USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 554 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 60 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 81 ASN : amide:sc= -0.206 K(o=-0.21,f=-0.95) USER MOD Set 2.1: A 28 MET CE :methyl -178:sc= 0 (180deg=-0.00569) USER MOD Set 2.2: A 75 HIS : no HE2:sc= 0.117 K(o=0.12,f=-0.45) USER MOD Single : A 7 THR OG1 : rot -19:sc= 0.397 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 9 THR OG1 : rot 180:sc=-0.00835 USER MOD Single : A 13 HIS : no HE2:sc= 1.12 K(o=1.1,f=-3.3!) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 180:sc= -0.0446 USER MOD Single : A 33 ASN : amide:sc= 1.13 K(o=1.1,f=-5!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.0875 X(o=-0.088,f=-0.088) USER MOD Single : A 57 HIS : no HD1:sc= -0.293 X(o=-0.29,f=-0.0058) USER MOD Single : A 59 CYS SG : rot -140:sc= -0.127 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= -0.024 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N THR A 7 6.379 10.454 -1.505 1.00 0.00 N ATOM 102 CA THR A 7 6.235 10.705 -2.930 1.00 0.00 C ATOM 103 C THR A 7 5.589 9.495 -3.609 1.00 0.00 C ATOM 104 O THR A 7 5.853 8.347 -3.238 1.00 0.00 O ATOM 105 CB THR A 7 7.611 11.043 -3.549 1.00 0.00 C ATOM 106 OG1 THR A 7 8.662 10.290 -2.952 1.00 0.00 O ATOM 107 CG2 THR A 7 7.975 12.525 -3.400 1.00 0.00 C ATOM 0 HA THR A 7 5.582 11.563 -3.087 1.00 0.00 H new ATOM 0 HB THR A 7 7.513 10.791 -4.605 1.00 0.00 H new ATOM 0 HG1 THR A 7 8.366 9.947 -2.083 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.950 12.707 -3.852 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.224 13.136 -3.900 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.010 12.786 -2.342 1.00 0.00 H new ATOM 115 N ASN A 8 4.755 9.758 -4.618 1.00 0.00 N ATOM 116 CA ASN A 8 4.216 8.747 -5.533 1.00 0.00 C ATOM 117 C ASN A 8 4.870 9.024 -6.869 1.00 0.00 C ATOM 118 O ASN A 8 4.872 10.175 -7.313 1.00 0.00 O ATOM 119 CB ASN A 8 2.680 8.811 -5.661 1.00 0.00 C ATOM 120 CG ASN A 8 1.936 8.026 -4.582 1.00 0.00 C ATOM 121 OD1 ASN A 8 2.416 7.849 -3.467 1.00 0.00 O ATOM 122 ND2 ASN A 8 0.736 7.546 -4.876 1.00 0.00 N ATOM 0 H ASN A 8 4.428 10.701 -4.827 1.00 0.00 H new ATOM 0 HA ASN A 8 4.430 7.746 -5.159 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.365 9.854 -5.620 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.390 8.428 -6.640 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.208 7.027 -4.174 1.00 0.00 H new ATOM 0 HD22 ASN A 8 0.340 7.695 -5.804 1.00 0.00 H new ATOM 129 N THR A 9 5.395 7.978 -7.496 1.00 0.00 N ATOM 130 CA THR A 9 5.979 8.057 -8.820 1.00 0.00 C ATOM 131 C THR A 9 5.059 7.307 -9.778 1.00 0.00 C ATOM 132 O THR A 9 4.432 6.321 -9.395 1.00 0.00 O ATOM 133 CB THR A 9 7.427 7.530 -8.795 1.00 0.00 C ATOM 134 OG1 THR A 9 8.178 8.256 -7.834 1.00 0.00 O ATOM 135 CG2 THR A 9 8.121 7.580 -10.165 1.00 0.00 C ATOM 0 H THR A 9 5.425 7.043 -7.091 1.00 0.00 H new ATOM 0 HA THR A 9 6.056 9.086 -9.170 1.00 0.00 H new ATOM 0 HB THR A 9 7.378 6.476 -8.521 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.098 7.920 -7.816 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.136 7.194 -10.073 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.565 6.971 -10.877 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.155 8.611 -10.518 1.00 0.00 H new ATOM 143 N TRP A 10 5.013 7.739 -11.032 1.00 0.00 N ATOM 144 CA TRP A 10 4.375 7.058 -12.148 1.00 0.00 C ATOM 145 C TRP A 10 5.339 7.122 -13.325 1.00 0.00 C ATOM 146 O TRP A 10 6.265 7.932 -13.318 1.00 0.00 O ATOM 147 CB TRP A 10 3.043 7.746 -12.478 1.00 0.00 C ATOM 148 CG TRP A 10 2.038 7.723 -11.371 1.00 0.00 C ATOM 149 CD1 TRP A 10 1.095 6.781 -11.189 1.00 0.00 C ATOM 150 CD2 TRP A 10 1.831 8.683 -10.299 1.00 0.00 C ATOM 151 NE1 TRP A 10 0.335 7.072 -10.074 1.00 0.00 N ATOM 152 CE2 TRP A 10 0.715 8.271 -9.514 1.00 0.00 C ATOM 153 CE3 TRP A 10 2.457 9.887 -9.946 1.00 0.00 C ATOM 154 CZ2 TRP A 10 0.221 9.048 -8.455 1.00 0.00 C ATOM 155 CZ3 TRP A 10 1.960 10.683 -8.906 1.00 0.00 C ATOM 156 CH2 TRP A 10 0.837 10.278 -8.164 1.00 0.00 C ATOM 0 H TRP A 10 5.443 8.621 -11.311 1.00 0.00 H new ATOM 0 HA TRP A 10 4.154 6.018 -11.908 1.00 0.00 H new ATOM 0 HB2 TRP A 10 3.242 8.783 -12.748 1.00 0.00 H new ATOM 0 HB3 TRP A 10 2.609 7.266 -13.355 1.00 0.00 H new ATOM 0 HD1 TRP A 10 0.953 5.920 -11.825 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -0.410 6.477 -9.712 1.00 0.00 H new ATOM 0 HE3 TRP A 10 3.337 10.206 -10.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -0.621 8.706 -7.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 2.445 11.619 -8.672 1.00 0.00 H new ATOM 0 HH2 TRP A 10 0.450 10.907 -7.376 1.00 0.00 H new ATOM 167 N VAL A 11 5.125 6.297 -14.343 1.00 0.00 N ATOM 168 CA VAL A 11 5.822 6.402 -15.612 1.00 0.00 C ATOM 169 C VAL A 11 4.795 6.349 -16.743 1.00 0.00 C ATOM 170 O VAL A 11 3.824 5.594 -16.661 1.00 0.00 O ATOM 171 CB VAL A 11 6.971 5.380 -15.712 1.00 0.00 C ATOM 172 CG1 VAL A 11 6.491 3.921 -15.694 1.00 0.00 C ATOM 173 CG2 VAL A 11 7.843 5.657 -16.951 1.00 0.00 C ATOM 0 H VAL A 11 4.455 5.529 -14.307 1.00 0.00 H new ATOM 0 HA VAL A 11 6.329 7.363 -15.699 1.00 0.00 H new ATOM 0 HB VAL A 11 7.577 5.512 -14.816 1.00 0.00 H new ATOM 0 HG11 VAL A 11 7.350 3.254 -15.768 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.958 3.725 -14.764 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.824 3.747 -16.538 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.648 4.923 -17.001 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.231 5.586 -17.850 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.269 6.658 -16.880 1.00 0.00 H new ATOM 183 N LEU A 12 4.999 7.157 -17.785 1.00 0.00 N ATOM 184 CA LEU A 12 4.140 7.248 -18.951 1.00 0.00 C ATOM 185 C LEU A 12 5.002 7.195 -20.206 1.00 0.00 C ATOM 186 O LEU A 12 6.012 7.892 -20.261 1.00 0.00 O ATOM 187 CB LEU A 12 3.352 8.574 -18.878 1.00 0.00 C ATOM 188 CG LEU A 12 1.856 8.423 -19.168 1.00 0.00 C ATOM 189 CD1 LEU A 12 1.570 7.712 -20.490 1.00 0.00 C ATOM 190 CD2 LEU A 12 1.188 7.673 -18.014 1.00 0.00 C ATOM 0 H LEU A 12 5.800 7.787 -17.835 1.00 0.00 H new ATOM 0 HA LEU A 12 3.434 6.418 -18.980 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.478 9.006 -17.885 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.781 9.280 -19.589 1.00 0.00 H new ATOM 0 HG LEU A 12 1.442 9.427 -19.260 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.493 7.637 -20.637 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.009 8.279 -21.311 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.004 6.712 -20.467 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.123 7.565 -18.219 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.640 6.686 -17.911 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.324 8.233 -17.089 1.00 0.00 H new ATOM 202 N HIS A 13 4.624 6.405 -21.207 1.00 0.00 N ATOM 203 CA HIS A 13 5.335 6.303 -22.471 1.00 0.00 C ATOM 204 C HIS A 13 4.594 7.126 -23.528 1.00 0.00 C ATOM 205 O HIS A 13 3.401 6.890 -23.749 1.00 0.00 O ATOM 206 CB HIS A 13 5.451 4.821 -22.851 1.00 0.00 C ATOM 207 CG HIS A 13 6.173 4.537 -24.146 1.00 0.00 C ATOM 208 ND1 HIS A 13 7.291 5.178 -24.630 1.00 0.00 N ATOM 209 CD2 HIS A 13 5.867 3.539 -25.036 1.00 0.00 C ATOM 210 CE1 HIS A 13 7.653 4.575 -25.776 1.00 0.00 C ATOM 211 NE2 HIS A 13 6.812 3.568 -26.072 1.00 0.00 N ATOM 0 H HIS A 13 3.799 5.808 -21.158 1.00 0.00 H new ATOM 0 HA HIS A 13 6.345 6.706 -22.394 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.966 4.297 -22.046 1.00 0.00 H new ATOM 0 HB3 HIS A 13 4.447 4.401 -22.915 1.00 0.00 H new ATOM 0 HD1 HIS A 13 7.762 5.971 -24.195 1.00 0.00 H new ATOM 0 HD2 HIS A 13 5.040 2.849 -24.953 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.504 4.861 -26.377 1.00 0.00 H new ATOM 219 N MET A 14 5.287 8.052 -24.202 1.00 0.00 N ATOM 220 CA MET A 14 4.776 8.773 -25.361 1.00 0.00 C ATOM 221 C MET A 14 5.925 9.029 -26.336 1.00 0.00 C ATOM 222 O MET A 14 7.017 9.397 -25.907 1.00 0.00 O ATOM 223 CB MET A 14 4.161 10.142 -25.005 1.00 0.00 C ATOM 224 CG MET A 14 3.062 10.188 -23.938 1.00 0.00 C ATOM 225 SD MET A 14 3.688 10.291 -22.240 1.00 0.00 S ATOM 226 CE MET A 14 2.528 11.487 -21.532 1.00 0.00 C ATOM 0 H MET A 14 6.237 8.322 -23.947 1.00 0.00 H new ATOM 0 HA MET A 14 3.993 8.150 -25.793 1.00 0.00 H new ATOM 0 HB2 MET A 14 4.970 10.795 -24.678 1.00 0.00 H new ATOM 0 HB3 MET A 14 3.754 10.572 -25.920 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.419 11.047 -24.130 1.00 0.00 H new ATOM 0 HG3 MET A 14 2.441 9.297 -24.032 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.778 11.661 -20.485 1.00 0.00 H new ATOM 0 HE2 MET A 14 2.593 12.426 -22.081 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.513 11.095 -21.602 1.00 0.00 