USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 706 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 106 HIS : no HD1:sc= -0.989 K(o=-1.8,f=-2.6) USER MOD Set 1.2: A 110 HIS : no HD1:sc= -0.821 K(o=-1.8,f=-2.6) USER MOD Set 2.1: A 48 ASN : amide:sc= -1.13 K(o=-5.5,f=-8.8!) USER MOD Set 2.2: A 52 ASN : amide:sc= -4.41! C(o=-5.5!,f=-3.9!) USER MOD Single : A 27 SER OG : rot 26:sc= -0.96 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -2.33 K(o=-2.3,f=-5.3!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -59:sc= 0.00685 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.7 K(o=-1.7,f=-4.6!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0445) USER MOD Single : A 51 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.44) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -158:sc= -0.0454 (180deg=-0.298) USER MOD Single : A 56 ASN : amide:sc= 0.322 X(o=0.32,f=-0.14) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 30:sc= -0.859 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= 0.147 K(o=0.15,f=-4.3!) USER MOD Single : A 66 LYS NZ :NH3+ -140:sc= 1.28 (180deg=0.837) USER MOD Single : A 70 LYS NZ :NH3+ 157:sc= -0.0439 (180deg=-0.274) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 76 SER OG : rot 180:sc= -0.876 USER MOD Single : A 77 THR OG1 : rot -74:sc= -0.582 USER MOD Single : A 80 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.027) USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.66 USER MOD Single : A 92 MET CE :methyl -109:sc= -1.27 (180deg=-3.6!) USER MOD Single : A 93 ASN : amide:sc=0.000204 K(o=0.0002,f=0.64) USER MOD Single : A 94 ASN : amide:sc= -1.23 K(o=-1.2,f=-0.4) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 ASN : amide:sc= 0.597 K(o=0.6,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 27 -8.740 -14.469 -6.296 1.00 0.00 N ATOM 16 CA SER A 27 -9.520 -13.327 -5.832 1.00 0.00 C ATOM 17 C SER A 27 -8.740 -12.027 -6.002 1.00 0.00 C ATOM 18 O SER A 27 -7.765 -11.775 -5.294 1.00 0.00 O ATOM 19 CB SER A 27 -9.911 -13.511 -4.365 1.00 0.00 C ATOM 20 OG SER A 27 -10.671 -14.693 -4.185 1.00 0.00 O ATOM 0 HA SER A 27 -10.424 -13.269 -6.438 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.013 -13.555 -3.749 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.487 -12.649 -4.028 1.00 0.00 H new ATOM 0 HG SER A 27 -10.456 -15.331 -4.897 1.00 0.00 H new ATOM 25 N LYS A 28 -9.179 -11.202 -6.947 1.00 0.00 N ATOM 26 CA LYS A 28 -8.524 -9.928 -7.211 1.00 0.00 C ATOM 27 C LYS A 28 -9.185 -8.805 -6.418 1.00 0.00 C ATOM 28 O LYS A 28 -10.410 -8.743 -6.313 1.00 0.00 O ATOM 29 CB LYS A 28 -8.567 -9.609 -8.707 1.00 0.00 C ATOM 30 CG LYS A 28 -7.302 -10.006 -9.449 1.00 0.00 C ATOM 31 CD LYS A 28 -7.381 -9.639 -10.920 1.00 0.00 C ATOM 32 CE LYS A 28 -6.015 -9.713 -11.587 1.00 0.00 C ATOM 33 NZ LYS A 28 -5.828 -8.628 -12.586 1.00 0.00 N ATOM 0 H LYS A 28 -9.985 -11.394 -7.542 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.484 -10.008 -6.895 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.418 -10.122 -9.155 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.735 -8.540 -8.838 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.443 -9.512 -8.995 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.142 -11.080 -9.349 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.072 -10.312 -11.428 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.784 -8.631 -11.024 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.236 -9.646 -10.828 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.901 -10.681 -12.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.886 -8.713 -13.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.556 -8.707 -13.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.911 -7.704 -12.115 1.00 0.00 H new ATOM 47 N GLN A 29 -8.367 -7.917 -5.864 1.00 0.00 N ATOM 48 CA GLN A 29 -8.875 -6.795 -5.083 1.00 0.00 C ATOM 49 C GLN A 29 -8.018 -5.557 -5.297 1.00 0.00 C ATOM 50 O GLN A 29 -6.790 -5.631 -5.311 1.00 0.00 O ATOM 51 CB GLN A 29 -8.928 -7.154 -3.594 1.00 0.00 C ATOM 52 CG GLN A 29 -10.334 -7.138 -3.016 1.00 0.00 C ATOM 53 CD GLN A 29 -10.802 -8.514 -2.581 1.00 0.00 C ATOM 54 OE1 GLN A 29 -10.014 -9.325 -2.094 1.00 0.00 O ATOM 55 NE2 GLN A 29 -12.090 -8.784 -2.757 1.00 0.00 N ATOM 0 H GLN A 29 -7.351 -7.952 -5.941 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.887 -6.576 -5.424 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.496 -8.145 -3.452 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.307 -6.453 -3.037 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.364 -6.461 -2.162 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.024 -6.742 -3.761 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.707 -8.082 -3.165 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.462 -9.694 -2.485 1.00 0.00 H new ATOM 64 N GLU A 30 -8.677 -4.418 -5.476 1.00 0.00 N ATOM 65 CA GLU A 30 -7.978 -3.164 -5.703 1.00 0.00 C ATOM 66 C GLU A 30 -8.584 -2.036 -4.871 1.00 0.00 C ATOM 67 O GLU A 30 -9.790 -1.790 -4.925 1.00 0.00 O ATOM 68 CB GLU A 30 -8.021 -2.816 -7.192 1.00 0.00 C ATOM 69 CG GLU A 30 -9.351 -2.243 -7.658 1.00 0.00 C ATOM 70 CD GLU A 30 -9.362 -0.727 -7.670 1.00 0.00 C ATOM 71 OE1 GLU A 30 -8.652 -0.122 -6.839 1.00 0.00 O ATOM 72 OE2 GLU A 30 -10.080 -0.145 -8.510 1.00 0.00 O ATOM 0 H GLU A 30 -9.694 -4.340 -5.468 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.940 -3.282 -5.391 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.232 -2.096 -7.409 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.802 -3.714 -7.770 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.570 -2.612 -8.660 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.146 -2.603 -7.005 1.00 0.00 H new ATOM 79 N LEU A 31 -7.740 -1.352 -4.105 1.00 0.00 N ATOM 80 CA LEU A 31 -8.193 -0.249 -3.266 1.00 0.00 C ATOM 81 C LEU A 31 -7.856 1.092 -3.909 1.00 0.00 C ATOM 82 O LEU A 31 -6.862 1.215 -4.625 1.00 0.00 O ATOM 83 CB LEU A 31 -7.558 -0.338 -1.876 1.00 0.00 C ATOM 84 CG LEU A 31 -7.698 -1.699 -1.187 1.00 0.00 C ATOM 85 CD1 LEU A 31 -6.331 -2.307 -0.914 1.00 0.00 C ATOM 86 CD2 LEU A 31 -8.490 -1.564 0.106 1.00 0.00 C ATOM 0 H LEU A 31 -6.739 -1.542 -4.048 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.276 -0.323 -3.164 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.498 -0.098 -1.961 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.007 0.423 -1.238 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.241 -2.366 -1.856 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.454 -3.273 -0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.798 -2.442 -1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.760 -1.642 -0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.579 -2.541 0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.974 -0.879 0.779 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.484 -1.176 -0.115 1.00 0.00 H new ATOM 98 N ILE A 32 -8.691 2.093 -3.655 1.00 0.00 N ATOM 99 CA ILE A 32 -8.481 3.422 -4.215 1.00 0.00 C ATOM 100 C ILE A 32 -8.097 4.423 -3.132 1.00 0.00 C ATOM 101 O ILE A 32 -8.961 5.052 -2.520 1.00 0.00 O ATOM 102 CB ILE A 32 -9.742 3.930 -4.941 1.00 0.00 C ATOM 103 CG1 ILE A 32 -10.250 2.875 -5.926 1.00 0.00 C ATOM 104 CG2 ILE A 32 -9.449 5.237 -5.659 1.00 0.00 C ATOM 105 CD1 ILE A 32 -9.290 2.596 -7.061 1.00 0.00 C ATOM 0 H ILE A 32 -9.519 2.009 -3.065 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.665 3.336 -4.932 1.00 0.00 H new ATOM 0 HB ILE A 32 -10.521 4.113 -4.201 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -10.441 1.948 -5.386 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -11.203 3.205 -6.340 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.349 5.583 -6.167 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.130 5.987 -4.935 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.657 5.080 -6.391 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -9.715 1.839 -7.719 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.118 3.512 -7.625 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -8.344 2.236 -6.657 1.00 0.00 H new ATOM 117 N LEU A 33 -6.796 4.571 -2.901 1.00 0.00 N ATOM 118 CA LEU A 33 -6.308 5.504 -1.892 1.00 0.00 C ATOM 119 C LEU A 33 -6.338 6.928 -2.419 1.00 0.00 C ATOM 120 O LEU A 33 -6.056 7.177 -3.588 1.00 0.00 O ATOM 121 CB LEU A 33 -4.885 5.144 -1.453 1.00 0.00 C ATOM 122 CG LEU A 33 -4.528 3.657 -1.526 1.00 0.00 C ATOM 123 CD1 LEU A 33 -3.146 3.416 -0.938 1.00 0.00 C ATOM 124 CD2 LEU A 33 -5.571 2.817 -0.802 1.00 0.00 C ATOM 0 H LEU A 33 -6.065 4.060 -3.396 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.968 5.432 -1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.181 5.699 -2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.743 5.484 -0.427 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.517 3.356 -2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.906 2.354 -0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.407 3.987 -1.500 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.134 3.734 0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.298 1.764 -0.866 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.617 3.117 0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.546 2.968 -1.266 1.00 0.00 H new ATOM 136 N VAL A 34 -6.690 7.865 -1.547 1.00 0.00 N ATOM 137 CA VAL A 34 -6.764 9.271 -1.921 1.00 0.00 C ATOM 138 C VAL A 34 -7.860 9.503 -2.951 1.00 0.00 C ATOM 139 O VAL A 34 -7.975 8.778 -3.934 1.00 0.00 O ATOM 140 CB VAL A 34 -5.423 9.767 -2.494 1.00 0.00 C ATOM 141 CG1 VAL A 34 -5.455 11.273 -2.708 1.00 0.00 C ATOM 142 CG2 VAL A 34 -4.270 9.375 -1.582 1.00 0.00 C ATOM 0 H VAL A 34 -6.929 7.675 -0.574 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.994 9.832 -1.015 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.267 9.289 -3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.499 11.603 -3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.252 11.524 -3.408 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.638 11.772 -1.756 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.332 9.735 -2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.418 9.819 -0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.233 8.290 -1.489 1.00 0.00 H new ATOM 152 N LEU A 35 -8.677 10.519 -2.695 1.00 0.00 N ATOM 153 CA LEU A 35 -9.780 10.862 -3.586 1.00 0.00 C ATOM 154 C LEU A 35 -9.352 11.898 -4.622 1.00 0.00 C ATOM 155 O LEU A 35 -9.322 11.614 -5.818 1.00 0.00 O ATOM 156 CB LEU A 35 -10.954 11.383 -2.774 1.00 0.00 C ATOM 157 CG LEU A 35 -12.313 10.767 -3.122 1.00 0.00 C ATOM 158 CD1 LEU A 35 -13.171 10.621 -1.876 1.00 0.00 C ATOM 159 CD2 LEU A 35 -13.034 11.623 -4.155 1.00 0.00 C ATOM 0 H LEU A 35 -8.596 11.121 -1.876 1.00 