USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 836 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 93 LYS NZ :NH3+ -154:sc= 0.99 (180deg=-0.999) USER MOD Set 1.2: A 95 TYR OH : rot 175:sc= -0.0179 USER MOD Set 2.1: A 73 LYS NZ :NH3+ -170:sc= 0.755 (180deg=-0.0652) USER MOD Set 2.2: A 75 GLN : amide:sc= 0.0134 K(o=0.77,f=-8.8!) USER MOD Set 3.1: A 44 ASN : amide:sc= -3.72! C(o=-3.7!,f=-9.2!) USER MOD Set 3.2: A 55 SER OG : rot -119:sc= 0.061 USER MOD Set 4.1: A 36 SER OG : rot 118:sc= 0.989 USER MOD Set 4.2: A 38 GLN : amide:sc= 1.89 K(o=2.9,f=-8.8!) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0606) USER MOD Single : A 8 CYS SG : rot 3:sc= -0.434 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -54:sc= 1.27 USER MOD Single : A 20 CYS SG : rot 32:sc= 0.0271 USER MOD Single : A 27 GLN : amide:sc= -0.0135 X(o=-0.013,f=-0.35) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -0.288 K(o=-0.29,f=-0.81) USER MOD Single : A 43 SER OG : rot 94:sc= 1.25 USER MOD Single : A 51 SER OG : rot -116:sc= 0.564 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.0027) USER MOD Single : A 63 GLN : amide:sc= -5.46! K(o=-5.5!,f=-0.26) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -175:sc= 1.29 (180deg=1.28) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 CYS SG : rot 39:sc= 0.723 USER MOD Single : A 85 MET CE :methyl 158:sc= -0.148 (180deg=-0.715) USER MOD Single : A 89 GLN : amide:sc= -0.0217 K(o=-0.022,f=-0.56) USER MOD Single : A 91 SER OG : rot 130:sc= -0.848 USER MOD Single : A 94 HIS : no HD1:sc= -0.479 X(o=-0.48,f=-0.023) USER MOD Single : A 100 LYS NZ :NH3+ -167:sc= 0.664 (180deg=0.322) USER MOD Single : A 105 GLN : amide:sc= -2.75! C(o=-2.7!,f=-9.9!) USER MOD ----------------------------------------------------------------- ATOM 28 N GLN A 3 -16.074 5.377 7.285 1.00 0.00 N ATOM 29 CA GLN A 3 -16.350 5.641 5.880 1.00 0.00 C ATOM 30 C GLN A 3 -15.487 4.748 4.998 1.00 0.00 C ATOM 31 O GLN A 3 -14.335 5.071 4.704 1.00 0.00 O ATOM 32 CB GLN A 3 -16.109 7.115 5.530 1.00 0.00 C ATOM 33 CG GLN A 3 -17.213 8.048 6.002 1.00 0.00 C ATOM 34 CD GLN A 3 -16.946 9.502 5.657 1.00 0.00 C ATOM 35 OE1 GLN A 3 -17.303 9.972 4.576 1.00 0.00 O ATOM 36 NE2 GLN A 3 -16.343 10.232 6.582 1.00 0.00 N ATOM 0 HA GLN A 3 -17.401 5.418 5.698 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -15.164 7.433 5.971 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -16.004 7.209 4.449 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -18.158 7.741 5.553 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -17.327 7.951 7.082 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -16.062 9.806 7.465 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -16.159 11.221 6.412 1.00 0.00 H new ATOM 45 N TRP A 4 -16.037 3.607 4.613 1.00 0.00 N ATOM 46 CA TRP A 4 -15.344 2.689 3.724 1.00 0.00 C ATOM 47 C TRP A 4 -15.703 2.988 2.277 1.00 0.00 C ATOM 48 O TRP A 4 -16.872 2.928 1.889 1.00 0.00 O ATOM 49 CB TRP A 4 -15.690 1.237 4.062 1.00 0.00 C ATOM 50 CG TRP A 4 -15.048 0.745 5.326 1.00 0.00 C ATOM 51 CD1 TRP A 4 -15.583 0.761 6.582 1.00 0.00 C ATOM 52 CD2 TRP A 4 -13.747 0.162 5.452 1.00 0.00 C ATOM 53 NE1 TRP A 4 -14.691 0.222 7.480 1.00 0.00 N ATOM 54 CE2 TRP A 4 -13.559 -0.152 6.810 1.00 0.00 C ATOM 55 CE3 TRP A 4 -12.721 -0.124 4.549 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -12.389 -0.741 7.285 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -11.561 -0.708 5.021 1.00 0.00 C ATOM 58 CH2 TRP A 4 -11.403 -1.011 6.378 1.00 0.00 C ATOM 0 H TRP A 4 -16.964 3.294 4.903 1.00 0.00 H new ATOM 0 HA TRP A 4 -14.271 2.827 3.860 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -16.772 1.142 4.153 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -15.382 0.597 3.235 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -16.562 1.141 6.834 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -14.848 0.118 8.482 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -12.832 0.107 3.500 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -12.266 -0.976 8.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -10.762 -0.935 4.330 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -10.484 -1.467 6.715 1.00 0.00 H new ATOM 69 N LYS A 5 -14.699 3.330 1.488 1.00 0.00 N ATOM 70 CA LYS A 5 -14.906 3.636 0.082 1.00 0.00 C ATOM 71 C LYS A 5 -14.601 2.422 -0.783 1.00 0.00 C ATOM 72 O LYS A 5 -13.482 1.901 -0.761 1.00 0.00 O ATOM 73 CB LYS A 5 -14.030 4.820 -0.348 1.00 0.00 C ATOM 74 CG LYS A 5 -14.095 5.123 -1.840 1.00 0.00 C ATOM 75 CD LYS A 5 -13.303 6.370 -2.200 1.00 0.00 C ATOM 76 CE LYS A 5 -13.175 6.535 -3.709 1.00 0.00 C ATOM 77 NZ LYS A 5 -14.497 6.606 -4.389 1.00 0.00 N ATOM 0 H LYS A 5 -13.730 3.403 1.798 1.00 0.00 H new ATOM 0 HA LYS A 5 -15.953 3.907 -0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.336 5.707 0.207 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -12.996 4.613 -0.073 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -13.707 4.272 -2.400 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -15.135 5.254 -2.139 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -13.792 7.247 -1.777 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -12.310 6.313 -1.754 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -12.610 7.441 -3.925 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -12.605 5.699 -4.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -14.358 6.819 -5.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -14.986 5.693 -4.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -15.072 7.355 -3.953 1.00 0.00 H new ATOM 91 N ASP A 6 -15.605 1.963 -1.518 1.00 0.00 N ATOM 92 CA ASP A 6 -15.421 0.889 -2.487 1.00 0.00 C ATOM 93 C ASP A 6 -14.582 1.388 -3.655 1.00 0.00 C ATOM 94 O ASP A 6 -15.074 2.122 -4.515 1.00 0.00 O ATOM 95 CB ASP A 6 -16.770 0.382 -3.008 1.00 0.00 C ATOM 96 CG ASP A 6 -17.643 -0.207 -1.920 1.00 0.00 C ATOM 97 OD1 ASP A 6 -18.358 0.566 -1.247 1.00 0.00 O ATOM 98 OD2 ASP A 6 -17.633 -1.444 -1.738 1.00 0.00 O ATOM 0 H ASP A 6 -16.559 2.319 -1.462 1.00 0.00 H new ATOM 0 HA ASP A 6 -14.909 0.065 -1.990 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -17.301 1.205 -3.486 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -16.596 -0.373 -3.775 1.00 0.00 H new ATOM 103 N ILE A 7 -13.317 1.002 -3.671 1.00 0.00 N ATOM 104 CA ILE A 7 -12.390 1.451 -4.697 1.00 0.00 C ATOM 105 C ILE A 7 -12.664 0.743 -6.016 1.00 0.00 C ATOM 106 O ILE A 7 -13.270 1.300 -6.933 1.00 0.00 O ATOM 107 CB ILE A 7 -10.930 1.172 -4.287 1.00 0.00 C ATOM 108 CG1 ILE A 7 -10.614 1.803 -2.928 1.00 0.00 C ATOM 109 CG2 ILE A 7 -9.976 1.682 -5.356 1.00 0.00 C ATOM 110 CD1 ILE A 7 -10.780 3.306 -2.895 1.00 0.00 C ATOM 0 H ILE A 7 -12.906 0.374 -2.980 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.535 2.525 -4.815 1.00 0.00 H new ATOM 0 HB ILE A 7 -10.799 0.094 -4.193 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -11.263 1.359 -2.173 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.589 1.555 -2.653 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.949 1.479 -5.054 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.183 1.177 -6.300 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.111 2.756 -5.482 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.538 3.677 -1.899 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -10.111 3.762 -3.625 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.811 3.564 -3.137 1.00 0.00 H new ATOM 122 N CYS A 8 -12.205 -0.491 -6.087 1.00 0.00 N ATOM 123 CA CYS A 8 -12.355 -1.322 -7.263 1.00 0.00 C ATOM 124 C CYS A 8 -12.382 -2.770 -6.813 1.00 0.00 C ATOM 125 O CYS A 8 -12.232 -3.047 -5.627 1.00 0.00 O ATOM 126 CB CYS A 8 -11.196 -1.094 -8.245 1.00 0.00 C ATOM 127 SG CYS A 8 -11.033 0.613 -8.825 1.00 0.00 S ATOM 0 H CYS A 8 -11.712 -0.949 -5.320 1.00 0.00 H new ATOM 0 HA CYS A 8 -13.280 -1.066 -7.780 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.264 -1.392 -7.764 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.333 -1.747 -9.107 1.00 0.00 H new ATOM 0 HG CYS A 8 -11.916 1.359 -8.231 1.00 0.00 H new ATOM 133 N LYS A 9 -12.566 -3.687 -7.736 1.00 0.00 N ATOM 134 CA LYS A 9 -12.570 -5.096 -7.392 1.00 0.00 C ATOM 135 C LYS A 9 -11.145 -5.608 -7.251 1.00 0.00 C ATOM 136 O LYS A 9 -10.239 -5.147 -7.945 1.00 0.00 O ATOM 137 CB LYS A 9 -13.320 -5.893 -8.454 1.00 0.00 C ATOM 138 CG LYS A 9 -14.784 -5.506 -8.571 1.00 0.00 C ATOM 139 CD LYS A 9 -15.433 -6.159 -9.774 1.00 0.00 C ATOM 140 CE LYS A 9 -14.789 -5.687 -11.068 1.00 0.00 C ATOM 141 NZ LYS A 9 -15.382 -6.335 -12.265 1.00 0.00 N ATOM 0 H LYS A 9 -12.714 -3.487 -8.725 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.079 -5.223 -6.437 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.834 -5.747 -9.419 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.249 -6.955 -8.219 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.314 -5.801 -7.665 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.870 -4.422 -8.652 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -15.345 -7.243 -9.695 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -16.498 -5.926 -9.788 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.899 -4.606 -11.152 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.720 -5.897 -11.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -14.910 -5.981 -13.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -15.255 -7.365 -12.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -16.397 -6.114 -12.313 1.00 0.00 H new ATOM 155 N ILE A 10 -10.949 -6.564 -6.352 1.00 0.00 N ATOM 156 CA ILE A 10 -9.635 -7.158 -6.136 1.00 0.00 C ATOM 157 C ILE A 10 -9.214 -7.955 -7.371 1.00 0.00 C ATOM 158 O ILE A 10 -8.051 -8.311 -7.542 1.00 0.00 O ATOM 159 CB ILE A 10 -9.626 -8.061 -4.879 1.00 0.00 C ATOM 160 CG1 ILE A 10 -8.195 -8.470 -4.523 1.00 0.00 C ATOM 161 CG2 ILE A 10 -10.498 -9.294 -5.092 1.00 0.00 C ATOM 162 CD1 ILE A 10 -8.084 -9.180 -3.193 1.00 0.00 C ATOM 0 H ILE A 10 -11.686 -6.946 -5.759 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.919 -6.353 -5.970 1.00 0.00 H new ATOM 0 HB ILE A 10 -10.040 -7.491 -4.047 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -7.806 -9.120 -5.307 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -7.565 -7.581 -4.505 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -10.477 -9.914 -4.196 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -11.523 -8.984 -5.294 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -10.118 -9.866 -5.938 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -7.042 -9.440 -3.005 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -8.443 -8.524 -2.400 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -8.687 -10.088 -3.214 1.00 0.00 H new ATOM 174 N ASP A 11 -10.189 -8.195 -8.241 1.00 0.00 N ATOM 175 CA ASP A 11 -9.966 -8.842 -9.529 1.00 0.00 C ATOM 176 C ASP A 11 -9.049 -7.989 -10.413 1.00 0.00 C ATOM 177 O ASP A 11 -8.459 -8.474 -11.379 1.00 0.00 O ATOM 178 CB ASP A 11 -11.320 -9.068 -10.218 1.00 0.00 C ATOM 179 CG ASP A 11 -11.200 -9.740 -11.571 1.00 0.00 C ATOM 180 OD1 ASP A 11 -10.862 -10.938 -11.615 1.00 0.00 O ATOM 181 OD2 ASP A 11 -11.467 -9.080 -12.594 1.00 0.00 O ATOM 0 H ASP A 11 -11.163 -7.944 -8.071 1.00 0.00 H new ATOM 0 HA ASP A 11 -9.475 -9.802 -9.369 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.951 -9.678 -9.572 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -11.822 -8.108 -10.340 1.00 0.00 H new ATOM 186 N ASP A 12 -8.925 -6.711 -10.062 1.00 0.00 N ATOM 187 CA ASP A 12 -8.088 -5.779 -10.811 1.00 0.00 C ATOM 188 C ASP A 12 -6.644 -5.835 -10.308 1.00 0.00 C ATOM 189 O ASP A 12 -5.737 -5.254 -10.904 1.00 0.00 O ATOM 190 CB ASP A 12 -8.645 -4.357 -10.675 1.00 0.00 C ATOM 191 CG ASP A 12 -8.062 -3.386 -11.684 1.00 0.00 C ATOM 192 OD1 ASP A 12 -8.460 -3.448 -12.869 1.00 0.00 O ATOM 193 OD2 ASP A 12 -7.221 -2.546 -11.303 1.00 0.00 O ATOM 0 H ASP A 12 -9.397 -6.296 -9.259 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.096 -6.064 -11.863 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.728 -4.386 -10.792 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.443 -3.990 -9.669 1.00 0.00 H new ATOM 198 N ILE A 13 -6.436 -6.564 -9.218 1.00 0.00 N ATOM 199 CA ILE A 13 -5.123 -6.662 -8.599 1.00 0.00 C ATOM 200 C ILE A 13 -4.591 -8.090 -8.708 1.00 0.00 C ATOM 201 O ILE A 13 -5.313 -9.049 -8.449 1.00 0.00 O ATOM 202 CB ILE A 13 -5.175 -6.253 -7.109 1.00 0.00 C ATOM 203 CG1 ILE A 13 -5.927 -4.929 -6.939 1.00 0.00 C ATOM 204 CG2 ILE A 13 -3.768 -6.134 -6.542 1.00 0.00 C ATOM 205 CD1 ILE A 13 -6.127 -4.524 -5.494 1.00 0.00 C ATOM 0 H ILE A 13 -7.165 -7.098 -8.744 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.457 -5.980 -9.128 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.710 -7.028 -6.560 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.379 -4.141 -7.455 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.901 -5.010 -7.423 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.822 -5.845 -5.492 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.258 -7.094 -6.629 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.214 -5.378 -7.098 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.666 -3.578 -5.453 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.702 -5.292 -4.977 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.157 -4.410 -5.010 1.00 0.00 H new ATOM 217 N LEU A 14 -3.326 -8.228 -9.084 1.00 0.00 N ATOM 218 CA LEU A 14 -2.714 -9.544 -9.258 1.00 0.00 C ATOM 219 C LEU A 14 -1.915 -9.936 -8.010 1.00 0.00 C ATOM 220 O LEU A 14 -1.709 -9.109 -7.120 1.00 0.00 O ATOM 221 CB LEU A 14 -1.801 -9.532 -10.491 1.00 0.00 C ATOM 222 CG LEU A 14 -2.501 -9.247 -11.822 1.00 0.00 C ATOM 223 CD1 LEU A 14 -1.497 -9.253 -12.963 1.00 0.00 C ATOM 224 CD2 LEU A 14 -3.603 -10.265 -12.077 1.00 0.00 C ATOM 0 H LEU A 14 -2.701 -7.445 -9.275 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.503 -10.282 -9.405 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.025 -8.782 -10.340 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.301 -10.498 -10.562 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.955 -8.257 -11.766 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.012 -9.049 -13.902 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.743 -8.486 -12.788 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.015 -10.229 -13.018 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.088 -10.045 -13.028 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.173 -11.266 -12.112 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.338 -10.214 -11.274 1.00 0.00 H new ATOM 236 N PRO A 15 -1.473 -11.203 -7.909 1.00 0.00 N ATOM 237 CA PRO A 15 -0.617 -11.649 -6.804 1.00 0.00 C ATOM 238 C PRO A 15 0.689 -10.855 -6.722 1.00 0.00 C ATOM 239 O PRO A 15 1.395 -10.693 -7.724 1.00 0.00 O ATOM 240 CB PRO A 15 -0.327 -13.118 -7.134 1.00 0.00 C ATOM 241 CG PRO A 15 -1.429 -13.534 -8.043 1.00 0.00 C ATOM 242 CD PRO A 15 -1.795 -12.309 -8.831 1.00 0.00 C ATOM 0 HA PRO A 15 -1.102 -11.506 -5.838 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.645 -13.230 -7.615 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.308 -13.729 -6.231 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.109 -14.341 -8.702 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.284 -13.905 -7.477 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.223 -12.240 -9.756 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.849 -12.308 -9.107 1.00 0.00 H new ATOM 250 N GLU A 16 0.991 -10.370 -5.520 1.00 0.00 N ATOM 251 CA GLU A 16 2.219 -9.625 -5.239 1.00 0.00 C ATOM 252 C GLU A 16 2.353 -8.396 -6.136 1.00 0.00 C ATOM 253 O GLU A 16 3.378 -8.195 -6.793 1.00 0.00 O ATOM 254 CB GLU A 16 3.459 -10.522 -5.372 1.00 0.00 C ATOM 255 CG GLU A 16 3.519 -11.660 -4.358 1.00 0.00 C ATOM 256 CD GLU A 16 2.616 -12.823 -4.719 1.00 0.00 C ATOM 257 OE1 GLU A 16 3.040 -13.669 -5.537 1.00 0.00 O ATOM 258 OE2 GLU A 16 1.486 -12.900 -4.189 1.00 0.00 O ATOM 0 H GLU A 16 0.387 -10.483 -4.706 1.00 0.00 H new ATOM 0 HA GLU A 16 2.152 -9.281 -4.207 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.482 -10.944 -6.377 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.352 -9.907 -5.264 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.546 -12.016 -4.280 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.237 -11.280 -3.376 1.00 0.00 H new ATOM 265 N THR A 17 1.319 -7.564 -6.152 1.00 0.00 N ATOM 266 CA THR A 17 1.337 -6.352 -6.965 1.00 0.00 C ATOM 267 C THR A 17 0.797 -5.166 -6.176 1.00 0.00 C ATOM 268 O THR A 17 0.330 -5.323 -5.045 1.00 0.00 O ATOM 269 CB THR A 17 0.515 -6.500 -8.266 1.00 0.00 C ATOM 270 OG1 THR A 17 -0.846 -6.824 -7.965 1.00 0.00 O ATOM 271 CG2 THR A 17 1.105 -7.566 -9.175 1.00 0.00 C ATOM 0 H THR A 17 0.463 -7.704 -5.616 1.00 0.00 H new ATOM 0 HA THR A 17 2.379 -6.181 -7.236 1.00 0.00 H new ATOM 0 HB THR A 17 0.551 -5.544 -8.788 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.874 -7.620 -7.393 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.504 -7.645 -10.081 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.127 -7.293 -9.440 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.108 -8.525 -8.657 1.00 0.00 H new ATOM 279 N GLY A 18 0.860 -3.987 -6.776 1.00 0.00 N ATOM 280 CA GLY A 18 0.337 -2.802 -6.137 1.00 0.00 C ATOM 281 C GLY A 18 -0.352 -1.899 -7.133 1.00 0.00 C ATOM 282 O GLY A 18 0.150 -1.697 -8.238 1.00 0.00 O ATOM 0 H GLY A 18 1.266 -3.831 -7.699 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.367 -3.088 -5.355 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.149 -2.260 -5.652 1.00 0.00 H new ATOM 286 N VAL A 19 -1.498 -1.363 -6.755 1.00 0.00 N ATOM 287 CA VAL A 19 -2.264 -0.491 -7.639 1.00 0.00 C ATOM 288 C VAL A 19 -2.411 0.899 -7.034 1.00 0.00 C ATOM 289 O VAL A 19 -1.948 1.152 -5.918 1.00 0.00 O ATOM 290 CB VAL A 19 -3.665 -1.066 -7.946 1.00 0.00 C ATOM 291 CG1 VAL A 19 -3.553 -2.384 -8.697 1.00 0.00 C ATOM 292 CG2 VAL A 19 -4.469 -1.245 -6.666 1.00 0.00 C ATOM 0 H VAL A 19 -1.923 -1.514 -5.840 1.00 0.00 H new ATOM 0 HA VAL A 19 -1.708 -0.425 -8.574 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.191 -0.354 -8.581 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.551 -2.771 -8.903 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.025 -2.223 -9.637 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.003 -3.103 -8.090 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.451 -1.651 -6.907 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.946 -1.932 -6.001 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.586 -0.280 -6.172 1.00 0.00 H new ATOM 302 N CYS A 20 -3.053 1.795 -7.770 1.00 0.00 N ATOM 303 CA CYS A 20 -3.245 3.163 -7.317 1.00 0.00 C ATOM 304 C CYS A 20 -4.729 3.509 -7.259 1.00 0.00 C ATOM 305 O CYS A 20 -5.461 3.315 -8.230 1.00 0.00 O ATOM 306 CB CYS A 20 -2.513 4.132 -8.250 1.00 0.00 C ATOM 307 SG CYS A 20 -2.995 3.989 -9.988 1.00 0.00 S ATOM 0 H CYS A 20 -3.451 1.596 -8.688 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.832 3.256 -6.313 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.699 5.152 -7.915 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -1.440 3.960 -8.166 1.00 0.00 H new ATOM 0 HG CYS A 20 -4.245 3.640 -10.064 1.00 0.00 H new ATOM 313 N ALA A 21 -5.166 4.003 -6.112 1.00 0.00 N ATOM 314 CA ALA A 21 -6.553 4.398 -5.922 1.00 0.00 C ATOM 315 C ALA A 21 -6.636 5.843 -5.459 1.00 0.00 C ATOM 316 O ALA A 21 -5.615 6.445 -5.122 1.00 0.00 O ATOM 317 CB ALA A 21 -7.217 3.491 -4.904 1.00 0.00 C ATOM 0 H ALA A 21 -4.575 4.141 -5.292 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.073 4.306 -6.876 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.255 3.795 -4.769 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.184 2.461 -5.258 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.690 3.565 -3.953 1.00 0.00 H new ATOM 323 N LEU A 22 -7.838 6.394 -5.432 1.00 0.00 N ATOM 324 CA LEU A 22 -8.042 7.745 -4.926 1.00 0.00 C ATOM 325 C LEU A 22 -8.837 7.716 -3.627 1.00 0.00 C ATOM 326 O LEU A 22 -9.957 7.206 -3.583 1.00 0.00 O ATOM 327 CB LEU A 22 -8.768 8.618 -5.954 1.00 0.00 C ATOM 328 CG LEU A 22 -7.954 8.993 -7.194 1.00 0.00 C ATOM 329 CD1 LEU A 22 -8.782 9.865 -8.123 1.00 0.00 C ATOM 330 CD2 LEU A 22 -6.674 9.713 -6.795 1.00 0.00 C ATOM 0 H LEU A 22 -8.687 5.929 -5.753 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.059 8.177 -4.736 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.669 8.096 -6.277 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.091 9.535 -5.462 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.685 8.077 -7.721 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.191 10.125 -9.001 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.674 9.321 -8.434 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.076 10.776 -7.601 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.108 9.972 -7.690 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.923 10.622 -6.248 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.072 9.061 -6.161 1.00 0.00 H new ATOM 342 N LEU A 23 -8.248 8.254 -2.572 1.00 0.00 N ATOM 343 CA LEU A 23 -8.935 8.373 -1.298 1.00 0.00 C ATOM 344 C LEU A 23 -8.918 9.829 -0.865 1.00 0.00 C ATOM 345 O LEU A 23 -7.862 10.388 -0.562 1.00 0.00 O ATOM 346 CB LEU A 23 -8.281 7.467 -0.241 1.00 0.00 C ATOM 347 CG LEU A 23 -9.092 7.239 1.047 1.00 0.00 C ATOM 348 CD1 LEU A 23 -8.592 5.998 1.768 1.00 0.00 C ATOM 349 CD2 LEU A 23 -9.006 8.443 1.978 1.00 0.00 C ATOM 0 H LEU A 23 -7.294 8.616 -2.573 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.969 8.046 -1.406 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -8.080 6.497 -0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.317 7.897 0.031 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.135 7.100 0.763 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.173 5.847 2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.703 5.130 1.118 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.541 6.126 2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.590 8.249 2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.965 8.618 2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.401 9.323 1.472 1.00 0.00 H new ATOM 361 N GLY A 24 -10.090 10.445 -0.867 1.00 0.00 N ATOM 362 CA GLY A 24 -10.187 11.849 -0.544 1.00 0.00 C ATOM 363 C GLY A 24 -9.653 12.716 -1.663 1.00 0.00 C ATOM 364 O GLY A 24 -10.363 13.003 -2.627 1.00 0.00 O ATOM 0 H GLY A 24 -10.978 9.994 -1.088 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.228 12.107 -0.348 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.631 12.052 0.371 1.00 0.00 H new ATOM 368 N ASP A 25 -8.398 13.119 -1.543 1.00 0.00 N ATOM 369 CA ASP A 25 -7.767 13.954 -2.557 1.00 0.00 C ATOM 370 C ASP A 25 -6.418 13.391 -2.999 1.00 0.00 C ATOM 371 O ASP A 25 -5.805 13.910 -3.932 1.00 0.00 O ATOM 372 CB ASP A 25 -7.593 15.389 -2.041 1.00 0.00 C ATOM 373 CG ASP A 25 -6.663 15.481 -0.842 1.00 0.00 C ATOM 374 OD1 ASP A 25 -7.136 15.297 0.302 1.00 0.00 O ATOM 375 OD2 ASP A 25 -5.462 15.759 -1.035 1.00 0.00 O ATOM 0 H ASP A 25 -7.795 12.883 -0.755 1.00 0.00 H new ATOM 0 HA ASP A 25 -8.426 13.962 -3.425 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.203 16.013 -2.845 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.568 15.792 -1.769 1.00 0.00 H new ATOM 380 N GLU A 26 -5.951 12.330 -2.349 1.00 0.00 N ATOM 381 CA GLU A 26 -4.625 11.803 -2.654 1.00 0.00 C ATOM 382 C GLU A 26 -4.693 10.408 -3.255 1.00 0.00 C ATOM 383 O GLU A 26 -5.726 9.734 -3.191 1.00 0.00 O ATOM 384 CB GLU A 26 -3.741 11.781 -1.403 1.00 0.00 C ATOM 385 CG GLU A 26 -4.222 10.844 -0.308 1.00 0.00 C ATOM 386 CD GLU A 26 -3.279 10.821 0.879 1.00 0.00 C ATOM 387 OE1 GLU A 26 -3.268 11.801 1.653 1.00 0.00 O ATOM 388 OE2 GLU A 26 -2.559 9.813 1.055 1.00 0.00 O ATOM 0 H GLU A 26 -6.459 11.826 -1.622 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.184 12.472 -3.393 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.731 11.493 -1.693 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.680 12.791 -0.998 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.213 11.153 0.023 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.321 9.836 -0.711 1.00 0.00 H new ATOM 395 N GLN A 27 -3.582 9.985 -3.846 1.00 0.00 N ATOM 396 CA GLN A 27 -3.457 8.635 -4.358 1.00 0.00 C ATOM 397 C GLN A 27 -2.979 7.704 -3.257 1.00 0.00 C ATOM 398 O GLN A 27 -2.048 8.020 -2.516 1.00 0.00 O ATOM 399 CB GLN A 27 -2.495 8.565 -5.548 1.00 0.00 C ATOM 400 CG GLN A 27 -3.063 9.134 -6.836 1.00 0.00 C ATOM 401 CD GLN A 27 -2.330 8.624 -8.063 1.00 0.00 C ATOM 402 OE1 GLN A 27 -2.684 7.585 -8.621 1.00 0.00 O ATOM 403 NE2 GLN A 27 -1.311 9.347 -8.499 1.00 0.00 N ATOM 0 H GLN A 27 -2.753 10.564 -3.981 1.00 0.00 H new ATOM 0 HA GLN A 27 -4.442 8.321 -4.704 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.582 9.105 -5.296 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.215 7.525 -5.715 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.119 8.873 -6.911 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.005 10.222 -6.807 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.047 10.203 -8.011 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -0.790 9.049 -9.324 1.00 0.00 H new ATOM 412 N VAL A 28 -3.624 6.562 -3.159 1.00 0.00 N ATOM 413 CA VAL A 28 -3.289 5.562 -2.167 1.00 0.00 C ATOM 414 C VAL A 28 -2.851 4.280 -2.862 1.00 0.00 C ATOM 415 O VAL A 28 -3.508 3.814 -3.797 1.00 0.00 O ATOM 416 CB VAL A 28 -4.491 5.279 -1.240 1.00 0.00 C