USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 487 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 24 MET CE :methyl -136:sc= -5.95! (180deg=-8.02!) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= -0.355 USER MOD Set 2.1: A 1 LEU N :NH3+ -106:sc= 0.447 (180deg=0) USER MOD Set 2.2: A 19 ASN : amide:sc= -0.267 K(o=0.18,f=-4.4!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -2.96! C(o=-3!,f=-9.3!) USER MOD Single : A 5 LYS NZ :NH3+ -105:sc= -0.202 (180deg=-1.35!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.00142 USER MOD Single : A 35 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.123) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -3.08! C(o=-3.1!,f=-10!) USER MOD Single : A 46 SER OG : rot -31:sc= 0.485 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.62) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.92! USER MOD Single : A 60 ASN : amide:sc= -0.622! C(o=-0.62!,f=-16!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.677 12.103 -2.260 1.00 0.00 N ATOM 2 CA LEU A 1 5.631 11.145 -1.170 1.00 0.00 C ATOM 3 C LEU A 1 6.508 9.940 -1.518 1.00 0.00 C ATOM 4 O LEU A 1 6.633 9.576 -2.686 1.00 0.00 O ATOM 5 CB LEU A 1 4.184 10.776 -0.839 1.00 0.00 C ATOM 6 CG LEU A 1 3.681 11.202 0.541 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.377 11.996 0.429 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.538 9.994 1.470 1.00 0.00 C ATOM 0 H1 LEU A 1 6.261 12.917 -1.982 1.00 0.00 H new ATOM 0 H2 LEU A 1 6.090 11.652 -3.101 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.713 12.427 -2.479 1.00 0.00 H new ATOM 0 HA LEU A 1 6.039 11.585 -0.260 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.535 11.221 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.077 9.695 -0.925 1.00 0.00 H new ATOM 0 HG LEU A 1 4.424 11.864 0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.041 12.287 1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.546 12.889 -0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.614 11.378 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.179 10.325 2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.827 9.288 1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.507 9.508 1.586 1.00 0.00 H new ATOM 20 N LYS A 2 7.093 9.355 -0.483 1.00 0.00 N ATOM 21 CA LYS A 2 7.955 8.199 -0.664 1.00 0.00 C ATOM 22 C LYS A 2 7.203 6.936 -0.240 1.00 0.00 C ATOM 23 O LYS A 2 6.896 6.760 0.938 1.00 0.00 O ATOM 24 CB LYS A 2 9.283 8.401 0.067 1.00 0.00 C ATOM 25 CG LYS A 2 10.002 9.654 -0.438 1.00 0.00 C ATOM 26 CD LYS A 2 11.436 9.715 0.095 1.00 0.00 C ATOM 27 CE LYS A 2 12.442 9.825 -1.053 1.00 0.00 C ATOM 28 NZ LYS A 2 13.017 11.187 -1.110 1.00 0.00 N ATOM 0 H LYS A 2 6.987 9.660 0.484 1.00 0.00 H new ATOM 0 HA LYS A 2 8.214 8.077 -1.716 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.103 8.488 1.139 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.919 7.528 -0.080 1.00 0.00 H new ATOM 0 HG2 LYS A 2 10.015 9.656 -1.528 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.455 10.543 -0.124 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.544 10.571 0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.647 8.823 0.685 1.00 0.00 H new ATOM 0 HE2 LYS A 2 13.238 9.093 -0.918 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.951 9.591 -1.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 13.697 11.244 -1.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 12.256 11.879 -1.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.503 11.397 -0.215 1.00 0.00 H new ATOM 42 N CYS A 3 6.930 6.090 -1.222 1.00 0.00 N ATOM 43 CA CYS A 3 6.220 4.848 -0.964 1.00 0.00 C ATOM 44 C CYS A 3 7.198 3.687 -1.158 1.00 0.00 C ATOM 45 O CYS A 3 8.069 3.743 -2.024 1.00 0.00 O ATOM 46 CB CYS A 3 4.983 4.708 -1.852 1.00 0.00 C ATOM 47 SG CYS A 3 3.995 6.237 -2.040 1.00 0.00 S ATOM 0 H CYS A 3 7.187 6.240 -2.198 1.00 0.00 H new ATOM 0 HA CYS A 3 5.851 4.843 0.062 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.299 4.373 -2.840 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.344 3.928 -1.440 1.00 0.00 H new ATOM 52 N ASN A 4 7.019 2.662 -0.337 1.00 0.00 N ATOM 53 CA ASN A 4 7.874 1.490 -0.409 1.00 0.00 C ATOM 54 C ASN A 4 7.173 0.401 -1.224 1.00 0.00 C ATOM 55 O ASN A 4 5.991 0.521 -1.538 1.00 0.00 O ATOM 56 CB ASN A 4 8.156 0.928 0.986 1.00 0.00 C ATOM 57 CG ASN A 4 8.412 2.054 1.989 1.00 0.00 C ATOM 58 OD1 ASN A 4 8.520 3.218 1.641 1.00 0.00 O ATOM 59 ND2 ASN A 4 8.504 1.645 3.251 1.00 0.00 N ATOM 0 H ASN A 4 6.295 2.619 0.380 1.00 0.00 H new ATOM 0 HA ASN A 4 8.813 1.786 -0.876 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.310 0.326 1.317 1.00 0.00 H new ATOM 0 HB3 ASN A 4 9.022 0.267 0.947 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.675 2.321 3.995 1.00 0.00 H new ATOM 0 HD22 ASN A 4 8.404 0.655 3.475 1.00 0.00 H new ATOM 66 N LYS A 5 7.934 -0.636 -1.542 1.00 0.00 N ATOM 67 CA LYS A 5 7.400 -1.746 -2.315 1.00 0.00 C ATOM 68 C LYS A 5 6.883 -2.825 -1.360 1.00 0.00 C ATOM 69 O LYS A 5 6.549 -2.535 -0.213 1.00 0.00 O ATOM 70 CB LYS A 5 8.442 -2.255 -3.312 1.00 0.00 C ATOM 71 CG LYS A 5 9.124 -1.091 -4.035 1.00 0.00 C ATOM 72 CD LYS A 5 10.586 -0.959 -3.605 1.00 0.00 C ATOM 73 CE LYS A 5 11.524 -1.533 -4.669 1.00 0.00 C ATOM 74 NZ LYS A 5 11.965 -2.894 -4.290 1.00 0.00 N ATOM 0 H LYS A 5 8.915 -0.732 -1.279 1.00 0.00 H new ATOM 0 HA LYS A 5 6.552 -1.419 -2.916 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.190 -2.851 -2.789 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.964 -2.910 -4.040 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.071 -1.246 -5.113 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.593 -0.164 -3.820 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.825 0.090 -3.432 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.739 -1.480 -2.660 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.015 -1.564 -5.632 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.391 -0.883 -4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.950 -2.860 -3.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.355 -3.258 -3.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.901 -3.522 -5.116 1.00 0.00 H new ATOM 88 N LEU A 6 6.834 -4.046 -1.870 1.00 0.00 N ATOM 89 CA LEU A 6 6.364 -5.170 -1.077 1.00 0.00 C ATOM 90 C LEU A 6 7.109 -5.193 0.259 1.00 0.00 C ATOM 91 O LEU A 6 6.526 -5.516 1.293 1.00 0.00 O ATOM 92 CB LEU A 6 6.484 -6.473 -1.871 1.00 0.00 C ATOM 93 CG LEU A 6 5.727 -7.675 -1.304 1.00 0.00 C ATOM 94 CD1 LEU A 6 4.279 -7.694 -1.795 1.00 0.00 C ATOM 95 CD2 LEU A 6 6.458 -8.982 -1.621 1.00 0.00 C ATOM 0 H LEU A 6 7.112 -4.282 -2.823 1.00 0.00 H new ATOM 0 HA LEU A 6 5.304 -5.059 -0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.130 -6.291 -2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.540 -6.735 -1.944 1.00 0.00 H new ATOM 0 HG LEU A 6 5.696 -7.578 -0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.764 -8.559 -1.377 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.775 -6.782 -1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.265 -7.755 -2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.899 -9.821 -1.207 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.541 -9.099 -2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.455 -8.957 -1.181 1.00 0.00 H new ATOM 107 N VAL A 7 8.386 -4.846 0.193 1.00 0.00 N ATOM 108 CA VAL A 7 9.217 -4.823 1.385 1.00 0.00 C ATOM 109 C VAL A 7 9.463 -3.372 1.802 1.00 0.00 C ATOM 110 O VAL A 7 9.863 -2.546 0.982 1.00 0.00 O ATOM 111 CB VAL A 7 10.511 -5.602 1.137 1.00 0.00 C ATOM 112 CG1 VAL A 7 11.531 -5.336 2.246 1.00 0.00 C ATOM 113 CG2 VAL A 7 10.231 -7.099 0.996 1.00 0.00 C ATOM 0 H VAL A 7 8.865 -4.579 -0.667 1.00 0.00 H new ATOM 0 HA VAL A 7 8.710 -5.318 2.213 1.00 0.00 H new ATOM 0 HB VAL A 7 10.939 -5.252 0.198 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.441 -5.901 2.046 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.764 -4.272 2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.115 -5.645 3.205 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.167 -7.629 0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.769 -7.471 1.911 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.557 -7.265 0.156 1.00 0.00 H new ATOM 123 N PRO A 8 9.215 -3.104 3.076 1.00 0.00 N ATOM 124 CA PRO A 8 9.748 -1.863 3.722 1.00 0.00 C ATOM 125 C PRO A 8 11.294 -1.618 3.802 1.00 0.00 C ATOM 126 O PRO A 8 11.837 -1.410 4.885 1.00 0.00 O ATOM 127 CB PRO A 8 9.080 -1.903 5.116 1.00 0.00 C ATOM 128 CG PRO A 8 7.921 -2.893 4.996 1.00 0.00 C ATOM 129 CD PRO A 8 8.412 -3.931 3.988 1.00 0.00 C ATOM 0 HA PRO A 8 9.506 -1.011 3.086 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.789 -2.222 5.880 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.722 -0.915 5.406 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.689 -3.351 5.957 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.012 -2.401 4.649 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.006 -4.713 4.462 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.587 -4.425 3.474 1.00 0.00 H new ATOM 137 N ILE A 9 11.928 -1.658 2.639 1.00 0.00 N ATOM 138 CA ILE A 9 13.364 -1.449 2.562 1.00 0.00 C ATOM 139 C ILE A 9 13.675 -0.495 1.407 1.00 0.00 C ATOM 140 O ILE A 9 14.442 0.452 1.570 1.00 0.00 O ATOM 141 CB ILE A 9 14.096 -2.789 2.467 1.00 0.00 C ATOM 142 CG1 ILE A 9 15.590 -2.619 2.749 1.00 0.00 C ATOM 143 CG2 ILE A 9 13.841 -3.458 1.115 1.00 0.00 C ATOM 144 CD1 ILE A 9 15.847 -2.440 4.247 1.00 0.00 C ATOM 0 H ILE A 9 11.474 -1.832 1.743 1.00 0.00 H new ATOM 0 HA ILE A 9 13.730 -0.976 3.474 1.00 0.00 H new ATOM 0 HB ILE A 9 13.697 -3.451 3.235 1.00 0.00 H new ATOM 0 HG12 ILE A 9 16.134 -3.490 2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 9 15.971 -1.755 2.205 1.00 0.00 H new ATOM 0 HG21 ILE A 9 14.373 -4.409 1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.772 -3.634 0.992 1.00 0.00 H new ATOM 0 HG23 ILE A 9 14.196 -2.808 0.315 1.00 0.00 H new ATOM 0 HD11 ILE A 9 16.916 -2.321 4.421 1.00 0.00 H new ATOM 0 HD12 ILE A 9 15.321 -1.554 4.603 1.00 0.00 H new ATOM 0 HD13 ILE A 9 15.487 -3.317 4.785 1.00 0.00 H new ATOM 156 N ALA A 10 13.062 -0.777 0.266 1.00 0.00 N ATOM 157 CA ALA A 10 13.264 0.044 -0.915 1.00 0.00 C ATOM 158 C ALA A 10 11.980 0.818 -1.219 1.00 0.00 C ATOM 159 O ALA A 10 10.894 0.240 -1.245 1.00 0.00 O ATOM 160 CB ALA A 10 13.702 -0.841 -2.083 1.00 0.00 C ATOM 0 H ALA A 10 12.425 -1.563 0.135 1.00 0.00 H new ATOM 0 HA ALA A 10 14.056 0.774 -0.744 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.854 -0.225 -2.969 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.634 -1.345 -1.828 1.00 0.00 H new ATOM 0 HB3 ALA A 10 12.931 -1.584 -2.285 1.00 0.00 H new ATOM 166 N TYR A 11 12.145 2.114 -1.440 1.00 0.00 N ATOM 167 CA TYR A 11 11.012 2.972 -1.742 1.00 0.00 C ATOM 168 C TYR A 11 11.417 4.101 -2.690 1.00 0.00 C ATOM 169 O TYR A 11 12.592 4.457 -2.772 1.00 0.00 O ATOM 170 CB TYR A 11 10.575 3.577 -0.405 1.00 0.00 C ATOM 171 CG TYR A 11 11.707 4.250 0.373 1.00 0.00 C ATOM 172 CD1 TYR A 11 12.489 3.508 1.234 1.00 0.00 C ATOM 173 CD2 TYR A 11 11.945 5.600 0.214 1.00 0.00 C ATOM 174 CE1 TYR A 11 13.554 4.142 1.967 1.00 0.00 C ATOM 175 CE2 TYR A 11 13.011 6.234 0.946 1.00 0.00 C ATOM 176 CZ TYR A 11 13.763 5.474 1.786 1.00 0.00 C ATOM 177 OH TYR A 11 14.769 6.072 2.478 1.00 0.00 O ATOM 0 H TYR A 11 13.046 2.591 -1.416 1.00 0.00 H new ATOM 0 HA TYR A 11 10.217 2.403 -2.225 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.789 4.309 -0.589 1.00 0.00 H new ATOM 0 HB3 TYR A 11 10.140 2.791 0.213 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.302 2.452 1.358 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.332 6.181 -0.459 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.173 3.573 2.645 1.00 0.00 H new ATOM 0 HE2 TYR A 11 13.209 7.289 0.830 1.00 0.00 H new ATOM 0 HH TYR A 11 14.803 7.024 2.249 1.00 0.00 H new ATOM 187 N LYS A 12 10.422 4.633 -3.385 1.00 0.00 N ATOM 188 CA LYS A 12 10.659 5.715 -4.326 1.00 0.00 C ATOM 189 C LYS A 12 9.575 6.781 -4.155 1.00 0.00 C ATOM 190 O LYS A 12 8.704 6.653 -3.295 1.00 0.00 O ATOM 191 CB LYS A 12 10.768 5.172 -5.751 1.00 0.00 C ATOM 192 CG LYS A 12 12.218 5.194 -6.238 1.00 0.00 C ATOM 193 CD LYS A 12 12.284 5.310 -7.761 1.00 0.00 C ATOM 194 CE LYS A 12 12.157 6.769 -8.206 1.00 0.00 C ATOM 195 NZ LYS A 12 11.494 6.853 -9.527 1.00 0.00 N ATOM 0 H LYS A 12 9.449 4.335 -3.315 1.00 0.00 H new ATOM 0 HA LYS A 12 11.615 6.196 -4.120 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.385 4.152 -5.785 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.147 5.769 -6.420 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.745 6.032 -5.783 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.727 4.285 -5.917 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.227 4.897 -8.120 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.486 4.719 -8.209 1.00 0.00 H new ATOM 0 HE2 LYS A 12 11.584 7.332 -7.469 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.145 7.226 -8.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.416 7.850 -9.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.056 6.333 -10.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.544 6.435 -9.466 1.00 0.00 H new ATOM 209 N THR A 13 9.664 7.809 -4.986 1.00 0.00 N ATOM 210 CA THR A 13 8.702 8.896 -4.937 1.00 0.00 C ATOM 211 C THR A 13 7.466 8.552 -5.772 1.00 0.00 C ATOM 212 O THR A 13 7.574 8.287 -6.968 1.00 0.00 O ATOM 213 CB THR A 13 9.407 10.173 -5.397 1.00 0.00 C ATOM 214 OG1 THR A 13 9.838 10.787 -4.185 1.00 0.00 O ATOM 215 CG2 THR A 13 8.441 11.190 -6.007 1.00 0.00 C ATOM 0 H THR A 13 10.388 7.912 -5.697 1.00 0.00 H new ATOM 0 HA THR A 13 8.338 9.055 -3.922 1.00 0.00 H new ATOM 0 HB THR A 13 10.175 9.920 -6.128 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.307 11.622 -4.390 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.994 12.077 -6.316 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.948 10.749 -6.873 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.692 11.470 -5.266 1.00 0.00 H new ATOM 223 N CYS A 14 6.319 8.565 -5.107 1.00 0.00 N ATOM 224 CA CYS A 14 5.065 8.258 -5.771 1.00 0.00 C ATOM 225 C CYS A 14 4.738 9.403 -6.733 1.00 0.00 C ATOM 226 O CYS A 14 4.339 10.484 -6.303 1.00 0.00 O ATOM 227 CB CYS A 14 3.937 8.017 -4.766 1.00 0.00 C ATOM 228 SG CYS A 14 4.245 6.658 -3.579 1.00 0.00 S ATOM 0 H CYS A 14 6.233 8.784 -4.114 1.00 0.00 H new ATOM 0 HA CYS A 14 5.166 7.330 -6.333 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.764 