0.00 H new ATOM 0 HA LEU A 35 -10.082 9.961 -4.120 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.752 11.205 -1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -11.017 12.463 -2.909 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.141 9.776 -3.543 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.132 10.182 -2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.665 9.975 -1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.333 11.602 -1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.998 11.172 -4.392 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -13.190 12.624 -3.753 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.430 11.686 -5.060 1.00 0.00 H new ATOM 171 N LYS A 36 -9.024 13.097 -4.155 1.00 0.00 N ATOM 172 CA LYS A 36 -8.604 14.179 -5.043 1.00 0.00 C ATOM 173 C LYS A 36 -7.104 14.428 -4.925 1.00 0.00 C ATOM 174 O LYS A 36 -6.439 14.748 -5.914 1.00 0.00 O ATOM 175 CB LYS A 36 -9.373 15.456 -4.725 1.00 0.00 C ATOM 176 CG LYS A 36 -9.300 15.870 -3.261 1.00 0.00 C ATOM 177 CD LYS A 36 -9.541 17.360 -3.092 1.00 0.00 C ATOM 178 CE LYS A 36 -8.469 18.189 -3.783 1.00 0.00 C ATOM 179 NZ LYS A 36 -9.049 19.108 -4.800 1.00 0.00 N ATOM 0 H LYS A 36 -9.040 13.346 -3.166 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.824 13.880 -6.068 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.984 16.266 -5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.418 15.318 -5.002 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.040 15.313 -2.687 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.322 15.610 -2.857 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.519 17.618 -3.499 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -9.563 17.606 -2.030 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -7.923 18.769 -3.039 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.749 17.525 -4.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.287 19.655 -5.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.549 18.554 -5.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.717 19.758 -4.339 1.00 0.00 H new ATOM 193 N GLY A 37 -6.574 14.285 -3.716 1.00 0.00 N ATOM 194 CA GLY A 37 -5.150 14.502 -3.502 1.00 0.00 C ATOM 195 C GLY A 37 -4.885 15.477 -2.370 1.00 0.00 C ATOM 196 O GLY A 37 -4.504 15.083 -1.271 1.00 0.00 O ATOM 0 H GLY A 37 -7.099 14.024 -2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.668 13.550 -3.280 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.700 14.881 -4.419 1.00 0.00 H new ATOM 200 N GLU A 38 -5.083 16.770 -2.649 1.00 0.00 N ATOM 201 CA GLU A 38 -4.859 17.812 -1.653 1.00 0.00 C ATOM 202 C GLU A 38 -3.382 17.916 -1.289 1.00 0.00 C ATOM 203 O GLU A 38 -2.696 18.856 -1.701 1.00 0.00 O ATOM 204 CB GLU A 38 -5.689 17.531 -0.395 1.00 0.00 C ATOM 205 CG GLU A 38 -6.573 18.698 0.023 1.00 0.00 C ATOM 206 CD GLU A 38 -5.774 19.932 0.387 1.00 0.00 C ATOM 207 OE1 GLU A 38 -4.606 20.032 -0.051 1.00 0.00 O ATOM 208 OE2 GLU A 38 -6.311 20.796 1.106 1.00 0.00 O ATOM 0 H GLU A 38 -5.397 17.115 -3.556 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.173 18.763 -2.084 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.315 16.656 -0.570 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.017 17.283 0.426 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.258 18.940 -0.790 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.183 18.400 0.876 1.00 0.00 H new ATOM 215 N LEU A 39 -2.890 16.947 -0.528 1.00 0.00 N ATOM 216 CA LEU A 39 -1.492 16.932 -0.116 1.00 0.00 C ATOM 217 C LEU A 39 -0.634 16.166 -1.125 1.00 0.00 C ATOM 218 O LEU A 39 -0.848 14.984 -1.370 1.00 0.00 O ATOM 219 CB LEU A 39 -1.354 16.295 1.269 1.00 0.00 C ATOM 220 CG LEU A 39 -0.826 17.224 2.354 1.00 0.00 C ATOM 221 CD1 LEU A 39 -1.490 16.928 3.693 1.00 0.00 C ATOM 222 CD2 LEU A 39 0.687 17.097 2.470 1.00 0.00 C ATOM 0 H LEU A 39 -3.439 16.160 -0.183 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.141 17.963 -0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.329 15.917 1.578 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.689 15.435 1.192 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.070 18.249 2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.096 17.604 4.452 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.567 17.070 3.604 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.282 15.898 3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.050 17.767 3.249 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.947 16.070 2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.148 17.363 1.519 1.00 0.00 H new ATOM 283 N SER A 43 4.348 13.060 -0.446 1.00 0.00 N ATOM 284 CA SER A 43 4.253 11.867 -1.288 1.00 0.00 C ATOM 285 C SER A 43 4.379 10.600 -0.442 1.00 0.00 C ATOM 286 O SER A 43 5.049 9.645 -0.830 1.00 0.00 O ATOM 287 CB SER A 43 5.343 11.888 -2.357 1.00 0.00 C ATOM 288 OG SER A 43 5.001 11.054 -3.447 1.00 0.00 O ATOM 0 HA SER A 43 3.277 11.867 -1.774 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.493 12.909 -2.709 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.288 11.558 -1.925 1.00 0.00 H new ATOM 0 HG SER A 43 4.873 10.136 -3.129 1.00 0.00 H new ATOM 294 N LYS A 44 3.732 10.606 0.717 1.00 0.00 N ATOM 295 CA LYS A 44 3.773 9.458 1.625 1.00 0.00 C ATOM 296 C LYS A 44 2.831 8.344 1.147 1.00 0.00 C ATOM 297 O LYS A 44 2.792 7.269 1.741 1.00 0.00 O ATOM 298 CB LYS A 44 3.389 9.886 3.035 1.00 0.00 C ATOM 299 CG LYS A 44 4.188 11.073 3.553 1.00 0.00 C ATOM 300 CD LYS A 44 4.277 11.071 5.071 1.00 0.00 C ATOM 301 CE LYS A 44 3.474 12.204 5.684 1.00 0.00 C ATOM 302 NZ LYS A 44 2.008 11.996 5.507 1.00 0.00 N ATOM 0 H LYS A 44 3.173 11.390 1.053 1.00 0.00 H new ATOM 0 HA LYS A 44 4.792 9.071 1.631 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.329 10.138 3.053 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.528 9.043 3.712 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.192 11.049 3.129 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.723 12.000 3.217 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.913 10.118 5.455 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.320 11.159 5.374 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.705 12.282 6.746 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.766 13.148 5.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.490 12.789 5.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.784 11.947 4.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.725 11.107 5.967 1.00 0.00 H new ATOM 316 N ASN A 45 2.076 8.604 0.083 1.00 0.00 N ATOM 317 CA ASN A 45 1.154 7.623 -0.454 1.00 0.00 C ATOM 318 C ASN A 45 1.874 6.323 -0.800 1.00 0.00 C ATOM 319 O ASN A 45 1.625 5.284 -0.190 1.00 0.00 O ATOM 320 CB ASN A 45 0.455 8.177 -1.697 1.00 0.00 C ATOM 321 CG ASN A 45 -0.749 9.031 -1.352 1.00 0.00 C ATOM 322 OD1 ASN A 45 -1.689 8.564 -0.697 1.00 0.00 O ATOM 323 ND2 ASN A 45 -0.730 10.284 -1.781 1.00 0.00 N ATOM 0 H ASN A 45 2.089 9.490 -0.422 1.00 0.00 H new ATOM 0 HA ASN A 45 0.408 7.409 0.312 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.164 8.770 -2.275 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.140 7.349 -2.332 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.512 10.906 -1.574 1.00 0.00 H new ATOM 0 HD22 ASN A 45 0.066 10.627 -2.318 1.00 0.00 H new ATOM 330 N MET A 46 2.765 6.385 -1.777 1.00 0.00 N ATOM 331 CA MET A 46 3.524 5.211 -2.202 1.00 0.00 C ATOM 332 C MET A 46 4.213 4.552 -1.011 1.00 0.00 C ATOM 333 O MET A 46 4.181 3.331 -0.861 1.00 0.00 O ATOM 334 CB MET A 46 4.560 5.596 -3.262 1.00 0.00 C ATOM 335 CG MET A 46 5.300 6.892 -2.955 1.00 0.00 C ATOM 336 SD MET A 46 7.071 6.648 -2.750 1.00 0.00 S ATOM 337 CE MET A 46 7.672 7.174 -4.353 1.00 0.00 C ATOM 0 H MET A 46 2.983 7.237 -2.294 1.00 0.00 H new ATOM 0 HA MET A 46 2.826 4.496 -2.637 1.00 0.00 H new ATOM 0 HB2 MET A 46 5.285 4.788 -3.358 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.061 5.693 -4.226 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.126 7.605 -3.761 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.890 7.333 -2.046 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.758 7.081 -4.383 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.233 6.548 -5.130 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.392 8.214 -4.523 1.00 0.00 H new ATOM 347 N LYS A 47 4.823 5.370 -0.172 1.00 0.00 N ATOM 348 CA LYS A 47 5.510 4.868 1.008 1.00 0.00 C ATOM 349 C LYS A 47 4.527 4.180 1.952 1.00 0.00 C ATOM 350 O LYS A 47 4.893 3.277 2.695 1.00 0.00 O ATOM 351 CB LYS A 47 6.218 6.012 1.739 1.00 0.00 C ATOM 352 CG LYS A 47 7.156 6.812 0.860 1.00 0.00 C ATOM 353 CD LYS A 47 7.438 8.187 1.438 1.00 0.00 C ATOM 354 CE LYS A 47 8.893 8.593 1.239 1.00 0.00 C ATOM 355 NZ LYS A 47 9.254 8.636 -0.204 1.00 0.00 N ATOM 0 H LYS A 47 4.858 6.383 -0.284 1.00 0.00 H new ATOM 0 HA LYS A 47 6.253 4.139 0.685 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.468 6.682 2.158 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.782 5.601 2.577 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.094 6.269 0.741 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.721 6.918 -0.134 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.787 8.922 0.964 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.201 8.190 2.502 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.063 9.572 1.687 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.543 7.888 1.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.197 9.060 -0.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.262 7.670 -0.