USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 565 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 56 SER OG : rot -18:sc= 0.414! USER MOD Set 1.2: A 60 CYS SG : rot 47:sc= 0.481 USER MOD Set 2.1: A 53 HIS : no HD1:sc= -3.07 K(o=-5.3,f=-9.7!) USER MOD Set 2.2: A 54 ASN : amide:sc= -2.23 K(o=-5.3,f=-7.3!) USER MOD Set 3.1: A 8 TYR OH : rot -107:sc= -2.18! USER MOD Set 3.2: A 50 SER OG : rot 84:sc= 0.0715 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -120:sc= 0.862 USER MOD Single : A 14 MET CE :methyl -156:sc= -1.81 (180deg=-3.26) USER MOD Single : A 18 GLN : amide:sc= -3.25! C(o=-3.3!,f=-4.5!) USER MOD Single : A 19 SER OG : rot -2:sc= -1.74! USER MOD Single : A 21 GLN : amide:sc= -0.398 K(o=-0.4,f=-2.1!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -80:sc= 1.01 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot -31:sc= -1.4 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.0128 X(o=-0.013,f=-0.074) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 49 ASN : amide:sc= -0.419 X(o=-0.42,f=-0.63) USER MOD Single : A 58 ASN : amide:sc= -1.63 X(o=-1.6,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -2.92! C(o=-2.9!,f=-3.4!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot -60:sc= 0.292 USER MOD ----------------------------------------------------------------- ATOM 105 N SER A 7 11.922 2.307 2.994 1.00 1.00 N ATOM 106 CA SER A 7 12.167 3.251 1.917 1.00 1.00 C ATOM 107 C SER A 7 13.330 2.748 1.059 1.00 1.00 C ATOM 108 O SER A 7 13.901 1.700 1.396 1.00 1.00 O ATOM 109 CB SER A 7 12.472 4.650 2.456 1.00 1.00 C ATOM 110 OG SER A 7 11.829 5.667 1.694 1.00 1.00 O ATOM 0 HA SER A 7 11.265 3.324 1.309 1.00 1.00 H new ATOM 0 HB2 SER A 7 12.149 4.717 3.495 1.00 1.00 H new ATOM 0 HB3 SER A 7 13.549 4.816 2.446 1.00 1.00 H new ATOM 0 HG SER A 7 12.047 6.545 2.071 1.00 1.00 H new ATOM 116 N TYR A 8 13.652 3.491 -0.015 1.00 1.00 N ATOM 117 CA TYR A 8 14.745 3.065 -0.873 1.00 1.00 C ATOM 118 C TYR A 8 16.075 3.475 -0.239 1.00 1.00 C ATOM 119 O TYR A 8 16.787 2.585 0.249 1.00 1.00 O ATOM 120 CB TYR A 8 14.574 3.660 -2.283 1.00 1.00 C ATOM 121 CG TYR A 8 14.206 2.645 -3.356 1.00 1.00 C ATOM 122 CD1 TYR A 8 12.851 2.345 -3.624 1.00 1.00 C ATOM 123 CD2 TYR A 8 15.224 1.991 -4.089 1.00 1.00 C ATOM 124 CE1 TYR A 8 12.515 1.401 -4.617 1.00 1.00 C ATOM 125 CE2 TYR A 8 14.888 1.047 -5.083 1.00 1.00 C ATOM 126 CZ TYR A 8 13.534 0.752 -5.348 1.00 1.00 C ATOM 127 OH TYR A 8 13.214 -0.162 -6.312 1.00 1.00 O ATOM 0 H TYR A 8 13.186 4.354 -0.293 1.00 1.00 H new ATOM 0 HA TYR A 8 14.737 1.980 -0.975 1.00 1.00 H new ATOM 0 HB2 TYR A 8 13.802 4.429 -2.248 1.00 1.00 H new ATOM 0 HB3 TYR A 8 15.502 4.153 -2.571 1.00 1.00 H new ATOM 0 HD1 TYR A 8 12.070 2.840 -3.066 1.00 1.00 H new ATOM 0 HD2 TYR A 8 16.261 2.215 -3.887 1.00 1.00 H new ATOM 0 HE1 TYR A 8 11.478 1.175 -4.818 1.00 1.00 H new ATOM 0 HE2 TYR A 8 15.668 0.550 -5.641 1.00 1.00 H new ATOM 0 HH TYR A 8 13.429 -1.063 -5.992 1.00 1.00 H new ATOM 137 N ILE A 9 16.385 4.784 -0.264 1.00 1.00 N ATOM 138 CA ILE A 9 17.625 5.292 0.298 1.00 1.00 C ATOM 139 C ILE A 9 17.744 4.838 1.754 1.00 1.00 C ATOM 140 O ILE A 9 18.875 4.621 2.213 1.00 1.00 O ATOM 141 CB ILE A 9 17.712 6.809 0.119 1.00 1.00 C ATOM 142 CG1 ILE A 9 17.214 7.227 -1.267 1.00 1.00 C ATOM 143 CG2 ILE A 9 19.130 7.313 0.394 1.00 1.00 C ATOM 144 CD1 ILE A 9 15.899 8.002 -1.166 1.00 1.00 C ATOM 0 H ILE A 9 15.785 5.501 -0.671 1.00 1.00 H new ATOM 0 HA ILE A 9 18.482 4.881 -0.236 1.00 1.00 H new ATOM 0 HB ILE A 9 17.056 7.278 0.852 1.00 1.00 H new ATOM 0 HG12 ILE A 9 17.967 7.844 -1.757 1.00 1.00 H new ATOM 0 HG13 ILE A 9 17.072 6.343 -1.888 1.00 1.00 H new ATOM 0 HG21 ILE A 9 19.164 8.394 0.260 1.00 1.00 H new ATOM 0 HG22 ILE A 9 19.412 7.065 1.417 1.00 1.00 H new ATOM 0 HG23 ILE A 9 19.825 6.839 -0.299 1.00 1.00 H new ATOM 0 HD11 ILE A 9 15.567 8.287 -2.164 1.00 1.00 H new ATOM 0 HD12 ILE A 9 15.141 7.374 -0.697 1.00 1.00 H new ATOM 0 HD13 ILE A 9 16.050 8.898 -0.564 1.00 1.00 H new ATOM 156 N ALA A 10 16.595 4.704 2.440 1.00 1.00 N ATOM 157 CA ALA A 10 16.572 4.279 3.829 1.00 1.00 C ATOM 158 C ALA A 10 17.268 2.923 3.955 1.00 1.00 C ATOM 159 O ALA A 10 17.998 2.724 4.937 1.00 1.00 O ATOM 160 CB ALA A 10 15.125 4.062 4.277 1.00 1.00 C ATOM 0 H ALA A 10 15.673 4.887 2.043 1.00 1.00 H new ATOM 0 HA ALA A 10 17.064 5.042 4.432 1.00 1.00 H new ATOM 0 HB1 ALA A 10 15.111 3.743 5.319 1.00 1.00 H new ATOM 0 HB2 ALA A 10 14.569 4.994 4.175 1.00 1.00 H new ATOM 0 HB3 ALA A 10 14.663 3.294 3.656 1.00 1.00 H new ATOM 166 N LEU A 11 17.033 2.032 2.975 1.00 1.00 N ATOM 167 CA LEU A 11 17.634 0.709 2.976 1.00 1.00 C ATOM 168 C LEU A 11 19.060 0.801 2.431 1.00 1.00 C ATOM 169 O LEU A 11 19.936 0.090 2.947 1.00 1.00 O ATOM 170 CB LEU A 11 16.748 -0.282 2.218 1.00 1.00 C ATOM 171 CG LEU A 11 17.035 -0.429 0.722 1.00 1.00 C ATOM 172 CD1 LEU A 11 18.003 -1.584 0.461 1.00 1.00 C ATOM 173 CD2 LEU A 11 15.736 -0.580 -0.072 1.00 1.00 C ATOM 0 H LEU A 11 16.428 2.216 2.175 1.00 1.00 H new ATOM 0 HA LEU A 11 17.706 0.324 3.993 1.00 1.00 H new ATOM 0 HB2 LEU A 11 16.850 -1.261 2.685 1.00 1.00 H new ATOM 0 HB3 LEU A 11 15.709 0.023 2.340 1.00 1.00 H new ATOM 0 HG LEU A 11 17.521 0.483 0.375 1.00 1.00 H new ATOM 0 HD11 LEU A 11 18.190 -1.667 -0.610 1.00 1.00 H new ATOM 0 HD12 LEU A 11 18.943 -1.396 0.980 1.00 1.00 H new ATOM 0 HD13 LEU A 11 17.567 -2.514 0.826 1.00 1.00 H new ATOM 0 HD21 LEU A 11 15.967 -0.683 -1.132 1.00 1.00 H new ATOM 0 HD22 LEU A 11 15.201 -1.466 0.270 1.00 1.00 H new ATOM 0 HD23 LEU A 11 15.112 0.301 0.079 1.00 1.00 H new ATOM 185 N ILE A 12 19.263 1.660 1.416 1.00 1.00 N ATOM 186 CA ILE A 12 20.571 1.840 0.810 1.00 1.00 C ATOM 187 C ILE A 12 21.622 2.001 1.911 1.00 1.00 C ATOM 188 O ILE A 12 22.736 1.483 1.743 1.00 1.00 O ATOM 189 CB ILE A 12 20.544 3.000 -0.188 1.00 1.00 C ATOM 190 CG1 ILE A 12 20.123 2.519 -1.577 1.00 1.00 C ATOM 191 CG2 ILE A 12 21.889 3.730 -0.217 1.00 1.00 C ATOM 192 CD1 ILE A 12 18.607 2.329 -1.656 1.00 1.00 C ATOM 0 H ILE A 12 18.528 2.236 1.006 1.00 1.00 H new ATOM 0 HA ILE A 12 20.847 0.958 0.232 1.00 1.00 H new ATOM 0 HB ILE A 12 19.795 3.719 0.144 1.00 1.00 H new ATOM 0 HG12 ILE A 12 20.442 3.242 -2.328 1.00 1.00 H new ATOM 0 HG13 ILE A 12 20.623 1.578 -1.807 1.00 1.00 H new ATOM 0 HG21 ILE A 12 21.843 4.550 -0.934 1.00 1.00 H new ATOM 0 HG22 ILE A 12 22.109 4.127 0.774 1.00 1.00 H new ATOM 0 HG23 ILE A 12 22.674 3.034 -0.512 1.00 1.00 H new ATOM 0 HD11 ILE A 12 18.335 1.987 -2.654 1.00 1.00 H new ATOM 0 HD12 ILE A 12 18.294 1.588 -0.920 1.00 1.00 H new ATOM 0 HD13 ILE A 12 18.110 3.277 -1.450 1.00 1.00 H new ATOM 204 N THR A 13 21.253 2.702 2.997 1.00 1.00 N ATOM 205 CA THR A 13 22.156 2.926 4.113 1.00 1.00 C ATOM 206 C THR A 13 22.887 1.623 4.441 1.00 1.00 C ATOM 207 O THR A 13 24.103 1.672 4.680 1.00 1.00 O ATOM 208 CB THR A 13 21.353 3.485 5.289 1.00 1.00 C ATOM 209 OG1 THR A 13 20.293 2.548 5.461 1.00 1.00 O ATOM 210 CG2 THR A 13 20.640 4.794 4.941 1.00 1.00 C ATOM 0 H THR A 13 20.330 3.120 3.115 1.00 1.00 H new ATOM 0 HA THR A 13 22.923 3.661 3.866 1.00 1.00 H new ATOM 0 HB THR A 13 22.017 3.648 6.138 1.00 1.00 H new ATOM 0 HG1 THR A 13 19.432 3.004 5.352 1.00 1.00 H new ATOM 0 HG21 THR A 13 20.085 5.148 5.810 1.00 1.00 H new ATOM 0 HG22 THR A 13 21.376 5.543 4.651 1.00 1.00 H new ATOM 0 HG23 THR A 13 19.950 4.624 4.114 1.00 1.00 H new ATOM 218 N MET A 14 22.145 0.501 4.447 1.00 1.00 N ATOM 219 CA MET A 14 22.718 -0.800 4.744 1.00 1.00 C ATOM 220 C MET A 14 23.389 -1.356 3.486 1.00 1.00 C ATOM 221 O MET A 14 24.463 -1.963 3.609 1.00 1.00 O ATOM 222 CB MET A 14 21.629 -1.768 5.212 1.00 1.00 C ATOM 223 CG MET A 14 21.089 -1.363 6.585 1.00 1.00 C ATOM 224 SD MET A 14 20.512 -2.832 7.484 1.00 1.00 S ATOM 225 CE MET A 14 19.747 -3.757 6.120 1.00 1.00 C ATOM 0 H MET A 14 21.145 0.482 4.247 1.00 1.00 H new ATOM 0 HA MET A 14 23.455 -0.690 5.539 1.00 1.00 H new ATOM 0 HB2 MET A 14 20.815 -1.783 4.487 1.00 1.00 H new ATOM 0 HB3 MET A 14 22.032 -2.779 5.260 1.00 1.00 H