ATOM 417 CG1 VAL A 28 -4.150 4.222 -0.193 1.00 0.00 C ATOM 418 CG2 VAL A 28 -4.956 6.568 -0.574 1.00 0.00 C ATOM 0 H VAL A 28 -4.399 6.299 -3.768 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.471 5.941 -1.554 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.304 4.886 -1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.018 4.047 0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.871 3.293 -0.691 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.317 4.570 0.418 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.804 6.356 0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.141 6.987 0.016 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.256 7.285 -1.338 1.00 0.00 H new ATOM 428 N ALA A 29 -1.731 3.734 -2.421 1.00 0.00 N ATOM 429 CA ALA A 29 -1.172 2.537 -3.014 1.00 0.00 C ATOM 430 C ALA A 29 -1.729 1.303 -2.330 1.00 0.00 C ATOM 431 O ALA A 29 -1.549 1.112 -1.126 1.00 0.00 O ATOM 432 CB ALA A 29 0.345 2.555 -2.921 1.00 0.00 C ATOM 0 H ALA A 29 -1.187 4.109 -1.644 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.452 2.509 -4.067 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.748 1.648 -3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.732 3.426 -3.450 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.645 2.604 -1.874 1.00 0.00 H new ATOM 438 N ILE A 30 -2.411 0.476 -3.099 1.00 0.00 N ATOM 439 CA ILE A 30 -3.008 -0.733 -2.567 1.00 0.00 C ATOM 440 C ILE A 30 -2.179 -1.938 -2.984 1.00 0.00 C ATOM 441 O ILE A 30 -2.149 -2.309 -4.159 1.00 0.00 O ATOM 442 CB ILE A 30 -4.466 -0.905 -3.047 1.00 0.00 C ATOM 443 CG1 ILE A 30 -5.286 0.343 -2.693 1.00 0.00 C ATOM 444 CG2 ILE A 30 -5.086 -2.151 -2.423 1.00 0.00 C ATOM 445 CD1 ILE A 30 -6.704 0.318 -3.224 1.00 0.00 C ATOM 0 H ILE A 30 -2.565 0.620 -4.097 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.023 -0.654 -1.480 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.470 -1.028 -4.130 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.317 0.450 -1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.777 1.223 -3.086 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.113 -2.259 -2.770 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.510 -3.029 -2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.078 -2.056 -1.337 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.218 1.234 -2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.684 0.244 -4.311 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.232 -0.542 -2.811 1.00 0.00 H new ATOM 457 N PHE A 31 -1.486 -2.524 -2.022 1.00 0.00 N ATOM 458 CA PHE A 31 -0.603 -3.642 -2.294 1.00 0.00 C ATOM 459 C PHE A 31 -1.250 -4.955 -1.895 1.00 0.00 C ATOM 460 O PHE A 31 -1.796 -5.085 -0.798 1.00 0.00 O ATOM 461 CB PHE A 31 0.722 -3.478 -1.548 1.00 0.00 C ATOM 462 CG PHE A 31 1.543 -2.308 -2.011 1.00 0.00 C ATOM 463 CD1 PHE A 31 2.269 -2.379 -3.189 1.00 0.00 C ATOM 464 CD2 PHE A 31 1.595 -1.141 -1.265 1.00 0.00 C ATOM 465 CE1 PHE A 31 3.029 -1.308 -3.616 1.00 0.00 C ATOM 466 CE2 PHE A 31 2.353 -0.068 -1.687 1.00 0.00 C ATOM 467 CZ PHE A 31 3.071 -0.151 -2.864 1.00 0.00 C ATOM 0 H PHE A 31 -1.519 -2.241 -1.042 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.410 -3.656 -3.367 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.516 -3.366 -0.483 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.308 -4.389 -1.665 1.00 0.00 H new ATOM 0 HD1 PHE A 31 2.240 -3.282 -3.780 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.036 -1.071 -0.343 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.590 -1.375 -4.537 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.385 0.836 -1.097 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.665 0.688 -3.196 1.00 0.00 H new ATOM 477 N ARG A 32 -1.184 -5.920 -2.793 1.00 0.00 N ATOM 478 CA ARG A 32 -1.667 -7.259 -2.522 1.00 0.00 C ATOM 479 C ARG A 32 -0.473 -8.201 -2.446 1.00 0.00 C ATOM 480 O ARG A 32 0.078 -8.592 -3.477 1.00 0.00 O ATOM 481 CB ARG A 32 -2.640 -7.705 -3.616 1.00 0.00 C ATOM 482 CG ARG A 32 -3.273 -9.065 -3.375 1.00 0.00 C ATOM 483 CD ARG A 32 -4.222 -9.439 -4.503 1.00 0.00 C ATOM 484 NE ARG A 32 -4.872 -10.730 -4.279 1.00 0.00 N ATOM 485 CZ ARG A 32 -5.455 -11.449 -5.240 1.00 0.00 C ATOM 486 NH1 ARG A 32 -5.497 -11.001 -6.488 1.00 0.00 N ATOM 487 NH2 ARG A 32 -6.010 -12.616 -4.949 1.00 0.00 N ATOM 0 H ARG A 32 -0.795 -5.797 -3.728 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.203 -7.275 -1.573 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.431 -6.961 -3.708 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.111 -7.727 -4.569 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.493 -9.821 -3.287 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.815 -9.054 -2.429 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.983 -8.665 -4.606 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.671 -9.471 -5.443 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.880 -11.104 -3.330 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.081 -10.099 -6.720 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.945 -11.559 -7.215 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.992 -12.965 -3.991 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.456 -13.166 -5.683 1.00 0.00 H new ATOM 501 N PRO A 33 -0.037 -8.533 -1.219 1.00 0.00 N ATOM 502 CA PRO A 33 1.128 -9.380 -0.974 1.00 0.00 C ATOM 503 C PRO A 33 0.771 -10.847 -0.759 1.00 0.00 C ATOM 504 O PRO A 33 1.639 -11.682 -0.490 1.00 0.00 O ATOM 505 CB PRO A 33 1.685 -8.775 0.311 1.00 0.00 C ATOM 506 CG PRO A 33 0.490 -8.252 1.052 1.00 0.00 C ATOM 507 CD PRO A 33 -0.625 -8.068 0.046 1.00 0.00 C ATOM 0 HA PRO A 33 1.818 -9.395 -1.818 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.217 -9.523 0.900 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.394 -7.976 0.095 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.189 -8.949 1.834 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.725 -7.306 1.540 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.506 -8.650 0.315 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.938 -7.026 -0.018 1.00 0.00 H new ATOM 515 N TYR A 34 -0.509 -11.153 -0.856 1.00 0.00 N ATOM 516 CA TYR A 34 -0.978 -12.515 -0.695 1.00 0.00 C ATOM 517 C TYR A 34 -1.663 -12.982 -1.967 1.00 0.00 C ATOM 518 O TYR A 34 -2.092 -12.167 -2.786 1.00 0.00 O ATOM 519 CB TYR A 34 -1.959 -12.622 0.476 1.00 0.00 C ATOM 520 CG TYR A 34 -1.346 -12.388 1.839 1.00 0.00 C ATOM 521 CD1 TYR A 34 -0.740 -13.425 2.537 1.00 0.00 C ATOM 522 CD2 TYR A 34 -1.392 -11.136 2.436 1.00 0.00 C ATOM 523 CE1 TYR A 34 -0.196 -13.219 3.791 1.00 0.00 C ATOM 524 CE2 TYR A 34 -0.854 -10.921 3.690 1.00 0.00 C ATOM 525 CZ TYR A 34 -0.256 -11.965 4.363 1.00 0.00 C ATOM 526 OH TYR A 34 0.279 -11.756 5.615 1.00 0.00 O ATOM 0 H TYR A 34 -1.245 -10.473 -1.046 1.00 0.00 H new ATOM 0 HA TYR A 34 -0.114 -13.147 -0.488 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.763 -11.901 0.326 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -2.413 -13.613 0.462 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.693 -14.408 2.093 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -1.857 -10.315 1.911 1.00 0.00 H new ATOM 0 HE1 TYR A 34 0.273 -14.035 4.320 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -0.902 -9.941 4.141 1.00 0.00 H new ATOM 0 HH TYR A 34 0.155 -10.818 5.871 1.00 0.00 H new ATOM 536 N HIS A 35 -1.768 -14.291 -2.131 1.00 0.00 N ATOM 537 CA HIS A 35 -2.527 -14.856 -3.238 1.00 0.00 C ATOM 538 C HIS A 35 -4.012 -14.805 -2.893 1.00 0.00 C ATOM 539 O HIS A 35 -4.877 -15.004 -3.745 1.00 0.00 O ATOM 540 CB HIS A 35 -2.114 -16.307 -3.512 1.00 0.00 C ATOM 541 CG HIS A 35 -0.648 -16.517 -3.769 1.00 0.00 C ATOM 542 ND1 HIS A 35 0.233 -15.506 -4.094 1.00 0.00 N ATOM 543 CD2 HIS A 35 0.091 -17.650 -3.725 1.00 0.00 C ATOM 544 CE1 HIS A 35 1.443 -16.013 -4.240 1.00 0.00 C ATOM 545 NE2 HIS A 35 1.386 -17.310 -4.018 1.00 0.00 N ATOM 0 H HIS A 35 -1.339 -14.981 -1.515 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.324 -14.272 -4.136 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -2.408 -16.919 -2.659 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.673 -16.671 -4.374 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -0.012 -14.522 -4.204 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.273 -18.641 -3.500 1.00 0.00 H new ATOM 0 HE1 HIS A 35 2.332 -15.457 -4.499 1.00 0.00 H new ATOM 554 N SER A 36 -4.283 -14.531 -1.624 1.00 0.00 N ATOM 555 CA SER A 36 -5.636 -14.450 -1.107 1.00 0.00 C ATOM 556 C SER A 36 -6.164 -13.010 -1.169 1.00 0.00 C ATOM 557 O SER A 36 -5.708 -12.211 -1.992 1.00 0.00 O ATOM 558 CB SER A 36 -5.638 -14.974 0.327 1.00 0.00 C ATOM 559 OG SER A 36 -4.562 -14.425 1.066 1.00 0.00 O ATOM 0 H SER A 36 -3.563 -14.358 -0.922 1.00 0.00 H new ATOM 0 HA SER A 36 -6.300 -15.059 -1.720 1.00 0.00 H new ATOM 0 HB2 SER A 36 -6.582 -14.722 0.810 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.563 -16.061 0.321 1.00 0.00 H new ATOM 0 HG SER A 36 -4.914 -13.899 1.814 1.00 0.00 H new ATOM 565 N ASP A 37 -7.123 -12.687 -0.301 1.00 0.00 N ATOM 566 CA ASP A 37 -7.795 -11.384 -0.331 1.00 0.00 C ATOM 567 C ASP A 37 -7.016 -10.305 0.420 1.00 0.00 C ATOM 568 O ASP A 37 -7.180 -9.120 0.143 1.00 0.00 O ATOM 569 CB ASP A 37 -9.202 -11.486 0.274 1.00 0.00 C ATOM 570 CG ASP A 37 -10.167 -12.296 -0.569 1.00 0.00 C ATOM 571 OD1 ASP A 37 -10.187 -13.539 -0.432 1.00 0.00 O ATOM 572 OD2 ASP A 37 -10.936 -11.694 -1.351 1.00 0.00 O ATOM 0 H ASP A 37 -7.454 -13.311 0.435 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.855 -11.096 -1.380 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.131 -11.936 1.264 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.604 -10.482 0.409 1.00 0.00 H new ATOM 577 N GLN A 38 -6.181 -10.712 1.370 1.00 0.00 N ATOM 578 CA GLN A 38 -5.499 -9.762 2.257 1.00 0.00 C ATOM 579 C GLN A 38 -4.662 -8.739 1.487 1.00 0.00 C ATOM 580 O GLN A 38 -3.763 -9.095 0.721 1.00 0.00 O ATOM 581 CB GLN A 38 -4.622 -10.494 3.281 1.00 0.00 C ATOM 582 CG GLN A 38 -5.409 -11.211 4.371 1.00 0.00 C ATOM 583 CD GLN A 38 -5.801 -12.632 4.006 1.00 0.00 C ATOM 584 OE1 GLN A 38 -5.975 -12.970 2.836 1.00 0.00 O ATOM 585 NE2 GLN A 38 -5.951 -13.473 5.014 1.00 0.00 N ATOM 0 H GLN A 38 -5.957 -11.691 1.550 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.282 -9.217 2.784 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.000 -11.221 2.758 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.948 -9.775 3.747 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.813 -11.231 5.284 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.311 -10.640 4.591 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.798 -13.155 5.971 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.220 -14.440 4.835 1.00 0.00 H new ATOM 594 N VAL A 39 -4.968 -7.464 1.718 1.00 0.00 N ATOM 595 CA VAL A 39 -4.279 -6.354 1.067 1.00 0.00 C ATOM 596 C VAL A 39 -3.988 -5.245 2.076 1.00 0.00 C ATOM 597 O VAL A 39 -4.590 -5.203 3.153 1.00 0.00 O ATOM 598 CB VAL A 39 -5.108 -5.758 -0.098 1.00 0.00 C ATOM 599 CG1 VAL A 39 -5.268 -6.764 -1.226 1.00 0.00 C ATOM 600 CG2 VAL A 39 -6.471 -5.285 0.391 1.00 0.00 C ATOM 0 H VAL A 39 -5.702 -7.172 2.363 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.349 -6.753 0.663 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.564 -4.896 -0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.854 -6.319 -2.030 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.285 -7.045 -1.605 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.780 -7.651 -0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.034 -4.871 -0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.018 -6.127 0.815 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.338 -4.518 1.154 1.00 0.00 H new ATOM 610 N PHE A 40 -3.069 -4.353 1.728 1.00 0.00 N ATOM 611 CA PHE A 40 -2.713 -3.232 2.593 1.00 0.00 C ATOM 612 C PHE A 40 -2.644 -1.941 1.782 1.00 0.00 C ATOM 613 O PHE A 40 -2.375 -1.977 0.581 1.00 0.00 O ATOM 614 CB PHE A 40 -1.373 -3.488 3.290 1.00 0.00 C ATOM 615 CG PHE A 40 -1.395 -4.653 4.241 1.00 0.00 C ATOM 616 CD1 PHE A 40 -1.882 -4.500 5.530 1.00 0.00 C ATOM 617 CD2 PHE A 40 -0.928 -5.897 3.848 1.00 0.00 C ATOM 618 CE1 PHE A 40 -1.903 -5.566 6.408 1.00 0.00 C ATOM 619 CE2 PHE A 40 -0.945 -6.966 4.723 1.00 0.00 C ATOM 620 CZ PHE A 40 -1.433 -6.801 6.005 1.00 0.00 C ATOM 0 H PHE A 40 -2.554 -4.384 0.848 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.484 -3.130 3.356 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.608 -3.663 2.533 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.081 -2.591 3.836 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.249 -3.536 5.851 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.547 -6.032 2.847 