USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 THR OG1 : rot -68:sc= 0.096 USER MOD Set 1.2: A 61 GLN : amide:sc= -1.74 K(o=-1.6,f=-14!) USER MOD Set 2.1: A 56 ASN : amide:sc= 0.48 K(o=-2.4,f=-5) USER MOD Set 2.2: A 58 ASN :FLIP amide:sc= -2.88 F(o=-5!,f=-2.4) USER MOD Single : A 6 LYS NZ :NH3+ -146:sc= 0.354 (180deg=0.0361) USER MOD Single : A 7 LYS NZ :NH3+ 154:sc= -1.62! (180deg=-2.32!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= -2.24 K(o=-2.2,f=-7.9!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -5:sc= 1.16 USER MOD Single : A 17 CYS SG : rot 54:sc= 0.241 USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot -39:sc= 0.0278 USER MOD Single : A 44 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0698) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0103 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -2.64! C(o=-2.6!,f=-8.5!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 142:sc= -5.95! (180deg=-7.29!) USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 69 THR OG1 : rot -10:sc= 0.723 USER MOD Single : A 70 HIS : no HD1:sc= -0.86! C(o=-0.86!,f=-5.1!) USER MOD Single : A 71 TYR OH : rot -49:sc= 1.51 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 12.867 -1.464 -2.883 1.00 0.00 N ATOM 21 CA GLU A 2 11.668 -1.587 -3.758 1.00 0.00 C ATOM 22 C GLU A 2 10.826 -2.781 -3.304 1.00 0.00 C ATOM 23 O GLU A 2 11.287 -3.904 -3.278 1.00 0.00 O ATOM 24 CB GLU A 2 12.114 -1.798 -5.206 1.00 0.00 C ATOM 25 CG GLU A 2 12.874 -0.562 -5.693 1.00 0.00 C ATOM 26 CD GLU A 2 14.230 -0.488 -4.989 1.00 0.00 C ATOM 27 OE1 GLU A 2 14.751 -1.533 -4.636 1.00 0.00 O ATOM 28 OE2 GLU A 2 14.725 0.614 -4.815 1.00 0.00 O ATOM 0 HA GLU A 2 11.073 -0.676 -3.690 1.00 0.00 H new ATOM 0 HB2 GLU A 2 12.750 -2.680 -5.277 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.247 -1.979 -5.842 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.015 -0.610 -6.773 1.00 0.00 H new ATOM 0 HG3 GLU A 2 12.295 0.339 -5.487 1.00 0.00 H new ATOM 35 N TRP A 3 9.589 -2.546 -2.946 1.00 0.00 N ATOM 36 CA TRP A 3 8.707 -3.665 -2.492 1.00 0.00 C ATOM 37 C TRP A 3 7.842 -4.134 -3.663 1.00 0.00 C ATOM 38 O TRP A 3 7.880 -3.570 -4.738 1.00 0.00 O ATOM 39 CB TRP A 3 7.805 -3.168 -1.360 1.00 0.00 C ATOM 40 CG TRP A 3 8.648 -2.662 -0.234 1.00 0.00 C ATOM 41 CD1 TRP A 3 9.295 -1.475 -0.223 1.00 0.00 C ATOM 42 CD2 TRP A 3 8.948 -3.304 1.039 1.00 0.00 C ATOM 43 NE1 TRP A 3 9.973 -1.346 0.977 1.00 0.00 N ATOM 44 CE2 TRP A 3 9.790 -2.449 1.788 1.00 0.00 C ATOM 45 CE3 TRP A 3 8.575 -4.534 1.610 1.00 0.00 C ATOM 46 CZ2 TRP A 3 10.245 -2.800 3.059 1.00 0.00 C ATOM 47 CZ3 TRP A 3 9.031 -4.890 2.891 1.00 0.00 C ATOM 48 CH2 TRP A 3 9.865 -4.025 3.613 1.00 0.00 C ATOM 0 H TRP A 3 9.150 -1.625 -2.948 1.00 0.00 H new ATOM 0 HA TRP A 3 9.318 -4.494 -2.136 1.00 0.00 H new ATOM 0 HB2 TRP A 3 7.151 -2.375 -1.723 1.00 0.00 H new ATOM 0 HB3 TRP A 3 7.162 -3.976 -1.012 1.00 0.00 H new ATOM 0 HD1 TRP A 3 9.285 -0.746 -1.020 1.00 0.00 H new ATOM 0 HE1 TRP A 3 10.538 -0.536 1.231 1.00 0.00 H new ATOM 0 HE3 TRP A 3 7.935 -5.209 1.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 10.887 -2.129 3.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 8.737 -5.836 3.322 1.00 0.00 H new ATOM 0 HH2 TRP A 3 10.213 -4.305 4.596 1.00 0.00 H new ATOM 59 N TRP A 4 7.057 -5.163 -3.459 1.00 0.00 N ATOM 60 CA TRP A 4 6.181 -5.680 -4.557 1.00 0.00 C ATOM 61 C TRP A 4 4.813 -6.047 -3.980 1.00 0.00 C ATOM 62 O TRP A 4 4.704 -6.885 -3.106 1.00 0.00 O ATOM 63 CB TRP A 4 6.820 -6.924 -5.178 1.00 0.00 C ATOM 64 CG TRP A 4 8.133 -6.556 -5.792 1.00 0.00 C ATOM 65 CD1 TRP A 4 8.286 -5.785 -6.893 1.00 0.00 C ATOM 66 CD2 TRP A 4 9.474 -6.929 -5.363 1.00 0.00 C ATOM 67 NE1 TRP A 4 9.636 -5.661 -7.166 1.00 0.00 N ATOM 68 CE2 TRP A 4 10.409 -6.348 -6.251 1.00 0.00 C ATOM 69 CE3 TRP A 4 9.965 -7.708 -4.299 1.00 0.00 C ATOM 70 CZ2 TRP A 4 11.783 -6.532 -6.091 1.00 0.00 C ATOM 71 CZ3 TRP A 4 11.347 -7.895 -4.135 1.00 0.00 C ATOM 72 CH2 TRP A 4 12.254 -7.309 -5.029 1.00 0.00 C ATOM 0 H TRP A 4 6.985 -5.669 -2.576 1.00 0.00 H new ATOM 0 HA TRP A 4 6.063 -4.912 -5.322 1.00 0.00 H new ATOM 0 HB2 TRP A 4 6.965 -7.690 -4.416 1.00 0.00 H new ATOM 0 HB3 TRP A 4 6.159 -7.347 -5.934 1.00 0.00 H new ATOM 0 HD1 TRP A 4 7.485 -5.340 -7.465 1.00 0.00 H new ATOM 0 HE1 TRP A 4 10.015 -5.127 -7.948 1.00 0.00 H new ATOM 0 HE3 TRP A 4 9.275 -8.165 -3.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 12.477 -6.078 -6.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 11.714 -8.494 -3.315 1.00 0.00 H new ATOM 0 HH2 TRP A 4 13.316 -7.458 -4.897 1.00 0.00 H new ATOM 83 N VAL A 5 3.769 -5.426 -4.455 1.00 0.00 N ATOM 84 CA VAL A 5 2.414 -5.742 -3.926 1.00 0.00 C ATOM 85 C VAL A 5 1.955 -7.102 -4.457 1.00 0.00 C ATOM 86 O VAL A 5 2.128 -7.419 -5.616 1.00 0.00 O ATOM 87 CB VAL A 5 1.424 -4.661 -4.367 1.00 0.00 C ATOM 88 CG1 VAL A 5 1.793 -3.331 -3.708 1.00 0.00 C ATOM 89 CG2 VAL A 5 1.475 -4.503 -5.887 1.00 0.00 C ATOM 0 H VAL A 5 3.796 -4.715 -5.185 1.00 0.00 H new ATOM 0 HA VAL A 5 2.454 -5.775 -2.837 1.00 0.00 H new ATOM 0 HB VAL A 5 0.418 -4.952 -4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.088 -2.561 -4.022 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.753 -3.439 -2.624 1.00 0.00 H new ATOM 0 HG13 VAL A 5 2.801 -3.044 -4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.769 -3.733 -6.197 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.482 -4.215 -6.189 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.211 -5.449 -6.360 1.00 0.00 H new ATOM 99 N LYS A 6 1.363 -7.908 -3.612 1.00 0.00 N ATOM 100 CA LYS A 6 0.876 -9.254 -4.049 1.00 0.00 C ATOM 101 C LYS A 6 -0.641 -9.198 -4.231 1.00 0.00 C ATOM 102 O LYS A 6 -1.190 -9.768 -5.153 1.00 0.00 O ATOM 103 CB LYS A 6 1.221 -10.293 -2.980 1.00 0.00 C ATOM 104 CG LYS A 6 0.893 -11.692 -3.504 1.00 0.00 C ATOM 105 CD LYS A 6 1.177 -12.726 -2.413 1.00 0.00 C ATOM 106 CE LYS A 6 0.943 -14.133 -2.969 1.00 0.00 C ATOM 107 NZ LYS A 6 1.045 -15.127 -1.863 1.00 0.00 N ATOM 0 H LYS A 6 1.194 -7.690 -2.630 1.00 0.00 H new ATOM 0 HA LYS A 6 1.352 -9.531 -4.989 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.278 -10.228 -2.722 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.658 -10.093 -2.068 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.154 -11.743 -3.804 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.490 -11.909 -4.390 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.205 -12.628 -2.063 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.530 -12.551 -1.554 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.040 -14.192 -3.436 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.678 -14.357 -3.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.455 -16.011 -2.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.654 -14.747 -1.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.097 -15.317 -1.479 1.00 0.00 H new ATOM 121 N LYS A 7 -1.323 -8.509 -3.353 1.00 0.00 N ATOM 122 CA LYS A 7 -2.810 -8.399 -3.458 1.00 0.00 C ATOM 123 C LYS A 7 -3.235 -6.991 -3.034 1.00 0.00 C ATOM 124 O LYS A 7 -2.489 -6.274 -2.397 1.00 0.00 O ATOM 125 CB LYS A 7 -3.467 -9.431 -2.532 1.00 0.00 C ATOM 126 CG LYS A 7 -3.397 -10.818 -3.175 1.00 0.00 C ATOM 127 CD LYS A 7 -3.752 -11.883 -2.135 1.00 0.00 C ATOM 128 CE LYS A 7 -5.123 -11.576 -1.530 1.00 0.00 C ATOM 129 NZ LYS A 7 -6.047 -11.110 -2.602 1.00 0.00 N ATOM 0 H LYS A 7 -0.911 -8.014 -2.562 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.122 -8.587 -4.485 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.962 -9.441 -1.566 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.506 -9.158 -2.346 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.086 -10.874 -4.018 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.396 -10.998 -3.568 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.761 -12.869 -2.599 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.995 -11.906 -1.351 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.527 -12.466 -1.049 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.029 -10.812 -0.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.029 -11.317 -2.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.934 -10.085 -2.