new ATOM 0 HG2 MET A 14 21.868 -0.859 7.157 1.00 1.00 H new ATOM 0 HG3 MET A 14 20.270 -0.653 6.468 1.00 1.00 H new ATOM 0 HE1 MET A 14 18.996 -4.439 6.519 1.00 1.00 H new ATOM 0 HE2 MET A 14 19.273 -3.060 5.428 1.00 1.00 H new ATOM 0 HE3 MET A 14 20.512 -4.327 5.593 1.00 1.00 H new ATOM 235 N ALA A 15 22.753 -1.142 2.320 1.00 1.00 N ATOM 236 CA ALA A 15 23.285 -1.618 1.054 1.00 1.00 C ATOM 237 C ALA A 15 24.772 -1.266 0.966 1.00 1.00 C ATOM 238 O ALA A 15 25.524 -2.034 0.348 1.00 1.00 O ATOM 239 CB ALA A 15 22.601 -0.883 -0.100 1.00 1.00 C ATOM 0 H ALA A 15 21.869 -0.640 2.240 1.00 1.00 H new ATOM 0 HA ALA A 15 23.121 -2.694 0.993 1.00 1.00 H new ATOM 0 HB1 ALA A 15 23.002 -1.242 -1.048 1.00 1.00 H new ATOM 0 HB2 ALA A 15 21.528 -1.070 -0.065 1.00 1.00 H new ATOM 0 HB3 ALA A 15 22.786 0.187 -0.010 1.00 1.00 H new ATOM 245 N ILE A 16 25.159 -0.131 1.575 1.00 1.00 N ATOM 246 CA ILE A 16 26.542 0.315 1.565 1.00 1.00 C ATOM 247 C ILE A 16 27.344 -0.500 2.582 1.00 1.00 C ATOM 248 O ILE A 16 28.464 -0.917 2.253 1.00 1.00 O ATOM 249 CB ILE A 16 26.619 1.826 1.790 1.00 1.00 C ATOM 250 CG1 ILE A 16 27.625 2.472 0.835 1.00 1.00 C ATOM 251 CG2 ILE A 16 26.931 2.148 3.253 1.00 1.00 C ATOM 252 CD1 ILE A 16 27.061 2.549 -0.585 1.00 1.00 C ATOM 0 H ILE A 16 24.523 0.488 2.078 1.00 1.00 H new ATOM 0 HA ILE A 16 26.992 0.138 0.588 1.00 1.00 H new ATOM 0 HB ILE A 16 25.642 2.254 1.567 1.00 1.00 H new ATOM 0 HG12 ILE A 16 27.874 3.473 1.186 1.00 1.00 H new ATOM 0 HG13 ILE A 16 28.550 1.896 0.832 1.00 1.00 H new ATOM 0 HG21 ILE A 16 26.980 3.229 3.385 1.00 1.00 H new ATOM 0 HG22 ILE A 16 26.147 1.740 3.891 1.00 1.00 H new ATOM 0 HG23 ILE A 16 27.889 1.705 3.527 1.00 1.00 H new ATOM 0 HD11 ILE A 16 27.796 3.012 -1.244 1.00 1.00 H new ATOM 0 HD12 ILE A 16 26.836 1.544 -0.942 1.00 1.00 H new ATOM 0 HD13 ILE A 16 26.149 3.146 -0.582 1.00 1.00 H new ATOM 264 N LEU A 17 26.764 -0.708 3.778 1.00 1.00 N ATOM 265 CA LEU A 17 27.420 -1.465 4.831 1.00 1.00 C ATOM 266 C LEU A 17 27.927 -2.791 4.259 1.00 1.00 C ATOM 267 O LEU A 17 28.969 -3.274 4.724 1.00 1.00 O ATOM 268 CB LEU A 17 26.488 -1.630 6.033 1.00 1.00 C ATOM 269 CG LEU A 17 26.665 -0.614 7.163 1.00 1.00 C ATOM 270 CD1 LEU A 17 28.064 -0.711 7.774 1.00 1.00 C ATOM 271 CD2 LEU A 17 26.347 0.803 6.681 1.00 1.00 C ATOM 0 H LEU A 17 25.840 -0.357 4.028 1.00 1.00 H new ATOM 0 HA LEU A 17 28.290 -0.924 5.204 1.00 1.00 H new ATOM 0 HB2 LEU A 17 25.458 -1.575 5.680 1.00 1.00 H new ATOM 0 HB3 LEU A 17 26.631 -2.629 6.444 1.00 1.00 H new ATOM 0 HG LEU A 17 25.952 -0.853 7.952 1.00 1.00 H new ATOM 0 HD11 LEU A 17 28.163 0.022 8.575 1.00 1.00 H new ATOM 0 HD12 LEU A 17 28.216 -1.712 8.178 1.00 1.00 H new ATOM 0 HD13 LEU A 17 28.811 -0.512 7.006 1.00 1.00 H new ATOM 0 HD21 LEU A 17 26.481 1.506 7.503 1.00 1.00 H new ATOM 0 HD22 LEU A 17 27.018 1.069 5.864 1.00 1.00 H new ATOM 0 HD23 LEU A 17 25.315 0.846 6.332 1.00 1.00 H new ATOM 283 N GLN A 18 27.191 -3.344 3.278 1.00 1.00 N ATOM 284 CA GLN A 18 27.563 -4.601 2.651 1.00 1.00 C ATOM 285 C GLN A 18 29.024 -4.528 2.201 1.00 1.00 C ATOM 286 O GLN A 18 29.646 -5.589 2.045 1.00 1.00 O ATOM 287 CB GLN A 18 26.643 -4.937 1.475 1.00 1.00 C ATOM 288 CG GLN A 18 25.436 -5.753 1.940 1.00 1.00 C ATOM 289 CD GLN A 18 24.892 -5.221 3.268 1.00 1.00 C ATOM 290 OE1 GLN A 18 24.066 -4.324 3.315 1.00 1.00 O ATOM 291 NE2 GLN A 18 25.401 -5.821 4.340 1.00 1.00 N ATOM 0 H GLN A 18 26.335 -2.930 2.910 1.00 1.00 H new ATOM 0 HA GLN A 18 27.450 -5.403 3.381 1.00 1.00 H new ATOM 0 HB2 GLN A 18 26.303 -4.017 1.000 1.00 1.00 H new ATOM 0 HB3 GLN A 18 27.198 -5.498 0.723 1.00 1.00 H new ATOM 0 HG2 GLN A 18 24.654 -5.716 1.182 1.00 1.00 H new ATOM 0 HG3 GLN A 18 25.721 -6.799 2.053 1.00 1.00 H new ATOM 0 HE21 GLN A 18 26.089 -6.565 4.229 1.00 1.00 H new ATOM 0 HE22 GLN A 18 25.103 -5.537 5.273 1.00 1.00 H new ATOM 300 N SER A 19 29.533 -3.299 2.004 1.00 1.00 N ATOM 301 CA SER A 19 30.907 -3.094 1.576 1.00 1.00 C ATOM 302 C SER A 19 31.685 -2.393 2.692 1.00 1.00 C ATOM 303 O SER A 19 31.784 -1.158 2.656 1.00 1.00 O ATOM 304 CB SER A 19 30.975 -2.274 0.286 1.00 1.00 C ATOM 305 OG SER A 19 30.358 -0.998 0.431 1.00 1.00 O ATOM 0 H SER A 19 29.003 -2.438 2.138 1.00 1.00 H new ATOM 0 HA SER A 19 31.354 -4.066 1.370 1.00 1.00 H new ATOM 0 HB2 SER A 19 32.017 -2.142 -0.005 1.00 1.00 H new ATOM 0 HB3 SER A 19 30.487 -2.823 -0.519 1.00 1.00 H new ATOM 0 HG SER A 19 29.981 -0.917 1.332 1.00 1.00 H new ATOM 311 N PRO A 20 32.212 -3.182 3.645 1.00 1.00 N ATOM 312 CA PRO A 20 32.978 -2.676 4.772 1.00 1.00 C ATOM 313 C PRO A 20 34.383 -2.255 4.335 1.00 1.00 C ATOM 314 O PRO A 20 35.228 -2.024 5.211 1.00 1.00 O ATOM 315 CB PRO A 20 32.986 -3.810 5.783 1.00 1.00 C ATOM 316 CG PRO A 20 32.627 -5.066 5.004 1.00 1.00 C ATOM 317 CD PRO A 20 32.075 -4.635 3.655 1.00 1.00 C ATOM 0 HA PRO A 20 32.543 -1.776 5.206 1.00 1.00 H new ATOM 0 HB2 PRO A 20 33.965 -3.908 6.252 1.00 1.00 H new ATOM 0 HB3 PRO A 20 32.267 -3.627 6.581 1.00 1.00 H new ATOM 0 HG2 PRO A 20 33.505 -5.698 4.873 1.00 1.00 H new ATOM 0 HG3 PRO A 20 31.889 -5.655 5.548 1.00 1.00 H new ATOM 0 HD2 PRO A 20 32.631 -5.091 2.836 1.00 1.00 H new ATOM 0 HD3 PRO A 20 31.034 -4.935 3.539 1.00 1.00 H new ATOM 325 N GLN A 21 34.599 -2.164 3.010 1.00 1.00 N ATOM 326 CA GLN A 21 35.889 -1.774 2.466 1.00 1.00 C ATOM 327 C GLN A 21 35.683 -0.703 1.393 1.00 1.00 C ATOM 328 O GLN A 21 35.802 0.488 1.718 1.00 1.00 O ATOM 329 CB GLN A 21 36.648 -2.977 1.902 1.00 1.00 C ATOM 330 CG GLN A 21 37.884 -3.292 2.747 1.00 1.00 C ATOM 331 CD GLN A 21 39.167 -2.914 2.004 1.00 1.00 C ATOM 332 OE1 GLN A 21 39.208 -2.827 0.788 1.00 1.00 O ATOM 333 NE2 GLN A 21 40.208 -2.694 2.801 1.00 1.00 N ATOM 0 H GLN A 21 33.888 -2.358 2.305 1.00 1.00 H new ATOM 0 HA GLN A 21 36.498 -1.364 3.271 1.00 1.00 H new ATOM 0 HB2 GLN A 21 35.991 -3.846 1.875 1.00 1.00 H new ATOM 0 HB3 GLN A 21 36.948 -2.773 0.874 1.00 1.00 H new ATOM 0 HG2 GLN A 21 37.832 -2.748 3.690 1.00 1.00 H new ATOM 0 HG3 GLN A 21 37.901 -4.354 2.992 1.00 1.00 H new ATOM 0 HE21 GLN A 21 40.105 -2.784 3.812 1.00 1.00 H new ATOM 0 HE22 GLN A 21 41.110 -2.435 2.402 1.00 1.00 H new ATOM 342 N LYS A 22 35.382 -1.139 0.157 1.00 1.00 N ATOM 343 CA LYS A 22 35.162 -0.224 -0.950 1.00 1.00 C ATOM 344 C LYS A 22 34.828 -1.026 -2.210 1.00 1.00 C ATOM 345 O LYS A 22 35.321 -0.663 -3.287 1.00 1.00 O ATOM 346 CB LYS A 22 36.360 0.713 -1.117 1.00 1.00 C ATOM 347 CG LYS A 22 37.618 -0.069 -1.500 1.00 1.00 C ATOM 348 CD LYS A 22 38.855 0.830 -1.460 1.00 1.00 C ATOM 349 CE LYS A 22 39.458 0.996 -2.856 1.00 1.00 C ATOM 350 NZ LYS A 22 40.423 -0.080 -3.132 1.00 1.00 N ATOM 0 H LYS A 22 35.288 -2.124 -0.089 1.00 1.00 H new ATOM 0 HA LYS A 22 34.308 0.422 -0.747 1.00 1.00 H new ATOM 0 HB2 LYS A 22 36.141 1.456 -1.884 1.00 1.00 H new ATOM 0 HB3 LYS A 22 36.534 1.256 -0.188 1.00 1.00 H new ATOM 0 HG2 LYS A 22 37.751 -0.908 -0.817 1.00 1.00 H new ATOM 0 HG3 LYS A 22 37.500 -0.488 -2.500 1.00 1.00 H new ATOM 0 HD2 LYS A 22 38.586 1.807 -1.058 1.00 1.00 H new ATOM 0 HD3 LYS A 22 39.598 0.402 -0.788 1.00 1.00 H new ATOM 0 HE2 LYS A 22 38.666 0.983 -3.605 1.00 1.00 H new ATOM 0 HE3 LYS A 22 39.953 1.964 -2.932 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 40.823 0.048 -4.084 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 41.188 -0.049 -2.428 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 39.941 -1.000 -3.080 1.00 1.00 H new ATOM 364 N LYS A 23 34.010 -2.082 -2.052 1.00 1.00 N ATOM 365 CA LYS A 23 33.616 -2.924 -3.169 1.00 1.00 C ATOM 366 C LYS A 23 32.133 -3.277 -3.038 1.00 1.00 C ATOM 367 O LYS A 23 31.811 -4.190 -2.264 1.00 1.00 O ATOM 368 CB LYS A 23 34.533 -4.145 -3.268 1.00 1.00 C ATOM 369 CG LYS A 23 35.343 -4.119 -4.565 1.00 1.00 C ATOM 370 CD LYS A 23 36.825 -4.386 -4.292 1.00 1.00 C ATOM 371 CE LYS A 23 37.210 -5.809 -4.703 1.00 1.00 C ATOM 372 NZ LYS A 23 37.905 -5.801 -6.000 1.00 1.00 N ATOM 0 H LYS A 23 33.614 -2.364 -1.155 1.00 1.00 H new ATOM 0 HA LYS A 23 33.734 -2.388 -4.111 1.00 1.00 H new ATOM 0 HB2 LYS