256 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.634 2.822 5.271 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.089 1.166 4.925 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.806 3.547 4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.921 3.233 1.907 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.632 3.669 3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.813 1.981 2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.859 1.991 2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.820 0.682 3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.013 1.448 4.330 1.00 0.00 H new ATOM 484 N TRP A 32 -7.395 3.024 6.815 1.00 0.00 N ATOM 485 CA TRP A 32 -8.331 4.060 7.154 1.00 0.00 C ATOM 486 C TRP A 32 -8.425 4.183 8.673 1.00 0.00 C ATOM 487 O TRP A 32 -8.807 5.230 9.219 1.00 0.00 O ATOM 488 CB TRP A 32 -9.704 3.742 6.584 1.00 0.00 C ATOM 489 CG TRP A 32 -10.177 4.781 5.625 1.00 0.00 C ATOM 490 CD1 TRP A 32 -11.185 5.680 5.791 1.00 0.00 C ATOM 491 CD2 TRP A 32 -9.618 5.037 4.356 1.00 0.00 C ATOM 492 NE1 TRP A 32 -11.305 6.454 4.664 1.00 0.00 N ATOM 493 CE2 TRP A 32 -10.345 6.077 3.766 1.00 0.00 C ATOM 494 CE3 TRP A 32 -8.576 4.467 3.666 1.00 0.00 C ATOM 495 CZ2 TRP A 32 -10.056 6.559 2.492 1.00 0.00 C ATOM 496 CZ3 TRP A 32 -8.270 4.935 2.399 1.00 0.00 C ATOM 497 CH2 TRP A 32 -9.014 5.975 1.820 1.00 0.00 C ATOM 0 H TRP A 32 -7.818 2.123 6.593 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.984 5.002 6.729 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -9.670 2.776 6.081 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -10.421 3.652 7.400 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -11.798 5.771 6.676 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -11.997 7.190 4.520 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -8.003 3.664 4.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -10.630 7.361 2.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -7.450 4.495 1.851 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -8.761 6.321 0.829 1.00 0.00 H new ATOM 508 N ALA A 33 -8.058 3.097 9.344 1.00 0.00 N ATOM 509 CA ALA A 33 -8.143 2.979 10.782 1.00 0.00 C ATOM 510 C ALA A 33 -7.108 3.817 11.489 1.00 0.00 C ATOM 511 O ALA A 33 -7.444 4.544 12.425 1.00 0.00 O ATOM 512 CB ALA A 33 -8.029 1.531 11.213 1.00 0.00 C ATOM 0 H ALA A 33 -7.687 2.263 8.889 1.00 0.00 H new ATOM 0 HA ALA A 33 -9.123 3.359 11.070 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -8.096 1.468 12.299 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.838 0.953 10.766 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.071 1.128 10.885 1.00 0.00 H new ATOM 518 N PHE A 34 -5.858 3.737 11.054 1.00 0.00 N ATOM 519 CA PHE A 34 -4.815 4.491 11.707 1.00 0.00 C ATOM 520 C PHE A 34 -4.981 5.971 11.367 1.00 0.00 C ATOM 521 O PHE A 34 -5.527 6.300 10.306 1.00 0.00 O ATOM 522 CB PHE A 34 -3.400 3.963 11.341 1.00 0.00 C ATOM 523 CG PHE A 34 -2.867 4.327 9.984 1.00 0.00 C ATOM 524 CD1 PHE A 34 -2.263 5.567 9.749 1.00 0.00 C ATOM 525 CD2 PHE A 34 -2.934 3.423 8.956 1.00 0.00 C ATOM 526 CE1 PHE A 34 -1.763 5.871 8.511 1.00 0.00 C ATOM 527 CE2 PHE A 34 -2.432 3.728 7.718 1.00 0.00 C ATOM 528 CZ PHE A 34 -1.851 4.947 7.495 1.00 0.00 C ATOM 0 H PHE A 34 -5.552 3.167 10.266 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.909 4.365 12.786 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.698 4.328 12.090 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.413 2.876 11.420 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.191 6.289 10.549 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.388 2.458 9.124 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.302 6.831 8.333 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.495 3.006 6.917 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.460 5.185 6.517 1.00 0.00 H new ATOM 672 N THR A 43 -7.959 11.242 0.339 1.00 0.00 N ATOM 673 CA THR A 43 -7.769 9.966 -0.281 1.00 0.00 C ATOM 674 C THR A 43 -9.116 9.383 -0.699 1.00 0.00 C ATOM 675 O THR A 43 -10.024 9.180 0.125 1.00 0.00 O ATOM 676 CB THR A 43 -6.887 8.989 0.571 1.00 0.00 C ATOM 677 OG1 THR A 43 -6.731 7.719 -0.076 1.00 0.00 O ATOM 678 CG2 THR A 43 -7.421 8.800 1.965 1.00 0.00 C ATOM 0 HA THR A 43 -7.184 10.113 -1.189 1.00 0.00 H new ATOM 0 HB THR A 43 -5.907 9.459 0.654 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.175 7.134 0.480 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.774 8.115 2.513 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.448 9.762 2.478 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.428 8.387 1.916 1.00 0.00 H new ATOM 686 N PRO A 44 -9.287 9.192 -2.008 1.00 0.00 N ATOM 687 CA PRO A 44 -10.547 8.748 -2.596 1.00 0.00 C ATOM 688 C PRO A 44 -10.883 7.270 -2.351 1.00 0.00 C ATOM 689 O PRO A 44 -10.444 6.390 -3.103 1.00 0.00 O ATOM 690 CB PRO A 44 -10.321 8.992 -4.087 1.00 0.00 C ATOM 691 CG PRO A 44 -8.849 8.814 -4.255 1.00 0.00 C ATOM 692 CD PRO A 44 -8.246 9.415 -3.042 1.00 0.00 C ATOM 0 HA PRO A 44 -11.391 9.279 -2.156 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -10.882 8.285 -4.698 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.640 9.992 -4.382 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.587 7.760 -4.344 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.493 9.309 -5.159 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.305 8.933 -2.778 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.034 10.475 -3.179 1.00 0.00 H new ATOM 700 N TRP A 45 -11.668 7.002 -1.316 1.00 0.00 N ATOM 701 CA TRP A 45 -12.124 5.642 -1.009 1.00 0.00 C ATOM 702 C TRP A 45 -12.903 5.074 -2.197 1.00 0.00 C ATOM 703 O TRP A 45 -12.797 3.899 -2.504 1.00 0.00 O ATOM 704 CB TRP A 45 -13.002 5.624 0.264 1.00 0.00 C ATOM 705 CG TRP A 45 -13.605 4.268 0.610 1.00 0.00 C ATOM 706 CD1 TRP A 45 -14.707 3.685 0.041 1.00 0.00 C ATOM 707 CD2 TRP A 45 -13.157 3.352 1.610 1.00 0.00 C ATOM 708 NE1 TRP A 45 -14.954 2.467 0.616 1.00 0.00 N ATOM 709 CE2 TRP A 45 -14.026 2.242 1.586 1.00 0.00 C ATOM 710 CE3 TRP A 45 -12.110 3.358 2.517 1.00 0.00 C ATOM 711 CZ2 TRP A 45 -13.871 1.155 2.439 1.00 0.00 C ATOM 712 CZ3 TRP A 45 -11.957 2.284 3.364 1.00 0.00 C ATOM 713 CH2 TRP A 45 -12.833 1.195 3.321 1.00 0.00 C ATOM 0 H TRP A 45 -12.008 7.711 -0.667 1.00 0.00 H new ATOM 0 HA TRP A 45 -11.248 5.020 -0.823 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -12.400 5.963 1.107 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -13.811 6.344 0.140 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -15.297 4.124 -0.749 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -15.710 1.832 0.359 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -11.425 4.192 2.