8.937 -4.207 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.020 7.801 -5.315 1.00 0.00 H new ATOM 233 N PRO A 15 4.917 9.125 -8.015 1.00 0.00 N ATOM 234 CA PRO A 15 4.943 10.214 -9.044 1.00 0.00 C ATOM 235 C PRO A 15 3.698 11.149 -9.230 1.00 0.00 C ATOM 236 O PRO A 15 2.733 11.061 -8.474 1.00 0.00 O ATOM 237 CB PRO A 15 5.302 9.440 -10.334 1.00 0.00 C ATOM 238 CG PRO A 15 4.859 7.996 -10.092 1.00 0.00 C ATOM 239 CD PRO A 15 5.107 7.769 -8.603 1.00 0.00 C ATOM 0 HA PRO A 15 5.647 10.981 -8.721 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.793 9.865 -11.199 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.372 9.492 -10.536 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.809 7.854 -10.346 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.432 7.297 -10.702 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.407 7.047 -8.184 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.110 7.386 -8.416 1.00 0.00 H new ATOM 247 N GLU A 16 3.787 12.006 -10.237 1.00 0.00 N ATOM 248 CA GLU A 16 2.708 12.934 -10.527 1.00 0.00 C ATOM 249 C GLU A 16 1.392 12.176 -10.715 1.00 0.00 C ATOM 250 O GLU A 16 1.304 11.274 -11.546 1.00 0.00 O ATOM 251 CB GLU A 16 3.032 13.784 -11.757 1.00 0.00 C ATOM 252 CG GLU A 16 2.215 15.077 -11.761 1.00 0.00 C ATOM 253 CD GLU A 16 2.972 16.205 -11.057 1.00 0.00 C ATOM 254 OE1 GLU A 16 2.810 16.312 -9.822 1.00 0.00 O ATOM 255 OE2 GLU A 16 3.695 16.935 -11.769 1.00 0.00 O ATOM 0 H GLU A 16 4.590 12.077 -10.862 1.00 0.00 H new ATOM 0 HA GLU A 16 2.597 13.609 -9.678 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.096 14.022 -11.769 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.822 13.214 -12.662 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.993 15.368 -12.788 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.260 14.909 -11.264 1.00 0.00 H new ATOM 262 N GLY A 17 0.402 12.571 -9.927 1.00 0.00 N ATOM 263 CA GLY A 17 -0.905 11.940 -9.996 1.00 0.00 C ATOM 264 C GLY A 17 -1.163 11.077 -8.760 1.00 0.00 C ATOM 265 O GLY A 17 -2.270 11.067 -8.225 1.00 0.00 O ATOM 0 H GLY A 17 0.479 13.319 -9.238 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.678 12.704 -10.078 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.969 11.325 -10.893 1.00 0.00 H new ATOM 269 N LYS A 18 -0.122 10.372 -8.341 1.00 0.00 N ATOM 270 CA LYS A 18 -0.221 9.507 -7.179 1.00 0.00 C ATOM 271 C LYS A 18 0.705 10.030 -6.079 1.00 0.00 C ATOM 272 O LYS A 18 1.926 9.919 -6.185 1.00 0.00 O ATOM 273 CB LYS A 18 0.047 8.052 -7.568 1.00 0.00 C ATOM 274 CG LYS A 18 -1.104 7.487 -8.402 1.00 0.00 C ATOM 275 CD LYS A 18 -0.721 6.143 -9.027 1.00 0.00 C ATOM 276 CE LYS A 18 -0.879 6.180 -10.547 1.00 0.00 C ATOM 277 NZ LYS A 18 -1.736 5.064 -11.007 1.00 0.00 N ATOM 0 H LYS A 18 0.795 10.383 -8.787 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.234 9.523 -6.778 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.976 7.988 -8.134 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.179 7.450 -6.669 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.986 7.362 -7.774 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.370 8.195 -9.187 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.310 5.900 -8.771 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.347 5.353 -8.612 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.317 7.131 -10.850 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.100 6.114 -11.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.833 5.104 -12.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.303 4.159 -10.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.675 5.144 -10.568 1.00 0.00 H new ATOM 291 N ASN A 19 0.090 10.590 -5.047 1.00 0.00 N ATOM 292 CA ASN A 19 0.844 11.130 -3.929 1.00 0.00 C ATOM 293 C ASN A 19 0.402 10.435 -2.640 1.00 0.00 C ATOM 294 O ASN A 19 0.689 10.914 -1.543 1.00 0.00 O ATOM 295 CB ASN A 19 0.591 12.630 -3.768 1.00 0.00 C ATOM 296 CG ASN A 19 1.724 13.295 -2.984 1.00 0.00 C ATOM 297 OD1 ASN A 19 2.876 12.902 -3.053 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.333 14.324 -2.236 1.00 0.00 N ATOM 0 H ASN A 19 -0.922 10.681 -4.962 1.00 0.00 H new ATOM 0 HA ASN A 19 1.903 10.962 -4.123 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.501 13.095 -4.750 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.356 12.790 -3.252 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.015 14.835 -1.675 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.352 14.602 -2.224 1.00 0.00 H new ATOM 305 N LEU A 20 -0.287 9.318 -2.813 1.00 0.00 N ATOM 306 CA LEU A 20 -0.771 8.552 -1.676 1.00 0.00 C ATOM 307 C LEU A 20 -0.197 7.135 -1.740 1.00 0.00 C ATOM 308 O LEU A 20 -0.054 6.567 -2.822 1.00 0.00 O ATOM 309 CB LEU A 20 -2.298 8.595 -1.612 1.00 0.00 C ATOM 310 CG LEU A 20 -2.925 9.984 -1.475 1.00 0.00 C ATOM 311 CD1 LEU A 20 -4.433 9.932 -1.726 1.00 0.00 C ATOM 312 CD2 LEU A 20 -2.591 10.604 -0.117 1.00 0.00 C ATOM 0 H LEU A 20 -0.522 8.924 -3.724 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.424 8.995 -0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.693 8.127 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.624 7.986 -0.768 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.494 10.631 -2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.854 10.932 -1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.622 9.562 -2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.900 9.265 -1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.048 11.591 -0.045 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.976 9.967 0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.510 10.697 -0.016 1.00 0.00 H new ATOM 324 N CYS A 21 0.116 6.604 -0.567 1.00 0.00 N ATOM 325 CA CYS A 21 0.671 5.263 -0.476 1.00 0.00 C ATOM 326 C CYS A 21 -0.325 4.383 0.281 1.00 0.00 C ATOM 327 O CYS A 21 -0.817 4.766 1.341 1.00 0.00 O ATOM 328 CB CYS A 21 2.050 5.266 0.186 1.00 0.00 C ATOM 329 SG CYS A 21 3.133 6.658 -0.301 1.00 0.00 S ATOM 0 H CYS A 21 -0.004 7.078 0.328 1.00 0.00 H new ATOM 0 HA CYS A 21 0.823 4.859 -1.477 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.918 5.288 1.268 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.555 4.330 -0.054 1.00 0.00 H new ATOM 334 N TYR A 22 -0.591 3.219 -0.293 1.00 0.00 N ATOM 335 CA TYR A 22 -1.519 2.280 0.314 1.00 0.00 C ATOM 336 C TYR A 22 -0.916 0.874 0.374 1.00 0.00 C ATOM 337 O TYR A 22 0.046 0.578 -0.331 1.00 0.00 O ATOM 338 CB TYR A 22 -2.750 2.255 -0.595 1.00 0.00 C ATOM 339 CG TYR A 22 -2.541 1.496 -1.905 1.00 0.00 C ATOM 340 CD1 TYR A 22 -2.431 0.120 -1.895 1.00 0.00 C ATOM 341 CD2 TYR A 22 -2.462 2.186 -3.098 1.00 0.00 C ATOM 342 CE1 TYR A 22 -2.235 -0.595 -3.130 1.00 0.00 C ATOM 343 CE2 TYR A 22 -2.266 1.471 -4.332 1.00 0.00 C ATOM 344 CZ TYR A 22 -2.162 0.115 -4.287 1.00 0.00 C ATOM 345 OH TYR A 22 -1.976 -0.560 -5.452 1.00 0.00 O ATOM 0 H TYR A 22 -0.180 2.905 -1.172 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.758 2.582 1.334 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.580 1.802 -0.053 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -3.041 3.280 -0.824 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.492 -0.420 -0.962 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.547 3.263 -3.106 