A 23 35.209 -4.167 -2.413 1.00 1.00 H new ATOM 0 HB3 LYS A 23 33.937 -5.056 -3.226 1.00 1.00 H new ATOM 0 HG2 LYS A 23 34.956 -4.869 -5.255 1.00 1.00 H new ATOM 0 HG3 LYS A 23 35.228 -3.150 -5.050 1.00 1.00 H new ATOM 0 HD2 LYS A 23 37.435 -3.668 -4.840 1.00 1.00 H new ATOM 0 HD3 LYS A 23 37.035 -4.240 -3.233 1.00 1.00 H new ATOM 0 HE2 LYS A 23 37.853 -6.252 -3.942 1.00 1.00 H new ATOM 0 HE3 LYS A 23 36.316 -6.430 -4.767 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 38.159 -6.774 -6.264 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 37.280 -5.397 -6.726 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 38.768 -5.225 -5.928 1.00 1.00 H new ATOM 386 N LEU A 24 31.275 -2.559 -3.784 1.00 1.00 N ATOM 387 CA LEU A 24 29.842 -2.795 -3.752 1.00 1.00 C ATOM 388 C LEU A 24 29.421 -3.526 -5.028 1.00 1.00 C ATOM 389 O LEU A 24 29.335 -2.875 -6.080 1.00 1.00 O ATOM 390 CB LEU A 24 29.088 -1.484 -3.516 1.00 1.00 C ATOM 391 CG LEU A 24 29.091 -0.958 -2.079 1.00 1.00 C ATOM 392 CD1 LEU A 24 28.752 0.534 -2.042 1.00 1.00 C ATOM 393 CD2 LEU A 24 28.155 -1.781 -1.192 1.00 1.00 C ATOM 0 H LEU A 24 31.562 -1.811 -4.415 1.00 1.00 H new ATOM 0 HA LEU A 24 29.581 -3.441 -2.914 1.00 1.00 H new ATOM 0 HB2 LEU A 24 29.518 -0.719 -4.163 1.00 1.00 H new ATOM 0 HB3 LEU A 24 28.053 -1.622 -3.829 1.00 1.00 H new ATOM 0 HG LEU A 24 30.097 -1.070 -1.675 1.00 1.00 H new ATOM 0 HD11 LEU A 24 28.761 0.884 -1.010 1.00 1.00 H new ATOM 0 HD12 LEU A 24 29.491 1.089 -2.619 1.00 1.00 H new ATOM 0 HD13 LEU A 24 27.763 0.693 -2.471 1.00 1.00 H new ATOM 0 HD21 LEU A 24 28.176 -1.386 -0.176 1.00 1.00 H new ATOM 0 HD22 LEU A 24 27.139 -1.723 -1.583 1.00 1.00 H new ATOM 0 HD23 LEU A 24 28.482 -2.821 -1.184 1.00 1.00 H new ATOM 405 N THR A 25 29.170 -4.842 -4.913 1.00 1.00 N ATOM 406 CA THR A 25 28.762 -5.650 -6.050 1.00 1.00 C ATOM 407 C THR A 25 27.236 -5.633 -6.160 1.00 1.00 C ATOM 408 O THR A 25 26.580 -6.337 -5.379 1.00 1.00 O ATOM 409 CB THR A 25 29.343 -7.056 -5.884 1.00 1.00 C ATOM 410 OG1 THR A 25 30.713 -6.829 -5.565 1.00 1.00 O ATOM 411 CG2 THR A 25 29.390 -7.829 -7.203 1.00 1.00 C ATOM 0 H THR A 25 29.246 -5.359 -4.037 1.00 1.00 H new ATOM 0 HA THR A 25 29.147 -5.248 -6.987 1.00 1.00 H new ATOM 0 HB THR A 25 28.748 -7.612 -5.159 1.00 1.00 H new ATOM 0 HG1 THR A 25 31.211 -6.630 -6.385 1.00 1.00 H new ATOM 0 HG21 THR A 25 29.810 -8.820 -7.029 1.00 1.00 H new ATOM 0 HG22 THR A 25 28.381 -7.928 -7.603 1.00 1.00 H new ATOM 0 HG23 THR A 25 30.012 -7.291 -7.918 1.00 1.00 H new ATOM 419 N LEU A 26 26.710 -4.842 -7.113 1.00 1.00 N ATOM 420 CA LEU A 26 25.276 -4.736 -7.321 1.00 1.00 C ATOM 421 C LEU A 26 24.643 -6.124 -7.200 1.00 1.00 C ATOM 422 O LEU A 26 23.536 -6.222 -6.650 1.00 1.00 O ATOM 423 CB LEU A 26 24.977 -4.038 -8.650 1.00 1.00 C ATOM 424 CG LEU A 26 23.583 -3.422 -8.785 1.00 1.00 C ATOM 425 CD1 LEU A 26 23.176 -3.306 -10.255 1.00 1.00 C ATOM 426 CD2 LEU A 26 22.556 -4.204 -7.965 1.00 1.00 C ATOM 0 H LEU A 26 27.268 -4.270 -7.747 1.00 1.00 H new ATOM 0 HA LEU A 26 24.825 -4.111 -6.550 1.00 1.00 H new ATOM 0 HB2 LEU A 26 25.716 -3.251 -8.799 1.00 1.00 H new ATOM 0 HB3 LEU A 26 25.113 -4.760 -9.455 1.00 1.00 H new ATOM 0 HG LEU A 26 23.615 -2.411 -8.379 1.00 1.00 H new ATOM 0 HD11 LEU A 26 22.181 -2.865 -10.323 1.00 1.00 H new ATOM 0 HD12 LEU A 26 23.890 -2.673 -10.781 1.00 1.00 H new ATOM 0 HD13 LEU A 26 23.166 -4.297 -10.709 1.00 1.00 H new ATOM 0 HD21 LEU A 26 21.574 -3.745 -8.079 1.00 1.00 H new ATOM 0 HD22 LEU A 26 22.518 -5.235 -8.317 1.00 1.00 H new ATOM 0 HD23 LEU A 26 22.843 -4.190 -6.914 1.00 1.00 H new ATOM 438 N SER A 27 25.347 -7.153 -7.706 1.00 1.00 N ATOM 439 CA SER A 27 24.858 -8.520 -7.654 1.00 1.00 C ATOM 440 C SER A 27 24.576 -8.901 -6.200 1.00 1.00 C ATOM 441 O SER A 27 23.520 -9.496 -5.940 1.00 1.00 O ATOM 442 CB SER A 27 25.858 -9.497 -8.275 1.00 1.00 C ATOM 443 OG SER A 27 26.058 -9.245 -9.663 1.00 1.00 O ATOM 0 H SER A 27 26.257 -7.051 -8.154 1.00 1.00 H new ATOM 0 HA SER A 27 23.938 -8.581 -8.235 1.00 1.00 H new ATOM 0 HB2 SER A 27 26.811 -9.422 -7.752 1.00 1.00 H new ATOM 0 HB3 SER A 27 25.500 -10.518 -8.140 1.00 1.00 H new ATOM 0 HG SER A 27 26.704 -9.888 -10.022 1.00 1.00 H new ATOM 449 N GLY A 28 25.511 -8.558 -5.295 1.00 1.00 N ATOM 450 CA GLY A 28 25.364 -8.863 -3.882 1.00 1.00 C ATOM 451 C GLY A 28 24.440 -7.829 -3.236 1.00 1.00 C ATOM 452 O GLY A 28 23.785 -8.165 -2.238 1.00 1.00 O ATOM 0 H GLY A 28 26.374 -8.068 -5.530 1.00 1.00 H new ATOM 0 HA2 GLY A 28 24.953 -9.865 -3.755 1.00 1.00 H new ATOM 0 HA3 GLY A 28 26.338 -8.854 -3.393 1.00 1.00 H new ATOM 456 N ILE A 29 24.406 -6.611 -3.806 1.00 1.00 N ATOM 457 CA ILE A 29 23.570 -5.541 -3.288 1.00 1.00 C ATOM 458 C ILE A 29 22.110 -5.997 -3.285 1.00 1.00 C ATOM 459 O ILE A 29 21.475 -5.934 -2.222 1.00 1.00 O ATOM 460 CB ILE A 29 23.809 -4.248 -4.071 1.00 1.00 C ATOM 461 CG1 ILE A 29 25.269 -3.803 -3.962 1.00 1.00 C ATOM 462 CG2 ILE A 29 22.840 -3.151 -3.626 1.00 1.00 C ATOM 463 CD1 ILE A 29 25.749 -3.849 -2.510 1.00 1.00 C ATOM 0 H ILE A 29 24.954 -6.354 -4.627 1.00 1.00 H new ATOM 0 HA ILE A 29 23.836 -5.315 -2.255 1.00 1.00 H new ATOM 0 HB ILE A 29 23.611 -4.445 -5.125 1.00 1.00 H new ATOM 0 HG12 ILE A 29 25.896 -4.448 -4.577 1.00 1.00 H new ATOM 0 HG13 ILE A 29 25.374 -2.791 -4.352 1.00 1.00 H new ATOM 0 HG21 ILE A 29 23.031 -2.243 -4.198 1.00 1.00 H new ATOM 0 HG22 ILE A 29 21.815 -3.479 -3.798 1.00 1.00 H new ATOM 0 HG23 ILE A 29 22.983 -2.948 -2.565 1.00 1.00 H new ATOM 0 HD11 ILE A 29 26.790 -3.528 -2.460 1.00 1.00 H new ATOM 0 HD12 ILE A 29 25.135 -3.184 -1.903 1.00 1.00 H new ATOM 0 HD13 ILE A 29 25.665 -4.868 -2.131 1.00 1.00 H new ATOM 475 N CYS A 30 21.614 -6.439 -4.454 1.00 1.00 N ATOM 476 CA CYS A 30 20.243 -6.900 -4.584 1.00 1.00 C ATOM 477 C CYS A 30 20.083 -8.228 -3.840 1.00 1.00 C ATOM 478 O CYS A 30 19.048 -8.415 -3.184 1.00 1.00 O ATOM 479 CB CYS A 30 19.837 -7.017 -6.055 1.00 1.00 C ATOM 480 SG CYS A 30 18.047 -6.937 -6.360 1.00 1.00 S ATOM 0 H CYS A 30 22.154 -6.482 -5.318 1.00 1.00 H new ATOM 0 HA CYS A 30 19.572 -6.168 -4.134 1.00 1.00 H new ATOM 0 HB2 CYS A 30 20.323 -6.219 -6.616 1.00 1.00 H new ATOM 0 HB3 CYS A 30 20.217 -7.960 -6.448 1.00 1.00 H new ATOM 0 HG CYS A 30 17.411 -7.446 -5.347 1.00 1.00 H new ATOM 486 N GLU A 31 21.093 -9.108 -3.955 1.00 1.00 N ATOM 487 CA GLU A 31 21.064 -10.403 -3.298 1.00 1.00 C ATOM 488 C GLU A 31 20.847 -10.204 -1.796 1.00 1.00 C ATOM 489 O GLU A 31 20.119 -11.007 -1.194 1.00 1.00 O ATOM 490 CB GLU A 31 22.343 -11.199 -3.566 1.00 1.00 C ATOM 491 CG GLU A 31 22.182 -12.658 -3.137 1.00 1.00 C ATOM 492 CD GLU A 31 21.601 -13.503 -4.273 1.00 1.00 C ATOM 493 OE1 GLU A 31 22.472 -13.986 -5.093 1.00 1.00 O ATOM 494 OE2 GLU A 31 20.376 -13.677 -4.352 1.00 1.00 O ATOM 0 H GLU A 31 21.937 -8.934 -4.501 1.00 1.00 H new ATOM 0 HA GLU A 31 20.237 -10.983 -3.708 1.00 1.00 H new ATOM 0 HB2 GLU A 31 22.588 -11.153 -4.627 1.00 1.00 H new ATOM 0 HB3 GLU A 31 23.176 -10.748 -3.027 1.00 1.00 H new ATOM 0 HG2 GLU A 31 23.149 -13.061 -2.837 1.00 1.00 H new ATOM 0 HG3 GLU A 31 21.529 -12.715 -2.266 1.00 1.00 H new ATOM 501 N PHE A 32 21.473 -9.156 -1.231 1.00 1.00 N ATOM 502 CA PHE A 32 21.349 -8.858 0.185 1.00 1.00 C ATOM 503 C PHE A 32 19.956 -8.287 0.461 1.00 1.00 C ATOM 504 O PHE A 32 19.349 -8.676 1.470 1.00 1.00 O ATOM 505 CB PHE A 32 22.443 -7.851 0.590 1.00 1.00 C ATOM 506 CG PHE A 32 21.942 -6.655 1.390 1.00 1.00 C ATOM 507 CD1 PHE A 32 21.567 -6.809 2.745 1.00 1.00 C ATOM 508 CD2 PHE A 32 21.842 -5.385 0.777 1.00 1.00 C ATOM 509 CE1 PHE A 32 21.099 -5.700 3.481 1.00 1.00 C ATOM 510 CE2 PHE A 32 21.374 -4.277 1.515 1.00 1.00 C ATOM 511 CZ PHE A 32 21.003 -4.434 2.867 1.00 1.00 C ATOM 0 H PHE A 32 22.069 -8.507 -1.745 1.00 1.00 H new ATOM 0 HA PHE A 32 21.476 -9.767 0.773 1.00 1.00 H new ATOM 0 HB2 PHE A 32 23.199 -8.373 1.177 1.00 1.00 H new ATOM 0 HB3 PHE A 32 22.935 -7.487 -0.312 1.00 1.00 H new ATOM 0 HD1 PHE A 32 21.639 -7.778 3.217 1.00 1.00 H new ATOM 0 HD2 PHE A 32 22.124 -5.263 -0.258 1.00 