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -2.287 -5.434 7.409 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.577 -7.930 4.405 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.447 -7.635 6.690 1.00 0.00 H new ATOM 630 N ALA A 41 -2.883 -0.806 2.434 1.00 0.00 N ATOM 631 CA ALA A 41 -2.907 0.475 1.743 1.00 0.00 C ATOM 632 C ALA A 41 -2.103 1.536 2.487 1.00 0.00 C ATOM 633 O ALA A 41 -2.282 1.748 3.690 1.00 0.00 O ATOM 634 CB ALA A 41 -4.339 0.951 1.559 1.00 0.00 C ATOM 0 H ALA A 41 -3.062 -0.750 3.437 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.445 0.326 0.767 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.340 1.910 1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.893 0.220 0.970 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.813 1.065 2.534 1.00 0.00 H new ATOM 640 N ILE A 42 -1.217 2.191 1.755 1.00 0.00 N ATOM 641 CA ILE A 42 -0.469 3.335 2.262 1.00 0.00 C ATOM 642 C ILE A 42 -0.537 4.455 1.233 1.00 0.00 C ATOM 643 O ILE A 42 -1.021 4.237 0.129 1.00 0.00 O ATOM 644 CB ILE A 42 1.011 2.988 2.547 1.00 0.00 C ATOM 645 CG1 ILE A 42 1.662 2.346 1.317 1.00 0.00 C ATOM 646 CG2 ILE A 42 1.121 2.069 3.756 1.00 0.00 C ATOM 647 CD1 ILE A 42 3.147 2.096 1.471 1.00 0.00 C ATOM 0 H ILE A 42 -0.994 1.946 0.790 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.918 3.643 3.206 1.00 0.00 H new ATOM 0 HB ILE A 42 1.544 3.912 2.770 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.164 1.400 1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.499 2.991 0.453 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.169 1.836 3.941 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.700 2.566 4.630 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.573 1.147 3.563 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.536 1.640 0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.658 3.042 1.650 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.318 1.426 2.313 1.00 0.00 H new ATOM 659 N SER A 43 -0.073 5.645 1.581 1.00 0.00 N ATOM 660 CA SER A 43 -0.080 6.752 0.631 1.00 0.00 C ATOM 661 C SER A 43 0.802 6.406 -0.571 1.00 0.00 C ATOM 662 O SER A 43 1.923 5.925 -0.407 1.00 0.00 O ATOM 663 CB SER A 43 0.401 8.043 1.298 1.00 0.00 C ATOM 664 OG SER A 43 0.015 9.183 0.548 1.00 0.00 O ATOM 0 H SER A 43 0.308 5.870 2.500 1.00 0.00 H new ATOM 0 HA SER A 43 -1.102 6.913 0.287 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.011 8.110 2.305 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.486 8.021 1.398 1.00 0.00 H new ATOM 0 HG SER A 43 -0.831 9.533 0.897 1.00 0.00 H new ATOM 670 N ASN A 44 0.283 6.642 -1.772 1.00 0.00 N ATOM 671 CA ASN A 44 0.965 6.238 -3.004 1.00 0.00 C ATOM 672 C ASN A 44 2.007 7.274 -3.413 1.00 0.00 C ATOM 673 O ASN A 44 2.855 7.018 -4.267 1.00 0.00 O ATOM 674 CB ASN A 44 -0.065 6.058 -4.129 1.00 0.00 C ATOM 675 CG ASN A 44 0.493 5.356 -5.355 1.00 0.00 C ATOM 676 OD1 ASN A 44 1.391 4.523 -5.257 1.00 0.00 O ATOM 677 ND2 ASN A 44 -0.047 5.680 -6.521 1.00 0.00 N ATOM 0 H ASN A 44 -0.610 7.112 -1.922 1.00 0.00 H new ATOM 0 HA ASN A 44 1.476 5.292 -2.824 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.912 5.488 -3.748 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.446 7.036 -4.422 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.281 5.233 -7.377 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.791 6.376 -6.563 1.00 0.00 H new ATOM 684 N ILE A 45 1.944 8.439 -2.786 1.00 0.00 N ATOM 685 CA ILE A 45 2.839 9.533 -3.118 1.00 0.00 C ATOM 686 C ILE A 45 3.935 9.662 -2.066 1.00 0.00 C ATOM 687 O ILE A 45 3.656 9.992 -0.912 1.00 0.00 O ATOM 688 CB ILE A 45 2.081 10.878 -3.200 1.00 0.00 C ATOM 689 CG1 ILE A 45 0.849 10.760 -4.104 1.00 0.00 C ATOM 690 CG2 ILE A 45 3.007 11.979 -3.700 1.00 0.00 C ATOM 691 CD1 ILE A 45 1.174 10.441 -5.546 1.00 0.00 C ATOM 0 H ILE A 45 1.279 8.650 -2.042 1.00 0.00 H new ATOM 0 HA ILE A 45 3.275 9.307 -4.091 1.00 0.00 H new ATOM 0 HB ILE A 45 1.740 11.138 -2.198 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.194 9.983 -3.709 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.292 11.696 -4.066 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.459 12.920 -3.752 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.848 12.087 -3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.378 11.720 -4.692 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.250 10.374 -6.121 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.803 11.229 -5.960 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.703 9.490 -5.598 1.00 0.00 H new ATOM 703 N ASP A 46 5.172 9.384 -2.455 1.00 0.00 N ATOM 704 CA ASP A 46 6.311 9.613 -1.568 1.00 0.00 C ATOM 705 C ASP A 46 6.558 11.115 -1.452 1.00 0.00 C ATOM 706 O ASP A 46 6.710 11.799 -2.465 1.00 0.00 O ATOM 707 CB ASP A 46 7.570 8.910 -2.092 1.00 0.00 C ATOM 708 CG ASP A 46 8.734 8.998 -1.117 1.00 0.00 C ATOM 709 OD1 ASP A 46 9.287 10.106 -0.941 1.00 0.00 O ATOM 710 OD2 ASP A 46 9.108 7.959 -0.534 1.00 0.00 O ATOM 0 H ASP A 46 5.414 9.003 -3.370 1.00 0.00 H new ATOM 0 HA ASP A 46 6.082 9.198 -0.586 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.342 7.862 -2.288 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.862 9.356 -3.043 1.00 0.00 H new ATOM 715 N PRO A 47 6.580 11.653 -0.224 1.00 0.00 N ATOM 716 CA PRO A 47 6.698 13.094 -0.001 1.00 0.00 C ATOM 717 C PRO A 47 8.109 13.644 -0.227 1.00 0.00 C ATOM 718 O PRO A 47 8.272 14.783 -0.670 1.00 0.00 O ATOM 719 CB PRO A 47 6.289 13.254 1.465 1.00 0.00 C ATOM 720 CG PRO A 47 6.620 11.950 2.105 1.00 0.00 C ATOM 721 CD PRO A 47 6.469 10.898 1.038 1.00 0.00 C ATOM 0 HA PRO A 47 6.083 13.653 -0.706 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.830 14.074 1.938 1.00 0.00 H new ATOM 0 HB3 PRO A 47 5.226 13.479 1.555 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.636 11.959 2.500 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.954 11.750 2.944 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.244 10.135 1.117 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.509 10.387 1.114 1.00 0.00 H new ATOM 729 N PHE A 48 9.123 12.839 0.060 1.00 0.00 N ATOM 730 CA PHE A 48 10.503 13.314 0.020 1.00 0.00 C ATOM 731 C PHE A 48 11.133 13.088 -1.348 1.00 0.00 C ATOM 732 O PHE A 48 11.812 13.965 -1.884 1.00 0.00 O ATOM 733 CB PHE A 48 11.341 12.622 1.097 1.00 0.00 C ATOM 734 CG PHE A 48 10.894 12.928 2.498 1.00 0.00 C ATOM 735 CD1 PHE A 48 11.216 14.139 3.092 1.00 0.00 C ATOM 736 CD2 PHE A 48 10.157 12.006 3.222 1.00 0.00 C ATOM 737 CE1 PHE A 48 10.808 14.423 4.381 1.00 0.00 C ATOM 738 CE2 PHE A 48 9.747 12.285 4.512 1.00 0.00 C ATOM 739 CZ PHE A 48 10.073 13.496 5.093 1.00 0.00 C ATOM 0 H PHE A 48 9.019 11.859 0.322 1.00 0.00 H new ATOM 0 HA PHE A 48 10.484 14.387 0.213 1.00 0.00 H new ATOM 0 HB2 PHE A 48 11.301 11.544 0.939 1.00 0.00 H new ATOM 0 HB3 PHE A 48 12.383 12.922 0.983 1.00 0.00 H new ATOM 0 HD1 PHE A 48 11.792 14.868 2.541 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.900 11.058 2.773 1.00 0.00 H new ATOM 0 HE1 PHE A 48 11.064 15.370 4.832 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.172 11.557 5.066 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.754 13.717 6.101 1.00 0.00 H new ATOM 749 N PHE A 49 10.909 11.911 -1.904 1.00 0.00 N ATOM 750 CA PHE A 49 11.490 11.543 -3.186 1.00 0.00 C ATOM 751 C PHE A 49 10.553 11.960 -4.313 1.00 0.00 C ATOM 752 O PHE A 49 10.973 12.123 -5.459 1.00 0.00 O ATOM 753 CB PHE A 49 11.732 10.034 -3.222 1.00 0.00 C ATOM 754 CG PHE A 49 12.765 9.593 -4.217 1.00 0.00 C ATOM 755 CD1 PHE A 49 14.090 9.967 -4.065 1.00 0.00 C ATOM 756 CD2 PHE A 49 12.418 8.788 -5.289 1.00 0.00 C ATOM 757 CE1 PHE A 49 15.051 9.547 -4.964 1.00 0.00 C ATOM 758 CE2 PHE A 49 13.376 8.360 -6.188 1.00 0.00 C ATOM 759 CZ PHE A 49 14.694 8.741 -6.024 1.00 0.00 C ATOM 0 H PHE A 49 10.325 11.188 -1.485 1.00 0.00 H new ATOM 0 HA PHE A 49 12.443 12.056 -3.317 1.00 0.00 H new ATOM 0 HB2 PHE A 49 12.038 9.704 -2.229 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.791 9.533 -3.448 1.00 0.00 H new ATOM 0 HD1 PHE A 49 14.375 10.595 -3.234 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.388 8.492 -5.424 1.00 0.00 H new ATOM 0 HE1 PHE A 49 16.080 9.849 -4.837 1.00 0.00 H new ATOM 0 HE2 PHE A 49 13.095 7.728 -7.018 1.00 0.00 H new ATOM 0 HZ PHE A 49 15.444 8.408 -6.726 1.00 0.00 H new ATOM 769 N GLU A 50 9.285 12.130 -3.952 1.00 0.00 N ATOM 770 CA GLU A 50 8.230 12.537 -4.875 1.00 0.00 C ATOM 771 C GLU A 50 8.032 11.518 -5.991 1.00 0.00 C ATOM 772 O GLU A 50 8.668 11.584 -7.047 1.00 0.00 O ATOM 773 CB GLU A 50 8.487 13.926 -5.466 1.00 0.00 C ATOM 774 CG GLU A 50 7.351 14.405 -6.356 1.00 0.00 C ATOM 775 CD GLU A 50 7.613 15.756 -6.976 1.00 0.00 C ATOM 776 OE1 GLU A 50 8.251 15.804 -8.047 1.00 0.00 O ATOM 777 OE2 GLU A 50 7.163 16.770 -6.407 1.00 0.00 O ATOM 0 H GLU A 50 8.956 11.987 -2.997 1.00 0.00 H new ATOM 0 HA GLU A 50 7.312 12.586 -4.289 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.634 14.640 -4.655 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.411 13.905 -6.043 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.185 13.675 -7.148 1.00 0.00 H new ATOM 0 HG3 GLU A 50 6.434 14.453 -5.769 1.00 0.00 H new ATOM 784 N SER A 51 7.153 10.568 -5.739 1.00 0.00 N ATOM 785 CA SER A 51 6.773 9.593 -6.739 1.00 0.00 C ATOM 786 C SER A 51 5.258 9.490 -6.781 1.00 0.00 C ATOM 787 O SER A 51 4.609 9.453 -5.736 1.00 0.00 O ATOM 788 CB SER A 51 7.390 8.223 -6.432 1.00 0.00 C ATOM 789 OG SER A 51 7.096 7.289 -7.459 1.00 0.00 O ATOM 0 H SER A 51 6.685 10.451 -4.840 1.00 0.00 H new ATOM 0 HA SER A 51 7.147 9.916 -7.710 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.470 8.323 -6.325 1.00 0.00 H new ATOM 0 HB3 SER A 51 7.008 7.854 -5.480 1.00 0.00 H new ATOM 0 HG SER A 51 6.539 6.569 -7.097 1.00 0.00 H new ATOM 795 N SER A 52 4.701 9.470 -7.981 1.00 0.00 N ATOM 796 CA SER A 52 3.261 9.363 -8.149 1.00 0.00 C ATOM 797 C SER A 52 2.782 7.966 -7.779 1.00 0.00 C ATOM 798 O SER A 52 1.678 7.793 -7.270 1.00 0.00 O ATOM 799 CB SER A 52 2.876 9.689 -9.590 1.00 0.00 C ATOM 800 OG SER A 52 3.389 10.953 -9.972 1.00 0.00 O ATOM 0 H SER A 52 5.225 9.527 -8.854 1.00 0.00 H new ATOM 0 HA SER A 52 2.779 10.080 -7.484 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.261 8.918 -10.258 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.791 9.686 -9.691 1.00 0.00 H new ATOM 0 HG SER A 52 3.133 11.143 -10.899 1.00 0.00 H new ATOM 806 N VAL A 53 3.616 6.971 -8.053 1.00 0.00 N ATOM 807 CA VAL A 53 3.276 5.591 -7.742 1.00 0.00 C ATOM 808 C VAL A 53 4.386 4.897 -6.952 1.00 0.00 C ATOM 809 O VAL A 53 5.543 4.869 -7.371 1.00 0.00 O ATOM 810 CB VAL A 53 2.963 4.776 -9.022 1.00 0.00 C ATOM 811 CG1 VAL A 53 1.623 5.190 -9.613 1.00 0.00 C ATOM 812 CG2 VAL A 53 4.067 4.939 -10.058 1.00 0.00 C ATOM 0 H VAL A 53 4.530 7.094 -8.489 1.00 0.00 H new ATOM 0 HA VAL A 53 2.380 5.628 -7.123 1.00 0.00 H new ATOM 0 HB VAL A 53 2.909 3.724 -8.740 1.00 0.00 H new ATOM 0 HG11 VAL A 53 1.425 4.604 -10.511 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.833 5.014 -8.883 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.650 6.249 -9.869 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.822 4.356 -10.946 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.160 5.991 -10.328 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.011 4.587 -9.642 1.00 0.00 H new ATOM 822 N LEU A 54 4.029 4.360 -5.796 1.00 0.00 N ATOM 823 CA LEU A 54 4.910 3.464 -5.060 1.00 0.00 C ATOM 824 C LEU A 54 4.607 2.025 -5.458 1.00 0.00 C ATOM 825 O LEU A 54 5.252 1.081 -5.006 1.00 0.00 O ATOM 826 CB LEU A 54 4.740 3.652 -3.551 1.00 0.00 C ATOM 827 CG LEU A 54 5.162 5.023 -3.017 1.00 0.00 C ATOM 828 CD1 LEU A 54 4.935 5.102 -1.516 1.00 0.00 C ATOM 829 CD2 LEU A 54 6.620 5.301 -3.349 1.00 0.00 C ATOM 0 H LEU A 54 3.130 4.530 -5.344 1.00 0.00 H new ATOM 0 HA LEU A 54 5.945 3.698 -5.308 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.694 3.486 -3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.319 2.885 -3.037 1.00 0.00 H new ATOM 0 HG LEU A 54 4.548 5.783 -3.500 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.240 6.083 -1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.878 4.948 -1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.524 4.332 -1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.901 6.280 -2.961 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.249 4.536 -2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.756 5.286 -4.430 1.00 0.00 H new ATOM 841 N SER A 55 3.616 1.883 -6.332 1.00 0.00 N ATOM 842 CA SER A 55 3.138 0.585 -6.791 1.00 0.00 C ATOM 843 C SER A 55 4.173 -0.125 -7.676 1.00 0.00 C ATOM 844 O SER A 55 3.970 -1.268 -8.090 1.00 0.00 O ATOM 845 CB SER A 55 1.841 0.796 -7.568 1.00 0.00 C ATOM 846 OG SER A 55 