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.148 -1.671 -3.137 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.203 1.999 -5.272 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.945 0.076 -6.197 1.00 0.00 H new ATOM 355 N LYS A 23 -1.509 0.046 1.222 1.00 0.00 N ATOM 356 CA LYS A 23 -1.043 -1.320 1.383 1.00 0.00 C ATOM 357 C LYS A 23 -2.238 -2.232 1.665 1.00 0.00 C ATOM 358 O LYS A 23 -2.888 -2.107 2.702 1.00 0.00 O ATOM 359 CB LYS A 23 0.050 -1.391 2.451 1.00 0.00 C ATOM 360 CG LYS A 23 -0.435 -0.793 3.773 1.00 0.00 C ATOM 361 CD LYS A 23 0.120 0.619 3.974 1.00 0.00 C ATOM 362 CE LYS A 23 0.741 0.772 5.364 1.00 0.00 C ATOM 363 NZ LYS A 23 -0.316 0.826 6.400 1.00 0.00 N ATOM 0 H LYS A 23 -2.308 0.295 1.805 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.580 -1.675 0.462 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.347 -2.429 2.604 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.934 -0.854 2.108 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.525 -0.764 3.785 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.124 -1.431 4.600 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.870 0.831 3.212 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.679 1.349 3.847 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.412 -0.064 5.563 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.343 1.680 5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.122 0.930 7.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.940 1.638 6.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.873 -0.052 6.374 1.00 0.00 H new ATOM 377 N MET A 24 -2.493 -3.129 0.724 1.00 0.00 N ATOM 378 CA MET A 24 -3.598 -4.061 0.858 1.00 0.00 C ATOM 379 C MET A 24 -3.149 -5.349 1.553 1.00 0.00 C ATOM 380 O MET A 24 -2.159 -5.960 1.155 1.00 0.00 O ATOM 381 CB MET A 24 -4.155 -4.397 -0.527 1.00 0.00 C ATOM 382 CG MET A 24 -5.188 -3.357 -0.969 1.00 0.00 C ATOM 383 SD MET A 24 -4.474 -2.268 -2.189 1.00 0.00 S ATOM 384 CE MET A 24 -5.495 -2.668 -3.597 1.00 0.00 C ATOM 0 H MET A 24 -1.952 -3.230 -0.135 1.00 0.00 H new ATOM 0 HA MET A 24 -4.371 -3.592 1.467 1.00 0.00 H new ATOM 0 HB2 MET A 24 -3.341 -4.437 -1.251 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.614 -5.386 -0.509 1.00 0.00 H new ATOM 0 HG2 MET A 24 -6.064 -3.856 -1.383 1.00 0.00 H new ATOM 0 HG3 MET A 24 -5.527 -2.780 -0.108 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.868 -2.775 -4.482 1.00 0.00 H new ATOM 0 HE2 MET A 24 -6.022 -3.604 -3.410 1.00 0.00 H new ATOM 0 HE3 MET A 24 -6.220 -1.870 -3.759 1.00 0.00 H new ATOM 394 N PHE A 25 -3.899 -5.724 2.578 1.00 0.00 N ATOM 395 CA PHE A 25 -3.590 -6.926 3.332 1.00 0.00 C ATOM 396 C PHE A 25 -4.665 -7.995 3.123 1.00 0.00 C ATOM 397 O PHE A 25 -5.841 -7.762 3.402 1.00 0.00 O ATOM 398 CB PHE A 25 -3.560 -6.534 4.810 1.00 0.00 C ATOM 399 CG PHE A 25 -2.506 -5.479 5.152 1.00 0.00 C ATOM 400 CD1 PHE A 25 -2.776 -4.160 4.960 1.00 0.00 C ATOM 401 CD2 PHE A 25 -1.297 -5.860 5.647 1.00 0.00 C ATOM 402 CE1 PHE A 25 -1.798 -3.181 5.277 1.00 0.00 C ATOM 403 CE2 PHE A 25 -0.319 -4.881 5.964 1.00 0.00 C ATOM 404 CZ PHE A 25 -0.590 -3.562 5.772 1.00 0.00 C ATOM 0 H PHE A 25 -4.721 -5.216 2.904 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.636 -7.337 3.001 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.542 -6.158 5.096 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.374 -7.426 5.408 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.735 -3.857 4.566 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.081 -6.907 5.799 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.013 -2.134 5.125 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.640 -5.184 6.358 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.154 -2.817 6.013 1.00 0.00 H new ATOM 414 N MET A 26 -4.224 -9.145 2.633 1.00 0.00 N ATOM 415 CA MET A 26 -5.134 -10.250 2.383 1.00 0.00 C ATOM 416 C MET A 26 -5.369 -11.065 3.656 1.00 0.00 C ATOM 417 O MET A 26 -4.516 -11.101 4.541 1.00 0.00 O ATOM 418 CB MET A 26 -4.549 -11.157 1.297 1.00 0.00 C ATOM 419 CG MET A 26 -5.644 -11.657 0.353 1.00 0.00 C ATOM 420 SD MET A 26 -5.892 -13.410 0.579 1.00 0.00 S ATOM 421 CE MET A 26 -5.273 -14.014 -0.982 1.00 0.00 C ATOM 0 H MET A 26 -3.249 -9.335 2.403 1.00 0.00 H new ATOM 0 HA MET A 26 -6.090 -9.842 2.053 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.795 -10.611 0.729 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.046 -12.007 1.759 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.574 -11.122 0.546 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.366 -11.451 -0.681 1.00 0.00 H new ATOM 0 HE1 MET A 26 -5.355 -15.101 -1.010 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.858 -13.585 -1.796 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.228 -13.726 -1.095 1.00 0.00 H new ATOM 431 N MET A 27 -6.532 -11.698 3.709 1.00 0.00 N ATOM 432 CA MET A 27 -6.891 -12.509 4.859 1.00 0.00 C ATOM 433 C MET A 27 -6.985 -11.656 6.125 1.00 0.00 C ATOM 434 O MET A 27 -8.068 -11.478 6.680 1.00 0.00 O ATOM 435 CB MET A 27 -5.841 -13.605 5.059 1.00 0.00 C ATOM 436 CG MET A 27 -5.799 -14.549 3.856 1.00 0.00 C ATOM 437 SD MET A 27 -6.205 -16.210 4.369 1.00 0.00 S ATOM 438 CE MET A 27 -4.606 -16.986 4.201 1.00 0.00 C ATOM 0 H MET A 27 -7.238 -11.665 2.973 1.00 0.00 H new ATOM 0 HA MET A 27 -7.867 -12.957 4.673 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.860 -13.152 5.205 1.00 0.00 H new ATOM 0 HB3 MET A 27 -6.068 -14.171 5.962 1.00 0.00 H new ATOM 0 HG2 MET A 27 -6.503 -14.213 3.095 1.00 0.00 H new ATOM 0 HG3 MET A 27 -4.807 -14.531 3.404 1.00 0.00 H new ATOM 0 HE1 MET A 27 -4.680 -18.036 4.484 1.00 0.00 H new ATOM 0 HE2 MET A 27 -4.272 -16.911 3.166 1.00 0.00 H new ATOM 0 HE3 MET A 27 -3.888 -16.485 4.851 1.00 0.00 H new ATOM 448 N SER A 28 -5.836 -11.148 6.545 1.00 0.00 N ATOM 449 CA SER A 28 -5.775 -10.317 7.735 1.00 0.00 C ATOM 450 C SER A 28 -4.660 -9.277 7.591 1.00 0.00 C ATOM 451 O SER A 28 -3.742 -9.454 6.792 1.00 0.00 O ATOM 452 CB SER A 28 -5.551 -11.165 8.989 1.00 0.00 C ATOM 453 OG SER A 28 -6.042 -10.523 10.162 1.00 0.00 O ATOM 0 H SER A 28 -4.939 -11.296 6.082 1.00 0.00 H new ATOM 0 HA SER A 28 -6.731 -9.804 7.843 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.047 -12.128 8.869 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.486 -11.367 9.105 1.00 0.00 H new ATOM 0 HG SER A 28 -5.882 -11.097 10.940 1.00 0.00 H new ATOM 459 N ASP A 29 -4.779 -8.217 8.377 1.00 0.00 N ATOM 460 CA ASP A 29 -3.793 -7.150 8.347 1.00 0.00 C ATOM 461 C ASP A 29 -2.831 -7.317 9.526 1.00 0.00 C ATOM 462 O ASP A 29 -1.645 -7.016 9.410 1.00 0.00 O ATOM 463 CB ASP A 29 -4.461 -5.779 8.472 1.00 0.00 C ATOM 464 CG ASP A 29 -5.851 -5.794 9.111 1.00 0.00 C ATOM 465 OD1 ASP A 29 -6.757 -6.385 8.486 1.00 0.00 O ATOM 466 OD2 ASP A 29 -5.975 -5.213 10.211 1.00 0.00 O ATOM 0 H ASP A 29 -5.543 -8.074 9.038 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.263 -7.207 7.396 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.814 -5.128 9.060 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.539 -5.337 7.479 1.00 0.00 H new ATOM 471 N LEU A 30 -3.380 -7.796 10.633 1.00 0.00 N ATOM 472 CA LEU A 30 -2.586 -8.006 11.831 1.00 0.00 C ATOM 473 C LEU A 30 -1.249 -8.642 11.447 1.00 0.00 C ATOM 474 O LEU