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.824 -11.602 -3.491 1.00 0.00 H new ATOM 143 N VAL A 8 -4.426 -6.587 -3.382 1.00 0.00 N ATOM 144 CA VAL A 8 -4.888 -5.223 -2.996 1.00 0.00 C ATOM 145 C VAL A 8 -6.413 -5.148 -3.103 1.00 0.00 C ATOM 146 O VAL A 8 -7.031 -5.863 -3.867 1.00 0.00 O ATOM 147 CB VAL A 8 -4.250 -4.185 -3.929 1.00 0.00 C ATOM 148 CG1 VAL A 8 -4.433 -4.626 -5.384 1.00 0.00 C ATOM 149 CG2 VAL A 8 -4.912 -2.814 -3.720 1.00 0.00 C ATOM 0 H VAL A 8 -5.097 -7.140 -3.915 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.591 -5.015 -1.968 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.187 -4.106 -3.702 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.980 -3.889 -6.047 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.953 -5.593 -5.534 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.496 -4.710 -5.608 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.453 -2.083 -4.386 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.977 -2.887 -3.940 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.776 -2.498 -2.686 1.00 0.00 H new ATOM 159 N GLN A 9 -7.020 -4.277 -2.337 1.00 0.00 N ATOM 160 CA GLN A 9 -8.508 -4.124 -2.373 1.00 0.00 C ATOM 161 C GLN A 9 -8.855 -2.635 -2.430 1.00 0.00 C ATOM 162 O GLN A 9 -8.326 -1.837 -1.681 1.00 0.00 O ATOM 163 CB GLN A 9 -9.112 -4.741 -1.108 1.00 0.00 C ATOM 164 CG GLN A 9 -8.467 -6.104 -0.849 1.00 0.00 C ATOM 165 CD GLN A 9 -9.280 -6.863 0.200 1.00 0.00 C ATOM 166 OE1 GLN A 9 -9.746 -7.958 -0.050 1.00 0.00 O ATOM 167 NE2 GLN A 9 -9.474 -6.326 1.374 1.00 0.00 N ATOM 0 H GLN A 9 -6.543 -3.658 -1.681 1.00 0.00 H new ATOM 0 HA GLN A 9 -8.911 -4.629 -3.251 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.950 -4.082 -0.255 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.190 -4.853 -1.224 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.422 -6.678 -1.774 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.441 -5.973 -0.504 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.084 -5.408 1.585 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.016 -6.825 2.080 1.00 0.00 H new ATOM 176 N ASP A 10 -9.733 -2.252 -3.314 1.00 0.00 N ATOM 177 CA ASP A 10 -10.105 -0.812 -3.419 1.00 0.00 C ATOM 178 C ASP A 10 -10.590 -0.307 -2.059 1.00 0.00 C ATOM 179 O ASP A 10 -10.759 -1.067 -1.127 1.00 0.00 O ATOM 180 CB ASP A 10 -11.219 -0.646 -4.454 1.00 0.00 C ATOM 181 CG ASP A 10 -12.298 -1.705 -4.220 1.00 0.00 C ATOM 182 OD1 ASP A 10 -11.960 -2.877 -4.222 1.00 0.00 O ATOM 183 OD2 ASP A 10 -13.444 -1.326 -4.044 1.00 0.00 O ATOM 0 H ASP A 10 -10.209 -2.873 -3.968 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.234 -0.235 -3.729 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.652 0.352 -4.380 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.812 -0.743 -5.460 1.00 0.00 H new ATOM 188 N ASN A 11 -10.813 0.973 -1.939 1.00 0.00 N ATOM 189 CA ASN A 11 -11.285 1.535 -0.640 1.00 0.00 C ATOM 190 C ASN A 11 -12.800 1.366 -0.535 1.00 0.00 C ATOM 191 O ASN A 11 -13.547 2.324 -0.573 1.00 0.00 O ATOM 192 CB ASN A 11 -10.932 3.022 -0.570 1.00 0.00 C ATOM 193 CG ASN A 11 -11.519 3.744 -1.784 1.00 0.00 C ATOM 194 OD1 ASN A 11 -12.283 3.173 -2.534 1.00 0.00 O ATOM 195 ND2 ASN A 11 -11.190 4.987 -2.010 1.00 0.00 N ATOM 0 H ASN A 11 -10.689 1.656 -2.686 1.00 0.00 H new ATOM 0 HA ASN A 11 -10.802 1.008 0.183 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.324 3.457 0.349 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -9.850 3.149 -0.546 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -11.575 5.478 -2.817 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.548 5.467 -1.380 1.00 0.00 H new ATOM 202 N ALA A 12 -13.261 0.154 -0.404 1.00 0.00 N ATOM 203 CA ALA A 12 -14.728 -0.078 -0.298 1.00 0.00 C ATOM 204 C ALA A 12 -15.215 0.362 1.084 1.00 0.00 C ATOM 205 O ALA A 12 -16.398 0.369 1.363 1.00 0.00 O ATOM 206 CB ALA A 12 -15.021 -1.566 -0.495 1.00 0.00 C ATOM 0 H ALA A 12 -12.685 -0.687 -0.366 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.246 0.499 -1.064 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -16.094 -1.739 -0.418 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -14.673 -1.878 -1.480 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -14.505 -2.143 0.272 1.00 0.00 H new ATOM 212 N SER A 13 -14.314 0.733 1.952 1.00 0.00 N ATOM 213 CA SER A 13 -14.727 1.175 3.315 1.00 0.00 C ATOM 214 C SER A 13 -15.190 2.631 3.258 1.00 0.00 C ATOM 215 O SER A 13 -16.221 2.985 3.794 1.00 0.00 O ATOM 216 CB SER A 13 -13.539 1.056 4.271 1.00 0.00 C ATOM 217 OG SER A 13 -13.310 -0.316 4.569 1.00 0.00 O ATOM 0 H SER A 13 -13.309 0.749 1.777 1.00 0.00 H new ATOM 0 HA SER A 13 -15.544 0.546 3.670 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.649 1.495 3.820 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.738 1.611 5.188 1.00 0.00 H new ATOM 0 HG SER A 13 -12.548 -0.395 5.180 1.00 0.00 H new ATOM 223 N ALA A 14 -14.436 3.475 2.607 1.00 0.00 N ATOM 224 CA ALA A 14 -14.821 4.913 2.505 1.00 0.00 C ATOM 225 C ALA A 14 -13.679 5.685 1.835 1.00 0.00 C ATOM 226 O ALA A 14 -13.873 6.380 0.858 1.00 0.00 O ATOM 227 CB ALA A 14 -15.077 5.479 3.911 1.00 0.00 C ATOM 0 H ALA A 14 -13.564 3.229 2.138 1.00 0.00 H new ATOM 0 HA ALA A 14 -15.730 5.013 1.912 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -15.358 6.529 3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -15.884 4.921 4.386 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -14.171 5.388 4.510 1.00 0.00 H new ATOM 233 N SER A 15 -12.489 5.563 2.356 1.00 0.00 N ATOM 234 CA SER A 15 -11.331 6.282 1.757 1.00 0.00 C ATOM 235 C SER A 15 -10.033 5.623 2.221 1.00 0.00 C ATOM 236 O SER A 15 -9.033 6.278 2.435 1.00 0.00 O ATOM 237 CB SER A 15 -11.350 7.745 2.205 1.00 0.00 C ATOM 238 OG SER A 15 -12.423 8.419 1.563 1.00 0.00 O ATOM 0 H SER A 15 -12.269 4.994 3.174 1.00 0.00 H new ATOM 0 HA SER A 15 -11.396 6.236 0.670 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.464 7.804 3.287 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.403 8.225 1.957 1.00 0.00 H new ATOM 0 HG SER A 15 -12.852 7.815 0.921 1.00 0.00 H new ATOM 244 N LEU A 16 -10.045 4.323 2.382 1.00 0.00 N ATOM 245 CA LEU A 16 -8.817 3.599 2.837 1.00 0.00 C ATOM 246 C LEU A 16 -8.671 2.302 2.040 1.00 0.00 C ATOM 247 O LEU A 16 -9.513 1.429 2.100 1.00 0.00 O ATOM 248 CB LEU A 16 -8.952 3.254 4.327 1.00 0.00 C ATOM 249 CG LEU A 16 -8.792 4.523 5.189 1.00 0.00 C ATOM 250 CD1 LEU A 16 -9.472 4.311 6.545 1.00 0.00 C ATOM 251 CD2 LEU A 16 -7.305 4.828 5.421 1.00 0.00 C ATOM 0 H LEU A 16 -10.857 3.729 2.217 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.943 4.232 2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.925 2.799 4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.197 2.519 4.607 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.254 5.360 4.665 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.358 5.208 7.153 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.532 4.108 6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.010 3.466 7.055 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.209 5.726 6.031 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.837 3.988 5.935 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.812 4.986 4.462 1.00 0.00 H new ATOM 263 N CYS A 17 -7.601 2.166 1.300 1.00 0.00 N ATOM 264 CA CYS A 17 -7.384 0.922 0.502 1.00 0.00 C ATOM 265 C CYS A 17 -6.408 0.025 1.257 1.00 0.00 C ATOM 266 O CYS A 17 -5.562 0.502 1.982 1.00 0.00 O ATOM 267 CB CYS A 17 -6.791 1.291 -0.861 1.00 0.00 C ATOM 268 SG CYS A 17 -6.175 -0.202 -1.679 1.00 0.00 S ATOM 0 H CYS A 17 -6.865 2.867 1.214 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.330 0.401 0.353 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.548 1.771 -1.481 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.981 2.009 -0.734 1.00 0.00 H new ATOM 0 HG CYS A 17 -7.121 -1.093 -1.725 1.00 0.00 H new ATOM 274 N ARG A 18 -6.516 -1.269 1.097 1.00 0.00 N ATOM 275 CA ARG A 18 -5.586 -2.203 1.809 1.00 0.00 C ATOM 276 C ARG A 18 -4.621 -2.811 0.794 1.00 0.00 C ATOM 277 O ARG A 18 -4.976 -3.052 -0.343 1.00 0.00 O ATOM 278 CB ARG A 18 -6.397 -3.319 2.472 1.00 0.00 C ATOM 279 CG ARG A 18 -7.337 -2.715 3.516 1.00 0.00 C ATOM 280 CD ARG A 18 -8.072 -3.835 4.252 1.00 0.00 C ATOM 281 NE ARG A 18 -9.061 -3.244 5.198 1.00 0.00 N ATOM 282 CZ ARG A 18 -10.060 -3.962 5.633 1.00 0.00 C ATOM 283 NH1 ARG A 18 -10.193 -5.201 5.242 1.00 0.00 N ATOM 284 NH2 ARG A 18 -10.925 -3.444 6.462 1.00 0.00 N ATOM 0 H ARG A 18 -7.210 -1.722 0.502 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.027 -1.660 2.571 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.971 -3.861 1.721 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.728 -4.039 2.943 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.770 -2.111 4.225 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.054 -2.051 3.034 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.579 -4.483 3.537 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.360 -4.456 4.795 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.957 -2.277 5.506 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.516 -5.608 4.597 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.974 -5.762 5.582 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.820 -2.477 6.770 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.706 -4.006 6.802 1.00 0.00 H new ATOM 298 N VAL A 19 -3.396 -3.052 1.187 1.00 0.00 N ATOM 299 CA VAL A 19 -2.405 -3.636 0.231 1.00 0.00 C ATOM 300 C VAL A 19 -1.478 -4.613 0.951 1.00 0.00 C ATOM 301 O VAL A 19 -1.003 -4.348 2.037 1.00 0.00 O ATOM 302 CB VAL A 19 -1.552 -2.515 -0.371 1.00 0.00 C ATOM 303 CG1 VAL A 19 -2.456 -1.443 -0.974 1.00 0.00 C ATOM 304 CG2 VAL A 19 -0.682 -1.888 0.724 1.00 0.00 C ATOM 0 H VAL A 19 -3.039 -2.871 2.125 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.952 -4.162 -0.552 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.915 -2.931 -1.152 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.844 -0.648 -1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.073 -1.885 -1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.098 -1.029 -0.196 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.075 -1.091 0.295 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.321 -1.477 1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.030 -2.650 1.151 1.00 0.00 H new ATOM 314 N VAL A 20 -1.185 -5.725 0.330 1.00 0.00 N ATOM 315 CA VAL A 20 -0.250 -6.709 0.946 1.00 0.00 C ATOM 316 C VAL A 20 1.127 -6.505 0.313 1.00 0.00 C ATOM 317 O VAL A 20 1.302 -6.685 -0.875 1.00 0.00 O ATOM 318 CB VAL A 20 -0.733 -8.135 0.672 1.00 0.00 C ATOM 319 CG1 VAL A 20 0.114 -9.123 1.477 1.00 0.00 C ATOM 320 CG2 VAL A 20 -2.200 -8.267 1.091 1.00 0.00 C ATOM 0 H VAL A 20 -1.555 -5.994 -0.581 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.205 -6.561 2.025 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.636 -8.352 -0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.229 -10.139 1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.159 -9.030 1.182 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.016 -8.904 2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.544 -9.283 0.896 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.296 -8.050 2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.806 -7.563 0.521 1.00 0.00 H new ATOM 330 N LEU A 21 2.104 -6.110 1.087 1.00 0.00 N ATOM 331 CA LEU A 21 3.464 -5.869 0.511 1.00 0.00 C ATOM 332 C LEU A 21 4.334 -7.114 0.691 1.00 0.00 C ATOM 333 O LEU A 21 4.535 -7.596 1.788 1.00 0.00 O ATOM 334 CB LEU A 21 4.119 -4.693 1.239 1.00 0.00 C ATOM 335 CG LEU A 21 3.120 -3.539 1.360 1.00 0.00 C ATOM 336 CD1 LEU A 21 3.794 -2.357 2.060 1.00 0.00 C ATOM 337 CD2 LEU A 21 2.655 -3.113 -0.037 1.00 0.00 C ATOM 0 H LEU A 21 2.021 -5.944 2.090 1.00 0.00 H new ATOM 0 HA LEU A 21 3.368 -5.645 -0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.450 -5.005 2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.005 -4.364 0.695 1.00 0.00 H new ATOM 0 HG LEU A 21 2.257 -3.863 1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.085 -1.534 2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.121 -2.661 3.054 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.656 -2.033 1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.944 -2.292 0.051 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.515 -2.788 -0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.175 -3.956 -0.534 1.00 0.00 H new ATOM 349 N GLN A 22 4.855 -7.632 -0.393 1.00 0.00 N ATOM 350 CA GLN A 22 5.723 -8.848 -0.321 1.00 0.00 C ATOM 351 C GLN A 22 7.189 -8.429 -0.434 1.00 0.00 C ATOM 352 O GLN A 22 7.517 -7.446 -1.071 1.00 0.00 O ATOM 353 CB GLN A 22 5.371 -9.785 -1.479 1.00 0.00 C ATOM 354 CG GLN A 22 6.253 -11.033 -1.417 1.00 0.00 C ATOM 355 CD GLN A 22 5.789 -12.040 -2.473 1.00 0.00 C ATOM 356 OE1 GLN A 22 5.435 -13.156 -2.150 1.00 0.00 O ATOM 357 NE2 GLN A 22 5.775 -11.688 -3.729 1.00 0.00 N ATOM 0 H GLN A 22 4.715 -7.261 -1.333 1.00 0.00 H new ATOM 0 HA GLN A 22 5.563 -9.361 0.627 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.320 -10.068 -1.424 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.515 -9.273 -2.431 1.00 0.00 H new ATOM 0 HG2 GLN A 22 7.295 -10.764 -1.589 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.199 -11.480 -0.424 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.072 -10.751 -3.999 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.467 -12.350 -4.441 1.00 0.00 H new ATOM 366 N SER A 23 8.077 -9.169 0.179 1.00 0.00 N ATOM 367 CA SER A 23 9.529 -8.818 0.114 1.00 0.00 C ATOM 368 C SER A 23 10.363 -10.100 0.043 1.00 0.00 C ATOM 369 O SER A 23 10.608 -10.748 1.040 1.00 0.00 O ATOM 370 CB SER A 23 9.917 -8.029 1.365 1.00 0.00 C ATOM 371 OG SER A 23 11.314 -7.760 1.336 1.00 0.00 O ATOM 0 H SER A 23 7.859 -10.004 0.723 1.00 0.00 H new ATOM 0 HA SER A 23 9.717 -8.213 -0.773 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.356 -7.096 1.409 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.663 -8.596 2.260 1.00 0.00 H new ATOM 0 HG SER A 23 11.566 -7.253 2.136 1.00 0.00 H new ATOM 377 N GLY A 24 10.804 -10.465 -1.130 1.00 0.00 N ATOM 378 CA GLY A 24 11.625 -11.702 -1.268 1.00 0.00 C ATOM 379 C GLY A 24 10.738 -12.933 -1.071 1.00 0.00 C ATOM 380 O GLY A 24 10.625 -13.773 -1.941 1.00 0.00 O ATOM 0 H GLY A 24 10.631 -9.960 -1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.092 -11.732 -2.252 1.00 0.00 H new ATOM 0 HA3 GLY A 24 12.430 -11.700 -0.533 1.00 0.00 H new ATOM 384 N ALA A 25 10.111 -13.046 0.067 1.00 0.00 N ATOM 385 CA ALA A 25 9.233 -14.224 0.320 1.00 0.00 C ATOM 386 C ALA A 25 8.266 -13.905 1.462 1.00 0.00 C ATOM 387 O ALA A 25 7.140 -14.365 1.481 1.00 0.00 O ATOM 388 CB ALA A 25 10.094 -15.428 0.703 1.00 0.00 C ATOM 0 H ALA A 25 10.168 -12.374 0.833 1.00 0.00 H new ATOM 0 HA ALA A 25 8.666 -14.454 -0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.453 -16.290 0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.783 -15.656 -0.110 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.661 -15.198 1.605 1.00 0.00 H new ATOM 394 N LEU A 26 8.691 -13.121 2.415 1.00 0.00 N ATOM 395 CA LEU A 26 7.792 -12.775 3.552 1.00 0.00 C ATOM 396 C LEU A 26 6.612 -11.955 3.027 1.00 0.00 C ATOM 397 O LEU A 26 6.585 -11.553 1.881 1.00 0.00 O ATOM 398 CB LEU A 26 8.570 -11.956 4.589 1.00 0.00 C ATOM 399 CG LEU A 26 9.447 -12.886 5.434 1.00 0.00 C ATOM 400 CD1 LEU A 26 10.327 -13.740 4.516 1.00 0.00 C ATOM 401 CD2 LEU A 26 10.335 -12.046 6.355 1.00 0.00 C ATOM 0 H LEU A 26 9.622 -12.705 2.455 1.00 0.00 H new ATOM 0 HA LEU A 26 7.423 -13.687 4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.190 -11.213 4.088 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.877 -11.412 5.231 1.00 0.00 H new ATOM 0 HG LEU A 26 8.812 -13.539 6.033 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.950 -14.400 5.120 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.695 -14.338 3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.964 -13.091 3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.960 -12.705 6.958 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.969 -11.394 5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 26 9.709 -11.440 7.010 1.00 0.00 H new ATOM 413 N GLU A 27 5.634 -11.703 3.859 1.00 0.00 N ATOM 414 CA GLU A 27 4.447 -10.906 3.417 1.00 0.00 C ATOM 415 C GLU A 27 4.029 -9.954 4.538 1.00 0.00 C ATOM 416 O GLU A 27 4.237 -10.223 5.704 1.00 0.00 O ATOM 417 CB GLU A 27 3.288 -11.854 3.094 1.00 0.00 C ATOM 418 CG GLU A 27 3.807 -13.029 2.264 1.00 0.00 C ATOM 419 CD GLU A 27 2.624 -13.813 1.692 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.608 -13.887 2.364 1.00 0.00 O ATOM 421 OE2 GLU A 27 2.755 -14.326 0.593 1.00 0.00 O ATOM 0 H GLU A 27 5.605 -12.016 4.829 1.00 0.00 H new ATOM 0 HA GLU A 27 4.705 -10.331 2.528 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.834 -12.218 4.016 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.511 -11.322 2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.440 -12.665 1.455 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.424 -13.681 2.883 1.00 0.00 H new ATOM 428 N MET A 28 3.442 -8.838 4.193 1.00 0.00 N ATOM 429 CA MET A 28 3.009 -7.858 5.234 1.00 0.00 C ATOM 430 C MET A 28 1.692 -7.210 4.803 1.00 0.00 C ATOM 431 O MET A 28 1.356 -7.196 3.637 1.00 0.00 O ATOM 432 CB MET A 28 4.080 -6.775 5.388 1.00 0.00 C ATOM 433 CG MET A 28 5.448 -7.433 5.576 1.00 0.00 C ATOM 434 SD MET A 28 6.648 -6.187 6.111 1.00 0.00 S ATOM 435 CE MET A 28 8.043 -7.311 6.367 1.00 0.00 C ATOM 0 H MET A 28 3.243 -8.562 3.232 1.00 0.00 H new ATOM 0 HA MET A 28 2.870 -8.372 6.185 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.092 -6.132 4.508 1.00 0.00 H new ATOM 0 HB3 MET A 28 3.850 -6.140 6.243 1.00 0.00 H new ATOM 0 HG2 MET A 28 5.381 -8.231 6.316 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.775 -7.891 4.642 1.00 0.00 H new ATOM 0 HE1 MET A 28 8.910 -6.744 6.706 1.00 0.00 H new ATOM 0 HE2 MET A 28 7.778 -8.054 7.120 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.282 -7.813 5.430 1.00 0.00 H new ATOM 445 N ILE A 29 0.951 -6.665 5.738 1.00 0.00 N ATOM 446 CA ILE A 29 -0.349 -5.996 5.403 1.00 0.00 C ATOM 447 C ILE A 29 -0.296 -4.559 5.917 1.00 0.00 C ATOM 448 O ILE A 29 0.230 -4.294 6.981 1.00 0.00 O ATOM 449 CB ILE A 29 -1.509 -6.744 6.081 1.00 0.00 C ATOM 450 CG1 ILE A 29 -1.719 -8.092 5.383 1.00 0.00 C ATOM 451 CG2 ILE A 29 -2.791 -5.909 5.973 1.00 0.00 C ATOM 452 CD1 ILE A 29 -2.722 -8.934 6.177 1.00 0.00 C ATOM 0 H ILE A 29 1.193 -6.654 6.729 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.507 -6.005 4.325 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.271 -6.908 7.132 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.085 -7.934 4.369 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.770 -8.622 5.301 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.613 -6.440 6.454 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.642 -4.948 6.466 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.031 -5.745 4.922 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.869 -9.892 5.678 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.338 -9.104 7.183 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.674 -8.406 6.236 1.00 