H new ATOM 236 N ASP A 15 5.659 8.888 -27.636 1.00 0.00 N ATOM 237 CA ASP A 15 6.544 9.289 -28.741 1.00 0.00 C ATOM 238 C ASP A 15 8.015 8.876 -28.547 1.00 0.00 C ATOM 239 O ASP A 15 8.946 9.665 -28.737 1.00 0.00 O ATOM 240 CB ASP A 15 6.351 10.781 -29.054 1.00 0.00 C ATOM 241 CG ASP A 15 7.069 11.208 -30.349 1.00 0.00 C ATOM 242 OD1 ASP A 15 7.024 10.459 -31.356 1.00 0.00 O ATOM 243 OD2 ASP A 15 7.629 12.332 -30.397 1.00 0.00 O ATOM 0 H ASP A 15 4.786 8.475 -27.965 1.00 0.00 H new ATOM 0 HA ASP A 15 6.245 8.725 -29.624 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.286 10.995 -29.145 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.726 11.376 -28.221 1.00 0.00 H new ATOM 248 N GLY A 16 8.227 7.619 -28.138 1.00 0.00 N ATOM 249 CA GLY A 16 9.558 7.037 -27.983 1.00 0.00 C ATOM 250 C GLY A 16 10.270 7.425 -26.678 1.00 0.00 C ATOM 251 O GLY A 16 11.376 6.935 -26.430 1.00 0.00 O ATOM 0 H GLY A 16 7.471 6.975 -27.904 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.474 5.951 -28.029 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.177 7.345 -28.826 1.00 0.00 H new ATOM 255 N GLU A 17 9.657 8.254 -25.828 1.00 0.00 N ATOM 256 CA GLU A 17 10.173 8.682 -24.540 1.00 0.00 C ATOM 257 C GLU A 17 9.364 8.057 -23.408 1.00 0.00 C ATOM 258 O GLU A 17 8.224 7.624 -23.599 1.00 0.00 O ATOM 259 CB GLU A 17 10.186 10.220 -24.431 1.00 0.00 C ATOM 260 CG GLU A 17 11.350 10.821 -25.228 1.00 0.00 C ATOM 261 CD GLU A 17 11.444 12.348 -25.041 1.00 0.00 C ATOM 262 OE1 GLU A 17 12.130 12.801 -24.090 1.00 0.00 O ATOM 263 OE2 GLU A 17 10.873 13.108 -25.862 1.00 0.00 O ATOM 0 H GLU A 17 8.745 8.660 -26.036 1.00 0.00 H new ATOM 0 HA GLU A 17 11.204 8.338 -24.453 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.243 10.622 -24.801 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.269 10.513 -23.384 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.285 10.358 -24.911 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.223 10.592 -26.286 1.00 0.00 H new ATOM 270 N ASN A 18 9.957 8.014 -22.217 1.00 0.00 N ATOM 271 CA ASN A 18 9.291 7.660 -20.977 1.00 0.00 C ATOM 272 C ASN A 18 9.413 8.857 -20.047 1.00 0.00 C ATOM 273 O ASN A 18 10.505 9.405 -19.859 1.00 0.00 O ATOM 274 CB ASN A 18 9.867 6.379 -20.355 1.00 0.00 C ATOM 275 CG ASN A 18 9.176 5.141 -20.920 1.00 0.00 C ATOM 276 OD1 ASN A 18 8.186 4.668 -20.369 1.00 0.00 O ATOM 277 ND2 ASN A 18 9.649 4.610 -22.039 1.00 0.00 N ATOM 0 H ASN A 18 10.945 8.232 -22.090 1.00 0.00 H new ATOM 0 HA ASN A 18 8.241 7.434 -21.163 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.938 6.324 -20.551 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.743 6.408 -19.273 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.190 3.799 -22.452 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.472 5.013 -22.486 1.00 0.00 H new ATOM 284 N PHE A 19 8.286 9.262 -19.473 1.00 0.00 N ATOM 285 CA PHE A 19 8.167 10.397 -18.579 1.00 0.00 C ATOM 286 C PHE A 19 7.893 9.861 -17.184 1.00 0.00 C ATOM 287 O PHE A 19 6.804 9.352 -16.920 1.00 0.00 O ATOM 288 CB PHE A 19 7.062 11.335 -19.089 1.00 0.00 C ATOM 289 CG PHE A 19 7.383 11.927 -20.447 1.00 0.00 C ATOM 290 CD1 PHE A 19 8.146 13.105 -20.547 1.00 0.00 C ATOM 291 CD2 PHE A 19 6.972 11.263 -21.616 1.00 0.00 C ATOM 292 CE1 PHE A 19 8.494 13.616 -21.811 1.00 0.00 C ATOM 293 CE2 PHE A 19 7.331 11.766 -22.878 1.00 0.00 C ATOM 294 CZ PHE A 19 8.091 12.943 -22.978 1.00 0.00 C ATOM 0 H PHE A 19 7.397 8.786 -19.627 1.00 0.00 H new ATOM 0 HA PHE A 19 9.084 10.986 -18.545 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.123 10.785 -19.149 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.914 12.141 -18.371 1.00 0.00 H new ATOM 0 HD1 PHE A 19 8.465 13.618 -19.652 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.379 10.364 -21.544 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.071 14.526 -21.885 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.022 11.246 -23.773 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.365 13.330 -23.948 1.00 0.00 H new ATOM 304 N ARG A 20 8.886 9.928 -16.298 1.00 0.00 N ATOM 305 CA ARG A 20 8.701 9.667 -14.879 1.00 0.00 C ATOM 306 C ARG A 20 7.962 10.885 -14.341 1.00 0.00 C ATOM 307 O ARG A 20 8.403 12.011 -14.570 1.00 0.00 O ATOM 308 CB ARG A 20 10.058 9.473 -14.162 1.00 0.00 C ATOM 309 CG ARG A 20 10.140 8.177 -13.334 1.00 0.00 C ATOM 310 CD ARG A 20 10.373 6.912 -14.168 1.00 0.00 C ATOM 311 NE ARG A 20 11.708 6.905 -14.804 1.00 0.00 N ATOM 312 CZ ARG A 20 12.263 5.891 -15.485 1.00 0.00 C ATOM 313 NH1 ARG A 20 11.627 4.729 -15.621 1.00 0.00 N ATOM 314 NH2 ARG A 20 13.464 6.046 -16.034 1.00 0.00 N ATOM 0 H ARG A 20 9.845 10.167 -16.550 1.00 0.00 H new ATOM 0 HA ARG A 20 8.142 8.747 -14.708 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.855 9.470 -14.906 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.238 10.325 -13.506 1.00 0.00 H new ATOM 0 HG2 ARG A 20 10.947 8.274 -12.608 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.215 8.061 -12.769 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.271 6.034 -13.531 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.605 6.839 -14.938 1.00 0.00 H new ATOM 0 HE ARG A 20 12.263 7.757 -14.716 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.705 4.601 -15.204 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.062 3.967 -16.142 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.959 6.933 -15.936 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.891 5.278 -16.553 1.00 0.00 H new ATOM 328 N ILE A 21 6.876 10.674 -13.616 1.00 0.00 N ATOM 329 CA ILE A 21 6.156 11.697 -12.885 1.00 0.00 C ATOM 330 C ILE A 21 6.445 11.407 -11.426 1.00 0.00 C ATOM 331 O ILE A 21 6.336 10.246 -11.047 1.00 0.00 O ATOM 332 CB ILE A 21 4.645 11.604 -13.187 1.00 0.00 C ATOM 333 CG1 ILE A 21 4.349 11.843 -14.680 1.00 0.00 C ATOM 334 CG2 ILE A 21 3.773 12.508 -12.290 1.00 0.00 C ATOM 335 CD1 ILE A 21 4.626 13.262 -15.178 1.00 0.00 C ATOM 0 H ILE A 21 6.458 9.749 -13.518 1.00 0.00 H new ATOM 0 HA ILE A 21 6.463 12.706 -13.162 1.00 0.00 H new ATOM 0 HB ILE A 21 4.362 10.581 -12.941 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.945 11.145 -15.269 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.302 11.606 -14.869 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.724 12.388 -12.562 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.912 12.227 -11.246 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.066 13.549 -12.428 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.387 13.328 -16.239 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.010 13.969 -14.622 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.679 13.501 -15.028 1.00 0.00 H new ATOM 347 N VAL A 22 6.739 12.409 -10.602 1.00 0.00 N ATOM 348 CA VAL A 22 6.818 12.254 -9.166 1.00 0.00 C ATOM 349 C VAL A 22 6.001 13.381 -8.548 1.00 0.00 C ATOM 350 O VAL A 22 6.305 14.551 -8.766 1.00 0.00 O ATOM 351 CB VAL A 22 8.281 12.240 -8.680 1.00 0.00 C ATOM 352 CG1 VAL A 22 8.340 11.868 -7.192 1.00 0.00 C ATOM 353 CG2 VAL A 22 9.161 11.241 -9.446 1.00 0.00 C ATOM 0 H VAL A 22 6.930 13.358 -10.923 1.00 0.00 H new ATOM 0 HA VAL A 22 6.408 11.293 -8.855 1.00 0.00 H new ATOM 0 HB VAL A 22 8.665 13.245 -8.857 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.378 11.861 -6.860 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.778 12.600 -6.612 1.00 0.00 H new ATOM 0 HG13 VAL A 22 7.906 10.879 -7.047 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.178 11.279 -9.057 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.762 10.234 -9.321 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.168 11.499 -10.505 1.00 0.00 H new ATOM 363 N LEU A 23 4.957 13.036 -7.798 1.00 0.00 N ATOM 364 CA LEU A 23 4.219 13.983 -6.971 1.00 0.00 C ATOM 365 C LEU A 23 4.920 14.018 -5.617 1.00 0.00 C ATOM 366 O LEU A 23 5.097 12.967 -4.996 1.00 0.00 O ATOM 367 CB LEU A 23 2.768 13.496 -6.790 1.00 0.00 C ATOM 368 CG LEU A 23 1.986 14.182 -5.642 1.00 0.00 C ATOM 369 CD1 LEU A 23 1.627 15.636 -5.940 1.00 0.00 C ATOM 370 CD2 LEU A 23 0.709 13.403 -5.327 1.00 0.00 C ATOM 0 H LEU A 23 4.598 12.083 -7.748 1.00 0.00 H new ATOM 0 HA LEU A 23 4.193 14.971 -7.430 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.228 13.655 -7.723 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.781 12.421 -6.609 1.00 0.00 H new ATOM 0 HG LEU A 23 2.654 14.182 -4.780 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.081 16.056 -5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.539 16.210 -6.104 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.004 15.681 -6.834 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.171 13.898 -4.518 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.077 13.366 -6.214 