A 30 -0.248 -8.461 12.139 1.00 0.00 O ATOM 475 CB LEU A 30 -3.377 -8.812 12.864 1.00 0.00 C ATOM 476 CG LEU A 30 -4.566 -8.095 13.507 1.00 0.00 C ATOM 477 CD1 LEU A 30 -5.499 -9.092 14.196 1.00 0.00 C ATOM 478 CD2 LEU A 30 -4.093 -6.997 14.461 1.00 0.00 C ATOM 0 H LEU A 30 -4.365 -8.044 10.725 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.360 -7.053 12.310 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.742 -9.720 12.385 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.694 -9.121 13.655 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.140 -7.609 12.718 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.336 -8.557 14.645 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.876 -9.805 13.462 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.951 -9.626 14.973 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.958 -6.503 14.905 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.483 -7.438 15.249 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.501 -6.266 13.910 1.00 0.00 H new ATOM 490 N THR A 31 -1.275 -9.376 10.344 1.00 0.00 N ATOM 491 CA THR A 31 -0.077 -10.040 9.859 1.00 0.00 C ATOM 492 C THR A 31 0.691 -9.126 8.902 1.00 0.00 C ATOM 493 O THR A 31 0.584 -7.903 8.986 1.00 0.00 O ATOM 494 CB THR A 31 -0.496 -11.367 9.224 1.00 0.00 C ATOM 495 OG1 THR A 31 -1.275 -10.982 8.094 1.00 0.00 O ATOM 496 CG2 THR A 31 -1.475 -12.152 10.101 1.00 0.00 C ATOM 0 H THR A 31 -2.107 -9.525 9.773 1.00 0.00 H new ATOM 0 HA THR A 31 0.612 -10.256 10.676 1.00 0.00 H new ATOM 0 HB THR A 31 0.389 -11.974 9.034 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.586 -11.783 7.623 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.741 -13.085 9.604 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.008 -12.372 11.061 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.375 -11.558 10.263 1.00 0.00 H new ATOM 504 N ILE A 32 1.448 -9.753 8.014 1.00 0.00 N ATOM 505 CA ILE A 32 2.233 -9.010 7.042 1.00 0.00 C ATOM 506 C ILE A 32 1.476 -8.958 5.713 1.00 0.00 C ATOM 507 O ILE A 32 0.782 -9.907 5.353 1.00 0.00 O ATOM 508 CB ILE A 32 3.639 -9.602 6.925 1.00 0.00 C ATOM 509 CG1 ILE A 32 4.670 -8.704 7.613 1.00 0.00 C ATOM 510 CG2 ILE A 32 3.999 -9.875 5.463 1.00 0.00 C ATOM 511 CD1 ILE A 32 4.407 -8.618 9.117 1.00 0.00 C ATOM 0 H ILE A 32 1.535 -10.767 7.947 1.00 0.00 H new ATOM 0 HA ILE A 32 2.371 -7.980 7.371 1.00 0.00 H new ATOM 0 HB ILE A 32 3.651 -10.561 7.443 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.672 -9.095 7.437 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.636 -7.706 7.177 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.003 -10.295 5.408 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.286 -10.582 5.039 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.965 -8.943 4.900 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.154 -7.974 9.581 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.414 -8.204 9.290 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.466 -9.615 9.554 1.00 0.00 H new ATOM 523 N PRO A 33 1.633 -7.838 5.023 1.00 0.00 N ATOM 524 CA PRO A 33 0.809 -7.561 3.803 1.00 0.00 C ATOM 525 C PRO A 33 0.925 -8.493 2.548 1.00 0.00 C ATOM 526 O PRO A 33 1.590 -9.526 2.596 1.00 0.00 O ATOM 527 CB PRO A 33 1.171 -6.092 3.486 1.00 0.00 C ATOM 528 CG PRO A 33 2.567 -5.870 4.072 1.00 0.00 C ATOM 529 CD PRO A 33 2.595 -6.745 5.323 1.00 0.00 C ATOM 0 HA PRO A 33 -0.235 -7.769 4.036 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.165 -5.911 2.411 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.448 -5.407 3.929 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.345 -6.160 3.366 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.733 -4.821 4.317 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.595 -7.135 5.514 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.297 -6.184 6.209 1.00 0.00 H new ATOM 537 N VAL A 34 0.262 -8.076 1.478 1.00 0.00 N ATOM 538 CA VAL A 34 0.279 -8.840 0.243 1.00 0.00 C ATOM 539 C VAL A 34 0.718 -7.932 -0.907 1.00 0.00 C ATOM 540 O VAL A 34 1.533 -8.328 -1.740 1.00 0.00 O ATOM 541 CB VAL A 34 -1.088 -9.483 0.007 1.00 0.00 C ATOM 542 CG1 VAL A 34 -1.293 -10.689 0.928 1.00 0.00 C ATOM 543 CG2 VAL A 34 -2.214 -8.462 0.183 1.00 0.00 C ATOM 0 H VAL A 34 -0.290 -7.219 1.442 1.00 0.00 H new ATOM 0 HA VAL A 34 1.000 -9.655 0.308 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.117 -9.838 -1.023 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.273 -11.128 0.740 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.519 -11.431 0.733 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.233 -10.367 1.968 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.175 -8.946 0.009 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.187 -8.062 1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.083 -7.649 -0.531 1.00 0.00 H new ATOM 553 N LYS A 35 0.160 -6.729 -0.917 1.00 0.00 N ATOM 554 CA LYS A 35 0.484 -5.762 -1.950 1.00 0.00 C ATOM 555 C LYS A 35 0.392 -4.351 -1.368 1.00 0.00 C ATOM 556 O LYS A 35 -0.388 -4.103 -0.449 1.00 0.00 O ATOM 557 CB LYS A 35 -0.397 -5.979 -3.182 1.00 0.00 C ATOM 558 CG LYS A 35 -0.030 -7.281 -3.897 1.00 0.00 C ATOM 559 CD LYS A 35 -0.497 -7.257 -5.354 1.00 0.00 C ATOM 560 CE LYS A 35 0.612 -7.736 -6.292 1.00 0.00 C ATOM 561 NZ LYS A 35 1.707 -6.742 -6.351 1.00 0.00 N ATOM 0 H LYS A 35 -0.515 -6.403 -0.225 1.00 0.00 H new ATOM 0 HA LYS A 35 1.510 -5.899 -2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.445 -6.007 -2.884 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.283 -5.139 -3.867 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.049 -7.429 -3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.485 -8.125 -3.379 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.375 -7.892 -5.469 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.798 -6.245 -5.627 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.001 -8.694 -5.946 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.207 -7.899 -7.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.280 -6.907 -7.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.304 -5.784 -6.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.307 -6.836 -5.507 1.00 0.00 H new ATOM 575 N ARG A 36 1.199 -3.460 -1.927 1.00 0.00 N ATOM 576 CA ARG A 36 1.217 -2.080 -1.475 1.00 0.00 C ATOM 577 C ARG A 36 1.950 -1.199 -2.490 1.00 0.00 C ATOM 578 O ARG A 36 3.046 -1.536 -2.933 1.00 0.00 O ATOM 579 CB ARG A 36 1.903 -1.955 -0.114 1.00 0.00 C ATOM 580 CG ARG A 36 3.345 -2.464 -0.177 1.00 0.00 C ATOM 581 CD ARG A 36 3.565 -3.614 0.808 1.00 0.00 C ATOM 582 NE ARG A 36 3.339 -3.143 2.193 1.00 0.00 N ATOM 583 CZ ARG A 36 4.252 -2.487 2.922 1.00 0.00 C ATOM 584 NH1 ARG A 36 5.458 -2.220 2.403 1.00 0.00 N ATOM 585 NH2 ARG A 36 3.959 -2.098 4.170 1.00 0.00 N ATOM 0 H ARG A 36 1.845 -3.668 -2.689 1.00 0.00 H new ATOM 0 HA ARG A 36 0.183 -1.749 -1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.895 -0.913 0.207 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.346 -2.522 0.631 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.572 -2.799 -1.189 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.032 -1.649 0.051 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.886 -4.435 0.579 