1.00 H new ATOM 0 HE1 PHE A 32 20.814 -5.821 4.516 1.00 1.00 H new ATOM 0 HE2 PHE A 32 21.300 -3.308 1.044 1.00 1.00 H new ATOM 0 HZ PHE A 32 20.646 -3.585 3.431 1.00 1.00 H new ATOM 521 N ILE A 33 19.486 -7.391 -0.424 1.00 1.00 N ATOM 522 CA ILE A 33 18.179 -6.774 -0.276 1.00 1.00 C ATOM 523 C ILE A 33 17.094 -7.836 -0.471 1.00 1.00 C ATOM 524 O ILE A 33 16.239 -7.974 0.416 1.00 1.00 O ATOM 525 CB ILE A 33 18.042 -5.576 -1.218 1.00 1.00 C ATOM 526 CG1 ILE A 33 19.080 -4.501 -0.892 1.00 1.00 C ATOM 527 CG2 ILE A 33 16.616 -5.022 -1.196 1.00 1.00 C ATOM 528 CD1 ILE A 33 19.166 -3.463 -2.013 1.00 1.00 C ATOM 0 H ILE A 33 20.002 -7.084 -1.248 1.00 1.00 H new ATOM 0 HA ILE A 33 18.058 -6.374 0.731 1.00 1.00 H new ATOM 0 HB ILE A 33 18.240 -5.916 -2.235 1.00 1.00 H new ATOM 0 HG12 ILE A 33 18.817 -4.009 0.044 1.00 1.00 H new ATOM 0 HG13 ILE A 33 20.055 -4.965 -0.746 1.00 1.00 H new ATOM 0 HG21 ILE A 33 16.546 -4.171 -1.874 1.00 1.00 H new ATOM 0 HG22 ILE A 33 15.919 -5.798 -1.514 1.00 1.00 H new ATOM 0 HG23 ILE A 33 16.366 -4.702 -0.185 1.00 1.00 H new ATOM 0 HD11 ILE A 33 19.911 -2.710 -1.756 1.00 1.00 H new ATOM 0 HD12 ILE A 33 19.453 -3.954 -2.943 1.00 1.00 H new ATOM 0 HD13 ILE A 33 18.195 -2.984 -2.140 1.00 1.00 H new ATOM 540 N SER A 34 17.151 -8.553 -1.607 1.00 1.00 N ATOM 541 CA SER A 34 16.180 -9.592 -1.911 1.00 1.00 C ATOM 542 C SER A 34 15.988 -10.480 -0.681 1.00 1.00 C ATOM 543 O SER A 34 14.907 -11.071 -0.544 1.00 1.00 O ATOM 544 CB SER A 34 16.619 -10.434 -3.111 1.00 1.00 C ATOM 545 OG SER A 34 15.785 -11.575 -3.295 1.00 1.00 O ATOM 0 H SER A 34 17.865 -8.424 -2.324 1.00 1.00 H new ATOM 0 HA SER A 34 15.234 -9.117 -2.172 1.00 1.00 H new ATOM 0 HB2 SER A 34 16.598 -9.820 -4.012 1.00 1.00 H new ATOM 0 HB3 SER A 34 17.650 -10.757 -2.969 1.00 1.00 H new ATOM 0 HG SER A 34 16.096 -12.086 -4.071 1.00 1.00 H new ATOM 551 N ASN A 35 17.021 -10.554 0.176 1.00 1.00 N ATOM 552 CA ASN A 35 16.965 -11.363 1.382 1.00 1.00 C ATOM 553 C ASN A 35 15.929 -10.772 2.340 1.00 1.00 C ATOM 554 O ASN A 35 15.111 -11.538 2.870 1.00 1.00 O ATOM 555 CB ASN A 35 18.317 -11.377 2.099 1.00 1.00 C ATOM 556 CG ASN A 35 18.791 -12.811 2.347 1.00 1.00 C ATOM 557 OD1 ASN A 35 18.048 -13.670 2.791 1.00 1.00 O ATOM 558 ND2 ASN A 35 20.067 -13.019 2.036 1.00 1.00 N ATOM 0 H ASN A 35 17.902 -10.058 0.045 1.00 1.00 H new ATOM 0 HA ASN A 35 16.699 -12.380 1.094 1.00 1.00 H new ATOM 0 HB2 ASN A 35 19.056 -10.844 1.500 1.00 1.00 H new ATOM 0 HB3 ASN A 35 18.235 -10.848 3.048 1.00 1.00 H new ATOM 0 HD21 ASN A 35 20.479 -13.943 2.165 1.00 1.00 H new ATOM 0 HD22 ASN A 35 20.633 -12.255 1.668 1.00 1.00 H new ATOM 565 N ARG A 36 15.982 -9.443 2.539 1.00 1.00 N ATOM 566 CA ARG A 36 15.054 -8.759 3.424 1.00 1.00 C ATOM 567 C ARG A 36 13.953 -8.099 2.591 1.00 1.00 C ATOM 568 O ARG A 36 13.173 -7.319 3.156 1.00 1.00 O ATOM 569 CB ARG A 36 15.759 -7.690 4.262 1.00 1.00 C ATOM 570 CG ARG A 36 17.175 -8.132 4.636 1.00 1.00 C ATOM 571 CD ARG A 36 17.148 -9.431 5.444 1.00 1.00 C ATOM 572 NE ARG A 36 18.522 -9.800 5.854 1.00 1.00 N ATOM 573 CZ ARG A 36 19.189 -9.220 6.874 1.00 1.00 C ATOM 574 NH1 ARG A 36 18.590 -8.246 7.572 1.00 1.00 N ATOM 575 NH2 ARG A 36 20.433 -9.611 7.183 1.00 1.00 N ATOM 0 H ARG A 36 16.664 -8.830 2.092 1.00 1.00 H new ATOM 0 HA ARG A 36 14.628 -9.498 4.103 1.00 1.00 H new ATOM 0 HB2 ARG A 36 15.802 -6.755 3.704 1.00 1.00 H new ATOM 0 HB3 ARG A 36 15.184 -7.495 5.167 1.00 1.00 H new ATOM 0 HG2 ARG A 36 17.766 -8.274 3.731 1.00 1.00 H new ATOM 0 HG3 ARG A 36 17.663 -7.349 5.216 1.00 1.00 H new ATOM 0 HD2 ARG A 36 16.517 -9.308 6.325 1.00 1.00 H new ATOM 0 HD3 ARG A 36 16.710 -10.231 4.847 1.00 1.00 H new ATOM 0 HE ARG A 36 18.994 -10.539 5.333 1.00 1.00 H new ATOM 0 HH11 ARG A 36 17.644 -7.953 7.330 1.00 1.00 H new ATOM 0 HH12 ARG A 36 19.080 -7.797 8.346 1.00 1.00 H new ATOM 0 HH21 ARG A 36 20.883 -10.352 6.646 1.00 1.00 H new ATOM 0 HH22 ARG A 36 20.930 -9.167 7.955 1.00 1.00 H new ATOM 589 N PHE A 37 13.912 -8.421 1.285 1.00 1.00 N ATOM 590 CA PHE A 37 12.916 -7.863 0.386 1.00 1.00 C ATOM 591 C PHE A 37 12.385 -8.969 -0.528 1.00 1.00 C ATOM 592 O PHE A 37 12.596 -8.879 -1.747 1.00 1.00 O ATOM 593 CB PHE A 37 13.555 -6.730 -0.440 1.00 1.00 C ATOM 594 CG PHE A 37 13.861 -5.464 0.349 1.00 1.00 C ATOM 595 CD1 PHE A 37 14.806 -5.495 1.400 1.00 1.00 C ATOM 596 CD2 PHE A 37 13.208 -4.249 0.033 1.00 1.00 C ATOM 597 CE1 PHE A 37 15.095 -4.323 2.131 1.00 1.00 C ATOM 598 CE2 PHE A 37 13.498 -3.077 0.764 1.00 1.00 C ATOM 599 CZ PHE A 37 14.440 -3.114 1.813 1.00 1.00 C ATOM 0 H PHE A 37 14.564 -9.067 0.839 1.00 1.00 H new ATOM 0 HA PHE A 37 12.083 -7.452 0.956 1.00 1.00 H new ATOM 0 HB2 PHE A 37 14.480 -7.099 -0.883 1.00 1.00 H new ATOM 0 HB3 PHE A 37 12.886 -6.477 -1.263 1.00 1.00 H new ATOM 0 HD1 PHE A 37 15.309 -6.419 1.644 1.00 1.00 H new ATOM 0 HD2 PHE A 37 12.486 -4.218 -0.770 1.00 1.00 H new ATOM 0 HE1 PHE A 37 15.817 -4.351 2.934 1.00 1.00 H new ATOM 0 HE2 PHE A 37 12.998 -2.151 0.520 1.00 1.00 H new ATOM 0 HZ PHE A 37 14.660 -2.217 2.373 1.00 1.00 H new ATOM 609 N PRO A 38 11.717 -9.974 0.067 1.00 1.00 N ATOM 610 CA PRO A 38 11.150 -11.099 -0.657 1.00 1.00 C ATOM 611 C PRO A 38 9.878 -10.688 -1.401 1.00 1.00 C ATOM 612 O PRO A 38 9.795 -10.942 -2.612 1.00 1.00 O ATOM 613 CB PRO A 38 10.902 -12.162 0.401 1.00 1.00 C ATOM 614 CG PRO A 38 10.903 -11.432 1.734 1.00 1.00 C ATOM 615 CD PRO A 38 11.488 -10.047 1.507 1.00 1.00 C ATOM 0 HA PRO A 38 11.814 -11.476 -1.435 1.00 1.00 H new ATOM 0 HB2 PRO A 38 9.950 -12.666 0.233 1.00 1.00 H new ATOM 0 HB3 PRO A 38 11.677 -12.928 0.375 1.00 1.00 H new ATOM 0 HG2 PRO A 38 9.890 -11.358 2.130 1.00 1.00 H new ATOM 0 HG3 PRO A 38 11.493 -11.980 2.469 1.00 1.00 H new ATOM 0 HD2 PRO A 38 10.802 -9.268 1.839 1.00 1.00 H new ATOM 0 HD3 PRO A 38 12.416 -9.913 2.063 1.00 1.00 H new ATOM 623 N TYR A 39 8.929 -10.070 -0.676 1.00 1.00 N ATOM 624 CA TYR A 39 7.696 -9.657 -1.323 1.00 1.00 C ATOM 625 C TYR A 39 7.929 -8.339 -2.064 1.00 1.00 C ATOM 626 O TYR A 39 7.029 -7.922 -2.807 1.00 1.00 O ATOM 627 CB TYR A 39 6.567 -9.538 -0.283 1.00 1.00 C ATOM 628 CG TYR A 39 5.170 -9.425 -0.877 1.00 1.00 C ATOM 629 CD1 TYR A 39 4.733 -8.210 -1.453 1.00 1.00 C ATOM 630 CD2 TYR A 39 4.298 -10.538 -0.850 1.00 1.00 C ATOM 631 CE1 TYR A 39 3.436 -8.109 -2.000 1.00 1.00 C ATOM 632 CE2 TYR A 39 3.001 -10.438 -1.397 1.00 1.00 C ATOM 633 CZ TYR A 39 2.569 -9.224 -1.973 1.00 1.00 C ATOM 634 OH TYR A 39 1.313 -9.131 -2.503 1.00 1.00 O ATOM 0 H TYR A 39 8.996 -9.857 0.319 1.00 1.00 H new ATOM 0 HA TYR A 39 7.389 -10.407 -2.052 1.00 1.00 H new ATOM 0 HB2 TYR A 39 6.600 -10.409 0.372 1.00 1.00 H new ATOM 0 HB3 TYR A 39 6.755 -8.664 0.340 1.00 1.00 H new ATOM 0 HD1 TYR A 39 5.394 -7.356 -1.474 1.00 1.00 H new ATOM 0 HD2 TYR A 39 4.626 -11.468 -0.409 1.00 1.00 H new ATOM 0 HE1 TYR A 39 3.106 -7.179 -2.439 1.00 1.00 H new ATOM 0 HE2 TYR A 39 2.339 -11.291 -1.375 1.00 1.00 H new ATOM 0 HH TYR A 39 0.851 -9.989 -2.402 1.00 1.00 H new ATOM 644 N TYR A 40 9.102 -7.717 -1.847 1.00 1.00 N ATOM 645 CA TYR A 40 9.371 -6.455 -2.514 1.00 1.00 C ATOM 646 C TYR A 40 9.815 -6.727 -3.953 1.00 1.00 C ATOM 647 O TYR A 40 9.416 -5.960 -4.841 1.00 1.00 O ATOM 648 CB TYR A 40 10.427 -5.655 -1.730 1.00 1.00 C ATOM 649 CG TYR A 40 9.925 -4.338 -1.155 1.00 1.00 C ATOM 650 CD1 TYR A 40 9.076 -3.510 -1.925 1.00 1.00 C ATOM 651 CD2 TYR A 40 10.296 -3.938 0.149 1.00 1.00 C ATOM 652 CE1 TYR A 40 8.605 -2.289 -1.396 1.00 1.00 C ATOM 653 CE2 TYR A 40 9.825 -2.717 0.678 1.00 1.00 C ATOM 654 CZ TYR A 40 8.979 -1.891 -0.095 1.00 1.00 C ATOM 655 OH TYR A 40 8.522 -0.708 0.413 1.00 1.00 O ATOM 0 H TYR A 40 9.845 -8.060 -1.238 1.00 1.00 H new ATOM 0 HA TYR A 40 8.464 -5.851 -2.546 1.00 1.00 H new ATOM 0 HB2 TYR A 40 10.801 -6.274 -0.914 1.00 1.00 H new ATOM 0 HB3 TYR A 40 11.272 -5.451 -2.388 1.00 1.00 H new ATOM 0 HD1 TYR A 40 8.787 -3.813 -2.921 1.00 1.00 H new ATOM 0 HD2 TYR A 40 10.942 -4.568 0.742 1.00 1.00 H new ATOM 0 HE1 TYR A 40 7.958 -1.659 -1.988 1.00 1.00 H new