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.556 9.209 -0.720 1.00 0.00 H new ATOM 369 N ASN A 48 3.274 4.617 1.900 1.00 0.00 N ATOM 370 CA ASN A 48 2.227 4.042 2.736 1.00 0.00 C ATOM 371 C ASN A 48 1.955 2.599 2.348 1.00 0.00 C ATOM 372 O ASN A 48 1.765 1.738 3.206 1.00 0.00 O ATOM 373 CB ASN A 48 0.950 4.871 2.633 1.00 0.00 C ATOM 374 CG ASN A 48 0.041 4.689 3.832 1.00 0.00 C ATOM 375 OD1 ASN A 48 -0.957 3.970 3.765 1.00 0.00 O ATOM 376 ND2 ASN A 48 0.375 5.339 4.934 1.00 0.00 N ATOM 0 H ASN A 48 2.958 5.369 1.287 1.00 0.00 H new ATOM 0 HA ASN A 48 2.571 4.056 3.770 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.212 5.925 2.536 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.412 4.592 1.727 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.202 5.255 5.771 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.210 5.924 4.947 1.00 0.00 H new ATOM 383 N VAL A 49 1.937 2.336 1.045 1.00 0.00 N ATOM 384 CA VAL A 49 1.685 0.992 0.544 1.00 0.00 C ATOM 385 C VAL A 49 2.835 0.056 0.891 1.00 0.00 C ATOM 386 O VAL A 49 2.619 -1.078 1.313 1.00 0.00 O ATOM 387 CB VAL A 49 1.477 0.975 -0.982 1.00 0.00 C ATOM 388 CG1 VAL A 49 1.032 -0.407 -1.445 1.00 0.00 C ATOM 389 CG2 VAL A 49 0.472 2.040 -1.397 1.00 0.00 C ATOM 0 H VAL A 49 2.094 3.035 0.319 1.00 0.00 H new ATOM 0 HA VAL A 49 0.770 0.649 1.027 1.00 0.00 H new ATOM 0 HB VAL A 49 2.428 1.203 -1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.890 -0.400 -2.526 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.794 -1.141 -1.184 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.093 -0.669 -0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.338 2.012 -2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.483 1.849 -0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.840 3.023 -1.102 1.00 0.00 H new ATOM 399 N ILE A 50 4.059 0.539 0.712 1.00 0.00 N ATOM 400 CA ILE A 50 5.239 -0.259 1.011 1.00 0.00 C ATOM 401 C ILE A 50 5.228 -0.704 2.467 1.00 0.00 C ATOM 402 O ILE A 50 5.652 -1.813 2.796 1.00 0.00 O ATOM 403 CB ILE A 50 6.534 0.521 0.727 1.00 0.00 C ATOM 404 CG1 ILE A 50 6.538 1.033 -0.720 1.00 0.00 C ATOM 405 CG2 ILE A 50 7.753 -0.352 0.981 1.00 0.00 C ATOM 406 CD1 ILE A 50 6.502 -0.070 -1.747 1.00 0.00 C ATOM 0 H ILE A 50 4.259 1.476 0.362 1.00 0.00 H new ATOM 0 HA ILE A 50 5.212 -1.134 0.362 1.00 0.00 H new ATOM 0 HB ILE A 50 6.577 1.375 1.402 1.00 0.00 H new ATOM 0 HG12 ILE A 50 5.678 1.686 -0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.430 1.639 -0.880 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.659 0.218 0.774 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.758 -0.676 2.022 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.717 -1.225 0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.507 0.364 -2.747 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.376 -0.710 -1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.597 -0.663 -1.613 1.00 0.00 H new ATOM 418 N ASN A 51 4.745 0.173 3.340 1.00 0.00 N ATOM 419 CA ASN A 51 4.683 -0.122 4.770 1.00 0.00 C ATOM 420 C ASN A 51 3.531 -1.075 5.078 1.00 0.00 C ATOM 421 O ASN A 51 3.720 -2.107 5.719 1.00 0.00 O ATOM 422 CB ASN A 51 4.516 1.169 5.571 1.00 0.00 C ATOM 423 CG ASN A 51 5.774 2.021 5.562 1.00 0.00 C ATOM 424 OD1 ASN A 51 6.866 1.540 5.864 1.00 0.00 O ATOM 425 ND2 ASN A 51 5.617 3.291 5.210 1.00 0.00 N ATOM 0 H ASN A 51 4.390 1.094 3.084 1.00 0.00 H new ATOM 0 HA ASN A 51 5.618 -0.603 5.058 1.00 0.00 H new ATOM 0 HB2 ASN A 51 3.687 1.745 5.159 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.253 0.924 6.600 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.423 3.916 5.181 1.00 0.00 H new ATOM 0 HD22 ASN A 51 4.690 3.642 4.968 1.00 0.00 H new ATOM 432 N ASN A 52 2.338 -0.723 4.615 1.00 0.00 N ATOM 433 CA ASN A 52 1.158 -1.549 4.845 1.00 0.00 C ATOM 434 C ASN A 52 1.274 -2.879 4.109 1.00 0.00 C ATOM 435 O ASN A 52 1.151 -3.945 4.712 1.00 0.00 O ATOM 436 CB ASN A 52 -0.106 -0.810 4.400 1.00 0.00 C ATOM 437 CG ASN A 52 -0.376 0.424 5.238 1.00 0.00 C ATOM 438 OD1 ASN A 52 -0.555 0.338 6.453 1.00 0.00 O ATOM 439 ND2 ASN A 52 -0.407 1.584 4.591 1.00 0.00 N ATOM 0 H ASN A 52 2.161 0.127 4.079 1.00 0.00 H new ATOM 0 HA ASN A 52 1.090 -1.752 5.914 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.006 -0.521 3.354 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -0.960 -1.484 4.464 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.584 2.449 5.102 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.253 1.610 3.583 1.00 0.00 H new ATOM 446 N ALA A 53 1.518 -2.810 2.805 1.00 0.00 N ATOM 447 CA ALA A 53 1.658 -4.010 1.991 1.00 0.00 C ATOM 448 C ALA A 53 2.725 -4.936 2.569 1.00 0.00 C ATOM 449 O ALA A 53 2.638 -6.159 2.440 1.00 0.00 O ATOM 450 CB ALA A 53 1.996 -3.638 0.555 1.00 0.00 C ATOM 0 H ALA A 53 1.623 -1.936 2.290 1.00 0.00 H new ATOM 0 HA ALA A 53 0.707 -4.542 1.998 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.098 -4.545 -0.041 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.199 -3.019 0.142 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.934 -3.083 0.534 1.00 0.00 H new ATOM 456 N LYS A 54 3.726 -4.344 3.213 1.00 0.00 N ATOM 457 CA LYS A 54 4.800 -5.118 3.814 1.00 0.00 C ATOM 458 C LYS A 54 4.359 -5.700 5.152 1.00 0.00 C ATOM 459 O LYS A 54 4.607 -6.870 5.443 1.00 0.00 O ATOM 460 CB LYS A 54 6.040 -4.242 4.011 1.00 0.00 C ATOM 461 CG LYS A 54 7.208 -4.969 4.667 1.00 0.00 C ATOM 462 CD LYS A 54 8.297 -5.307 3.658 1.00 0.00 C ATOM 463 CE LYS A 54 8.629 -6.791 3.669 1.00 0.00 C ATOM 464 NZ LYS A 54 9.220 -7.237 2.379 1.00 0.00 N ATOM 0 H LYS A 54 3.813 -3.335 3.330 1.00 0.00 H new ATOM 0 HA LYS A 54 5.048 -5.939 3.141 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.360 -3.859 3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.771 -3.380 4.622 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.626 -4.347 5.459 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.849 -5.885 5.137 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.973 -5.014 2.660 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.194 -4.731 3.884 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.327 -7.001 4.480 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.724 -7.364 3.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.432 -8.254 2.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.544 -7.060 1.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.097 -6.709 2.198 1.00 0.00 H new ATOM 478 N LYS A 55 3.687 -4.881 5.952 1.00 0.00 N ATOM 479 CA LYS A 55 3.202 -5.317 7.256 1.00 0.00 C ATOM 480 C LYS A 55 2.216 -6.468 7.096 1.00 0.00 C ATOM 481 O LYS A 55 2.118 -7.340 7.959 1.00 0.00 O ATOM 482 CB LYS A 55 2.531 -4.156 7.991 1.00 0.00 C ATOM 483 CG LYS A 55 3.520 -3.226 8.680 1.00 0.00 C ATOM 484 CD LYS A 55 2.809 -2.070 9.366 1.00 0.00 C ATOM 485 CE LYS A 55 3.628 -1.526 10.528 1.00 0.00 C ATOM 486 NZ LYS A 55 3.683 -2.490 11.660 1.00 0.00 N ATOM 0 H LYS A 55 3.466 -3.912 5.721 1.00 0.00 H new ATOM 0 HA LYS A 55 4.054 -5.660 7.843 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.937 -3.581 7.281 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.841 -4.556 8.734 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.098 -3.787 9.414 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.227 -2.837 7.947 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.625 -1.274 8.644 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.836 -2.403 9.729 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.640 -1.305 10.188 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.195 -0.586 10.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.906 -1.981 12.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.762 -2.963 11.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.420 -3.201 11.475 1.00 0.00 H new ATOM 500 N ASN A 56 1.493 -6.463 5.981 1.00 0.00 N ATOM 501 CA ASN A 56 0.519 -7.509 5.697 1.00 0.00 C ATOM 502 C ASN A 56 1.222 -8.807 5.316 1.00 0.00 C ATOM 503 O ASN A 56 0.915 -9.872 5.852 1.00 0.00 O ATOM 504 CB ASN A 56 -0.420 -7.072 4.572 1.00 0.00 C ATOM 505 CG ASN A 56 -1.506 -6.131 5.057 1.00 0.00 C ATOM 506 OD1 ASN A 56 -2.452 -6.548 5.727 1.00 0.00 O ATOM 507 ND2 ASN A 56 -1.375 -4.853 4.721 1.00 0.00 N ATOM 0 H ASN A 56 1.564 -5.746 5.259 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.069 -7.682 6.598 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.159 -6.582 3.789 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.880 -7.953 4.124 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.074 -4.173 5.019 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.575 -4.551 4.165 1.00 0.00 H new ATOM 514 N LEU A 57 2.175 -8.709 4.392 1.00 0.00 N ATOM 515 CA LEU A 57 2.930 -9.876 3.943 1.00 0.00 C ATOM 516 C LEU A 57 3.477 -10.657 5.135 1.00 0.00 C ATOM 517 O LEU A 57 3.163 -11.834 5.319 1.00 0.00 O ATOM 518 CB LEU A 57 4.083 -9.444 3.033 1.00 0.00 C ATOM 519 CG LEU A 57 3.684 -9.117 1.593 1.00 0.00 C ATOM 520 CD1 LEU A 57 4.562 -8.006 1.036 1.00 0.00 C ATOM 521 CD2 LEU A 57 3.776 -10.360 0.722 1.00 0.00 C ATOM 0 H LEU A 57 2.442 -7.835 3.940 1.00 0.00 H new ATOM 0 HA LEU A 57 2.255 -10.523 3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.561 -8.567 3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.829 -10.238 3.016 1.00 0.00 H new ATOM 0 HG LEU A 57 2.651 -8.771 1.590 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.264 -7.786 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.447 -7.111 1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.604 -8.324 1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.489 -10.111 -0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.799 -10.735 0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.106 -11.127 1.110 1.00 0.00 H new ATOM 533 N GLU A 58 4.287 -9.991 5.942 1.00 0.00 N ATOM 534 CA GLU A 58 4.874 -10.614 7.121 1.00 0.00 C ATOM 535 C GLU A 58 3.785 -11.091 8.076 1.00 0.00 C ATOM 536 O GLU A 58 3.984 -12.031 8.842 1.00 0.00 O ATOM 537 CB GLU A 58 5.806 -9.634 7.839 1.00 0.00 C ATOM 538 CG GLU A 58 5.203 -8.250 8.023 1.00 0.00 C ATOM 539 CD GLU A 58 5.405 -7.711 9.425 1.00 0.00 C ATOM 540 OE1 GLU A 58 6.574 -7.558 9.840 1.00 0.00 O ATOM 541 OE2 GLU A 58 4.395 -7.441 10.109 1.00 0.00 O ATOM 0 H GLU A 58 4.554 -9.017 5.803 1.00 0.00 H new ATOM 0 HA GLU A 58 5.455 -11.477 6.794 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.066 -10.041 8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.733 -9.546 7.273 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.652 -7.563 7.305 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.136 -8.290 7.803 1.00 0.00 H new ATOM 548 N LYS A 59 2.626 -10.441 8.018 1.00 0.00 N ATOM 549 CA LYS A 59 1.503 -10.806 8.874 1.00 0.00 C ATOM 550 C LYS A 59 1.094 -12.255 8.633 1.00 0.00 C ATOM 551 O LYS A 59 0.715 -12.967 9.562 1.00 0.00 O ATOM 552 CB LYS A 59 0.315 -9.876 8.620 1.00 0.00 C ATOM 553 CG LYS A 59 -0.352 -9.381 9.892 1.00 0.00 C ATOM 554 CD LYS A 59 0.356 -8.165 10.455 1.00 0.00 C ATOM 555 CE LYS A 59 0.641 -8.323 11.942 1.00 0.00 C ATOM 556 NZ LYS A 59 -0.394 -7.659 12.780 1.00 0.00 N ATOM 0 H LYS A 59 2.441 -9.660 7.388 1.00 0.00 H new ATOM 0 HA LYS A 59 1.816 -10.701 9.913 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.654 -9.018 8.039 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.423 -10.400 8.013 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.393 -9.133 9.685 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.355 -10.178 10.636 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.292 -8.007 9.919 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.257 -7.279 10.293 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.685 -9.383 12.192 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.619 -7.900 12.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.163 -7.790 13.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.419 -6.643 12.