USER MOD reduce.3.24.130724 H: found=0, std=0, add=1071, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1072 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: B 676 LYS NZ :NH3+ 155:sc= -0.619 (180deg=-1.6!) USER MOD Set 1.2: B 678 GLN : amide:sc= 0 X(o=-0.62,f=-0.9) USER MOD Set 2.1: A 51 THR OG1 : rot 83:sc= -1.53 USER MOD Set 2.2: A 97 MET CE :methyl -111:sc= -3.2 (180deg=-5.59!) USER MOD Set 3.1: A 59 MET CE :methyl -123:sc= -3.57 (180deg=-9.98!) USER MOD Set 3.2: A 88 MET CE :methyl 178:sc= -7.03! (180deg=-7.2!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -1.79 K(o=-1.8,f=-2.6!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0285) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.14 K(o=-1.1,f=-0.0055) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 31 SER OG : rot -10:sc= -0.0121 USER MOD Single : A 32 THR OG1 : rot 119:sc= -0.0444 USER MOD Single : A 36 LYS NZ :NH3+ 170:sc= -0.225 (180deg=-0.425) USER MOD Single : A 38 HIS : no HD1:sc= -2.3 K(o=-2.3,f=-3) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 150:sc= 0 USER MOD Single : A 44 THR OG1 : rot -32:sc= 0.0798 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -3.06 K(o=-3.1,f=-12!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 5:sc= -2.03 USER MOD Single : A 57 LYS NZ :NH3+ 157:sc= -0.117 (180deg=-0.822) USER MOD Single : A 58 MET CE :methyl -117:sc= -7.02 (180deg=-12.1!) USER MOD Single : A 65 LYS NZ :NH3+ 169:sc= 0.293 (180deg=0.251) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -145:sc= -0.471 (180deg=-2.35!) USER MOD Single : A 71 LYS NZ :NH3+ -153:sc= 0.00584 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -4.12 K(o=-4.1,f=-11!) USER MOD Single : A 78 ASN : amide:sc= -0.694 X(o=-0.69,f=-0.24) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 87 HIS : no HD1:sc= -6.03! K(o=-6!,f=-4.7) USER MOD Single : A 90 SER OG : rot -91:sc= 0.0201 USER MOD Single : A 92 ASN : amide:sc= -0.544 X(o=-0.54,f=-0.18) USER MOD Single : A 93 ASN : amide:sc= -0.573 K(o=-0.57,f=-3!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 1.07 K(o=1.1,f=-0.36) USER MOD Single : A 101 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.302) USER MOD Single : A 102 MET CE :methyl -164:sc= -0.397 (180deg=-1.29) USER MOD Single : A 103 THR OG1 : rot -169:sc= -0.539 USER MOD Single : A 105 GLN : amide:sc= -6.45 K(o=-6.5,f=-7.5!) USER MOD Single : A 106 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot -82:sc= 1.14 USER MOD Single : A 111 TYR OH : rot 114:sc= -3.35 USER MOD Single : A 112 LYS NZ :NH3+ -163:sc= -0.848 (180deg=-1.64) USER MOD Single : B 666 SER OG : rot 180:sc= 0 USER MOD Single : B 675 THR OG1 : rot 180:sc= 0 USER MOD Single : B 677 SER OG : rot 29:sc= 1.25 USER MOD Single : B 680 SER OG : rot 22:sc= 0.397 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -5.969 -17.445 -6.915 1.00 0.00 N ATOM 2 CA PRO A 1 -6.599 -16.170 -6.478 1.00 0.00 C ATOM 3 C PRO A 1 -5.707 -15.399 -5.505 1.00 0.00 C ATOM 4 O PRO A 1 -6.185 -14.838 -4.519 1.00 0.00 O ATOM 5 CB PRO A 1 -7.933 -16.518 -5.822 1.00 0.00 C ATOM 6 CG PRO A 1 -7.948 -18.010 -5.781 1.00 0.00 C ATOM 7 CD PRO A 1 -7.019 -18.476 -6.875 1.00 0.00 C ATOM 0 H2 PRO A 1 -5.194 -17.694 -6.301 1.00 0.00 H new ATOM 0 H3 PRO A 1 -5.586 -17.355 -7.856 1.00 0.00 H new ATOM 0 HA PRO A 1 -6.748 -15.521 -7.341 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -8.007 -16.092 -4.821 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -8.773 -16.128 -6.397 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -7.617 -18.375 -4.809 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -8.956 -18.393 -5.939 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -6.604 -19.460 -6.654 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -7.537 -18.556 -7.831 1.00 0.00 H new ATOM 17 N SER A 2 -4.409 -15.378 -5.791 1.00 0.00 N ATOM 18 CA SER A 2 -3.451 -14.677 -4.943 1.00 0.00 C ATOM 19 C SER A 2 -2.968 -13.395 -5.613 1.00 0.00 C ATOM 20 O SER A 2 -2.661 -12.410 -4.943 1.00 0.00 O ATOM 21 CB SER A 2 -2.258 -15.583 -4.629 1.00 0.00 C ATOM 22 OG SER A 2 -2.598 -16.554 -3.655 1.00 0.00 O ATOM 0 H SER A 2 -3.997 -15.838 -6.603 1.00 0.00 H new ATOM 0 HA SER A 2 -3.953 -14.412 -4.012 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.924 -16.079 -5.540 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.424 -14.980 -4.270 1.00 0.00 H new ATOM 0 HG SER A 2 -1.820 -17.121 -3.473 1.00 0.00 H new ATOM 28 N HIS A 3 -2.906 -13.414 -6.940 1.00 0.00 N ATOM 29 CA HIS A 3 -2.460 -12.251 -7.704 1.00 0.00 C ATOM 30 C HIS A 3 -3.608 -11.273 -7.955 1.00 0.00 C ATOM 31 O HIS A 3 -3.489 -10.372 -8.785 1.00 0.00 O ATOM 32 CB HIS A 3 -1.859 -12.697 -9.037 1.00 0.00 C ATOM 33 CG HIS A 3 -0.530 -13.372 -8.897 1.00 0.00 C ATOM 34 ND1 HIS A 3 -0.150 -14.454 -9.663 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.513 -13.113 -8.072 1.00 0.00 C ATOM 36 CE1 HIS A 3 1.067 -14.832 -9.316 1.00 0.00 C ATOM 37 NE2 HIS A 3 1.491 -14.034 -8.354 1.00 0.00 N ATOM 0 H HIS A 3 -3.159 -14.221 -7.510 1.00 0.00 H new ATOM 0 HA HIS A 3 -1.700 -11.737 -7.115 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -2.553 -13.378 -9.530 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.750 -11.828 -9.686 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.565 -12.329 -7.331 1.00 0.00 H new ATOM 0 HE1 HIS A 3 1.621 -15.654 -9.746 1.00 0.00 H new ATOM 0 HE2 HIS A 3 2.400 -14.092 -7.894 1.00 0.00 H new ATOM 46 N SER A 4 -4.718 -11.446 -7.238 1.00 0.00 N ATOM 47 CA SER A 4 -5.867 -10.563 -7.400 1.00 0.00 C ATOM 48 C SER A 4 -6.711 -10.513 -6.132 1.00 0.00 C ATOM 49 O SER A 4 -6.766 -11.472 -5.362 1.00 0.00 O ATOM 50 CB SER A 4 -6.728 -11.010 -8.584 1.00 0.00 C ATOM 51 OG SER A 4 -6.792 -12.423 -8.665 1.00 0.00 O ATOM 0 H SER A 4 -4.844 -12.184 -6.545 1.00 0.00 H new ATOM 0 HA SER A 4 -5.486 -9.561 -7.597 1.00 0.00 H new ATOM 0 HB2 SER A 4 -7.734 -10.603 -8.480 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.316 -10.608 -9.509 1.00 0.00 H new ATOM 0 HG SER A 4 -7.349 -12.682 -9.428 1.00 0.00 H new ATOM 57 N GLY A 5 -7.360 -9.373 -5.926 1.00 0.00 N ATOM 58 CA GLY A 5 -8.196 -9.175 -4.760 1.00 0.00 C ATOM 59 C GLY A 5 -8.788 -7.786 -4.753 1.00 0.00 C ATOM 60 O GLY A 5 -8.110 -6.826 -5.105 1.00 0.00 O ATOM 0 H GLY A 5 -7.320 -8.572 -6.557 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -8.996 -9.916 -4.750 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.608 -9.329 -3.855 1.00 0.00 H new ATOM 64 N ALA A 6 -10.054 -7.673 -4.387 1.00 0.00 N ATOM 65 CA ALA A 6 -10.722 -6.380 -4.382 1.00 0.00 C ATOM 66 C ALA A 6 -10.437 -5.579 -3.115 1.00 0.00 C ATOM 67 O ALA A 6 -10.274 -6.140 -2.030 1.00 0.00 O ATOM 68 CB ALA A 6 -12.210 -6.571 -4.596 1.00 0.00 C ATOM 0 H ALA A 6 -10.638 -8.455 -4.091 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.318 -5.792 -5.206 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -12.706 -5.600 -4.591 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.380 -7.061 -5.555 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -12.616 -7.190 -3.796 1.00 0.00 H new ATOM 74 N ALA A 7 -10.361 -4.257 -3.274 1.00 0.00 N ATOM 75 CA ALA A 7 -10.076 -3.354 -2.164 1.00 0.00 C ATOM 76 C ALA A 7 -10.642 -1.956 -2.424 1.00 0.00 C ATOM 77 O ALA A 7 -11.118 -1.665 -3.520 1.00 0.00 O ATOM 78 CB ALA A 7 -8.580 -3.282 -1.924 1.00 0.00 C ATOM 0 H ALA A 7 -10.494 -3.787 -4.170 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.562 -3.749 -1.272 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -8.377 -2.606 -1.094 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.202 -4.276 -1.684 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.085 -2.913 -2.822 1.00 0.00 H new ATOM 84 N ILE A 8 -10.597 -1.098 -1.403 1.00 0.00 N ATOM 85 CA ILE A 8 -11.117 0.265 -1.522 1.00 0.00 C ATOM 86 C ILE A 8 -9.997 1.286 -1.696 1.00 0.00 C ATOM 87 O ILE A 8 -9.119 1.403 -0.845 1.00 0.00 O ATOM 88 CB ILE A 8 -11.939 0.682 -0.275 1.00 0.00 C ATOM 89 CG1 ILE A 8 -13.112 -0.279 0.004 1.00 0.00 C ATOM 90 CG2 ILE A 8 -12.456 2.107 -0.439 1.00 0.00 C ATOM 91 CD1 ILE A 8 -13.323 -1.355 -1.039 1.00 0.00 C ATOM 0 H ILE A 8 -10.207 -1.322 -0.487 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.757 0.257 -2.404 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.269 0.632 0.584 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.947 -0.758 0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -14.028 0.306 0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.032 2.389 0.443 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.613 2.789 -0.555 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -13.093 2.164 -1.322 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.170 -1.978 -0.752 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.524 -0.891 -2.005 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.427 -1.971 -1.112 1.00 0.00 H new ATOM 103 N PHE A 9 -10.050 2.046 -2.785 1.00 0.00 N ATOM 104 CA PHE A 9 -9.048 3.076 -3.034 1.00 0.00 C ATOM 105 C PHE A 9 -9.696 4.448 -3.206 1.00 0.00 C ATOM 106 O PHE A 9 -10.348 4.718 -4.214 1.00 0.00 O ATOM 107 CB PHE A 9 -8.211 2.747 -4.268 1.00 0.00 C ATOM 108 CG PHE A 9 -7.013 3.641 -4.421 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.167 4.989 -4.704 1.00 0.00 C ATOM 110 CD2 PHE A 9 -5.733 3.135 -4.278 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.067 5.813 -4.843 1.00 0.00 C ATOM 112 CE2 PHE A 9 -4.628 3.954 -4.415 1.00 0.00 C ATOM 113 CZ PHE A 9 -4.795 5.295 -4.698 1.00 0.00 C ATOM 0 H PHE A 9 -10.770 1.969 -3.504 1.00 0.00 H new ATOM 0 HA PHE A 9 -8.394 3.103 -2.163 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -7.879 1.711 -4.209 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -8.836 2.831 -5.157 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -8.159 5.400 -4.817 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -5.596 2.087 -4.057 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.202 6.861 -5.065 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -3.635 3.545 -4.301 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.933 5.937 -4.806 1.00 0.00 H new ATOM 123 N GLU A 10 -9.493 5.309 -2.215 1.00 0.00 N ATOM 124 CA GLU A 10 -10.028 6.671 -2.234 1.00 0.00 C ATOM 125 C GLU A 10 -11.549 6.684 -2.122 1.00 0.00 C ATOM 126 O GLU A 10 -12.234 7.355 -2.895 1.00 0.00 O ATOM 127 CB GLU A 10 -9.589 7.406 -3.505 1.00 0.00 C ATOM 128 CG GLU A 10 -8.223 8.059 -3.387 1.00 0.00 C ATOM 129 CD GLU A 10 -7.893 8.940 -4.577 1.00 0.00 C ATOM 130 OE1 GLU A 10 -7.837 8.412 -5.708 1.00 0.00 O ATOM 131 OE2 GLU A 10 -7.692 10.156 -4.379 1.00 0.00 O ATOM 0 H GLU A 10 -8.955 5.086 -1.377 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.624 7.189 -1.364 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.575 6.701 -4.336 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.328 8.170 -3.747 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.188 8.657 -2.476 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.462 7.285 -3.290 1.00 0.00 H new ATOM 138 N LYS A 11 -12.073 5.947 -1.147 1.00 0.00 N ATOM 139 CA LYS A 11 -13.515 5.879 -0.920 1.00 0.00 C ATOM 140 C LYS A 11 -14.233 5.085 -2.011 1.00 0.00 C ATOM 141 O LYS A 11 -15.442 4.868 -1.928 1.00 0.00 O ATOM 142 CB LYS A 11 -14.108 7.288 -0.830 1.00 0.00 C ATOM 143 CG LYS A 11 -13.297 8.235 0.038 1.00 0.00 C ATOM 144 CD LYS A 11 -13.718 9.680 -0.170 1.00 0.00 C ATOM 145 CE LYS A 11 -12.522 10.619 -0.143 1.00 0.00 C ATOM 146 NZ LYS A 11 -11.805 10.566 1.161 1.00 0.00 N ATOM 0 H LYS A 11 -11.519 5.386 -0.499 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.666 5.357 0.025 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.186 7.705 -1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.121 7.222 -0.433 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.422 7.966 1.087 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.238 8.126 -0.195 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.235 9.775 -1.125 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -14.426 9.969 0.606 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -11.835 10.355 -0.947 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.857 11.639 -0.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.071 11.302 1.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.480 10.726 1.