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.579 -4.001 0.707 1.00 0.00 H new ATOM 0 HE ARG A 36 2.431 -3.330 2.619 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.681 -2.516 1.453 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.153 -1.721 2.958 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.041 -2.301 4.565 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.654 -1.599 4.725 1.00 0.00 H new ATOM 599 N GLY A 37 1.314 -0.087 -2.828 1.00 0.00 N ATOM 600 CA GLY A 37 1.891 0.845 -3.782 1.00 0.00 C ATOM 601 C GLY A 37 1.379 2.266 -3.540 1.00 0.00 C ATOM 602 O GLY A 37 1.028 2.620 -2.415 1.00 0.00 O ATOM 0 H GLY A 37 0.405 0.190 -2.458 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.978 0.828 -3.701 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.642 0.533 -4.796 1.00 0.00 H new ATOM 606 N CYS A 38 1.351 3.042 -4.614 1.00 0.00 N ATOM 607 CA CYS A 38 0.887 4.416 -4.532 1.00 0.00 C ATOM 608 C CYS A 38 -0.476 4.505 -5.222 1.00 0.00 C ATOM 609 O CYS A 38 -0.862 3.599 -5.959 1.00 0.00 O ATOM 610 CB CYS A 38 1.898 5.392 -5.138 1.00 0.00 C ATOM 611 SG CYS A 38 3.646 5.033 -4.735 1.00 0.00 S ATOM 0 H CYS A 38 1.642 2.745 -5.545 1.00 0.00 H new ATOM 0 HA CYS A 38 0.784 4.705 -3.486 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.781 5.388 -6.222 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.660 6.399 -4.796 1.00 0.00 H new ATOM 616 N ILE A 39 -1.167 5.604 -4.960 1.00 0.00 N ATOM 617 CA ILE A 39 -2.478 5.823 -5.547 1.00 0.00 C ATOM 618 C ILE A 39 -2.870 7.292 -5.374 1.00 0.00 C ATOM 619 O ILE A 39 -2.154 8.058 -4.732 1.00 0.00 O ATOM 620 CB ILE A 39 -3.496 4.842 -4.962 1.00 0.00 C ATOM 621 CG1 ILE A 39 -4.737 4.745 -5.853 1.00 0.00 C ATOM 622 CG2 ILE A 39 -3.852 5.214 -3.521 1.00 0.00 C ATOM 623 CD1 ILE A 39 -5.247 3.304 -5.928 1.00 0.00 C ATOM 0 H ILE A 39 -0.843 6.353 -4.348 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.455 5.623 -6.618 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.040 3.852 -4.935 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.522 5.392 -5.461 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.499 5.103 -6.855 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.577 4.501 -3.130 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.952 5.191 -2.906 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.281 6.216 -3.499 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.129 3.263 -6.567 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.468 2.664 -6.343 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.507 2.958 -4.928 1.00 0.00 H new ATOM 635 N ASP A 40 -4.006 7.640 -5.961 1.00 0.00 N ATOM 636 CA ASP A 40 -4.502 9.004 -5.881 1.00 0.00 C ATOM 637 C ASP A 40 -5.734 9.041 -4.974 1.00 0.00 C ATOM 638 O ASP A 40 -5.908 9.976 -4.195 1.00 0.00 O ATOM 639 CB ASP A 40 -4.915 9.522 -7.260 1.00 0.00 C ATOM 640 CG ASP A 40 -5.770 8.557 -8.084 1.00 0.00 C ATOM 641 OD1 ASP A 40 -5.192 7.564 -8.576 1.00 0.00 O ATOM 642 OD2 ASP A 40 -6.984 8.834 -8.202 1.00 0.00 O ATOM 0 H ASP A 40 -4.597 7.002 -6.494 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.703 9.631 -5.485 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.467 10.453 -7.131 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.015 9.760 -7.826 1.00 0.00 H new ATOM 647 N VAL A 41 -6.557 8.011 -5.105 1.00 0.00 N ATOM 648 CA VAL A 41 -7.768 7.914 -4.307 1.00 0.00 C ATOM 649 C VAL A 41 -7.902 6.490 -3.764 1.00 0.00 C ATOM 650 O VAL A 41 -7.815 5.522 -4.519 1.00 0.00 O ATOM 651 CB VAL A 41 -8.977 8.355 -5.134 1.00 0.00 C ATOM 652 CG1 VAL A 41 -10.284 8.052 -4.400 1.00 0.00 C ATOM 653 CG2 VAL A 41 -8.882 9.839 -5.495 1.00 0.00 C ATOM 0 H VAL A 41 -6.409 7.236 -5.752 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.716 8.586 -3.450 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.974 7.783 -6.062 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.127 8.376 -5.010 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.359 6.980 -4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.299 8.584 -3.449 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.754 10.127 -6.083 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.847 10.434 -4.582 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.977 10.015 -6.077 1.00 0.00 H new ATOM 663 N CYS A 42 -8.113 6.406 -2.458 1.00 0.00 N ATOM 664 CA CYS A 42 -8.262 5.117 -1.805 1.00 0.00 C ATOM 665 C CYS A 42 -9.522 4.443 -2.352 1.00 0.00 C ATOM 666 O CYS A 42 -10.622 4.976 -2.219 1.00 0.00 O ATOM 667 CB CYS A 42 -8.304 5.256 -0.282 1.00 0.00 C ATOM 668 SG CYS A 42 -7.897 3.729 0.639 1.00 0.00 S ATOM 0 H CYS A 42 -8.184 7.210 -1.835 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.395 4.494 -2.023 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.608 6.040 0.017 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.301 5.586 0.011 1.00 0.00 H new ATOM 673 N PRO A 43 -9.318 3.282 -2.957 1.00 0.00 N ATOM 674 CA PRO A 43 -10.455 2.350 -3.242 1.00 0.00 C ATOM 675 C PRO A 43 -11.302 1.760 -2.063 1.00 0.00 C ATOM 676 O PRO A 43 -10.950 1.927 -0.897 1.00 0.00 O ATOM 677 CB PRO A 43 -9.779 1.253 -4.094 1.00 0.00 C ATOM 678 CG PRO A 43 -8.451 1.848 -4.565 1.00 0.00 C ATOM 679 CD PRO A 43 -8.024 2.769 -3.423 1.00 0.00 C ATOM 0 HA PRO A 43 -11.255 2.916 -3.719 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.616 0.348 -3.508 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.405 0.975 -4.942 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.709 1.070 -4.748 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.571 2.400 -5.497 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.491 2.230 -2.640 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.366 3.568 -3.765 1.00 0.00 H new ATOM 687 N LYS A 44 -12.386 1.092 -2.431 1.00 0.00 N ATOM 688 CA LYS A 44 -13.265 0.489 -1.444 1.00 0.00 C ATOM 689 C LYS A 44 -12.608 -0.774 -0.885 1.00 0.00 C ATOM 690 O LYS A 44 -12.211 -1.659 -1.642 1.00 0.00 O ATOM 691 CB LYS A 44 -14.654 0.248 -2.039 1.00 0.00 C ATOM 692 CG LYS A 44 -15.211 1.526 -2.669 1.00 0.00 C ATOM 693 CD LYS A 44 -16.325 1.205 -3.667 1.00 0.00 C ATOM 694 CE LYS A 44 -15.747 0.807 -5.026 1.00 0.00 C ATOM 695 NZ LYS A 44 -16.824 0.685 -6.033 1.00 0.00 N ATOM 0 H LYS A 44 -12.675 0.955 -3.400 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.417 1.168 -0.605 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.599 -0.539 -2.792 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.331 -0.103 -1.260 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.595 2.183 -1.889 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.410 2.066 -3.174 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.943 0.395 -3.279 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.974 2.073 -3.784 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.020 1.552 -5.351 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.215 -0.140 -4.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -16.413 0.414 -6.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.503 -0.042 -5.