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.967 12.388 -5.023 1.00 0.00 H new ATOM 382 N GLU A 24 5.253 15.207 -5.136 1.00 0.00 N ATOM 383 CA GLU A 24 5.716 15.458 -3.782 1.00 0.00 C ATOM 384 C GLU A 24 4.447 15.625 -2.960 1.00 0.00 C ATOM 385 O GLU A 24 3.741 16.617 -3.138 1.00 0.00 O ATOM 386 CB GLU A 24 6.570 16.735 -3.777 1.00 0.00 C ATOM 387 CG GLU A 24 7.923 16.541 -4.471 1.00 0.00 C ATOM 388 CD GLU A 24 9.048 15.927 -3.615 1.00 0.00 C ATOM 389 OE1 GLU A 24 8.885 15.719 -2.389 1.00 0.00 O ATOM 390 OE2 GLU A 24 10.138 15.688 -4.192 1.00 0.00 O ATOM 0 H GLU A 24 5.206 16.055 -5.701 1.00 0.00 H new ATOM 0 HA GLU A 24 6.337 14.659 -3.378 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.022 17.536 -4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.736 17.053 -2.748 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.772 15.906 -5.344 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.262 17.510 -4.837 1.00 0.00 H new ATOM 397 N LYS A 25 4.108 14.673 -2.085 1.00 0.00 N ATOM 398 CA LYS A 25 2.782 14.704 -1.445 1.00 0.00 C ATOM 399 C LYS A 25 2.676 15.822 -0.410 1.00 0.00 C ATOM 400 O LYS A 25 1.590 16.361 -0.202 1.00 0.00 O ATOM 401 CB LYS A 25 2.424 13.351 -0.827 1.00 0.00 C ATOM 402 CG LYS A 25 2.079 12.348 -1.940 1.00 0.00 C ATOM 403 CD LYS A 25 1.921 10.916 -1.429 1.00 0.00 C ATOM 404 CE LYS A 25 0.732 10.754 -0.458 1.00 0.00 C ATOM 405 NZ LYS A 25 0.583 9.351 0.029 1.00 0.00 N ATOM 0 H LYS A 25 4.707 13.895 -1.808 1.00 0.00 H new ATOM 0 HA LYS A 25 2.057 14.915 -2.231 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.260 12.978 -0.235 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.578 13.462 -0.149 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.154 12.658 -2.426 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.862 12.373 -2.698 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.785 10.245 -2.278 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.839 10.611 -0.926 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.869 11.419 0.395 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.186 11.062 -0.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.228 9.293 0.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.425 8.717 -0.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.448 9.064 0.530 1.00 0.00 H new ATOM 419 N ASP A 26 3.787 16.171 0.243 1.00 0.00 N ATOM 420 CA ASP A 26 3.791 17.224 1.256 1.00 0.00 C ATOM 421 C ASP A 26 3.572 18.602 0.619 1.00 0.00 C ATOM 422 O ASP A 26 2.791 19.410 1.129 1.00 0.00 O ATOM 423 CB ASP A 26 5.102 17.208 2.046 1.00 0.00 C ATOM 424 CG ASP A 26 5.128 18.354 3.074 1.00 0.00 C ATOM 425 OD1 ASP A 26 4.442 18.245 4.117 1.00 0.00 O ATOM 426 OD2 ASP A 26 5.846 19.357 2.847 1.00 0.00 O ATOM 0 H ASP A 26 4.697 15.737 0.086 1.00 0.00 H new ATOM 0 HA ASP A 26 2.967 17.030 1.943 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.214 16.251 2.556 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.946 17.305 1.363 1.00 0.00 H new ATOM 431 N ALA A 27 4.239 18.854 -0.515 1.00 0.00 N ATOM 432 CA ALA A 27 4.251 20.148 -1.183 1.00 0.00 C ATOM 433 C ALA A 27 3.188 20.276 -2.284 1.00 0.00 C ATOM 434 O ALA A 27 2.890 21.392 -2.715 1.00 0.00 O ATOM 435 CB ALA A 27 5.651 20.391 -1.758 1.00 0.00 C ATOM 0 H ALA A 27 4.793 18.147 -0.997 1.00 0.00 H new ATOM 0 HA ALA A 27 4.001 20.906 -0.441 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.675 21.357 -2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 27 6.382 20.385 -0.950 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.893 19.604 -2.472 1.00 0.00 H new ATOM 441 N MET A 28 2.629 19.154 -2.753 1.00 0.00 N ATOM 442 CA MET A 28 1.770 19.051 -3.931 1.00 0.00 C ATOM 443 C MET A 28 2.441 19.612 -5.200 1.00 0.00 C ATOM 444 O MET A 28 1.761 20.079 -6.117 1.00 0.00 O ATOM 445 CB MET A 28 0.337 19.553 -3.666 1.00 0.00 C ATOM 446 CG MET A 28 -0.370 18.735 -2.575 1.00 0.00 C ATOM 447 SD MET A 28 -0.628 16.967 -2.922 1.00 0.00 S ATOM 448 CE MET A 28 -1.839 17.031 -4.272 1.00 0.00 C ATOM 0 H MET A 28 2.772 18.253 -2.297 1.00 0.00 H new ATOM 0 HA MET A 28 1.640 17.991 -4.147 1.00 0.00 H new ATOM 0 HB2 MET A 28 0.370 20.601 -3.368 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.241 19.502 -4.589 1.00 0.00 H new ATOM 0 HG2 MET A 28 0.209 18.821 -1.655 1.00 0.00 H new ATOM 0 HG3 MET A 28 -1.342 19.190 -2.384 1.00 0.00 H new ATOM 0 HE1 MET A 28 -2.116 16.017 -4.561 1.00 0.00 H new ATOM 0 HE2 MET A 28 -2.727 17.569 -3.939 1.00 0.00 H new ATOM 0 HE3 MET A 28 -1.403 17.546 -5.128 1.00 0.00 H new ATOM 458 N ASP A 29 3.778 19.562 -5.260 1.00 0.00 N ATOM 459 CA ASP A 29 4.540 19.846 -6.474 1.00 0.00 C ATOM 460 C ASP A 29 4.595 18.561 -7.285 1.00 0.00 C ATOM 461 O ASP A 29 4.608 17.470 -6.707 1.00 0.00 O ATOM 462 CB ASP A 29 5.973 20.336 -6.206 1.00 0.00 C ATOM 463 CG ASP A 29 6.040 21.845 -5.921 1.00 0.00 C ATOM 464 OD1 ASP A 29 5.670 22.648 -6.812 1.00 0.00 O ATOM 465 OD2 ASP A 29 6.483 22.241 -4.815 1.00 0.00 O ATOM 0 H ASP A 29 4.362 19.321 -4.459 1.00 0.00 H new ATOM 0 HA ASP A 29 4.039 20.656 -7.004 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.386 19.791 -5.357 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.599 20.105 -7.068 1.00 0.00 H new ATOM 470 N VAL A 30 4.657 18.657 -8.612 1.00 0.00 N ATOM 471 CA VAL A 30 4.817 17.493 -9.472 1.00 0.00 C ATOM 472 C VAL A 30 6.022 17.746 -10.369 1.00 0.00 C ATOM 473 O VAL A 30 6.098 18.761 -11.068 1.00 0.00 O ATOM 474 CB VAL A 30 3.517 17.184 -10.235 1.00 0.00 C ATOM 475 CG1 VAL A 30 3.669 15.975 -11.168 1.00 0.00 C ATOM 476 CG2 VAL A 30 2.330 16.929 -9.298 1.00 0.00 C ATOM 0 H VAL A 30 4.598 19.541 -9.117 1.00 0.00 H new ATOM 0 HA VAL A 30 5.010 16.592 -8.890 1.00 0.00 H new ATOM 0 HB VAL A 30 3.316 18.077 -10.827 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.727 15.794 -11.686 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.452 16.176 -11.899 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.936 15.095 -10.583 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.439 16.716 -9.889 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.551 16.077 -8.655 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.155 17.812 -8.684 1.00 0.00 H new ATOM 486 N TRP A 31 6.964 16.811 -10.333 1.00 0.00 N ATOM 487 CA TRP A 31 8.131 16.784 -11.190 1.00 0.00 C ATOM 488 C TRP A 31 7.835 15.848 -12.358 1.00 0.00 C ATOM 489 O TRP A 31 7.282 14.766 -12.146 1.00 0.00 O ATOM 490 CB TRP A 31 9.361 16.301 -10.398 1.00 0.00 C ATOM 491 CG TRP A 31 9.552 16.839 -9.004 1.00 0.00 C ATOM 492 CD1 TRP A 31 9.907 16.095 -7.931 1.00 0.00 C ATOM 493 CD2 TRP A 31 9.402 18.201 -8.489 1.00 0.00 C ATOM 494 NE1 TRP A 31 10.020 16.894 -6.816 1.00 0.00 N ATOM 495 CE2 TRP A 31 9.740 18.207 -7.103 1.00 0.00 C ATOM 496 CE3 TRP A 31 8.989 19.431 -9.039 1.00 0.00 C ATOM 497 CZ2 TRP A 31 9.714 19.371 -6.317 1.00 0.00 C ATOM 498 CZ3 TRP A 31 8.930 20.600 -8.254 1.00 0.00 C ATOM 499 CH2 TRP A 31 9.308 20.578 -6.902 1.00 0.00 C ATOM 0 H TRP A 31 6.930 16.026 -9.682 1.00 0.00 H new ATOM 0 HA TRP A 31 8.353 17.783 -11.564 1.00 0.00 H new ATOM 0 HB2 TRP A 31 9.313 15.214 -10.334 1.00 0.00 H new ATOM 0 HB3 TRP A 31 10.251 16.547 -10.977 1.00 0.00 H new ATOM 0 HD1 TRP A 31 10.077 15.029 -7.947 1.00 0.00 H new ATOM 0 HE1 TRP A 31 10.280 16.553 -5.891 1.00 0.00 H new ATOM 0 HE3 TRP A 31 8.712 19.479 -10.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 10.003 19.336 -5.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 8.590 21.524 -8.698 1.00 0.00 H new ATOM 0 HH2 TRP A 31 9.286 21.485 -6.317 1.00 0.00 H new ATOM 510 N CYS A 32 8.222 16.226 -13.573 1.00 0.00 N ATOM 511 CA CYS A 32 8.206 15.350 -14.738 1.00 0.00 C ATOM 512 C CYS A 32 9.639 15.277 -15.259 1.00 0.00 C ATOM 513 O CYS A 32 10.221 16.312 -15.578 1.00 0.00 O ATOM 514 CB CYS A 32 7.209 15.893 -15.764 1.00 0.00 C ATOM 515 SG CYS A 32 7.137 14.813 -17.222 1.00 0.00 S ATOM 0 H CYS A 32 8.561 17.166 -13.778 1.00 0.00 H new ATOM 0 HA CYS A 32 7.874 14.339 -14.501 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.220 15.969 -15.312 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.501 16.899 -16.065 1.00 0.00 H new ATOM 0 HG CYS A 32 6.283 15.294 -18.076 1.00 0.00 H new ATOM 521 N ASN A 33 10.225 14.074 -15.294 1.00 0.00 N ATOM 522 CA ASN A 33 11.634 13.815 -15.647 1.00 0.00 C ATOM 523 C ASN A 33 12.596 14.790 -14.940 1.00 0.00 C ATOM 524 O ASN A 33 13.540 15.309 -15.541 1.00 0.00 O ATOM 525 CB ASN A 33 11.830 13.717 -17.183 1.00 0.00 C ATOM 526 CG ASN A 33 11.462 12.352 -17.763 1.00 0.00 C ATOM 527 OD1 ASN A 33 11.144 11.413 -17.042 1.00 0.00 O ATOM 528 ND2 ASN A 33 11.493 12.187 -19.076 1.00 0.00 N ATOM 0 H ASN A 33 9.715 13.220 -15.069 1.00 0.00 H new ATOM 0 HA ASN A 33 11.904 12.832 -15.262 1.00 0.00 H new ATOM 