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.324 -8.080 12.581 1.00 0.00 H new ATOM 570 N TYR A 60 1.178 -12.685 7.378 1.00 0.00 N ATOM 571 CA TYR A 60 0.821 -14.050 7.012 1.00 0.00 C ATOM 572 C TYR A 60 1.967 -15.005 7.321 1.00 0.00 C ATOM 573 O TYR A 60 1.748 -16.154 7.703 1.00 0.00 O ATOM 574 CB TYR A 60 0.468 -14.135 5.525 1.00 0.00 C ATOM 575 CG TYR A 60 -0.273 -12.925 4.999 1.00 0.00 C ATOM 576 CD1 TYR A 60 -1.591 -12.682 5.360 1.00 0.00 C ATOM 577 CD2 TYR A 60 0.349 -12.028 4.139 1.00 0.00 C ATOM 578 CE1 TYR A 60 -2.270 -11.578 4.879 1.00 0.00 C ATOM 579 CE2 TYR A 60 -0.323 -10.923 3.654 1.00 0.00 C ATOM 580 CZ TYR A 60 -1.632 -10.702 4.027 1.00 0.00 C ATOM 581 OH TYR A 60 -2.305 -9.603 3.545 1.00 0.00 O ATOM 0 H TYR A 60 1.490 -12.107 6.598 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.050 -14.339 7.600 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.386 -14.264 4.951 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.141 -15.023 5.357 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.094 -13.366 6.027 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.374 -12.198 3.845 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.295 -11.403 5.169 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.174 -10.235 2.986 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.973 -9.314 4.202 1.00 0.00 H new ATOM 591 N PHE A 61 3.192 -14.519 7.151 1.00 0.00 N ATOM 592 CA PHE A 61 4.378 -15.328 7.408 1.00 0.00 C ATOM 593 C PHE A 61 4.656 -15.440 8.903 1.00 0.00 C ATOM 594 O PHE A 61 5.285 -16.394 9.351 1.00 0.00 O ATOM 595 CB PHE A 61 5.588 -14.728 6.694 1.00 0.00 C ATOM 596 CG PHE A 61 6.617 -15.748 6.296 1.00 0.00 C ATOM 597 CD1 PHE A 61 7.469 -16.301 7.236 1.00 0.00 C ATOM 598 CD2 PHE A 61 6.727 -16.157 4.977 1.00 0.00 C ATOM 599 CE1 PHE A 61 8.413 -17.241 6.869 1.00 0.00 C ATOM 600 CE2 PHE A 61 7.669 -17.098 4.603 1.00 0.00 C ATOM 601 CZ PHE A 61 8.510 -17.642 5.549 1.00 0.00 C ATOM 0 H PHE A 61 3.390 -13.569 6.836 1.00 0.00 H new ATOM 0 HA PHE A 61 4.193 -16.330 7.022 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.249 -14.199 5.803 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.054 -13.989 7.345 1.00 0.00 H new ATOM 0 HD1 PHE A 61 7.395 -15.994 8.269 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.069 -15.736 4.231 1.00 0.00 H new ATOM 0 HE1 PHE A 61 9.074 -17.662 7.612 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.745 -17.406 3.571 1.00 0.00 H new ATOM 0 HZ PHE A 61 9.244 -18.380 5.260 1.00 0.00 H new ATOM 611 N LYS A 62 4.191 -14.458 9.669 1.00 0.00 N ATOM 612 CA LYS A 62 4.396 -14.453 11.110 1.00 0.00 C ATOM 613 C LYS A 62 3.290 -15.220 11.830 1.00 0.00 C ATOM 614 O LYS A 62 3.534 -15.844 12.867 1.00 0.00 O ATOM 615 CB LYS A 62 4.458 -13.017 11.629 1.00 0.00 C ATOM 616 CG LYS A 62 5.290 -12.862 12.895 1.00 0.00 C ATOM 617 CD LYS A 62 4.687 -11.834 13.840 1.00 0.00 C ATOM 618 CE LYS A 62 5.023 -12.141 15.287 1.00 0.00 C ATOM 619 NZ LYS A 62 4.029 -11.550 16.226 1.00 0.00 N ATOM 0 H LYS A 62 3.670 -13.656 9.314 1.00 0.00 H new ATOM 0 HA LYS A 62 5.343 -14.951 11.315 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.873 -12.376 10.851 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.445 -12.666 11.825 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.364 -13.824 13.402 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.304 -12.563 12.630 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.057 -10.841 13.583 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.605 -11.814 13.714 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.060 -13.221 15.430 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.016 -11.755 15.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.295 -11.783 17.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.012 -10.517 16.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.086 -11.937 16.022 1.00 0.00 H new ATOM 633 N GLU A 63 2.083 -15.159 11.293 1.00 0.00 N ATOM 634 CA GLU A 63 0.946 -15.843 11.898 1.00 0.00 C ATOM 635 C GLU A 63 0.757 -17.237 11.304 1.00 0.00 C ATOM 636 O GLU A 63 0.642 -18.221 12.035 1.00 0.00 O ATOM 637 CB GLU A 63 -0.329 -15.017 11.711 1.00 0.00 C ATOM 638 CG GLU A 63 -1.132 -14.842 12.989 1.00 0.00 C ATOM 639 CD GLU A 63 -2.099 -13.677 12.915 1.00 0.00 C ATOM 640 OE1 GLU A 63 -1.750 -12.654 12.287 1.00 0.00 O ATOM 641 OE2 GLU A 63 -3.206 -13.787 13.482 1.00 0.00 O ATOM 0 H GLU A 63 1.862 -14.644 10.440 1.00 0.00 H new ATOM 0 HA GLU A 63 1.150 -15.953 12.963 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.062 -14.034 11.322 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.956 -15.497 10.960 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.687 -15.758 13.193 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.449 -14.690 13.825 1.00 0.00 H new ATOM 648 N HIS A 64 0.720 -17.314 9.978 1.00 0.00 N ATOM 649 CA HIS A 64 0.538 -18.592 9.296 1.00 0.00 C ATOM 650 C HIS A 64 1.876 -19.255 8.979 1.00 0.00 C ATOM 651 O HIS A 64 1.928 -20.248 8.254 1.00 0.00 O ATOM 652 CB HIS A 64 -0.273 -18.400 8.012 1.00 0.00 C ATOM 653 CG HIS A 64 -1.703 -18.822 8.143 1.00 0.00 C ATOM 654 ND1 HIS A 64 -2.101 -19.916 8.883 1.00 0.00 N ATOM 655 CD2 HIS A 64 -2.836 -18.290 7.624 1.00 0.00 C ATOM 656 CE1 HIS A 64 -3.415 -20.039 8.813 1.00 0.00 C ATOM 657 NE2 HIS A 64 -3.884 -19.065 8.055 1.00 0.00 N ATOM 0 H HIS A 64 0.813 -16.511 9.356 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.010 -19.251 9.970 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.237 -17.350 7.722 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.194 -18.969 7.208 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -2.902 -17.419 6.989 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.005 -20.806 9.294 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -4.866 -18.913 7.827 1.00 0.00 H new ATOM 666 N PHE A 65 2.951 -18.702 9.528 1.00 0.00 N ATOM 667 CA PHE A 65 4.290 -19.242 9.309 1.00 0.00 C ATOM 668 C PHE A 65 4.534 -19.532 7.829 1.00 0.00 C ATOM 669 O PHE A 65 5.299 -20.431 7.479 1.00 0.00 O ATOM 670 CB PHE A 65 4.489 -20.515 10.132 1.00 0.00 C ATOM 671 CG PHE A 65 5.821 -20.583 10.817 1.00 0.00 C ATOM 672 CD1 PHE A 65 5.991 -20.033 12.073 1.00 0.00 C ATOM 673 CD2 PHE A 65 6.898 -21.199 10.201 1.00 0.00 C ATOM 674 CE1 PHE A 65 7.221 -20.092 12.712 1.00 0.00 C ATOM 675 CE2 PHE A 65 8.126 -21.264 10.830 1.00 0.00 C ATOM 676 CZ PHE A 65 8.290 -20.708 12.090 1.00 0.00 C ATOM 0 H PHE A 65 2.923 -17.879 10.129 1.00 0.00 H new ATOM 0 HA PHE A 65 5.011 -18.491 9.632 1.00 0.00 H new ATOM 0 HB2 PHE A 65 3.700 -20.580 10.882 1.00 0.00 H new ATOM 0 HB3 PHE A 65 4.381 -21.381 9.479 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.157 -19.552 12.563 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.776 -21.633 9.219 1.00 0.00 H new ATOM 0 HE1 PHE A 65 7.343 -19.657 13.693 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.958 -21.748 10.341 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.250 -20.756 12.583 1.00 0.00 H new ATOM 686 N LYS A 66 3.876 -18.766 6.964 1.00 0.00 N ATOM 687 CA LYS A 66 4.020 -18.941 5.523 1.00 0.00 C ATOM 688 C LYS A 66 3.305 -17.825 4.768 1.00 0.00 C ATOM 689 O LYS A 66 2.776 -16.891 5.373 1.00 0.00 O ATOM 690 CB LYS A 66 3.465 -20.304 5.097 1.00 0.00 C ATOM 691 CG LYS A 66 4.520 -21.236 4.522 1.00 0.00 C ATOM 692 CD LYS A 66 4.736 -22.453 5.408 1.00 0.00 C ATOM 693 CE LYS A 66 6.206 -22.834 5.488 1.00 0.00 C ATOM 694 NZ LYS A 66 6.780 -22.557 6.834 1.00 0.00 N ATOM 0 H LYS A 66 3.238 -18.018 7.236 1.00 0.00 H new ATOM 0 HA LYS A 66 5.081 -18.898 5.278 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.999 -20.783 5.958 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.682 -20.152 4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.216 -21.560 3.526 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.460 -20.696 4.409 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.358 -22.246 6.409 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.162 -23.294 5.018 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.320 -23.893 5.256 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.766 -22.281 4.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.740 -22.172 6.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.182 -21.866 7.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.819 -23.439 7.383 1.00 0.00 H new ATOM 708 N GLU A 67 3.290 -17.928 3.443 1.00 0.00 N ATOM 709 CA GLU A 67 2.640 -16.928 2.605 1.00 0.00 C ATOM 710 C GLU A 67 1.722 -17.590 1.582 1.00 0.00 C ATOM 711 O GLU A 67 2.033 -18.655 1.051 1.00 0.00 O ATOM 712 CB GLU A 67 3.687 -16.072 1.890 1.00 0.00 C ATOM 713 CG GLU A 67 4.634 -16.875 1.014 1.00 0.00 C ATOM 714 CD GLU A 67 5.992 -17.079 1.659 1.00 0.00 C ATOM 715 OE1 GLU A 67 6.736 -16.086 1.802 1.00 0.00 O ATOM 716 OE2 GLU A 67 6.311 -18.231 2.018 1.00 0.00 O ATOM 0 H GLU A 67 3.721 -18.695 2.927 1.00 0.00 H new ATOM 0 HA GLU A 67 2.036 -16.288 3.248 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.179 -15.329 1.275 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.268 -15.527 2.634 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.188 -17.846 0.798 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.762 -16.364 0.060 1.00 0.00 H new ATOM 723 N PHE A 68 0.590 -16.950 1.309 1.00 0.00 N ATOM 724 CA PHE A 68 -0.375 -17.476 0.350 1.00 0.00 C ATOM 725 C PHE A 68 -1.167 -16.345 -0.299 1.00 0.00 C ATOM 726 O PHE A 68 -2.356 -16.490 -0.583 1.00 0.00 O ATOM 727 CB PHE A 68 -1.328 -18.455 1.038 1.00 0.00 C ATOM 728 CG PHE A 68 -0.626 -19.578 1.747 1.00 0.00 C ATOM 729 CD1 PHE A 68 0.041 -20.559 1.030 1.00 0.00 C ATOM 730 CD2 PHE A 68 -0.632 -19.652 3.131 1.00 0.00 C ATOM 731 CE1 PHE A 68 0.688 -21.592 1.679 1.00 0.00 C ATOM 732 CE2 PHE A 68 0.014 -20.683 3.786 1.00 0.00 C ATOM 733 CZ PHE A 68 0.675 -21.655 3.060 1.00 0.00 C ATOM 0 H PHE A 68 0.318 -16.066 1.739 1.00 0.00 H new ATOM 0 HA PHE A 68 0.174 -18.004 -0.429 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.940 -17.909 1.756 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.006 -18.873 0.294 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.055 -20.515 -0.049 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.147 -18.895 3.704 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.204 -22.350 1.108 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.002 -20.729 4.865 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.180 -22.462 3.570 1.00 0.00 H new ATOM 743 N ASP A 69 -0.500 -15.219 -0.529 1.00 0.00 N ATOM 744 CA ASP A 69 -1.140 -14.062 -1.143 1.00 0.00 C ATOM 745 C ASP A 69 -0.102 -13.038 -1.592 1.00 0.00 C ATOM 746 O ASP A 69 1.026 -13.028 -1.101 1.00 0.00 O ATOM 747 CB ASP A 69 -2.120 -13.415 -0.163 1.00 0.00 C ATOM 748 CG ASP A 69 -1.482 -13.115 1.180 1.00 0.00 C ATOM 749 OD1 ASP A 69 -0.323 -12.649 1.195 1.00 0.00 O ATOM 750 OD2 ASP A 69 -2.141 -13.346 2.215 1.00 0.00 O ATOM 0 H ASP A 69 0.484 -15.083 -0.299 1.00 0.00 H new ATOM 0 HA ASP A 69 -1.687 -14.406 -2.021 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -2.504 -12.490 -0.594 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.974 -14.077 -0.017 1.00 0.00 H new ATOM 755 N LYS A 70 -0.492 -12.178 -2.527 1.00 0.00 N ATOM 756 CA LYS A 70 0.403 -11.149 -3.043 1.00 0.00 C ATOM 757 C LYS A 70 -0.262 -9.777 -2.993 1.00 0.00 C ATOM 758 O LYS A 70 -1.479 -9.659 -3.141 1.00 0.00 O ATOM 759 CB LYS A 70 0.818 -11.477 -4.478 1.00 0.00 C ATOM 760 CG LYS A 70 1.692 -12.714 -4.592 1.00 0.00 C ATOM 761 CD LYS A 70 3.046 -12.503 -3.932 1.00 0.00 C ATOM 762 CE LYS A 70 4.143 -13.267 -4.655 1.00 0.00 C ATOM 763 NZ LYS A 70 4.427 -12.692 -6.000 1.00 0.00 N ATOM 0 H LYS A 70 -1.423 -12.173 -2.943 1.00 0.00 H new ATOM 0 HA LYS A 70 1.292 -11.125 -2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -0.078 -11.619 -5.083 1.00 0.00 H new ATOM 0 HB3 LYS A 70 1.353 -10.625 -4.896 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.188 -13.561 -4.127 1.00 0.00 H new ATOM 0 HG3 LYS A 70 1.834 -12.965 -5.643 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.286 -11.440 -3.924 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.000 -12.827 -2.892 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.052 -13.252 -4.054 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.849 -14.311 -4.