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -14.546 0.313 2.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -11.145 2.282 4.076 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -12.684 0.369 4.001 1.00 0.00 H new ATOM 724 N SER A 46 -13.653 5.924 -2.869 1.00 0.00 N ATOM 725 CA SER A 46 -14.426 5.523 -4.030 1.00 0.00 C ATOM 726 C SER A 46 -13.525 4.884 -5.107 1.00 0.00 C ATOM 727 O SER A 46 -13.934 3.936 -5.787 1.00 0.00 O ATOM 728 CB SER A 46 -15.166 6.734 -4.572 1.00 0.00 C ATOM 729 OG SER A 46 -15.940 7.342 -3.538 1.00 0.00 O ATOM 0 H SER A 46 -13.745 6.911 -2.627 1.00 0.00 H new ATOM 0 HA SER A 46 -15.151 4.764 -3.736 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.454 7.454 -4.975 1.00 0.00 H new ATOM 0 HB3 SER A 46 -15.816 6.434 -5.394 1.00 0.00 H new ATOM 0 HG SER A 46 -16.411 8.122 -3.898 1.00 0.00 H new ATOM 735 N GLU A 47 -12.290 5.364 -5.213 1.00 0.00 N ATOM 736 CA GLU A 47 -11.354 4.787 -6.146 1.00 0.00 C ATOM 737 C GLU A 47 -10.697 3.562 -5.539 1.00 0.00 C ATOM 738 O GLU A 47 -10.554 2.549 -6.212 1.00 0.00 O ATOM 739 CB GLU A 47 -10.293 5.787 -6.615 1.00 0.00 C ATOM 740 CG GLU A 47 -10.852 6.955 -7.422 1.00 0.00 C ATOM 741 CD GLU A 47 -9.770 7.772 -8.099 1.00 0.00 C ATOM 742 OE1 GLU A 47 -9.384 7.436 -9.248 1.00 0.00 O ATOM 743 OE2 GLU A 47 -9.280 8.759 -7.511 1.00 0.00 O ATOM 0 H GLU A 47 -11.925 6.144 -4.666 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.922 4.495 -7.029 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.768 6.179 -5.744 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.555 5.261 -7.221 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.539 6.573 -8.177 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.431 7.602 -6.763 1.00 0.00 H new ATOM 750 N VAL A 48 -10.352 3.639 -4.237 1.00 0.00 N ATOM 751 CA VAL A 48 -9.674 2.521 -3.544 1.00 0.00 C ATOM 752 C VAL A 48 -10.580 1.284 -3.537 1.00 0.00 C ATOM 753 O VAL A 48 -10.111 0.151 -3.492 1.00 0.00 O ATOM 754 CB VAL A 48 -9.256 2.857 -2.047 1.00 0.00 C ATOM 755 CG1 VAL A 48 -8.661 4.227 -1.896 1.00 0.00 C ATOM 756 CG2 VAL A 48 -10.354 2.601 -1.015 1.00 0.00 C ATOM 0 H VAL A 48 -10.529 4.453 -3.649 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.756 2.334 -4.102 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.468 2.138 -1.824 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.397 4.396 -0.852 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.767 4.305 -2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -9.387 4.976 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.986 2.856 -0.021 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.223 3.216 -1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.637 1.549 -1.038 1.00 0.00 H new ATOM 766 N GLU A 49 -11.886 1.538 -3.575 1.00 0.00 N ATOM 767 CA GLU A 49 -12.877 0.519 -3.549 1.00 0.00 C ATOM 768 C GLU A 49 -12.840 -0.298 -4.804 1.00 0.00 C ATOM 769 O GLU A 49 -12.732 -1.525 -4.755 1.00 0.00 O ATOM 770 CB GLU A 49 -14.242 1.132 -3.408 1.00 0.00 C ATOM 771 CG GLU A 49 -15.092 0.353 -2.448 1.00 0.00 C ATOM 772 CD GLU A 49 -15.359 -1.078 -2.839 1.00 0.00 C ATOM 773 OE1 GLU A 49 -16.317 -1.341 -3.591 1.00 0.00 O ATOM 774 OE2 GLU A 49 -14.608 -1.968 -2.391 1.00 0.00 O ATOM 0 H GLU A 49 -12.270 2.482 -3.625 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.669 -0.128 -2.697 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.147 2.161 -3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -14.729 1.168 -4.382 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -14.609 0.361 -1.471 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.047 0.866 -2.335 1.00 0.00 H new ATOM 781 N GLU A 50 -12.890 0.379 -5.925 1.00 0.00 N ATOM 782 CA GLU A 50 -12.984 -0.304 -7.186 1.00 0.00 C ATOM 783 C GLU A 50 -11.626 -0.880 -7.605 1.00 0.00 C ATOM 784 O GLU A 50 -11.550 -1.900 -8.299 1.00 0.00 O ATOM 785 CB GLU A 50 -13.531 0.614 -8.277 1.00 0.00 C ATOM 786 CG GLU A 50 -14.878 1.240 -7.958 1.00 0.00 C ATOM 787 CD GLU A 50 -15.401 2.077 -9.096 1.00 0.00 C ATOM 788 OE1 GLU A 50 -14.964 3.236 -9.260 1.00 0.00 O ATOM 789 OE2 GLU A 50 -16.252 1.589 -9.861 1.00 0.00 O ATOM 0 H GLU A 50 -12.867 1.397 -5.987 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.683 -1.130 -7.056 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -12.809 1.410 -8.460 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.619 0.045 -9.202 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -15.597 0.454 -7.728 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.787 1.860 -7.066 1.00 0.00 H new ATOM 796 N ALA A 51 -10.577 -0.223 -7.171 1.00 0.00 N ATOM 797 CA ALA A 51 -9.216 -0.607 -7.476 1.00 0.00 C ATOM 798 C ALA A 51 -8.801 -1.836 -6.720 1.00 0.00 C ATOM 799 O ALA A 51 -9.380 -2.189 -5.686 1.00 0.00 O ATOM 800 CB ALA A 51 -8.291 0.521 -7.119 1.00 0.00 C ATOM 0 H ALA A 51 -10.645 0.609 -6.585 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.162 -0.829 -8.542 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.264 0.236 -7.347 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.558 1.407 -7.695 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.379 0.740 -6.055 1.00 0.00 H new ATOM 806 N ASP A 52 -7.820 -2.496 -7.249 1.00 0.00 N ATOM 807 CA ASP A 52 -7.227 -3.637 -6.624 1.00 0.00 C ATOM 808 C ASP A 52 -5.789 -3.684 -7.029 1.00 0.00 C ATOM 809 O ASP A 52 -5.435 -3.129 -8.083 1.00 0.00 O ATOM 810 CB ASP A 52 -7.921 -4.959 -7.019 1.00 0.00 C ATOM 811 CG ASP A 52 -7.683 -5.390 -8.461 1.00 0.00 C ATOM 812 OD1 ASP A 52 -6.681 -6.074 -8.745 1.00 0.00 O ATOM 813 OD2 ASP A 52 -8.498 -5.051 -9.337 1.00 0.00 O ATOM 0 H ASP A 52 -7.400 -2.252 -8.146 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.337 -3.537 -5.544 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.573 -5.750 -6.354 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.994 -4.854 -6.856 1.00 0.00 H new ATOM 818 N GLY A 53 -4.967 -4.261 -6.171 1.00 0.00 N ATOM 819 CA GLY A 53 -3.560 -4.488 -6.447 1.00 0.00 C ATOM 820 C GLY A 53 -2.804 -3.277 -6.970 1.00 0.00 C ATOM 821 O GLY A 53 -2.531 -2.322 -6.226 1.00 0.00 O ATOM 0 H GLY A 53 -5.262 -4.589 -5.251 