ATOM 0 HE2 TYR A 40 10.112 -2.414 1.674 1.00 1.00 H new ATOM 0 HH TYR A 40 8.872 -0.585 1.320 1.00 1.00 H new ATOM 665 N ARG A 41 10.623 -7.784 -4.152 1.00 1.00 N ATOM 666 CA ARG A 41 11.118 -8.137 -5.472 1.00 1.00 C ATOM 667 C ARG A 41 9.974 -8.728 -6.300 1.00 1.00 C ATOM 668 O ARG A 41 9.712 -8.211 -7.396 1.00 1.00 O ATOM 669 CB ARG A 41 12.259 -9.153 -5.393 1.00 1.00 C ATOM 670 CG ARG A 41 12.752 -9.534 -6.790 1.00 1.00 C ATOM 671 CD ARG A 41 13.118 -11.019 -6.857 1.00 1.00 C ATOM 672 NE ARG A 41 12.664 -11.595 -8.142 1.00 1.00 N ATOM 673 CZ ARG A 41 13.299 -11.412 -9.320 1.00 1.00 C ATOM 674 NH1 ARG A 41 14.411 -10.666 -9.349 1.00 1.00 N ATOM 675 NH2 ARG A 41 12.824 -11.968 -10.442 1.00 1.00 N ATOM 0 H ARG A 41 10.941 -8.403 -3.406 1.00 1.00 H new ATOM 0 HA ARG A 41 11.502 -7.231 -5.942 1.00 1.00 H new ATOM 0 HB2 ARG A 41 13.083 -8.736 -4.814 1.00 1.00 H new ATOM 0 HB3 ARG A 41 11.920 -10.046 -4.867 1.00 1.00 H new ATOM 0 HG2 ARG A 41 11.978 -9.313 -7.525 1.00 1.00 H new ATOM 0 HG3 ARG A 41 13.621 -8.930 -7.050 1.00 1.00 H new ATOM 0 HD2 ARG A 41 14.196 -11.141 -6.755 1.00 1.00 H new ATOM 0 HD3 ARG A 41 12.657 -11.553 -6.026 1.00 1.00 H new ATOM 0 HE ARG A 41 11.819 -12.166 -8.138 1.00 1.00 H new ATOM 0 HH11 ARG A 41 14.766 -10.246 -8.490 1.00 1.00 H new ATOM 0 HH12 ARG A 41 14.903 -10.518 -10.230 1.00 1.00 H new ATOM 0 HH21 ARG A 41 11.976 -12.535 -10.411 1.00 1.00 H new ATOM 0 HH22 ARG A 41 13.310 -11.825 -11.327 1.00 1.00 H new ATOM 689 N GLU A 42 9.328 -9.781 -5.769 1.00 1.00 N ATOM 690 CA GLU A 42 8.225 -10.433 -6.454 1.00 1.00 C ATOM 691 C GLU A 42 7.261 -9.370 -6.985 1.00 1.00 C ATOM 692 O GLU A 42 6.666 -9.593 -8.050 1.00 1.00 O ATOM 693 CB GLU A 42 7.500 -11.422 -5.538 1.00 1.00 C ATOM 694 CG GLU A 42 6.667 -10.686 -4.487 1.00 1.00 C ATOM 695 CD GLU A 42 5.280 -10.339 -5.031 1.00 1.00 C ATOM 696 OE1 GLU A 42 4.700 -11.123 -5.797 1.00 1.00 O ATOM 697 OE2 GLU A 42 4.805 -9.209 -4.630 1.00 1.00 O ATOM 0 H GLU A 42 9.560 -10.191 -4.864 1.00 1.00 H new ATOM 0 HA GLU A 42 8.623 -11.008 -7.290 1.00 1.00 H new ATOM 0 HB2 GLU A 42 6.854 -12.067 -6.133 1.00 1.00 H new ATOM 0 HB3 GLU A 42 8.227 -12.067 -5.045 1.00 1.00 H new ATOM 0 HG2 GLU A 42 6.567 -11.307 -3.597 1.00 1.00 H new ATOM 0 HG3 GLU A 42 7.181 -9.774 -4.184 1.00 1.00 H new ATOM 704 N LYS A 43 7.128 -8.254 -6.246 1.00 1.00 N ATOM 705 CA LYS A 43 6.245 -7.170 -6.641 1.00 1.00 C ATOM 706 C LYS A 43 6.983 -6.243 -7.608 1.00 1.00 C ATOM 707 O LYS A 43 6.445 -5.972 -8.692 1.00 1.00 O ATOM 708 CB LYS A 43 5.689 -6.456 -5.407 1.00 1.00 C ATOM 709 CG LYS A 43 4.162 -6.388 -5.454 1.00 1.00 C ATOM 710 CD LYS A 43 3.658 -5.022 -4.981 1.00 1.00 C ATOM 711 CE LYS A 43 2.605 -4.464 -5.941 1.00 1.00 C ATOM 712 NZ LYS A 43 1.255 -4.863 -5.512 1.00 1.00 N ATOM 0 H LYS A 43 7.627 -8.090 -5.372 1.00 1.00 H new ATOM 0 HA LYS A 43 5.377 -7.560 -7.173 1.00 1.00 H new ATOM 0 HB2 LYS A 43 6.006 -6.981 -4.506 1.00 1.00 H new ATOM 0 HB3 LYS A 43 6.100 -5.448 -5.350 1.00 1.00 H new ATOM 0 HG2 LYS A 43 3.817 -6.574 -6.471 1.00 1.00 H new ATOM 0 HG3 LYS A 43 3.740 -7.173 -4.826 1.00 1.00 H new ATOM 0 HD2 LYS A 43 3.232 -5.113 -3.982 1.00 1.00 H new ATOM 0 HD3 LYS A 43 4.494 -4.327 -4.909 1.00 1.00 H new ATOM 0 HE2 LYS A 43 2.676 -3.377 -5.976 1.00 1.00 H new ATOM 0 HE3 LYS A 43 2.795 -4.828 -6.951 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 0.552 -4.476 -6.174 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 1.187 -5.901 -5.501 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 1.071 -4.494 -4.557 1.00 1.00 H new ATOM 726 N PHE A 44 8.180 -5.782 -7.206 1.00 1.00 N ATOM 727 CA PHE A 44 8.981 -4.894 -8.031 1.00 1.00 C ATOM 728 C PHE A 44 10.418 -5.416 -8.088 1.00 1.00 C ATOM 729 O PHE A 44 11.232 -4.993 -7.254 1.00 1.00 O ATOM 730 CB PHE A 44 8.938 -3.473 -7.438 1.00 1.00 C ATOM 731 CG PHE A 44 9.367 -2.371 -8.398 1.00 1.00 C ATOM 732 CD1 PHE A 44 8.815 -2.310 -9.698 1.00 1.00 C ATOM 733 CD2 PHE A 44 10.313 -1.400 -7.994 1.00 1.00 C ATOM 734 CE1 PHE A 44 9.207 -1.287 -10.588 1.00 1.00 C ATOM 735 CE2 PHE A 44 10.705 -0.378 -8.885 1.00 1.00 C ATOM 736 CZ PHE A 44 10.152 -0.322 -10.182 1.00 1.00 C ATOM 0 H PHE A 44 8.606 -6.017 -6.309 1.00 1.00 H new ATOM 0 HA PHE A 44 8.582 -4.861 -9.045 1.00 1.00 H new ATOM 0 HB2 PHE A 44 7.923 -3.266 -7.098 1.00 1.00 H new ATOM 0 HB3 PHE A 44 9.581 -3.441 -6.559 1.00 1.00 H new ATOM 0 HD1 PHE A 44 8.091 -3.048 -10.011 1.00 1.00 H new ATOM 0 HD2 PHE A 44 10.736 -1.441 -7.001 1.00 1.00 H new ATOM 0 HE1 PHE A 44 8.783 -1.243 -11.580 1.00 1.00 H new ATOM 0 HE2 PHE A 44 11.428 0.361 -8.574 1.00 1.00 H new ATOM 0 HZ PHE A 44 10.452 0.460 -10.864 1.00 1.00 H new ATOM 746 N PRO A 45 10.697 -6.310 -9.054 1.00 1.00 N ATOM 747 CA PRO A 45 12.010 -6.901 -9.244 1.00 1.00 C ATOM 748 C PRO A 45 12.975 -5.901 -9.884 1.00 1.00 C ATOM 749 O PRO A 45 14.108 -6.293 -10.199 1.00 1.00 O ATOM 750 CB PRO A 45 11.767 -8.128 -10.109 1.00 1.00 C ATOM 751 CG PRO A 45 10.407 -7.920 -10.753 1.00 1.00 C ATOM 752 CD PRO A 45 9.711 -6.786 -10.020 1.00 1.00 C ATOM 0 HA PRO A 45 12.486 -7.180 -8.304 1.00 1.00 H new ATOM 0 HB2 PRO A 45 12.545 -8.233 -10.865 1.00 1.00 H new ATOM 0 HB3 PRO A 45 11.780 -9.038 -9.509 1.00 1.00 H new ATOM 0 HG2 PRO A 45 10.518 -7.679 -11.810 1.00 1.00 H new ATOM 0 HG3 PRO A 45 9.814 -8.833 -10.695 1.00 1.00 H new ATOM 0 HD2 PRO A 45 9.415 -5.993 -10.707 1.00 1.00 H new ATOM 0 HD3 PRO A 45 8.805 -7.133 -9.523 1.00 1.00 H new ATOM 760 N ALA A 46 12.515 -4.649 -10.059 1.00 1.00 N ATOM 761 CA ALA A 46 13.332 -3.605 -10.655 1.00 1.00 C ATOM 762 C ALA A 46 14.207 -2.968 -9.573 1.00 1.00 C ATOM 763 O ALA A 46 14.582 -1.797 -9.732 1.00 1.00 O ATOM 764 CB ALA A 46 12.432 -2.490 -11.191 1.00 1.00 C ATOM 0 H ALA A 46 11.578 -4.347 -9.792 1.00 1.00 H new ATOM 0 HA ALA A 46 13.932 -4.048 -11.450 1.00 1.00 H new ATOM 0 HB1 ALA A 46 13.047 -1.709 -11.637 1.00 1.00 H new ATOM 0 HB2 ALA A 46 11.759 -2.897 -11.945 1.00 1.00 H new ATOM 0 HB3 ALA A 46 11.848 -2.069 -10.373 1.00 1.00 H new ATOM 770 N TRP A 47 14.509 -3.738 -8.512 1.00 1.00 N ATOM 771 CA TRP A 47 15.331 -3.251 -7.418 1.00 1.00 C ATOM 772 C TRP A 47 16.768 -3.063 -7.909 1.00 1.00 C ATOM 773 O TRP A 47 17.382 -2.044 -7.560 1.00 1.00 O ATOM 774 CB TRP A 47 15.229 -4.195 -6.218 1.00 1.00 C ATOM 775 CG TRP A 47 13.994 -3.961 -5.345 1.00 1.00 C ATOM 776 CD1 TRP A 47 12.889 -4.714 -5.259 1.00 1.00 C ATOM 777 CD2 TRP A 47 13.783 -2.864 -4.432 1.00 1.00 C ATOM 778 NE1 TRP A 47 11.985 -4.185 -4.361 1.00 1.00 N ATOM 779 CE2 TRP A 47 12.545 -3.024 -3.842 1.00 1.00 C ATOM 780 CE3 TRP A 47 14.610 -1.771 -4.115 1.00 1.00 C ATOM 781 CZ2 TRP A 47 12.024 -2.130 -2.900 1.00 1.00 C ATOM 782 CZ3 TRP A 47 14.074 -0.887 -3.171 1.00 1.00 C ATOM 783 CH2 TRP A 47 12.830 -1.034 -2.568 1.00 1.00 C ATOM 0 H TRP A 47 14.190 -4.700 -8.400 1.00 1.00 H new ATOM 0 HA TRP A 47 14.972 -2.279 -7.078 1.00 1.00 H new ATOM 0 HB2 TRP A 47 15.217 -5.224 -6.578 1.00 1.00 H new ATOM 0 HB3 TRP A 47 16.122 -4.083 -5.603 1.00 1.00 H new ATOM 0 HD1 TRP A 47 12.726 -5.621 -5.822 1.00 1.00 H new ATOM 0 HE1 TRP A 47 11.073 -4.575 -4.122 1.00 1.00 H new ATOM 0 HE3 TRP A 47 15.581 -1.625 -4.564 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 11.052 -2.277 -2.453 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 14.669 -0.030 -2.891 1.00 1.00 H new ATOM 0 HH2 TRP A 47 12.487 -0.307 -1.847 1.00 1.00 H new ATOM 794 N GLN A 48 17.267 -4.033 -8.696 1.00 1.00 N ATOM 795 CA GLN A 48 18.618 -3.973 -9.229 1.00 1.00 C ATOM 796 C GLN A 48 18.795 -2.673 -10.015 1.00 1.00 C ATOM 797 O GLN A 48 19.839 -2.024 -9.855 1.00 1.00 O ATOM 798 CB GLN A 48 18.932 -5.190 -10.102 1.00 1.00 C ATOM 799 CG GLN A 48 19.710 -6.245 -9.313 1.00 1.00 C ATOM 800 CD GLN A 48 20.555 -7.114 -10.246 1.00 1.00 C ATOM 801 OE1 GLN A 48 21.774 -7.065 -10.248 1.00 1.00 O ATOM 802 NE2 GLN A 48 19.843 -7.910 -11.038 1.00 1.00 N ATOM 0 H GLN A 48 16.745 -4.865 -8.971 1.00 1.00 H new ATOM 0 HA GLN A 48 19.323 -3.989 -8.398 1.00 1.00 H new ATOM 0 HB2 GLN A 48 18.004 -5.622 -10.477 1.00 1.00 H new ATOM 0 HB3 GLN A 48 19.513 -4.879 -10.971 1.00 1.00 H new ATOM 0 HG2 GLN A 48 20.355 -5.756 -8.583 1.00 1.00 H new ATOM 0 HG3 GLN A 48 19.015 -6.873 -8.755 1.00 1.00 H new ATOM 0 HE21 GLN A 48 18.824 -7.902 -10.986 1.00 1.00 H new ATOM 0 HE22 GLN A 48 20.315 -8.528 -11.697 1.00 1.00 H new ATOM 811 N ASN A 49 17.788 -2.325 -10.836 1.00 1.00 N ATOM 812 CA ASN A 49 17.832 -1.114 -11.638 1.00 1.00 C ATOM 813 C ASN A 49 17.445 0.084 -10.768 1.00 1.00 C ATOM 814 O ASN A 49 18.112 1.125 -10.868 1.00 1.00 O ATOM 815 CB ASN A 49 16.845 -1.189 -12.805 1.00 1.00 C ATOM 816 CG ASN A 49 17.206 -0.178 -13.895 1.00 1.00 C ATOM 817 OD1 ASN A 49 17.795 -0.506 -14.912 1.00 1.00 O ATOM 818 ND2 ASN A 49 16.822 1.067 -13.627 1.00 1.00 N ATOM 0 H ASN A 49 16.937 -2.874 -10.954 1.00 1.00 H new ATOM 0 HA ASN A 49 18.844 -1.005 -12.028 1.00 1.00 H new ATOM 0 HB2 ASN A 49 16.847 -2.196 -13.223 1.00 1.00 H new ATOM 0 HB3 ASN A 49 15.835 -0.995 -12.444 1.00 1.00 H new ATOM 0 HD21 ASN A 49 17.017 1.815 -14.292 1.00 1.00 H new ATOM 0 HD22 ASN A 49 16.332 1.273 -12.756 1.00 1.00 H new ATOM 825 N SER A 50 16.394 -0.084 -9.947 1.00 1.00 N ATOM 826 CA SER A 50 15.926 0.976 -9.069 1.00 1.00 C ATOM 827 C SER A 50 17.017 1.307 -8.050 1.00 1.00 C ATOM 828 O SER A 50 17.542 2.430 -8.092 1.00 1.00 O ATOM 829 CB SER A 50 14.633 0.580 -8.354 1.00 1.00 C ATOM 830 OG SER A 50 13.502 0.644 -9.219 1.00 1.00 O ATOM 0 H SER A 50 15.859 -0.950 -9.881 1.00 1.00 H new ATOM 0 HA SER A 50 15.709 1.857 -9.674 1.00 1.00 H new ATOM 0 HB2 SER A 50 14.732 -0.432 -7.961 1.00 1.00 H new ATOM 0 HB3 SER A 50 14.474 1.239 -7.501 1.00 1.00 H new ATOM 0 HG SER A 50 13.440 -0.185 -9.738 1.00 1.00 H new ATOM 836 N ILE A 51 17.331 0.341 -7.168 1.00 1.00 N ATOM 837 CA ILE A 51 18.350 0.530 -6.150 1.00 1.00 C ATOM 838 C ILE A 51 19.641 1.019 -6.810 1.00 1.00 C ATOM 839 O ILE A 51 20.268 1.941 -6.267 1.00 1.00 O ATOM 840 CB ILE A 51 18.527 -0.748 -5.326 1.00 1.00 C ATOM 841 CG1 ILE A 51 18.754 -0.420 -3.849 1.00 1.00 C ATOM 842 CG2 ILE A 51 19.647 -1.618 -5.898 1.00 1.00 C ATOM 843 CD1 ILE A 51 17.434 -0.438 -3.075 1.00 1.00 C ATOM 0 H ILE A 51 16.886 -0.576 -7.150 1.00 1.00 H new ATOM 0 HA ILE A 51 18.043 1.300 -5.442 1.00 1.00 H new ATOM 0 HB ILE A 51 17.605 -1.326 -5.390 1.00 1.00 H new ATOM 0 HG12 ILE A 51 19.445 -1.142 -3.414 1.00 1.00 H new ATOM 0 HG13 ILE A 51 19.220 0.561 -3.758 1.00 1.00 H new ATOM 0 HG21 ILE A 51 19.752 -2.519 -5.294 1.00 1.00 H new ATOM 0 HG22 ILE A 51 19.405 -1.895 -6.924 1.00 1.00 H new ATOM 0 HG23 ILE A 51 20.584 -1.061 -5.884 1.00 1.00 H new ATOM 0 HD11 ILE A 51 17.623 -0.202 -2.028 1.00 1.00 H new ATOM 0 HD12 ILE A 51 16.755 0.302 -3.497 1.00 1.00 H new ATOM 0 HD13 ILE A 51 16.983 -1.428 -3.148 1.00 1.00 H new ATOM 855 N ARG A 52 20.006 0.404 -7.949 1.00 1.00 N ATOM 856 CA ARG A 52 21.210 0.775 -8.673 1.00 1.00 C ATOM 857 C ARG A 52 21.310 2.300 -8.740 1.00 1.00 C ATOM 858 O ARG A 52 22.428 2.824 -8.628 1.00 1.00 O ATOM 859 CB ARG A 52 21.210 0.208 -10.094 1.00 1.00 C ATOM 860 CG ARG A 52 22.111 1.035 -11.014 1.00 1.00 C ATOM 861 CD ARG A 52 21.280 1.924 -11.941 1.00 1.00 C ATOM 862 NE ARG A 52 21.164 1.295 -13.275 1.00 1.00 N ATOM 863 CZ ARG A 52 20.258 1.661 -14.208 1.00 1.00 C ATOM 864 NH1 ARG A 52 19.402 2.652 -13.928 1.00 1.00 N ATOM 865 NH2 ARG A 52 20.217 1.041 -15.395 1.00 1.00 N ATOM 0 H ARG A 52 19.475 -0.353 -8.380 1.00 1.00 H new ATOM 0 HA ARG A 52 22.066 0.359 -8.141 1.00 1.00 H new ATOM 0 HB2 ARG A 52 21.553 -0.826 -10.077 1.00 1.00 H new ATOM 0 HB3 ARG A 52 20.193 0.200 -10.486 1.00 1.00 H new ATOM 0 HG2 ARG A 52 22.779 1.653 -10.415 1.00 1.00 H new ATOM 0 HG3 ARG A 52 22.738 0.370 -11.608 1.00 1.00 H new ATOM 0 HD2 ARG A 52 20.288 2.080 -11.516 1.00 1.00 H new ATOM 0 HD3 ARG A 52 21.746 2.905 -12.032 1.00 1.00 H new ATOM 0 HE ARG A 52 21.808 0.538 -13.505 1.00 1.00 H new ATOM 0 HH11 ARG A 52 19.440 3.118 -13.022 1.00 1.00 H new ATOM 0 HH12 ARG A 52 18.712 2.941 -14.621 1.00 1.00 H new ATOM 0 HH21 ARG A 52 20.873 0.287 -15.599 1.00 1.00 H new ATOM 0 HH22 ARG A 52 19.530 1.323 -16.094 1.00 1.00 H new ATOM 879 N HIS A 53 20.158 2.972 -8.918 1.00 1.00 N ATOM 880 CA HIS A 53 20.117 4.422 -8.999 1.00 1.00 C ATOM 881 C HIS A 53 20.137 5.008 -7.586 1.00 1.00 C ATOM 882 O HIS A 53 21.029 5.818 -7.296 1.00 1.00 O ATOM 883 CB HIS A 53 18.913 4.891 -9.819 1.00 1.00 C ATOM 884 CG HIS A 53 18.337 6.210 -9.364 1.00 1.00 C ATOM 885 ND1 HIS A 53 17.582 6.341 -8.211 1.00 1.00 N ATOM 886 CD2 HIS A 53 18.414 7.455 -9.917 1.00 1.00 C ATOM 887 CE1 HIS A 53 17.225 7.611 -8.087 1.00 1.00 C ATOM 888 NE2 HIS A 53 17.741 8.300 -9.145 1.00 1.00 N ATOM 0 H HIS A 53 19.247 2.522 -9.007 1.00 1.00 H new ATOM 0 HA HIS A 53 21.000 4.787 -9.524 1.00 1.00 H new ATOM 0 HB2 HIS A 53 19.210 4.977 -10.864 1.00 1.00 H new ATOM 0 HB3 HIS A 53 18.134 4.130 -9.770 1.00 1.00 H new ATOM 0 HD2 HIS A 53 18.934 7.710 -10.828 1.00 1.00 H new ATOM 0 HE1 HIS A 53 16.630 8.028 -7.288 1.00 1.00 H new ATOM 0 HE2 HIS A 53 17.628 9.299 -9.315 1.00 1.00 H new ATOM 896 N ASN A 54 19.169 4.595 -6.749 1.00 1.00 N ATOM 897 CA ASN A 54 19.076 5.075 -5.381 1.00 1.00 C ATOM 898 C ASN A 54 20.368 4.732 -4.636 1.00 1.00 C ATOM 899 O ASN A 54 20.713 5.455 -3.690 1.00 1.00 O ATOM 900 CB ASN A 54 17.913 4.412 -4.641 1.00 1.00 C ATOM 901 CG ASN A 54 16.617 4.521 -5.448 1.00 1.00 C ATOM 902 OD1 ASN A 54 16.493 4.002 -6.545 1.00 1.00 O ATOM 903 ND2 ASN A 54 15.662 5.223 -4.845 1.00 1.00 N ATOM 0 H ASN A 54 18.443 3.927 -7.008 1.00 1.00 H new ATOM 0 HA ASN A 54 18.915 6.153 -5.413 1.00 1.00 H new ATOM 0 HB2 ASN A 54 18.145 3.363 -4.458 1.00 1.00 H new ATOM 0 HB3 ASN A 54 17.780 4.884 -3.667 1.00 1.00 H new ATOM 0 HD21 ASN A 54 14.759 5.353 -5.302 1.00 1.00 H new ATOM 0 HD22 ASN A 54 15.832 5.631 -3.926 1.00 1.00 H new ATOM 910 N LEU A 55 21.044 3.652 -5.069 1.00 1.00 N ATOM 911 CA LEU A 55 22.284 3.220 -4.447 1.00 1.00 C ATOM 912 C LEU A 55 23.355 4.292 -4.656 1.00 1.00 C ATOM 913 O LEU A 55 23.955 4.727 -3.663 1.00 1.00 O ATOM 914 CB LEU A 55 22.688 1.837 -4.963 1.00 1.00 C ATOM 915 CG LEU A 55 23.831 1.150 -4.214 1.00 1.00 C ATOM 916 CD1 LEU A 55 23.353 0.604 -2.867 1.00 1.00 C ATOM 917 CD2 LEU A 55 24.476 0.063 -5.076 1.00 1.00 C ATOM 0 H LEU A 55 20.742 3.069 -5.850 1.00 1.00 H new ATOM 0 HA LEU A 55 22.152 3.107 -3.371 1.00 1.00 H new ATOM 0 HB2 LEU A 55 21.813 1.187 -4.926 1.00 1.00 H new ATOM 0 HB3 LEU A 55 22.971 1.931 -6.011 1.00 1.00 H new ATOM 0 HG LEU A 55 24.599 1.894 -4.006 1.00 1.00 H new ATOM 0 HD11 LEU A 55 24.185 0.120 -2.355 1.00 1.00 H new ATOM 0 HD12 LEU A 55 22.977 1.424 -2.255 1.00 1.00 H new ATOM 0 HD13 LEU A 55 22.556 -0.122 -3.031 1.00 1.00 H new ATOM 0 HD21 LEU A 55 25.286 -0.410 -4.520 1.00 1.00 H new ATOM 0 HD22 LEU A 55 23.728 -0.686 -5.336 1.00 1.00 H new ATOM 0 HD23 LEU A 55 24.874 0.510 -5.987 1.00 1.00 H new ATOM 929 N SER A 56 23.570 4.689 -5.923 1.00 1.00 N ATOM 930 CA SER A 56 24.559 5.700 -6.256 1.00 1.00 C ATOM 931 C SER A 56 23.971 7.089 -5.995 1.00 1.00 C ATOM 932 O SER A 56 24.710 8.076 -6.123 1.00 1.00 O ATOM 933 CB SER A 56 25.014 5.582 -7.712 1.00 1.00 C ATOM 934 OG SER A 56 25.548 6.807 -8.206 1.00 1.00 O ATOM 0 H SER A 56 23.065 4.317 -6.727 1.00 1.00 H new ATOM 0 HA SER A 56 25.435 5.546 -5.626 1.00 1.00 H new ATOM 0 HB2 SER A 56 25.768 4.799 -7.794 1.00 1.00 H new ATOM 0 HB3 SER A 56 24.170 5.278 -8.332 1.00 1.00 H new ATOM 0 HG SER A 56 25.267 7.544 -7.625 1.00 1.00 H new ATOM 940 N LEU A 57 22.674 7.137 -5.640 1.00 1.00 N ATOM 941 CA LEU A 57 21.997 8.392 -5.365 1.00 1.00 C ATOM 942 C LEU A 57 22.283 8.815 -3.922 1.00 1.00 C ATOM 943 O LEU A 57 21.830 9.898 -3.524 1.00 1.00 O ATOM 944 CB LEU A 57 20.506 8.279 -5.688 1.00 1.00 C ATOM 945 CG LEU A 57 19.967 9.270 -6.722 1.00 1.00 C ATOM 946 CD1 LEU A 57 20.063 10.707 -6.206 1.00 1.00 C ATOM 947 CD2 LEU A 57 20.674 9.097 -8.068 1.00 1.00 C ATOM 0 H LEU A 57 22.083 6.312 -5.540 1.00 1.00 H new ATOM 0 HA LEU A 57 22.381 9.181 -6.012 1.00 1.00 H new ATOM 0 HB2 LEU A 57 20.307 7.268 -6.045 