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.389 -12.955 -6.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.741 -13.063 -6.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.349 -11.656 -5.958 1.00 0.00 H new ATOM 777 N ILE A 71 0.542 -8.740 -2.782 1.00 0.00 N ATOM 778 CA ILE A 71 0.023 -7.380 -2.714 1.00 0.00 C ATOM 779 C ILE A 71 0.811 -6.439 -3.611 1.00 0.00 C ATOM 780 O ILE A 71 2.041 -6.465 -3.636 1.00 0.00 O ATOM 781 CB ILE A 71 0.037 -6.840 -1.274 1.00 0.00 C ATOM 782 CG1 ILE A 71 -0.687 -7.812 -0.350 1.00 0.00 C ATOM 783 CG2 ILE A 71 -0.614 -5.466 -1.214 1.00 0.00 C ATOM 784 CD1 ILE A 71 -0.213 -7.754 1.086 1.00 0.00 C ATOM 0 H ILE A 71 1.551 -8.815 -2.656 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.008 -7.423 -3.064 1.00 0.00 H new ATOM 0 HB ILE A 71 1.071 -6.743 -0.944 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.756 -7.600 -0.379 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.553 -8.826 -0.727 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.595 -5.099 -0.188 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.067 -4.776 -1.856 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.647 -5.538 -1.555 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.773 -8.473 1.683 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.849 -7.996 1.129 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.373 -6.751 1.482 1.00 0.00 H new ATOM 796 N SER A 72 0.086 -5.611 -4.348 1.00 0.00 N ATOM 797 CA SER A 72 0.700 -4.655 -5.256 1.00 0.00 C ATOM 798 C SER A 72 -0.009 -3.306 -5.184 1.00 0.00 C ATOM 799 O SER A 72 -1.043 -3.173 -4.530 1.00 0.00 O ATOM 800 CB SER A 72 0.655 -5.199 -6.680 1.00 0.00 C ATOM 801 OG SER A 72 1.698 -4.644 -7.471 1.00 0.00 O ATOM 0 H SER A 72 -0.934 -5.582 -4.334 1.00 0.00 H new ATOM 0 HA SER A 72 1.738 -4.508 -4.959 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.747 -6.285 -6.661 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.310 -4.968 -7.131 1.00 0.00 H new ATOM 0 HG SER A 72 1.650 -5.009 -8.379 1.00 0.00 H new ATOM 807 N TYR A 73 0.547 -2.315 -5.857 1.00 0.00 N ATOM 808 CA TYR A 73 -0.035 -0.978 -5.876 1.00 0.00 C ATOM 809 C TYR A 73 0.471 -0.174 -7.070 1.00 0.00 C ATOM 810 O TYR A 73 1.521 -0.482 -7.627 1.00 0.00 O ATOM 811 CB TYR A 73 0.273 -0.244 -4.566 1.00 0.00 C ATOM 812 CG TYR A 73 1.692 0.275 -4.466 1.00 0.00 C ATOM 813 CD1 TYR A 73 2.773 -0.597 -4.424 1.00 0.00 C ATOM 814 CD2 TYR A 73 1.946 1.642 -4.419 1.00 0.00 C ATOM 815 CE1 TYR A 73 4.069 -0.118 -4.339 1.00 0.00 C ATOM 816 CE2 TYR A 73 3.236 2.127 -4.332 1.00 0.00 C ATOM 817 CZ TYR A 73 4.292 1.240 -4.287 1.00 0.00 C ATOM 818 OH TYR A 73 5.581 1.721 -4.204 1.00 0.00 O ATOM 0 H TYR A 73 1.405 -2.408 -6.401 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.116 -1.081 -5.975 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.417 0.593 -4.461 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.085 -0.919 -3.731 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.600 -1.662 -4.458 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.119 2.336 -4.451 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.901 -0.806 -4.314 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.417 3.191 -4.299 1.00 0.00 H new ATOM 0 HH TYR A 73 5.564 2.700 -4.177 1.00 0.00 H new ATOM 828 N ASP A 74 -0.283 0.850 -7.455 1.00 0.00 N ATOM 829 CA ASP A 74 0.097 1.691 -8.586 1.00 0.00 C ATOM 830 C ASP A 74 -0.425 3.110 -8.408 1.00 0.00 C ATOM 831 O ASP A 74 -1.309 3.368 -7.592 1.00 0.00 O ATOM 832 CB ASP A 74 -0.439 1.093 -9.886 1.00 0.00 C ATOM 833 CG ASP A 74 0.290 1.639 -11.110 1.00 0.00 C ATOM 834 OD1 ASP A 74 1.416 1.176 -11.373 1.00 0.00 O ATOM 835 OD2 ASP A 74 -0.275 2.518 -11.786 1.00 0.00 O ATOM 0 H ASP A 74 -1.157 1.118 -7.003 1.00 0.00 H new ATOM 0 HA ASP A 74 1.185 1.731 -8.633 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.335 0.008 -9.856 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.504 1.309 -9.972 1.00 0.00 H new ATOM 840 N ILE A 75 0.136 4.036 -9.192 1.00 0.00 N ATOM 841 CA ILE A 75 -0.268 5.432 -9.126 1.00 0.00 C ATOM 842 C ILE A 75 -0.247 6.067 -10.518 1.00 0.00 C ATOM 843 O ILE A 75 0.637 5.783 -11.325 1.00 0.00 O ATOM 844 CB ILE A 75 0.647 6.241 -8.180 1.00 0.00 C ATOM 845 CG1 ILE A 75 0.098 7.659 -7.976 1.00 0.00 C ATOM 846 CG2 ILE A 75 2.078 6.267 -8.696 1.00 0.00 C ATOM 847 CD1 ILE A 75 0.353 8.597 -9.136 1.00 0.00 C ATOM 0 H ILE A 75 0.868 3.839 -9.875 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.284 5.456 -8.732 1.00 0.00 H new ATOM 0 HB ILE A 75 0.658 5.746 -7.209 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.976 7.599 -7.802 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.544 8.083 -7.076 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.701 6.843 -8.012 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.459 5.248 -8.763 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.101 6.729 -9.683 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.067 9.577 -8.910 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.427 8.691 -9.299 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.117 8.199 -10.036 1.00 0.00 H new ATOM 859 N SER A 76 -1.230 6.919 -10.788 1.00 0.00 N ATOM 860 CA SER A 76 -1.320 7.587 -12.084 1.00 0.00 C ATOM 861 C SER A 76 -2.219 8.818 -12.004 1.00 0.00 C ATOM 862 O SER A 76 -2.538 9.296 -10.912 1.00 0.00 O ATOM 863 CB SER A 76 -1.855 6.614 -13.137 1.00 0.00 C ATOM 864 OG SER A 76 -1.579 5.272 -12.782 1.00 0.00 O ATOM 0 H SER A 76 -1.972 7.163 -10.132 1.00 0.00 H new ATOM 0 HA SER A 76 -0.320 7.914 -12.371 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.931 6.750 -13.248 1.00 0.00 H new ATOM 0 HB3 SER A 76 -1.404 6.837 -14.104 1.00 0.00 H new ATOM 0 HG SER A 76 -1.933 4.672 -13.471 1.00 0.00 H new ATOM 870 N THR A 77 -2.625 9.323 -13.161 1.00 0.00 N ATOM 871 CA THR A 77 -3.488 10.500 -13.232 1.00 0.00 C ATOM 872 C THR A 77 -2.748 11.746 -12.746 1.00 0.00 C ATOM 873 O THR A 77 -1.974 11.682 -11.790 1.00 0.00 O ATOM 874 CB THR A 77 -4.766 10.292 -12.410 1.00 0.00 C ATOM 875 OG1 THR A 77 -4.574 10.700 -11.070 1.00 0.00 O ATOM 876 CG2 THR A 77 -5.246 8.861 -12.400 1.00 0.00 C ATOM 0 H THR A 77 -2.370 8.935 -14.069 1.00 0.00 H new ATOM 0 HA THR A 77 -3.767 10.646 -14.276 1.00 0.00 H new ATOM 0 HB THR A 77 -5.525 10.903 -12.898 1.00 0.00 H new ATOM 0 HG1 THR A 77 -4.020 10.040 -10.603 1.00 0.00 H new ATOM 0 HG21 THR A 77 -6.153 8.786 -11.800 1.00 0.00 H new ATOM 0 HG22 THR A 77 -5.458 8.541 -13.420 1.00 0.00 H new ATOM 0 HG23 THR A 77 -4.474 8.221 -11.972 1.00 0.00 H new ATOM 884 N PRO A 78 -2.973 12.903 -13.403 1.00 0.00 N ATOM 885 CA PRO A 78 -2.324 14.159 -13.027 1.00 0.00 C ATOM 886 C PRO A 78 -2.890 14.756 -11.747 1.00 0.00 C ATOM 887 O PRO A 78 -2.312 15.672 -11.165 1.00 0.00 O ATOM 888 CB PRO A 78 -2.623 15.072 -14.214 1.00 0.00 C ATOM 889 CG PRO A 78 -3.898 14.559 -14.780 1.00 0.00 C ATOM 890 CD PRO A 78 -3.881 13.063 -14.553 1.00 0.00 C ATOM 0 HA PRO A 78 -1.262 14.021 -12.824 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.721 16.111 -13.899 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.821 15.037 -14.951 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -4.756 15.019 -14.289 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.976 14.792 -15.842 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -4.877 12.678 -14.335 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.517 12.527 -15.430 1.00 0.00 H new ATOM 898 N ILE A 79 -4.028 14.225 -11.300 1.00 0.00 N ATOM 899 CA ILE A 79 -4.672 14.716 -10.082 1.00 0.00 C ATOM 900 C ILE A 79 -4.248 13.901 -8.865 1.00 0.00 C ATOM 901 O ILE A 79 -4.926 13.907 -7.830 1.00 0.00 O ATOM 902 CB ILE A 79 -6.207 14.681 -10.205 1.00 0.00 C ATOM 903 CG1 ILE A 79 -6.684 13.249 -10.488 1.00 0.00 C ATOM 904 CG2 ILE A 79 -6.676 15.623 -11.292 1.00 0.00 C ATOM 905 CD1 ILE A 79 -7.487 12.642 -9.360 1.00 0.00 C ATOM 0 H ILE A 79 -4.521 13.459 -11.760 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.350 15.749 -9.950 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.639 15.011 -9.260 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.290 13.250 -11.394 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.817 12.619 -10.685 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.763 15.584 -11.363 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.364 16.640 -11.052 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.239 15.325 -12.245 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.789 11.631 -9.632 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.878 12.608 -8.457 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.374 13.249 -9.177 1.00 0.00 H new ATOM 917 N ASN A 80 -3.127 13.191 -8.981 1.00 0.00 N ATOM 918 CA ASN A 80 -2.614 12.376 -7.889 1.00 0.00 C ATOM 919 C ASN A 80 -3.661 11.363 -7.419 1.00 0.00 C ATOM 920 O ASN A 80 -4.436 11.642 -6.502 1.00 0.00 O ATOM 921 CB ASN A 80 -2.191 13.268 -6.714 1.00 0.00 C ATOM 922 CG ASN A 80 -0.770 12.982 -6.263 1.00 0.00 C ATOM 923 OD1 ASN A 80 -0.512 12.766 -5.081 1.00 0.00 O ATOM 924 ND2 ASN A 80 0.168 12.985 -7.214 1.00 0.00 N ATOM 0 H ASN A 80 -2.556 