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.362 9.632 1.276 1.00 0.00 H new ATOM 160 N VAL A 12 -13.497 4.644 -3.029 1.00 0.00 N ATOM 161 CA VAL A 12 -14.088 3.874 -4.108 1.00 0.00 C ATOM 162 C VAL A 12 -13.790 2.403 -3.936 1.00 0.00 C ATOM 163 O VAL A 12 -12.744 2.023 -3.410 1.00 0.00 O ATOM 164 CB VAL A 12 -13.588 4.347 -5.488 1.00 0.00 C ATOM 165 CG1 VAL A 12 -13.848 3.301 -6.569 1.00 0.00 C ATOM 166 CG2 VAL A 12 -14.260 5.652 -5.844 1.00 0.00 C ATOM 0 H VAL A 12 -12.495 4.809 -3.124 1.00 0.00 H new ATOM 0 HA VAL A 12 -15.166 4.032 -4.064 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.509 4.494 -5.432 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.482 3.670 -7.527 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.329 2.377 -6.314 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -14.919 3.108 -6.639 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.908 5.988 -6.819 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -15.340 5.508 -5.878 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -14.018 6.403 -5.092 1.00 0.00 H new ATOM 176 N SER A 13 -14.714 1.578 -4.387 1.00 0.00 N ATOM 177 CA SER A 13 -14.546 0.140 -4.284 1.00 0.00 C ATOM 178 C SER A 13 -14.335 -0.478 -5.655 1.00 0.00 C ATOM 179 O SER A 13 -15.238 -0.486 -6.493 1.00 0.00 O ATOM 180 CB SER A 13 -15.750 -0.500 -3.602 1.00 0.00 C ATOM 181 OG SER A 13 -16.315 0.368 -2.636 1.00 0.00 O ATOM 0 H SER A 13 -15.585 1.875 -4.826 1.00 0.00 H new ATOM 0 HA SER A 13 -13.661 -0.049 -3.676 1.00 0.00 H new ATOM 0 HB2 SER A 13 -16.501 -0.754 -4.349 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.447 -1.432 -3.124 1.00 0.00 H new ATOM 0 HG SER A 13 -17.086 -0.067 -2.216 1.00 0.00 H new ATOM 187 N GLY A 14 -13.138 -0.997 -5.873 1.00 0.00 N ATOM 188 CA GLY A 14 -12.819 -1.617 -7.140 1.00 0.00 C ATOM 189 C GLY A 14 -12.172 -2.970 -6.961 1.00 0.00 C ATOM 190 O GLY A 14 -12.623 -3.779 -6.150 1.00 0.00 O ATOM 0 H GLY A 14 -12.379 -1.000 -5.192 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -13.729 -1.726 -7.730 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.150 -0.967 -7.703 1.00 0.00 H new ATOM 194 N ILE A 15 -11.112 -3.214 -7.715 1.00 0.00 N ATOM 195 CA ILE A 15 -10.398 -4.475 -7.637 1.00 0.00 C ATOM 196 C ILE A 15 -8.899 -4.262 -7.620 1.00 0.00 C ATOM 197 O ILE A 15 -8.363 -3.528 -8.444 1.00 0.00 O ATOM 198 CB ILE A 15 -10.711 -5.397 -8.834 1.00 0.00 C ATOM 199 CG1 ILE A 15 -12.216 -5.438 -9.119 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.161 -6.796 -8.578 1.00 0.00 C ATOM 201 CD1 ILE A 15 -13.060 -5.817 -7.924 1.00 0.00 C ATOM 0 H ILE A 15 -10.727 -2.552 -8.389 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.732 -4.942 -6.710 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.222 -4.992 -9.720 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -12.534 -4.459 -9.479 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -12.403 -6.150 -9.923 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -10.388 -7.438 -9.429 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.081 -6.743 -8.441 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.620 -7.209 -7.680 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -14.112 -5.823 -8.209 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -12.773 -6.809 -7.576 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.905 -5.093 -7.125 1.00 0.00 H new ATOM 213 N ILE A 16 -8.218 -4.965 -6.730 1.00 0.00 N ATOM 214 CA ILE A 16 -6.774 -4.900 -6.676 1.00 0.00 C ATOM 215 C ILE A 16 -6.268 -6.134 -7.380 1.00 0.00 C ATOM 216 O ILE A 16 -6.868 -7.203 -7.268 1.00 0.00 O ATOM 217 CB ILE A 16 -6.207 -4.849 -5.230 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.746 -3.429 -4.890 1.00 0.00 C ATOM 219 CG2 ILE A 16 -5.044 -5.825 -5.063 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.082 -3.314 -3.533 1.00 0.00 C ATOM 0 H ILE A 16 -8.643 -5.584 -6.039 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.443 -3.976 -7.150 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.004 -5.141 -4.546 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -5.049 -3.089 -5.656 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.606 -2.760 -4.922 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.666 -5.769 -4.042 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.388 -6.839 -5.268 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.247 -5.564 -5.760 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.782 -2.280 -3.361 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.783 -3.622 -2.758 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.202 -3.957 -3.503 1.00 0.00 H new ATOM 232 N ALA A 17 -5.198 -5.998 -8.124 1.00 0.00 N ATOM 233 CA ALA A 17 -4.684 -7.135 -8.850 1.00 0.00 C ATOM 234 C ALA A 17 -3.184 -7.039 -9.045 1.00 0.00 C ATOM 235 O ALA A 17 -2.672 -6.101 -9.656 1.00 0.00 O ATOM 236 CB ALA A 17 -5.433 -7.277 -10.164 1.00 0.00 C ATOM 0 H ALA A 17 -4.674 -5.131 -8.243 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.852 -8.039 -8.264 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -5.045 -8.135 -10.713 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.494 -7.423 -9.964 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.297 -6.374 -10.760 1.00 0.00 H new ATOM 242 N ILE A 18 -2.490 -8.019 -8.488 1.00 0.00 N ATOM 243 CA ILE A 18 -1.042 -8.078 -8.551 1.00 0.00 C ATOM 244 C ILE A 18 -0.557 -8.771 -9.816 1.00 0.00 C ATOM 245 O ILE A 18 -1.147 -9.752 -10.271 1.00 0.00 O ATOM 246 CB ILE A 18 -0.476 -8.807 -7.318 1.00 0.00 C ATOM 247 CG1 ILE A 18 -0.943 -8.112 -6.039 1.00 0.00 C ATOM 248 CG2 ILE A 18 1.042 -8.857 -7.378 1.00 0.00 C ATOM 249 CD1 ILE A 18 -1.165 -9.049 -4.879 1.00 0.00 C ATOM 0 H ILE A 18 -2.916 -8.794 -7.980 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.681 -7.050 -8.566 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.849 -9.831 -7.314 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.203 -7.365 -5.753 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.871 -7.579 -6.245 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.424 -9.376 -6.499 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.353 -9.389 -8.277 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.439 -7.842 -7.401 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.495 -8.480 -4.010 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.927 -9.782 -5.144 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.233 -9.564 -4.644 1.00 0.00 H new ATOM 261 N ASN A 19 0.531 -8.253 -10.372 1.00 0.00 N ATOM 262 CA ASN A 19 1.119 -8.815 -11.578 1.00 0.00 C ATOM 263 C ASN A 19 2.541 -9.286 -11.303 1.00 0.00 C ATOM 264 O ASN A 19 3.490 -8.510 -11.390 1.00 0.00 O ATOM 265 CB ASN A 19 1.115 -7.780 -12.705 1.00 0.00 C ATOM 266 CG ASN A 19 0.675 -8.370 -14.031 1.00 0.00 C ATOM 267 OD1 ASN A 19 -0.466 -8.807 -14.181 1.00 0.00 O ATOM 268 ND2 ASN A 19 1.582 -8.387 -15.001 1.00 0.00 N ATOM 0 H ASN A 19 1.025 -7.440 -10.003 1.00 0.00 H new ATOM 0 HA ASN A 19 0.520 -9.671 -11.888 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.450 -6.959 -12.438 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.115 -7.359 -12.812 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.344 -8.773 -15.915 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.516 -8.014 -14.832 1.00 0.00 H new ATOM 275 N GLU A 20 2.680 -10.559 -10.960 1.00 0.00 N ATOM 276 CA GLU A 20 3.987 -11.135 -10.664 1.00 0.00 C ATOM 277 C GLU A 20 4.737 -11.501 -11.946 1.00 0.00 C ATOM 278 O GLU A 20 5.862 -11.999 -11.892 1.00 0.00 O ATOM 279 CB GLU A 20 3.827 -12.376 -9.782 1.00 0.00 C ATOM 280 CG GLU A 20 4.777 -12.403 -8.596 1.00 0.00 C ATOM 281 CD GLU A 20 6.136 -12.972 -8.950 1.00 0.00 C ATOM 282 OE1 GLU A 20 6.237 -14.206 -9.120 1.00 0.00 O ATOM 283 OE2 GLU A 20 7.100 -12.184 -9.058 1.00 0.00 O ATOM 0 H GLU A 20 1.903 -11.215 -10.879 1.00 0.00 H new ATOM 0 HA GLU A 20 4.571 -10.385 -10.132 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.801 -12.423 -9.417 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.990 -13.267 -10.389 1.00 0.00 H new ATOM 0 HG2 GLU A 20 4.900 -11.391 -8.211 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.336 -12.997 -7.796 1.00 0.00 H new ATOM 290 N ASP A 21 4.115 -11.251 -13.095 1.00 0.00 N ATOM 291 CA ASP A 21 4.733 -11.555 -14.379 1.00 0.00 C ATOM 292 C ASP A 21 5.689 -10.444 -14.812 1.00 0.00 C ATOM 293 O ASP A 21 6.297 -10.521 -15.878 1.00 0.00 O ATOM 294 CB ASP A 21 3.658 -11.754 -15.447 1.00 0.00 C ATOM 295 CG ASP A 21 4.154 -12.571 -16.624 1.00 0.00 C ATOM 296 OD1 ASP A 21 5.021 -12.070 -17.370 1.00 0.00 O ATOM 297 OD2 ASP A 21 3.675 -13.710 -16.800 1.00 0.00 O ATOM 0 H ASP A 21 3.184 -10.839 -13.162 1.00 0.00 H new ATOM 0 HA ASP A 21 5.306 -12.475 -14.264 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.796 -12.250 -15.002 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.318 -10.781 -15.802 1.00 0.00 H new ATOM 302 N VAL A 22 5.819 -9.413 -13.980 1.00 0.00 N ATOM 303 CA VAL A 22 6.705 -8.295 -14.291 1.00 0.00 C ATOM 304 C VAL A 22 7.999 -8.388 -13.487 1.00 0.00 C ATOM 305 O VAL A 22 8.333 -9.444 -12.950 1.00 0.00 O ATOM 306 CB VAL A 22 6.044 -6.918 -14.039 1.00 0.00 C ATOM 307 CG1 VAL A 22 5.890 -6.147 -15.340 1.00 0.00 C ATOM 308 CG2 VAL A 22 4.711 -7.084 -13.360 1.00 0.00 C ATOM 0 H VAL A 22 5.326 -9.329 -13.091 1.00 0.00 H new ATOM 0 HA VAL A 22 6.924 -8.369 -15.356 1.00 0.00 H new ATOM 0 HB VAL A 22 6.695 -6.345 -13.379 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.423 -5.183 -15.138 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.871 -5.989 -15.788 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.265 -6.716 -16.028 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.264 -6.104 -13.192 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.053 -7.680 -13.992 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.850 -7.588 -12.404 1.00 0.00 H new ATOM 318 N SER A 23 8.718 -7.278 -13.407 1.00 0.00 N ATOM 319 CA SER A 23 9.971 -7.225 -12.667 1.00 0.00 C ATOM 320 C SER A 23 10.526 -5.802 -12.664 1.00 0.00 C ATOM 321 O SER A 23 11.104 -5.353 -13.654 1.00 0.00 O ATOM 322 CB SER A 23 10.989 -8.189 -13.277 1.00 0.00 C ATOM 323 OG SER A 23 12.317 -7.794 -12.978 1.00 0.00 O ATOM 0 H SER A 23 8.453 -6.397 -13.848 1.00 0.00 H new ATOM 0 HA SER A 23 9.779 -7.526 -11.637 1.00 0.00 H new ATOM 0 HB2 SER A 23 10.813 -9.195 -12.897 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.854 -8.228 -14.358 1.00 0.00 H new ATOM 0 HG SER A 23 12.946 -8.430 -13.380 1.00 0.00 H new ATOM 329 N PRO A 24 10.355 -5.064 -11.550 1.00 0.00 N ATOM 330 CA PRO A 24 9.673 -5.556 -10.346 1.00 0.00 C ATOM 331 C PRO A 24 8.171 -5.733 -10.553 1.00 0.00 C ATOM 332 O PRO A 24 7.589 -5.169 -11.479 1.00 0.00 O ATOM 333 CB PRO A 24 9.935 -4.467 -9.296 1.00 0.00 C ATOM 334 CG PRO A 24 10.960 -3.559 -9.893 1.00 0.00 C ATOM 335 CD PRO A 24 10.823 -3.685 -11.381 1.00 0.00 C ATOM 0 HA PRO A 24 10.043 -6.540 -10.058 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.020 -3.923 -9.062 1.00 0.00 H new ATOM 0 HB3 PRO A 24 10.295 -4.902 -8.364 1.00 0.00 H new ATOM 0 HG2 PRO A 24 10.799 -2.529 -9.574 1.00 0.00 H new ATOM 0 HG3 PRO A 24 11.963 -3.840 -9.570 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.111 -2.964 -11.784 1.00 0.00 H new ATOM 0 HD3 PRO A 24 11.772 -3.515 -11.890 1.00 0.00 H new ATOM 343 N ALA A 25 7.550 -6.516 -9.674 1.00 0.00 N ATOM 344 CA ALA A 25 6.112 -6.767 -9.748 1.00 0.00 C ATOM 345 C ALA A 25 5.325 -5.468 -9.758 1.00 0.00 C ATOM 346 O ALA A 25 5.896 -4.381 -9.669 1.00 0.00 O ATOM 347 CB ALA A 25 5.659 -7.622 -8.577 1.00 0.00 C ATOM 0 H ALA A 25 8.020 -6.988 -8.902 1.00 0.00 H new ATOM 0 HA ALA A 25 5.920 -7.298 -10.680 1.00 0.00 H new ATOM 0 HB1 ALA A 25 4.586 -7.798 -8.649 1.00 0.00 H new ATOM 0 HB2 ALA A 25 6.186 -8.576 -8.598 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.880 -7.106 -7.643 1.00 0.00 H new ATOM 353 N GLU A 26 4.006 -5.588 -9.855 1.00 0.00 N ATOM 354 CA GLU A 26 3.144 -4.417 -9.862 1.00 0.00 C ATOM 355 C GLU A 26 1.694 -4.794 -9.579 1.00 0.00 C ATOM 356 O GLU A 26 1.160 -5.735 -10.167 1.00 0.00 O ATOM 357 CB GLU A 26 3.242 -3.691 -11.205 1.00 0.00 C ATOM 358 CG GLU A 26 2.683 -4.489 -12.373 1.00 0.00 C ATOM 359 CD GLU A 26 1.237 -4.145 -12.677 1.00 0.00 C ATOM 360 OE1 GLU A 26 0.770 -3.081 -12.219 1.00 0.00 O ATOM 361 OE2 GLU A 26 0.572 -4.940 -13.373 1.00 0.00 O ATOM 0 H GLU A 26 3.515 -6.479 -9.929 1.00 0.00 H new ATOM 0 HA GLU A 26 3.483 -3.750 -9.069 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.708 -2.743 -11.135 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.287 -3.455 -11.405 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.291 -4.303 -13.259 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.760 -5.553 -12.151 1.00 0.00 H new ATOM 368 N LEU A 27 1.052 -4.038 -8.692 1.00 0.00 N ATOM 369 CA LEU A 27 -0.344 -4.279 -8.357 1.00 0.00 C ATOM 370 C LEU A 27 -1.201 -3.171 -8.963 1.00 0.00 C ATOM 371 O LEU A 27 -0.763 -2.026 -9.055 1.00 0.00 O ATOM 372 CB LEU A 27 -0.534 -4.382 -6.828 1.00 0.00 C ATOM 373 CG LEU A 27 -0.820 -3.075 -6.075 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.137 -2.444 -6.504 1.00 0.00 C ATOM 375 CD2 LEU A 27 -0.840 -3.338 -4.584 1.00 0.00 C ATOM 0 H LEU A 27 1.477 -3.256 -8.195 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.662 -5.233 -8.777 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.355 -5.072 -6.634 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.365 -4.829 -6.404 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.023 -2.372 -6.319 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.298 -1.522 -5.945 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.103 -2.221 -7.570 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.955 -3.137 -6.304 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.043 -2.408 -4.053 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.619 -4.065 -4.353 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.127 -3.731 -4.271 1.00 0.00 H new ATOM 387 N THR A 28 -2.404 -3.512 -9.410 1.00 0.00 N ATOM 388 CA THR A 28 -3.278 -2.525 -10.041 1.00 0.00 C ATOM 389 C THR A 28 -4.695 -2.550 -9.480 1.00 0.00 C ATOM 390 O THR A 28 -5.436 -3.513 -9.679 1.00 0.00 O ATOM 391 CB THR A 28 -3.326 -2.774 -11.548 1.00 0.00 C ATOM 392 OG1 THR A 28 -2.076 -3.248 -12.017 1.00 0.00 O ATOM 393 CG2 THR A 28 -3.677 -1.539 -12.349 1.00 0.00 C ATOM 0 H THR A 28 -2.795 -4.452 -9.350 1.00 0.00 H new ATOM 0 HA THR A 28 -2.860 -1.541 -9.827 1.00 0.00 H new ATOM 0 HB THR A 28 -4.111 -3.516 -11.693 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.127 -3.403 -12.983 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.694 -1.786 -13.410 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.659 -1.175 -12.046 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.932 -0.764 -12.169 1.00 0.00 H new ATOM 401 N TRP A 29 -5.079 -1.468 -8.805 1.00 0.00 N ATOM 402 CA TRP A 29 -6.409 -1.349 -8.254 1.00 0.00 C ATOM 403 C TRP A 29 -7.319 -0.659 -9.262 1.00 0.00 C ATOM 404 O TRP A 29 -7.168 0.531 -9.525 1.00 0.00 O ATOM 405 CB TRP A 29 -6.382 -0.531 -6.963 1.00 0.00 C ATOM 406 CG TRP A 29 -7.751 -0.242 -6.434 1.00 0.00 C ATOM 407 CD1 TRP A 29 -8.466 -1.027 -5.594 1.00 0.00 C ATOM 408 CD2 TRP A 29 -8.572 0.894 -6.728 1.00 0.00 C ATOM 409 NE1 TRP A 29 -9.688 -0.453 -5.329 1.00 0.00 N ATOM 410 CE2 TRP A 29 -9.776 0.730 -6.014 1.00 0.00 C ATOM 411 CE3 TRP A 29 -8.408 2.036 -7.517 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -10.807 1.663 -6.070 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -9.434 2.961 -7.572 1.00 0.00 C ATOM 414 CH2 TRP A 29 -10.620 2.771 -6.852 1.00 0.00 C ATOM 0 H TRP A 29 -4.478 -0.663 -8.631 1.00 0.00 H new ATOM 0 HA TRP A 29 -6.785 -2.348 -8.035 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -5.812 -1.071 -6.207 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.861 0.409 -7.144 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -8.126 -1.969 -5.190 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -10.409 -0.844 -4.723 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -7.496 2.193 -8.074 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -11.723 1.518 -5.516 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -9.319 3.846 -8.181 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -11.402 3.513 -6.915 1.00 0.00 H new ATOM 425 N ARG A 30 -8.258 -1.406 -9.824 1.00 0.00 N ATOM 426 CA ARG A 30 -9.183 -0.851 -10.806 1.00 0.00 C ATOM 427 C ARG A 30 -10.590 -0.758 -10.232 1.00 0.00 C ATOM 428 O ARG A 30 -11.102 -1.722 -9.669 1.00 0.00 O ATOM 429 CB ARG A 30 -9.190 -1.708 -12.073 1.00 0.00 C ATOM 430 CG ARG A 30 -9.853 -1.030 -13.261 1.00 0.00 C ATOM 431 CD ARG A 30 -9.191 -1.428 -14.570 1.00 0.00 C ATOM 432 NE ARG A 30 -9.845 -0.816 -15.724 1.00 0.00 N ATOM 433 CZ ARG A 30 -10.981 -1.262 -16.255 1.00 0.00 C ATOM 434 NH1 ARG A 30 -11.591 -2.322 -15.740 1.00 0.00 N ATOM 435 NH2 ARG A 30 -11.509 -0.646 -17.304 1.00 0.00 N ATOM 0 H ARG A 30 -8.401 -2.395 -9.619 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.846 0.154 -11.060 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.163 -1.961 -12.336 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.706 -2.645 -11.865 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.909 -1.297 -13.290 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.801 0.052 -13.140 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.142 -1.133 -14.550 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.215 -2.513 -14.673 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.405 0.001 -16.148 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.189 -2.799 -14.933 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.461 -2.659 -16.151 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.044 0.169 -17.704 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.380 -0.988 -17.711 1.00 0.00 H new ATOM 449 N SER A 31 -11.220 0.403 -10.382 1.00 0.00 N ATOM 450 CA SER A 31 -12.574 0.604 -9.873 1.00 0.00 C ATOM 451 C SER A 31 -13.488 -0.532 -10.323 1.00 0.00 C ATOM 452 O SER A 31 -13.202 -1.215 -11.307 1.00 0.00 O ATOM 453 CB SER A 31 -13.130 1.943 -10.361 1.00 0.00 C ATOM 454 OG SER A 31 -12.561 3.024 -9.643 1.00 0.00 O ATOM 0 H SER A 31 -10.818 1.216 -10.849 1.00 0.00 H new ATOM 0 HA SER A 31 -12.534 0.612 -8.784 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.923 2.060 -11.425 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.214 1.955 -10.244 1.00 0.00 H new ATOM 0 HG SER A 31 -12.050 2.678 -8.882 1.00 0.00 H new ATOM 460 N THR A 32 -14.584 -0.732 -9.604 1.00 0.00 N ATOM 461 CA THR A 32 -15.529 -1.785 -9.940 1.00 0.00 C ATOM 462 C THR A 32 -16.326 -1.386 -11.167 1.00 0.00 C ATOM 463 O THR A 32 -16.644 -2.212 -12.022 1.00 0.00 O ATOM 464 CB THR A 32 -16.466 -2.059 -8.761 1.00 0.00 C ATOM 465 OG1 THR A 32 -15.751 -2.609 -7.668 1.00 0.00 O ATOM 466 CG2 THR A 32 -17.588 -3.014 -9.097 1.00 0.00 C ATOM 0 H THR A 32 -14.839 -0.179 -8.786 1.00 0.00 H new ATOM 0 HA THR A 32 -14.977 -2.699 -10.157 1.00 0.00 H new ATOM 0 HB THR A 32 -16.897 -1.091 -8.506 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.828 -2.013 -6.894 1.00 0.00 H new ATOM 0 HG21 THR A 32 -18.214 -3.164 -8.217 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.191 -2.598 -9.904 1.00 0.00 H new ATOM 0 HG23 THR A 32 -17.170 -3.970 -9.412 1.00 0.00 H new ATOM 474 N ASP A 33 -16.635 -0.103 -11.240 1.00 0.00 N ATOM 475 CA ASP A 33 -17.388 0.442 -12.355 1.00 0.00 C ATOM 476 C ASP A 33 -16.468 0.776 -13.529 1.00 0.00 C ATOM 477 O ASP A 33 -16.929 0.964 -14.655 1.00 0.00 O ATOM 478 CB ASP A 33 -18.154 1.692 -11.919 1.00 0.00 C ATOM 479 CG ASP A 33 -19.516 1.794 -12.576 1.00 0.00 C ATOM 480 OD1 ASP A 33 -19.587 2.277 -13.727 1.00 0.00 O ATOM 481 OD2 ASP A 33 -20.514 1.390 -11.942 1.00 0.00 O ATOM 0 H ASP A 33 -16.373 0.585 -10.534 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.100 -0.316 -12.682 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -18.276 1.681 -10.836 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -17.568 2.578 -12.164 1.00 0.00 H new ATOM 486 N GLY A 34 -15.166 0.849 -13.259 1.00 0.00 N ATOM 487 CA GLY A 34 -14.210 1.161 -14.304 1.00 0.00 C ATOM 488 C GLY A 34 -14.027 2.654 -14.489 1.00 0.00 C ATOM 489 O GLY A 34 -13.819 3.128 -15.605 1.00 0.00 O ATOM 0 H GLY A 34 -14.759 0.698 -12.336 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.249 0.707 -14.062 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.544 0.719 -15.243 1.00 0.00 H new ATOM 493 N ASP A 35 -14.110 3.397 -13.390 1.00 0.00 N ATOM 494 CA ASP A 35 -13.957 4.846 -13.434 1.00 0.00 C ATOM 495 C ASP A 35 -12.490 5.254 -13.351 1.00 0.00 C ATOM 496 O ASP A 35 -12.108 6.325 -13.823 1.00 0.00 O ATOM 497 CB ASP A 35 -14.745 5.497 -12.297 1.00 0.00 C ATOM 498 CG ASP A 35 -15.387 6.806 -12.713 1.00 0.00 C ATOM 499 OD1 ASP A 35 -14.644 7.760 -13.023 1.00 0.00 O ATOM 500 OD2 ASP A 35 -16.635 6.877 -12.730 1.00 0.00 O ATOM 0 H ASP A 35 -14.282 3.019 -12.458 1.00 0.00 H new ATOM 0 HA ASP A 35 -14.351 5.193 -14.389 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -15.518 4.809 -11.954 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.079 5.674 -11.452 1.00 0.00 H new ATOM 505 N LYS A 36 -11.674 4.400 -12.746 1.00 0.00 N ATOM 506 CA LYS A 36 -10.250 4.684 -12.602 1.00 0.00 C ATOM 507 C LYS A 36 -9.513 3.513 -11.972 1.00 0.00 C ATOM 508 O LYS A 36 -10.121 2.603 -11.408 1.00 0.00 O ATOM 509 CB LYS A 36 -10.043 5.947 -11.764 1.00 0.00 C ATOM 510 CG LYS A 36 -10.424 5.779 -10.299 1.00 0.00 C ATOM 511 CD LYS A 36 -11.655 6.598 -9.941 1.00 0.00 C ATOM 512 CE LYS A 36 -11.279 7.993 -9.470 1.00 0.00 C ATOM 513 NZ LYS A 36 -10.578 8.768 -10.530 1.00 0.00 N ATOM 0 H LYS A 36 -11.971 3.509 -12.349 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.839 4.845 -13.599 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.997 6.246 -11.826 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.632 6.758 -12.193 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.614 4.726 -10.091 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.589 6.083 -9.668 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.310 6.670 -10.809 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.218 6.088 -9.159 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.179 8.528 -9.165 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.638 7.919 -8.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.490 9.761 -10.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.631 8.367 -10.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.123 8.718 -11.414 1.00 0.00 H new ATOM 527 N VAL A 37 -8.195 3.542 -12.100 1.00 0.00 N ATOM 528 CA VAL A 37 -7.350 2.488 -11.579 1.00 0.00 C ATOM 529 C VAL A 37 -6.018 3.048 -11.081 1.00 0.00 C ATOM 530 O VAL A 37 -5.504 4.026 -11.621 1.00 0.00 O ATOM 531 CB VAL A 37 -7.099 1.429 -12.671 1.00 0.00 C ATOM 532 CG1 VAL A 37 -6.928 2.104 -14.028 1.00 0.00 C ATOM 533 CG2 VAL A 37 -5.898 0.546 -12.339 1.00 0.00 C ATOM 0 H VAL A 37 -7.687 4.294 -12.566 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.862 2.025 -10.736 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.971 0.776 -12.714 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.751 1.346 -14.792 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -7.831 2.662 -14.273 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.079 2.786 -13.991 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.755 -0.187 -13.133 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.005 1.165 -12.251 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.076 0.029 -11.396 1.00 0.00 H new ATOM 543 N HIS A 38 -5.467 2.414 -10.051 1.00 0.00 N ATOM 544 CA HIS A 38 -4.195 2.843 -9.481 1.00 0.00 C ATOM 545 C HIS A 38 -3.174 1.711 -9.526 1.00 0.00 C ATOM 546 O HIS A 38 -3.382 0.652 -8.933 1.00 0.00 O ATOM 547 CB HIS A 38 -4.391 3.313 -8.039 1.00 0.00 C ATOM 548 CG HIS A 38 -4.923 4.709 -7.932 1.00 0.00 C ATOM 549 ND1 HIS A 38 -4.111 5.817 -7.812 1.00 0.00 N ATOM 550 CD2 HIS A 38 -6.195 5.174 -7.928 1.00 0.00 C ATOM 551 CE1 HIS A 38 -4.861 6.903 -7.737 1.00 0.00 C ATOM 552 NE2 HIS A 38 -6.128 6.540 -7.807 1.00 0.00 N ATOM 0 H HIS A 38 -5.881 1.602 -9.594 1.00 0.00 H new ATOM 0 HA HIS A 38 -3.818 3.674 -10.077 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -5.076 2.632 -7.533 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.438 3.255 -7.514 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -7.094 4.581 -8.006 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -4.499 7.915 -7.636 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -6.928 7.172 -7.776 1.00 0.00 H new ATOM 561 N THR A 39 -2.072 1.939 -10.233 1.00 0.00 N ATOM 562 CA THR A 39 -1.022 0.935 -10.352 1.00 0.00 C ATOM 563 C THR A 39 0.086 1.186 -9.335 1.00 0.00 C ATOM 564 O THR A 39 0.446 2.333 -9.065 1.00 0.00 O ATOM 565 CB THR A 39 -0.441 0.936 -11.769 1.00 0.00 C ATOM 566 OG1 THR A 39 -1.338 1.550 -12.678 1.00 0.00 O ATOM 567 CG2 THR A 39 -0.138 -0.452 -12.291 1.00 0.00 C ATOM 0 H THR A 39 -1.883 2.809 -10.731 1.00 0.00 H new ATOM 0 HA THR A 39 -1.463 -0.041 -10.150 1.00 0.00 H new ATOM 0 HB THR A 39 0.493 1.493 -11.699 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.949 1.543 -13.577 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.271 -0.380 -13.299 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.589 -0.936 -11.638 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.055 -1.041 -12.312 1.00 0.00 H new ATOM 575 N VAL A 40 0.616 0.109 -8.765 1.00 0.00 N ATOM 576 CA VAL A 40 1.674 0.214 -7.770 1.00 0.00 C ATOM 577 C VAL A 40 2.870 -0.658 -8.134 1.00 0.00 C ATOM 578 O VAL A 40 2.710 -1.787 -8.596 1.00 0.00 O ATOM 579 CB VAL A 40 1.154 -0.189 -6.366 1.00 0.00 C ATOM 580 CG1 VAL A 40 1.971 -1.330 -5.763 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.156 1.004 -5.432 1.00 0.00 C ATOM 0 H VAL A 40 0.329 -0.847 -8.976 1.00 0.00 H new ATOM 0 HA VAL A 40 1.994 1.256 -7.751 1.00 0.00 H new ATOM 0 HB VAL A 40 0.130 -0.542 -6.490 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.574 -1.582 -4.780 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.911 -2.203 -6.413 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.012 -1.021 -5.666 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.788 0.700 -4.452 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.171 1.388 -5.335 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.510 1.784 -5.836 1.00 0.00 