0.00 H new ATOM 464 N ALA A 30 -0.823 -3.621 5.174 1.00 0.00 N ATOM 465 CA ALA A 30 -0.779 -2.202 5.635 1.00 0.00 C ATOM 466 C ALA A 30 -2.016 -1.446 5.151 1.00 0.00 C ATOM 467 O ALA A 30 -2.506 -1.662 4.060 1.00 0.00 O ATOM 468 CB ALA A 30 0.477 -1.533 5.074 1.00 0.00 C ATOM 0 H ALA A 30 -1.279 -3.774 4.274 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.760 -2.182 6.725 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.516 -0.496 5.407 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.361 -2.062 5.430 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.450 -1.564 3.985 1.00 0.00 H new ATOM 474 N GLU A 31 -2.513 -0.544 5.958 1.00 0.00 N ATOM 475 CA GLU A 31 -3.706 0.252 5.552 1.00 0.00 C ATOM 476 C GLU A 31 -3.230 1.458 4.741 1.00 0.00 C ATOM 477 O GLU A 31 -2.373 2.204 5.171 1.00 0.00 O ATOM 478 CB GLU A 31 -4.453 0.728 6.797 1.00 0.00 C ATOM 479 CG GLU A 31 -5.238 -0.437 7.403 1.00 0.00 C ATOM 480 CD GLU A 31 -4.274 -1.569 7.763 1.00 0.00 C ATOM 481 OE1 GLU A 31 -3.470 -1.373 8.659 1.00 0.00 O ATOM 482 OE2 GLU A 31 -4.357 -2.614 7.137 1.00 0.00 O ATOM 0 H GLU A 31 -2.142 -0.325 6.883 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.379 -0.359 4.950 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.747 1.123 7.528 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.131 1.541 6.538 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.774 -0.105 8.292 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.986 -0.793 6.694 1.00 0.00 H new ATOM 489 N ILE A 32 -3.762 1.634 3.561 1.00 0.00 N ATOM 490 CA ILE A 32 -3.335 2.769 2.679 1.00 0.00 C ATOM 491 C ILE A 32 -4.482 3.780 2.544 1.00 0.00 C ATOM 492 O ILE A 32 -5.645 3.429 2.551 1.00 0.00 O ATOM 493 CB ILE A 32 -2.956 2.190 1.296 1.00 0.00 C ATOM 494 CG1 ILE A 32 -1.488 1.723 1.299 1.00 0.00 C ATOM 495 CG2 ILE A 32 -3.134 3.241 0.191 1.00 0.00 C ATOM 496 CD1 ILE A 32 -1.189 0.869 2.535 1.00 0.00 C ATOM 0 H ILE A 32 -4.484 1.034 3.162 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.476 3.285 3.109 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.617 1.346 1.099 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.283 1.148 0.396 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.827 2.589 1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -2.861 2.807 -0.771 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.174 3.564 0.161 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.493 4.098 0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.147 0.551 2.514 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.372 1.456 3.435 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.836 -0.008 2.536 1.00 0.00 H new ATOM 508 N GLU A 33 -4.139 5.039 2.410 1.00 0.00 N ATOM 509 CA GLU A 33 -5.170 6.113 2.258 1.00 0.00 C ATOM 510 C GLU A 33 -4.982 6.791 0.898 1.00 0.00 C ATOM 511 O GLU A 33 -4.116 7.626 0.729 1.00 0.00 O ATOM 512 CB GLU A 33 -4.979 7.148 3.370 1.00 0.00 C ATOM 513 CG GLU A 33 -6.216 8.044 3.455 1.00 0.00 C ATOM 514 CD GLU A 33 -6.040 9.050 4.594 1.00 0.00 C ATOM 515 OE1 GLU A 33 -5.182 9.908 4.473 1.00 0.00 O ATOM 516 OE2 GLU A 33 -6.768 8.945 5.567 1.00 0.00 O ATOM 0 H GLU A 33 -3.175 5.372 2.399 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.170 5.685 2.322 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.815 6.646 4.324 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.093 7.751 3.171 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.363 8.569 2.511 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.106 7.438 3.625 1.00 0.00 H new ATOM 523 N ALA A 34 -5.780 6.437 -0.076 1.00 0.00 N ATOM 524 CA ALA A 34 -5.637 7.061 -1.427 1.00 0.00 C ATOM 525 C ALA A 34 -7.008 7.171 -2.092 1.00 0.00 C ATOM 526 O ALA A 34 -8.032 6.950 -1.475 1.00 0.00 O ATOM 527 CB ALA A 34 -4.726 6.191 -2.297 1.00 0.00 C ATOM 0 H ALA A 34 -6.524 5.744 0.005 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.204 8.055 -1.318 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.621 6.645 -3.282 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.745 6.110 -1.829 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.162 5.197 -2.400 1.00 0.00 H new ATOM 533 N CYS A 35 -7.033 7.510 -3.353 1.00 0.00 N ATOM 534 CA CYS A 35 -8.328 7.637 -4.081 1.00 0.00 C ATOM 535 C CYS A 35 -8.117 7.236 -5.541 1.00 0.00 C ATOM 536 O CYS A 35 -9.057 7.014 -6.278 1.00 0.00 O ATOM 537 CB CYS A 35 -8.812 9.087 -4.014 1.00 0.00 C ATOM 538 SG CYS A 35 -10.548 9.169 -4.523 1.00 0.00 S ATOM 0 H CYS A 35 -6.204 7.706 -3.914 1.00 0.00 H new ATOM 0 HA CYS A 35 -9.075 6.988 -3.623 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -8.701 9.472 -3.000 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -8.202 9.716 -4.663 1.00 0.00 H new ATOM 0 HG CYS A 35 -10.748 8.354 -5.516 1.00 0.00 H new ATOM 544 N ARG A 36 -6.885 7.141 -5.962 1.00 0.00 N ATOM 545 CA ARG A 36 -6.606 6.749 -7.370 1.00 0.00 C ATOM 546 C ARG A 36 -6.928 5.265 -7.552 1.00 0.00 C ATOM 547 O ARG A 36 -7.379 4.842 -8.597 1.00 0.00 O ATOM 548 CB ARG A 36 -5.129 6.997 -7.686 1.00 0.00 C ATOM 549 CG ARG A 36 -4.812 8.484 -7.515 1.00 0.00 C ATOM 550 CD ARG A 36 -3.299 8.695 -7.583 1.00 0.00 C ATOM 551 NE ARG A 36 -2.996 10.151 -7.488 1.00 0.00 N ATOM 552 CZ ARG A 36 -3.032 10.752 -6.331 1.00 0.00 C ATOM 553 NH1 ARG A 36 -3.333 10.077 -5.255 1.00 0.00 N ATOM 554 NH2 ARG A 36 -2.767 12.027 -6.249 1.00 0.00 N ATOM 0 H ARG A 36 -6.060 7.319 -5.390 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.223 7.342 -8.045 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.500 6.402 -7.024 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.907 6.682 -8.706 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.306 9.064 -8.295 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.197 8.841 -6.560 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.809 8.157 -6.771 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.906 8.291 -8.516 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.760 10.678 -8.329 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.540 9.080 -5.319 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.361 10.546 -4.350 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -2.532 12.554 -7.090 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.795 12.497 -5.344 1.00 0.00 H new ATOM 568 N LEU A 37 -6.704 4.473 -6.534 1.00 0.00 N ATOM 569 CA LEU A 37 -6.998 3.015 -6.634 1.00 0.00 C ATOM 570 C LEU A 37 -6.484 2.472 -7.970 1.00 0.00 C ATOM 571 O LEU A 37 -6.968 1.478 -8.475 1.00 0.00 O ATOM 572 CB LEU A 37 -8.508 2.805 -6.531 1.00 0.00 C ATOM 573 CG LEU A 37 -9.074 3.694 -5.421 1.00 0.00 C ATOM 574 CD1 LEU A 37 -10.558 3.380 -5.221 1.00 0.00 C ATOM 575 CD2 LEU A 37 -8.317 3.429 -4.114 1.00 0.00 C ATOM 0 H LEU A 37 -6.329 4.777 -5.635 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.499 2.482 -5.825 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.985 3.045 -7.482 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.726 1.758 -6.320 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.958 4.741 -5.702 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.961 4.013 -4.430 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.098 3.570 -6.148 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.674 2.333 -4.941 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -8.721 4.063 -3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.431 2.382 -3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.260 3.654 -4.254 1.00 0.00 H new ATOM 587 N ARG A 38 -5.508 3.121 -8.545 1.00 0.00 N ATOM 588 CA ARG A 38 -4.957 2.653 -9.852 1.00 0.00 C ATOM 589 C ARG A 38 -3.854 1.621 -9.597 1.00 0.00 C ATOM 590 O ARG A 38 -3.175 1.183 -10.505 1.00 0.00 O ATOM 591 CB ARG A 38 -4.379 3.857 -10.612 1.00 0.00 C ATOM 592 CG ARG A 38 -4.303 3.544 -12.113 1.00 0.00 C ATOM 593 CD ARG A 38 -3.354 4.531 -12.797 1.00 0.00 C ATOM 594 NE ARG A 38 -3.568 4.486 -14.271 1.00 0.00 N ATOM 595 CZ ARG A 38 -4.556 5.147 -14.809 1.00 0.00 C ATOM 596 NH1 ARG A 38 -5.359 5.847 -14.054 1.00 0.00 N ATOM 597 NH2 ARG A 38 -4.743 5.108 -16.100 1.00 0.00 N ATOM 0 H ARG A 38 -5.066 3.958 -8.165 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.747 2.193 -10.446 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.003 4.735 -10.447 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.386 4.095 -10.231 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.953 2.523 -12.264 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.295 3.610 -12.559 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -3.531 5.540 -12.424 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.320 4.280 -12.561 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.941 3.938 -14.860 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -5.214 5.877 -13.045 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.132 6.364 -14.473 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.116 4.560 -16.690 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.516 5.625 -16.519 1.00 0.00 H new ATOM 611 N LEU A 39 -3.667 1.230 -8.367 1.00 0.00 N ATOM 612 CA LEU A 39 -2.607 0.231 -8.057 1.00 0.00 C ATOM 613 C LEU A 39 -2.975 -1.113 -8.689 1.00 0.00 C ATOM 614 O LEU A 39 -4.094 -1.325 -9.113 1.00 0.00 O ATOM 615 CB LEU A 39 -2.487 0.070 -6.537 1.00 0.00 C ATOM 616 CG LEU A 39 -1.705 1.249 -5.951 1.00 0.00 C ATOM 617 CD1 LEU A 39 -2.463 2.556 -6.210 1.00 0.00 C ATOM 618 CD2 LEU A 39 -1.536 1.044 -4.444 1.00 0.00 C ATOM 0 H LEU A 39 -4.202 1.559 -7.564 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.654 0.572 -8.461 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.479 0.020 -6.088 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.983 -0.867 -6.300 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.725 1.305 -6.425 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.902 3.391 -5.791 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.582 2.701 -7.284 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.445 2.506 -5.740 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.980 1.881 -4.023 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.517 0.986 -3.972 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.991 0.118 -4.262 1.00 0.00 H new ATOM 630 N ARG A 40 -2.042 -2.025 -8.754 1.00 0.00 N ATOM 631 CA ARG A 40 -2.335 -3.356 -9.358 1.00 0.00 C ATOM 632 C ARG A 40 -1.387 -4.401 -8.767 1.00 0.00 C ATOM 633 O ARG A 40 -0.378 -4.075 -8.175 1.00 0.00 O ATOM 634 CB ARG A 40 -2.133 -3.285 -10.874 1.00 0.00 C ATOM 635 CG ARG A 40 -2.605 -4.590 -11.520 1.00 0.00 C ATOM 636 CD ARG A 40 -2.716 -4.398 -13.034 1.00 0.00 C ATOM 637 NE ARG A 40 -3.269 -5.636 -13.652 1.00 0.00 N ATOM 638 CZ ARG A 40 -4.552 -5.868 -13.611 1.00 0.00 C ATOM 639 NH1 ARG A 40 -5.352 -5.015 -13.032 1.00 0.00 N ATOM 640 NH2 ARG A 40 -5.037 -6.953 -14.151 1.00 0.00 N ATOM 0 H ARG A 40 -1.088 -1.905 -8.414 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.366 -3.635 -9.142 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.689 -2.443 -11.285 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.081 -3.115 -11.103 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.904 -5.394 -11.295 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.570 -4.884 -11.108 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.361 -3.548 -13.257 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.736 -4.174 -13.456 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.644 -6.302 -14.107 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.974 -4.166 -12.611 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.355 -5.197 -13.000 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.413 -7.620 -14.605 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.040 -7.134 -14.119 1.00 0.00 H new ATOM 654 N GLU A 41 -1.705 -5.655 -8.924 1.00 0.00 N ATOM 655 CA GLU A 41 -0.827 -6.724 -8.371 1.00 0.00 C ATOM 656 C GLU A 41 0.509 -6.729 -9.116 1.00 0.00 C ATOM 657 O GLU A 41 0.556 -6.660 -10.328 1.00 0.00 O ATOM 658 CB GLU A 41 -1.511 -8.082 -8.542 1.00 0.00 C ATOM 659 CG GLU A 41 -2.842 -8.084 -7.789 1.00 0.00 C ATOM 660 CD GLU A 41 -3.864 -7.244 -8.557 1.00 0.00 C ATOM 661 OE1 GLU A 41 -3.954 -7.411 -9.762 1.00 0.00 O ATOM 662 OE2 GLU A 41 -4.541 -6.447 -7.926 1.00 0.00 O ATOM 0 H GLU A 41 -2.537 -5.987 -9.412 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.649 -6.535 -7.312 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.680 -8.285 -9.600 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.866 -8.875 -8.164 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.206 -9.105 -7.676 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.705 -7.681 -6.785 1.00 0.00 H new ATOM 669 N GLY A 42 1.600 -6.815 -8.400 1.00 0.00 N ATOM 670 CA GLY A 42 2.937 -6.830 -9.063 1.00 0.00 C ATOM 671 C GLY A 42 3.440 -5.397 -9.254 1.00 0.00 C ATOM 672 O GLY A 42 4.354 -5.148 -10.014 1.00 0.00 O ATOM 0 H GLY A 42 1.622 -6.876 -7.382 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.646 -7.396 -8.459 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.868 -7.332 -10.028 1.00 0.00 H new ATOM 676 N ASP A 43 2.854 -4.452 -8.571 1.00 0.00 N ATOM 677 CA ASP A 43 3.308 -3.039 -8.720 1.00 0.00 C ATOM 678 C ASP A 43 4.618 -2.840 -7.954 1.00 0.00 C ATOM 679 O ASP A 43 4.783 -3.323 -6.849 1.00 0.00 O ATOM 680 CB ASP A 43 2.240 -2.093 -8.161 1.00 0.00 C ATOM 681 CG ASP A 43 2.506 -0.671 -8.656 1.00 0.00 C ATOM 682 OD1 ASP A 43 3.662 -0.348 -8.877 1.00 0.00 O ATOM 683 OD2 ASP A 43 1.550 0.072 -8.807 1.00 0.00 O ATOM 0 H ASP A 43 2.083 -4.596 -7.918 1.00 0.00 H new ATOM 0 HA ASP A 43 3.467 -2.820 -9.776 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.249 -2.420 -8.477 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.252 -2.118 -7.071 1.00 0.00 H new ATOM 688 N LYS A 44 5.552 -2.131 -8.534 1.00 0.00 N ATOM 689 CA LYS A 44 6.859 -1.891 -7.849 1.00 0.00 C ATOM 690 C LYS A 44 6.804 -0.561 -7.095 1.00 0.00 C ATOM 691 O LYS A 44 6.755 0.500 -7.691 1.00 0.00 O ATOM 692 CB LYS A 44 7.976 -1.835 -8.894 1.00 0.00 C ATOM 693 CG LYS A 44 7.827 -3.007 -9.866 1.00 0.00 C ATOM 694 CD LYS A 44 8.990 -2.999 -10.860 1.00 0.00 C ATOM 695 CE LYS A 44 8.779 -4.097 -11.903 1.00 0.00 C ATOM 696 NZ LYS A 44 9.017 -5.429 -11.278 1.00 0.00 N ATOM 0 H LYS A 44 5.466 -1.706 -9.457 1.00 0.00 H new ATOM 0 HA LYS A 44 7.055 -2.700 -7.145 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.933 -0.891 -9.437 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.949 -1.877 -8.404 1.00 0.00 H new ATOM 0 HG2 LYS A 44 7.811 -3.948 -9.317 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.879 -2.933 -10.399 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.058 -2.027 -11.349 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.932 -3.158 -10.335 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.765 -4.046 -12.300 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.458 -3.951 -12.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.041 -6.160 -12.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.926 -5.418 -10.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.250 -5.640 -10.608 1.00 0.00 H new ATOM 710 N LEU A 45 6.810 -0.611 -5.786 1.00 0.00 N ATOM 711 CA LEU A 45 6.756 0.646 -4.974 1.00 0.00 C ATOM 712 C LEU A 45 8.163 0.992 -4.475 1.00 0.00 C ATOM 713 O LEU A 45 8.721 0.308 -3.641 1.00 0.00 O ATOM 714 CB LEU A 45 5.826 0.437 -3.770 1.00 0.00 C ATOM 715 CG LEU A 45 4.605 -0.385 -4.191 1.00 0.00 C ATOM 716 CD1 LEU A 45 3.653 -0.525 -3.001 1.00 0.00 C ATOM 717 CD2 LEU A 45 3.883 0.326 -5.337 1.00 0.00 C ATOM 0 H LEU A 45 6.850 -1.473 -5.241 1.00 0.00 H new ATOM 0 HA LEU A 45 6.377 1.461 -5.591 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.362 -0.075 -2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.507 1.401 -3.374 1.00 0.00 H new ATOM 0 HG LEU A 45 4.927 -1.373 -4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.783 -1.110 -3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.166 -1.029 -2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.331 0.464 -2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.013 -0.259 -5.638 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.560 1.313 -5.007 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.560 0.431 -6.185 1.00 0.00 H new ATOM 729 N THR A 46 8.741 2.053 -4.974 1.00 0.00 N ATOM 730 CA THR A 46 10.109 2.445 -4.524 1.00 0.00 C ATOM 731 C THR A 46 9.990 3.336 -3.278 1.00 0.00 C ATOM 732 O THR A 46 9.010 4.034 -3.111 1.00 0.00 O ATOM 733 CB THR A 46 10.798 3.227 -5.647 1.00 0.00 C ATOM 734 OG1 THR A 46 10.425 4.596 -5.565 1.00 0.00 O ATOM 735 CG2 THR A 46 10.375 2.663 -7.003 1.00 0.00 C ATOM 0 H THR A 46 8.324 2.666 -5.675 1.00 0.00 H new ATOM 0 HA THR A 46 10.693 1.557 -4.284 1.00 0.00 H new ATOM 0 HB THR A 46 11.879 3.135 -5.541 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.866 5.099 -6.282 1.00 0.00 H new ATOM 0 HG21 THR A 46 10.867 3.222 -7.799 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.662 1.613 -7.066 1.00 0.00 H new ATOM 0 HG23 THR A 46 9.294 2.751 -7.113 1.00 0.00 H new ATOM 743 N PRO A 47 10.974 3.324 -2.405 1.00 0.00 N ATOM 744 CA PRO A 47 10.949 4.160 -1.167 1.00 0.00 C ATOM 745 C PRO A 47 11.207 5.642 -1.470 1.00 0.00 C ATOM 746 O PRO A 47 12.132 5.988 -2.178 1.00 0.00 O ATOM 747 CB PRO A 47 12.083 3.569 -0.317 1.00 0.00 C ATOM 748 CG PRO A 47 13.053 3.026 -1.314 1.00 0.00 C ATOM 749 CD PRO A 47 12.212 2.522 -2.491 1.00 0.00 C ATOM 0 HA PRO A 47 9.979 4.138 -0.671 1.00 0.00 H new ATOM 0 HB2 PRO A 47 12.545 4.329 0.313 1.00 0.00 H new ATOM 0 HB3 PRO A 47 11.715 2.786 0.346 1.00 0.00 H new ATOM 0 HG2 PRO A 47 13.753 3.797 -1.637 1.00 0.00 H new ATOM 0 HG3 PRO A 47 13.644 2.218 -0.883 1.00 0.00 H new ATOM 0 HD2 PRO A 47 12.722 2.674 -3.442 1.00 0.00 H new ATOM 0 HD3 PRO A 47 12.005 1.455 -2.407 1.00 0.00 H new ATOM 757 N LEU A 48 10.397 6.519 -0.938 1.00 0.00 N ATOM 758 CA LEU A 48 10.602 7.972 -1.198 1.00 0.00 C ATOM 759 C LEU A 48 11.718 8.493 -0.289 1.00 0.00 C ATOM 760 O LEU A 48 12.845 8.666 -0.710 1.00 0.00 O ATOM 761 CB LEU A 48 9.297 8.729 -0.911 1.00 0.00 C ATOM 762 CG LEU A 48 9.540 10.246 -0.923 1.00 0.00 C ATOM 763 CD1 LEU A 48 10.298 10.647 -2.194 1.00 0.00 C ATOM 764 CD2 LEU A 48 8.191 10.972 -0.883 1.00 0.00 C ATOM 0 H LEU A 48 9.605 6.292 -0.337 1.00 0.00 H new ATOM 0 HA LEU A 48 10.884 8.127 -2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.547 8.469 -1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.900 8.426 0.058 1.00 0.00 H new ATOM 0 HG LEU A 48 10.136 10.522 -0.053 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.465 11.724 -2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.257 10.131 -2.224 1.00 0.00 H new ATOM 0 HD13 LEU A 48 9.711 10.372 -3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.357 12.049 -0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 48 7.600 10.689 -1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.655 10.695 0.025 1.00 0.00 H new ATOM 776 N ALA A 49 11.413 8.745 0.954 1.00 0.00 N ATOM 777 CA ALA A 49 12.455 9.252 1.890 1.00 0.00 C ATOM 778 C ALA A 49 11.907 9.243 3.317 1.00 0.00 C ATOM 779 O ALA A 49 12.513 8.705 4.222 1.00 0.00 O ATOM 780 CB ALA A 49 12.838 10.682 1.501 1.00 0.00 C ATOM 0 H ALA A 49 10.486 8.622 1.362 1.00 0.00 H new ATOM 0 HA ALA A 49 13.335 8.611 1.834 1.00 0.00 H new ATOM 0 HB1 ALA A 49 13.600 11.053 2.186 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.229 10.690 0.484 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.958 11.322 1.556 1.00 0.00 H new ATOM 786 N ASP A 50 10.761 9.833 3.528 1.00 0.00 N ATOM 787 CA ASP A 50 10.174 9.858 4.898 1.00 0.00 C ATOM 788 C ASP A 50 9.438 8.543 5.163 1.00 0.00 C ATOM 789 O ASP A 50 9.594 7.933 6.201 1.00 0.00 O ATOM 790 CB ASP A 50 9.187 11.023 5.008 1.00 0.00 C ATOM 791 CG ASP A 50 8.103 10.876 3.940 1.00 0.00 C ATOM 792 OD1 ASP A 50 8.314 11.356 2.838 1.00 0.00 O ATOM 793 OD2 ASP A 50 7.079 10.284 4.241 1.00 0.00 O ATOM 0 H ASP A 50 10.206 10.299 2.810 1.00 0.00 H new ATOM 0 HA ASP A 50 10.971 9.983 5.631 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.735 11.038 6.000 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.711 11.970 4.882 1.00 0.00 H new ATOM 798 N ALA A 51 8.637 8.101 4.231 1.00 0.00 N ATOM 799 CA ALA A 51 7.892 6.826 4.429 1.00 0.00 C ATOM 800 C ALA A 51 7.060 6.520 3.180 1.00 0.00 C ATOM 801 O ALA A 51 6.941 5.384 2.767 1.00 0.00 O ATOM 802 CB ALA A 51 6.963 6.960 5.641 1.00 0.00 C ATOM 0 H ALA A 51 8.467 8.569 3.341 1.00 0.00 H new ATOM 0 HA ALA A 51 8.600 6.015 4.601 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.418 6.027 5.786 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.554 7.177 6.531 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.255 7.771 5.469 1.00 0.00 H new ATOM 808 N ARG A 52 6.482 7.523 2.580 1.00 0.00 N ATOM 809 CA ARG A 52 5.657 7.285 1.362 1.00 0.00 C ATOM 810 C ARG A 52 6.473 6.494 0.339 1.00 0.00 C ATOM 811 O ARG A 52 7.682 6.416 0.427 1.00 0.00 O ATOM 812 CB ARG A 52 5.244 8.627 0.754 1.00 0.00 C ATOM 813 CG ARG A 52 4.606 9.506 1.832 1.00 0.00 C ATOM 814 CD ARG A 52 4.183 10.841 1.215 1.00 0.00 C ATOM 815 NE ARG A 52 3.514 11.677 2.252 1.00 0.00 N ATOM 816 CZ ARG A 52 4.217 12.217 3.209 1.00 0.00 C ATOM 817 NH1 ARG A 52 5.506 12.022 3.261 1.00 0.00 N ATOM 818 NH2 ARG A 52 3.631 12.951 4.114 1.00 0.00 N ATOM 0 H ARG A 52 6.545 8.496 2.880 1.00 0.00 H new ATOM 0 HA ARG A 52 4.766 6.719 1.633 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.114 9.128 0.330 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.539 8.466 -0.062 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.741 9.002 2.263 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.313 9.676 2.644 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.054 11.363 0.818 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.506 10.669 0.378 1.00 0.00 H new ATOM 0 HE ARG A 52 2.506 11.827 2.213 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.964 11.447 2.553 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.056 12.444 4.009 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.623 13.103 4.073 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.181 13.373 4.862 1.00 0.00 H new ATOM 832 N TYR A 53 5.817 5.908 -0.633 1.00 0.00 N ATOM 833 CA TYR A 53 6.539 5.116 -1.680 1.00 0.00 C ATOM 834 C TYR A 53 6.099 5.595 -3.064 1.00 0.00 C ATOM 835 O TYR A 53 4.968 5.992 -3.261 1.00 0.00 O ATOM 836 CB TYR A 53 6.195 3.634 -1.527 1.00 0.00 C ATOM 837 CG TYR A 53 6.651 3.142 -0.173 1.00 0.00 C ATOM 838 CD1 TYR A 53 5.857 3.367 0.958 1.00 0.00 C ATOM 839 CD2 TYR A 53 7.867 2.459 -0.051 1.00 0.00 C ATOM 840 CE1 TYR A 53 6.279 2.910 2.212 1.00 0.00 C ATOM 841 CE2 TYR A 53 8.289 2.002 1.204 1.00 0.00 C ATOM 842 CZ TYR A 53 7.496 2.227 2.334 1.00 0.00 C ATOM 843 OH TYR A 53 7.912 1.776 3.571 1.00 0.00 O ATOM 0 H TYR A 53 4.804 5.944 -0.747 1.00 0.00 H new ATOM 0 HA TYR A 53 7.614 5.254 -1.565 1.00 0.00 H new ATOM 0 HB2 TYR A 53 5.120 3.487 -1.635 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.676 3.056 -2.316 1.00 0.00 H new ATOM 0 HD1 TYR A 53 4.919 3.893 0.863 1.00 0.00 H new ATOM 0 HD2 TYR A 53 8.479 2.285 -0.924 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.667 3.084 3.085 1.00 0.00 H new ATOM 0 HE2 TYR A 53 9.227 1.476 1.299 1.00 0.00 H new ATOM 0 HH TYR A 53 8.776 1.322 3.480 1.00 0.00 H new ATOM 853 N CYS A 54 6.989 5.559 -4.024 1.00 0.00 N ATOM 854 CA CYS A 54 6.642 6.009 -5.409 1.00 0.00 C ATOM 855 C CYS A 54 6.504 4.786 -6.316 1.00 0.00 C ATOM 856 O CYS A 54 7.401 3.973 -6.412 1.00 0.00 O ATOM 857 CB CYS A 54 7.758 6.909 -5.942 1.00 0.00 C ATOM 858 SG CYS A 54 8.131 8.194 -4.723 1.00 0.00 S ATOM 0 H CYS A 54 7.949 5.235 -3.907 1.00 0.00 H new ATOM 0 HA CYS A 54 5.702 6.561 -5.391 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.650 6.317 -6.147 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.454 7.364 -6.885 1.00 0.00 H new ATOM 0 HG CYS A 54 9.081 8.958 -5.175 1.00 0.00 H new ATOM 864 N LEU A 55 5.389 4.646 -6.985 1.00 0.00 N ATOM 865 CA LEU A 55 5.204 3.471 -7.887 1.00 0.00 C ATOM 866 C LEU A 55 5.690 3.831 -9.290 1.00 0.00 C ATOM 867 O LEU A 55 5.576 4.960 -9.724 1.00 0.00 O ATOM 868 CB LEU A 55 3.718 3.077 -7.931 1.00 0.00 C ATOM 869 CG LEU A 55 2.834 4.287 -8.345 1.00 0.00 C ATOM 870 CD1 LEU A 55 2.512 4.230 -9.847 1.00 0.00 C ATOM 871 CD2 LEU A 55 1.514 4.260 -7.560 1.00 0.00 C ATOM 0 H LEU A 55 4.601 5.292 -6.946 1.00 0.00 H new ATOM 0 HA LEU A 55 5.781 2.627 -7.510 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.575 2.259 -8.637 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.406 2.711 -6.953 1.00 0.00 H new ATOM 0 HG LEU A 55 3.384 5.202 -8.126 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.892 5.085 -10.119 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.439 4.257 -10.419 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.976 3.308 -10.069 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.898 5.110 -7.854 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.981 3.334 -7.776 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.725 4.317 -6.492 1.00 0.00 H new ATOM 883 N ASN A 56 6.238 2.883 -10.000 1.00 0.00 N ATOM 884 CA ASN A 56 6.735 3.175 -11.375 1.00 0.00 C ATOM 885 C ASN A 56 7.744 4.324 -11.319 1.00 0.00 C ATOM 886 O ASN A 56 8.085 4.914 -12.325 1.00 0.00 O ATOM 887 CB ASN A 56 5.560 3.562 -12.276 1.00 0.00 C ATOM 888 CG ASN A 56 6.020 3.583 -13.735 1.00 0.00 C ATOM 889 OD1 ASN A 56 5.905 4.590 -14.405 1.00 0.00 O ATOM 890 ND2 ASN A 56 6.539 2.507 -14.258 1.00 0.00 N ATOM 0 H ASN A 56 6.363 1.920 -9.688 1.00 0.00 H new ATOM 0 HA ASN A 56 7.220 2.288 -11.782 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.743 2.851 -12.151 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.176 4.542 -11.991 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.849 2.511 -15.230 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.635 1.662 -13.695 1.00 0.00 H new ATOM 897 N ASN A 57 8.228 4.637 -10.148 1.00 0.00 N ATOM 898 CA ASN A 57 9.225 5.737 -10.006 1.00 0.00 C ATOM 899 C ASN A 57 8.623 7.071 -10.464 1.00 0.00 C ATOM 900 O ASN A 57 9.275 7.857 -11.122 1.00 0.00 O ATOM 901 CB ASN A 57 10.466 5.419 -10.848 1.00 0.00 C ATOM 902 CG ASN A 57 10.818 3.937 -10.702 1.00 0.00 C ATOM 903 OD1 ASN A 57 10.183 3.220 -9.953 1.00 0.00 O ATOM 904 ND2 ASN A 57 11.810 3.443 -11.389 1.00 0.00 N ATOM 0 H ASN A 57 7.973 4.174 -9.276 1.00 0.00 H new ATOM 0 HA ASN A 57 9.505 5.821 -8.956 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.279 5.657 -11.895 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.305 6.036 -10.526 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.052 2.456 -11.298 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.344 4.043 -12.018 1.00 0.00 H new ATOM 911 N ASN A 58 7.387 7.336 -10.110 1.00 0.00 N ATOM 912 CA ASN A 58 6.730 8.623 -10.505 1.00 0.00 C ATOM 913 C ASN A 58 6.283 9.359 -9.229 1.00 0.00 C ATOM 914 O ASN A 58 5.192 9.140 -8.741 1.00 0.00 O ATOM 915 CB ASN A 58 5.503 8.316 -11.369 1.00 0.00 C ATOM 916 CG ASN A 58 5.874 7.290 -12.440 1.00 0.00 C ATOM 917 OD1 ASN A 58 7.130 7.108 -12.747 1.00 0.00 O flip ATOM 918 ND2 ASN A 58 5.012 6.651 -13.010 1.00 0.00 N flip ATOM 0 H ASN A 58 6.800 6.709 -9.559 1.00 0.00 H new ATOM 0 HA ASN A 58 7.427 9.243 -11.069 1.00 0.00 H new ATOM 0 HB2 ASN A 58 4.695 7.931 -10.747 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.138 9.230 -11.837 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.030 6.792 -12.771 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.270 5.973 -13.727 1.00 0.00 H new ATOM 925 N PRO