13.166 -9.826 1.00 0.00 H new ATOM 0 HA ASN A 80 -1.746 11.829 -8.257 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.275 14.315 -7.006 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.874 13.114 -5.879 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.142 12.803 -6.971 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.089 13.169 -8.184 1.00 0.00 H new ATOM 931 N PHE A 81 -3.674 10.204 -8.058 1.00 0.00 N ATOM 932 CA PHE A 81 -4.625 9.146 -7.700 1.00 0.00 C ATOM 933 C PHE A 81 -3.890 7.847 -7.398 1.00 0.00 C ATOM 934 O PHE A 81 -3.148 7.329 -8.231 1.00 0.00 O ATOM 935 CB PHE A 81 -5.622 8.932 -8.841 1.00 0.00 C ATOM 936 CG PHE A 81 -6.970 8.464 -8.372 1.00 0.00 C ATOM 937 CD1 PHE A 81 -7.843 9.336 -7.751 1.00 0.00 C ATOM 938 CD2 PHE A 81 -7.362 7.149 -8.553 1.00 0.00 C ATOM 939 CE1 PHE A 81 -9.087 8.912 -7.315 1.00 0.00 C ATOM 940 CE2 PHE A 81 -8.603 6.716 -8.121 1.00 0.00 C ATOM 941 CZ PHE A 81 -9.467 7.600 -7.501 1.00 0.00 C ATOM 0 H PHE A 81 -3.044 9.966 -8.824 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.167 9.453 -6.806 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -5.740 9.866 -9.391 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -5.214 8.201 -9.539 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -7.551 10.365 -7.603 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -6.692 6.454 -9.037 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -9.757 9.607 -6.831 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -8.897 5.687 -8.268 1.00 0.00 H new ATOM 0 HZ PHE A 81 -10.436 7.264 -7.164 1.00 0.00 H new ATOM 951 N LEU A 82 -4.100 7.321 -6.194 1.00 0.00 N ATOM 952 CA LEU A 82 -3.454 6.080 -5.779 1.00 0.00 C ATOM 953 C LEU A 82 -4.333 4.872 -6.087 1.00 0.00 C ATOM 954 O LEU A 82 -5.383 4.683 -5.474 1.00 0.00 O ATOM 955 CB LEU A 82 -3.129 6.125 -4.285 1.00 0.00 C ATOM 956 CG LEU A 82 -1.913 6.981 -3.915 1.00 0.00 C ATOM 957 CD1 LEU A 82 -0.669 6.476 -4.623 1.00 0.00 C ATOM 958 CD2 LEU A 82 -2.172 8.439 -4.246 1.00 0.00 C ATOM 0 H LEU A 82 -4.712 7.734 -5.490 1.00 0.00 H new ATOM 0 HA LEU A 82 -2.527 5.979 -6.343 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.999 6.505 -3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.959 5.107 -3.934 1.00 0.00 H new ATOM 0 HG LEU A 82 -1.745 6.900 -2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.184 7.097 -4.348 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.477 5.444 -4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.819 6.524 -5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.299 9.034 -3.977 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.366 8.541 -5.314 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.038 8.791 -3.685 1.00 0.00 H new ATOM 970 N CYS A 83 -3.891 4.062 -7.049 1.00 0.00 N ATOM 971 CA CYS A 83 -4.637 2.867 -7.436 1.00 0.00 C ATOM 972 C CYS A 83 -3.986 1.612 -6.867 1.00 0.00 C ATOM 973 O CYS A 83 -3.032 1.079 -7.434 1.00 0.00 O ATOM 974 CB CYS A 83 -4.715 2.770 -8.964 1.00 0.00 C ATOM 975 SG CYS A 83 -6.045 3.750 -9.697 1.00 0.00 S ATOM 0 H CYS A 83 -3.027 4.210 -7.570 1.00 0.00 H new ATOM 0 HA CYS A 83 -5.645 2.945 -7.029 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -3.764 3.093 -9.387 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.850 1.726 -9.245 1.00 0.00 H new ATOM 0 HG CYS A 83 -6.029 3.606 -10.989 1.00 0.00 H new ATOM 981 N ILE A 84 -4.507 1.144 -5.741 1.00 0.00 N ATOM 982 CA ILE A 84 -3.978 -0.047 -5.090 1.00 0.00 C ATOM 983 C ILE A 84 -4.572 -1.315 -5.701 1.00 0.00 C ATOM 984 O ILE A 84 -5.789 -1.443 -5.833 1.00 0.00 O ATOM 985 CB ILE A 84 -4.267 -0.025 -3.573 1.00 0.00 C ATOM 986 CG1 ILE A 84 -3.443 1.067 -2.895 1.00 0.00 C ATOM 987 CG2 ILE A 84 -3.989 -1.384 -2.939 1.00 0.00 C ATOM 988 CD1 ILE A 84 -2.012 0.670 -2.646 1.00 0.00 C ATOM 0 H ILE A 84 -5.297 1.572 -5.258 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.899 -0.049 -5.246 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.325 0.196 -3.430 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.461 1.963 -3.515 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.910 1.327 -1.945 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.201 -1.338 -1.871 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.624 -2.139 -3.403 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.942 -1.648 -3.090 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.485 1.492 -2.162 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.985 -0.208 -2.000 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.529 0.438 -3.595 1.00 0.00 H new ATOM 1000 N PHE A 85 -3.701 -2.250 -6.065 1.00 0.00 N ATOM 1001 CA PHE A 85 -4.130 -3.511 -6.655 1.00 0.00 C ATOM 1002 C PHE A 85 -3.488 -4.692 -5.932 1.00 0.00 C ATOM 1003 O PHE A 85 -2.353 -5.064 -6.223 1.00 0.00 O ATOM 1004 CB PHE A 85 -3.774 -3.555 -8.138 1.00 0.00 C ATOM 1005 CG PHE A 85 -4.789 -2.885 -9.021 1.00 0.00 C ATOM 1006 CD1 PHE A 85 -5.951 -3.548 -9.387 1.00 0.00 C ATOM 1007 CD2 PHE A 85 -4.584 -1.594 -9.481 1.00 0.00 C ATOM 1008 CE1 PHE A 85 -6.886 -2.935 -10.198 1.00 0.00 C ATOM 1009 CE2 PHE A 85 -5.519 -0.977 -10.288 1.00 0.00 C ATOM 1010 CZ PHE A 85 -6.669 -1.645 -10.652 1.00 0.00 C ATOM 0 H PHE A 85 -2.691 -2.157 -5.961 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.212 -3.583 -6.549 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.805 -3.077 -8.285 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.666 -4.595 -8.447 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -6.126 -4.554 -9.034 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.684 -1.065 -9.205 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.786 -3.462 -10.478 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -5.349 0.032 -10.635 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.397 -1.164 -11.288 1.00 0.00 H new ATOM 1020 N ILE A 86 -4.222 -5.272 -4.987 1.00 0.00 N ATOM 1021 CA ILE A 86 -3.728 -6.410 -4.217 1.00 0.00 C ATOM 1022 C ILE A 86 -4.235 -7.732 -4.803 1.00 0.00 C ATOM 1023 O ILE A 86 -5.401 -8.086 -4.630 1.00 0.00 O ATOM 1024 CB ILE A 86 -4.150 -6.304 -2.731 1.00 0.00 C ATOM 1025 CG1 ILE A 86 -3.832 -7.599 -1.977 1.00 0.00 C ATOM 1026 CG2 ILE A 86 -5.632 -5.967 -2.618 1.00 0.00 C ATOM 1027 CD1 ILE A 86 -4.218 -7.557 -0.514 1.00 0.00 C ATOM 0 H ILE A 86 -5.164 -4.972 -4.735 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.640 -6.393 -4.275 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.577 -5.498 -2.273 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.352 -8.427 -2.458 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.764 -7.804 -2.057 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.910 -5.897 -1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.827 -5.014 -3.109 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.221 -6.749 -3.097 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.964 -8.507 -0.043 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.678 -6.750 -0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.290 -7.384 -0.426 1.00 0.00 H new ATOM 1039 N PRO A 87 -3.368 -8.482 -5.513 1.00 0.00 N ATOM 1040 CA PRO A 87 -3.734 -9.751 -6.124 1.00 0.00 C ATOM 1041 C PRO A 87 -3.497 -10.938 -5.195 1.00 0.00 C ATOM 1042 O PRO A 87 -2.366 -11.204 -4.791 1.00 0.00 O ATOM 1043 CB PRO A 87 -2.807 -9.837 -7.343 1.00 0.00 C ATOM 1044 CG PRO A 87 -1.749 -8.785 -7.150 1.00 0.00 C ATOM 1045 CD PRO A 87 -1.970 -8.159 -5.796 1.00 0.00 C ATOM 0 HA PRO A 87 -4.795 -9.791 -6.370 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.359 -10.828 -7.421 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -3.362 -9.665 -8.265 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.754 -9.227 -7.210 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.811 -8.031 -7.935 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.299 -8.574 -5.044 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.800 -7.083 -5.816 1.00 0.00 H new ATOM 1053 N THR A 88 -4.569 -11.650 -4.868 1.00 0.00 N ATOM 1054 CA THR A 88 -4.473 -12.810 -3.992 1.00 0.00 C ATOM 1055 C THR A 88 -5.380 -13.932 -4.485 1.00 0.00 C ATOM 1056 O THR A 88 -6.274 -13.707 -5.300 1.00 0.00 O ATOM 1057 CB THR A 88 -4.840 -12.421 -2.558 1.00 0.00 C ATOM 1058 OG1 THR A 88 -4.602 -13.499 -1.669 1.00 0.00 O ATOM 1059 CG2 THR A 88 -6.286 -12.004 -2.399 1.00 0.00 C ATOM 0 H THR A 88 -5.513 -11.445 -5.196 1.00 0.00 H new ATOM 0 HA THR A 88 -3.444 -13.169 -4.006 1.00 0.00 H new ATOM 0 HB THR A 88 -4.206 -11.566 -2.321 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.841 -13.230 -0.757 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.477 -11.742 -1.358 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.488 -11.141 -3.033 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.937 -12.829 -2.691 1.00 0.00 H new ATOM 1067 N LEU A 89 -5.147 -15.141 -3.988 1.00 0.00 N ATOM 1068 CA LEU A 89 -5.949 -16.292 -4.383 1.00 0.00 C ATOM 1069 C LEU A 89 -7.149 -16.456 -3.459 1.00 0.00 C ATOM 1070 O LEU A 89 -8.227 -16.860 -3.893 1.00 0.00 O ATOM 1071 CB LEU A 89 -5.099 -17.564 -4.365 1.00 0.00 C ATOM 1072 CG LEU A 89 -4.215 -17.769 -5.596 1.00 0.00 C ATOM 1073 CD1 LEU A 89 -5.070 -17.966 -6.839 1.00 0.00 C ATOM 1074 CD2 LEU A 89 -3.270 -16.591 -5.777 1.00 0.00 C ATOM 0 H LEU A 89 -4.411 -15.349 -3.313 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.312 -16.122 -5.397 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.464 -17.546 -3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.761 -18.424 -4.265 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.617 -18.668 -5.445 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.425 -18.110 -7.705 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.704 -18.843 -6.709 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.694 -17.086 -6.994 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.649 -16.755 -6.658 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.849 -15.677 -5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -2.634 -16.496 -4.897 1.00 0.00 H new ATOM 1086 N PHE A 90 -6.950 -16.131 -2.185 1.00 0.00 N ATOM 1087 CA PHE A 90 -8.007 -16.234 -1.180 1.00 0.00 C ATOM 1088 C PHE A 90 -8.639 -17.623 -1.175 1.00 0.00 C ATOM 1089 O PHE A 90 -9.294 -18.030 -2.135 1.00 0.00 O ATOM 1090 CB PHE A 90 -9.072 -15.161 -1.413 1.00 0.00 C ATOM 1091 CG PHE A 90 -10.375 -15.422 -0.708 1.00 0.00 C ATOM 1092 CD1 PHE A 90 -10.475 -15.276 0.666 1.00 0.00 C ATOM 1093 CD2 PHE A 90 -11.498 -15.811 -1.421 1.00 0.00 C ATOM 1094 CE1 PHE A 90 -11.670 -15.515 1.317 1.00 0.00 C ATOM 1095 CE2 PHE A 90 -12.696 -16.051 -0.775 1.00 0.00 C ATOM 1096 CZ PHE A 90 -12.782 -15.902 0.595 1.00 0.00 C ATOM 0 H PHE A 90 -6.060 -15.791 -1.821 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.554 -16.072 -0.202 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -8.680 -14.199 -1.084 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -9.261 -15.079 -2.483 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -9.609 -14.972 1.235 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -11.436 -15.928 -2.493 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -11.734 -15.399 2.389 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -13.564 -16.355 -1.341 1.00 0.00 H new ATOM 0 HZ PHE A 90 -13.718 -16.088 1.101 1.00 0.00 H new ATOM 1106 N ASP A 91 -8.440 -18.336 -0.074 1.00 0.00 N ATOM 1107 CA ASP A 91 -8.984 -19.684 0.091 1.00 0.00 C ATOM 1108 C ASP A 91 -8.315 -20.399 1.262 1.00 0.00 C ATOM 1109 O ASP A 91 -8.887 -20.502 2.347 1.00 0.00 O ATOM 1110 CB ASP A 91 -8.800 -20.505 -1.192 1.00 0.00 C ATOM 1111 CG ASP A 91 -10.103 -20.701 -1.943 1.00 0.00 C ATOM 1112 OD1 ASP A 91 -11.136 -20.945 -1.286 1.00 0.00 O ATOM 1113 OD2 ASP A 91 -10.090 -20.611 -3.188 1.00 0.00 O ATOM 0 H ASP A 91 -7.902 -18.003 0.726 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.050 -19.590 0.299 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -8.081 -20.004 -1.841 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -8.379 -21.478 -0.940 1.00 0.00 H new ATOM 1118 N MET A 92 -7.102 -20.890 1.031 1.00 0.00 N ATOM 1119 CA MET A 92 -6.352 -21.598 2.063 1.00 0.00 C ATOM 1120 C MET A 92 -5.897 -20.644 3.165 1.00 0.00 C ATOM 1121 O MET A 92 -5.594 -21.070 4.279 1.00 0.00 O ATOM 1122 CB MET A 92 -5.142 -22.304 1.447 1.00 0.00 C ATOM 1123 CG MET A 92 -5.301 -23.814 1.360 1.00 0.00 C ATOM 1124 SD MET A 92 -5.749 -24.373 -0.294 1.00 0.00 S ATOM 1125 CE MET A 92 -7.488 -23.947 -0.337 1.00 0.00 C ATOM 0 H MET A 92 -6.617 -20.811 0.137 1.00 0.00 H new ATOM 0 HA MET A 92 -7.012 -22.343 2.509 1.00 0.00 H new ATOM 0 HB2 MET A 92 -4.969 -21.906 0.447 1.00 0.00 H new ATOM 0 HB3 MET A 92 -4.256 -22.073 2.039 1.00 0.00 H new ATOM 0 HG2 MET A 92 -4.368 -24.291 1.660 1.00 0.00 H new ATOM 0 HG3 MET A 92 -6.065 -24.136 2.067 1.00 0.00 H new ATOM 0 HE1 MET A 92 -8.087 -24.857 -0.300 1.00 0.00 H new ATOM 0 HE2 MET A 92 -7.730 -23.319 0.520 1.00 0.00 H new ATOM 0 HE3 MET A 92 -7.707 -23.405 -1.257 1.00 0.00 H new ATOM 1135 N ASN A 93 -5.848 -19.352 2.849 1.00 0.00 N ATOM 1136 CA ASN A 93 -5.430 -18.341 3.816 1.00 0.00 C ATOM 1137 C ASN A 93 -6.180 -18.501 5.135 1.00 0.00 C ATOM 1138 O ASN A 93 -5.588 -18.416 6.212 1.00 0.00 O ATOM 1139 CB ASN A 93 -5.663 -16.939 3.250 1.00 0.00 C ATOM 1140 CG ASN A 93 -4.435 -16.386 2.553 1.00 0.00 C ATOM 1141 OD1 ASN A 93 -4.371 -16.346 1.324 1.00 0.00 O ATOM 1142 ND2 ASN A 93 -3.453 -15.954 3.335 1.00 0.00 N ATOM 0 H ASN A 93 -6.093 -18.981 1.931 1.00 0.00 H new ATOM 0 HA ASN A 93 -4.366 -18.477 4.008 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.495 -16.968 2.546 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.952 -16.267 4.058 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.603 -15.570 2.922 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.548 -16.006 4.349 1.00 0.00 H new ATOM 1149 N ASN A 94 -7.486 -18.735 5.044 1.00 0.00 N ATOM 1150 CA ASN A 94 -8.322 -18.910 6.229 1.00 0.00 C ATOM 1151 C ASN A 94 -8.073 -17.803 7.251 1.00 0.00 C ATOM 1152 O ASN A 94 -8.247 -18.006 8.453 1.00 0.00 O ATOM 1153 CB ASN A 94 -8.058 -20.275 6.867 1.00 0.00 C ATOM 1154 CG ASN A 94 -8.342 -21.422 5.917 1.00 0.00 C ATOM 1155 OD1 ASN A 94 -9.430 -21.520 5.350 1.00 0.00 O ATOM 1156 ND2 ASN A 94 -7.361 -22.299 5.738 1.00 0.00 N ATOM 0 H ASN A 94 -7.990 -18.808 4.160 1.00 0.00 H new ATOM 0 HA ASN A 94 -9.364 -18.855 5.913 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -7.019 -20.326 7.193 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.677 -20.383 7.758 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -7.494 -23.092 5.110 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -6.475 -22.180 6.228 1.00 0.00 H new ATOM 1163 N MET A 95 -7.664 -16.634 6.768 1.00 0.00 N ATOM 1164 CA MET A 95 -7.391 -15.499 7.642 1.00 0.00 C ATOM 1165 C MET A 95 -7.131 -14.233 6.829 1.00 0.00 C ATOM 1166 O MET A 95 -6.322 -13.392 7.215 1.00 0.00 O ATOM 1167 CB MET A 95 -6.190 -15.800 8.542 1.00 0.00 C ATOM 1168 CG MET A 95 -6.572 -16.387 9.891 1.00 0.00 C ATOM 1169 SD MET A 95 -5.496 -15.822 11.224 1.00 0.00 S ATOM 1170 CE MET A 95 -6.122 -16.788 12.596 1.00 0.00 C ATOM 0 H MET A 95 -7.514 -16.448 5.776 1.00 0.00 H new ATOM 0 HA MET A 95 -8.270 -15.332 8.265 1.00 0.00 H new ATOM 0 HB2 MET A 95 -5.526 -16.495 8.028 1.00 0.00 H new ATOM 0 HB3 MET A 95 -5.627 -14.881 8.702 1.00 0.00 H new ATOM 0 HG2 MET A 95 -7.602 -16.117 10.122 1.00 0.00 H new ATOM 0 HG3 MET A 95 -6.533 -17.475 9.834 1.00 0.00 H new ATOM 0 HE1 MET A 95 -5.556 -16.550 13.497 1.00 0.00 H new ATOM 0 HE2 MET A 95 -7.174 -16.553 12.756 1.00 0.00 H new ATOM 0 HE3 MET A 95 -6.017 -17.849 12.371 1.00 0.00 H new ATOM 1180 N ASP A 96 -7.827 -14.106 5.703 1.00 0.00 N ATOM 1181 CA ASP A 96 -7.672 -12.941 4.838 1.00 0.00 C ATOM 1182 C ASP A 96 -8.496 -11.768 5.360 1.00 0.00 C ATOM 1183 O ASP A 96 -9.726 -11.799 5.327 1.00 0.00 O ATOM 1184 CB ASP A 96 -8.095 -13.283 3.408 1.00 0.00 C ATOM 1185 CG ASP A 96 -7.164 -12.683 2.373 1.00 0.00 C ATOM 1186 OD1 ASP A 96 -6.059 -13.231 2.179 1.00 0.00 O ATOM 1187 OD2 ASP A 96 -7.541 -11.665 1.755 1.00 0.00 O ATOM 0 H ASP A 96 -8.502 -14.794 5.369 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.621 -12.653 4.838 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.118 -14.366 3.288 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.108 -12.921 3.235 1.00 0.00 H new ATOM 1192 N LEU A 97 -7.812 -10.736 5.841 1.00 0.00 N ATOM 1193 CA LEU A 97 -8.483 -9.555 6.372 1.00 0.00 C ATOM 1194 C LEU A 97 -8.080 -8.300 5.602 1.00 0.00 C ATOM 1195 O LEU A 97 -7.157 -7.587 5.997 1.00 0.00 O ATOM 1196 CB LEU A 97 -8.161 -9.387 7.860 1.00 0.00 C ATOM 1197 CG LEU A 97 -9.367 -9.483 8.797 1.00 0.00 C ATOM 1198 CD1 LEU A 97 -10.318 -8.320 8.565 1.00 0.00 C ATOM 1199 CD2 LEU A 97 -10.087 -10.809 8.602 1.00 0.00 C ATOM 0 H LEU A 97 -6.793 -10.693 5.874 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.557 -9.695 6.254 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.435 -10.148 8.147 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -7.683 -8.418 8.006 1.00 0.00 H new ATOM 0 HG LEU A 97 -9.009 -9.433 9.825 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -11.169 -8.406 9.240 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.798 -7.381 8.754 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -10.670 -8.338 7.534 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.942 -10.861 9.276 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -10.432 -10.887 7.571 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -9.403 -11.630 8.819 1.00 0.00 H new ATOM 1211 N LEU A 98 -8.782 -8.035 4.506 1.00 0.00 N ATOM 1212 CA LEU A 98 -8.503 -6.861 3.683 1.00 0.00 C ATOM 1213 C LEU A 98 -8.988 -5.582 4.366 1.00 0.00 C ATOM 1214 O LEU A 98 -8.682 -4.476 3.920 1.00 0.00 O ATOM 1215 CB LEU A 98 -9.171 -7.005 2.313 1.00 0.00 C ATOM 1216 CG LEU A 98 -8.364 -7.789 1.276 1.00 0.00 C ATOM 1217 CD1 LEU A 98 -9.270 -8.713 0.477 1.00 0.00 C ATOM 1218 CD2 LEU A 98 -7.621 -6.837 0.350 1.00 0.00 C ATOM 0 H LEU A 98 -9.548 -8.616 4.166 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.423 -6.791 3.551 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.135 -7.495 2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.371 -6.009 1.917 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.631 -8.401 1.802 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -8.676 -9.261 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.756 -9.418 1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.027 -8.123 -0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.052 -7.411 -0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.338 -6.199 -0.167 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -6.940 -6.218 0.935 1.00 0.00 H new ATOM 1230 N LYS A 99 -9.748 -5.739 5.449 1.00 0.00 N ATOM 1231 CA LYS A 99 -10.276 -4.600 6.192 1.00 0.00 C ATOM 1232 C LYS A 99 -9.162 -3.661 6.652 1.00 0.00 C ATOM 1233 O LYS A 99 -9.413 -2.495 6.956 1.00 0.00 O ATOM 1234 CB LYS A 99 -11.069 -5.088 7.405 1.00 0.00 C ATOM 1235 CG LYS A 99 -12.397 -5.735 7.044 1.00 0.00 C ATOM 1236 CD LYS A 99 -13.571 -4.974 7.638 1.00 0.00 C ATOM 1237 CE LYS A 99 -14.895 -5.630 7.283 1.00 0.00 C ATOM 1238 NZ LYS A 99 -16.047 -4.715 7.508 1.00 0.00 N ATOM 0 H LYS A 99 -10.011 -6.647 5.831 1.00 0.00 H new ATOM 0 HA LYS A 99 -10.932 -4.044 5.522 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.464 -5.805 7.960 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.254 -4.245 8.071 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.500 -5.775 5.960 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.411 -6.764 7.403 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.465 -4.928 8.722 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.563 -3.947 7.273 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -14.877 -5.941 6.238 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -15.025 -6.531 7.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -16.931 -5.201 7.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -16.080 -4.438 8.