H new ATOM 591 N VAL A 41 4.063 -0.138 -7.886 1.00 0.00 N ATOM 592 CA VAL A 41 5.286 -0.879 -8.148 1.00 0.00 C ATOM 593 C VAL A 41 5.853 -1.391 -6.831 1.00 0.00 C ATOM 594 O VAL A 41 6.584 -0.679 -6.142 1.00 0.00 O ATOM 595 CB VAL A 41 6.344 -0.014 -8.858 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.523 -0.867 -9.304 1.00 0.00 C ATOM 597 CG2 VAL A 41 5.728 0.719 -10.041 1.00 0.00 C ATOM 0 H VAL A 41 4.209 0.796 -7.503 1.00 0.00 H new ATOM 0 HA VAL A 41 5.039 -1.710 -8.809 1.00 0.00 H new ATOM 0 HB VAL A 41 6.712 0.729 -8.151 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.259 -0.237 -9.803 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.980 -1.340 -8.434 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.175 -1.636 -9.994 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.490 1.325 -10.530 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.330 -0.006 -10.751 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.922 1.364 -9.690 1.00 0.00 H new ATOM 607 N LEU A 42 5.493 -2.625 -6.478 1.00 0.00 N ATOM 608 CA LEU A 42 5.937 -3.243 -5.229 1.00 0.00 C ATOM 609 C LEU A 42 7.411 -2.947 -4.931 1.00 0.00 C ATOM 610 O LEU A 42 7.830 -2.951 -3.773 1.00 0.00 O ATOM 611 CB LEU A 42 5.706 -4.755 -5.283 1.00 0.00 C ATOM 612 CG LEU A 42 4.248 -5.230 -5.154 1.00 0.00 C ATOM 613 CD1 LEU A 42 3.844 -5.375 -3.701 1.00 0.00 C ATOM 614 CD2 LEU A 42 3.282 -4.295 -5.853 1.00 0.00 C ATOM 0 H LEU A 42 4.890 -3.221 -7.045 1.00 0.00 H new ATOM 0 HA LEU A 42 5.347 -2.810 -4.421 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.104 -5.128 -6.227 1.00 0.00 H new ATOM 0 HB3 LEU A 42 6.288 -5.218 -4.486 1.00 0.00 H new ATOM 0 HG LEU A 42 4.197 -6.204 -5.640 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.809 -5.712 -3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.491 -6.105 -3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.941 -4.413 -3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.265 -4.669 -5.736 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.356 -3.300 -5.413 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.530 -4.242 -6.913 1.00 0.00 H new ATOM 626 N SER A 43 8.189 -2.671 -5.977 1.00 0.00 N ATOM 627 CA SER A 43 9.604 -2.356 -5.816 1.00 0.00 C ATOM 628 C SER A 43 9.754 -0.950 -5.264 1.00 0.00 C ATOM 629 O SER A 43 10.453 -0.728 -4.276 1.00 0.00 O ATOM 630 CB SER A 43 10.340 -2.485 -7.152 1.00 0.00 C ATOM 631 OG SER A 43 11.343 -1.491 -7.289 1.00 0.00 O ATOM 0 H SER A 43 7.862 -2.660 -6.943 1.00 0.00 H new ATOM 0 HA SER A 43 10.046 -3.064 -5.115 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.793 -3.474 -7.225 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.627 -2.400 -7.972 1.00 0.00 H new ATOM 0 HG SER A 43 12.074 -1.838 -7.842 1.00 0.00 H new ATOM 637 N THR A 44 9.067 -0.003 -5.893 1.00 0.00 N ATOM 638 CA THR A 44 9.098 1.369 -5.451 1.00 0.00 C ATOM 639 C THR A 44 8.471 1.461 -4.069 1.00 0.00 C ATOM 640 O THR A 44 8.813 2.337 -3.274 1.00 0.00 O ATOM 641 CB THR A 44 8.343 2.249 -6.440 1.00 0.00 C ATOM 642 OG1 THR A 44 6.951 1.999 -6.376 1.00 0.00 O ATOM 643 CG2 THR A 44 8.783 2.055 -7.876 1.00 0.00 C ATOM 0 H THR A 44 8.483 -0.170 -6.712 1.00 0.00 H new ATOM 0 HA THR A 44 10.130 1.717 -5.399 1.00 0.00 H new ATOM 0 HB THR A 44 8.572 3.273 -6.145 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.798 1.058 -6.149 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.205 2.712 -8.526 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.842 2.295 -7.968 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.619 1.018 -8.170 1.00 0.00 H new ATOM 651 N ILE A 45 7.558 0.531 -3.783 1.00 0.00 N ATOM 652 CA ILE A 45 6.896 0.492 -2.488 1.00 0.00 C ATOM 653 C ILE A 45 7.923 0.392 -1.360 1.00 0.00 C ATOM 654 O ILE A 45 8.563 -0.643 -1.182 1.00 0.00 O ATOM 655 CB ILE A 45 5.925 -0.703 -2.396 1.00 0.00 C ATOM 656 CG1 ILE A 45 4.849 -0.592 -3.481 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.296 -0.774 -1.011 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.905 0.574 -3.289 1.00 0.00 C ATOM 0 H ILE A 45 7.264 -0.200 -4.431 1.00 0.00 H new ATOM 0 HA ILE A 45 6.330 1.418 -2.383 1.00 0.00 H new ATOM 0 HB ILE A 45 6.484 -1.624 -2.559 1.00 0.00 H new ATOM 0 HG12 ILE A 45 5.334 -0.498 -4.452 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.271 -1.516 -3.502 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.614 -1.623 -0.964 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.078 -0.895 -0.262 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.745 0.146 -0.814 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.172 0.586 -4.096 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.391 0.472 -2.333 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.471 1.506 -3.299 1.00 0.00 H new ATOM 670 N ASP A 46 8.074 1.475 -0.604 1.00 0.00 N ATOM 671 CA ASP A 46 9.023 1.514 0.505 1.00 0.00 C ATOM 672 C ASP A 46 8.824 0.325 1.442 1.00 0.00 C ATOM 673 O ASP A 46 9.782 -0.194 2.015 1.00 0.00 O ATOM 674 CB ASP A 46 8.875 2.821 1.285 1.00 0.00 C ATOM 675 CG ASP A 46 9.997 3.031 2.282 1.00 0.00 C ATOM 676 OD1 ASP A 46 9.964 2.394 3.356 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.910 3.832 1.988 1.00 0.00 O ATOM 0 H ASP A 46 7.550 2.340 -0.739 1.00 0.00 H new ATOM 0 HA ASP A 46 10.028 1.458 0.088 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.853 3.657 0.586 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.921 2.820 1.811 1.00 0.00 H new ATOM 682 N LYS A 47 7.574 -0.103 1.592 1.00 0.00 N ATOM 683 CA LYS A 47 7.255 -1.232 2.457 1.00 0.00 C ATOM 684 C LYS A 47 5.810 -1.682 2.262 1.00 0.00 C ATOM 685 O LYS A 47 4.999 -0.970 1.671 1.00 0.00 O ATOM 686 CB LYS A 47 7.499 -0.867 3.925 1.00 0.00 C ATOM 687 CG LYS A 47 6.525 0.163 4.474 1.00 0.00 C ATOM 688 CD LYS A 47 6.549 0.199 5.995 1.00 0.00 C ATOM 689 CE LYS A 47 6.746 1.614 6.517 1.00 0.00 C ATOM 690 NZ LYS A 47 7.589 1.640 7.744 1.00 0.00 N ATOM 0 H LYS A 47 6.768 0.314 1.127 1.00 0.00 H new ATOM 0 HA LYS A 47 7.910 -2.059 2.184 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.435 -1.772 4.530 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.514 -0.485 4.030 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.777 1.148 4.082 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.517 -0.069 4.130 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.615 -0.207 6.384 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.352 -0.440 6.362 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.211 2.225 5.744 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.775 2.060 6.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.700 2.622 8.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.133 1.078 8.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.524 1.238 7.531 1.00 0.00 H new ATOM 704 N LEU A 48 5.500 -2.871 2.764 1.00 0.00 N ATOM 705 CA LEU A 48 4.157 -3.428 2.650 1.00 0.00 C ATOM 706 C LEU A 48 3.459 -3.424 4.009 1.00 0.00 C ATOM 707 O LEU A 48 3.920 -4.068 4.951 1.00 0.00 O ATOM 708 CB LEU A 48 4.234 -4.859 2.113 1.00 0.00 C ATOM 709 CG LEU A 48 2.896 -5.591 2.027 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.029 -4.982 0.938 1.00 0.00 C ATOM 711 CD2 LEU A 48 3.116 -7.075 1.769 1.00 0.00 C ATOM 0 H LEU A 48 6.163 -3.470 3.256 1.00 0.00 H new ATOM 0 HA LEU A 48 3.581 -2.812 1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.682 -4.834 1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.905 -5.434 2.751 1.00 0.00 H new ATOM 0 HG LEU A 48 2.379 -5.482 2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.079 -5.514 0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.845 -3.932 1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.540 -5.063 -0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.152 -7.581 1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.652 -7.205 0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.702 -7.503 2.583 1.00 0.00 H new ATOM 723 N GLN A 49 2.349 -2.698 4.109 1.00 0.00 N ATOM 724 CA GLN A 49 1.597 -2.619 5.355 1.00 0.00 C ATOM 725 C GLN A 49 0.214 -3.231 5.183 1.00 0.00 C ATOM 726 O GLN A 49 -0.369 -3.163 4.107 1.00 0.00 O ATOM 727 CB GLN A 49 1.464 -1.164 5.800 1.00 0.00 C ATOM 728 CG GLN A 49 1.649 -0.964 7.295 1.00 0.00 C ATOM 729 CD GLN A 49 1.329 0.450 7.739 1.00 0.00 C ATOM 730 OE1 GLN A 49 0.739 1.229 6.990 1.00 0.00 O ATOM 731 NE2 GLN A 49 1.717 0.788 8.963 1.00 0.00 N ATOM 0 H GLN A 49 1.951 -2.156 3.342 1.00 0.00 H new ATOM 0 HA GLN A 49 2.138 -3.179 6.118 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.200 -0.562 5.268 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.480 -0.793 5.512 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.009 -1.663 7.833 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.678 -1.201 7.565 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.203 0.110 9.549 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.529 1.726 9.317 1.00 0.00 H new ATOM 740 N ALA A 50 -0.306 -3.835 6.243 1.00 0.00 N ATOM 741 CA ALA A 50 -1.619 -4.454 6.191 1.00 0.00 C ATOM 742 C ALA A 50 -2.228 -4.571 7.585 1.00 0.00 C ATOM 743 O ALA A 50 -1.539 -4.931 8.540 1.00 0.00 O ATOM 744 CB ALA A 50 -1.507 -5.813 5.533 1.00 0.00 C ATOM 0 H ALA A 50 0.162 -3.908 7.146 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.284 -3.824 5.600 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.491 -6.280 5.493 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.119 -5.696 4.521 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.830 -6.442 6.111 1.00 0.00 H new ATOM 750 N THR A 51 -3.519 -4.262 7.705 1.00 0.00 N ATOM 751 CA THR A 51 -4.200 -4.336 8.994 1.00 0.00 C ATOM 752 C THR A 51 -4.051 -5.729 9.610 1.00 0.00 C ATOM 753 O THR A 51 -4.455 -6.726 9.010 1.00 0.00 O ATOM 754 CB THR A 51 -5.682 -3.995 8.839 1.00 0.00 C ATOM 755 OG1 THR A 51 -6.351 -4.992 8.092 1.00 0.00 O ATOM 756 CG2 THR A 51 -5.925 -2.666 8.157 1.00 0.00 C ATOM 0 H THR A 51 -4.110 -3.960 6.930 1.00 0.00 H new ATOM 0 HA THR A 51 -3.736 -3.608 9.660 1.00 0.00 H new ATOM 0 HB THR A 51 -6.071 -3.937 9.856 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.594 -5.736 8.682 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.997 -2.487 8.080 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.465 -1.868 8.740 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.488 -2.684 7.159 1.00 0.00 H new ATOM 764 N PRO A 52 -3.466 -5.820 10.820 1.00 0.00 N ATOM 765 CA PRO A 52 -3.269 -7.103 11.505 1.00 0.00 C ATOM 766 C PRO A 52 -4.585 -7.731 11.949 1.00 0.00 C ATOM 767 O PRO A 52 -5.616 -7.060 12.009 1.00 0.00 O ATOM 768 CB PRO A 52 -2.416 -6.734 12.721 1.00 0.00 C ATOM 769 CG PRO A 52 -2.705 -5.294 12.965 1.00 0.00 C ATOM 770 CD PRO A 52 -2.951 -4.688 11.612 1.00 0.00 C ATOM 0 HA PRO A 52 -2.805 -7.843 10.853 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.677 -7.342 13.587 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.356 -6.897 12.525 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.575 -5.174 13.611 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.868 -4.807 13.465 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.672 -3.872 11.662 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.036 -4.280 11.182 1.00 0.00 H new ATOM 778 N ALA A 53 -4.544 -9.024 12.262 1.00 0.00 N ATOM 779 CA ALA A 53 -5.733 -9.745 12.703 1.00 0.00 C ATOM 780 C ALA A 53 -6.431 -9.017 13.847 1.00 0.00 C ATOM 781 O ALA A 53 -7.652 -9.085 13.988 1.00 0.00 O ATOM 782 CB ALA A 53 -5.365 -11.161 13.124 1.00 0.00 C ATOM 0 H ALA A 53 -3.699 -9.593 12.218 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.427 -9.793 11.864 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.261 -11.688 13.451 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.922 -11.688 12.279 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.648 -11.122 13.944 1.00 0.00 H new ATOM 788 N SER A 54 -5.647 -8.316 14.660 1.00 0.00 N ATOM 789 CA SER A 54 -6.190 -7.571 15.790 1.00 0.00 C ATOM 790 C SER A 54 -6.977 -6.351 15.316 1.00 0.00 C ATOM 791 O SER A 54 -7.773 -5.785 16.064 1.00 0.00 O ATOM 792 CB SER A 54 -5.062 -7.130 16.726 1.00 0.00 C ATOM 793 OG SER A 54 -5.580 -6.538 17.905 1.00 0.00 O ATOM 0 H SER A 54 -4.634 -8.248 14.557 1.00 0.00 H new ATOM 0 HA SER A 54 -6.869 -8.230 16.332 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.445 -7.990 16.988 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.416 -6.419 16.212 1.00 0.00 H new ATOM 0 HG SER A 54 -4.840 -6.266 18.487 1.00 0.00 H new ATOM 799 N SER A 55 -6.752 -5.954 14.066 1.00 0.00 N ATOM 800 CA SER A 55 -7.441 -4.806 13.492 1.00 0.00 C ATOM 801 C SER A 55 -8.824 -5.197 12.995 1.00 0.00 C ATOM 802 O SER A 55 -8.963 -6.048 12.116 1.00 0.00 O ATOM 803 CB SER A 55 -6.621 -4.219 12.342 1.00 0.00 C ATOM 804 OG SER A 55 -7.068 -2.916 12.009 1.00 0.00 O ATOM 0 H SER A 55 -6.097 -6.412 13.432 1.00 0.00 H new ATOM 0 HA SER A 55 -7.554 -4.053 14.272 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.568 -4.185 12.622 1.00 0.00 H new ATOM 0 HB3 SER A 55 -6.697 -4.867 11.469 1.00 0.00 H new ATOM 0 HG SER A 55 -7.762 -2.636 12.642 1.00 0.00 H new ATOM 810 N GLU A 56 -9.846 -4.563 13.557 1.00 0.00 N ATOM 811 CA GLU A 56 -11.221 -4.837 13.164 1.00 0.00 C ATOM 812 C GLU A 56 -11.460 -4.441 11.708 1.00 0.00 C ATOM 813 O GLU A 56 -12.490 -4.781 11.126 1.00 0.00 O ATOM 814 CB GLU A 56 -12.193 -4.087 14.076 1.00 0.00 C ATOM 815 CG GLU A 56 -13.582 -4.704 14.123 1.00 0.00 C ATOM 816 CD GLU A 56 -14.212 -4.620 15.500 1.00 0.00 C ATOM 817 OE1 GLU A 56 -14.598 -3.505 15.908 1.00 0.00 O ATOM 818 OE2 GLU A 56 -14.317 -5.668 16.170 1.00 0.00 O ATOM 0 H GLU A 56 -9.748 -3.856 14.286 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.395 -5.908 13.263 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.783 -4.059 15.085 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.274 -3.055 13.736 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.225 -4.198 13.402 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.522 -5.749 13.818 1.00 0.00 H new ATOM 825 N LYS A 57 -10.504 -3.718 11.123 1.00 0.00 N ATOM 826 CA LYS A 57 -10.623 -3.282 9.735 1.00 0.00 C ATOM 827 C LYS A 57 -9.605 -3.990 8.847 1.00 0.00 C ATOM 828 O LYS A 57 -8.406 -3.721 8.920 1.00 0.00 O ATOM 829 CB LYS A 57 -10.444 -1.765 9.626 1.00 0.00 C ATOM 830 CG LYS A 57 -9.467 -1.188 10.634 1.00 0.00 C ATOM 831 CD LYS A 57 -10.176 -0.746 11.903 1.00 0.00 C ATOM 832 CE LYS A 57 -10.649 0.695 11.802 1.00 0.00 C ATOM 833 NZ LYS A 57 -12.017 0.792 11.221 1.00 0.00 N ATOM 0 H LYS A 57 -9.644 -3.424 11.587 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.623 -3.545 9.391 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.101 -1.521 8.621 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.413 -1.284 9.758 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -8.711 -1.934 10.879 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -8.945 -0.339 10.192 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.029 -1.398 12.091 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.502 -0.850 12.753 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.643 1.149 12.793 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.952 1.263 11.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.456 1.688 11.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.957 0.759 10.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.595 -0.003 11.560 1.00 0.00 H new ATOM 847 N MET A 58 -10.094 -4.897 8.007 1.00 0.00 N ATOM 848 CA MET A 58 -9.235 -5.647 7.097 1.00 0.00 C ATOM 849 C MET A 58 -8.821 -4.780 5.911 1.00 0.00 C ATOM 850 O MET A 58 -9.632 -4.492 5.031 1.00 0.00 O ATOM 851 CB MET A 58 -9.959 -6.899 6.600 1.00 0.00 C ATOM 852 CG MET A 58 -11.370 -6.629 6.099 1.00 0.00 C ATOM 853 SD MET A 58 -12.637 -7.081 7.300 1.00 0.00 S ATOM 854 CE MET A 58 -12.211 -8.791 7.617 1.00 0.00 C ATOM 0 H MET A 58 -11.084 -5.131 7.938 1.00 0.00 H new ATOM 0 HA MET A 58 -8.338 -5.946 7.639 1.00 0.00 H new ATOM 0 HB2 MET A 58 -9.377 -7.350 5.796 1.00 0.00 H new ATOM 0 HB3 MET A 58 -10.003 -7.628 7.409 1.00 0.00 H new ATOM 0 HG2 MET A 58 -11.468 -5.571 5.855 1.00 0.00 H new ATOM 0 HG3 MET A 58 -11.536 -7.185 5.176 1.00 0.00 H new ATOM 0 HE1 MET A 58 -13.031 -9.435 7.300 1.00 0.00 H new ATOM 0 HE2 MET A 58 -11.310 -9.051 7.061 1.00 0.00 H new ATOM 0 HE3 MET A 58 -12.032 -8.930 8.683 1.00 0.00 H new ATOM 864 N MET A 59 -7.562 -4.353 5.900 1.00 0.00 N ATOM 865 CA MET A 59 -7.057 -3.507 4.825 1.00 0.00 C ATOM 866 C MET A 59 -5.570 -3.730 4.574 1.00 0.00 C ATOM 867 O MET A 59 -4.829 -4.140 5.466 1.00 0.00 O ATOM 868 CB MET A 59 -7.290 -2.039 5.170 1.00 0.00 C ATOM 869 CG MET A 59 -8.690 -1.749 5.688 1.00 0.00 C ATOM 870 SD MET A 59 -8.974 0.008 5.975 1.00 0.00 S ATOM 871 CE MET A 59 -8.415 0.169 7.668 1.00 0.00 C ATOM 0 H MET A 59 -6.876 -4.578 6.620 1.00 0.00 H new ATOM 0 HA MET A 59 -7.598 -3.775 3.918 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.563 -1.731 5.922 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.107 -1.433 4.283 1.00 0.00 H new ATOM 0 HG2 MET A 59 -9.423 -2.119 4.971 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.850 -2.296 6.617 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.221 0.573 8.280 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.125 -0.810 8.050 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.558 0.842 7.706 1.00 0.00 H new ATOM 881 N LEU A 60 -5.140 -3.422 3.354 1.00 0.00 N ATOM 882 CA LEU A 60 -3.733 -3.551 2.977 1.00 0.00 C ATOM 883 C LEU A 60 -3.199 -2.213 2.470 1.00 0.00 C ATOM 884 O LEU A 60 -3.950 -1.408 1.918 1.00 0.00 O ATOM 885 CB LEU A 60 -3.546 -4.625 1.900 1.00 0.00 C ATOM 886 CG LEU A 60 -4.083 -6.019 2.242 1.00 0.00 C ATOM 887 CD1 LEU A 60 -3.610 -7.023 1.210 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.634 -6.462 3.625 1.00 0.00 C ATOM 0 H LEU A 60 -5.745 -3.081 2.607 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.174 -3.851 3.863 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.033 -4.284 0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.482 -4.711 1.681 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.172 -5.969 2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.996 -8.011 1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.973 -6.730 0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.520 -7.050 1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.032 -7.454 3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.545 -6.492 3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.003 -5.757 4.370 1.00 0.00 H new ATOM 900 N ARG A 61 -1.906 -1.970 2.672 1.00 0.00 N ATOM 901 CA ARG A 61 -1.295 -0.715 2.245 1.00 0.00 C ATOM 902 C ARG A 61 0.151 -0.906 1.796 1.00 0.00 C ATOM 903 O ARG A 61 0.854 -1.786 2.288 1.00 0.00 O ATOM 904 CB ARG A 61 -1.327 0.294 3.390 1.00 0.00 C ATOM 905 CG ARG A 61 -1.033 1.722 2.959 1.00 0.00 C ATOM 906 CD ARG A 61 -1.312 2.711 4.080 1.00 0.00 C ATOM 907 NE ARG A 61 -0.196 2.805 5.017 1.00 0.00 N ATOM 908 CZ ARG A 61 -0.052 3.788 5.903 1.00 0.00 C ATOM 909 NH1 ARG A 61 -0.951 4.762 5.975 1.00 0.00 N ATOM 910 NH2 ARG A 61 0.992 3.798 6.719 1.00 0.00 N ATOM 0 H ARG A 61 -1.265 -2.621 3.126 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.871 -0.347 1.396 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.309 0.262 3.863 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.600 -0.005 4.145 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.010 1.803 2.652 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.642 1.974 2.090 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.512 3.694 3.654 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.211 2.407 4.616 1.00 0.00 H new ATOM 0 HE ARG A 61 0.515 2.074 4.991 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.757 4.760 5.350 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.836 5.513 6.656 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.686 3.052 6.668 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.102 4.552 7.398 1.00 0.00 H new ATOM 924 N LEU A 62 0.590 -0.053 0.875 1.00 0.00 N ATOM 925 CA LEU A 62 1.959 -0.094 0.373 1.00 0.00 C ATOM 926 C LEU A 62 2.595 1.288 0.467 1.00 0.00 C ATOM 927 O LEU A 62 2.137 2.233 -0.174 1.00 0.00 O ATOM 928 CB LEU A 62 1.991 -0.578 -1.076 1.00 0.00 C ATOM 929 CG LEU A 62 1.425 -1.979 -1.306 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.186 -1.898 -2.173 1.00 0.00 C ATOM 931 CD2 LEU A 62 2.473 -2.897 -1.933 1.00 0.00 C ATOM 0 H LEU A 62 0.013 0.679 0.460 1.00 0.00 H new ATOM 0 HA LEU A 62 2.526 -0.794 0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.432 0.128 -1.691 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.023 -0.558 -1.426 1.00 0.00 H new ATOM 0 HG LEU A 62 1.149 -2.407 -0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.212 -2.900 -2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.566 -1.284 -1.677 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.443 -1.452 -3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.044 -3.887 -2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.789 -2.486 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.334 -2.973 -1.269 1.00 0.00 H new ATOM 943 N ILE A 63 3.648 1.410 1.267 1.00 0.00 N ATOM 944 CA ILE A 63 4.327 2.690 1.430 1.00 0.00 C ATOM 945 C ILE A 63 5.207 2.998 0.227 1.00 0.00 C ATOM 946 O ILE A 63 5.623 2.095 -0.492 1.00 0.00 O ATOM 947 CB ILE A 63 5.196 2.715 2.703 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.412 2.166 3.894 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.682 4.129 2.987 1.00 0.00 C ATOM 950 CD1 ILE A 63 3.186 2.980 4.239 1.00 0.00 C ATOM 0 H ILE A 63 4.048 0.644 1.809 1.00 0.00 H new ATOM 0 HA ILE A 63 3.549 3.448 1.518 1.00 0.00 H new ATOM 0 HB ILE A 63 6.066 2.079 2.542 1.00 0.00 H new ATOM 0 HG12 ILE A 63 4.109 1.142 3.677 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.068 2.127 4.763 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.294 4.129 3.889 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.276 4.486 2.145 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.825 4.787 3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.680 2.531 5.094 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.484 3.999 4.488 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.509 2.998 3.385 1.00 0.00 H new ATOM 962 N GLY A 64 5.485 4.279 0.013 1.00 0.00 N ATOM 963 CA GLY A 64 6.316 4.684 -1.105 1.00 0.00 C ATOM 964 C GLY A 64 7.534 5.468 -0.663 1.00 0.00 C ATOM 965 O GLY A 64 7.634 5.867 0.496 1.00 0.00 O ATOM 0 H GLY A 64 5.149 5.046 0.595 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.636 3.799 -1.656 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.726 5.291 -1.792 1.00 0.00 H new ATOM 969 N LYS A 65 8.463 5.689 -1.586 1.00 0.00 N ATOM 970 CA LYS A 65 9.679 6.432 -1.278 1.00 0.00 C ATOM 971 C LYS A 65 9.524 7.906 -1.641 1.00 0.00 C ATOM 972 O LYS A 65 9.322 8.250 -2.806 1.00 0.00 O ATOM 973 CB LYS A 65 10.872 5.834 -2.025 1.00 0.00 C ATOM 974 CG LYS A 65 11.442 4.590 -1.362 1.00 0.00 C ATOM 975 CD LYS A 65 11.110 3.333 -2.150 1.00 0.00 C ATOM 976 CE LYS A 65 12.301 2.389 -2.222 1.00 0.00 C ATOM 977 NZ LYS A 65 12.286 1.569 -3.464 1.00 0.00 N ATOM 0 H LYS A 65 8.398 5.365 -2.551 1.00 0.00 H new ATOM 0 HA LYS A 65 9.857 6.357 -0.205 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.567 5.587 -3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.657 6.587 -2.102 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.524 4.688 -1.272 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.045 4.502 -0.351 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.267 2.822 -1.684 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.799 3.606 -3.158 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.225 2.966 -2.179 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.296 1.731 -1.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.198 1.079 -3.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.521 0.867 -3.