0 HB2 ASN A 33 11.224 14.483 -17.667 1.00 0.00 H new ATOM 0 HB3 ASN A 33 12.871 13.935 -17.422 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.253 11.283 -19.482 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.757 12.964 -19.682 1.00 0.00 H new ATOM 535 N GLY A 34 12.340 15.064 -13.651 1.00 0.00 N ATOM 536 CA GLY A 34 13.188 15.918 -12.818 1.00 0.00 C ATOM 537 C GLY A 34 13.071 17.418 -13.122 1.00 0.00 C ATOM 538 O GLY A 34 13.831 18.204 -12.554 1.00 0.00 O ATOM 0 H GLY A 34 11.529 14.693 -13.157 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.934 15.751 -11.771 1.00 0.00 H new ATOM 0 HA3 GLY A 34 14.227 15.614 -12.946 1.00 0.00 H new ATOM 542 N LYS A 35 12.142 17.836 -13.989 1.00 0.00 N ATOM 543 CA LYS A 35 11.828 19.240 -14.266 1.00 0.00 C ATOM 544 C LYS A 35 10.504 19.563 -13.584 1.00 0.00 C ATOM 545 O LYS A 35 9.670 18.673 -13.406 1.00 0.00 O ATOM 546 CB LYS A 35 11.754 19.489 -15.789 1.00 0.00 C ATOM 547 CG LYS A 35 13.004 19.078 -16.589 1.00 0.00 C ATOM 548 CD LYS A 35 14.287 19.799 -16.142 1.00 0.00 C ATOM 549 CE LYS A 35 15.458 19.391 -17.051 1.00 0.00 C ATOM 550 NZ LYS A 35 16.727 20.071 -16.676 1.00 0.00 N ATOM 0 H LYS A 35 11.572 17.187 -14.532 1.00 0.00 H new ATOM 0 HA LYS A 35 12.610 19.892 -13.877 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.895 18.948 -16.187 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.569 20.550 -15.958 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.149 18.002 -16.492 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.832 19.282 -17.646 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.142 20.878 -16.183 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.514 19.548 -15.106 1.00 0.00 H new ATOM 0 HE2 LYS A 35 15.597 18.311 -16.998 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.212 19.630 -18.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.487 19.765 -17.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 16.604 21.101 -16.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 16.978 19.823 -15.698 1.00 0.00 H new ATOM 564 N LYS A 36 10.282 20.821 -13.202 1.00 0.00 N ATOM 565 CA LYS A 36 9.011 21.239 -12.620 1.00 0.00 C ATOM 566 C LYS A 36 8.021 21.497 -13.755 1.00 0.00 C ATOM 567 O LYS A 36 8.428 21.945 -14.830 1.00 0.00 O ATOM 568 CB LYS A 36 9.151 22.463 -11.687 1.00 0.00 C ATOM 569 CG LYS A 36 10.339 22.426 -10.702 1.00 0.00 C ATOM 570 CD LYS A 36 11.632 23.119 -11.172 1.00 0.00 C ATOM 571 CE LYS A 36 11.464 24.647 -11.258 1.00 0.00 C ATOM 572 NZ LYS A 36 12.736 25.339 -11.600 1.00 0.00 N ATOM 0 H LYS A 36 10.970 21.569 -13.287 1.00 0.00 H new ATOM 0 HA LYS A 36 8.638 20.438 -11.981 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.243 23.357 -12.304 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.230 22.565 -11.112 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.023 22.888 -9.766 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.569 21.384 -10.481 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.443 22.881 -10.483 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.919 22.729 -12.149 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.711 24.885 -12.009 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.094 25.023 -10.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.572 26.365 -11.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.449 25.135 -10.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 13.078 25.001 -12.522 1.00 0.00 H new ATOM 586 N LEU A 37 6.732 21.251 -13.510 1.00 0.00 N ATOM 587 CA LEU A 37 5.641 21.627 -14.404 1.00 0.00 C ATOM 588 C LEU A 37 4.544 22.365 -13.640 1.00 0.00 C ATOM 589 O LEU A 37 4.522 22.381 -12.407 1.00 0.00 O ATOM 590 CB LEU A 37 5.152 20.438 -15.242 1.00 0.00 C ATOM 591 CG LEU A 37 4.669 19.200 -14.477 1.00 0.00 C ATOM 592 CD1 LEU A 37 3.357 19.382 -13.715 1.00 0.00 C ATOM 593 CD2 LEU A 37 4.470 18.059 -15.479 1.00 0.00 C ATOM 0 H LEU A 37 6.414 20.775 -12.666 1.00 0.00 H new ATOM 0 HA LEU A 37 6.017 22.339 -15.139 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.336 20.784 -15.877 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.963 20.133 -15.903 1.00 0.00 H new ATOM 0 HG LEU A 37 5.437 18.993 -13.731 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.099 18.453 -13.207 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.471 20.178 -12.979 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.564 19.645 -14.414 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.126 17.169 -14.953 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.727 18.352 -16.221 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.415 17.844 -15.977 1.00 0.00 H new ATOM 605 N GLU A 38 3.663 23.018 -14.394 1.00 0.00 N ATOM 606 CA GLU A 38 2.551 23.802 -13.885 1.00 0.00 C ATOM 607 C GLU A 38 1.407 22.884 -13.444 1.00 0.00 C ATOM 608 O GLU A 38 1.183 21.837 -14.053 1.00 0.00 O ATOM 609 CB GLU A 38 2.092 24.822 -14.941 1.00 0.00 C ATOM 610 CG GLU A 38 1.533 24.175 -16.222 1.00 0.00 C ATOM 611 CD GLU A 38 1.249 25.232 -17.304 1.00 0.00 C ATOM 612 OE1 GLU A 38 0.140 25.816 -17.310 1.00 0.00 O ATOM 613 OE2 GLU A 38 2.131 25.481 -18.162 1.00 0.00 O ATOM 0 H GLU A 38 3.710 23.013 -15.413 1.00 0.00 H new ATOM 0 HA GLU A 38 2.879 24.360 -13.008 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.327 25.464 -14.505 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.933 25.463 -15.205 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.245 23.444 -16.603 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.616 23.635 -15.989 1.00 0.00 H new ATOM 620 N THR A 39 0.657 23.296 -12.426 1.00 0.00 N ATOM 621 CA THR A 39 -0.478 22.552 -11.887 1.00 0.00 C ATOM 622 C THR A 39 -1.624 23.512 -11.558 1.00 0.00 C ATOM 623 O THR A 39 -1.394 24.666 -11.180 1.00 0.00 O ATOM 624 CB THR A 39 -0.052 21.717 -10.660 1.00 0.00 C ATOM 625 OG1 THR A 39 0.915 22.374 -9.847 1.00 0.00 O ATOM 626 CG2 THR A 39 0.535 20.366 -11.086 1.00 0.00 C ATOM 0 H THR A 39 0.825 24.177 -11.941 1.00 0.00 H new ATOM 0 HA THR A 39 -0.836 21.851 -12.641 1.00 0.00 H new ATOM 0 HB THR A 39 -0.963 21.577 -10.079 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.146 21.801 -9.086 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.826 19.800 -10.201 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.213 19.805 -11.646 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.410 20.531 -11.715 1.00 0.00 H new ATOM 634 N ALA A 40 -2.854 23.014 -11.677 1.00 0.00 N ATOM 635 CA ALA A 40 -4.083 23.656 -11.220 1.00 0.00 C ATOM 636 C ALA A 40 -4.825 22.601 -10.407 1.00 0.00 C ATOM 637 O ALA A 40 -4.783 21.429 -10.780 1.00 0.00 O ATOM 638 CB ALA A 40 -4.913 24.125 -12.422 1.00 0.00 C ATOM 0 H ALA A 40 -3.027 22.109 -12.115 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.884 24.541 -10.616 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.827 24.602 -12.069 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.334 24.839 -13.008 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.168 23.268 -13.045 1.00 0.00 H new ATOM 644 N GLY A 41 -5.473 22.978 -9.306 1.00 0.00 N ATOM 645 CA GLY A 41 -6.102 22.044 -8.386 1.00 0.00 C ATOM 646 C GLY A 41 -7.580 22.376 -8.335 1.00 0.00 C ATOM 647 O GLY A 41 -7.957 23.396 -7.753 1.00 0.00 O ATOM 0 H GLY A 41 -5.575 23.954 -9.028 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.951 21.017 -8.720 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.657 22.125 -7.394 1.00 0.00 H new ATOM 651 N GLU A 42 -8.404 21.535 -8.958 1.00 0.00 N ATOM 652 CA GLU A 42 -9.849 21.608 -8.822 1.00 0.00 C ATOM 653 C GLU A 42 -10.286 20.678 -7.697 1.00 0.00 C ATOM 654 O GLU A 42 -9.655 19.651 -7.450 1.00 0.00 O ATOM 655 CB GLU A 42 -10.561 21.284 -10.146 1.00 0.00 C ATOM 656 CG GLU A 42 -10.691 22.563 -10.975 1.00 0.00 C ATOM 657 CD GLU A 42 -11.472 22.350 -12.287 1.00 0.00 C ATOM 658 OE1 GLU A 42 -12.702 22.097 -12.235 1.00 0.00 O ATOM 659 OE2 GLU A 42 -10.877 22.492 -13.383 1.00 0.00 O ATOM 0 H GLU A 42 -8.084 20.785 -9.571 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.135 22.629 -8.569 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.999 20.533 -10.701 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.547 20.863 -9.949 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -11.192 23.327 -10.380 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.696 22.942 -11.208 1.00 0.00 H new ATOM 666 N PHE A 43 -11.370 21.036 -7.015 1.00 0.00 N ATOM 667 CA PHE A 43 -11.898 20.274 -5.886 1.00 0.00 C ATOM 668 C PHE A 43 -13.330 19.856 -6.191 1.00 0.00 C ATOM 669 O PHE A 43 -14.112 20.655 -6.718 1.00 0.00 O ATOM 670 CB PHE A 43 -11.819 21.105 -4.601 1.00 0.00 C ATOM 671 CG PHE A 43 -12.219 20.338 -3.356 1.00 0.00 C ATOM 672 CD1 PHE A 43 -11.320 19.424 -2.774 1.00 0.00 C