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.077 -4.832 -5.533 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.474 -5.294 -7.176 1.00 0.00 H new ATOM 825 N LYS A 54 -2.530 -3.309 -8.263 1.00 0.00 N ATOM 826 CA LYS A 54 -1.767 -2.281 -8.965 1.00 0.00 C ATOM 827 C LYS A 54 -2.440 -0.957 -8.817 1.00 0.00 C ATOM 828 O LYS A 54 -1.820 0.031 -8.431 1.00 0.00 O ATOM 829 CB LYS A 54 -1.669 -2.661 -10.449 1.00 0.00 C ATOM 830 CG LYS A 54 -0.568 -1.976 -11.279 1.00 0.00 C ATOM 831 CD LYS A 54 -0.902 -0.638 -11.978 1.00 0.00 C ATOM 832 CE LYS A 54 -0.600 0.570 -11.113 1.00 0.00 C ATOM 833 NZ LYS A 54 -0.538 1.840 -11.882 1.00 0.00 N ATOM 0 H LYS A 54 -2.838 -4.067 -8.872 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.766 -2.210 -8.539 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.519 -3.739 -10.513 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.629 -2.445 -10.917 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.285 -1.804 -10.622 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.243 -2.680 -12.046 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.333 -0.566 -12.905 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.957 -0.629 -12.250 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.365 0.657 -10.342 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.351 0.415 -10.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.003 2.546 -11.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.071 1.670 -12.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.502 2.194 -12.046 1.00 0.00 H new ATOM 847 N LYS A 55 -3.710 -0.949 -9.077 1.00 0.00 N ATOM 848 CA LYS A 55 -4.472 0.263 -9.040 1.00 0.00 C ATOM 849 C LYS A 55 -4.469 0.904 -7.671 1.00 0.00 C ATOM 850 O LYS A 55 -4.402 2.110 -7.561 1.00 0.00 O ATOM 851 CB LYS A 55 -5.883 0.046 -9.520 1.00 0.00 C ATOM 852 CG LYS A 55 -6.034 0.009 -11.021 1.00 0.00 C ATOM 853 CD LYS A 55 -5.828 1.384 -11.672 1.00 0.00 C ATOM 854 CE LYS A 55 -6.863 2.402 -11.198 1.00 0.00 C ATOM 855 NZ LYS A 55 -6.714 3.709 -11.870 1.00 0.00 N ATOM 0 H LYS A 55 -4.249 -1.780 -9.321 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.980 0.954 -9.725 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.254 -0.892 -9.107 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.515 0.841 -9.123 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.315 -0.697 -11.437 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.027 -0.362 -11.273 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.828 1.749 -11.440 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.887 1.285 -12.756 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.864 2.013 -11.384 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.769 2.537 -10.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -7.281 4.423 -11.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.713 3.992 -11.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.043 3.633 -12.854 1.00 0.00 H new ATOM 869 N LEU A 56 -4.503 0.091 -6.640 1.00 0.00 N ATOM 870 CA LEU A 56 -4.486 0.607 -5.290 1.00 0.00 C ATOM 871 C LEU A 56 -3.131 1.250 -4.982 1.00 0.00 C ATOM 872 O LEU A 56 -3.068 2.310 -4.371 1.00 0.00 O ATOM 873 CB LEU A 56 -4.820 -0.476 -4.272 1.00 0.00 C ATOM 874 CG LEU A 56 -4.955 0.011 -2.826 1.00 0.00 C ATOM 875 CD1 LEU A 56 -6.106 0.998 -2.685 1.00 0.00 C ATOM 876 CD2 LEU A 56 -5.138 -1.145 -1.889 1.00 0.00 C ATOM 0 H LEU A 56 -4.542 -0.926 -6.709 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.258 1.372 -5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.754 -0.954 -4.567 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.044 -1.241 -4.311 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.032 0.526 -2.561 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.178 1.327 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.927 1.860 -3.328 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.038 0.514 -2.978 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.232 -0.775 -0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.040 -1.694 -2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.276 -1.808 -1.957 1.00 0.00 H new ATOM 888 N ALA A 57 -2.054 0.626 -5.459 1.00 0.00 N ATOM 889 CA ALA A 57 -0.691 1.162 -5.293 1.00 0.00 C ATOM 890 C ALA A 57 -0.583 2.526 -5.967 1.00 0.00 C ATOM 891 O ALA A 57 0.086 3.434 -5.473 1.00 0.00 O ATOM 892 CB ALA A 57 0.324 0.209 -5.907 1.00 0.00 C ATOM 0 H ALA A 57 -2.094 -0.257 -5.968 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.483 1.268 -4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.328 0.614 -5.779 1.00 0.00 H new ATOM 0 HB2 ALA A 57 0.258 -0.760 -5.413 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.114 0.089 -6.970 1.00 0.00 H new ATOM 898 N GLU A 58 -1.300 2.663 -7.062 1.00 0.00 N ATOM 899 CA GLU A 58 -1.338 3.873 -7.852 1.00 0.00 C ATOM 900 C GLU A 58 -2.022 4.990 -7.056 1.00 0.00 C ATOM 901 O GLU A 58 -1.603 6.149 -7.088 1.00 0.00 O ATOM 902 CB GLU A 58 -2.104 3.578 -9.132 1.00 0.00 C ATOM 903 CG GLU A 58 -2.228 4.715 -10.106 1.00 0.00 C ATOM 904 CD GLU A 58 -3.053 4.315 -11.285 1.00 0.00 C ATOM 905 OE1 GLU A 58 -2.511 3.692 -12.218 1.00 0.00 O ATOM 906 OE2 GLU A 58 -4.266 4.574 -11.285 1.00 0.00 O ATOM 0 H GLU A 58 -1.887 1.917 -7.436 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.329 4.203 -8.097 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.618 2.744 -9.638 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.107 3.246 -8.863 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -2.683 5.574 -9.613 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.237 5.025 -10.438 1.00 0.00 H new ATOM 913 N ILE A 59 -3.048 4.619 -6.331 1.00 0.00 N ATOM 914 CA ILE A 59 -3.795 5.537 -5.493 1.00 0.00 C ATOM 915 C ILE A 59 -2.950 5.927 -4.263 1.00 0.00 C ATOM 916 O ILE A 59 -2.960 7.085 -3.817 1.00 0.00 O ATOM 917 CB ILE A 59 -5.147 4.890 -5.082 1.00 0.00 C ATOM 918 CG1 ILE A 59 -5.956 4.605 -6.355 1.00 0.00 C ATOM 919 CG2 ILE A 59 -5.936 5.810 -4.147 1.00 0.00 C ATOM 920 CD1 ILE A 59 -7.044 3.589 -6.199 1.00 0.00 C ATOM 0 H ILE A 59 -3.396 3.661 -6.303 1.00 0.00 H new ATOM 0 HA ILE A 59 -4.016 6.449 -6.047 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.955 3.962 -4.543 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -6.398 5.538 -6.703 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.272 4.267 -7.134 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.877 