1.00 1.00 H new ATOM 0 HB3 LEU A 57 19.943 8.407 -4.763 1.00 1.00 H new ATOM 0 HG LEU A 57 18.911 9.055 -6.883 1.00 1.00 H new ATOM 0 HD11 LEU A 57 19.673 11.391 -6.960 1.00 1.00 H new ATOM 0 HD12 LEU A 57 19.479 10.805 -5.291 1.00 1.00 H new ATOM 0 HD13 LEU A 57 21.105 10.950 -5.999 1.00 1.00 H new ATOM 0 HD21 LEU A 57 20.272 9.813 -8.785 1.00 1.00 H new ATOM 0 HD22 LEU A 57 21.743 9.270 -7.942 1.00 1.00 H new ATOM 0 HD23 LEU A 57 20.511 8.084 -8.437 1.00 1.00 H new ATOM 959 N ASN A 58 23.017 7.967 -3.180 1.00 1.00 N ATOM 960 CA ASN A 58 23.358 8.251 -1.796 1.00 1.00 C ATOM 961 C ASN A 58 24.766 8.846 -1.735 1.00 1.00 C ATOM 962 O ASN A 58 24.883 10.078 -1.666 1.00 1.00 O ATOM 963 CB ASN A 58 23.346 6.975 -0.953 1.00 1.00 C ATOM 964 CG ASN A 58 23.388 7.304 0.541 1.00 1.00 C ATOM 965 OD1 ASN A 58 22.372 7.469 1.195 1.00 1.00 O ATOM 966 ND2 ASN A 58 24.617 7.391 1.041 1.00 1.00 N ATOM 0 H ASN A 58 23.381 7.080 -3.527 1.00 1.00 H new ATOM 0 HA ASN A 58 22.619 8.949 -1.402 1.00 1.00 H new ATOM 0 HB2 ASN A 58 22.450 6.396 -1.176 1.00 1.00 H new ATOM 0 HB3 ASN A 58 24.202 6.353 -1.216 1.00 1.00 H new ATOM 0 HD21 ASN A 58 24.752 7.608 2.029 1.00 1.00 H new ATOM 0 HD22 ASN A 58 25.425 7.241 0.437 1.00 1.00 H new ATOM 973 N ASP A 59 25.790 7.974 -1.760 1.00 1.00 N ATOM 974 CA ASP A 59 27.175 8.410 -1.707 1.00 1.00 C ATOM 975 C ASP A 59 27.666 8.708 -3.126 1.00 1.00 C ATOM 976 O ASP A 59 28.473 9.634 -3.288 1.00 1.00 O ATOM 977 CB ASP A 59 28.073 7.322 -1.115 1.00 1.00 C ATOM 978 CG ASP A 59 27.714 6.892 0.309 1.00 1.00 C ATOM 979 OD1 ASP A 59 28.049 7.577 1.287 1.00 1.00 O ATOM 980 OD2 ASP A 59 27.053 5.787 0.394 1.00 1.00 O ATOM 0 H ASP A 59 25.672 6.962 -1.817 1.00 1.00 H new ATOM 0 HA ASP A 59 27.225 9.300 -1.079 1.00 1.00 H new ATOM 0 HB2 ASP A 59 28.034 6.447 -1.764 1.00 1.00 H new ATOM 0 HB3 ASP A 59 29.103 7.678 -1.122 1.00 1.00 H new ATOM 985 N CYS A 60 27.177 7.929 -4.108 1.00 1.00 N ATOM 986 CA CYS A 60 27.563 8.109 -5.497 1.00 1.00 C ATOM 987 C CYS A 60 28.939 7.481 -5.724 1.00 1.00 C ATOM 988 O CYS A 60 29.915 8.233 -5.865 1.00 1.00 O ATOM 989 CB CYS A 60 27.538 9.587 -5.890 1.00 1.00 C ATOM 990 SG CYS A 60 26.416 9.993 -7.260 1.00 1.00 S ATOM 0 H CYS A 60 26.513 7.170 -3.953 1.00 1.00 H new ATOM 0 HA CYS A 60 26.842 7.605 -6.140 1.00 1.00 H new ATOM 0 HB2 CYS A 60 27.252 10.175 -5.018 1.00 1.00 H new ATOM 0 HB3 CYS A 60 28.548 9.893 -6.163 1.00 1.00 H new ATOM 0 HG CYS A 60 25.260 9.435 -7.054 1.00 1.00 H new ATOM 996 N PHE A 61 28.990 6.137 -5.755 1.00 1.00 N ATOM 997 CA PHE A 61 30.236 5.418 -5.964 1.00 1.00 C ATOM 998 C PHE A 61 30.487 5.267 -7.465 1.00 1.00 C ATOM 999 O PHE A 61 29.778 5.914 -8.250 1.00 1.00 O ATOM 1000 CB PHE A 61 30.146 4.039 -5.282 1.00 1.00 C ATOM 1001 CG PHE A 61 28.829 3.768 -4.568 1.00 1.00 C ATOM 1002 CD1 PHE A 61 28.307 4.710 -3.650 1.00 1.00 C ATOM 1003 CD2 PHE A 61 28.123 2.568 -4.813 1.00 1.00 C ATOM 1004 CE1 PHE A 61 27.088 4.453 -2.987 1.00 1.00 C ATOM 1005 CE2 PHE A 61 26.904 2.312 -4.149 1.00 1.00 C ATOM 1006 CZ PHE A 61 26.387 3.255 -3.236 1.00 1.00 C ATOM 0 H PHE A 61 28.174 5.536 -5.637 1.00 1.00 H new ATOM 0 HA PHE A 61 31.068 5.970 -5.527 1.00 1.00 H new ATOM 0 HB2 PHE A 61 30.302 3.266 -6.034 1.00 1.00 H new ATOM 0 HB3 PHE A 61 30.959 3.951 -4.562 1.00 1.00 H new ATOM 0 HD1 PHE A 61 28.843 5.628 -3.456 1.00 1.00 H new ATOM 0 HD2 PHE A 61 28.518 1.844 -5.511 1.00 1.00 H new ATOM 0 HE1 PHE A 61 26.692 5.175 -2.288 1.00 1.00 H new ATOM 0 HE2 PHE A 61 26.367 1.394 -4.340 1.00 1.00 H new ATOM 0 HZ PHE A 61 25.454 3.059 -2.728 1.00 1.00 H new ATOM 1016 N VAL A 62 31.475 4.430 -7.829 1.00 1.00 N ATOM 1017 CA VAL A 62 31.814 4.198 -9.223 1.00 1.00 C ATOM 1018 C VAL A 62 31.506 2.743 -9.583 1.00 1.00 C ATOM 1019 O VAL A 62 32.287 1.862 -9.197 1.00 1.00 O ATOM 1020 CB VAL A 62 33.273 4.581 -9.477 1.00 1.00 C ATOM 1021 CG1 VAL A 62 33.446 6.101 -9.497 1.00 1.00 C ATOM 1022 CG2 VAL A 62 34.197 3.937 -8.442 1.00 1.00 C ATOM 0 H VAL A 62 32.048 3.907 -7.166 1.00 1.00 H new ATOM 0 HA VAL A 62 31.208 4.829 -9.874 1.00 1.00 H new ATOM 0 HB VAL A 62 33.553 4.200 -10.459 1.00 1.00 H new ATOM 0 HG11 VAL A 62 34.492 6.346 -9.679 1.00 1.00 H new ATOM 0 HG12 VAL A 62 32.830 6.527 -10.289 1.00 1.00 H new ATOM 0 HG13 VAL A 62 33.139 6.515 -8.537 1.00 1.00 H new ATOM 0 HG21 VAL A 62 35.228 4.225 -8.645 1.00 1.00 H new ATOM 0 HG22 VAL A 62 33.916 4.274 -7.444 1.00 1.00 H new ATOM 0 HG23 VAL A 62 34.106 2.852 -8.498 1.00 1.00 H new ATOM 1032 N LYS A 63 30.391 2.524 -10.304 1.00 1.00 N ATOM 1033 CA LYS A 63 29.987 1.189 -10.710 1.00 1.00 C ATOM 1034 C LYS A 63 30.797 0.767 -11.937 1.00 1.00 C ATOM 1035 O LYS A 63 31.081 1.629 -12.781 1.00 1.00 O ATOM 1036 CB LYS A 63 28.473 1.129 -10.922 1.00 1.00 C ATOM 1037 CG LYS A 63 28.067 1.879 -12.192 1.00 1.00 C ATOM 1038 CD LYS A 63 26.657 2.460 -12.059 1.00 1.00 C ATOM 1039 CE LYS A 63 26.708 3.934 -11.653 1.00 1.00 C ATOM 1040 NZ LYS A 63 26.133 4.780 -12.711 1.00 1.00 N ATOM 0 H LYS A 63 29.761 3.264 -10.612 1.00 1.00 H new ATOM 0 HA LYS A 63 30.204 0.469 -9.921 1.00 1.00 H new ATOM 0 HB2 LYS A 63 28.153 0.089 -10.991 1.00 1.00 H new ATOM 0 HB3 LYS A 63 27.964 1.562 -10.061 1.00 1.00 H new ATOM 0 HG2 LYS A 63 28.778 2.682 -12.388 1.00 1.00 H new ATOM 0 HG3 LYS A 63 28.107 1.203 -13.046 1.00 1.00 H new ATOM 0 HD2 LYS A 63 26.127 2.358 -13.006 1.00 1.00 H new ATOM 0 HD3 LYS A 63 26.095 1.894 -11.316 1.00 1.00 H new ATOM 0 HE2 LYS A 63 26.158 4.080 -10.723 1.00 1.00 H new ATOM 0 HE3 LYS A 63 27.740 4.230 -11.463 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 26.175 5.777 -12.419 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 26.674 4.653 -13.590 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 25.142 4.508 -12.873 1.00 1.00 H new ATOM 1054 N ILE A 64 31.146 -0.530 -12.011 1.00 1.00 N ATOM 1055 CA ILE A 64 31.915 -1.058 -13.125 1.00 1.00 C ATOM 1056 C ILE A 64 31.217 -2.303 -13.677 1.00 1.00 C ATOM 1057 O ILE A 64 31.829 -3.381 -13.652 1.00 1.00 O ATOM 1058 CB ILE A 64 33.367 -1.301 -12.707 1.00 1.00 C ATOM 1059 CG1 ILE A 64 34.015 -2.378 -13.579 1.00 1.00 C ATOM 1060 CG2 ILE A 64 33.459 -1.636 -11.217 1.00 1.00 C ATOM 1061 CD1 ILE A 64 34.244 -3.664 -12.782 1.00 1.00 C ATOM 0 H ILE A 64 30.901 -1.224 -11.305 1.00 1.00 H new ATOM 0 HA ILE A 64 31.959 -0.331 -13.936 1.00 1.00 H new ATOM 0 HB ILE A 64 33.928 -0.380 -12.865 1.00 1.00 H new ATOM 0 HG12 ILE A 64 33.378 -2.587 -14.438 1.00 1.00 H new ATOM 0 HG13 ILE A 64 34.965 -2.013 -13.968 1.00 1.00 H new ATOM 0 HG21 ILE A 64 34.501 -1.804 -10.946 1.00 1.00 H new ATOM 0 HG22 ILE A 64 33.061 -0.807 -10.632 1.00 1.00 H new ATOM 0 HG23 ILE A 64 32.880 -2.536 -11.010 1.00 1.00 H new ATOM 0 HD11 ILE A 64 34.706 -4.413 -13.425 1.00 1.00 H new ATOM 0 HD12 ILE A 64 34.901 -3.456 -11.937 1.00 1.00 H new ATOM 0 HD13 ILE A 64 33.289 -4.040 -12.415 1.00 1.00 H new ATOM 1073 N PRO A 65 29.972 -2.133 -14.155 1.00 1.00 N ATOM 1074 CA PRO A 65 29.173 -3.211 -14.713 1.00 1.00 C ATOM 1075 C PRO A 65 29.664 -3.590 -16.111 1.00 1.00 C ATOM 1076 O PRO A 65 28.820 -3.848 -16.982 1.00 1.00 O ATOM 1077 CB PRO A 65 27.746 -2.687 -14.706 1.00 1.00 C ATOM 1078 CG PRO A 65 27.857 -1.176 -14.581 1.00 1.00 C ATOM 1079 CD PRO A 65 29.282 -0.846 -14.167 1.00 1.00 C ATOM 0 HA PRO A 65 29.248 -4.133 -14.136 1.00 1.00 H new ATOM 0 HB2 PRO A 65 27.223 -2.966 -15.621 1.00 1.00 H new ATOM 0 HB3 PRO A 65 27.180 -3.107 -13.875 1.00 1.00 H new ATOM 0 HG2 PRO A 65 27.614 -0.696 -15.529 1.00 1.00 H new ATOM 0 HG3 PRO A 65 27.148 -0.801 -13.843 1.00 1.00 H new ATOM 0 HD2 PRO A 65 29.748 -0.154 -14.868 1.00 1.00 H new ATOM 0 HD3 PRO A 65 29.310 -0.373 -13.186 1.00 1.00 H new ATOM 1087 N ARG A 66 30.996 -3.615 -16.295 1.00 1.00 N ATOM 1088 CA ARG A 66 31.590 -3.960 -17.576 1.00 1.00 C ATOM 1089 C ARG A 66 33.102 -3.738 -17.508 1.00 1.00 C ATOM 1090 O ARG A 66 33.549 -2.625 -17.821 1.00 1.00 O ATOM 1091 CB ARG A 66 31.008 -3.117 -18.712 1.00 1.00 C ATOM 1092 CG ARG A 66 31.155 -3.832 -20.057 1.00 1.00 C ATOM 1093 CD ARG A 66 