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.129 2.187 -4.286 1.00 0.00 H new ATOM 991 N VAL A 66 9.623 8.771 -0.638 1.00 0.00 N ATOM 992 CA VAL A 66 9.497 10.207 -0.855 1.00 0.00 C ATOM 993 C VAL A 66 10.736 10.755 -1.560 1.00 0.00 C ATOM 994 O VAL A 66 11.792 10.121 -1.555 1.00 0.00 O ATOM 995 CB VAL A 66 9.279 10.958 0.474 1.00 0.00 C ATOM 996 CG1 VAL A 66 10.521 10.891 1.349 1.00 0.00 C ATOM 997 CG2 VAL A 66 8.873 12.401 0.217 1.00 0.00 C ATOM 0 H VAL A 66 9.790 8.503 0.332 1.00 0.00 H new ATOM 0 HA VAL A 66 8.625 10.368 -1.488 1.00 0.00 H new ATOM 0 HB VAL A 66 8.466 10.467 1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 66 10.340 11.429 2.280 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.754 9.850 1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.361 11.347 0.824 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.724 12.912 1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.658 12.905 -0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.945 12.422 -0.355 1.00 0.00 H new ATOM 1007 N ASP A 67 10.605 11.927 -2.174 1.00 0.00 N ATOM 1008 CA ASP A 67 11.722 12.539 -2.887 1.00 0.00 C ATOM 1009 C ASP A 67 11.950 13.976 -2.435 1.00 0.00 C ATOM 1010 O ASP A 67 12.316 14.837 -3.235 1.00 0.00 O ATOM 1011 CB ASP A 67 11.470 12.504 -4.395 1.00 0.00 C ATOM 1012 CG ASP A 67 12.754 12.561 -5.198 1.00 0.00 C ATOM 1013 OD1 ASP A 67 13.734 11.897 -4.800 1.00 0.00 O ATOM 1014 OD2 ASP A 67 12.781 13.271 -6.226 1.00 0.00 O ATOM 0 H ASP A 67 9.742 12.470 -2.193 1.00 0.00 H new ATOM 0 HA ASP A 67 12.618 11.963 -2.656 1.00 0.00 H new ATOM 0 HB2 ASP A 67 10.927 11.594 -4.649 1.00 0.00 H new ATOM 0 HB3 ASP A 67 10.833 13.344 -4.674 1.00 0.00 H new ATOM 1019 N GLU A 68 11.736 14.223 -1.147 1.00 0.00 N ATOM 1020 CA GLU A 68 11.919 15.555 -0.568 1.00 0.00 C ATOM 1021 C GLU A 68 11.402 16.649 -1.503 1.00 0.00 C ATOM 1022 O GLU A 68 11.936 17.759 -1.529 1.00 0.00 O ATOM 1023 CB GLU A 68 13.397 15.797 -0.256 1.00 0.00 C ATOM 1024 CG GLU A 68 14.291 15.770 -1.485 1.00 0.00 C ATOM 1025 CD GLU A 68 15.732 16.114 -1.165 1.00 0.00 C ATOM 1026 OE1 GLU A 68 15.973 16.737 -0.110 1.00 0.00 O ATOM 1027 OE2 GLU A 68 16.620 15.761 -1.970 1.00 0.00 O ATOM 0 H GLU A 68 11.434 13.515 -0.478 1.00 0.00 H new ATOM 0 HA GLU A 68 11.341 15.597 0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 68 13.502 16.763 0.238 1.00 0.00 H new ATOM 0 HB3 GLU A 68 13.740 15.039 0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.250 14.779 -1.938 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.909 16.475 -2.224 1.00 0.00 H new ATOM 1034 N SER A 69 10.364 16.329 -2.270 1.00 0.00 N ATOM 1035 CA SER A 69 9.783 17.284 -3.206 1.00 0.00 C ATOM 1036 C SER A 69 8.592 18.002 -2.584 1.00 0.00 C ATOM 1037 O SER A 69 8.269 19.130 -2.957 1.00 0.00 O ATOM 1038 CB SER A 69 9.353 16.576 -4.492 1.00 0.00 C ATOM 1039 OG SER A 69 10.423 16.505 -5.417 1.00 0.00 O ATOM 0 H SER A 69 9.909 15.416 -2.261 1.00 0.00 H new ATOM 0 HA SER A 69 10.545 18.025 -3.446 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.003 15.571 -4.258 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.515 17.108 -4.941 1.00 0.00 H new ATOM 0 HG SER A 69 10.123 16.047 -6.230 1.00 0.00 H new ATOM 1045 N LYS A 70 7.947 17.342 -1.633 1.00 0.00 N ATOM 1046 CA LYS A 70 6.790 17.916 -0.955 1.00 0.00 C ATOM 1047 C LYS A 70 7.167 19.215 -0.248 1.00 0.00 C ATOM 1048 O LYS A 70 6.878 20.306 -0.739 1.00 0.00 O ATOM 1049 CB LYS A 70 6.215 16.919 0.053 1.00 0.00 C ATOM 1050 CG LYS A 70 5.563 15.708 -0.594 1.00 0.00 C ATOM 1051 CD LYS A 70 4.089 15.952 -0.874 1.00 0.00 C ATOM 1052 CE LYS A 70 3.217 15.477 0.277 1.00 0.00 C ATOM 1053 NZ LYS A 70 2.832 16.596 1.182 1.00 0.00 N ATOM 0 H LYS A 70 8.204 16.408 -1.312 1.00 0.00 H new ATOM 0 HA LYS A 70 6.031 18.138 -1.706 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.014 16.582 0.714 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.479 17.428 0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.077 15.471 -1.526 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.672 14.842 0.059 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.921 17.015 -1.044 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.801 15.433 -1.788 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.318 15.005 -0.120 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.751 14.717 0.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.789 16.251 2.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.538 17.357 1.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.900 16.963 0.903 1.00 0.00 H new ATOM 1067 N LYS A 71 7.817 19.091 0.906 1.00 0.00 N ATOM 1068 CA LYS A 71 8.236 20.256 1.678 1.00 0.00 C ATOM 1069 C LYS A 71 7.047 21.157 1.997 1.00 0.00 C ATOM 1070 O LYS A 71 6.722 22.065 1.232 1.00 0.00 O ATOM 1071 CB LYS A 71 9.299 21.045 0.912 1.00 0.00 C ATOM 1072 CG LYS A 71 10.719 20.584 1.191 1.00 0.00 C ATOM 1073 CD LYS A 71 11.672 21.015 0.087 1.00 0.00 C ATOM 1074 CE LYS A 71 12.220 22.410 0.338 1.00 0.00 C ATOM 1075 NZ LYS A 71 11.452 23.450 -0.402 1.00 0.00 N ATOM 0 H LYS A 71 8.065 18.195 1.327 1.00 0.00 H new ATOM 0 HA LYS A 71 8.661 19.903 2.618 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.102 20.960 -0.157 1.00 0.00 H new ATOM 0 HB3 LYS A 71 9.212 22.101 1.170 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.055 20.994 2.144 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.738 19.498 1.286 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.497 20.306 0.019 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.154 20.994 -0.872 1.00 0.00 H new ATOM 0 HE2 LYS A 71 12.188 22.626 1.406 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.267 22.449 0.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.068 24.266 -0.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.112 23.056 -1.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.640 23.755 0.171 1.00 0.00 H new ATOM 1089 N ARG A 72 6.403 20.900 3.130 1.00 0.00 N ATOM 1090 CA ARG A 72 5.251 21.689 3.551 1.00 0.00 C ATOM 1091 C ARG A 72 5.558 22.455 4.834 1.00 0.00 C ATOM 1092 O ARG A 72 5.927 21.862 5.849 1.00 0.00 O ATOM 1093 CB ARG A 72 4.028 20.783 3.742 1.00 0.00 C ATOM 1094 CG ARG A 72 3.997 20.057 5.079 1.00 0.00 C ATOM 1095 CD ARG A 72 3.371 20.921 6.161 1.00 0.00 C ATOM 1096 NE ARG A 72 2.021 20.478 6.502 1.00 0.00 N ATOM 1097 CZ ARG A 72 1.756 19.386 7.217 1.00 0.00 C ATOM 1098 NH1 ARG A 72 2.745 18.624 7.666 1.00 0.00 N ATOM 1099 NH2 ARG A 72 0.500 19.056 7.482 1.00 0.00 N ATOM 0 H ARG A 72 6.659 20.151 3.774 1.00 0.00 H new ATOM 0 HA ARG A 72 5.027 22.415 2.770 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.124 21.385 3.646 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.006 20.046 2.939 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.433 19.130 4.979 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.011 19.783 5.370 1.00 0.00 H new ATOM 0 HD2 ARG A 72 3.997 20.895 7.053 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.338 21.957 5.824 1.00 0.00 H new ATOM 0 HE ARG A 72 1.235 21.038 6.173 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.713 18.874 7.464 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.537 17.789 8.213 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.264 19.638 7.138 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.297 18.220 8.030 1.00 0.00 H new ATOM 1113 N LYS A 73 5.407 23.773 4.782 1.00 0.00 N ATOM 1114 CA LYS A 73 5.671 24.617 5.942 1.00 0.00 C ATOM 1115 C LYS A 73 4.543 24.505 6.963 1.00 0.00 C ATOM 1116 O LYS A 73 3.433 24.090 6.634 1.00 0.00 O ATOM 1117 CB LYS A 73 5.846 26.076 5.514 1.00 0.00 C ATOM 1118 CG LYS A 73 6.668 26.245 4.245 1.00 0.00 C ATOM 1119 CD LYS A 73 7.758 27.290 4.419 1.00 0.00 C ATOM 1120 CE LYS A 73 8.678 27.342 3.210 1.00 0.00 C ATOM 1121 NZ LYS A 73 9.694 28.426 3.330 1.00 0.00 N ATOM 0 H LYS A 73 5.104 24.280 3.951 1.00 0.00 H new ATOM 0 HA LYS A 73 6.595 24.272 6.407 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.863 26.522 5.362 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.324 26.628 6.323 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.118 25.290 3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.014 26.535 3.423 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.304 28.269 4.574 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.341 27.064 5.312 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.183 26.383 3.097 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.085 27.499 2.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 10.301 28.428 2.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.213 29.345 3.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.277 28.263 4.176 1.00 0.00 H new ATOM 1135 N ASP A 74 4.839 24.877 8.205 1.00 0.00 N ATOM 1136 CA ASP A 74 3.852 24.816 9.276 1.00 0.00 C ATOM 1137 C ASP A 74 3.200 26.172 9.497 1.00 0.00 C ATOM 1138 O ASP A 74 1.997 26.340 9.297 1.00 0.00 O ATOM 1139 CB ASP A 74 4.503 24.334 10.573 1.00 0.00 C ATOM 1140 CG ASP A 74 3.488 23.823 11.575 1.00 0.00 C ATOM 1141 OD1 ASP A 74 2.317 24.252 11.506 1.00 0.00 O ATOM 1142 OD2 ASP A 74 3.863 22.995 12.432 1.00 0.00 O ATOM 0 H ASP A 74 5.754 25.223 8.494 1.00 0.00 H new ATOM 0 HA ASP A 74 3.079 24.107 8.979 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.216 23.541 10.346 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.068 25.153 11.018 1.00 0.00 H new ATOM 1147 N ASN A 75 4.008 27.130 9.912 1.00 0.00 N ATOM 1148 CA ASN A 75 3.529 28.485 10.169 1.00 0.00 C ATOM 1149 C ASN A 75 4.670 29.401 10.590 1.00 0.00 C ATOM 1150 O ASN A 75 4.683 30.588 10.262 1.00 0.00 O ATOM 1151 CB ASN A 75 2.449 28.469 11.251 1.00 0.00 C ATOM 1152 CG ASN A 75 2.853 27.647 12.460 1.00 0.00 C ATOM 1153 OD1 ASN A 75 3.133 26.453 12.348 1.00 0.00 O ATOM 1154 ND2 ASN A 75 2.884 28.283 13.624 1.00 0.00 N ATOM 0 H ASN A 75 5.005 26.998 10.080 1.00 0.00 H new ATOM 0 HA ASN A 75 3.104 28.871 9.243 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.238 29.491 11.564 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.526 28.066 10.833 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.148 27.782 14.472 1.00 0.00 H new ATOM 0 HD22 ASN A 75 2.644 29.273 13.671 1.00 0.00 H new ATOM 1161 N GLU A 76 5.622 28.841 11.319 1.00 0.00 N ATOM 1162 CA GLU A 76 6.774 29.599 11.796 1.00 0.00 C ATOM 1163 C GLU A 76 7.937 29.509 10.812 1.00 0.00 C ATOM 1164 O GLU A 76 9.093 29.377 11.214 1.00 0.00 O ATOM 1165 CB GLU A 76 7.214 29.083 13.167 1.00 0.00 C ATOM 1166 CG GLU A 76 6.097 29.070 14.199 1.00 0.00 C ATOM 1167 CD GLU A 76 5.941 30.402 14.905 1.00 0.00 C ATOM 1168 OE1 GLU A 76 6.904 31.200 14.889 1.00 0.00 O ATOM 1169 OE2 GLU A 76 4.858 30.648 15.476 1.00 0.00 O ATOM 0 H GLU A 76 5.622 27.859 11.596 1.00 0.00 H new ATOM 0 HA GLU A 76 6.477 30.644 11.882 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.607 28.072 13.057 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.030 29.704 13.535 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.158 28.810 13.710 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.298 28.293 14.937 1.00 0.00 H new ATOM 1176 N GLY A 77 7.626 29.584 9.522 1.00 0.00 N ATOM 1177 CA GLY A 77 8.657 29.509 8.504 1.00 0.00 C ATOM 1178 C GLY A 77 9.444 28.212 8.559 1.00 0.00 C ATOM 1179 O GLY A 77 10.538 28.122 8.003 1.00 0.00 O ATOM 0 H GLY A 77 6.678 29.695 9.164 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.198 29.609 7.520 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.341 30.349 8.623 1.00 0.00 H new ATOM 1183 N ASN A 78 8.888 27.205 9.227 1.00 0.00 N ATOM 1184 CA ASN A 78 9.552 25.911 9.344 1.00 0.00 C ATOM 1185 C ASN A 78 9.138 24.984 8.206 1.00 0.00 C ATOM 1186 O ASN A 78 7.964 24.643 8.068 1.00 0.00 O ATOM 1187 CB ASN A 78 9.224 25.264 10.689 1.00 0.00 C ATOM 1188 CG ASN A 78 10.075 25.811 11.818 1.00 0.00 C ATOM 1189 OD1 ASN A 78 10.989 25.143 12.302 1.00 0.00 O ATOM 1190 ND2 ASN A 78 9.779 27.033 12.243 1.00 0.00 N ATOM 0 H ASN A 78 7.983 27.260 9.694 1.00 0.00 H new ATOM 0 HA ASN A 78 10.628 26.076 9.283 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.171 25.427 10.920 1.00 0.00 H new ATOM 0 HB3 ASN A 78 9.371 24.186 10.616 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.318 27.454 13.000 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.013 27.551 11.813 1.00 0.00 H new ATOM 1197 N GLU A 79 10.110 24.581 7.396 1.00 0.00 N ATOM 1198 CA GLU A 79 9.851 23.692 6.269 1.00 0.00 C ATOM 1199 C GLU A 79 9.926 22.232 6.702 1.00 0.00 C ATOM 1200 O GLU A 79 10.981 21.749 7.113 1.00 0.00 O ATOM 1201 CB GLU A 79 10.853 23.955 5.144 1.00 0.00 C ATOM 1202 CG GLU A 79 10.565 23.169 3.876 1.00 0.00 C ATOM 1203 CD GLU A 79 9.332 23.667 3.149 1.00 0.00 C ATOM 1204 OE1 GLU A 79 8.210 23.350 3.596 1.00 0.00 O ATOM 1205 OE2 GLU A 79 9.488 24.373 2.131 1.00 0.00 O ATOM 0 H GLU A 79 11.087 24.856 7.499 1.00 0.00 H new ATOM 0 HA GLU A 79 8.844 23.893 5.903 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.852 25.019 4.910 1.00 0.00 H new ATOM 0 HB3 GLU A 79 11.854 23.707 5.496 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.426 23.233 3.210 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.434 22.116 4.127 1.00 0.00 H new ATOM 1212 N VAL A 80 8.798 21.536 6.613 1.00 0.00 N ATOM 1213 CA VAL A 80 8.733 20.134 7.000 1.00 0.00 C ATOM 1214 C VAL A 80 8.513 19.229 5.796 1.00 0.00 C ATOM 1215 O VAL A 80 7.726 19.543 4.904 1.00 0.00 O ATOM 1216 CB VAL A 80 7.613 19.888 8.014 1.00 0.00 C ATOM 1217 CG1 VAL A 80 7.703 18.481 8.587 1.00 0.00 C ATOM 1218 CG2 VAL A 80 7.652 20.933 9.119 1.00 0.00 C ATOM 0 H VAL A 80 7.916 21.922 6.276 1.00 0.00 H new ATOM 0 HA VAL A 80 9.694 19.894 7.456 1.00 0.00 H new ATOM 0 HB VAL A 80 6.657 19.978 7.498 1.00 0.00 H new ATOM 0 HG11 VAL A 80 6.897 18.328 9.305 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.613 17.753 7.781 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.663 18.352 9.086 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.848 20.741 9.830 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.611 20.882 9.634 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.524 21.925 8.686 1.00 0.00 H new ATOM 1228 N VAL A 81 9.209 18.096 5.783 1.00 0.00 N ATOM 1229 CA VAL A 81 9.085 17.134 4.697 1.00 0.00 C ATOM 1230 C VAL A 81 8.094 16.034 5.069 1.00 0.00 C ATOM 1231 O VAL A 81 8.475 15.016 5.649 1.00 0.00 O ATOM 1232 CB VAL A 81 10.443 16.495 4.353 1.00 0.00 C ATOM 1233 CG1 VAL A 81 10.320 15.600 3.128 1.00 0.00 C ATOM 1234 CG2 VAL A 81 11.497 17.569 4.133 1.00 0.00 C ATOM 0 H VAL A 81 9.865 17.823 6.514 1.00 0.00 H new ATOM 0 HA VAL A 81 8.722 17.676 3.823 1.00 0.00 H new ATOM 0 HB VAL A 81 10.756 15.877 5.195 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.290 15.158 2.901 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.598 14.808 3.327 