1.057 1.814 -6.967 1.00 0.00 O ATOM 0 H SER A 55 3.119 2.672 -6.745 1.00 0.00 H new ATOM 0 HA SER A 55 2.967 -0.053 -5.924 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.069 1.066 -8.599 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.275 -0.135 -7.600 1.00 0.00 H new ATOM 0 HG SER A 55 0.197 1.440 -6.683 1.00 0.00 H new ATOM 852 N ARG A 56 5.282 0.552 -7.950 1.00 0.00 N ATOM 853 CA ARG A 56 6.340 0.014 -8.802 1.00 0.00 C ATOM 854 C ARG A 56 7.383 -0.745 -7.985 1.00 0.00 C ATOM 855 O ARG A 56 8.581 -0.641 -8.247 1.00 0.00 O ATOM 856 CB ARG A 56 7.033 1.139 -9.577 1.00 0.00 C ATOM 857 CG ARG A 56 6.194 1.753 -10.682 1.00 0.00 C ATOM 858 CD ARG A 56 7.013 2.758 -11.479 1.00 0.00 C ATOM 859 NE ARG A 56 6.292 3.287 -12.637 1.00 0.00 N ATOM 860 CZ ARG A 56 6.657 3.059 -13.899 1.00 0.00 C ATOM 861 NH1 ARG A 56 7.667 2.237 -14.165 1.00 0.00 N ATOM 862 NH2 ARG A 56 6.007 3.644 -14.900 1.00 0.00 N ATOM 0 H ARG A 56 5.474 1.487 -7.590 1.00 0.00 H new ATOM 0 HA ARG A 56 5.870 -0.678 -9.501 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.318 1.924 -8.876 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.954 0.750 -10.011 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.825 0.970 -11.344 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.321 2.245 -10.253 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.300 3.583 -10.828 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.934 2.283 -11.816 1.00 0.00 H new ATOM 0 HE ARG A 56 5.466 3.861 -12.470 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.166 1.778 -13.403 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.943 2.065 -15.132 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.226 4.270 -14.704 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.289 3.467 -15.864 1.00 0.00 H new ATOM 876 N GLY A 57 6.933 -1.516 -7.005 1.00 0.00 N ATOM 877 CA GLY A 57 7.865 -2.205 -6.138 1.00 0.00 C ATOM 878 C GLY A 57 7.491 -3.654 -5.904 1.00 0.00 C ATOM 879 O GLY A 57 6.350 -4.060 -6.152 1.00 0.00 O ATOM 0 H GLY A 57 5.947 -1.676 -6.796 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.862 -2.158 -6.575 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.912 -1.688 -5.180 1.00 0.00 H new ATOM 883 N LEU A 58 8.456 -4.433 -5.433 1.00 0.00 N ATOM 884 CA LEU A 58 8.238 -5.844 -5.150 1.00 0.00 C ATOM 885 C LEU A 58 8.088 -6.051 -3.649 1.00 0.00 C ATOM 886 O LEU A 58 8.581 -5.251 -2.854 1.00 0.00 O ATOM 887 CB LEU A 58 9.388 -6.713 -5.693 1.00 0.00 C ATOM 888 CG LEU A 58 10.769 -6.482 -5.062 1.00 0.00 C ATOM 889 CD1 LEU A 58 11.661 -7.692 -5.295 1.00 0.00 C ATOM 890 CD2 LEU A 58 11.431 -5.235 -5.637 1.00 0.00 C ATOM 0 H LEU A 58 9.403 -4.108 -5.238 1.00 0.00 H new ATOM 0 HA LEU A 58 7.322 -6.153 -5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.120 -7.761 -5.556 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.469 -6.542 -6.766 1.00 0.00 H new ATOM 0 HG LEU A 58 10.631 -6.337 -3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 58 12.637 -7.517 -4.843 1.00 0.00 H new ATOM 0 HD12 LEU A 58 11.205 -8.573 -4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 58 11.781 -7.855 -6.366 1.00 0.00 H new ATOM 0 HD21 LEU A 58 12.407 -5.095 -5.173 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.554 -5.352 -6.714 1.00 0.00 H new ATOM 0 HD23 LEU A 58 10.805 -4.365 -5.436 1.00 0.00 H new ATOM 902 N ILE A 59 7.408 -7.116 -3.266 1.00 0.00 N ATOM 903 CA ILE A 59 7.123 -7.370 -1.863 1.00 0.00 C ATOM 904 C ILE A 59 7.930 -8.559 -1.356 1.00 0.00 C ATOM 905 O ILE A 59 7.846 -9.660 -1.902 1.00 0.00 O ATOM 906 CB ILE A 59 5.618 -7.626 -1.642 1.00 0.00 C ATOM 907 CG1 ILE A 59 4.805 -6.457 -2.209 1.00 0.00 C ATOM 908 CG2 ILE A 59 5.324 -7.819 -0.159 1.00 0.00 C ATOM 909 CD1 ILE A 59 3.309 -6.677 -2.189 1.00 0.00 C ATOM 0 H ILE A 59 7.042 -7.821 -3.906 1.00 0.00 H new ATOM 0 HA ILE A 59 7.411 -6.482 -1.300 1.00 0.00 H new ATOM 0 HB ILE A 59 5.331 -8.538 -2.165 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.037 -5.557 -1.639 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.121 -6.274 -3.236 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.258 -7.999 -0.020 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.888 -8.673 0.216 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.616 -6.923 0.389 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.807 -5.804 -2.607 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.063 -7.557 -2.784 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.977 -6.829 -1.162 1.00 0.00 H new ATOM 921 N ALA A 60 8.719 -8.322 -0.321 1.00 0.00 N ATOM 922 CA ALA A 60 9.556 -9.356 0.265 1.00 0.00 C ATOM 923 C ALA A 60 8.981 -9.824 1.595 1.00 0.00 C ATOM 924 O ALA A 60 8.271 -9.078 2.273 1.00 0.00 O ATOM 925 CB ALA A 60 10.975 -8.841 0.453 1.00 0.00 C ATOM 0 H ALA A 60 8.797 -7.413 0.135 1.00 0.00 H new ATOM 0 HA ALA A 60 9.580 -10.207 -0.416 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.591 -9.625 0.893 1.00 0.00 H new ATOM 0 HB2 ALA A 60 11.389 -8.553 -0.514 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.963 -7.975 1.115 1.00 0.00 H new ATOM 931 N GLU A 61 9.302 -11.055 1.964 1.00 0.00 N ATOM 932 CA GLU A 61 8.806 -11.643 3.198 1.00 0.00 C ATOM 933 C GLU A 61 9.955 -11.914 4.160 1.00 0.00 C ATOM 934 O GLU A 61 11.029 -12.359 3.753 1.00 0.00 O ATOM 935 CB GLU A 61 8.038 -12.939 2.892 1.00 0.00 C ATOM 936 CG GLU A 61 7.668 -13.759 4.122 1.00 0.00 C ATOM 937 CD GLU A 61 8.554 -14.980 4.301 1.00 0.00 C ATOM 938 OE1 GLU A 61 8.252 -16.034 3.706 1.00 0.00 O ATOM 939 OE2 GLU A 61 9.555 -14.890 5.042 1.00 0.00 O ATOM 0 H GLU A 61 9.909 -11.670 1.421 1.00 0.00 H new ATOM 0 HA GLU A 61 8.124 -10.938 3.674 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.126 -12.687 2.351 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.642 -13.556 2.227 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.741 -13.129 5.009 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.629 -14.078 4.042 1.00 0.00 H new ATOM 946 N HIS A 62 9.737 -11.608 5.432 1.00 0.00 N ATOM 947 CA HIS A 62 10.698 -11.948 6.466 1.00 0.00 C ATOM 948 C HIS A 62 9.995 -12.645 7.626 1.00 0.00 C ATOM 949 O HIS A 62 9.643 -12.012 8.619 1.00 0.00 O ATOM 950 CB HIS A 62 11.445 -10.706 6.969 1.00 0.00 C ATOM 951 CG HIS A 62 12.589 -11.026 7.891 1.00 0.00 C ATOM 952 ND1 HIS A 62 12.488 -11.001 9.267 1.00 0.00 N ATOM 953 CD2 HIS A 62 13.867 -11.387 7.620 1.00 0.00 C ATOM 954 CE1 HIS A 62 13.648 -11.334 9.799 1.00 0.00 C ATOM 955 NE2 HIS A 62 14.502 -11.573 8.822 1.00 0.00 N ATOM 0 H HIS A 62 8.904 -11.126 5.770 1.00 0.00 H new ATOM 0 HA HIS A 62 11.433 -12.626 6.031 1.00 0.00 H new ATOM 0 HB2 HIS A 62 11.824 -10.148 6.113 1.00 0.00 H new ATOM 0 HB3 HIS A 62 10.742 -10.054 7.488 1.00 0.00 H new ATOM 0 HD2 HIS A 62 14.304 -11.506 6.640 1.00 0.00 H new ATOM 0 HE1 HIS A 62 13.863 -11.400 10.855 1.00 0.00 H new ATOM 0 HE2 HIS A 62 15.476 -11.851 8.941 1.00 0.00 H new ATOM 964 N GLN A 63 9.726 -13.936 7.446 1.00 0.00 N ATOM 965 CA GLN A 63 9.193 -14.792 8.509 1.00 0.00 C ATOM 966 C GLN A 63 7.790 -14.356 8.920 1.00 0.00 C ATOM 967 O GLN A 63 7.366 -14.569 10.057 1.00 0.00 O ATOM 968 CB GLN A 63 10.131 -14.798 9.725 1.00 0.00 C ATOM 969 CG GLN A 63 10.983 -16.060 9.859 1.00 0.00 C ATOM 970 CD GLN A 63 12.141 -16.154 8.871 1.00 0.00 C ATOM 971 OE1 GLN A 63 13.184 -16.725 9.184 1.00 0.00 O ATOM 972 NE2 GLN A 63 11.973 -15.622 7.672 1.00 0.00 N ATOM 0 H GLN A 63 9.871 -14.420 6.560 1.00 0.00 H new ATOM 0 HA GLN A 63 9.129 -15.807 8.116 1.00 0.00 H new ATOM 0 HB2 GLN A 63 10.792 -13.933 9.663 1.00 0.00 H new ATOM 0 HB3 GLN A 63 9.534 -14.679 10.629 1.00 0.00 H new ATOM 0 HG2 GLN A 63 11.383 -16.106 10.872 1.00 0.00 H new ATOM 0 HG3 GLN A 63 10.341 -16.931 9.729 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.097 -15.154 7.440 1.00 0.00 H new ATOM 0 HE22 GLN A 63 12.720 -15.680 6.979 1.00 0.00 H new ATOM 981 N GLY A 64 7.065 -13.765 7.984 1.00 0.00 N ATOM 982 CA GLY A 64 5.707 -13.343 8.257 1.00 0.00 C ATOM 983 C GLY A 64 5.517 -11.852 8.088 1.00 0.00 C ATOM 984 O GLY A 64 4.390 -11.376 7.934 1.00 0.00 O ATOM 0 H GLY A 64 7.393 -13.569 7.038 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.025 -13.870 7.590 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.440 -13.627 9.275 1.00 0.00 H new ATOM 988 N GLU A 65 6.615 -11.110 8.118 1.00 0.00 N ATOM 989 CA GLU A 65 6.550 -9.673 7.941 1.00 0.00 C ATOM 990 C GLU A 65 6.745 -9.334 6.470 1.00 0.00 C ATOM 991 O GLU A 65 7.590 -9.927 5.797 1.00 0.00 O ATOM 992 CB GLU A 65 7.602 -8.977 8.808 1.00 0.00 C ATOM 993 CG GLU A 65 7.475 -7.465 8.812 1.00 0.00 C ATOM 994 CD GLU A 65 6.082 -7.002 9.190 1.00 0.00 C ATOM 995 OE1 GLU A 65 5.200 -6.977 8.306 1.00 0.00 O ATOM 996 OE2 GLU A 65 5.870 -6.650 10.367 1.00 0.00 O ATOM 0 H GLU A 65 7.555 -11.480 8.263 1.00 0.00 H new ATOM 0 HA GLU A 65 5.570 -9.315 8.257 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.519 -9.344 9.831 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.595 -9.250 8.451 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.197 -7.045 9.512 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.727 -7.080 7.824 1.00 0.00 H new ATOM 1003 N LEU A 66 5.964 -8.387 5.976 1.00 0.00 N ATOM 1004 CA LEU A 66 5.951 -8.075 4.556 1.00 0.00 C ATOM 1005 C LEU A 66 6.470 -6.669 4.296 1.00 0.00 C ATOM 1006 O LEU A 66 5.952 -5.686 4.835 1.00 0.00 O ATOM 1007 CB LEU A 66 4.536 -8.235 4.001 1.00 0.00 C ATOM 1008 CG LEU A 66 3.962 -9.648 4.118 1.00 0.00 C ATOM 1009 CD1 LEU A 66 2.505 -9.670 3.699 1.00 0.00 C ATOM 1010 CD2 LEU A 66 4.772 -10.626 3.279 1.00 0.00 C ATOM 0 H LEU A 66 5.330 -7.820 6.539 1.00 0.00 H new ATOM 0 HA LEU A 66 6.615 -8.773 4.046 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.875 -7.544 4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.537 -7.943 2.951 1.00 0.00 H new ATOM 0 HG LEU A 66 4.024 -9.956 5.162 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.116 -10.684 3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.931 -9.002 4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.419 -9.339 2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.348 -11.626 3.375 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.744 -10.319 2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.805 -10.635 3.627 1.00 0.00 H new ATOM 1022 N TRP A 67 7.490 -6.585 3.459 1.00 0.00 N ATOM 1023 CA TRP A 67 8.126 -5.318 3.140 1.00 0.00 C ATOM 1024 C TRP A 67 8.043 -5.048 1.646 1.00 0.00 C ATOM 1025 O TRP A 67 8.390 -5.906 0.837 1.00 0.00 O ATOM 1026 CB TRP A 67 9.597 -5.342 3.565 1.00 0.00 C ATOM 1027 CG TRP A 67 9.803 -5.554 5.033 1.00 0.00 C ATOM 1028 CD1 TRP A 67 9.745 -6.738 5.709 1.00 0.00 C ATOM 1029 CD2 TRP A 67 10.119 -4.553 6.000 1.00 0.00 C ATOM 1030 NE1 TRP A 67 9.990 -6.533 7.042 1.00 0.00 N ATOM 1031 CE2 TRP A 67 10.228 -5.196 7.247 1.00 0.00 C ATOM 1032 CE3 TRP A 67 10.318 -3.172 5.931 1.00 0.00 C ATOM 1033 CZ2 TRP A 67 10.530 -4.500 8.416 1.00 0.00 C ATOM 1034 CZ3 TRP A 67 10.617 -2.484 7.091 1.00 0.00 C ATOM 1035 CH2 TRP A 67 10.722 -3.148 8.318 1.00 0.00 C ATOM 0 H TRP A 67 7.899 -7.389 2.983 1.00 0.00 H new ATOM 0 HA TRP A 67 7.605 -4.528 3.680 1.00 0.00 H new ATOM 0 HB2 TRP A 67 10.110 -6.134 3.018 1.00 0.00 H new ATOM 0 HB3 TRP A 67 10.064 -4.401 3.275 1.00 0.00 H new ATOM 0 HD1 TRP A 67 9.536 -7.697 5.259 1.00 0.00 H new ATOM 0 HE1 TRP A 67 9.995 -7.255 7.763 1.00 0.00 H new ATOM 0 HE3 TRP A 67 10.240 -2.652 4.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 10.610 -5.009 9.