ATOM 673 CD2 PHE A 43 -13.495 20.522 -2.787 1.00 0.00 C ATOM 674 CE1 PHE A 43 -11.695 18.696 -1.629 1.00 0.00 C ATOM 675 CE2 PHE A 43 -13.870 19.793 -1.644 1.00 0.00 C ATOM 676 CZ PHE A 43 -12.971 18.880 -1.066 1.00 0.00 C ATOM 0 H PHE A 43 -11.913 21.872 -7.232 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.298 19.377 -5.733 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -10.801 21.474 -4.479 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -12.464 21.978 -4.703 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.341 19.281 -3.207 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -14.186 21.224 -3.229 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -11.003 17.997 -1.183 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -14.849 19.935 -1.210 1.00 0.00 H new ATOM 0 HZ PHE A 43 -13.260 18.319 -0.189 1.00 0.00 H new ATOM 686 N VAL A 44 -13.672 18.619 -5.843 1.00 0.00 N ATOM 687 CA VAL A 44 -14.991 18.037 -5.994 1.00 0.00 C ATOM 688 C VAL A 44 -15.433 17.366 -4.694 1.00 0.00 C ATOM 689 O VAL A 44 -14.625 17.104 -3.800 1.00 0.00 O ATOM 690 CB VAL A 44 -14.991 17.040 -7.172 1.00 0.00 C ATOM 691 CG1 VAL A 44 -15.279 17.778 -8.479 1.00 0.00 C ATOM 692 CG2 VAL A 44 -13.726 16.175 -7.284 1.00 0.00 C ATOM 0 H VAL A 44 -13.003 17.970 -5.430 1.00 0.00 H new ATOM 0 HA VAL A 44 -15.708 18.827 -6.215 1.00 0.00 H new ATOM 0 HB VAL A 44 -15.790 16.328 -6.965 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -15.277 17.068 -9.306 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -16.254 18.261 -8.417 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -14.511 18.533 -8.648 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -13.817 15.506 -8.140 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -12.856 16.818 -7.417 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -13.606 15.586 -6.375 1.00 0.00 H new ATOM 702 N ASP A 45 -16.721 17.022 -4.621 1.00 0.00 N ATOM 703 CA ASP A 45 -17.336 16.291 -3.508 1.00 0.00 C ATOM 704 C ASP A 45 -16.988 14.792 -3.586 1.00 0.00 C ATOM 705 O ASP A 45 -17.847 13.906 -3.576 1.00 0.00 O ATOM 706 CB ASP A 45 -18.844 16.573 -3.440 1.00 0.00 C ATOM 707 CG ASP A 45 -19.500 15.917 -2.210 1.00 0.00 C ATOM 708 OD1 ASP A 45 -18.919 15.972 -1.096 1.00 0.00 O ATOM 709 OD2 ASP A 45 -20.639 15.398 -2.339 1.00 0.00 O ATOM 0 H ASP A 45 -17.387 17.252 -5.359 1.00 0.00 H new ATOM 0 HA ASP A 45 -16.921 16.649 -2.566 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -19.010 17.650 -3.408 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -19.323 16.203 -4.347 1.00 0.00 H new ATOM 714 N ASP A 46 -15.696 14.527 -3.775 1.00 0.00 N ATOM 715 CA ASP A 46 -15.078 13.234 -4.057 1.00 0.00 C ATOM 716 C ASP A 46 -13.580 13.262 -3.717 1.00 0.00 C ATOM 717 O ASP A 46 -13.023 12.248 -3.289 1.00 0.00 O ATOM 718 CB ASP A 46 -15.250 12.922 -5.547 1.00 0.00 C ATOM 719 CG ASP A 46 -14.473 11.665 -5.966 1.00 0.00 C ATOM 720 OD1 ASP A 46 -14.918 10.541 -5.630 1.00 0.00 O ATOM 721 OD2 ASP A 46 -13.451 11.807 -6.681 1.00 0.00 O ATOM 0 H ASP A 46 -15.000 15.271 -3.731 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.558 12.469 -3.447 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.308 12.784 -5.769 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.909 13.773 -6.137 1.00 0.00 H new ATOM 726 N GLY A 47 -12.921 14.417 -3.858 1.00 0.00 N ATOM 727 CA GLY A 47 -11.489 14.563 -3.673 1.00 0.00 C ATOM 728 C GLY A 47 -11.002 15.782 -4.447 1.00 0.00 C ATOM 729 O GLY A 47 -11.762 16.720 -4.697 1.00 0.00 O ATOM 0 H GLY A 47 -13.386 15.290 -4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.257 14.674 -2.614 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.973 13.668 -4.020 1.00 0.00 H new ATOM 733 N THR A 48 -9.743 15.750 -4.867 1.00 0.00 N ATOM 734 CA THR A 48 -9.094 16.830 -5.593 1.00 0.00 C ATOM 735 C THR A 48 -8.599 16.267 -6.923 1.00 0.00 C ATOM 736 O THR A 48 -8.269 15.082 -7.022 1.00 0.00 O ATOM 737 CB THR A 48 -7.960 17.456 -4.755 1.00 0.00 C ATOM 738 OG1 THR A 48 -8.261 17.467 -3.365 1.00 0.00 O ATOM 739 CG2 THR A 48 -7.639 18.900 -5.155 1.00 0.00 C ATOM 0 H THR A 48 -9.131 14.950 -4.707 1.00 0.00 H new ATOM 0 HA THR A 48 -9.797 17.639 -5.789 1.00 0.00 H new ATOM 0 HB THR A 48 -7.098 16.820 -4.957 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.516 17.870 -2.872 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.833 19.281 -4.527 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.329 18.928 -6.200 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.526 19.520 -5.023 1.00 0.00 H new ATOM 747 N GLU A 49 -8.528 17.111 -7.939 1.00 0.00 N ATOM 748 CA GLU A 49 -8.007 16.803 -9.255 1.00 0.00 C ATOM 749 C GLU A 49 -6.928 17.842 -9.566 1.00 0.00 C ATOM 750 O GLU A 49 -7.238 19.013 -9.794 1.00 0.00 O ATOM 751 CB GLU A 49 -9.141 16.795 -10.295 1.00 0.00 C ATOM 752 CG GLU A 49 -10.170 15.681 -10.047 1.00 0.00 C ATOM 753 CD GLU A 49 -11.344 15.761 -11.042 1.00 0.00 C ATOM 754 OE1 GLU A 49 -12.215 16.653 -10.894 1.00 0.00 O ATOM 755 OE2 GLU A 49 -11.434 14.900 -11.951 1.00 0.00 O ATOM 0 H GLU A 49 -8.849 18.076 -7.862 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.567 15.806 -9.288 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.647 17.760 -10.281 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.714 16.673 -11.290 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.684 14.710 -10.135 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.550 15.756 -9.028 1.00 0.00 H new ATOM 762 N THR A 50 -5.658 17.437 -9.530 1.00 0.00 N ATOM 763 CA THR A 50 -4.535 18.302 -9.876 1.00 0.00 C ATOM 764 C THR A 50 -4.247 18.097 -11.360 1.00 0.00 C ATOM 765 O THR A 50 -3.676 17.068 -11.712 1.00 0.00 O ATOM 766 CB THR A 50 -3.331 17.984 -8.973 1.00 0.00 C ATOM 767 OG1 THR A 50 -3.633 18.300 -7.623 1.00 0.00 O ATOM 768 CG2 THR A 50 -2.065 18.746 -9.387 1.00 0.00 C ATOM 0 H THR A 50 -5.380 16.494 -9.258 1.00 0.00 H new ATOM 0 HA THR A 50 -4.763 19.355 -9.708 1.00 0.00 H new ATOM 0 HB THR A 50 -3.135 16.917 -9.082 1.00 0.00 H new ATOM 0 HG1 THR A 50 -2.860 18.092 -7.058 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.247 18.484 -8.716 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.797 18.478 -10.409 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.251 19.819 -9.331 1.00 0.00 H new ATOM 776 N HIS A 51 -4.647 19.031 -12.220 1.00 0.00 N ATOM 777 CA HIS A 51 -4.550 18.922 -13.674 1.00 0.00 C ATOM 778 C HIS A 51 -3.219 19.480 -14.181 1.00 0.00 C ATOM 779 O HIS A 51 -2.709 20.454 -13.618 1.00 0.00 O ATOM 780 CB HIS A 51 -5.712 19.675 -14.338 1.00 0.00 C ATOM 781 CG HIS A 51 -7.075 19.088 -14.067 1.00 0.00 C ATOM 782 ND1 HIS A 51 -7.733 18.169 -14.855 1.00 0.00 N ATOM 783 CD2 HIS A 51 -7.923 19.419 -13.041 1.00 0.00 C ATOM 784 CE1 HIS A 51 -8.939 17.935 -14.303 1.00 0.00 C ATOM 785 NE2 HIS A 51 -9.104 18.681 -13.196 1.00 0.00 N ATOM 0 H HIS A 51 -5.060 19.912 -11.915 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.603 17.865 -13.937 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.701 20.709 -13.995 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.547 19.695 -15.415 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -7.716 20.126 -12.251 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -9.671 17.245 -14.695 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -9.925 18.705 -12.591 1.00 0.00 H new ATOM 793 N PHE A 52 -2.692 18.895 -15.261 1.00 0.00 N ATOM 794 CA PHE A 52 -1.557 19.381 -16.047 1.00 0.00 C ATOM 795 C PHE A 52 -1.628 18.744 -17.447 1.00 0.00 C ATOM 796 O PHE A 52 -2.560 17.993 -17.738 1.00 0.00 O ATOM 797 CB PHE A 52 -0.226 19.107 -15.323 1.00 0.00 C ATOM 798 CG PHE A 52 0.052 17.682 -14.884 1.00 0.00 C ATOM 799 CD1 PHE A 52 -0.406 17.255 -13.622 1.00 0.00 C ATOM 800 CD2 PHE A 52 0.829 16.816 -15.676 1.00 0.00 C ATOM 801 CE1 PHE A 52 -0.072 15.980 -13.140 1.00 0.00 C ATOM 802 CE2 PHE A 52 1.150 15.532 -15.194 1.00 0.00 C ATOM 803 CZ PHE A 52 0.711 15.120 -13.923 1.00 0.00 C ATOM 0 H PHE A 52 -3.068 18.021 -15.629 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.607 20.464 -16.162 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.585 19.421 -15.980 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.186 19.745 -14.440 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.018 17.913 -13.022 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.177 17.134 -16.648 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.418 15.662 -12.168 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.736 14.860 -15.804 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.977 14.142 -13.550 1.00 0.00 H new ATOM 813 N SER A 53 -0.664 19.024 -18.326 1.00 0.00 N ATOM 814 CA SER A 53 -0.584 18.454 -19.671 1.00 0.00 C ATOM 815 C SER A 53 0.883 18.243 -20.046 