5.332 -3.876 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.353 6.000 -3.246 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.141 6.754 -4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.558 3.457 -7.151 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.612 2.639 -5.885 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.756 3.930 -5.447 1.00 0.00 H new ATOM 932 N LEU A 60 -2.185 4.970 -3.751 1.00 0.00 N ATOM 933 CA LEU A 60 -1.260 5.228 -2.648 1.00 0.00 C ATOM 934 C LEU A 60 -0.164 6.213 -3.053 1.00 0.00 C ATOM 935 O LEU A 60 0.095 7.174 -2.341 1.00 0.00 O ATOM 936 CB LEU A 60 -0.642 3.931 -2.075 1.00 0.00 C ATOM 937 CG LEU A 60 -1.361 3.253 -0.879 1.00 0.00 C ATOM 938 CD1 LEU A 60 -1.372 4.163 0.337 1.00 0.00 C ATOM 939 CD2 LEU A 60 -2.777 2.815 -1.226 1.00 0.00 C ATOM 0 H LEU A 60 -2.185 4.005 -4.081 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.853 5.682 -1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.580 3.204 -2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.380 4.154 -1.768 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.792 2.354 -0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.882 3.663 1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.347 4.391 0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.895 5.088 0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.237 2.346 -0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.364 3.684 -1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.746 2.100 -2.048 1.00 0.00 H new ATOM 951 N VAL A 61 0.452 6.008 -4.215 1.00 0.00 N ATOM 952 CA VAL A 61 1.525 6.910 -4.664 1.00 0.00 C ATOM 953 C VAL A 61 0.968 8.261 -5.124 1.00 0.00 C ATOM 954 O VAL A 61 1.705 9.232 -5.271 1.00 0.00 O ATOM 955 CB VAL A 61 2.421 6.298 -5.781 1.00 0.00 C ATOM 956 CG1 VAL A 61 3.089 5.023 -5.311 1.00 0.00 C ATOM 957 CG2 VAL A 61 1.640 6.050 -7.051 1.00 0.00 C ATOM 0 H VAL A 61 0.237 5.244 -4.855 1.00 0.00 H new ATOM 0 HA VAL A 61 2.159 7.062 -3.791 1.00 0.00 H new ATOM 0 HB VAL A 61 3.198 7.029 -6.005 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.708 4.620 -6.113 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.713 5.238 -4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.327 4.293 -5.038 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.300 5.623 -7.806 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.825 5.356 -6.847 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.232 6.992 -7.417 1.00 0.00 H new ATOM 967 N ASN A 62 -0.335 8.308 -5.335 1.00 0.00 N ATOM 968 CA ASN A 62 -1.019 9.531 -5.739 1.00 0.00 C ATOM 969 C ASN A 62 -1.068 10.514 -4.566 1.00 0.00 C ATOM 970 O ASN A 62 -1.038 11.736 -4.745 1.00 0.00 O ATOM 971 CB ASN A 62 -2.454 9.199 -6.218 1.00 0.00 C ATOM 972 CG ASN A 62 -3.277 10.415 -6.627 1.00 0.00 C ATOM 973 OD1 ASN A 62 -2.753 11.425 -7.111 1.00 0.00 O ATOM 974 ND2 ASN A 62 -4.571 10.315 -6.471 1.00 0.00 N ATOM 0 H ASN A 62 -0.952 7.502 -5.232 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.471 9.991 -6.561 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.393 8.515 -7.065 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.978 8.672 -5.420 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.179 11.084 -6.752 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -4.972 9.468 -6.068 1.00 0.00 H new ATOM 981 N THR A 63 -1.126 9.978 -3.374 1.00 0.00 N ATOM 982 CA THR A 63 -1.228 10.778 -2.186 1.00 0.00 C ATOM 983 C THR A 63 0.053 10.764 -1.359 1.00 0.00 C ATOM 984 O THR A 63 0.579 11.817 -0.980 1.00 0.00 O ATOM 985 CB THR A 63 -2.391 10.274 -1.329 1.00 0.00 C ATOM 986 OG1 THR A 63 -2.338 8.831 -1.274 1.00 0.00 O ATOM 987 CG2 THR A 63 -3.716 10.720 -1.905 1.00 0.00 C ATOM 0 H THR A 63 -1.104 8.973 -3.202 1.00 0.00 H new ATOM 0 HA THR A 63 -1.401 11.807 -2.502 1.00 0.00 H new ATOM 0 HB THR A 63 -2.303 10.690 -0.325 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.078 8.497 -0.726 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.528 10.350 -1.279 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.750 11.809 -1.938 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.826 10.323 -2.914 1.00 0.00 H new ATOM 995 N SER A 64 0.572 9.595 -1.130 1.00 0.00 N ATOM 996 CA SER A 64 1.665 9.418 -0.227 1.00 0.00 C ATOM 997 C SER A 64 3.010 9.449 -0.937 1.00 0.00 C ATOM 998 O SER A 64 3.109 9.207 -2.149 1.00 0.00 O ATOM 999 CB SER A 64 1.499 8.080 0.449 1.00 0.00 C ATOM 1000 OG SER A 64 0.185 7.919 0.924 1.00 0.00 O ATOM 0 H SER A 64 0.246 8.733 -1.568 1.00 0.00 H new ATOM 0 HA SER A 64 1.655 10.238 0.491 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.737 7.281 -0.253 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.203 7.996 1.277 1.00 0.00 H new ATOM 0 HG SER A 64 0.209 7.584 1.845 1.00 0.00 H new ATOM 1006 N SER A 65 4.017 9.762 -0.185 1.00 0.00 N ATOM 1007 CA SER A 65 5.365 9.692 -0.605 1.00 0.00 C ATOM 1008 C SER A 65 5.837 8.258 -0.368 1.00 0.00 C ATOM 1009 O SER A 65 5.311 7.574 0.526 1.00 0.00 O ATOM 1010 CB SER A 65 6.141 10.686 0.242 1.00 0.00 C ATOM 1011 OG SER A 65 5.698 10.605 1.592 1.00 0.00 O ATOM 0 H SER A 65 3.909 10.086 0.776 1.00 0.00 H new ATOM 0 HA SER A 65 5.505 9.937 -1.658 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.209 10.474 0.185 1.00 0.00 H new ATOM 0 HB3 SER A 65 5.996 11.697 -0.140 1.00 0.00 H new ATOM 0 HG SER A 65 6.199 11.245 2.140 1.00 0.00 H new ATOM 1017 N GLU A 66 6.801 7.790 -1.131 1.00 0.00 N ATOM 1018 CA GLU A 66 7.249 6.407 -1.017 1.00 0.00 C ATOM 1019 C GLU A 66 7.818 6.088 0.357 1.00 0.00 C ATOM 1020 O GLU A 66 7.599 4.996 0.892 1.00 0.00 O ATOM 1021 CB GLU A 66 8.235 6.035 -2.102 1.00 0.00 C ATOM 1022 CG GLU A 66 9.405 6.974 -2.255 1.00 0.00 C ATOM 1023 CD GLU A 66 10.457 6.415 -3.152 1.00 0.00 C ATOM 1024 OE1 GLU A 66 10.397 6.621 -4.376 1.00 0.00 O ATOM 1025 OE2 GLU A 66 11.369 5.733 -2.657 1.00 0.00 O ATOM 0 H GLU A 66 7.292 8.339 -1.836 1.00 0.00 H new ATOM 0 HA GLU A 66 6.357 5.795 -1.151 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.617 5.035 -1.897 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.703 5.984 -3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.056 7.926 -2.655 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.836 7.179 -1.275 1.00 0.00 H new ATOM 1032 N ASN A 67 8.480 7.063 0.954 1.00 0.00 N ATOM 1033 CA ASN A 67 9.081 6.890 2.277 1.00 0.00 C ATOM 1034 C ASN A 67 7.986 6.757 3.350 1.00 0.00 C ATOM 1035 