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 10.772 -1.416 7.050 1.00 0.00 H new ATOM 0 HH2 TRP A 67 10.960 -2.582 9.207 1.00 0.00 H new ATOM 1046 N VAL A 68 7.585 -3.868 1.277 1.00 0.00 N ATOM 1047 CA VAL A 68 7.557 -3.485 -0.122 1.00 0.00 C ATOM 1048 C VAL A 68 8.796 -2.658 -0.451 1.00 0.00 C ATOM 1049 O VAL A 68 9.102 -1.670 0.224 1.00 0.00 O ATOM 1050 CB VAL A 68 6.266 -2.719 -0.505 1.00 0.00 C ATOM 1051 CG1 VAL A 68 6.113 -1.439 0.303 1.00 0.00 C ATOM 1052 CG2 VAL A 68 6.238 -2.421 -1.997 1.00 0.00 C ATOM 0 H VAL A 68 7.229 -3.162 1.921 1.00 0.00 H new ATOM 0 HA VAL A 68 7.559 -4.399 -0.715 1.00 0.00 H new ATOM 0 HB VAL A 68 5.419 -3.362 -0.265 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.196 -0.929 0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.066 -1.682 1.364 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.967 -0.787 0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.323 -1.883 -2.243 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.101 -1.810 -2.262 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.270 -3.356 -2.556 1.00 0.00 H new ATOM 1062 N ALA A 69 9.532 -3.097 -1.457 1.00 0.00 N ATOM 1063 CA ALA A 69 10.754 -2.428 -1.859 1.00 0.00 C ATOM 1064 C ALA A 69 10.585 -1.780 -3.222 1.00 0.00 C ATOM 1065 O ALA A 69 10.394 -2.465 -4.229 1.00 0.00 O ATOM 1066 CB ALA A 69 11.916 -3.411 -1.872 1.00 0.00 C ATOM 0 H ALA A 69 9.301 -3.920 -2.013 1.00 0.00 H new ATOM 0 HA ALA A 69 10.974 -1.644 -1.134 1.00 0.00 H new ATOM 0 HB1 ALA A 69 12.826 -2.894 -2.176 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.051 -3.828 -0.874 1.00 0.00 H new ATOM 0 HB3 ALA A 69 11.704 -4.216 -2.576 1.00 0.00 H new ATOM 1072 N SER A 70 10.628 -0.460 -3.248 1.00 0.00 N ATOM 1073 CA SER A 70 10.529 0.278 -4.493 1.00 0.00 C ATOM 1074 C SER A 70 11.922 0.578 -5.042 1.00 0.00 C ATOM 1075 O SER A 70 12.661 1.381 -4.466 1.00 0.00 O ATOM 1076 CB SER A 70 9.756 1.577 -4.271 1.00 0.00 C ATOM 1077 OG SER A 70 8.506 1.321 -3.659 1.00 0.00 O ATOM 0 H SER A 70 10.731 0.124 -2.418 1.00 0.00 H new ATOM 0 HA SER A 70 9.992 -0.330 -5.221 1.00 0.00 H new ATOM 0 HB2 SER A 70 10.341 2.251 -3.645 1.00 0.00 H new ATOM 0 HB3 SER A 70 9.602 2.081 -5.225 1.00 0.00 H new ATOM 0 HG SER A 70 8.028 2.166 -3.524 1.00 0.00 H new ATOM 1083 N PRO A 71 12.296 -0.062 -6.166 1.00 0.00 N ATOM 1084 CA PRO A 71 13.627 0.087 -6.778 1.00 0.00 C ATOM 1085 C PRO A 71 13.919 1.519 -7.229 1.00 0.00 C ATOM 1086 O PRO A 71 15.051 1.848 -7.577 1.00 0.00 O ATOM 1087 CB PRO A 71 13.579 -0.849 -7.993 1.00 0.00 C ATOM 1088 CG PRO A 71 12.454 -1.785 -7.717 1.00 0.00 C ATOM 1089 CD PRO A 71 11.452 -0.997 -6.929 1.00 0.00 C ATOM 0 HA PRO A 71 14.417 -0.152 -6.066 1.00 0.00 H new ATOM 0 HB2 PRO A 71 13.411 -0.291 -8.914 1.00 0.00 H new ATOM 0 HB3 PRO A 71 14.519 -1.387 -8.114 1.00 0.00 H new ATOM 0 HG2 PRO A 71 12.018 -2.156 -8.644 1.00 0.00 H new ATOM 0 HG3 PRO A 71 12.797 -2.654 -7.156 1.00 0.00 H new ATOM 0 HD2 PRO A 71 10.751 -0.471 -7.577 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.861 -1.636 -6.273 1.00 0.00 H new ATOM 1097 N LEU A 72 12.890 2.360 -7.210 1.00 0.00 N ATOM 1098 CA LEU A 72 13.021 3.765 -7.587 1.00 0.00 C ATOM 1099 C LEU A 72 14.026 4.479 -6.687 1.00 0.00 C ATOM 1100 O LEU A 72 14.745 5.370 -7.133 1.00 0.00 O ATOM 1101 CB LEU A 72 11.664 4.483 -7.512 1.00 0.00 C ATOM 1102 CG LEU A 72 10.621 4.075 -8.564 1.00 0.00 C ATOM 1103 CD1 LEU A 72 10.103 2.666 -8.315 1.00 0.00 C ATOM 1104 CD2 LEU A 72 9.468 5.067 -8.574 1.00 0.00 C ATOM 0 H LEU A 72 11.946 2.090 -6.934 1.00 0.00 H new ATOM 0 HA LEU A 72 13.381 3.796 -8.615 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.239 4.310 -6.523 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.838 5.555 -7.601 1.00 0.00 H new ATOM 0 HG LEU A 72 11.107 4.085 -9.539 1.00 0.00 H new ATOM 0 HD11 LEU A 72 9.367 2.409 -9.077 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.933 1.960 -8.359 1.00 0.00 H new ATOM 0 HD13 LEU A 72 9.638 2.618 -7.330 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.736 4.767 -9.324 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.995 5.085 -7.592 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.845 6.061 -8.813 1.00 0.00 H new ATOM 1116 N LYS A 73 14.076 4.079 -5.422 1.00 0.00 N ATOM 1117 CA LYS A 73 14.988 4.697 -4.464 1.00 0.00 C ATOM 1118 C LYS A 73 15.464 3.669 -3.432 1.00 0.00 C ATOM 1119 O LYS A 73 16.099 4.024 -2.441 1.00 0.00 O ATOM 1120 CB LYS A 73 14.288 5.867 -3.752 1.00 0.00 C ATOM 1121 CG LYS A 73 15.194 6.653 -2.815 1.00 0.00 C ATOM 1122 CD LYS A 73 14.398 7.354 -1.726 1.00 0.00 C ATOM 1123 CE LYS A 73 15.264 7.677 -0.516 1.00 0.00 C ATOM 1124 NZ LYS A 73 15.738 6.444 0.174 1.00 0.00 N ATOM 0 H LYS A 73 13.498 3.332 -5.036 1.00 0.00 H new ATOM 0 HA LYS A 73 15.856 5.073 -5.006 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.883 6.545 -4.503 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.443 5.479 -3.183 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.920 5.979 -2.360 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.758 7.390 -3.386 1.00 0.00 H new ATOM 0 HD2 LYS A 73 13.970 8.274 -2.123 1.00 0.00 H new ATOM 0 HD3 LYS A 73 13.565 6.721 -1.419 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.123 8.269 -0.832 1.00 0.00 H new ATOM 0 HE3 LYS A 73 14.695 8.289 0.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 16.178 6.701 1.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 14.931 5.811 0.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 16.436 5.958 -0.424 1.00 0.00 H new ATOM 1138 N LYS A 74 15.170 2.389 -3.675 1.00 0.00 N ATOM 1139 CA LYS A 74 15.443 1.341 -2.686 1.00 0.00 C ATOM 1140 C LYS A 74 14.592 1.616 -1.439 1.00 0.00 C ATOM 1141 O LYS A 74 15.006 1.396 -0.298 1.00 0.00 O ATOM 1142 CB LYS A 74 16.945 1.312 -2.346 1.00 0.00 C ATOM 1143 CG LYS A 74 17.354 0.221 -1.368 1.00 0.00 C ATOM 1144 CD LYS A 74 18.677 0.552 -0.696 1.00 0.00 C ATOM 1145 CE LYS A 74 18.621 1.907 0.004 1.00 0.00 C ATOM 1146 NZ LYS A 74 17.522 1.979 1.006 1.00 0.00 N ATOM 0 H LYS A 74 14.746 2.054 -4.540 1.00 0.00 H new ATOM 0 HA LYS A 74 15.181 0.362 -3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 74 17.510 1.184 -3.269 1.00 0.00 H new ATOM 0 HB3 LYS A 74 17.228 2.279 -1.930 1.00 0.00 H new ATOM 0 HG2 LYS A 74 16.579 0.099 -0.611 1.00 0.00 H new ATOM 0 HG3 LYS A 74 17.438 -0.730 -1.894 1.00 0.00 H new ATOM 0 HD2 LYS A 74 18.923 -0.224 0.029 1.00 0.00 H new ATOM 0 HD3 LYS A 74 19.474 0.557 -1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 74 19.574 2.098 0.498 1.00 0.00 H new ATOM 0 HE3 LYS A 74 18.484 2.692 -0.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 17.469 2.942 1.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 16.619 1.740 0.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 17.709 1.305 1.776 1.00 0.00 H new ATOM 1160 N GLN A 75 13.384 2.099 -1.687 1.00 0.00 N ATOM 1161 CA GLN A 75 12.482 2.529 -0.632 1.00 0.00 C ATOM 1162 C GLN A 75 11.792 1.314 -0.012 1.00 0.00 C ATOM 1163 O GLN A 75 11.163 0.528 -0.719 1.00 0.00 O ATOM 1164 CB GLN A 75 11.453 3.496 -1.226 1.00 0.00 C ATOM 1165 CG GLN A 75 10.842 4.473 -0.233 1.00 0.00 C ATOM 1166 CD GLN A 75 11.831 5.512 0.274 1.00 0.00 C ATOM 1167 OE1 GLN A 75 13.022 5.240 0.435 1.00 0.00 O ATOM 1168 NE2 GLN A 75 11.351 6.728 0.488 1.00 0.00 N ATOM 0 H GLN A 75 13.002 2.204 -2.627 1.00 0.00 H new ATOM 0 HA GLN A 75 13.039 3.039 0.154 1.00 0.00 H new ATOM 0 HB2 GLN A 75 11.929 4.064 -2.025 1.00 0.00 H new ATOM 0 HB3 GLN A 75 10.651 2.915 -1.682 1.00 0.00 H new ATOM 0 HG2 GLN A 75 10.001 4.981 -0.705 1.00 0.00 H new ATOM 0 HG3 GLN A 75 10.443 3.917 0.615 1.00 0.00 H new ATOM 0 HE21 GLN A 75 10.359 6.917 0.344 1.00 0.00 H new ATOM 0 HE22 GLN A 75 11.973 7.475 0.796 1.00 0.00 H new ATOM 1177 N ARG A 76 11.929 1.158 1.299 1.00 0.00 N ATOM 1178 CA ARG A 76 11.402 -0.012 1.999 1.00 0.00 C ATOM 1179 C ARG A 76 10.292 0.370 2.970 1.00 0.00 C ATOM 1180 O ARG A 76 10.542 1.057 3.960 1.00 0.00 O ATOM 1181 CB ARG A 76 12.518 -0.708 2.778 1.00 0.00 C ATOM 1182 CG ARG A 76 13.556 -1.403 1.913 1.00 0.00 C ATOM 1183 CD ARG A 76 14.672 -1.971 2.772 1.00 0.00 C ATOM 1184 NE ARG A 76 15.520 -2.911 2.044 1.00 0.00 N ATOM 1185 CZ ARG A 76 16.219 -3.883 2.631 1.00 0.00 C ATOM 1186 NH1 ARG A 76 16.214 -4.006 3.953 1.00 0.00 N ATOM 1187 NH2 ARG A 76 16.925 -4.725 1.893 1.00 0.00 N ATOM 0 H ARG A 76 12.403 1.829 1.903 1.00 0.00 H new ATOM 0 HA ARG A 76 10.993 -0.685 1.245 1.00 0.00 H new ATOM 0 HB2 ARG A 76 13.021 0.030 3.404 1.00 0.00 H new ATOM 0 HB3 ARG A 76 12.072 -1.443 3.448 1.00 0.00 H new ATOM 0 HG2 ARG A 76 13.085 -2.204 1.343 1.00 0.00 H new ATOM 0 HG3 ARG A 76 13.968 -0.697 1.192 1.00 0.00 H new ATOM 0 HD2 ARG A 76 15.285 -1.153 3.151 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.239 -2.473 3.637 1.00 0.00 H new ATOM 0 HE ARG A 76 15.581 -2.819 1.030 1.00 0.00 H new ATOM 0 HH11 ARG A 76 15.674 -3.356 4.524 1.00 0.00 H new ATOM 0 HH12 ARG A 76 16.750 -4.751 4.398 1.00 0.00 H new ATOM 0 HH21 ARG A 76 16.934 -4.629 0.878 1.00 0.00 H new ATOM 0 HH22 ARG A 76 17.461 -5.469 2.340 1.00 0.00 H new ATOM 1201 N PHE A 77 9.077 -0.091 2.693 1.00 0.00 N ATOM 1202 CA PHE A 77 7.942 0.148 3.583 1.00 0.00 C ATOM 1203 C PHE A 77 7.406 -1.166 4.142 1.00 0.00 C ATOM 1204 O PHE A 77 7.187 -2.123 3.398 1.00 0.00 O ATOM 1205 CB PHE A 77 6.807 0.872 2.852 1.00 0.00 C ATOM 1206 CG PHE A 77 7.146 2.257 2.388 1.00 0.00 C ATOM 1207 CD1 PHE A 77 7.198 3.308 3.287 1.00 0.00 C ATOM 1208 CD2 PHE A 77 7.394 2.509 1.050 1.00 0.00 C ATOM 1209 CE1 PHE A 77 7.494 4.587 2.861 1.00 0.00 C ATOM 1210 CE2 PHE A 77 7.691 3.786 0.618 1.00 0.00 C ATOM 1211 CZ PHE A 77 7.740 4.827 1.524 1.00 0.00 C ATOM 0 H PHE A 77 8.851 -0.633 1.859 1.00 0.00 H new ATOM 0 HA PHE A 77 8.301 0.775 4.399 1.00 0.00 H new ATOM 0 HB2 PHE A 77 6.510 0.276 1.989 1.00 0.00 H new ATOM 0 HB3 PHE A 77 5.943 0.926 3.514 1.00 0.00 H new ATOM 0 HD1 PHE A 77 7.005 3.125 4.334 1.00 0.00 H new ATOM 0 HD2 PHE A 77 7.355 1.699 0.337 1.00 0.00 H new ATOM 0 HE1 PHE A 77 7.533 5.399 3.572 1.00 0.00 H new ATOM 0 HE2 PHE A 77 7.885 3.971 -0.428 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.970 5.827 1.187 1.00 0.00 H new ATOM 1221 N ARG A 78 7.206 -1.212 5.451 1.00 0.00 N ATOM 1222 CA ARG A 78 6.583 -2.363 6.086 1.00 0.00 C ATOM 1223 C ARG A 78 5.068 -2.278 5.937 1.00 0.00 C ATOM 1224 O ARG A 78 4.436 -1.372 6.482 1.00 0.00 O ATOM 1225 CB ARG A 78 6.965 -2.438 7.566 1.00 0.00 C ATOM 1226 CG ARG A 78 6.442 -3.686 8.254 1.00 0.00 C ATOM 1227 CD ARG A 78 7.016 -3.855 9.651 1.00 0.00 C ATOM 1228 NE ARG A 78 6.484 -2.887 10.611 1.00 0.00 N ATOM 1229 CZ ARG A 78 5.797 -3.236 11.703 1.00 0.00 C ATOM 1230 NH1 ARG A 78 5.489 -4.509 11.923 1.00 0.00 N ATOM 1231 NH2 ARG A 78 5.410 -2.313 12.574 1.00 0.00 N ATOM 0 H ARG A 78 7.467 -0.465 6.094 1.00 0.00 H new ATOM 0 HA ARG A 78 6.941 -3.268 5.595 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.051 -2.408 7.657 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.578 -1.558 8.080 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.355 -3.637 8.313 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.690 -4.561 7.653 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.803 -4.864 10.005 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.100 -3.755 9.606 1.00 0.00 H new ATOM 0 HE ARG A 78 6.646 -1.895 10.438 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.777 -5.226 11.257 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.965 -4.770 12.758 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.637 -1.332 12.412 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.886 -2.585 13.406 1.00 0.00 H new ATOM 1245 N LEU A 79 4.494 -3.239 5.218 1.00 0.00 N ATOM 1246 CA LEU A 79 3.079 -3.195 4.842 1.00 0.00 C ATOM 1247 C LEU A 79 2.147 -3.359 6.039 1.00 0.00 C ATOM 1248 O LEU A 79 0.967 -3.026 5.956 1.00 0.00 O ATOM 1249 CB LEU A 79 2.773 -4.275 3.801 1.00 0.00 C ATOM 1250 CG LEU A 79 3.458 -4.085 2.447 1.00 0.00 C ATOM 1251 CD1 LEU A 79 3.128 -5.240 1.515 1.00 0.00 C ATOM 1252 CD2 LEU A 79 3.041 -2.760 1.822 1.00 0.00 C ATOM 0 H LEU A 79 4.989 -4.064 4.881 1.00 0.00 H new ATOM 0 HA LEU A 79 2.897 -2.207 4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.068 -5.243 4.207 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.695 -4.310 3.643 1.00 0.00 H new ATOM 0 HG LEU A 79 4.536 -4.069 2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.624 -5.087 0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.473 -6.175 1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.050 -5.287 1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.537 -2.640 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.961 -2.750 1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.326 -1.941 2.482 1.00 0.00 H new ATOM 1264 N SER A 80 2.675 -3.868 7.149 1.00 0.00 N ATOM 1265 CA SER A 80 1.873 -4.063 8.355 1.00 0.00 C ATOM 1266 C SER A 80 1.309 -2.728 8.858 1.00 0.00 C ATOM 1267 O SER A 80 0.295 -2.692 9.556 1.00 0.00 O ATOM 1268 CB SER A 80 2.710 -4.743 9.445 1.00 0.00 C ATOM 1269 OG SER A 80 1.918 -5.081 10.575 1.00 0.00 O ATOM 0 H SER A 80 3.650 -4.152 7.239 1.00 0.00 H new ATOM 0 HA SER A 80 1.032 -4.711 8.108 1.00 0.00 H new ATOM 0 HB2 SER A 80 3.173 -5.644 9.041 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.519 -4.079 9.751 1.00 0.00 H new ATOM 0 HG SER A 80 2.480 -5.514 11.251 1.00 0.00 H new ATOM 1275 N ASP A 81 1.971 -1.631 8.501 1.00 0.00 N ATOM 1276 CA ASP A 81 1.462 -0.303 8.820 1.00 0.00 C ATOM 1277 C ASP A 81 1.923 0.702 7.774 1.00 0.00 C ATOM 1278 O ASP A 81 1.138 1.178 6.963 1.00 0.00 O ATOM 1279 CB ASP A 81 1.923 0.136 10.213 1.00 0.00 C ATOM 1280 CG ASP A 81 1.393 1.504 10.601 1.00 0.00 C ATOM 1281 OD1 ASP A 81 0.245 1.588 11.095 1.00 0.00 O ATOM 1282 OD2 ASP A 81 2.129 2.493 10.439 1.00 0.00 O ATOM 0 H ASP A 81 2.856 -1.636 7.994 1.00 0.00 H new ATOM 0 HA ASP A 81 0.373 -0.344 8.816 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.594 -0.598 10.948 1.00 0.00 H new ATOM 0 HB3 ASP A 81 3.012 0.151 10.243 1.00 