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -15.936 -3.866 6.918 1.00 0.00 H new ATOM 1252 N GLN A 100 -7.935 -4.170 6.698 1.00 0.00 N ATOM 1253 CA GLN A 100 -6.796 -3.364 7.119 1.00 0.00 C ATOM 1254 C GLN A 100 -6.466 -2.329 6.054 1.00 0.00 C ATOM 1255 O GLN A 100 -6.335 -1.141 6.343 1.00 0.00 O ATOM 1256 CB GLN A 100 -5.581 -4.255 7.386 1.00 0.00 C ATOM 1257 CG GLN A 100 -5.400 -4.613 8.851 1.00 0.00 C ATOM 1258 CD GLN A 100 -4.631 -5.906 9.044 1.00 0.00 C ATOM 1259 OE1 GLN A 100 -3.412 -5.947 8.876 1.00 0.00 O ATOM 1260 NE2 GLN A 100 -5.341 -6.969 9.400 1.00 0.00 N ATOM 0 H GLN A 100 -7.705 -5.132 6.450 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.056 -2.848 8.043 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.679 -5.173 6.806 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.684 -3.748 7.031 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -4.875 -3.803 9.357 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.378 -4.702 9.323 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -6.350 -6.889 9.528 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.878 -7.866 9.546 1.00 0.00 H new ATOM 1269 N ALA A 101 -6.347 -2.794 4.819 1.00 0.00 N ATOM 1270 CA ALA A 101 -6.048 -1.920 3.695 1.00 0.00 C ATOM 1271 C ALA A 101 -7.146 -0.877 3.520 1.00 0.00 C ATOM 1272 O ALA A 101 -6.873 0.319 3.390 1.00 0.00 O ATOM 1273 CB ALA A 101 -5.893 -2.750 2.432 1.00 0.00 C ATOM 0 H ALA A 101 -6.454 -3.777 4.570 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.113 -1.395 3.892 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.669 -2.094 1.591 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.079 -3.463 2.563 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.820 -3.289 2.235 1.00 0.00 H new ATOM 1279 N LEU A 102 -8.393 -1.342 3.524 1.00 0.00 N ATOM 1280 CA LEU A 102 -9.543 -0.459 3.369 1.00 0.00 C ATOM 1281 C LEU A 102 -9.591 0.565 4.498 1.00 0.00 C ATOM 1282 O LEU A 102 -10.013 1.704 4.298 1.00 0.00 O ATOM 1283 CB LEU A 102 -10.839 -1.273 3.349 1.00 0.00 C ATOM 1284 CG LEU A 102 -11.306 -1.717 1.961 1.00 0.00 C ATOM 1285 CD1 LEU A 102 -10.880 -3.150 1.686 1.00 0.00 C ATOM 1286 CD2 LEU A 102 -12.816 -1.575 1.836 1.00 0.00 C ATOM 0 H LEU A 102 -8.632 -2.328 3.633 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.441 0.070 2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.703 -2.158 3.970 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -11.629 -0.680 3.809 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.837 -1.072 1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.221 -3.447 0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -9.793 -3.222 1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.319 -3.810 2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -13.131 -1.895 0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -13.303 -2.195 2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -13.097 -0.533 1.987 1.00 0.00 H new ATOM 1298 N LEU A 103 -9.157 0.152 5.684 1.00 0.00 N ATOM 1299 CA LEU A 103 -9.150 1.032 6.846 1.00 0.00 C ATOM 1300 C LEU A 103 -8.088 2.116 6.701 1.00 0.00 C ATOM 1301 O LEU A 103 -8.300 3.260 7.078 1.00 0.00 O ATOM 1302 CB LEU A 103 -8.904 0.224 8.123 1.00 0.00 C ATOM 1303 CG LEU A 103 -10.167 -0.232 8.854 1.00 0.00 C ATOM 1304 CD1 LEU A 103 -9.924 -1.550 9.573 1.00 0.00 C ATOM 1305 CD2 LEU A 103 -10.624 0.832 9.835 1.00 0.00 C ATOM 0 H LEU A 103 -8.805 -0.788 5.866 1.00 0.00 H new ATOM 0 HA LEU A 103 -10.126 1.513 6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -8.312 -0.655 7.870 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.305 0.826 8.806 1.00 0.00 H new ATOM 0 HG LEU A 103 -10.955 -0.385 8.116 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -10.835 -1.857 10.087 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.641 -2.313 8.848 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.122 -1.425 10.300 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.524 0.492 10.347 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -9.837 1.014 10.567 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.840 1.755 9.297 1.00 0.00 H new ATOM 1317 N ILE A 104 -6.937 1.740 6.150 1.00 0.00 N ATOM 1318 CA ILE A 104 -5.842 2.683 5.956 1.00 0.00 C ATOM 1319 C ILE A 104 -6.272 3.850 5.072 1.00 0.00 C ATOM 1320 O ILE A 104 -6.074 5.010 5.428 1.00 0.00 O ATOM 1321 CB ILE A 104 -4.610 1.991 5.333 1.00 0.00 C ATOM 1322 CG1 ILE A 104 -4.121 0.864 6.244 1.00 0.00 C ATOM 1323 CG2 ILE A 104 -3.495 2.999 5.087 1.00 0.00 C ATOM 1324 CD1 ILE A 104 -3.566 -0.325 5.491 1.00 0.00 C ATOM 0 H ILE A 104 -6.740 0.791 5.831 1.00 0.00 H new ATOM 0 HA ILE A 104 -5.570 3.065 6.940 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.901 1.564 4.373 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -3.351 1.254 6.909 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -4.947 0.532 6.873 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -2.636 2.492 4.648 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -3.848 3.772 4.404 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -3.202 3.456 6.032 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -3.239 -1.085 6.201 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -4.340 -0.741 4.846 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.719 -0.007 4.883 1.00 0.00 H new ATOM 1336 N LEU A 105 -6.862 3.538 3.921 1.00 0.00 N ATOM 1337 CA LEU A 105 -7.318 4.571 2.997 1.00 0.00 C ATOM 1338 C LEU A 105 -8.438 5.387 3.625 1.00 0.00 C ATOM 1339 O LEU A 105 -8.392 6.622 3.637 1.00 0.00 O ATOM 1340 CB LEU A 105 -7.778 3.938 1.672 1.00 0.00 C ATOM 1341 CG LEU A 105 -8.793 4.743 0.849 1.00 0.00 C ATOM 1342 CD1 LEU A 105 -10.194 4.572 1.413 1.00 0.00 C ATOM 1343 CD2 LEU A 105 -8.406 6.213 0.799 1.00 0.00 C ATOM 0 H LEU A 105 -7.035 2.583 3.607 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.486 5.242 2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.898 3.763 1.053 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -8.212 2.963 1.892 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.786 4.359 -0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.900 5.150 0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -10.472 3.518 1.384 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -10.217 4.925 2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.140 6.763 0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -8.377 6.616 1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.423 6.315 0.340 1.00 0.00 H new ATOM 1355 N HIS A 106 -9.449 4.703 4.152 1.00 0.00 N ATOM 1356 CA HIS A 106 -10.583 5.372 4.783 1.00 0.00 C ATOM 1357 C HIS A 106 -10.123 6.274 5.927 1.00 0.00 C ATOM 1358 O HIS A 106 -10.372 7.480 5.921 1.00 0.00 O ATOM 1359 CB HIS A 106 -11.590 4.344 5.302 1.00 0.00 C ATOM 1360 CG HIS A 106 -12.889 4.346 4.561 1.00 0.00 C ATOM 1361 ND1 HIS A 106 -13.019 4.798 3.264 1.00 0.00 N ATOM 1362 CD2 HIS A 106 -14.132 3.964 4.946 1.00 0.00 C ATOM 1363 CE1 HIS A 106 -14.278 4.684 2.881 1.00 0.00 C ATOM 1364 NE2 HIS A 106 -14.972 4.179 3.882 1.00 0.00 N ATOM 0 H HIS A 106 -9.507 3.685 4.155 1.00 0.00 H new ATOM 0 HA HIS A 106 -11.066 5.993 4.028 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -11.147 3.350 5.238 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -11.784 4.539 6.357 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -14.409 3.565 5.910 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.672 4.958 1.913 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -15.972 3.980 3.868 1.00 0.00 H new ATOM 1373 N ASN A 107 -9.449 5.678 6.906 1.00 0.00 N ATOM 1374 CA ASN A 107 -8.954 6.426 8.057 1.00 0.00 C ATOM 1375 C ASN A 107 -8.011 7.545 7.625 1.00 0.00 C ATOM 1376 O ASN A 107 -7.797 8.503 8.363 1.00 0.00 O ATOM 1377 CB ASN A 107 -8.235 5.490 9.028 1.00 0.00 C ATOM 1378 CG ASN A 107 -8.396 5.917 10.472 1.00 0.00 C ATOM 1379 OD1 ASN A 107 -8.923 5.170 11.298 1.00 0.00 O ATOM 1380 ND2 ASN A 107 -7.943 7.125 10.786 1.00 0.00 N ATOM 0 H ASN A 107 -9.233 4.681 6.926 1.00 0.00 H new ATOM 0 HA ASN A 107 -9.812 6.875 8.557 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -8.622 4.478 8.906 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.175 5.458 8.778 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -8.025 7.467 11.743 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -7.513 7.711 10.070 1.00 0.00 H new ATOM 1387 N ASP A 108 -7.445 7.419 6.427 1.00 0.00 N ATOM 1388 CA ASP A 108 -6.525 8.426 5.909 1.00 0.00 C ATOM 1389 C ASP A 108 -7.270 9.709 5.536 1.00 0.00 C ATOM 1390 O ASP A 108 -6.766 10.810 5.746 1.00 0.00 O ATOM 1391 CB ASP A 108 -5.777 7.891 4.694 1.00 0.00 C ATOM 1392 CG ASP A 108 -4.316 7.607 4.995 1.00 0.00 C ATOM 1393 OD1 ASP A 108 -3.983 7.401 6.181 1.00 0.00 O ATOM 1394 OD2 ASP A 108 -3.502 7.589 4.043 1.00 0.00 O ATOM 0 H ASP A 108 -7.607 6.632 5.799 1.00 0.00 H new ATOM 0 HA ASP A 108 -5.807 8.658 6.695 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.259 6.977 4.347 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.844 8.614 3.881 1.00 0.00 H new ATOM 1399 N LEU A 109 -8.466 9.557 4.977 1.00 0.00 N ATOM 1400 CA LEU A 109 -9.269 10.701 4.569 1.00 0.00 C ATOM 1401 C LEU A 109 -10.345 11.015 5.604 1.00 0.00 C ATOM 1402 O LEU A 109 -10.607 12.184 5.911 1.00 0.00 O ATOM 1403 CB LEU A 109 -9.921 10.440 3.210 1.00 0.00 C ATOM 1404 CG LEU A 109 -9.067 10.821 2.000 1.00 0.00 C ATOM 1405 CD1 LEU A 109 -9.503 10.038 0.771 1.00 0.00 C ATOM 1406 CD2 LEU A 109 -9.144 12.312 1.740 1.00 0.00 C ATOM 0 H LEU A 109 -8.900 8.652 4.797 1.00 0.00 H new ATOM 0 HA LEU A 109 -8.604 11.561 4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.170 9.381 3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -10.859 10.992 3.162 1.00 0.00 H new ATOM 0 HG LEU A 109 -8.030 10.566 2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -8.884 10.322 -0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.391 8.971 0.961 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -10.547 10.259 0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -8.530 12.563 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -10.178 12.594 1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.779 12.853 2.613 1.00 0.00 H new ATOM 1418 N HIS A 110 -10.973 9.974 6.135 1.00 0.00 N ATOM 1419 CA HIS A 110 -12.029 10.139 7.131 1.00 0.00 C ATOM 1420 C HIS A 110 -11.516 10.872 8.365 1.00 0.00 C ATOM 1421 O HIS A 110 -12.281 11.542 9.058 1.00 0.00 O ATOM 1422 CB HIS A 110 -12.590 8.774 7.534 1.00 0.00 C ATOM 1423 CG HIS A 110 -13.638 8.260 6.596 1.00 0.00 C ATOM 1424 ND1 HIS A 110 -14.637 9.050 6.071 1.00 0.00 N ATOM 1425 CD2 HIS A 110 -13.833 7.016 6.082 1.00 0.00 C ATOM 1426 CE1 HIS A 110 -15.406 8.325 5.281 1.00 0.00 C ATOM 1427 NE2 HIS A 110 -14.937 7.084 5.269 1.00 0.00 N ATOM 0 H HIS A 110 -10.770 9.004 5.893 1.00 0.00 H new ATOM 0 HA HIS A 110 -12.821 10.739 6.683 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -11.773 8.054 7.583 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -13.013 8.845 8.536 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -13.232 6.140 6.277 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -16.269 8.681 4.738 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -15.333 6.306 4.741 1.00 0.00 H new ATOM 1436 N GLU A 111 -10.224 10.745 8.641 1.00 0.00 N ATOM 1437 CA GLU A 111 -9.622 11.400 9.799 1.00 0.00 C ATOM 1438 C GLU A 111 -9.802 12.910 9.727 1.00 0.00 C ATOM 1439 O GLU A 111 -10.481 13.503 10.567 1.00 0.00 O ATOM 1440 CB GLU A 111 -8.133 11.054 9.891 1.00 0.00 C ATOM 1441 CG GLU A 111 -7.431 11.706 11.069 1.00 0.00 C ATOM 1442 CD GLU A 111 -6.092 12.299 10.691 1.00 0.00 C ATOM 1443 OE1 GLU A 111 -6.057 13.174 9.803 1.00 0.00 O ATOM 1444 OE2 GLU A 111 -5.075 11.885 11.282 1.00 0.00 O ATOM 0 H GLU A 111 -9.572 10.196 8.081 1.00 0.00 H new ATOM 0 HA GLU A 111 -10.128 11.036 10.693 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.024 9.972 9.967 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -7.639 11.361 8.969 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -8.068 12.489 11.479 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.288 10.966 11.857 1.00 0.00 H new