O ASN A 67 8.210 6.236 4.439 1.00 0.00 O ATOM 1036 CB ASN A 67 10.049 8.045 2.596 1.00 0.00 C ATOM 1037 CG ASN A 67 10.817 7.846 3.902 1.00 0.00 C ATOM 1038 OD1 ASN A 67 10.401 8.286 4.963 1.00 0.00 O ATOM 1039 ND2 ASN A 67 11.956 7.195 3.821 1.00 0.00 N ATOM 0 H ASN A 67 8.619 7.988 0.547 1.00 0.00 H new ATOM 0 HA ASN A 67 9.663 5.969 2.277 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.760 8.151 1.777 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.486 8.977 2.652 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.519 7.045 4.659 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.277 6.839 2.921 1.00 0.00 H new ATOM 1046 N TRP A 68 6.794 7.177 3.010 1.00 0.00 N ATOM 1047 CA TRP A 68 5.679 7.060 3.906 1.00 0.00 C ATOM 1048 C TRP A 68 4.975 5.722 3.652 1.00 0.00 C ATOM 1049 O TRP A 68 4.616 5.000 4.590 1.00 0.00 O ATOM 1050 CB TRP A 68 4.717 8.217 3.681 1.00 0.00 C ATOM 1051 CG TRP A 68 3.664 8.354 4.726 1.00 0.00 C ATOM 1052 CD1 TRP A 68 3.771 9.062 5.876 1.00 0.00 C ATOM 1053 CD2 TRP A 68 2.344 7.792 4.724 1.00 0.00 C ATOM 1054 NE1 TRP A 68 2.615 8.983 6.584 1.00 0.00 N ATOM 1055 CE2 TRP A 68 1.720 8.218 5.904 1.00 0.00 C ATOM 1056 CE3 TRP A 68 1.630 6.977 3.845 1.00 0.00 C ATOM 1057 CZ2 TRP A 68 0.420 7.867 6.227 1.00 0.00 C ATOM 1058 CZ3 TRP A 68 0.339 6.629 4.166 1.00 0.00 C ATOM 1059 CH2 TRP A 68 -0.253 7.076 5.344 1.00 0.00 C ATOM 0 H TRP A 68 6.573 7.606 2.111 1.00 0.00 H new ATOM 0 HA TRP A 68 6.025 7.094 4.939 1.00 0.00 H new ATOM 0 HB2 TRP A 68 5.288 9.144 3.634 1.00 0.00 H new ATOM 0 HB3 TRP A 68 4.235 8.090 2.712 1.00 0.00 H new ATOM 0 HD1 TRP A 68 4.649 9.610 6.185 1.00 0.00 H new ATOM 0 HE1 TRP A 68 2.445 9.428 7.486 1.00 0.00 H new ATOM 0 HE3 TRP A 68 2.083 6.626 2.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 -0.042 8.206 7.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 -0.225 5.999 3.494 1.00 0.00 H new ATOM 0 HH2 TRP A 68 -1.271 6.789 5.564 1.00 0.00 H new ATOM 1070 N ILE A 69 4.829 5.371 2.372 1.00 0.00 N ATOM 1071 CA ILE A 69 4.150 4.134 1.971 1.00 0.00 C ATOM 1072 C ILE A 69 4.896 2.909 2.504 1.00 0.00 C ATOM 1073 O ILE A 69 4.269 1.933 2.930 1.00 0.00 O ATOM 1074 CB ILE A 69 3.994 4.006 0.433 1.00 0.00 C ATOM 1075 CG1 ILE A 69 3.344 5.255 -0.139 1.00 0.00 C ATOM 1076 CG2 ILE A 69 3.120 2.795 0.108 1.00 0.00 C ATOM 1077 CD1 ILE A 69 3.271 5.280 -1.647 1.00 0.00 C ATOM 0 H ILE A 69 5.174 5.929 1.591 1.00 0.00 H new ATOM 0 HA ILE A 69 3.151 4.181 2.406 1.00 0.00 H new ATOM 0 HB ILE A 69 4.982 3.883 -0.010 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.335 5.343 0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.900 6.129 0.201 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.010 2.705 -0.973 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.588 1.893 0.502 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.138 2.923 0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 69 2.794 6.204 -1.973 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.278 5.226 -2.061 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.688 4.428 -1.997 1.00 0.00 H new ATOM 1089 N ARG A 70 6.237 2.986 2.525 1.00 0.00 N ATOM 1090 CA ARG A 70 7.081 1.891 3.053 1.00 0.00 C ATOM 1091 C ARG A 70 6.788 1.620 4.530 1.00 0.00 C ATOM 1092 O ARG A 70 7.111 0.570 5.047 1.00 0.00 O ATOM 1093 CB ARG A 70 8.577 2.172 2.863 1.00 0.00 C ATOM 1094 CG ARG A 70 9.053 3.436 3.539 1.00 0.00 C ATOM 1095 CD ARG A 70 10.547 3.626 3.407 1.00 0.00 C ATOM 1096 NE ARG A 70 11.304 2.688 4.235 1.00 0.00 N ATOM 1097 CZ ARG A 70 12.628 2.529 4.196 1.00 0.00 C ATOM 1098 NH1 ARG A 70 13.355 3.185 3.300 1.00 0.00 N ATOM 1099 NH2 ARG A 70 13.212 1.697 5.053 1.00 0.00 N ATOM 0 H ARG A 70 6.763 3.791 2.184 1.00 0.00 H new ATOM 0 HA ARG A 70 6.827 1.002 2.475 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.147 1.328 3.250 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.791 2.239 1.796 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.540 4.294 3.105 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.784 3.405 4.595 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.836 3.500 2.364 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.807 4.646 3.689 1.00 0.00 H new ATOM 0 HE ARG A 70 10.780 2.111 4.893 1.00 0.00 H new ATOM 0 HH11 ARG A 70 12.902 3.814 2.637 1.00 0.00 H new ATOM 0 HH12 ARG A 70 14.367 3.060 3.274 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.648 1.187 5.733 1.00 0.00 H new ATOM 0 HH22 ARG A 70 14.224 1.569 5.031 1.00 0.00 H new ATOM 1113 N ASN A 71 6.206 2.584 5.202 1.00 0.00 N ATOM 1114 CA ASN A 71 5.784 2.392 6.573 1.00 0.00 C ATOM 1115 C ASN A 71 4.367 1.870 6.569 1.00 0.00 C ATOM 1116 O ASN A 71 4.075 0.836 7.159 1.00 0.00 O ATOM 1117 CB ASN A 71 5.866 3.709 7.371 1.00 0.00 C ATOM 1118 CG ASN A 71 5.316 3.592 8.795 1.00 0.00 C ATOM 1119 OD1 ASN A 71 6.037 3.234 9.718 1.00 0.00 O ATOM 1120 ND2 ASN A 71 4.062 3.939 8.993 1.00 0.00 N ATOM 0 H ASN A 71 6.013 3.511 4.823 1.00 0.00 H new ATOM 0 HA ASN A 71 6.448 1.675 7.057 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.906 4.034 7.416 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.313 4.483 6.838 1.00 0.00 H new ATOM 0 HD21 ASN A 71 3.668 3.914 9.934 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.484 4.233 8.206 1.00 0.00 H new ATOM 1127 N ALA A 72 3.511 2.583 5.830 1.00 0.00 N ATOM 1128 CA ALA A 72 2.087 2.297 5.725 1.00 0.00 C ATOM 1129 C ALA A 72 1.794 0.833 5.387 1.00 0.00 C ATOM 1130 O ALA A 72 1.252 0.109 6.211 1.00 0.00 O ATOM 1131 CB ALA A 72 1.447 3.208 4.687 1.00 0.00 C ATOM 0 H ALA A 72 3.800 3.391 5.279 1.00 0.00 H new ATOM 0 HA ALA A 72 1.654 2.488 6.707 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.382 2.987 4.616 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.582 4.248 4.983 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.918 3.042 3.718 1.00 0.00 H new ATOM 1137 N THR A 73 2.214 0.398 4.201 1.00 0.00 N ATOM 1138 CA THR A 73 1.909 -0.943 3.708 1.00 0.00 C ATOM 1139 C THR A 73 2.467 -2.024 4.637 1.00 0.00 C ATOM 1140 O THR A 73 1.758 -2.946 4.967 1.00 0.00 O ATOM 1141 CB THR A 73 2.371 -1.133 2.197 1.00 0.00 C ATOM 1142 OG1 THR A 73 1.875 -2.352 1.657 1.00 0.00 O ATOM 1143 CG2 THR A 73 3.901 -1.111 2.030 1.00 0.00 C ATOM 0 H THR A 73 2.772 0.961 3.559 1.00 0.00 H new ATOM 0 HA THR A 73 0.825 -1.059 3.714 1.00 0.00 H new ATOM 0 HB THR A 73 1.954 -0.284 1.655 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.172 -2.443 0.728 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.154 -1.245 0.978 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.291 -0.155 2.378 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.343 -1.918 2.615 1.00 0.00 H new ATOM 1151 N VAL A 74 3.669 -1.843 5.137 1.00 0.00 N ATOM 1152 CA VAL A 74 4.299 -2.846 5.983 1.00 0.00 C ATOM 1153 C VAL A 74 3.456 -3.144 7.227 1.00 0.00 C ATOM 1154 O VAL A 74 3.107 -4.305 7.480 1.00 0.00 O ATOM 1155 CB VAL A 74 5.742 -2.436 6.362 1.00 0.00 C ATOM 1156 CG1 VAL A 74 6.315 -3.347 7.423 1.00 0.00 C ATOM 1157 CG2 VAL A 74 6.627 -2.459 5.129 1.00 0.00 C ATOM 0 H VAL A 74 4.235 -1.010 4.975 1.00 0.00 H new ATOM 0 HA VAL A 74 4.360 -3.768 5.405 1.00 0.00 H new ATOM 0 HB VAL A 74 5.708 -1.425 6.769 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.329 -3.030 7.665 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.696 -3.297 8.319 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.334 -4.372 7.051 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.641 -2.169 5.404 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.638 -3.464 4.708 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.238 -1.760 4.389 1.00 0.00 H new ATOM 1167 N ASN A 75 3.072 -2.104 7.944 1.00 0.00 N ATOM 1168 CA ASN A 75 2.273 -2.277 9.127 1.00 0.00 C ATOM 1169 C ASN A 75 0.917 -2.849 8.801 1.00 0.00 C ATOM 1170 O ASN A 75 0.485 -3.751 9.466 1.00 0.00 O ATOM 1171 CB ASN A 75 2.137 -0.983 9.919 1.00 0.00 C ATOM 1172 CG ASN A 75 3.415 -0.567 10.621 1.00 0.00 C ATOM 1173 OD1 ASN A 75 3.597 -1.021 11.832 1.00 0.00 O flip ATOM 1174 ND2 ASN A 75 4.233 0.181 10.077 1.00 0.00 N flip ATOM 0 H ASN A 75 3.303 -1.136 7.723 1.00 0.00 H new ATOM 0 HA ASN A 75 2.799 -2.994 9.757 1.00 0.00 H new ATOM 0 HB2 ASN A 75 1.825 -0.185 9.245 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.347 -1.101 10.660 1.00 0.00 H new ATOM 0 HD21 ASN A 75 4.063 0.520 9.130 1.00 0.00 H new ATOM 0 HD22 ASN A 75 5.078 0.460 10.575 1.00 0.00 H new ATOM 1181 N ILE A 76 0.274 -2.368 7.734 1.00 0.00 N ATOM 1182 CA ILE A 76 -1.067 -2.867 7.364 1.00 0.00 C ATOM 1183 C ILE A 76 -1.006 -4.363 7.060 1.00 0.00 C ATOM 1184 O ILE A 76 -1.866 -5.132 7.482 1.00 0.00 O ATOM 1185 CB ILE A 76 -1.672 -2.139 6.127 1.00 0.00 C ATOM 1186 CG1 ILE A 76 -1.637 -0.619 6.297 1.00 0.00 C ATOM 1187 CG2 ILE A 76 -3.108 -2.600 5.887 1.00 0.00 C ATOM 1188 CD1 ILE A 76 -2.340 -0.103 7.520 1.00 0.00 C ATOM 0 H ILE A 76 0.646 -1.646 7.116 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.711 -2.666 8.220 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.061 -2.398 5.263 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.597 -0.296 6.330 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.086 -0.159 5.417 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.516 -2.082 5.019 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.120 -3.675 5.707 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -3.714 -2.373 6.764 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.261 0.984 7.554 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.391 -0.390 7.484 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.879 -0.528 8.411 1.00 0.00 H new ATOM 1200 N LEU A 77 0.024 -4.769 6.340 1.00 0.00 N ATOM 1201 CA LEU A 77 0.229 -6.163 6.021 1.00 0.00 C ATOM 1202 C LEU A 77 0.491 -6.977 7.288 1.00 0.00 C ATOM 1203 O LEU A 77 -0.083 -8.065 7.471 1.00 0.00 O ATOM 1204 CB LEU A 77 1.336 -6.344 4.969 1.00 0.00 C ATOM 1205 CG LEU A 77 0.951 -6.102 3.479 1.00 0.00 C ATOM 1206 CD1 LEU A 77 0.378 -4.740 3.190 1.00 0.00 C ATOM 1207 CD2 LEU A 77 2.091 -6.444 2.540 1.00 0.00 C ATOM 0 H LEU A 77 0.736 -4.143 5.964 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.688 -6.548 5.574 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.154 -5.669 5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.723 -7.359 5.057 1.00 0.00 H new ATOM 0 HG LEU A 77 0.132 -6.795 3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.140 -4.663 2.129 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.529 -4.595 3.777 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.108 -3.975 3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.782 -6.261 1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.955 -5.822 2.775 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.357 -7.494 2.658 1.00 0.00 H new ATOM 1219 N GLU A 78 1.295 -6.424 8.190 1.00 0.00 N ATOM 1220 CA GLU A 78 1.549 -7.048 9.481 1.00 0.00 C ATOM 1221 C GLU A 78 0.262 -7.112 10.333 1.00 0.00 C ATOM 1222 O GLU A 78 0.062 -8.052 11.113 1.00 0.00 O ATOM 1223 CB GLU A 78 2.710 -6.351 10.230 1.00 0.00 C ATOM 1224 CG GLU A 78 4.090 -6.699 9.670 1.00 0.00 C ATOM 1225 CD GLU A 78 5.250 -6.180 10.506 1.00 0.00 C ATOM 1226 OE1 GLU A 78 5.498 -6.716 11.605 1.00 0.00 O ATOM 1227 OE2 GLU A 78 5.967 -5.268 10.067 1.00 0.00 O ATOM 0 H GLU A 78 1.784 -5.540 8.048 1.00 0.00 H new ATOM 0 HA GLU A 78 1.865 -8.075 9.298 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.568 -5.271 10.181 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.673 -6.630 11.283 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.173 -7.783 9.586 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.173 -6.294 8.662 1.00 0.00 H new ATOM 1234 N GLU A 79 -0.621 -6.144 10.135 1.00 0.00 N ATOM 1235 CA GLU A 79 -1.907 -6.074 10.826 1.00 0.00 C ATOM 1236 C GLU A 79 -2.955 -7.001 10.205 1.00 0.00 C ATOM 1237 O GLU A 79 -4.077 -7.100 10.701 1.00 0.00 O ATOM 1238 CB GLU A 79 -2.440 -4.654 10.859 1.00 0.00 C ATOM 1239 CG GLU A 79 -1.596 -3.685 11.652 1.00 0.00 C ATOM 1240 CD GLU A 79 -2.288 -2.374 11.857 1.00 0.00 C ATOM 1241 OE1 GLU A 79 -2.253 -1.502 10.972 1.00 0.00 O ATOM 1242 OE2 GLU A 79 -2.904 -2.197 12.930 1.00 0.00 O ATOM 0 H GLU A 79 -0.466 -5.375 9.483 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.721 -6.410 11.846 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.526 -4.288 9.836 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.446 -4.667 11.278 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.355 -4.123 12.621 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -0.652 -3.519 11.134 1.00 0.00 H new ATOM 1249 N MET A 80 -2.601 -7.626 9.098 1.00 0.00 N ATOM 1250 CA MET A 80 -3.456 -8.617 8.451 1.00 0.00 C ATOM 1251 C MET A 80 -2.920 -10.008 8.707 1.00 0.00 C ATOM 1252 O MET A 80 -3.375 -10.984 8.097 1.00 0.00 O ATOM 1253 CB MET A 80 -3.569 -8.372 6.937 1.00 0.00 C ATOM 1254 CG MET A 80 -4.383 -7.151 6.578 1.00 0.00 C ATOM 1255 SD MET A 80 -4.593 -6.900 4.797 1.00 0.00 S ATOM 1256 CE MET A 80 -2.921 -6.511 4.310 1.00 0.00 C ATOM 0 H MET A 80 -1.715 -7.465 8.619 1.00 0.00 H new ATOM 0 HA MET A 80 -4.454 -8.523 8.879 1.00 0.00 H new ATOM 0 HB2 MET A 80 -2.568 -8.266 6.519 1.00 0.00 H new ATOM 0 HB3 MET A 80 -4.018 -9.248 6.469 1.00 0.00 H new ATOM 0 HG2 MET A 80 -5.366 -7.234 7.041 1.00 0.00 H new ATOM 0 HG3 MET A 80 -3.904 -6.270 7.004 1.00 0.00 H new ATOM 0 HE1 MET A 80 -2.913 -6.175 3.273 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.530 -5.721 4.951 1.00 0.00 H new ATOM 0 HE3 MET A 80 -2.297 -7.400 4.408 1.00 0.00 H new ATOM 1266 N ASN A 81 -1.941 -10.081 9.624 1.00 0.00 N ATOM 1267 CA ASN A 81 -1.267 -11.333 10.032 1.00 0.00 C ATOM 1268 C ASN A 81 -0.450 -11.903 8.855 1.00 0.00 C ATOM 1269 O ASN A 81 -0.084 -13.070 8.825 1.00 0.00 O ATOM 1270 CB ASN A 81 -2.301 -12.378 10.551 1.00 0.00 C ATOM 1271 CG ASN A 81 -1.664 -13.603 11.203 1.00 0.00 C ATOM 1272 OD1 ASN A 81 -0.606 -13.510 11.844 1.00 0.00 O ATOM 1273 ND2 ASN A 81 -2.274 -14.753 11.026 1.00 0.00 N ATOM 0 H ASN A 81 -1.587 -9.259 10.113 1.00 0.00 H new ATOM 0 HA ASN A 81 -0.584 -11.108 10.851 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.960 -11.896 11.272 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -2.924 -12.704 9.718 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.879 -15.606 11.421 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -3.143 -14.793 10.493 1.00 0.00 H new ATOM 1280 N LEU A 82 -0.130 -11.056 7.910 1.00 0.00 N ATOM 1281 CA LEU A 82 0.593 -11.472 6.738 1.00 0.00 C ATOM 1282 C LEU A 82 2.069 -11.210 6.907 1.00 0.00 C ATOM 1283 O LEU A 82 2.492 -10.072 6.926 1.00 0.00 O ATOM 1284 CB LEU A 82 0.067 -10.739 5.491 1.00 0.00 C ATOM 1285 CG LEU A 82 -1.396 -11.004 5.105 1.00 0.00 C ATOM 1286 CD1 LEU A 82 -1.786 -10.185 3.885 1.00 0.00 C ATOM 1287 CD2 LEU A 82 -1.627 -12.486 4.843 1.00 0.00 C ATOM 0 H LEU A 82 -0.363 -10.063 7.932 1.00 0.00 H new ATOM 0 HA LEU A 82 0.440 -12.543 6.605 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.189 -9.667 5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.698 -11.011 4.644 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.025 -10.701 5.942 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.826 -10.387 3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.666 -9.124 4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.146 -10.455 3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.670 -12.649 4.571 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -0.984 -12.816 4.027 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.393 -13.055 5.743 1.00 0.00 H new ATOM 1299 N THR A 83 2.838 -12.256 7.067 1.00 0.00 N ATOM 1300 CA THR A 83 4.269 -12.119 7.152 1.00 0.00 C ATOM 1301 C THR A 83 4.919 -12.349 5.810 1.00 0.00 C ATOM 1302 O THR A 83 5.555 -11.464 5.303 1.00 0.00 O ATOM 1303 CB THR A 83 4.911 -13.018 8.235 1.00 0.00 C ATOM 1304 OG1 THR A 83 4.433 -14.373 8.149 1.00 0.00 O ATOM 1305 CG2 THR A 83 4.680 -12.464 9.621 1.00 0.00 C ATOM 0 H THR A 83 2.496 -13.214 7.141 1.00 0.00 H new ATOM 0 HA THR A 83 4.453 -11.090 7.461 1.00 0.00 H new ATOM 0 HB THR A 83 5.985 -13.026 8.047 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.859 -14.915 8.845 1.00 0.00 H new ATOM 0 HG21 THR A 83 5.144 -13.120 10.357 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.120 -11.469 9.693 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.609 -12.402 9.814 1.00 0.00 H new ATOM 1313 N GLU A 84 4.667 -13.507 5.213 1.00 0.00 N ATOM 1314 CA GLU A 84 5.299 -13.943 3.948 1.00 0.00 C ATOM 1315 C GLU A 84 5.457 -12.829 2.865 1.00 0.00 C ATOM 1316 O GLU A 84 6.575 -12.382 2.590 1.00 0.00 O ATOM 1317 CB GLU A 84 4.599 -15.196 3.404 1.00 0.00 C ATOM 1318 CG GLU A 84 3.078 -15.105 3.350 1.00 0.00 C ATOM 1319 CD GLU A 84 2.455 -16.358 2.791 1.00 0.00 C ATOM 1320 OE1 GLU A 84 2.201 -17.301 3.559 1.00 0.00 O ATOM 1321 OE2 GLU A 84 2.238 -16.422 1.567 1.00 0.00 O ATOM 0 H GLU A 84 4.009 -14.189 5.590 1.00 0.00 H new ATOM 0 HA GLU A 84 6.328 -14.195 4.202 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.973 -15.397 2.400 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.876 -16.048 4.024 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.690 -14.924 4.352 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.788 -14.252 2.737 1.00 0.00 H new ATOM 1328 N LEU A 85 4.358 -12.355 2.299 1.00 0.00 N ATOM 1329 CA LEU A 85 4.419 -11.301 1.278 1.00 0.00 C ATOM 1330 C LEU A 85 4.856 -9.967 1.866 1.00 0.00 C ATOM 1331 O LEU A 85 5.457 -9.157 1.190 1.00 0.00 O ATOM 1332 CB LEU A 85 3.098 -11.128 0.480 1.00 0.00 C ATOM 1333 CG LEU A 85 1.814 -10.733 1.243 1.00 0.00 C ATOM 1334 CD1 LEU A 85 0.736 -10.349 0.255 1.00 0.00 C ATOM 1335 CD2 LEU A 85 1.304 -11.874 2.114 1.00 0.00 C ATOM 0 H LEU A 85 3.416 -12.676 2.522 1.00 0.00 H new ATOM 0 HA LEU A 85 5.175 -11.639 0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.272 -10.373 -0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.899 -12.067 -0.037 1.00 0.00 H new ATOM 0 HG LEU A 85 2.057 -9.890 1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.169 -10.071 0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.076 -9.504 -0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.523 -11.195 -0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.400 -11.558 2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.079 -12.737 1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 85 2.067 -12.144 2.844 1.00 0.00 H new ATOM 1347 N CYS A 86 4.604 -9.768 3.133 1.00 0.00 N ATOM 1348 CA CYS A 86 4.980 -8.531 3.784 1.00 0.00 C ATOM 1349 C CYS A 86 6.494 -8.467 3.903 1.00 0.00 C ATOM 1350 O CYS A 86 7.094 -7.428 3.756 1.00 0.00 O ATOM 1351 CB CYS A 86 4.349 -8.450 5.150 1.00 0.00 C ATOM 1352 SG CYS A 86 4.638 -6.895 6.021 1.00 0.00 S ATOM 0 H CYS A 86 4.140 -10.444 3.739 1.00 0.00 H new ATOM 0 HA CYS A 86 4.627 -7.688 3.190 1.00 0.00 H new ATOM 0 HB2 CYS A 86 3.274 -8.600 5.049 1.00 0.00 H new ATOM 0 HB3 CYS A 86 4.729 -9.269 5.760 1.00 0.00 H new ATOM 0 HG CYS A 86 4.557 -5.906 5.181 1.00 0.00 H new ATOM 1358 N LYS A 87 7.105 -9.615 4.095 1.00 0.00 N ATOM 1359 CA LYS A 87 8.540 -9.738 4.193 1.00 0.00 C ATOM 1360 C LYS A 87 9.205 -9.513 2.844 1.00 0.00 C ATOM 1361 O LYS A 87 10.418 -9.391 2.750 1.00 0.00 O ATOM 1362 CB LYS A 87 8.892 -11.087 4.783 1.00 0.00 C ATOM 1363 CG LYS A 87 8.429 -11.221 6.228 1.00 0.00 C ATOM 1364 CD LYS A 87 8.536 -12.635 6.738 1.00 0.00 C ATOM 1365 CE LYS A 87 9.957 -13.115 6.753 1.00 0.00 C ATOM 1366 NZ LYS A 87 10.833 -12.286 7.623 1.00 0.00 N ATOM 0 H LYS A 87 6.610 -10.502 4.189 1.00 0.00 H new ATOM 0 HA LYS A 87 8.922 -8.964 4.858 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.436 -11.874 4.183 1.00 0.00 H new ATOM 0 HB3 LYS A 87 9.971 -11.233 4.734 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.026 -10.564 6.860 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.395 -10.886 6.308 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.123 -12.691 7.745 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.936 -13.294 6.111 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.983 -14.149 7.097 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.350 -13.107 5.