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.314 1.597 -6.129 1.00 0.00 H new ATOM 709 N ASN A 45 -12.513 -0.818 0.436 1.00 0.00 N ATOM 710 CA ASN A 45 -11.910 -1.959 1.105 1.00 0.00 C ATOM 711 C ASN A 45 -12.889 -3.133 1.085 1.00 0.00 C ATOM 712 O ASN A 45 -14.074 -2.954 0.803 1.00 0.00 O ATOM 713 CB ASN A 45 -11.591 -1.634 2.567 1.00 0.00 C ATOM 714 CG ASN A 45 -10.972 -2.842 3.273 1.00 0.00 C ATOM 715 OD1 ASN A 45 -10.294 -3.662 2.677 1.00 0.00 O ATOM 716 ND2 ASN A 45 -11.244 -2.904 4.574 1.00 0.00 N ATOM 0 H ASN A 45 -12.843 -0.082 1.061 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.988 -2.209 0.581 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.904 -0.789 2.614 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.502 -1.333 3.084 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.878 -3.673 5.136 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -11.819 -2.183 5.010 1.00 0.00 H new ATOM 723 N SER A 46 -12.360 -4.309 1.387 1.00 0.00 N ATOM 724 CA SER A 46 -13.173 -5.513 1.406 1.00 0.00 C ATOM 725 C SER A 46 -13.004 -6.238 2.742 1.00 0.00 C ATOM 726 O SER A 46 -12.265 -5.778 3.613 1.00 0.00 O ATOM 727 CB SER A 46 -12.808 -6.444 0.248 1.00 0.00 C ATOM 728 OG SER A 46 -11.501 -6.993 0.396 1.00 0.00 O ATOM 0 H SER A 46 -11.378 -4.454 1.621 1.00 0.00 H new ATOM 0 HA SER A 46 -14.217 -5.221 1.287 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.536 -7.253 0.190 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.866 -5.894 -0.691 1.00 0.00 H new ATOM 0 HG SER A 46 -10.929 -6.353 0.869 1.00 0.00 H new ATOM 734 N LEU A 47 -13.698 -7.360 2.863 1.00 0.00 N ATOM 735 CA LEU A 47 -13.633 -8.152 4.079 1.00 0.00 C ATOM 736 C LEU A 47 -12.531 -9.205 3.939 1.00 0.00 C ATOM 737 O LEU A 47 -12.031 -9.721 4.936 1.00 0.00 O ATOM 738 CB LEU A 47 -15.006 -8.741 4.409 1.00 0.00 C ATOM 739 CG LEU A 47 -15.005 -10.133 5.043 1.00 0.00 C ATOM 740 CD1 LEU A 47 -14.578 -10.068 6.511 1.00 0.00 C ATOM 741 CD2 LEU A 47 -16.363 -10.815 4.871 1.00 0.00 C ATOM 0 H LEU A 47 -14.308 -7.739 2.139 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.368 -7.523 4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.520 -8.057 5.084 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.592 -8.782 3.491 1.00 0.00 H new ATOM 0 HG LEU A 47 -14.269 -10.745 4.521 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.586 -11.071 6.937 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.572 -9.653 6.579 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -15.271 -9.434 7.064 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -16.335 -11.803 5.331 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -17.135 -10.214 5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -16.588 -10.915 3.809 1.00 0.00 H new ATOM 753 N LEU A 48 -12.186 -9.491 2.693 1.00 0.00 N ATOM 754 CA LEU A 48 -11.153 -10.472 2.408 1.00 0.00 C ATOM 755 C LEU A 48 -9.785 -9.789 2.436 1.00 0.00 C ATOM 756 O LEU A 48 -8.772 -10.428 2.717 1.00 0.00 O ATOM 757 CB LEU A 48 -11.450 -11.200 1.096 1.00 0.00 C ATOM 758 CG LEU A 48 -11.052 -12.676 1.041 1.00 0.00 C ATOM 759 CD1 LEU A 48 -9.567 -12.856 1.357 1.00 0.00 C ATOM 760 CD2 LEU A 48 -11.940 -13.517 1.961 1.00 0.00 C ATOM 0 H LEU A 48 -12.604 -9.060 1.868 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.140 -11.244 3.177 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.519 -11.125 0.896 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.938 -10.676 0.289 1.00 0.00 H new ATOM 0 HG LEU A 48 -11.210 -13.035 0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.311 -13.914 1.311 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.971 -12.306 0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.359 -12.476 2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.637 -14.562 1.904 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.837 -13.165 2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.980 -13.423 1.648 1.00 0.00 H new ATOM 772 N VAL A 49 -9.798 -8.497 2.141 1.00 0.00 N ATOM 773 CA VAL A 49 -8.571 -7.719 2.129 1.00 0.00 C ATOM 774 C VAL A 49 -8.778 -6.434 2.933 1.00 0.00 C ATOM 775 O VAL A 49 -9.912 -6.016 3.159 1.00 0.00 O ATOM 776 CB VAL A 49 -8.132 -7.457 0.686 1.00 0.00 C ATOM 777 CG1 VAL A 49 -6.718 -6.875 0.641 1.00 0.00 C ATOM 778 CG2 VAL A 49 -8.228 -8.730 -0.156 1.00 0.00 C ATOM 0 H VAL A 49 -10.639 -7.970 1.908 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.763 -8.274 2.606 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.812 -6.720 0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.430 -6.698 -0.395 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.694 -5.934 1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.021 -7.578 1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.910 -8.516 -1.177 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.583 -9.498 0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.259 -9.084 -0.164 1.00 0.00 H new ATOM 788 N LYS A 50 -7.665 -5.845 3.344 1.00 0.00 N ATOM 789 CA LYS A 50 -7.710 -4.617 4.118 1.00 0.00 C ATOM 790 C LYS A 50 -6.922 -3.529 3.387 1.00 0.00 C ATOM 791 O LYS A 50 -5.716 -3.661 3.183 1.00 0.00 O ATOM 792 CB LYS A 50 -7.230 -4.867 5.550 1.00 0.00 C ATOM 793 CG LYS A 50 -7.506 -3.655 6.441 1.00 0.00 C ATOM 794 CD LYS A 50 -8.767 -3.870 7.282 1.00 0.00 C ATOM 795 CE LYS A 50 -9.474 -2.541 7.557 1.00 0.00 C ATOM 796 NZ LYS A 50 -10.511 -2.712 8.599 1.00 0.00 N ATOM 0 H LYS A 50 -6.726 -6.196 3.155 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.737 -4.262 4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.732 -5.744 5.958 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.162 -5.084 5.546 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.653 -3.479 7.096 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.623 -2.764 5.824 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.445 -4.546 6.761 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.503 -4.348 8.225 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.747 -1.795 7.878 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.930 -2.168 6.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.981 -1.801 8.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.214 -3.408 8.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.068 -3.047 9.478 1.00 0.00 H new ATOM 810 N TYR A 51 -7.635 -2.477 3.012 1.00 0.00 N ATOM 811 CA TYR A 51 -7.017 -1.366 2.309 1.00 0.00 C ATOM 812 C TYR A 51 -6.589 -0.268 3.284 1.00 0.00 C ATOM 813 O TYR A 51 -7.427 0.465 3.807 1.00 0.00 O ATOM 814 CB TYR A 51 -8.091 -0.809 1.372 1.00 0.00 C ATOM 815 CG TYR A 51 -8.165 -1.518 0.018 1.00 0.00 C ATOM 816 CD1 TYR A 51 -8.344 -2.884 -0.036 1.00 0.00 C ATOM 817 CD2 TYR A 51 -8.053 -0.789 -1.148 1.00 0.00 C ATOM 818 CE1 TYR A 51 -8.412 -3.551 -1.311 1.00 0.00 C ATOM 819 CE2 TYR A 51 -8.122 -1.455 -2.423 1.00 0.00 C ATOM 820 CZ TYR A 51 -8.298 -2.804 -2.441 1.00 0.00 C ATOM 821 OH TYR A 51 -8.364 -3.433 -3.646 1.00 0.00 O ATOM 0 H TYR A 51 -8.635 -2.371 3.182 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.127 -1.699 1.775 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -9.061 -0.884 1.863 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.899 0.251 1.205 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.433 -3.454 0.877 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.914 0.281 -1.105 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.550 -4.621 -1.368 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.036 -0.897 -3.343 