29.931 -4.702 -20.352 1.00 1.00 C ATOM 1094 NE ARG A 66 30.285 -6.134 -20.228 1.00 1.00 N ATOM 1095 CZ ARG A 66 29.552 -7.142 -20.746 1.00 1.00 C ATOM 1096 NH1 ARG A 66 28.429 -6.851 -21.417 1.00 1.00 N ATOM 1097 NH2 ARG A 66 29.941 -8.415 -20.590 1.00 1.00 N ATOM 0 H ARG A 66 31.673 -3.398 -15.564 1.00 1.00 H new ATOM 0 HA ARG A 66 31.367 -5.007 -17.781 1.00 1.00 H new ATOM 0 HB2 ARG A 66 29.955 -2.915 -18.517 1.00 1.00 H new ATOM 0 HB3 ARG A 66 31.516 -2.153 -18.751 1.00 1.00 H new ATOM 0 HG2 ARG A 66 31.283 -3.097 -20.852 1.00 1.00 H new ATOM 0 HG3 ARG A 66 32.052 -4.451 -20.048 1.00 1.00 H new ATOM 0 HD2 ARG A 66 29.125 -4.457 -19.660 1.00 1.00 H new ATOM 0 HD3 ARG A 66 29.562 -4.496 -21.357 1.00 1.00 H new ATOM 0 HE ARG A 66 31.136 -6.374 -19.719 1.00 1.00 H new ATOM 0 HH11 ARG A 66 28.140 -5.879 -21.530 1.00 1.00 H new ATOM 0 HH12 ARG A 66 27.864 -7.601 -21.815 1.00 1.00 H new ATOM 0 HH21 ARG A 66 30.796 -8.628 -20.077 1.00 1.00 H new ATOM 0 HH22 ARG A 66 29.382 -9.171 -20.984 1.00 1.00 H new ATOM 1111 N GLU A 67 33.847 -4.783 -17.108 1.00 1.00 N ATOM 1112 CA GLU A 67 35.294 -4.702 -17.001 1.00 1.00 C ATOM 1113 C GLU A 67 35.923 -5.880 -17.747 1.00 1.00 C ATOM 1114 O GLU A 67 35.722 -7.025 -17.318 1.00 1.00 O ATOM 1115 CB GLU A 67 35.749 -4.672 -15.541 1.00 1.00 C ATOM 1116 CG GLU A 67 37.264 -4.861 -15.435 1.00 1.00 C ATOM 1117 CD GLU A 67 38.009 -3.684 -16.068 1.00 1.00 C ATOM 1118 OE1 GLU A 67 37.645 -2.522 -15.836 1.00 1.00 O ATOM 1119 OE2 GLU A 67 39.001 -4.011 -16.826 1.00 1.00 O ATOM 0 H GLU A 67 33.459 -5.692 -16.855 1.00 1.00 H new ATOM 0 HA GLU A 67 35.626 -3.769 -17.456 1.00 1.00 H new ATOM 0 HB2 GLU A 67 35.465 -3.723 -15.087 1.00 1.00 H new ATOM 0 HB3 GLU A 67 35.241 -5.458 -14.982 1.00 1.00 H new ATOM 0 HG2 GLU A 67 37.550 -4.956 -14.387 1.00 1.00 H new ATOM 0 HG3 GLU A 67 37.554 -5.788 -15.930 1.00 1.00 H new ATOM 1204 N GLY A 74 30.718 -10.827 -10.613 1.00 1.00 N ATOM 1205 CA GLY A 74 29.955 -9.719 -11.161 1.00 1.00 C ATOM 1206 C GLY A 74 30.866 -8.497 -11.298 1.00 1.00 C ATOM 1207 O GLY A 74 31.818 -8.557 -12.089 1.00 1.00 O ATOM 0 HA2 GLY A 74 29.544 -9.991 -12.133 1.00 1.00 H new ATOM 0 HA3 GLY A 74 29.111 -9.487 -10.511 1.00 1.00 H new ATOM 1211 N ASN A 75 30.561 -7.430 -10.537 1.00 1.00 N ATOM 1212 CA ASN A 75 31.346 -6.208 -10.574 1.00 1.00 C ATOM 1213 C ASN A 75 31.552 -5.697 -9.147 1.00 1.00 C ATOM 1214 O ASN A 75 31.446 -6.502 -8.210 1.00 1.00 O ATOM 1215 CB ASN A 75 30.629 -5.116 -11.369 1.00 1.00 C ATOM 1216 CG ASN A 75 29.691 -5.725 -12.414 1.00 1.00 C ATOM 1217 OD1 ASN A 75 30.093 -6.491 -13.274 1.00 1.00 O ATOM 1218 ND2 ASN A 75 28.423 -5.342 -12.292 1.00 1.00 N ATOM 0 H ASN A 75 29.772 -7.401 -9.891 1.00 1.00 H new ATOM 0 HA ASN A 75 32.299 -6.434 -11.052 1.00 1.00 H new ATOM 0 HB2 ASN A 75 30.060 -4.481 -10.690 1.00 1.00 H new ATOM 0 HB3 ASN A 75 31.363 -4.478 -11.862 1.00 1.00 H new ATOM 0 HD21 ASN A 75 27.720 -5.693 -12.942 1.00 1.00 H new ATOM 0 HD22 ASN A 75 28.154 -4.698 -11.548 1.00 1.00 H new ATOM 1225 N TYR A 76 31.837 -4.389 -9.011 1.00 1.00 N ATOM 1226 CA TYR A 76 32.049 -3.842 -7.682 1.00 1.00 C ATOM 1227 C TYR A 76 32.163 -2.319 -7.775 1.00 1.00 C ATOM 1228 O TYR A 76 33.001 -1.845 -8.557 1.00 1.00 O ATOM 1229 CB TYR A 76 33.299 -4.473 -7.042 1.00 1.00 C ATOM 1230 CG TYR A 76 34.426 -4.773 -8.020 1.00 1.00 C ATOM 1231 CD1 TYR A 76 35.206 -3.723 -8.558 1.00 1.00 C ATOM 1232 CD2 TYR A 76 34.694 -6.108 -8.402 1.00 1.00 C ATOM 1233 CE1 TYR A 76 36.247 -4.007 -9.467 1.00 1.00 C ATOM 1234 CE2 TYR A 76 35.735 -6.391 -9.311 1.00 1.00 C ATOM 1235 CZ TYR A 76 36.514 -5.341 -9.844 1.00 1.00 C ATOM 1236 OH TYR A 76 37.521 -5.620 -10.722 1.00 1.00 O ATOM 0 H TYR A 76 31.921 -3.723 -9.779 1.00 1.00 H new ATOM 0 HA TYR A 76 31.201 -4.081 -7.041 1.00 1.00 H new ATOM 0 HB2 TYR A 76 33.674 -3.802 -6.270 1.00 1.00 H new ATOM 0 HB3 TYR A 76 33.009 -5.399 -6.546 1.00 1.00 H new ATOM 0 HD1 TYR A 76 35.004 -2.701 -8.272 1.00 1.00 H new ATOM 0 HD2 TYR A 76 34.100 -6.913 -7.996 1.00 1.00 H new ATOM 0 HE1 TYR A 76 36.841 -3.202 -9.875 1.00 1.00 H new ATOM 0 HE2 TYR A 76 35.936 -7.412 -9.600 1.00 1.00 H new ATOM 0 HH TYR A 76 37.567 -6.588 -10.870 1.00 1.00 H new ATOM 1246 N TRP A 77 31.334 -1.596 -7.001 1.00 1.00 N ATOM 1247 CA TRP A 77 31.344 -0.143 -7.010 1.00 1.00 C ATOM 1248 C TRP A 77 32.246 0.364 -5.884 1.00 1.00 C ATOM 1249 O TRP A 77 32.381 -0.341 -4.873 1.00 1.00 O ATOM 1250 CB TRP A 77 29.915 0.397 -6.920 1.00 1.00 C ATOM 1251 CG TRP A 77 28.920 -0.319 -7.836 1.00 1.00 C ATOM 1252 CD1 TRP A 77 29.109 -1.441 -8.543 1.00 1.00 C ATOM 1253 CD2 TRP A 77 27.564 0.088 -8.118 1.00 1.00 C ATOM 1254 NE1 TRP A 77 27.980 -1.786 -9.256 1.00 1.00 N ATOM 1255 CE2 TRP A 77 27.010 -0.827 -8.990 1.00 1.00 C ATOM 1256 CE3 TRP A 77 26.830 1.193 -7.651 1.00 1.00 C ATOM 1257 CZ2 TRP A 77 25.699 -0.731 -9.470 1.00 1.00 C ATOM 1258 CZ3 TRP A 77 25.521 1.275 -8.141 1.00 1.00 C ATOM 1259 CH2 TRP A 77 24.949 0.362 -9.019 1.00 1.00 C ATOM 0 H TRP A 77 30.651 -2.006 -6.364 1.00 1.00 H new ATOM 0 HA TRP A 77 31.755 0.227 -7.949 1.00 1.00 H new ATOM 0 HB2 TRP A 77 29.570 0.313 -5.889 1.00 1.00 H new ATOM 0 HB3 TRP A 77 29.922 1.458 -7.168 1.00 1.00 H new ATOM 0 HD1 TRP A 77 30.030 -2.005 -8.553 1.00 1.00 H new ATOM 0 HE1 TRP A 77 27.876 -2.596 -9.867 1.00 1.00 H new ATOM 0 HE3 TRP A 77 27.243 1.921 -6.968 1.00 1.00 H new ATOM 0 HZ2 TRP A 77 25.288 -1.461 -10.152 1.00 1.00 H new ATOM 0 HZ3 TRP A 77 24.913 2.106 -7.814 1.00 1.00 H new ATOM 0 HH2 TRP A 77 23.930 0.495 -9.352 1.00 1.00 H new ATOM 1270 N THR A 78 32.838 1.557 -6.077 1.00 1.00 N ATOM 1271 CA THR A 78 33.718 2.149 -5.084 1.00 1.00 C ATOM 1272 C THR A 78 33.177 3.523 -4.683 1.00 1.00 C ATOM 1273 O THR A 78 32.813 4.298 -5.580 1.00 1.00 O ATOM 1274 CB THR A 78 35.136 2.197 -5.656 1.00 1.00 C ATOM 1275 OG1 THR A 78 35.430 0.839 -5.972 1.00 1.00 O ATOM 1276 CG2 THR A 78 36.181 2.569 -4.601 1.00 1.00 C ATOM 0 H THR A 78 32.715 2.122 -6.917 1.00 1.00 H new ATOM 0 HA THR A 78 33.755 1.551 -4.173 1.00 1.00 H new ATOM 0 HB THR A 78 35.173 2.917 -6.473 1.00 1.00 H new ATOM 0 HG1 THR A 78 35.381 0.296 -5.158 1.00 1.00 H new ATOM 0 HG21 THR A 78 37.170 2.589 -5.059 1.00 1.00 H new ATOM 0 HG22 THR A 78 35.951 3.553 -4.192 1.00 1.00 H new ATOM 0 HG23 THR A 78 36.168 1.831 -3.799 1.00 1.00 H new ATOM 1284 N LEU A 79 33.135 3.793 -3.366 1.00 1.00 N ATOM 1285 CA LEU A 79 32.643 5.061 -2.856 1.00 1.00 C ATOM 1286 C LEU A 79 33.590 6.182 -3.288 1.00 1.00 C ATOM 1287 O LEU A 79 34.801 6.053 -3.058 1.00 1.00 O ATOM 1288 CB LEU A 79 32.432 4.984 -1.342 1.00 1.00 C ATOM 1289 CG LEU A 79 30.989 5.140 -0.857 1.00 1.00 C ATOM 1290 CD1 LEU A 79 30.314 3.777 -0.696 1.00 1.00 C ATOM 1291 CD2 LEU A 79 30.930 5.965 0.430 1.00 1.00 C ATOM 0 H LEU A 79 33.439 3.141 -2.643 1.00 1.00 H new ATOM 0 HA LEU A 79 31.665 5.288 -3.280 1.00 1.00 H new ATOM 0 HB2 LEU A 79 32.811 4.024 -0.991 1.00 1.00 H new ATOM 0 HB3 LEU A 79 33.038 5.758 -0.871 1.00 1.00 H new ATOM 0 HG LEU A 79 30.431 5.687 -1.616 1.00 1.00 H new ATOM 0 HD11 LEU A 79 29.290 3.917 -0.350 1.00 1.00 H new ATOM 0 HD12 LEU A 79 30.306 3.259 -1.655 1.00 1.00 H new ATOM 0 HD13 LEU A 79 30.865 3.182 0.033 1.00 1.00 H new ATOM 0 HD21 LEU A 79 29.894 6.061 0.753 1.00 1.00 H new ATOM 0 HD22 LEU A 79 31.508 5.467 1.208 1.00 1.00 H new ATOM 0 HD23 LEU A 79 31.346 6.956 0.247 1.00 1.00 H new ATOM 1303 N ASP A 80 33.029 7.243 -3.897 1.00 1.00 N ATOM 1304 CA ASP A 80 33.818 8.373 -4.355 1.00 1.00 C ATOM 1305 C ASP A 80 34.340 9.150 -3.145 1.00 1.00 C ATOM 1306 O ASP A 80 35.554 9.395 -3.081 1.00 1.00 O ATOM 1307 CB ASP A 80 32.973 9.328 -5.201 1.00 1.00 C ATOM 1308 CG ASP A 80 33.537 9.634 -6.589 1.00 1.00 C ATOM 1309 OD1 ASP A 80 34.721 9.390 -6.866 1.00 1.00 O ATOM 1310 OD2 ASP A 80 32.695 10.153 -7.418 1.00 1.00 O ATOM 0 H ASP A 80 32.029 7.330 -4.078 1.00 1.00 H new ATOM 0 HA ASP A 80 34.640 7.987 -4.958 1.00 1.00 H new ATOM 0 HB2 ASP A 80 31.976 8.902 -5.316 1.00 1.00 H new ATOM 0 HB3 ASP A 80 32.858 10.266 -4.657 1.00 1.00 H new