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.983 16.192 2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.450 17.099 3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 81 11.192 18.215 3.310 1.00 0.00 H new ATOM 0 HG23 VAL A 81 11.606 18.163 5.040 1.00 0.00 H new ATOM 1244 N PRO A 82 6.800 16.226 4.751 1.00 0.00 N ATOM 1245 CA PRO A 82 5.754 15.254 5.063 1.00 0.00 C ATOM 1246 C PRO A 82 6.156 13.823 4.718 1.00 0.00 C ATOM 1247 O PRO A 82 6.947 13.592 3.803 1.00 0.00 O ATOM 1248 CB PRO A 82 4.557 15.699 4.207 1.00 0.00 C ATOM 1249 CG PRO A 82 5.045 16.839 3.373 1.00 0.00 C ATOM 1250 CD PRO A 82 6.247 17.401 4.072 1.00 0.00 C ATOM 0 HA PRO A 82 5.539 15.236 6.131 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.201 14.882 3.580 1.00 0.00 H new ATOM 0 HB3 PRO A 82 3.721 16.006 4.836 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.304 16.501 2.369 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.270 17.598 3.264 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.958 17.835 3.369 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.975 18.186 4.777 1.00 0.00 H new ATOM 1258 N LYS A 83 5.602 12.870 5.460 1.00 0.00 N ATOM 1259 CA LYS A 83 5.892 11.454 5.246 1.00 0.00 C ATOM 1260 C LYS A 83 5.821 11.085 3.768 1.00 0.00 C ATOM 1261 O LYS A 83 5.327 11.853 2.943 1.00 0.00 O ATOM 1262 CB LYS A 83 4.916 10.588 6.047 1.00 0.00 C ATOM 1263 CG LYS A 83 4.764 11.025 7.494 1.00 0.00 C ATOM 1264 CD LYS A 83 4.541 9.835 8.414 1.00 0.00 C ATOM 1265 CE LYS A 83 4.708 10.221 9.875 1.00 0.00 C ATOM 1266 NZ LYS A 83 5.366 9.144 10.663 1.00 0.00 N ATOM 0 H LYS A 83 4.946 13.053 6.219 1.00 0.00 H new ATOM 0 HA LYS A 83 6.909 11.268 5.591 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.939 10.614 5.564 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.257 9.553 6.022 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.656 11.567 7.807 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.925 11.716 7.581 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.540 9.433 8.255 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.246 9.043 8.163 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.300 11.134 9.944 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.731 10.441 10.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.461 9.447 11.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 4.789 8.280 10.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.309 8.951 10.268 1.00 0.00 H new ATOM 1280 N PRO A 84 6.338 9.900 3.425 1.00 0.00 N ATOM 1281 CA PRO A 84 6.372 9.395 2.051 1.00 0.00 C ATOM 1282 C PRO A 84 5.016 8.867 1.595 1.00 0.00 C ATOM 1283 O PRO A 84 4.239 8.350 2.397 1.00 0.00 O ATOM 1284 CB PRO A 84 7.407 8.255 2.124 1.00 0.00 C ATOM 1285 CG PRO A 84 8.024 8.370 3.483 1.00 0.00 C ATOM 1286 CD PRO A 84 6.957 8.947 4.346 1.00 0.00 C ATOM 0 HA PRO A 84 6.625 10.173 1.330 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.932 7.283 1.988 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.158 8.355 1.341 1.00 0.00 H new ATOM 0 HG2 PRO A 84 8.347 7.397 3.853 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.905 9.012 3.463 1.00 0.00 H new ATOM 0 HD2 PRO A 84 6.252 8.191 4.692 1.00 0.00 H new ATOM 0 HD3 PRO A 84 7.362 9.434 5.233 1.00 0.00 H new ATOM 1294 N GLN A 85 4.739 8.999 0.300 1.00 0.00 N ATOM 1295 CA GLN A 85 3.474 8.535 -0.265 1.00 0.00 C ATOM 1296 C GLN A 85 3.186 7.096 0.151 1.00 0.00 C ATOM 1297 O GLN A 85 4.098 6.344 0.488 1.00 0.00 O ATOM 1298 CB GLN A 85 3.505 8.641 -1.791 1.00 0.00 C ATOM 1299 CG GLN A 85 4.762 8.059 -2.416 1.00 0.00 C ATOM 1300 CD GLN A 85 4.544 7.597 -3.844 1.00 0.00 C ATOM 1301 OE1 GLN A 85 4.578 8.396 -4.779 1.00 0.00 O ATOM 1302 NE2 GLN A 85 4.317 6.300 -4.018 1.00 0.00 N ATOM 0 H GLN A 85 5.373 9.423 -0.378 1.00 0.00 H new ATOM 0 HA GLN A 85 2.677 9.171 0.121 1.00 0.00 H new ATOM 0 HB2 GLN A 85 2.635 8.128 -2.200 1.00 0.00 H new ATOM 0 HB3 GLN A 85 3.420 9.690 -2.076 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.553 8.809 -2.398 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.106 7.218 -1.815 1.00 0.00 H new ATOM 0 HE21 GLN A 85 4.298 5.673 -3.214 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.162 5.931 -4.956 1.00 0.00 H new ATOM 1311 N ARG A 86 1.910 6.720 0.129 1.00 0.00 N ATOM 1312 CA ARG A 86 1.504 5.369 0.508 1.00 0.00 C ATOM 1313 C ARG A 86 0.188 4.992 -0.162 1.00 0.00 C ATOM 1314 O ARG A 86 -0.733 5.805 -0.239 1.00 0.00 O ATOM 1315 CB ARG A 86 1.355 5.258 2.030 1.00 0.00 C ATOM 1316 CG ARG A 86 2.294 6.162 2.815 1.00 0.00 C ATOM 1317 CD ARG A 86 2.127 5.977 4.314 1.00 0.00 C ATOM 1318 NE ARG A 86 2.043 7.255 5.018 1.00 0.00 N ATOM 1319 CZ ARG A 86 0.998 8.078 4.938 1.00 0.00 C ATOM 1320 NH1 ARG A 86 -0.050 7.760 4.190 1.00 0.00 N ATOM 1321 NH2 ARG A 86 1.004 9.221 5.610 1.00 0.00 N ATOM 0 H ARG A 86 1.141 7.330 -0.147 1.00 0.00 H new ATOM 0 HA ARG A 86 2.280 4.681 0.174 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.327 5.497 2.302 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.531 4.224 2.327 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.325 5.948 2.534 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.102 7.202 2.553 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.226 5.396 4.509 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.967 5.403 4.704 1.00 0.00 H new ATOM 0 HE ARG A 86 2.830 7.533 5.605 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.059 6.881 3.672 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.847 8.394 4.133 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.808 9.469 6.187 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.205 9.852 5.550 1.00 0.00 H new ATOM 1335 N HIS A 87 0.098 3.753 -0.637 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.116 3.279 -1.287 1.00 0.00 C ATOM 1337 C HIS A 87 -1.904 2.389 -0.335 1.00 0.00 C ATOM 1338 O HIS A 87 -1.470 1.288 0.000 1.00 0.00 O ATOM 1339 CB HIS A 87 -0.774 2.508 -2.566 1.00 0.00 C ATOM 1340 CG HIS A 87 0.435 3.029 -3.280 1.00 0.00 C ATOM 1341 ND1 HIS A 87 0.368 3.946 -4.307 1.00 0.00 N ATOM 1342 CD2 HIS A 87 1.749 2.758 -3.105 1.00 0.00 C ATOM 1343 CE1 HIS A 87 1.589 4.216 -4.734 1.00 0.00 C ATOM 1344 NE2 HIS A 87 2.445 3.507 -4.020 1.00 0.00 N ATOM 0 H HIS A 87 0.848 3.064 -0.584 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.726 4.141 -1.555 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.613 1.460 -2.315 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.628 2.546 -3.242 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.172 2.078 -2.380 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.844 4.899 -5.531 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.459 3.515 -4.131 1.00 0.00 H new ATOM 1353 N MET A 88 -3.059 2.876 0.106 1.00 0.00 N ATOM 1354 CA MET A 88 -3.899 2.126 1.032 1.00 0.00 C ATOM 1355 C MET A 88 -5.165 1.625 0.348 1.00 0.00 C ATOM 1356 O MET A 88 -5.861 2.384 -0.327 1.00 0.00 O ATOM 1357 CB MET A 88 -4.266 2.994 2.237 1.00 0.00 C ATOM 1358 CG MET A 88 -4.966 2.229 3.348 1.00 0.00 C ATOM 1359 SD MET A 88 -6.126 3.255 4.274 1.00 0.00 S ATOM 1360 CE MET A 88 -6.092 2.450 5.873 1.00 0.00 C ATOM 0 H MET A 88 -3.434 3.786 -0.163 1.00 0.00 H new ATOM 0 HA MET A 88 -3.331 1.261 1.373 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.359 3.449 2.636 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.911 3.807 1.905 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.499 1.381 2.919 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.220 1.824 4.031 1.00 0.00 H new ATOM 0 HE1 MET A 88 -6.734 2.992 6.567 1.00 0.00 H new ATOM 0 HE2 MET A 88 -6.450 1.425 5.772 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.071 2.442 6.255 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.459 0.345 0.536 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.643 -0.262 -0.054 1.00 0.00 C ATOM 1372 C PHE A 89 -7.419 -1.047 1.000 1.00 0.00 C ATOM 1373 O PHE A 89 -6.911 -2.014 1.564 1.00 0.00 O ATOM 1374 CB PHE A 89 -6.265 -1.186 -1.214 1.00 0.00 C ATOM 1375 CG PHE A 89 -5.150 -0.669 -2.081 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -3.873 -0.502 -1.570 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -5.378 -0.363 -3.413 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -2.848 -0.036 -2.369 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.356 0.101 -4.218 1.00 0.00 C ATOM 1380 CZ PHE A 89 -3.089 0.266 -3.695 1.00 0.00 C ATOM 0 H PHE A 89 -4.892 -0.293 1.094 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.274 0.539 -0.440 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.975 -2.156 -0.810 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.146 -1.349 -1.835 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.677 -0.739 -0.535 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -6.367 -0.489 -3.827 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.858 0.092 -1.957 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.548 0.334 -5.255 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.288 0.630 -4.321 1.00 0.00 H new ATOM 1390 N SER A 90 -8.649 -0.621 1.266 1.00 0.00 N ATOM 1391 CA SER A 90 -9.487 -1.286 2.258 1.00 0.00 C ATOM 1392 C SER A 90 -10.209 -2.484 1.656 1.00 0.00 C ATOM 1393 O SER A 90 -11.063 -2.333 0.783 1.00 0.00 O ATOM 1394 CB SER A 90 -10.514 -0.304 2.825 1.00 0.00 C ATOM 1395 OG SER A 90 -10.030 1.026 2.777 1.00 0.00 O ATOM 0 H SER A 90 -9.087 0.179 0.810 1.00 0.00 H new ATOM 0 HA SER A 90 -8.838 -1.640 3.059 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.442 -0.377 2.258 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.747 -0.572 3.855 1.00 0.00 H new ATOM 0 HG SER A 90 -9.572 1.238 3.617 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.867 -3.674 2.131 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.492 -4.896 1.639 1.00 0.00 C ATOM 1403 C PHE A 91 -11.716 -5.258 2.476 1.00 0.00 C ATOM 1404 O PHE A 91 -11.683 -5.186 3.704 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.487 -6.047 1.655 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.341 -5.846 0.708 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.448 -4.805 0.893 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -8.159 -6.697 -0.370 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -6.393 -4.616 0.022 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -7.107 -6.513 -1.245 1.00 0.00 C ATOM 1411 CZ PHE A 91 -6.222 -5.472 -1.049 1.00 0.00 C ATOM 0 H PHE A 91 -9.163 -3.820 2.854 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.817 -4.722 0.613 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.097 -6.166 2.666 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.002 -6.973 1.400 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.578 -4.133 1.728 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -8.848 -7.514 -0.528 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.703 -3.800 0.178 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.977 -7.183 -2.082 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.398 -5.327 -1.731 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.794 -5.648 1.803 1.00 0.00 N ATOM 1422 CA ASN A 92 -14.030 -6.024 2.483 1.00 0.00 C ATOM 1423 C ASN A 92 -14.079 -7.530 2.724 1.00 0.00 C ATOM 1424 O ASN A 92 -15.108 -8.172 2.514 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.243 -5.585 1.663 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.535 -4.104 1.807 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.697 -3.597 2.918 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.604 -3.402 0.682 1.00 0.00 N ATOM 0 H ASN A 92 -12.837 -5.712 0.786 1.00 0.00 H new ATOM 0 HA ASN A 92 -14.054 -5.518 3.448 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.071 -5.818 0.612 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -16.116 -6.157 1.977 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.798 -2.401 0.716 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -15.463 -3.864 -0.217 1.00 0.00 H new ATOM 1435 N ASN A 93 -12.954 -8.085 3.163 1.00 0.00 N ATOM 1436 CA ASN A 93 -12.849 -9.515 3.434 1.00 0.00 C ATOM 1437 C ASN A 93 -11.419 -9.876 3.808 1.00 0.00 C ATOM 1438 O ASN A 93 -10.508 -9.784 2.984 1.00 0.00 O ATOM 1439 CB ASN A 93 -13.296 -10.327 2.214 1.00 0.00 C ATOM 1440 CG ASN A 93 -14.602 -11.058 2.450 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.275 -10.843 3.459 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -14.967 -11.928 1.517 1.00 0.00 N ATOM 0 H ASN A 93 -12.096 -7.562 3.340 1.00 0.00 H new ATOM 0 HA ASN A 93 -13.504 -9.757 4.271 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -13.406 -9.661 1.359 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -12.520 -11.049 1.958 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -15.837 -12.451 1.620 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -14.378 -12.074 0.697 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.227 -10.286 5.056 