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.268 -2.774 -4.365 1.00 0.00 H new ATOM 831 N VAL A 52 -5.284 -0.188 3.500 1.00 0.00 N ATOM 832 CA VAL A 52 -4.734 0.808 4.405 1.00 0.00 C ATOM 833 C VAL A 52 -4.008 1.882 3.592 1.00 0.00 C ATOM 834 O VAL A 52 -2.865 1.687 3.181 1.00 0.00 O ATOM 835 CB VAL A 52 -3.835 0.134 5.442 1.00 0.00 C ATOM 836 CG1 VAL A 52 -3.707 0.996 6.699 1.00 0.00 C ATOM 837 CG2 VAL A 52 -4.351 -1.265 5.788 1.00 0.00 C ATOM 0 H VAL A 52 -4.591 -0.797 3.064 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.532 1.302 4.960 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.842 0.027 5.006 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.063 0.494 7.420 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.274 1.961 6.436 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.693 1.148 7.138 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.694 -1.723 6.527 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.359 -1.190 6.195 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.368 -1.880 4.888 1.00 0.00 H new ATOM 847 N CYS A 53 -4.701 2.992 3.384 1.00 0.00 N ATOM 848 CA CYS A 53 -4.136 4.097 2.629 1.00 0.00 C ATOM 849 C CYS A 53 -3.507 5.083 3.616 1.00 0.00 C ATOM 850 O CYS A 53 -3.903 5.140 4.779 1.00 0.00 O ATOM 851 CB CYS A 53 -5.185 4.769 1.742 1.00 0.00 C ATOM 852 SG CYS A 53 -5.812 3.729 0.372 1.00 0.00 S ATOM 0 H CYS A 53 -5.649 3.150 3.725 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.368 3.723 1.952 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -6.027 5.071 2.365 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.756 5.679 1.322 1.00 0.00 H new ATOM 857 N CYS A 54 -2.537 5.833 3.116 1.00 0.00 N ATOM 858 CA CYS A 54 -1.850 6.813 3.939 1.00 0.00 C ATOM 859 C CYS A 54 -1.275 7.893 3.021 1.00 0.00 C ATOM 860 O CYS A 54 -1.329 7.768 1.799 1.00 0.00 O ATOM 861 CB CYS A 54 -0.768 6.165 4.805 1.00 0.00 C ATOM 862 SG CYS A 54 -0.250 4.495 4.266 1.00 0.00 S ATOM 0 H CYS A 54 -2.210 5.782 2.151 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.556 7.267 4.634 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.107 6.815 4.816 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.132 6.104 5.831 1.00 0.00 H new ATOM 867 N ASN A 55 -0.736 8.931 3.646 1.00 0.00 N ATOM 868 CA ASN A 55 -0.151 10.032 2.900 1.00 0.00 C ATOM 869 C ASN A 55 1.183 10.423 3.539 1.00 0.00 C ATOM 870 O ASN A 55 1.673 11.532 3.330 1.00 0.00 O ATOM 871 CB ASN A 55 -1.065 11.259 2.923 1.00 0.00 C ATOM 872 CG ASN A 55 -1.039 11.937 4.295 1.00 0.00 C ATOM 873 OD1 ASN A 55 -0.319 12.892 4.531 1.00 0.00 O ATOM 874 ND2 ASN A 55 -1.863 11.389 5.183 1.00 0.00 N ATOM 0 H ASN A 55 -0.693 9.032 4.660 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.012 9.706 1.869 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.748 11.967 2.157 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.085 10.962 2.680 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.919 11.768 6.128 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.439 10.590 4.919 1.00 0.00 H new ATOM 881 N THR A 56 1.732 9.492 4.303 1.00 0.00 N ATOM 882 CA THR A 56 3.000 9.726 4.974 1.00 0.00 C ATOM 883 C THR A 56 4.124 8.965 4.268 1.00 0.00 C ATOM 884 O THR A 56 3.934 7.828 3.838 1.00 0.00 O ATOM 885 CB THR A 56 2.834 9.340 6.445 1.00 0.00 C ATOM 886 OG1 THR A 56 2.351 8.000 6.401 1.00 0.00 O ATOM 887 CG2 THR A 56 1.711 10.119 7.132 1.00 0.00 C ATOM 0 H THR A 56 1.323 8.573 4.473 1.00 0.00 H new ATOM 0 HA THR A 56 3.284 10.777 4.930 1.00 0.00 H new ATOM 0 HB THR A 56 3.772 9.514 6.973 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.217 7.670 7.314 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.636 9.807 8.174 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.929 11.186 7.088 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.767 9.920 6.625 1.00 0.00 H new ATOM 895 N ASP A 57 5.270 9.622 4.172 1.00 0.00 N ATOM 896 CA ASP A 57 6.426 9.022 3.526 1.00 0.00 C ATOM 897 C ASP A 57 6.850 7.776 4.307 1.00 0.00 C ATOM 898 O ASP A 57 7.126 7.852 5.503 1.00 0.00 O ATOM 899 CB ASP A 57 7.609 9.991 3.503 1.00 0.00 C ATOM 900 CG ASP A 57 7.294 11.382 2.948 1.00 0.00 C ATOM 901 OD1 ASP A 57 7.085 11.468 1.719 1.00 0.00 O ATOM 902 OD2 ASP A 57 7.271 12.327 3.766 1.00 0.00 O ATOM 0 H ASP A 57 5.423 10.564 4.531 1.00 0.00 H new ATOM 0 HA ASP A 57 6.148 8.769 2.503 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.991 10.099 4.518 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.408 9.551 2.907 1.00 0.00 H new ATOM 907 N ARG A 58 6.890 6.657 3.598 1.00 0.00 N ATOM 908 CA ARG A 58 7.277 5.397 4.209 1.00 0.00 C ATOM 909 C ARG A 58 6.184 4.914 5.166 1.00 0.00 C ATOM 910 O ARG A 58 6.481 4.375 6.230 1.00 0.00 O ATOM 911 CB ARG A 58 8.592 5.539 4.978 1.00 0.00 C ATOM 912 CG ARG A 58 9.524 6.537 4.289 1.00 0.00 C ATOM 913 CD ARG A 58 10.970 6.347 4.754 1.00 0.00 C ATOM 914 NE ARG A 58 11.441 4.989 4.399 1.00 0.00 N ATOM 915 CZ ARG A 58 12.544 4.421 4.903 1.00 0.00 C ATOM 916 NH1 ARG A 58 13.298 5.089 5.786 1.00 0.00 N ATOM 917 NH2 ARG A 58 12.894 3.184 4.523 1.00 0.00 N ATOM 0 H ARG A 58 6.661 6.597 2.606 1.00 0.00 H new ATOM 0 HA ARG A 58 7.414 4.669 3.410 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.388 5.870 5.996 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.082 4.568 5.050 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.466 6.408 3.208 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.199 7.554 4.507 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.611 7.096 4.290 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.036 6.494 5.832 1.00 0.00 H new ATOM 0 HE ARG A 58 10.891 4.452 3.728 1.00 0.00 H new ATOM 0 HH11 ARG A 58 13.032 6.030 6.075 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.138 4.656 6.170 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.320 2.676 3.850 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.734 2.751 4.907 1.00 0.00 H new ATOM 931 N CYS A 59 4.943 5.124 4.751 1.00 0.00 N ATOM 932 CA CYS A 59 3.805 4.717 5.558 1.00 0.00 C ATOM 933 C CYS A 59 3.641 3.202 5.426 1.00 0.00 C ATOM 934 O CYS A 59 3.323 2.521 6.401 1.00 0.00 O ATOM 935 CB CYS A 59 2.531 5.466 5.158 1.00 0.00 C ATOM 936 SG CYS A 59 1.651 4.765 3.715 1.00 0.00 S ATOM 0 H CYS A 59 4.701 5.571 3.867 1.00 0.00 H new ATOM 0 HA CYS A 59 3.986 4.973 6.602 1.00 0.00 H new ATOM 0 HB2 CYS A 59 1.851 5.479 6.010 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.789 6.503 4.941 1.00 0.00 H new ATOM 941 N ASN A 60 3.867 2.717 4.215 1.00 0.00 N ATOM 942 CA ASN A 60 3.748 1.294 3.943 1.00 0.00 C ATOM 943 C ASN A 60 5.123 0.636 4.081 1.00 0.00 C ATOM 944 O ASN A 60 5.934 1.053 4.908 1.00 0.00 O ATOM 945 CB ASN A 60 3.245 1.044 2.520 1.00 0.00 C ATOM 946 CG ASN A 60 4.350 1.308 1.494 1.00 0.00 C ATOM 947 OD1 ASN A 60 5.427 1.786 1.812 1.00 0.00 O ATOM 948 ND2 ASN A 60 4.023 0.973 0.250 1.00 0.00 N ATOM 0 H ASN A 60 4.132 3.284 3.410 1.00 0.00 H new ATOM 0 HA ASN A 60 3.038 0.874 4.655 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.897 0.015 2.429 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.391 1.689 2.314 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.691 1.112 -0.508 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.104 0.577 0.053 1.00 0.00 H new TER 955 ASN A 60