1.00 0.00 C ATOM 816 O SER A 53 1.757 18.985 -19.589 1.00 0.00 O ATOM 817 CB SER A 53 -1.268 19.350 -20.714 1.00 0.00 C ATOM 818 OG SER A 53 -2.615 19.650 -20.365 1.00 0.00 O ATOM 0 H SER A 53 0.099 19.668 -18.117 1.00 0.00 H new ATOM 0 HA SER A 53 -1.109 17.499 -19.665 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.706 20.278 -20.818 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.248 18.855 -21.685 1.00 0.00 H new ATOM 0 HG SER A 53 -3.012 20.223 -21.054 1.00 0.00 H new ATOM 824 N ILE A 54 1.146 17.229 -20.871 1.00 0.00 N ATOM 825 CA ILE A 54 2.462 16.835 -21.355 1.00 0.00 C ATOM 826 C ILE A 54 2.263 16.617 -22.855 1.00 0.00 C ATOM 827 O ILE A 54 1.547 15.698 -23.265 1.00 0.00 O ATOM 828 CB ILE A 54 2.950 15.580 -20.587 1.00 0.00 C ATOM 829 CG1 ILE A 54 3.197 15.937 -19.102 1.00 0.00 C ATOM 830 CG2 ILE A 54 4.238 14.994 -21.200 1.00 0.00 C ATOM 831 CD1 ILE A 54 3.291 14.732 -18.173 1.00 0.00 C ATOM 0 H ILE A 54 0.405 16.631 -21.237 1.00 0.00 H new ATOM 0 HA ILE A 54 3.244 17.576 -21.188 1.00 0.00 H new ATOM 0 HB ILE A 54 2.170 14.823 -20.664 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.121 16.511 -19.028 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.391 16.584 -18.757 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.545 14.116 -20.631 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.051 14.709 -22.235 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.030 15.742 -21.167 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.465 15.072 -17.152 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.359 14.168 -18.214 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.116 14.093 -18.488 1.00 0.00 H new ATOM 843 N GLY A 55 2.849 17.490 -23.677 1.00 0.00 N ATOM 844 CA GLY A 55 2.557 17.521 -25.104 1.00 0.00 C ATOM 845 C GLY A 55 1.065 17.792 -25.301 1.00 0.00 C ATOM 846 O GLY A 55 0.490 18.657 -24.633 1.00 0.00 O ATOM 0 H GLY A 55 3.530 18.186 -23.373 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.148 18.296 -25.592 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.831 16.572 -25.565 1.00 0.00 H new ATOM 850 N ASN A 56 0.425 17.025 -26.185 1.00 0.00 N ATOM 851 CA ASN A 56 -1.012 17.122 -26.448 1.00 0.00 C ATOM 852 C ASN A 56 -1.857 16.432 -25.361 1.00 0.00 C ATOM 853 O ASN A 56 -3.071 16.638 -25.310 1.00 0.00 O ATOM 854 CB ASN A 56 -1.295 16.502 -27.829 1.00 0.00 C ATOM 855 CG ASN A 56 -2.765 16.608 -28.235 1.00 0.00 C ATOM 856 OD1 ASN A 56 -3.490 15.613 -28.259 1.00 0.00 O ATOM 857 ND2 ASN A 56 -3.234 17.799 -28.583 1.00 0.00 N ATOM 0 H ASN A 56 0.894 16.312 -26.744 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.298 18.174 -26.435 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.679 16.999 -28.579 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.000 15.453 -27.819 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.206 17.899 -28.875 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -2.622 18.615 -28.559 1.00 0.00 H new ATOM 864 N HIS A 57 -1.249 15.607 -24.501 1.00 0.00 N ATOM 865 CA HIS A 57 -1.968 14.740 -23.575 1.00 0.00 C ATOM 866 C HIS A 57 -2.237 15.504 -22.284 1.00 0.00 C ATOM 867 O HIS A 57 -1.298 16.024 -21.677 1.00 0.00 O ATOM 868 CB HIS A 57 -1.152 13.467 -23.292 1.00 0.00 C ATOM 869 CG HIS A 57 -0.671 12.761 -24.538 1.00 0.00 C ATOM 870 ND1 HIS A 57 -1.425 11.983 -25.390 1.00 0.00 N ATOM 871 CD2 HIS A 57 0.597 12.810 -25.055 1.00 0.00 C ATOM 872 CE1 HIS A 57 -0.627 11.569 -26.392 1.00 0.00 C ATOM 873 NE2 HIS A 57 0.621 12.048 -26.232 1.00 0.00 N ATOM 0 H HIS A 57 -0.235 15.525 -24.432 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.917 14.439 -24.019 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.290 13.728 -22.678 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.762 12.778 -22.708 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.434 13.344 -24.629 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.944 10.940 -27.211 1.00 0.00 H new ATOM 0 HE2 HIS A 57 1.422 11.889 -26.843 1.00 0.00 H new ATOM 881 N ASP A 58 -3.492 15.558 -21.838 1.00 0.00 N ATOM 882 CA ASP A 58 -3.808 16.072 -20.506 1.00 0.00 C ATOM 883 C ASP A 58 -3.674 14.946 -19.486 1.00 0.00 C ATOM 884 O ASP A 58 -3.872 13.763 -19.795 1.00 0.00 O ATOM 885 CB ASP A 58 -5.176 16.754 -20.417 1.00 0.00 C ATOM 886 CG ASP A 58 -6.307 15.762 -20.089 1.00 0.00 C ATOM 887 OD1 ASP A 58 -6.837 15.119 -21.028 1.00 0.00 O ATOM 888 OD2 ASP A 58 -6.691 15.650 -18.899 1.00 0.00 O ATOM 0 H ASP A 58 -4.303 15.254 -22.377 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.088 16.859 -20.281 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.143 17.529 -19.651 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.394 17.249 -21.363 1.00 0.00 H new ATOM 893 N CYS A 59 -3.319 15.334 -18.268 1.00 0.00 N ATOM 894 CA CYS A 59 -3.089 14.458 -17.139 1.00 0.00 C ATOM 895 C CYS A 59 -3.735 15.092 -15.915 1.00 0.00 C ATOM 896 O CYS A 59 -3.808 16.320 -15.819 1.00 0.00 O ATOM 897 CB CYS A 59 -1.588 14.309 -16.846 1.00 0.00 C ATOM 898 SG CYS A 59 -0.583 14.180 -18.352 1.00 0.00 S ATOM 0 H CYS A 59 -3.178 16.317 -18.035 1.00 0.00 H new ATOM 0 HA CYS A 59 -3.506 13.477 -17.367 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.250 15.165 -16.262 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.429 13.422 -16.232 1.00 0.00 H new ATOM 0 HG CYS A 59 0.354 13.297 -18.174 1.00 0.00 H new ATOM 904 N TYR A 60 -4.156 14.290 -14.947 1.00 0.00 N ATOM 905 CA TYR A 60 -4.552 14.823 -13.665 1.00 0.00 C ATOM 906 C TYR A 60 -4.233 13.815 -12.580 1.00 0.00 C ATOM 907 O TYR A 60 -4.391 12.617 -12.786 1.00 0.00 O ATOM 908 CB TYR A 60 -6.011 15.295 -13.665 1.00 0.00 C ATOM 909 CG TYR A 60 -7.100 14.247 -13.811 1.00 0.00 C ATOM 910 CD1 TYR A 60 -7.435 13.418 -12.725 1.00 0.00 C ATOM 911 CD2 TYR A 60 -7.827 14.154 -15.013 1.00 0.00 C ATOM 912 CE1 TYR A 60 -8.486 12.492 -12.839 1.00 0.00 C ATOM 913 CE2 TYR A 60 -8.926 13.282 -15.108 1.00 0.00 C ATOM 914 CZ TYR A 60 -9.266 12.448 -14.016 1.00 0.00 C ATOM 915 OH TYR A 60 -10.299 11.558 -14.103 1.00 0.00 O ATOM 0 H TYR A 60 -4.230 13.276 -15.030 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.974 15.723 -13.452 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.188 15.833 -12.733 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.129 16.014 -14.475 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.882 13.493 -11.800 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.540 14.754 -15.864 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.698 11.813 -12.026 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.511 13.249 -16.015 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.739 11.652 -14.974 1.00 0.00 H new ATOM 925 N ILE A 61 -3.787 14.268 -11.413 1.00 0.00 N ATOM 926 CA ILE A 61 -3.679 13.390 -10.259 1.00 0.00 C ATOM 927 C ILE A 61 -5.042 13.467 -9.588 1.00 0.00 C ATOM 928 O ILE A 61 -5.470 14.556 -9.204 1.00 0.00 O ATOM 929 CB ILE A 61 -2.504 13.778 -9.345 1.00 0.00 C ATOM 930 CG1 ILE A 61 -1.161 13.583 -10.083 1.00 0.00 C ATOM 931 CG2 ILE A 61 -2.514 12.937 -8.053 1.00 0.00 C ATOM 932 CD1 ILE A 61 -0.043 14.437 -9.476 1.00 0.00 C ATOM 0 H ILE A 61 -3.497 15.231 -11.244 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.445 12.361 -10.533 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.617 14.829 -9.079 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.876 12.532 -10.045 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.284 13.842 -11.135 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.674 13.229 -7.422 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.447 13.106 -7.516 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.428 11.880 -8.306 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.883 14.268 -10.026 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.315 15.491 -9.538 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.100 14.160 -8.431 1.00 0.00 H new ATOM 944 N LYS A 62 -5.723 12.332 -9.464 1.00 0.00 N ATOM 945 CA LYS A 62 -6.929 12.217 -8.668 1.00 0.00 C ATOM 946 C LYS A 62 -6.434 11.938 -7.259 1.00 0.00 C ATOM 947 O LYS A 62 -5.747 10.940 -7.047 1.00 0.00 O ATOM 948 CB LYS A 62 -7.823 11.096 -9.235 1.00 0.00 C ATOM 949 CG LYS A 62 -9.320 11.417 -9.110 1.00 0.00 C ATOM 950 CD LYS A 62 -10.170 10.318 -9.773 1.00 0.00 C ATOM 951 CE LYS A 62 -11.660 10.695 -9.692 1.00 0.00 C ATOM 952 NZ LYS A 62 -12.545 9.691 -10.342 1.00 0.00 N ATOM 0 H LYS A 62 -5.447 11.462 -9.919 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.551 13.112 -8.679 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.576 10.934 -10.284 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.609 10.165 -8.710 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.591 11.508 -8.058 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.531 12.379 -9.578 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.873 10.193 -10.814 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.999 9.363 -9.276 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.947 10.802 -8.646 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.811 11.666 -10.