0.00 H new ATOM 1287 N GLY A 82 3.207 0.991 7.782 1.00 0.00 N ATOM 1288 CA GLY A 82 3.758 1.949 6.848 1.00 0.00 C ATOM 1289 C GLY A 82 5.113 2.434 7.296 1.00 0.00 C ATOM 1290 O GLY A 82 5.484 3.588 7.073 1.00 0.00 O ATOM 0 H GLY A 82 3.886 0.578 8.422 1.00 0.00 H new ATOM 0 HA2 GLY A 82 3.841 1.492 5.862 1.00 0.00 H new ATOM 0 HA3 GLY A 82 3.080 2.797 6.751 1.00 0.00 H new ATOM 1294 N LEU A 83 5.859 1.540 7.931 1.00 0.00 N ATOM 1295 CA LEU A 83 7.154 1.885 8.484 1.00 0.00 C ATOM 1296 C LEU A 83 8.234 1.763 7.426 1.00 0.00 C ATOM 1297 O LEU A 83 8.546 0.661 6.974 1.00 0.00 O ATOM 1298 CB LEU A 83 7.497 0.967 9.658 1.00 0.00 C ATOM 1299 CG LEU A 83 8.817 1.291 10.361 1.00 0.00 C ATOM 1300 CD1 LEU A 83 8.631 2.427 11.354 1.00 0.00 C ATOM 1301 CD2 LEU A 83 9.380 0.056 11.041 1.00 0.00 C ATOM 0 H LEU A 83 5.585 0.568 8.074 1.00 0.00 H new ATOM 0 HA LEU A 83 7.106 2.916 8.833 1.00 0.00 H new ATOM 0 HB2 LEU A 83 6.690 1.018 10.389 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.536 -0.061 9.298 1.00 0.00 H new ATOM 0 HG LEU A 83 9.536 1.617 9.609 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.581 2.642 11.843 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.284 3.317 10.828 1.00 0.00 H new ATOM 0 HD13 LEU A 83 7.894 2.138 12.104 1.00 0.00 H new ATOM 0 HD21 LEU A 83 10.318 0.308 11.535 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.667 -0.309 11.781 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.559 -0.720 10.296 1.00 0.00 H new ATOM 1313 N CYS A 84 8.781 2.889 7.016 1.00 0.00 N ATOM 1314 CA CYS A 84 9.932 2.889 6.140 1.00 0.00 C ATOM 1315 C CYS A 84 11.186 2.757 6.981 1.00 0.00 C ATOM 1316 O CYS A 84 11.316 3.429 7.995 1.00 0.00 O ATOM 1317 CB CYS A 84 9.977 4.174 5.316 1.00 0.00 C ATOM 1318 SG CYS A 84 11.390 4.296 4.193 1.00 0.00 S ATOM 0 H CYS A 84 8.446 3.816 7.276 1.00 0.00 H new ATOM 0 HA CYS A 84 9.864 2.049 5.449 1.00 0.00 H new ATOM 0 HB2 CYS A 84 9.059 4.250 4.734 1.00 0.00 H new ATOM 0 HB3 CYS A 84 9.995 5.026 5.996 1.00 0.00 H new ATOM 0 HG CYS A 84 11.628 3.131 3.667 1.00 0.00 H new ATOM 1324 N MET A 85 12.103 1.889 6.579 1.00 0.00 N ATOM 1325 CA MET A 85 13.334 1.685 7.343 1.00 0.00 C ATOM 1326 C MET A 85 14.173 2.964 7.392 1.00 0.00 C ATOM 1327 O MET A 85 14.965 3.166 8.311 1.00 0.00 O ATOM 1328 CB MET A 85 14.165 0.538 6.757 1.00 0.00 C ATOM 1329 CG MET A 85 13.437 -0.795 6.736 1.00 0.00 C ATOM 1330 SD MET A 85 14.486 -2.162 6.196 1.00 0.00 S ATOM 1331 CE MET A 85 15.675 -2.224 7.536 1.00 0.00 C ATOM 0 H MET A 85 12.024 1.318 5.738 1.00 0.00 H new ATOM 0 HA MET A 85 13.044 1.421 8.360 1.00 0.00 H new ATOM 0 HB2 MET A 85 14.459 0.797 5.740 1.00 0.00 H new ATOM 0 HB3 MET A 85 15.082 0.432 7.337 1.00 0.00 H new ATOM 0 HG2 MET A 85 13.054 -1.010 7.734 1.00 0.00 H new ATOM 0 HG3 MET A 85 12.575 -0.722 6.073 1.00 0.00 H new ATOM 0 HE1 MET A 85 16.133 -3.212 7.571 1.00 0.00 H new ATOM 0 HE2 MET A 85 16.447 -1.472 7.373 1.00 0.00 H new ATOM 0 HE3 MET A 85 15.169 -2.025 8.481 1.00 0.00 H new ATOM 1341 N GLU A 86 14.000 3.824 6.395 1.00 0.00 N ATOM 1342 CA GLU A 86 14.727 5.088 6.351 1.00 0.00 C ATOM 1343 C GLU A 86 13.918 6.219 6.994 1.00 0.00 C ATOM 1344 O GLU A 86 14.461 7.035 7.742 1.00 0.00 O ATOM 1345 CB GLU A 86 15.078 5.442 4.904 1.00 0.00 C ATOM 1346 CG GLU A 86 16.036 4.450 4.265 1.00 0.00 C ATOM 1347 CD GLU A 86 16.393 4.811 2.840 1.00 0.00 C ATOM 1348 OE1 GLU A 86 17.108 5.817 2.633 1.00 0.00 O ATOM 1349 OE2 GLU A 86 15.978 4.083 1.916 1.00 0.00 O ATOM 0 H GLU A 86 13.367 3.671 5.610 1.00 0.00 H new ATOM 0 HA GLU A 86 15.647 4.969 6.923 1.00 0.00 H new ATOM 0 HB2 GLU A 86 14.162 5.486 4.314 1.00 0.00 H new ATOM 0 HB3 GLU A 86 15.522 6.437 4.877 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.947 4.398 4.860 1.00 0.00 H new ATOM 0 HG3 GLU A 86 15.587 3.457 4.281 1.00 0.00 H new ATOM 1356 N ASP A 87 12.622 6.247 6.717 1.00 0.00 N ATOM 1357 CA ASP A 87 11.745 7.317 7.199 1.00 0.00 C ATOM 1358 C ASP A 87 11.106 6.945 8.540 1.00 0.00 C ATOM 1359 O ASP A 87 10.184 7.612 9.007 1.00 0.00 O ATOM 1360 CB ASP A 87 10.664 7.657 6.164 1.00 0.00 C ATOM 1361 CG ASP A 87 9.875 8.897 6.544 1.00 0.00 C ATOM 1362 OD1 ASP A 87 10.497 9.965 6.720 1.00 0.00 O ATOM 1363 OD2 ASP A 87 8.641 8.796 6.695 1.00 0.00 O ATOM 0 H ASP A 87 12.148 5.538 6.158 1.00 0.00 H new ATOM 0 HA ASP A 87 12.362 8.203 7.350 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.131 7.810 5.191 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.983 6.812 6.062 1.00 0.00 H new ATOM 1368 N GLU A 88 11.594 5.861 9.148 1.00 0.00 N ATOM 1369 CA GLU A 88 11.061 5.350 10.424 1.00 0.00 C ATOM 1370 C GLU A 88 11.008 6.418 11.523 1.00 0.00 C ATOM 1371 O GLU A 88 10.483 6.169 12.611 1.00 0.00 O ATOM 1372 CB GLU A 88 11.891 4.162 10.918 1.00 0.00 C ATOM 1373 CG GLU A 88 13.369 4.473 11.095 1.00 0.00 C ATOM 1374 CD GLU A 88 14.081 3.433 11.933 1.00 0.00 C ATOM 1375 OE1 GLU A 88 14.478 2.383 11.390 1.00 0.00 O ATOM 1376 OE2 GLU A 88 14.236 3.659 13.154 1.00 0.00 O ATOM 0 H GLU A 88 12.368 5.311 8.775 1.00 0.00 H new ATOM 0 HA GLU A 88 10.038 5.035 10.219 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.486 3.819 11.870 1.00 0.00 H new ATOM 0 HB3 GLU A 88 11.785 3.339 10.211 1.00 0.00 H new ATOM 0 HG2 GLU A 88 13.844 4.534 10.116 1.00 0.00 H new ATOM 0 HG3 GLU A 88 13.478 5.451 11.564 1.00 0.00 H new ATOM 1383 N GLN A 89 11.562 7.588 11.242 1.00 0.00 N ATOM 1384 CA GLN A 89 11.479 8.725 12.142 1.00 0.00 C ATOM 1385 C GLN A 89 10.019 9.133 12.352 1.00 0.00 C ATOM 1386 O GLN A 89 9.624 9.508 13.457 1.00 0.00 O ATOM 1387 CB GLN A 89 12.271 9.899 11.563 1.00 0.00 C ATOM 1388 CG GLN A 89 13.706 9.546 11.191 1.00 0.00 C ATOM 1389 CD GLN A 89 14.515 9.060 12.376 1.00 0.00 C ATOM 1390 OE1 GLN A 89 14.558 7.865 12.670 1.00 0.00 O ATOM 1391 NE2 GLN A 89 15.169 9.984 13.057 1.00 0.00 N ATOM 0 H GLN A 89 12.081 7.774 10.384 1.00 0.00 H new ATOM 0 HA GLN A 89 11.904 8.444 13.106 1.00 0.00 H new ATOM 0 HB2 GLN A 89 11.756 10.271 10.677 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.283 10.711 12.290 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.698 8.775 10.421 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.191 10.422 10.760 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.105 10.963 12.779 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.737 9.718 13.861 1.00 0.00 H new ATOM 1400 N PHE A 90 9.221 9.057 11.284 1.00 0.00 N ATOM 1401 CA PHE A 90 7.803 9.418 11.349 1.00 0.00 C ATOM 1402 C PHE A 90 6.933 8.463 10.531 1.00 0.00 C ATOM 1403 O PHE A 90 5.780 8.211 10.895 1.00 0.00 O ATOM 1404 CB PHE A 90 7.582 10.855 10.869 1.00 0.00 C ATOM 1405 CG PHE A 90 7.908 11.894 11.904 1.00 0.00 C ATOM 1406 CD1 PHE A 90 7.025 12.147 12.940 1.00 0.00 C ATOM 1407 CD2 PHE A 90 9.090 12.610 11.844 1.00 0.00 C ATOM 1408 CE1 PHE A 90 7.315 13.096 13.899 1.00 0.00 C ATOM 1409 CE2 PHE A 90 9.387 13.561 12.802 1.00 0.00 C ATOM 1410 CZ PHE A 90 8.498 13.804 13.830 1.00 0.00 C ATOM 0 H PHE A 90 9.533 8.748 10.363 1.00 0.00 H new ATOM 0 HA PHE A 90 7.505 9.339 12.394 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.194 11.031 9.984 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.542 10.971 10.565 1.00 0.00 H new ATOM 0 HD1 PHE A 90 6.098 11.595 12.998 1.00 0.00 H new ATOM 0 HD2 PHE A 90 9.788 12.424 11.041 1.00 0.00 H new ATOM 0 HE1 PHE A 90 6.618 13.284 14.702 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.313 14.113 12.746 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.728 14.547 14.579 1.00 0.00 H new ATOM 1420 N SER A 91 7.485 7.961 9.424 1.00 0.00 N ATOM 1421 CA SER A 91 6.792 7.017 8.540 1.00 0.00 C ATOM 1422 C SER A 91 5.686 7.709 7.737 1.00 0.00 C ATOM 1423 O SER A 91 5.452 8.913 7.883 1.00 0.00 O ATOM 1424 CB SER A 91 6.237 5.833 9.336 1.00 0.00 C ATOM 1425 OG SER A 91 7.274 5.183 10.054 1.00 0.00 O ATOM 0 H SER A 91 8.427 8.197 9.113 1.00 0.00 H new ATOM 0 HA SER A 91 7.522 6.634 7.827 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.471 6.181 10.029 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.758 5.126 8.659 1.00 0.00 H new ATOM 0 HG SER A 91 7.004 5.072 10.990 1.00 0.00 H new ATOM 1431 N VAL A 92 5.007 6.948 6.885 1.00 0.00 N ATOM 1432 CA VAL A 92 4.020 7.514 5.975 1.00 0.00 C ATOM 1433 C VAL A 92 2.589 7.297 6.464 1.00 0.00 C ATOM 1434 O VAL A 92 2.359 6.773 7.555 1.00 0.00 O ATOM 1435 CB VAL A 92 4.161 6.931 4.552 1.00 0.00 C ATOM 1436 CG1 VAL A 92 5.494 7.333 3.939 1.00 0.00 C ATOM 1437 CG2 VAL A 92 4.008 5.415 4.565 1.00 0.00 C ATOM 0 H VAL A 92 5.123 5.938 6.806 1.00 0.00 H new ATOM 0 HA VAL A 92 4.218 8.585 5.948 1.00 0.00 H new ATOM 0 HB VAL A 92 3.362 7.343 3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.575 6.913 2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.556 8.420 3.883 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.308 6.955 4.558 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.112 5.030 3.550 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.778 4.977 5.200 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.024 5.152 4.954 1.00 0.00 H new ATOM 1447 N LYS A 93 1.641 7.711 5.634 1.00 0.00 N ATOM 1448 CA LYS A 93 0.220 7.628 5.949 1.00 0.00 C ATOM 1449 C LYS A 93 -0.290 6.200 5.755 1.00 0.00 C ATOM 1450 O LYS A 93 -0.162 5.634 4.666 1.00 0.00 O ATOM 1451 CB LYS A 93 -0.548 8.579 5.030 1.00 0.00 C ATOM 1452 CG LYS A 93 -2.003 8.804 5.403 1.00 0.00 C ATOM 1453 CD LYS A 93 -2.156 9.894 6.449 1.00 0.00 C ATOM 1454 CE LYS A 93 -3.560 10.482 6.432 1.00 0.00 C ATOM 1455 NZ LYS A 93 -3.907 11.043 5.096 1.00 0.00 N ATOM 0 H LYS A 93 1.836 8.116 4.718 1.00 0.00 H new ATOM 0 HA LYS A 93 0.067 7.910 6.991 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.038 9.542 5.023 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.506 8.189 4.013 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.569 9.074 4.511 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.429 7.875 5.782 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.942 9.486 7.437 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.427 10.683 6.265 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.281 9.710 6.701 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.636 11.265 7.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.623 11.789 5.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.054 11.444 4.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -4.287 10.288 4.490 1.00 0.00 H new ATOM 1469 N HIS A 94 -0.861 5.624 6.805 1.00 0.00 N ATOM 1470 CA HIS A 94 -1.419 4.276 6.734 1.00 0.00 C ATOM 1471 C HIS A 94 -2.940 4.327 6.607 1.00 0.00 C ATOM 1472 O HIS A 94 -3.598 5.141 7.256 1.00 0.00 O ATOM 1473 CB HIS A 94 -1.019 3.460 7.975 1.00 0.00 C ATOM 1474 CG HIS A 94 -1.635 2.088 8.030 1.00 0.00 C ATOM 1475 ND1 HIS A 94 -2.212 1.569 9.167 1.00 0.00 N ATOM 1476 CD2 HIS A 94 -1.760 1.129 7.081 1.00 0.00 C ATOM 1477 CE1 HIS A 94 -2.664 0.355 8.916 1.00 0.00 C ATOM 1478 NE2 HIS A 94 -2.403 0.063 7.658 1.00 0.00 N ATOM 0 H HIS A 94 -0.951 6.069 7.719 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.013 3.788 5.848 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.066 3.361 7.998 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.307 4.013 8.869 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.417 1.192 6.059 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.164 -0.291 9.623 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -2.640 -0.812 7.190 1.00 0.00 H new ATOM 1487 N TYR A 95 -3.489 3.460 5.766 1.00 0.00 N ATOM 1488 CA TYR A 95 -4.930 3.360 5.601 1.00 0.00 C ATOM 1489 C TYR A 95 -5.410 1.950 5.894 1.00 0.00 C ATOM 1490 O TYR A 95 -4.661 0.981 5.740 1.00 0.00 O ATOM 1491 CB TYR A 95 -5.338 3.761 4.184 1.00 0.00 C ATOM 1492 CG TYR A 95 -5.055 5.207 3.880 1.00 0.00 C ATOM 1493 CD1 TYR A 95 -5.908 6.201 4.330 1.00 0.00 C ATOM 1494 CD2 TYR A 95 -3.929 5.579 3.161 1.00 0.00 C ATOM 1495 CE1 TYR A 95 -5.651 7.529 4.075 1.00 0.00 C ATOM 1496 CE2 TYR A 95 -3.659 6.907 2.906 1.00 0.00 C ATOM 1497 CZ TYR A 95 -4.525 7.877 3.363 1.00 0.00 C ATOM 1498 OH TYR A 95 -4.256 9.200 3.122 1.00 0.00 O ATOM 0 H TYR A 95 -2.954 2.814 5.186 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.396 4.043 6.311 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -4.808 3.134 3.467 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -6.402 3.568 4.050 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -6.790 5.929 4.891 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.255 4.819 2.796 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.327 8.292 4.431 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -2.775 7.185 2.352 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.386 9.281 2.678 1.00 0.00 H new ATOM 1508 N GLU A 96 -6.654 1.843 6.325 1.00 0.00 N ATOM 1509 CA GLU