A 59 7.121 10.215 -8.679 1.00 0.00 N ATOM 926 CA PRO A 59 6.798 10.975 -7.429 1.00 0.00 C ATOM 927 C PRO A 59 5.396 11.601 -7.445 1.00 0.00 C ATOM 928 O PRO A 59 4.958 12.185 -6.474 1.00 0.00 O ATOM 929 CB PRO A 59 7.880 12.060 -7.383 1.00 0.00 C ATOM 930 CG PRO A 59 9.052 11.446 -8.075 1.00 0.00 C ATOM 931 CD PRO A 59 8.469 10.556 -9.177 1.00 0.00 C ATOM 0 HA PRO A 59 6.789 10.323 -6.556 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.553 12.969 -7.887 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.124 12.335 -6.357 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.703 12.212 -8.495 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.655 10.862 -7.379 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.422 11.080 -10.131 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.075 9.664 -9.333 1.00 0.00 H new ATOM 939 N THR A 60 4.688 11.483 -8.534 1.00 0.00 N ATOM 940 CA THR A 60 3.316 12.066 -8.606 1.00 0.00 C ATOM 941 C THR A 60 2.316 11.078 -7.996 1.00 0.00 C ATOM 942 O THR A 60 1.457 11.445 -7.218 1.00 0.00 O ATOM 943 CB THR A 60 2.951 12.322 -10.076 1.00 0.00 C ATOM 944 OG1 THR A 60 1.545 12.199 -10.240 1.00 0.00 O ATOM 945 CG2 THR A 60 3.663 11.301 -10.971 1.00 0.00 C ATOM 0 H THR A 60 5.000 11.007 -9.380 1.00 0.00 H new ATOM 0 HA THR A 60 3.285 13.005 -8.054 1.00 0.00 H new ATOM 0 HB THR A 60 3.265 13.327 -10.358 1.00 0.00 H new ATOM 0 HG1 THR A 60 1.280 11.265 -10.105 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.402 11.486 -12.013 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.741 11.396 -10.845 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.353 10.294 -10.692 1.00 0.00 H new ATOM 953 N GLN A 61 2.427 9.824 -8.346 1.00 0.00 N ATOM 954 CA GLN A 61 1.497 8.785 -7.801 1.00 0.00 C ATOM 955 C GLN A 61 2.153 8.099 -6.600 1.00 0.00 C ATOM 956 O GLN A 61 2.477 6.929 -6.648 1.00 0.00 O ATOM 957 CB GLN A 61 1.194 7.742 -8.879 1.00 0.00 C ATOM 958 CG GLN A 61 0.890 8.441 -10.205 1.00 0.00 C ATOM 959 CD GLN A 61 -0.224 9.469 -10.000 1.00 0.00 C ATOM 960 OE1 GLN A 61 0.012 10.543 -9.483 1.00 0.00 O ATOM 961 NE2 GLN A 61 -1.438 9.183 -10.387 1.00 0.00 N ATOM 0 H GLN A 61 3.130 9.469 -8.994 1.00 0.00 H new ATOM 0 HA GLN A 61 0.567 9.261 -7.491 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.045 7.071 -8.998 1.00 0.00 H new ATOM 0 HB3 GLN A 61 0.344 7.130 -8.577 1.00 0.00 H new ATOM 0 HG2 GLN A 61 1.787 8.932 -10.583 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.589 7.708 -10.953 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.636 8.281 -10.821 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -2.188 9.861 -10.255 1.00 0.00 H new ATOM 970 N THR A 62 2.376 8.818 -5.531 1.00 0.00 N ATOM 971 CA THR A 62 3.039 8.201 -4.339 1.00 0.00 C ATOM 972 C THR A 62 1.976 7.711 -3.357 1.00 0.00 C ATOM 973 O THR A 62 0.912 8.283 -3.229 1.00 0.00 O ATOM 974 CB THR A 62 3.921 9.248 -3.646 1.00 0.00 C ATOM 975 OG1 THR A 62 3.146 9.959 -2.691 1.00 0.00 O ATOM 976 CG2 THR A 62 4.472 10.224 -4.684 1.00 0.00 C ATOM 0 H THR A 62 2.129 9.803 -5.430 1.00 0.00 H new ATOM 0 HA THR A 62 3.652 7.360 -4.663 1.00 0.00 H new ATOM 0 HB THR A 62 4.750 8.749 -3.145 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.708 10.627 -2.246 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.098 10.966 -4.189 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.067 9.678 -5.417 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.645 10.724 -5.188 1.00 0.00 H new ATOM 984 N LEU A 63 2.259 6.628 -2.683 1.00 0.00 N ATOM 985 CA LEU A 63 1.283 6.041 -1.718 1.00 0.00 C ATOM 986 C LEU A 63 1.658 6.449 -0.286 1.00 0.00 C ATOM 987 O LEU A 63 2.790 6.790 -0.007 1.00 0.00 O ATOM 988 CB LEU A 63 1.344 4.507 -1.870 1.00 0.00 C ATOM 989 CG LEU A 63 -0.022 3.861 -1.579 1.00 0.00 C ATOM 990 CD1 LEU A 63 -1.065 4.280 -2.642 1.00 0.00 C ATOM 991 CD2 LEU A 63 0.151 2.331 -1.589 1.00 0.00 C ATOM 0 H LEU A 63 3.139 6.118 -2.762 1.00 0.00 H new ATOM 0 HA LEU A 63 0.274 6.402 -1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.661 4.252 -2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.093 4.102 -1.189 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.381 4.195 -0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.023 3.812 -2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.180 5.364 -2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.728 3.960 -3.628 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.808 1.855 -1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.513 2.012 -2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.871 2.041 -0.823 1.00 0.00 H new ATOM 1003 N LYS A 64 0.709 6.411 0.623 1.00 0.00 N ATOM 1004 CA LYS A 64 0.988 6.789 2.047 1.00 0.00 C ATOM 1005 C LYS A 64 0.621 5.617 2.959 1.00 0.00 C ATOM 1006 O LYS A 64 -0.406 4.990 2.795 1.00 0.00 O ATOM 1007 CB LYS A 64 0.139 8.003 2.427 1.00 0.00 C ATOM 1008 CG LYS A 64 0.482 9.179 1.509 1.00 0.00 C ATOM 1009 CD LYS A 64 -0.070 10.475 2.109 1.00 0.00 C ATOM 1010 CE LYS A 64 -0.075 11.574 1.044 1.00 0.00 C ATOM 1011 NZ LYS A 64 1.324 11.860 0.618 1.00 0.00 N ATOM 0 H LYS A 64 -0.254 6.132 0.437 1.00 0.00 H new ATOM 0 HA LYS A 64 2.045 7.031 2.160 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.920 7.759 2.342 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.321 8.275 3.467 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.562 9.254 1.386 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.059 9.016 0.518 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.081 10.313 2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.539 10.782 2.959 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.671 11.261 0.186 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.537 12.478 1.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.345 12.044 -0.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.678 12.695 1.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.927 11.041 0.835 1.00 0.00 H new ATOM 1025 N ILE A 65 1.453 5.313 3.922 1.00 0.00 N ATOM 1026 CA ILE A 65 1.150 4.180 4.847 1.00 0.00 C ATOM 1027 C ILE A 65 0.425 4.705 6.086 1.00 0.00 C ATOM 1028 O ILE A 65 0.721 5.774 6.584 1.00 0.00 O ATOM 1029 CB ILE A 65 2.453 3.503 5.281 1.00 0.00 C ATOM 1030 CG1 ILE A 65 3.435 4.557 5.800 1.00 0.00 C ATOM 1031 CG2 ILE A 65 3.074 2.773 4.091 1.00 0.00 C ATOM 1032 CD1 ILE A 65 4.700 3.869 6.322 1.00 0.00 C ATOM 0 H ILE A 65 2.329 5.801 4.108 1.00 0.00 H new ATOM 0 HA ILE A 65 0.517 3.460 4.329 1.00 0.00 H new ATOM 0 HB ILE A 65 2.237 2.787 6.074 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.691 5.254 5.002 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.971 5.140 6.596 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.001 2.292 4.403 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.379 2.018 3.724 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.286 3.488 3.296 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.397 4.621 6.691 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.437 3.190 7.133 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.168 3.306 5.514 1.00 0.00 H new ATOM 1044 N ARG A 66 -0.520 3.951 6.591 1.00 0.00 N ATOM 1045 CA ARG A 66 -1.277 4.377 7.811 1.00 0.00 C ATOM 1046 C ARG A 66 -0.907 3.439 8.962 1.00 0.00 C ATOM 1047 O ARG A 66 -0.898 3.826 10.114 1.00 0.00 O ATOM 1048 CB ARG A 66 -2.782 4.283 7.526 1.00 0.00 C ATOM 1049 CG ARG A 66 -3.590 4.551 8.804 1.00 0.00 C ATOM 1050 CD ARG A 66 -3.181 5.897 9.409 1.00 0.00 C ATOM 1051 NE ARG A 66 -2.911 6.871 8.313 1.00 0.00 N ATOM 1052 CZ ARG A 66 -2.188 7.933 8.546 1.00 0.00 C ATOM 1053 NH1 ARG A 66 -1.702 8.143 9.738 1.00 0.00 N ATOM 1054 NH2 ARG A 66 -1.953 8.785 7.586 1.00 0.00 N ATOM 0 H ARG A 66 -0.803 3.049 6.207 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.027 5.404 8.077 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.058 5.004 6.757 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.023 3.294 7.137 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.656 4.554 8.576 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.420 3.752 9.526 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -3.973 6.272 10.057 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.293 5.775 10.029 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.291 6.708 7.381 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.887 7.477 10.489 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.137 8.973 9.920 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.334 8.621 6.654 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.388 9.615 7.767 1.00 0.00 H new ATOM 1068 N ASN A 67 -0.595 2.208 8.653 1.00 0.00 N ATOM 1069 CA ASN A 67 -0.218 1.237 9.719 1.00 0.00 C ATOM 1070 C ASN A 67 0.229 -0.077 9.072 1.00 0.00 C ATOM 1071 O ASN A 67 -0.583 -0.886 8.668 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.427 0.972 10.622 1.00 0.00 C ATOM 1073 CG ASN A 67 -1.082 -0.127 11.629 1.00 0.00 C ATOM 1074 OD1 ASN A 67 0.023 -0.184 12.130 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -1.990 -1.009 11.950 1.00 0.00 N ATOM 0 H ASN A 67 -0.585 1.833 7.704 1.00 0.00 H new ATOM 0 HA ASN A 67 0.597 1.649 10.314 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.709 