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -13.536 9.995 -10.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.293 9.606 -11.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -12.425 8.769 -9.876 1.00 0.00 H new ATOM 966 N ALA A 63 -6.732 12.825 -6.322 1.00 0.00 N ATOM 967 CA ALA A 63 -6.474 12.643 -4.910 1.00 0.00 C ATOM 968 C ALA A 63 -7.846 12.401 -4.292 1.00 0.00 C ATOM 969 O ALA A 63 -8.570 13.350 -4.004 1.00 0.00 O ATOM 970 CB ALA A 63 -5.752 13.871 -4.369 1.00 0.00 C ATOM 0 H ALA A 63 -7.174 13.719 -6.535 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.818 11.804 -4.676 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.556 13.738 -3.305 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.808 14.001 -4.899 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.375 14.753 -4.516 1.00 0.00 H new ATOM 976 N VAL A 64 -8.240 11.141 -4.177 1.00 0.00 N ATOM 977 CA VAL A 64 -9.583 10.711 -3.836 1.00 0.00 C ATOM 978 C VAL A 64 -9.736 10.565 -2.326 1.00 0.00 C ATOM 979 O VAL A 64 -8.957 9.848 -1.698 1.00 0.00 O ATOM 980 CB VAL A 64 -9.912 9.371 -4.541 1.00 0.00 C ATOM 981 CG1 VAL A 64 -11.393 9.340 -4.920 1.00 0.00 C ATOM 982 CG2 VAL A 64 -9.069 9.053 -5.788 1.00 0.00 C ATOM 0 H VAL A 64 -7.603 10.359 -4.326 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.285 11.471 -4.180 1.00 0.00 H new ATOM 0 HB VAL A 64 -9.660 8.601 -3.812 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.622 8.397 -5.416 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.001 9.434 -4.020 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.613 10.167 -5.595 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.380 8.094 -6.203 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.213 9.835 -6.533 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -8.016 9.004 -5.512 1.00 0.00 H new ATOM 992 N SER A 65 -10.764 11.160 -1.734 1.00 0.00 N ATOM 993 CA SER A 65 -11.032 11.125 -0.301 1.00 0.00 C ATOM 994 C SER A 65 -11.736 9.825 0.142 1.00 0.00 C ATOM 995 O SER A 65 -12.562 9.843 1.057 1.00 0.00 O ATOM 996 CB SER A 65 -11.797 12.396 0.085 1.00 0.00 C ATOM 997 OG SER A 65 -11.095 13.546 -0.366 1.00 0.00 O ATOM 0 H SER A 65 -11.457 11.698 -2.255 1.00 0.00 H new ATOM 0 HA SER A 65 -10.087 11.112 0.243 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.795 12.375 -0.352 1.00 0.00 H new ATOM 0 HB3 SER A 65 -11.924 12.439 1.167 1.00 0.00 H new ATOM 0 HG SER A 65 -11.593 14.352 -0.116 1.00 0.00 H new ATOM 1111 N ILE A 73 -6.128 10.049 1.759 1.00 0.00 N ATOM 1112 CA ILE A 73 -6.542 10.390 0.408 1.00 0.00 C ATOM 1113 C ILE A 73 -5.690 9.565 -0.572 1.00 0.00 C ATOM 1114 O ILE A 73 -4.457 9.572 -0.494 1.00 0.00 O ATOM 1115 CB ILE A 73 -6.433 11.921 0.261 1.00 0.00 C ATOM 1116 CG1 ILE A 73 -7.415 12.548 1.285 1.00 0.00 C ATOM 1117 CG2 ILE A 73 -6.705 12.381 -1.177 1.00 0.00 C ATOM 1118 CD1 ILE A 73 -7.759 14.011 1.046 1.00 0.00 C ATOM 0 HA ILE A 73 -7.578 10.137 0.183 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.417 12.254 0.471 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -8.339 11.969 1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.985 12.451 2.282 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.618 13.466 -1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.980 11.922 -1.849 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.711 12.082 -1.470 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.451 14.353 1.816 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.849 14.610 1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.224 14.120 0.066 1.00 0.00 H new ATOM 1130 N ILE A 74 -6.341 8.847 -1.490 1.00 0.00 N ATOM 1131 CA ILE A 74 -5.701 7.922 -2.420 1.00 0.00 C ATOM 1132 C ILE A 74 -5.198 8.774 -3.577 1.00 0.00 C ATOM 1133 O ILE A 74 -5.987 9.525 -4.140 1.00 0.00 O ATOM 1134 CB ILE A 74 -6.715 6.842 -2.863 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -7.294 6.050 -1.668 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -6.114 5.886 -3.911 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -6.280 5.249 -0.838 1.00 0.00 C ATOM 0 H ILE A 74 -7.353 8.896 -1.608 1.00 0.00 H new ATOM 0 HA ILE A 74 -4.867 7.381 -1.973 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.542 7.377 -3.330 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.803 6.750 -1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.050 5.361 -2.046 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.859 5.143 -4.195 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.814 6.454 -4.792 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.243 5.384 -3.489 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.798 4.735 -0.028 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.786 4.516 -1.476 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.536 5.927 -0.420 1.00 0.00 H new ATOM 1149 N HIS A 75 -3.918 8.686 -3.934 1.00 0.00 N ATOM 1150 CA HIS A 75 -3.357 9.479 -5.022 1.00 0.00 C ATOM 1151 C HIS A 75 -3.114 8.568 -6.219 1.00 0.00 C ATOM 1152 O HIS A 75 -2.341 7.613 -6.112 1.00 0.00 O ATOM 1153 CB HIS A 75 -2.081 10.186 -4.553 1.00 0.00 C ATOM 1154 CG HIS A 75 -2.374 11.354 -3.647 1.00 0.00 C ATOM 1155 ND1 HIS A 75 -2.757 11.312 -2.322 1.00 0.00 N ATOM 1156 CD2 HIS A 75 -2.366 12.670 -4.021 1.00 0.00 C ATOM 1157 CE1 HIS A 75 -2.940 12.579 -1.909 1.00 0.00 C ATOM 1158 NE2 HIS A 75 -2.711 13.445 -2.910 1.00 0.00 N ATOM 0 H HIS A 75 -3.246 8.067 -3.480 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.054 10.259 -5.328 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -1.445 9.473 -4.028 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.521 10.534 -5.421 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -2.879 10.471 -1.757 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.133 13.046 -5.006 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -3.232 12.862 -0.908 1.00 0.00 H new ATOM 1166 N THR A 76 -3.715 8.904 -7.359 1.00 0.00 N ATOM 1167 CA THR A 76 -3.578 8.168 -8.611 1.00 0.00 C ATOM 1168 C THR A 76 -3.306 9.161 -9.727 1.00 0.00 C ATOM 1169 O THR A 76 -3.920 10.224 -9.741 1.00 0.00 O ATOM 1170 CB THR A 76 -4.849 7.351 -8.922 1.00 0.00 C ATOM 1171 OG1 THR A 76 -5.371 6.735 -7.748 1.00 0.00 O ATOM 1172 CG2 THR A 76 -4.518 6.275 -9.953 1.00 0.00 C ATOM 0 H THR A 76 -4.326 9.717 -7.438 1.00 0.00 H new ATOM 0 HA THR A 76 -2.751 7.464 -8.523 1.00 0.00 H new ATOM 0 HB THR A 76 -5.605 8.032 -9.314 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.177 6.226 -7.976 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.414 5.696 -10.175 1.00 0.00 H new ATOM 0 HG22 THR A 76 -4.155 6.746 -10.866 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.748 5.614 -9.555 1.00 0.00 H new ATOM 1180 N LEU A 77 -2.434 8.826 -10.676 1.00 0.00 N ATOM 1181 CA LEU A 77 -2.284 9.621 -11.881 1.00 0.00 C ATOM 1182 C LEU A 77 -3.280 9.103 -12.905 1.00 0.00 C ATOM 1183 O LEU A 77 -3.386 7.902 -13.117 1.00 0.00 O ATOM 1184 CB LEU A 77 -0.840 9.546 -12.395 1.00 0.00 C ATOM 1185 CG LEU A 77 -0.619 10.300 -13.718 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -0.725 11.815 -13.536 1.00 0.00 C ATOM 1187 CD2 LEU A 77 0.755 9.946 -14.287 1.00 0.00 C ATOM 0 H LEU A 77 -1.824 8.010 -10.629 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.488 10.673 -11.681 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.171 9.955 -11.637 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.565 8.500 -12.532 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.402 9.993 -14.411 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.562 12.309 -14.494 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.717 12.068 -13.161 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.029 12.149 -12.823 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.910 10.481 -15.224 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.529 10.232 -13.574 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.808 8.873 -14.469 1.00 0.00 H new ATOM 1199 N ILE A 78 -4.003 10.002 -13.543 1.00 0.00 N ATOM 1200 CA ILE A 78 -4.836 9.743 -14.694 1.00 0.00 C ATOM 1201 C ILE A 78 -4.147 10.470 -15.858 1.00 0.00 C ATOM 1202 O ILE A 78 -3.646 11.585 -15.681 1.00 0.00 O ATOM 1203 CB ILE A 78 -6.284 10.212 -14.429 1.00 0.00 C ATOM 1204 CG1 ILE A 78 -7.150 9.176 -13.676 1.00 0.00 C ATOM 1205 CG2 ILE A 78 -7.003 10.580 -15.731 1.00 0.00 C ATOM 1206 CD1 ILE A 78 -6.653 8.857 -12.271 1.00 0.00 C ATOM 0 H ILE A 78 -4.024 