A 96 -7.265 0.551 6.572 1.00 0.00 C ATOM 1510 C GLU A 96 -7.815 -0.002 5.267 1.00 0.00 C ATOM 1511 O GLU A 96 -8.500 0.708 4.529 1.00 0.00 O ATOM 1512 CB GLU A 96 -8.386 0.686 7.600 1.00 0.00 C ATOM 1513 CG GLU A 96 -7.933 1.287 8.920 1.00 0.00 C ATOM 1514 CD GLU A 96 -6.949 0.404 9.656 1.00 0.00 C ATOM 1515 OE1 GLU A 96 -7.374 -0.638 10.197 1.00 0.00 O ATOM 1516 OE2 GLU A 96 -5.748 0.748 9.699 1.00 0.00 O ATOM 0 H GLU A 96 -7.263 2.640 6.512 1.00 0.00 H new ATOM 0 HA GLU A 96 -6.515 -0.134 6.967 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -9.179 1.306 7.181 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.816 -0.298 7.787 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.475 2.258 8.734 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -8.803 1.461 9.553 1.00 0.00 H new ATOM 1523 N ALA A 97 -7.512 -1.257 4.981 1.00 0.00 N ATOM 1524 CA ALA A 97 -7.929 -1.871 3.730 1.00 0.00 C ATOM 1525 C ALA A 97 -8.594 -3.214 3.980 1.00 0.00 C ATOM 1526 O ALA A 97 -8.109 -4.018 4.775 1.00 0.00 O ATOM 1527 CB ALA A 97 -6.734 -2.041 2.802 1.00 0.00 C ATOM 0 H ALA A 97 -6.979 -1.871 5.597 1.00 0.00 H new ATOM 0 HA ALA A 97 -8.656 -1.213 3.254 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -7.060 -2.502 1.869 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.296 -1.066 2.591 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -5.990 -2.678 3.280 1.00 0.00 H new ATOM 1533 N ARG A 98 -9.711 -3.447 3.309 1.00 0.00 N ATOM 1534 CA ARG A 98 -10.397 -4.726 3.391 1.00 0.00 C ATOM 1535 C ARG A 98 -11.033 -5.050 2.050 1.00 0.00 C ATOM 1536 O ARG A 98 -11.261 -4.158 1.234 1.00 0.00 O ATOM 1537 CB ARG A 98 -11.466 -4.717 4.491 1.00 0.00 C ATOM 1538 CG ARG A 98 -12.706 -3.905 4.151 1.00 0.00 C ATOM 1539 CD ARG A 98 -13.759 -4.044 5.237 1.00 0.00 C ATOM 1540 NE ARG A 98 -15.004 -3.356 4.909 1.00 0.00 N ATOM 1541 CZ ARG A 98 -16.091 -3.400 5.675 1.00 0.00 C ATOM 1542 NH1 ARG A 98 -16.089 -4.111 6.797 1.00 0.00 N ATOM 1543 NH2 ARG A 98 -17.183 -2.740 5.313 1.00 0.00 N ATOM 0 H ARG A 98 -10.163 -2.765 2.700 1.00 0.00 H new ATOM 0 HA ARG A 98 -9.664 -5.492 3.644 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -11.765 -5.744 4.700 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -11.026 -4.321 5.406 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -12.437 -2.855 4.032 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -13.115 -4.240 3.198 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -13.966 -5.101 5.403 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -13.365 -3.646 6.172 1.00 0.00 H new ATOM 0 HE ARG A 98 -15.043 -2.813 4.047 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -15.253 -4.625 7.073 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -16.924 -4.143 7.382 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -17.189 -2.199 4.448 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -18.017 -2.773 5.900 1.00 0.00 H new ATOM 1557 N VAL A 99 -11.311 -6.317 1.816 1.00 0.00 N ATOM 1558 CA VAL A 99 -11.941 -6.730 0.575 1.00 0.00 C ATOM 1559 C VAL A 99 -13.364 -7.202 0.834 1.00 0.00 C ATOM 1560 O VAL A 99 -13.590 -8.309 1.326 1.00 0.00 O ATOM 1561 CB VAL A 99 -11.142 -7.845 -0.125 1.00 0.00 C ATOM 1562 CG1 VAL A 99 -11.753 -8.181 -1.476 1.00 0.00 C ATOM 1563 CG2 VAL A 99 -9.688 -7.435 -0.285 1.00 0.00 C ATOM 0 H VAL A 99 -11.112 -7.078 2.466 1.00 0.00 H new ATOM 0 HA VAL A 99 -11.961 -5.863 -0.085 1.00 0.00 H new ATOM 0 HB VAL A 99 -11.184 -8.738 0.498 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -11.172 -8.971 -1.952 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -12.780 -8.519 -1.337 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -11.746 -7.294 -2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -9.137 -8.234 -0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -9.630 -6.527 -0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -9.252 -7.249 0.697 1.00 0.00 H new ATOM 1573 N LYS A 100 -14.315 -6.342 0.512 1.00 0.00 N ATOM 1574 CA LYS A 100 -15.721 -6.625 0.730 1.00 0.00 C ATOM 1575 C LYS A 100 -16.290 -7.382 -0.456 1.00 0.00 C ATOM 1576 O LYS A 100 -16.484 -6.799 -1.519 1.00 0.00 O ATOM 1577 CB LYS A 100 -16.502 -5.327 0.927 1.00 0.00 C ATOM 1578 CG LYS A 100 -17.952 -5.539 1.335 1.00 0.00 C ATOM 1579 CD LYS A 100 -18.736 -4.239 1.293 1.00 0.00 C ATOM 1580 CE LYS A 100 -19.530 -4.087 0.000 1.00 0.00 C ATOM 1581 NZ LYS A 100 -18.702 -4.284 -1.223 1.00 0.00 N ATOM 0 H LYS A 100 -14.134 -5.430 0.093 1.00 0.00 H new ATOM 0 HA LYS A 100 -15.814 -7.236 1.628 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -16.004 -4.726 1.688 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -16.475 -4.753 0.000 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -18.416 -6.267 0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -17.991 -5.957 2.341 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -19.418 -4.200 2.143 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -18.049 -3.399 1.397 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -20.348 -4.807 -0.003 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -19.979 -3.094 -0.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -19.231 -3.957 -2.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -17.820 -3.740 -1.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -18.476 -5.294 -1.331 1.00 0.00 H new ATOM 1595 N ASP A 101 -16.517 -8.678 -0.262 1.00 0.00 N ATOM 1596 CA ASP A 101 -17.107 -9.567 -1.276 1.00 0.00 C ATOM 1597 C ASP A 101 -16.423 -9.432 -2.644 1.00 0.00 C ATOM 1598 O ASP A 101 -17.028 -9.693 -3.685 1.00 0.00 O ATOM 1599 CB ASP A 101 -18.635 -9.353 -1.387 1.00 0.00 C ATOM 1600 CG ASP A 101 -19.064 -8.083 -2.109 1.00 0.00 C ATOM 1601 OD1 ASP A 101 -19.173 -7.023 -1.452 1.00 0.00 O ATOM 1602 OD2 ASP A 101 -19.346 -8.155 -3.325 1.00 0.00 O ATOM 0 H ASP A 101 -16.296 -9.153 0.613 1.00 0.00 H new ATOM 0 HA ASP A 101 -16.933 -10.589 -0.939 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -19.068 -10.209 -1.904 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -19.057 -9.340 -0.382 1.00 0.00 H new ATOM 1607 N GLY A 102 -15.141 -9.082 -2.632 1.00 0.00 N ATOM 1608 CA GLY A 102 -14.398 -8.946 -3.872 1.00 0.00 C ATOM 1609 C GLY A 102 -14.075 -7.502 -4.207 1.00 0.00 C ATOM 1610 O GLY A 102 -13.271 -7.226 -5.096 1.00 0.00 O ATOM 0 H GLY A 102 -14.603 -8.890 -1.787 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.470 -9.514 -3.799 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.976 -9.383 -4.686 1.00 0.00 H new ATOM 1614 N VAL A 103 -14.700 -6.584 -3.490 1.00 0.00 N ATOM 1615 CA VAL A 103 -14.509 -5.160 -3.716 1.00 0.00 C ATOM 1616 C VAL A 103 -13.535 -4.584 -2.687 1.00 0.00 C ATOM 1617 O VAL A 103 -13.749 -4.715 -1.482 1.00 0.00 O ATOM 1618 CB VAL A 103 -15.852 -4.406 -3.617 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -15.678 -2.934 -3.956 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -16.899 -5.050 -4.517 1.00 0.00 C ATOM 0 H VAL A 103 -15.352 -6.803 -2.737 1.00 0.00 H new ATOM 0 HA VAL A 103 -14.099 -5.032 -4.718 1.00 0.00 H new ATOM 0 HB VAL A 103 -16.201 -4.473 -2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -16.640 -2.427 -3.878 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -14.972 -2.481 -3.260 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -15.298 -2.837 -4.973 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -17.838 -4.503 -4.432 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -16.556 -5.023 -5.551 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -17.053 -6.085 -4.213 1.00 0.00 H new ATOM 1630 N VAL A 104 -12.473 -3.950 -3.156 1.00 0.00 N ATOM 1631 CA VAL A 104 -11.475 -3.371 -2.267 1.00 0.00 C ATOM 1632 C VAL A 104 -12.017 -2.101 -1.627 1.00 0.00 C ATOM 1633 O VAL A 104 -12.430 -1.174 -2.324 1.00 0.00 O ATOM 1634 CB VAL A 104 -10.167 -3.024 -3.012 1.00 0.00 C ATOM 1635 CG1 VAL A 104 -9.094 -2.570 -2.034 1.00 0.00 C ATOM 1636 CG2 VAL A 104 -9.681 -4.210 -3.831 1.00 0.00 C ATOM 0 H VAL A 104 -12.278 -3.822 -4.149 1.00 0.00 H new ATOM 0 HA VAL A 104 -11.255 -4.120 -1.506 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.375 -2.201 -3.696 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -8.182 -2.331 -2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -9.440 -1.685 -1.500 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -8.891 -3.368 -1.320 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -8.759 -3.942 -4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -9.495 -5.057 -3.170 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.441 -4.482 -4.564 1.00 0.00 H new ATOM 1646 N GLN A 105 -12.027 -2.063 -0.309 1.00 0.00 N ATOM 1647 CA GLN A 105 -12.490 -0.892 0.411 1.00 0.00 C ATOM 1648 C GLN A 105 -11.366 -0.292 1.236 1.00 0.00 C ATOM 1649 O GLN A 105 -10.584 -1.016 1.856 1.00 0.00 O ATOM 1650 CB GLN A 105 -13.664 -1.234 1.324 1.00 0.00 C ATOM 1651 CG GLN A 105 -14.925 -1.628 0.582 1.00 0.00 C ATOM 1652 CD GLN A 105 -16.128 -1.680 1.495 1.00 0.00 C ATOM 1653 OE1 GLN A 105 -16.010 -1.975 2.685 1.00 0.00 O ATOM 1654 NE2 GLN A 105 -17.292 -1.389 0.946 1.00 0.00 N ATOM 0 H GLN A 105 -11.719 -2.831 0.287 1.00 0.00 H new ATOM 0 HA GLN A 105 -12.823 -0.163 -0.328 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -13.372 -2.051 1.984 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -13.881 -0.374 1.958 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.110 -0.915 -0.221 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -14.781 -2.603 0.116 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -17.343 -1.150 -0.044 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -18.141 -1.403 1.512 1.00 0.00 H new ATOM 1663 N LEU A 106 -11.291 1.029 1.233 1.00 0.00 N ATOM 1664 CA LEU A 106 -10.299 1.741 2.023 1.00 0.00 C ATOM 1665 C LEU A 106 -10.982 2.647 3.037 1.00 0.00 C ATOM 1666 O LEU A 106 -12.027 3.234 2.751 1.00 0.00 O ATOM 1667 CB LEU A 106 -9.389 2.585 1.127 1.00 0.00 C ATOM 1668 CG LEU A 106 -8.585 1.817 0.078 1.00 0.00 C ATOM 1669 CD1 LEU A 106 -7.677 2.770 -0.683 1.00 0.00 C ATOM 1670 CD2 LEU A 106 -7.773 0.708 0.724 1.00 0.00 C ATOM 0 H LEU A 106 -11.908 1.633 0.690 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.694 1.000 2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -10.002 3.327 0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -8.692 3.132 1.762 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.281 1.359 -0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.108 2.214 -1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.281 3.529 -1.180 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -6.990 3.251 0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.210 0.176 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.082 1.138 1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.444 0.013 1.229 1.00 0.00 H new ATOM 1682 N ARG A 107 -10.398 2.743 4.223 1.00 0.00 N ATOM 1683 CA ARG A 107 -10.882 3.656 5.246 1.00 0.00 C ATOM 1684 C ARG A 107 -9.762 4.593 5.678 1.00 0.00 C ATOM 1685 O ARG A 107 -8.782 4.165 6.292 1.00 0.00 O ATOM 1686 CB ARG A 107 -11.432 2.894 6.456 1.00 0.00 C ATOM 1687 CG ARG A 107 -11.889 3.802 7.589 1.00 0.00 C ATOM 1688 CD ARG A 107 -12.473 3.013 8.751 1.00 0.00 C ATOM 1689 NE ARG A 107 -11.508 2.086 9.342 1.00 0.00 N ATOM 1690 CZ ARG A 107 -11.115 2.134 10.617 1.00 0.00 C ATOM 1691 NH1 ARG A 107 -11.559 3.090 11.422 1.00 0.00 N ATOM 1692 NH2 ARG A 107 -10.274 1.226 11.097 1.00 0.00 N ATOM 0 H ARG A 107 -9.583 2.196 4.501 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.697 4.242 4.821 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -12.271 2.276 6.136 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -10.663 2.218 6.830 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -11.045 4.395 7.941 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -12.636 4.502 7.214 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -12.822 3.706 9.517 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -13.343 2.455 8.406 1.00 0.00 H new ATOM 0 HE ARG A 107 -11.112 1.360 8.745 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -12.205 3.795 11.068 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -11.254 3.120 12.395 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -9.923 0.485 10.491 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -9.979 1.270 12.072 1.00 0.00 H new ATOM 1706 N GLY A 108 -9.908 5.863 5.332 1.00 0.00 N ATOM 1707 CA GLY A 108 -8.927 6.860 5.704 1.00 0.00 C ATOM 1708 C GLY A 108 -9.574 8.064 6.352 1.00 0.00 C ATOM 1709 O GLY A 108 -9.835 9.069 5.693 1.00 0.00 O ATOM 0 H GLY A 108 -10.697 6.223 4.795 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -8.204 6.421 6.391 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.375 7.176 4.819 1.00 0.00 H new