1.885 11.147 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -2.285 0.672 10.020 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -1.771 -1.745 12.621 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.918 -0.962 11.530 1.00 0.00 H new ATOM 1082 N ALA A 68 1.514 -0.295 8.968 1.00 0.00 N ATOM 1083 CA ALA A 68 2.009 -1.557 8.345 1.00 0.00 C ATOM 1084 C ALA A 68 1.959 -2.693 9.368 1.00 0.00 C ATOM 1085 O ALA A 68 2.034 -2.473 10.560 1.00 0.00 O ATOM 1086 CB ALA A 68 3.452 -1.369 7.874 1.00 0.00 C ATOM 0 H ALA A 68 2.241 0.346 9.287 1.00 0.00 H new ATOM 0 HA ALA A 68 1.376 -1.804 7.493 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.810 -2.293 7.420 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.493 -0.564 7.140 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.083 -1.116 8.726 1.00 0.00 H new ATOM 1092 N THR A 69 1.835 -3.910 8.908 1.00 0.00 N ATOM 1093 CA THR A 69 1.785 -5.073 9.845 1.00 0.00 C ATOM 1094 C THR A 69 2.444 -6.282 9.180 1.00 0.00 C ATOM 1095 O THR A 69 2.305 -6.502 7.994 1.00 0.00 O ATOM 1096 CB THR A 69 0.326 -5.399 10.177 1.00 0.00 C ATOM 1097 OG1 THR A 69 -0.397 -5.603 8.972 1.00 0.00 O ATOM 1098 CG2 THR A 69 -0.297 -4.239 10.958 1.00 0.00 C ATOM 0 H THR A 69 1.766 -4.150 7.919 1.00 0.00 H new ATOM 0 HA THR A 69 2.316 -4.828 10.765 1.00 0.00 H new ATOM 0 HB THR A 69 0.286 -6.303 10.784 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.159 -5.340 8.209 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.335 -4.474 11.193 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.258 -4.084 11.883 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.258 -3.332 10.355 1.00 0.00 H new ATOM 1106 N HIS A 70 3.169 -7.062 9.934 1.00 0.00 N ATOM 1107 CA HIS A 70 3.845 -8.251 9.344 1.00 0.00 C ATOM 1108 C HIS A 70 2.810 -9.328 9.013 1.00 0.00 C ATOM 1109 O HIS A 70 2.909 -10.454 9.459 1.00 0.00 O ATOM 1110 CB HIS A 70 4.857 -8.809 10.346 1.00 0.00 C ATOM 1111 CG HIS A 70 5.793 -7.714 10.777 1.00 0.00 C ATOM 1112 ND1 HIS A 70 5.333 -6.487 11.234 1.00 0.00 N ATOM 1113 CD2 HIS A 70 7.163 -7.643 10.828 1.00 0.00 C ATOM 1114 CE1 HIS A 70 6.409 -5.737 11.537 1.00 0.00 C ATOM 1115 NE2 HIS A 70 7.546 -6.396 11.307 1.00 0.00 N ATOM 0 H HIS A 70 3.322 -6.927 10.933 1.00 0.00 H new ATOM 0 HA HIS A 70 4.358 -7.955 8.429 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.338 -9.220 11.212 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.420 -9.626 9.894 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.839 -8.434 10.540 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.358 -4.728 11.919 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.497 -6.056 11.452 1.00 0.00 H new ATOM 1124 N TYR A 71 1.819 -8.996 8.231 1.00 0.00 N ATOM 1125 CA TYR A 71 0.787 -10.008 7.872 1.00 0.00 C ATOM 1126 C TYR A 71 0.263 -10.663 9.151 1.00 0.00 C ATOM 1127 O TYR A 71 0.266 -11.869 9.294 1.00 0.00 O ATOM 1128 CB TYR A 71 1.413 -11.066 6.955 1.00 0.00 C ATOM 1129 CG TYR A 71 0.419 -12.176 6.691 1.00 0.00 C ATOM 1130 CD1 TYR A 71 -0.697 -11.934 5.884 1.00 0.00 C ATOM 1131 CD2 TYR A 71 0.616 -13.447 7.250 1.00 0.00 C ATOM 1132 CE1 TYR A 71 -1.617 -12.960 5.634 1.00 0.00 C ATOM 1133 CE2 TYR A 71 -0.303 -14.472 7.000 1.00 0.00 C ATOM 1134 CZ TYR A 71 -1.420 -14.228 6.192 1.00 0.00 C ATOM 1135 OH TYR A 71 -2.327 -15.239 5.946 1.00 0.00 O ATOM 0 H TYR A 71 1.680 -8.070 7.826 1.00 0.00 H new ATOM 0 HA TYR A 71 -0.041 -9.529 7.349 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.718 -10.609 6.014 1.00 0.00 H new ATOM 0 HB3 TYR A 71 2.312 -11.474 7.417 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.850 -10.955 5.453 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.477 -13.635 7.874 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -2.479 -12.772 5.010 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -0.151 -15.451 7.430 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.235 -14.911 6.111 1.00 0.00 H new ATOM 1145 N SER A 72 -0.187 -9.872 10.087 1.00 0.00 N ATOM 1146 CA SER A 72 -0.711 -10.443 11.358 1.00 0.00 C ATOM 1147 C SER A 72 -1.972 -11.256 11.067 1.00 0.00 C ATOM 1148 O SER A 72 -2.669 -11.015 10.101 1.00 0.00 O ATOM 1149 CB SER A 72 -1.047 -9.309 12.326 1.00 0.00 C ATOM 1150 OG SER A 72 0.150 -8.645 12.706 1.00 0.00 O ATOM 0 H SER A 72 -0.214 -8.854 10.025 1.00 0.00 H new ATOM 0 HA SER A 72 0.044 -11.090 11.806 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.733 -8.605 11.855 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.552 -9.705 13.207 1.00 0.00 H new ATOM 0 HG SER A 72 -0.063 -7.916 13.326 1.00 0.00 H new ATOM 1156 N SER A 73 -2.271 -12.220 11.893 1.00 0.00 N ATOM 1157 CA SER A 73 -3.487 -13.048 11.660 1.00 0.00 C ATOM 1158 C SER A 73 -4.736 -12.182 11.833 1.00 0.00 C ATOM 1159 O SER A 73 -5.768 -12.445 11.251 1.00 0.00 O ATOM 1160 CB SER A 73 -3.520 -14.196 12.669 1.00 0.00 C ATOM 1161 OG SER A 73 -3.696 -13.667 13.977 1.00 0.00 O ATOM 0 H SER A 73 -1.726 -12.470 12.718 1.00 0.00 H new ATOM 0 HA SER A 73 -3.463 -13.452 10.648 1.00 0.00 H new ATOM 0 HB2 SER A 73 -4.332 -14.883 12.430 1.00 0.00 H new ATOM 0 HB3 SER A 73 -2.593 -14.768 12.617 1.00 0.00 H new ATOM 0 HG SER A 73 -3.719 -14.401 14.626 1.00 0.00 H new ATOM 1167 N GLU A 74 -4.654 -11.153 12.628 1.00 0.00 N ATOM 1168 CA GLU A 74 -5.843 -10.277 12.835 1.00 0.00 C ATOM 1169 C GLU A 74 -6.106 -9.456 11.570 1.00 0.00 C ATOM 1170 O GLU A 74 -7.192 -9.470 11.024 1.00 0.00 O ATOM 1171 CB GLU A 74 -5.580 -9.335 14.015 1.00 0.00 C ATOM 1172 CG GLU A 74 -6.901 -8.727 14.494 1.00 0.00 C ATOM 1173 CD GLU A 74 -7.740 -9.804 15.184 1.00 0.00 C ATOM 1174 OE1 GLU A 74 -7.184 -10.537 15.985 1.00 0.00 O ATOM 1175 OE2 GLU A 74 -8.924 -9.877 14.901 1.00 0.00 O ATOM 0 H GLU A 74 -3.817 -10.880 13.143 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.716 -10.894 13.049 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.103 -9.881 14.829 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.892 -8.544 13.715 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -6.706 -7.906 15.184 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -7.449 -8.310 13.649 1.00 0.00 H new ATOM 1182 N ARG A 75 -5.123 -8.737 11.100 1.00 0.00 N ATOM 1183 CA ARG A 75 -5.318 -7.914 9.872 1.00 0.00 C ATOM 1184 C ARG A 75 -5.703 -8.823 8.698 1.00 0.00 C ATOM 1185 O ARG A 75 -6.448 -8.434 7.821 1.00 0.00 O ATOM 1186 CB ARG A 75 -4.010 -7.170 9.546 1.00 0.00 C ATOM 1187 CG ARG A 75 -3.926 -5.870 10.359 1.00 0.00 C ATOM 1188 CD ARG A 75 -4.038 -6.169 11.863 1.00 0.00 C ATOM 1189 NE ARG A 75 -5.475 -6.161 12.263 1.00 0.00 N ATOM 1190 CZ ARG A 75 -5.805 -5.973 13.512 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -4.877 -5.803 14.414 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -7.062 -5.956 13.858 1.00 0.00 N ATOM 0 H ARG A 75 -4.192 -8.684 11.514 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.116 -7.191 10.040 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.154 -7.806 9.773 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.966 -6.945 8.480 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.983 -5.364 10.152 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.724 -5.192 10.056 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.592 -7.138 12.087 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.485 -5.424 12.435 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.200 -6.303 11.560 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.894 -5.817 14.143 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.135 -5.656 15.390 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.787 -6.090 13.153 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.320 -5.809 14.834 1.00 0.00 H new ATOM 1206 N TRP A 76 -5.198 -10.024 8.671 1.00 0.00 N ATOM 1207 CA TRP A 76 -5.531 -10.947 7.548 1.00 0.00 C ATOM 1208 C TRP A 76 -6.914 -11.566 7.777 1.00 0.00 C ATOM 1209 O TRP A 76 -7.771 -11.524 6.916 1.00 0.00 O ATOM 1210 CB TRP A 76 -4.468 -12.049 7.468 1.00 0.00 C ATOM 1211 CG TRP A 76 -4.885 -13.090 6.476 1.00 0.00 C ATOM 1212 CD1 TRP A 76 -5.157 -14.382 6.775 1.00 0.00 C ATOM 1213 CD2 TRP A 76 -5.084 -12.953 5.038 1.00 0.00 C ATOM 1214 NE1 TRP A 76 -5.508 -15.045 5.614 1.00 0.00 N ATOM 1215 CE2 TRP A 76 -5.478 -14.208 4.517 1.00 0.00 C ATOM 1216 CE3 TRP A 76 -4.961 -11.874 4.144 1.00 0.00 C ATOM 1217 CZ2 TRP A 76 -5.742 -14.386 3.158 1.00 0.00 C ATOM 1218 CZ3 TRP A 76 -5.226 -12.050 2.775 1.00 0.00 C ATOM 1219 CH2 TRP A 76 -5.615 -13.304 2.284 1.00 0.00 C ATOM 0 H TRP A 76 -4.569 -10.407 9.377 1.00 0.00 H new ATOM 0 HA TRP A 76 -5.547 -10.391 6.610 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -3.509 -11.620 7.177 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.329 -12.504 8.449 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -5.108 -14.823 7.760 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -5.759 -16.033 5.573 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.661 -10.904 4.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -6.042 -15.354 2.785 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.129 -11.214 2.098 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -5.816 -13.433 1.231 1.00 0.00 H new