10.981 -13.256 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.934 8.683 -14.927 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.174 11.089 -13.791 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.172 9.549 -13.613 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.183 8.254 -14.257 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -8.019 10.905 -15.506 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.465 11.387 -16.228 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -7.037 9.710 -16.386 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.313 8.123 -11.809 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.642 8.452 -12.326 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.647 9.767 -11.672 1.00 0.00 H new ATOM 1218 N VAL A 79 -4.128 9.874 -17.050 1.00 0.00 N ATOM 1219 CA VAL A 79 -3.631 10.479 -18.277 1.00 0.00 C ATOM 1220 C VAL A 79 -4.601 10.109 -19.392 1.00 0.00 C ATOM 1221 O VAL A 79 -4.982 8.945 -19.496 1.00 0.00 O ATOM 1222 CB VAL A 79 -2.199 10.008 -18.585 1.00 0.00 C ATOM 1223 CG1 VAL A 79 -1.626 10.711 -19.823 1.00 0.00 C ATOM 1224 CG2 VAL A 79 -1.270 10.258 -17.391 1.00 0.00 C ATOM 0 H VAL A 79 -4.471 8.923 -17.188 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.578 11.563 -18.177 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.255 8.938 -18.784 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.614 10.353 -20.009 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.253 10.493 -20.688 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.604 11.787 -19.653 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.264 9.916 -17.635 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.246 11.324 -17.165 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.638 9.712 -16.523 1.00 0.00 H new ATOM 1234 N ASP A 80 -5.021 11.085 -20.205 1.00 0.00 N ATOM 1235 CA ASP A 80 -6.011 10.896 -21.273 1.00 0.00 C ATOM 1236 C ASP A 80 -7.275 10.171 -20.764 1.00 0.00 C ATOM 1237 O ASP A 80 -7.850 9.313 -21.433 1.00 0.00 O ATOM 1238 CB ASP A 80 -5.364 10.241 -22.503 1.00 0.00 C ATOM 1239 CG ASP A 80 -6.311 10.197 -23.717 1.00 0.00 C ATOM 1240 OD1 ASP A 80 -6.980 11.216 -24.018 1.00 0.00 O ATOM 1241 OD2 ASP A 80 -6.339 9.159 -24.420 1.00 0.00 O ATOM 0 H ASP A 80 -4.678 12.043 -20.139 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.363 11.874 -21.600 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.462 10.791 -22.770 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.056 9.226 -22.250 1.00 0.00 H new ATOM 1246 N ASN A 81 -7.680 10.495 -19.527 1.00 0.00 N ATOM 1247 CA ASN A 81 -8.782 9.885 -18.771 1.00 0.00 C ATOM 1248 C ASN A 81 -8.613 8.383 -18.448 1.00 0.00 C ATOM 1249 O ASN A 81 -9.556 7.748 -17.971 1.00 0.00 O ATOM 1250 CB ASN A 81 -10.146 10.227 -19.401 1.00 0.00 C ATOM 1251 CG ASN A 81 -11.311 10.048 -18.420 1.00 0.00 C ATOM 1252 OD1 ASN A 81 -11.199 10.361 -17.236 1.00 0.00 O ATOM 1253 ND2 ASN A 81 -12.458 9.582 -18.891 1.00 0.00 N ATOM 0 H ASN A 81 -7.219 11.234 -18.997 1.00 0.00 H new ATOM 0 HA ASN A 81 -8.747 10.347 -17.784 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.130 11.258 -19.756 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.309 9.592 -20.272 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -13.260 9.480 -18.270 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -12.539 9.326 -19.875 1.00 0.00 H new ATOM 1260 N ARG A 82 -7.433 7.789 -18.674 1.00 0.00 N ATOM 1261 CA ARG A 82 -7.082 6.440 -18.250 1.00 0.00 C ATOM 1262 C ARG A 82 -6.341 6.509 -16.932 1.00 0.00 C ATOM 1263 O ARG A 82 -5.628 7.474 -16.678 1.00 0.00 O ATOM 1264 CB ARG A 82 -6.214 5.744 -19.309 1.00 0.00 C ATOM 1265 CG ARG A 82 -7.063 5.217 -20.461 1.00 0.00 C ATOM 1266 CD ARG A 82 -7.583 6.284 -21.428 1.00 0.00 C ATOM 1267 NE ARG A 82 -8.276 5.686 -22.581 1.00 0.00 N ATOM 1268 CZ ARG A 82 -9.000 6.366 -23.482 1.00 0.00 C ATOM 1269 NH1 ARG A 82 -9.106 7.691 -23.402 1.00 0.00 N ATOM 1270 NH2 ARG A 82 -9.613 5.711 -24.464 1.00 0.00 N ATOM 0 H ARG A 82 -6.676 8.256 -19.174 1.00 0.00 H new ATOM 0 HA ARG A 82 -7.995 5.858 -18.127 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.472 6.445 -19.692 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -5.668 4.920 -18.850 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.473 4.495 -21.025 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -7.915 4.679 -20.047 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -8.264 6.951 -20.901 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.750 6.892 -21.780 1.00 0.00 H new ATOM 0 HE ARG A 82 -8.200 4.676 -22.704 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -8.635 8.196 -22.652 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.659 8.201 -24.091 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -9.531 4.696 -24.529 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -10.165 6.223 -25.152 1.00 0.00 H new ATOM 1284 N GLU A 83 -6.492 5.478 -16.110 1.00 0.00 N ATOM 1285 CA GLU A 83 -5.929 5.421 -14.774 1.00 0.00 C ATOM 1286 C GLU A 83 -4.561 4.730 -14.808 1.00 0.00 C ATOM 1287 O GLU A 83 -4.410 3.680 -15.437 1.00 0.00 O ATOM 1288 CB GLU A 83 -6.945 4.757 -13.838 1.00 0.00 C ATOM 1289 CG GLU A 83 -6.422 4.648 -12.409 1.00 0.00 C ATOM 1290 CD GLU A 83 -7.476 4.033 -11.472 1.00 0.00 C ATOM 1291 OE1 GLU A 83 -7.506 2.786 -11.332 1.00 0.00 O ATOM 1292 OE2 GLU A 83 -8.273 4.790 -10.867 1.00 0.00 O ATOM 0 H GLU A 83 -7.021 4.643 -16.362 1.00 0.00 H new ATOM 0 HA GLU A 83 -5.741 6.420 -14.381 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.871 5.332 -13.842 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.186 3.762 -14.212 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -5.520 4.037 -12.396 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -6.142 5.637 -12.046 1.00 0.00 H new ATOM 1299 N ILE A 84 -3.579 5.319 -14.117 1.00 0.00 N ATOM 1300 CA ILE A 84 -2.176 4.926 -14.097 1.00 0.00 C ATOM 1301 C ILE A 84 -1.803 4.607 -12.634 1.00 0.00 C ATOM 1302 O ILE A 84 -1.806 5.517 -11.796 1.00 0.00 O ATOM 1303 CB ILE A 84 -1.303 6.060 -14.698 1.00 0.00 C ATOM 1304 CG1 ILE A 84 -1.821 6.634 -16.035 1.00 0.00 C ATOM 1305 CG2 ILE A 84 0.159 5.616 -14.846 1.00 0.00 C ATOM 1306 CD1 ILE A 84 -1.924 5.635 -17.193 1.00 0.00 C ATOM 0 H ILE A 84 -3.758 6.129 -13.524 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.999 4.041 -14.708 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.372 6.874 -13.976 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.806 7.068 -15.865 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.163 7.448 -16.339 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.746 6.431 -15.269 1.00 0.00 H new ATOM 0 HG22 ILE A 84 0.560 5.351 -13.868 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.211 4.750 -15.506 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.298 6.145 -18.081 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.939 5.217 -17.402 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.609 4.832 -16.921 1.00 0.00 H new ATOM 1318 N PRO A 85 -1.488 3.346 -12.287 1.00 0.00 N ATOM 1319 CA PRO A 85 -1.054 2.972 -10.944 1.00 0.00 C ATOM 1320 C PRO A 85 0.377 3.460 -10.674 1.00 0.00 C ATOM 1321 O PRO A 85 1.202 3.533 -11.591 1.00 0.00 O ATOM 1322 CB PRO A 85 -1.166 1.446 -10.888 1.00 0.00 C ATOM 1323 CG PRO A 85 -0.941 1.027 -12.342 1.00 0.00 C ATOM 1324 CD PRO A 85 -1.569 2.170 -13.140 1.00 0.00 C ATOM 0 HA PRO A 85 -1.668 3.434 -10.171 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -0.419 1.011 -10.223 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -2.142 1.127 -10.523 1.00 0.00 H new ATOM 0 HG2 PRO A 85 0.119 0.914 -12.568 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -1.418 0.072 -12.564 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -1.036 2.330 -14.077 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -2.604 1.944 -13.396 1.00 0.00 H new ATOM 1332 N GLU A 86 0.675 3.800 -9.417 1.00 0.00 N ATOM 1333 CA GLU A 86 1.982 4.273 -8.981 1.00 0.00 C ATOM 1334 C GLU A 86 3.022 3.142 -9.030 1.00 0.00 C ATOM 1335 O GLU A 86 2.679 1.954 -9.088 1.00 0.00 O ATOM 1336 CB GLU A 86 1.884 4.952 -7.602 1.00 0.00 C ATOM 1337 CG GLU A 86 1.946 4.000 -6.402 1.00 0.00 C ATOM 1338 CD GLU A 86 0.828 2.934 -6.360 1.00 0.00 C ATOM 1339 OE1 GLU A 86 -0.318 3.210 -6.791 1.00 0.00 O ATOM 1340 OE2 GLU A 86 1.088 1.817 -5.849 1.00 0.00 O ATOM 0 H GLU A 86 -0.006 3.751 -8.659 1.00 0.00 H new ATOM 0 HA GLU A 86 2.332 5.036 -9.676 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.693 5.677 -7.513 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.949 5.510 -7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.911 3.493 -6.408 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.901 4.589 -5.486 1.00 0.00 H new