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.737 -12.777 7.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.010 -11.369 7.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 10.366 -12.131 8.539 1.00 0.00 H new ATOM 1380 N MET A 88 8.400 -9.481 1.801 1.00 0.00 N ATOM 1381 CA MET A 88 8.872 -9.097 0.489 1.00 0.00 C ATOM 1382 C MET A 88 8.937 -7.582 0.484 1.00 0.00 C ATOM 1383 O MET A 88 9.915 -6.994 0.084 1.00 0.00 O ATOM 1384 CB MET A 88 7.917 -9.568 -0.616 1.00 0.00 C ATOM 1385 CG MET A 88 7.716 -11.070 -0.695 1.00 0.00 C ATOM 1386 SD MET A 88 6.443 -11.526 -1.900 1.00 0.00 S ATOM 1387 CE MET A 88 7.187 -10.953 -3.432 1.00 0.00 C ATOM 0 H MET A 88 7.409 -9.719 1.839 1.00 0.00 H new ATOM 0 HA MET A 88 9.842 -9.554 0.292 1.00 0.00 H new ATOM 0 HB2 MET A 88 6.947 -9.095 -0.463 1.00 0.00 H new ATOM 0 HB3 MET A 88 8.295 -9.217 -1.576 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.658 -11.547 -0.965 1.00 0.00 H new ATOM 0 HG3 MET A 88 7.437 -11.450 0.288 1.00 0.00 H new ATOM 0 HE1 MET A 88 6.660 -11.392 -4.279 1.00 0.00 H new ATOM 0 HE2 MET A 88 7.118 -9.866 -3.486 1.00 0.00 H new ATOM 0 HE3 MET A 88 8.235 -11.252 -3.462 1.00 0.00 H new ATOM 1397 N ALA A 89 7.900 -6.964 1.029 1.00 0.00 N ATOM 1398 CA ALA A 89 7.810 -5.514 1.127 1.00 0.00 C ATOM 1399 C ALA A 89 8.901 -4.980 2.023 1.00 0.00 C ATOM 1400 O ALA A 89 9.546 -3.987 1.714 1.00 0.00 O ATOM 1401 CB ALA A 89 6.479 -5.113 1.695 1.00 0.00 C ATOM 0 H ALA A 89 7.095 -7.455 1.417 1.00 0.00 H new ATOM 0 HA ALA A 89 7.923 -5.099 0.125 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.425 -4.026 1.763 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.682 -5.476 1.046 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.363 -5.545 2.689 1.00 0.00 H new ATOM 1407 N LYS A 90 9.123 -5.674 3.117 1.00 0.00 N ATOM 1408 CA LYS A 90 10.131 -5.294 4.096 1.00 0.00 C ATOM 1409 C LYS A 90 11.542 -5.557 3.571 1.00 0.00 C ATOM 1410 O LYS A 90 12.530 -5.142 4.163 1.00 0.00 O ATOM 1411 CB LYS A 90 9.885 -6.011 5.436 1.00 0.00 C ATOM 1412 CG LYS A 90 8.481 -5.778 5.967 1.00 0.00 C ATOM 1413 CD LYS A 90 8.234 -6.371 7.349 1.00 0.00 C ATOM 1414 CE LYS A 90 8.998 -5.622 8.434 1.00 0.00 C ATOM 1415 NZ LYS A 90 8.524 -5.993 9.785 1.00 0.00 N ATOM 0 H LYS A 90 8.610 -6.522 3.359 1.00 0.00 H new ATOM 0 HA LYS A 90 10.046 -4.221 4.270 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.050 -7.081 5.308 1.00 0.00 H new ATOM 0 HB3 LYS A 90 10.611 -5.662 6.170 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.291 -4.705 6.004 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.763 -6.205 5.266 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.167 -6.342 7.571 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.532 -7.419 7.353 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.062 -5.841 8.348 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.880 -4.548 8.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.277 -5.813 10.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.687 -5.425 10.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.274 -7.002 9.800 1.00 0.00 H new ATOM 1429 N ALA A 91 11.625 -6.253 2.466 1.00 0.00 N ATOM 1430 CA ALA A 91 12.894 -6.521 1.834 1.00 0.00 C ATOM 1431 C ALA A 91 13.160 -5.503 0.744 1.00 0.00 C ATOM 1432 O ALA A 91 14.246 -4.933 0.638 1.00 0.00 O ATOM 1433 CB ALA A 91 12.906 -7.930 1.248 1.00 0.00 C ATOM 0 H ALA A 91 10.820 -6.649 1.980 1.00 0.00 H new ATOM 0 HA ALA A 91 13.680 -6.447 2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 91 13.869 -8.119 0.774 1.00 0.00 H new ATOM 0 HB2 ALA A 91 12.745 -8.657 2.044 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.113 -8.022 0.506 1.00 0.00 H new ATOM 1439 N GLU A 92 12.137 -5.262 -0.016 1.00 0.00 N ATOM 1440 CA GLU A 92 12.184 -4.442 -1.202 1.00 0.00 C ATOM 1441 C GLU A 92 11.902 -2.959 -0.916 1.00 0.00 C ATOM 1442 O GLU A 92 12.766 -2.101 -1.125 1.00 0.00 O ATOM 1443 CB GLU A 92 11.143 -4.983 -2.134 1.00 0.00 C ATOM 1444 CG GLU A 92 11.373 -6.425 -2.549 1.00 0.00 C ATOM 1445 CD GLU A 92 12.566 -6.634 -3.434 1.00 0.00 C ATOM 1446 OE1 GLU A 92 12.501 -6.299 -4.641 1.00 0.00 O ATOM 1447 OE2 GLU A 92 13.587 -7.151 -2.948 1.00 0.00 O ATOM 0 H GLU A 92 11.209 -5.642 0.174 1.00 0.00 H new ATOM 0 HA GLU A 92 13.187 -4.481 -1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 92 10.167 -4.905 -1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 92 11.111 -4.360 -3.028 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.490 -7.034 -1.652 1.00 0.00 H new ATOM 0 HG3 GLU A 92 10.485 -6.787 -3.066 1.00 0.00 H new ATOM 1454 N MET A 93 10.696 -2.673 -0.411 1.00 0.00 N ATOM 1455 CA MET A 93 10.243 -1.292 -0.139 1.00 0.00 C ATOM 1456 C MET A 93 10.985 -0.667 1.018 1.00 0.00 C ATOM 1457 O MET A 93 11.017 0.551 1.167 1.00 0.00 O ATOM 1458 CB MET A 93 8.706 -1.198 0.056 1.00 0.00 C ATOM 1459 CG MET A 93 7.915 -1.158 -1.225 1.00 0.00 C ATOM 1460 SD MET A 93 8.230 0.310 -2.220 1.00 0.00 S ATOM 1461 CE MET A 93 7.769 1.621 -1.075 1.00 0.00 C ATOM 0 H MET A 93 10.004 -3.386 -0.178 1.00 0.00 H new ATOM 0 HA MET A 93 10.485 -0.713 -1.030 1.00 0.00 H new ATOM 0 HB2 MET A 93 8.375 -2.052 0.646 1.00 0.00 H new ATOM 0 HB3 MET A 93 8.480 -0.303 0.636 1.00 0.00 H new ATOM 0 HG2 MET A 93 8.149 -2.044 -1.815 1.00 0.00 H new ATOM 0 HG3 MET A 93 6.852 -1.205 -0.988 1.00 0.00 H new ATOM 0 HE1 MET A 93 7.348 2.459 -1.631 1.00 0.00 H new ATOM 0 HE2 MET A 93 7.027 1.245 -0.370 1.00 0.00 H new ATOM 0 HE3 MET A 93 8.652 1.954 -0.529 1.00 0.00 H new