1.00 0.00 N ATOM 1450 CA ARG A 94 -9.906 -10.660 5.540 1.00 0.00 C ATOM 1451 C ARG A 94 -9.294 -11.755 4.673 1.00 0.00 C ATOM 1452 O ARG A 94 -8.086 -11.977 4.706 1.00 0.00 O ATOM 1453 CB ARG A 94 -9.981 -11.124 6.997 1.00 0.00 C ATOM 1454 CG ARG A 94 -9.304 -10.173 7.973 1.00 0.00 C ATOM 1455 CD ARG A 94 -8.244 -10.878 8.806 1.00 0.00 C ATOM 1456 NE ARG A 94 -8.615 -10.952 10.217 1.00 0.00 N ATOM 1457 CZ ARG A 94 -9.472 -11.841 10.713 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -10.047 -12.735 9.919 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -9.754 -11.838 12.009 1.00 0.00 N ATOM 0 H ARG A 94 -11.970 -10.368 5.750 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.266 -9.779 5.482 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.027 -11.238 7.280 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -9.519 -12.108 7.081 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.846 -9.352 7.422 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.053 -9.735 8.633 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -8.089 -11.885 8.419 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -7.296 -10.350 8.708 1.00 0.00 H new ATOM 0 HE ARG A 94 -8.192 -10.283 10.860 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -9.833 -12.744 8.922 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -10.703 -13.414 10.306 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -9.314 -11.154 12.625 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -10.411 -12.519 12.390 1.00 0.00 H new ATOM 1473 N THR A 95 -10.127 -12.432 3.891 1.00 0.00 N ATOM 1474 CA THR A 95 -9.649 -13.490 3.017 1.00 0.00 C ATOM 1475 C THR A 95 -8.890 -12.895 1.839 1.00 0.00 C ATOM 1476 O THR A 95 -7.801 -13.349 1.490 1.00 0.00 O ATOM 1477 CB THR A 95 -10.826 -14.341 2.543 1.00 0.00 C ATOM 1478 OG1 THR A 95 -10.911 -15.540 3.291 1.00 0.00 O ATOM 1479 CG2 THR A 95 -10.764 -14.718 1.080 1.00 0.00 C ATOM 0 H THR A 95 -11.132 -12.266 3.846 1.00 0.00 H new ATOM 0 HA THR A 95 -8.962 -14.132 3.569 1.00 0.00 H new ATOM 0 HB THR A 95 -11.703 -13.712 2.694 1.00 0.00 H new ATOM 0 HG1 THR A 95 -11.672 -16.070 2.974 1.00 0.00 H new ATOM 0 HG21 THR A 95 -11.635 -15.321 0.822 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.756 -13.814 0.471 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.857 -15.291 0.890 1.00 0.00 H new ATOM 1487 N VAL A 96 -9.470 -11.863 1.246 1.00 0.00 N ATOM 1488 CA VAL A 96 -8.845 -11.184 0.118 1.00 0.00 C ATOM 1489 C VAL A 96 -7.565 -10.516 0.579 1.00 0.00 C ATOM 1490 O VAL A 96 -6.507 -10.673 -0.031 1.00 0.00 O ATOM 1491 CB VAL A 96 -9.763 -10.107 -0.502 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -9.599 -10.063 -2.013 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.215 -10.336 -0.117 1.00 0.00 C ATOM 0 H VAL A 96 -10.372 -11.476 1.526 1.00 0.00 H new ATOM 0 HA VAL A 96 -8.644 -11.939 -0.642 1.00 0.00 H new ATOM 0 HB VAL A 96 -9.463 -9.139 -0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.255 -9.298 -2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.564 -9.827 -2.260 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -9.860 -11.033 -2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -11.837 -9.563 -0.568 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -11.536 -11.314 -0.474 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.315 -10.295 0.968 1.00 0.00 H new ATOM 1503 N MET A 97 -7.674 -9.770 1.671 1.00 0.00 N ATOM 1504 CA MET A 97 -6.528 -9.074 2.232 1.00 0.00 C ATOM 1505 C MET A 97 -5.460 -10.066 2.679 1.00 0.00 C ATOM 1506 O MET A 97 -4.265 -9.811 2.530 1.00 0.00 O ATOM 1507 CB MET A 97 -6.965 -8.186 3.402 1.00 0.00 C ATOM 1508 CG MET A 97 -7.092 -8.912 4.731 1.00 0.00 C ATOM 1509 SD MET A 97 -5.587 -8.824 5.719 1.00 0.00 S ATOM 1510 CE MET A 97 -6.139 -7.780 7.064 1.00 0.00 C ATOM 0 H MET A 97 -8.545 -9.633 2.184 1.00 0.00 H new ATOM 0 HA MET A 97 -6.097 -8.439 1.458 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.247 -7.374 3.513 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.925 -7.731 3.158 1.00 0.00 H new ATOM 0 HG2 MET A 97 -7.919 -8.483 5.297 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.340 -9.957 4.547 1.00 0.00 H new ATOM 0 HE1 MET A 97 -5.641 -6.812 7.001 1.00 0.00 H new ATOM 0 HE2 MET A 97 -7.218 -7.638 6.996 1.00 0.00 H new ATOM 0 HE3 MET A 97 -5.895 -8.253 8.015 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.893 -11.203 3.218 1.00 0.00 N ATOM 1521 CA ASP A 98 -4.956 -12.225 3.671 1.00 0.00 C ATOM 1522 C ASP A 98 -4.331 -12.938 2.481 1.00 0.00 C ATOM 1523 O ASP A 98 -3.182 -13.377 2.536 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.649 -13.238 4.583 1.00 0.00 C ATOM 1525 CG ASP A 98 -5.826 -12.720 5.996 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -5.060 -11.819 6.398 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -6.730 -13.215 6.702 1.00 0.00 O ATOM 0 H ASP A 98 -6.877 -11.438 3.351 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.169 -11.731 4.241 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.625 -13.489 4.167 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.066 -14.159 4.607 1.00 0.00 H new ATOM 1532 N ASN A 99 -5.095 -13.036 1.403 1.00 0.00 N ATOM 1533 CA ASN A 99 -4.621 -13.683 0.186 1.00 0.00 C ATOM 1534 C ASN A 99 -3.741 -12.728 -0.612 1.00 0.00 C ATOM 1535 O ASN A 99 -2.850 -13.154 -1.346 1.00 0.00 O ATOM 1536 CB ASN A 99 -5.805 -14.144 -0.668 1.00 0.00 C ATOM 1537 CG ASN A 99 -6.235 -15.560 -0.342 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -5.616 -16.527 -0.785 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -7.303 -15.689 0.437 1.00 0.00 N ATOM 0 H ASN A 99 -6.047 -12.675 1.345 1.00 0.00 H new ATOM 0 HA ASN A 99 -4.030 -14.555 0.465 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.646 -13.467 -0.514 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.535 -14.083 -1.722 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -7.640 -16.618 0.690 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.786 -14.859 0.782 1.00 0.00 H new ATOM 1546 N ILE A 100 -3.996 -11.432 -0.456 1.00 0.00 N ATOM 1547 CA ILE A 100 -3.230 -10.408 -1.150 1.00 0.00 C ATOM 1548 C ILE A 100 -1.963 -10.065 -0.375 1.00 0.00 C ATOM 1549 O ILE A 100 -0.860 -10.092 -0.923 1.00 0.00 O ATOM 1550 CB ILE A 100 -4.067 -9.126 -1.353 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -5.160 -9.372 -2.401 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -3.178 -7.950 -1.751 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -4.789 -8.920 -3.798 1.00 0.00 C ATOM 0 H ILE A 100 -4.732 -11.067 0.149 1.00 0.00 H new ATOM 0 HA ILE A 100 -2.959 -10.810 -2.126 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.546 -8.870 -0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.393 -10.437 -2.425 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -6.068 -8.854 -2.092 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -3.792 -7.060 -1.888 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -2.444 -7.767 -0.967 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.663 -8.182 -2.683 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -5.614 -9.129 -4.479 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.586 -7.849 -3.792 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.900 -9.456 -4.130 1.00 0.00 H new ATOM 1565 N LYS A 101 -2.127 -9.739 0.904 1.00 0.00 N ATOM 1566 CA LYS A 101 -0.995 -9.386 1.753 1.00 0.00 C ATOM 1567 C LYS A 101 0.127 -10.415 1.617 1.00 0.00 C ATOM 1568 O LYS A 101 1.303 -10.092 1.780 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.441 -9.269 3.220 1.00 0.00 C ATOM 1570 CG LYS A 101 -1.493 -10.592 3.975 1.00 0.00 C ATOM 1571 CD LYS A 101 -1.376 -10.380 5.476 1.00 0.00 C ATOM 1572 CE LYS A 101 -2.519 -9.534 6.012 1.00 0.00 C ATOM 1573 NZ LYS A 101 -2.122 -8.768 7.225 1.00 0.00 N ATOM 0 H LYS A 101 -3.032 -9.712 1.374 1.00 0.00 H new ATOM 0 HA LYS A 101 -0.612 -8.419 1.427 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.760 -8.595 3.740 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.429 -8.810 3.250 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.429 -11.104 3.750 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.685 -11.239 3.634 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.370 -11.346 5.981 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.426 -9.895 5.703 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.852 -8.842 5.239 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.366 -10.177 6.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -2.640 -7.867 7.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -2.348 -9.323 8.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.100 -8.579 7.197 1.00 0.00 H new ATOM 1587 N MET A 102 -0.250 -11.655 1.312 1.00 0.00 N ATOM 1588 CA MET A 102 0.719 -12.729 1.150 1.00 0.00 C ATOM 1589 C MET A 102 1.393 -12.624 -0.211 1.00 0.00 C ATOM 1590 O MET A 102 2.599 -12.835 -0.338 1.00 0.00 O ATOM 1591 CB MET A 102 0.042 -14.098 1.323 1.00 0.00 C ATOM 1592 CG MET A 102 -0.491 -14.707 0.031 1.00 0.00 C ATOM 1593 SD MET A 102 -1.787 -15.936 0.303 1.00 0.00 S ATOM 1594 CE MET A 102 -1.363 -16.554 1.930 1.00 0.00 C ATOM 0 H MET A 102 -1.220 -11.938 1.173 1.00 0.00 H new ATOM 0 HA MET A 102 1.483 -12.632 1.922 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.758 -14.790 1.768 1.00 0.00 H new ATOM 0 HB3 MET A 102 -0.782 -13.995 2.029 1.00 0.00 H new ATOM 0 HG2 MET A 102 -0.881 -13.911 -0.604 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.333 -15.172 -0.511 1.00 0.00 H new ATOM 0 HE1 MET A 102 -1.885 -17.494 2.109 1.00 0.00 H new ATOM 0 HE2 MET A 102 -0.287 -16.719 1.987 1.00 0.00 H new ATOM 0 HE3 MET A 102 -1.659 -15.825 2.685 1.00 0.00 H new ATOM 1604 N THR A 103 0.605 -12.284 -1.227 1.00 0.00 N ATOM 1605 CA THR A 103 1.115 -12.139 -2.570 1.00 0.00 C ATOM 1606 C THR A 103 2.204 -11.082 -2.614 1.00 0.00 C ATOM 1607 O THR A 103 3.351 -11.370 -2.953 1.00 0.00 O ATOM 1608 CB THR A 103 -0.020 -11.746 -3.503 1.00 0.00 C ATOM 1609 OG1 THR A 103 -1.273 -12.104 -2.948 1.00 0.00 O ATOM 1610 CG2 THR A 103 0.077 -12.383 -4.860 1.00 0.00 C ATOM 0 H THR A 103 -0.395 -12.105 -1.135 1.00 0.00 H new ATOM 0 HA THR A 103 1.541 -13.090 -2.890 1.00 0.00 H new ATOM 0 HB THR A 103 0.065 -10.666 -3.621 1.00 0.00 H new ATOM 0 HG1 THR A 103 -1.972 -12.005 -3.628 1.00 0.00 H new ATOM 0 HG21 THR A 103 -0.763 -12.060 -5.474 1.00 0.00 H new ATOM 0 HG22 THR A 103 1.011 -12.084 -5.336 1.00 0.00 H new ATOM 0 HG23 THR A 103 0.054 -13.468 -4.755 1.00 0.00 H new ATOM 1618 N LEU A 104 1.835 -9.857 -2.256 1.00 0.00 N ATOM 1619 CA LEU A 104 2.781 -8.752 -2.240 1.00 0.00 C ATOM 1620 C LEU A 104 4.065 -9.185 -1.545 1.00 0.00 C ATOM 1621 O LEU A 104 5.152 -9.118 -2.118 1.00 0.00 O ATOM 1622 CB LEU A 104 2.185 -7.538 -1.519 1.00 0.00 C ATOM 1623 CG LEU A 104 0.755 -7.164 -1.926 1.00 0.00 C ATOM 1624 CD1 LEU A 104 0.073 -6.383 -0.814 1.00 0.00 C ATOM 1625 CD2 LEU A 104 0.759 -6.355 -3.212 1.00 0.00 C ATOM 0 H LEU A 104 0.888 -9.606 -1.973 1.00 0.00 H new ATOM 0 HA LEU A 104 3.001 -8.469 -3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.200 -7.731 -0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.831 -6.678 -1.697 1.00 0.00 H new ATOM 0 HG LEU A 104 0.197 -8.084 -2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.941 -6.125 -1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.036 -6.992 0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.634 -5.470 -0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -0.265 -6.099 -3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.334 -5.441 -3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.211 -6.944 -4.011 1.00 0.00 H new ATOM 1637 N GLN A 105 3.917 -9.652 -0.309 1.00 0.00 N ATOM 1638 CA GLN A 105 5.047 -10.118 0.482 1.00 0.00 C ATOM 1639 C GLN A 105 5.822 -11.209 -0.257 1.00 0.00 C ATOM 1640 O GLN A 105 7.051 -11.183 -0.303 1.00 0.00 O ATOM 1641 CB GLN A 105 4.557 -10.659 1.826 1.00 0.00 C ATOM 1642 CG GLN A 105 5.026 -9.847 3.019 1.00 0.00 C ATOM 1643 CD GLN A 105 4.006 -9.827 4.138 1.00 0.00 C ATOM 1644 OE1 GLN A 105 4.315 -10.157 5.283 1.00 0.00 O ATOM 1645 NE2 GLN A 105 2.777 -9.450 3.805 1.00 0.00 N ATOM 0 H GLN A 105 3.018 -9.717 0.168 1.00 0.00 H new ATOM 0 HA GLN A 105 5.714 -9.272 0.649 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.467 -10.685 1.821 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.900 -11.687 1.940 1.00 0.00 H new ATOM 0 HG2 GLN A 105 5.963 -10.261 3.392 1.00 0.00 H new ATOM 0 HG3 GLN A 105 5.233 -8.825 2.701 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.568 -9.185 2.842 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.042 -9.425 4.512 1.00 0.00 H new ATOM 1654 N GLN A 106 5.095 -12.172 -0.831 1.00 0.00 N ATOM 1655 CA GLN A 106 5.726 -13.270 -1.560 1.00 0.00 C ATOM 1656 C GLN A 106 6.701 -12.732 -2.599 1.00 0.00 C ATOM 1657 O GLN A 106 7.751 -13.322 -2.853 1.00 0.00 O ATOM 1658 CB GLN A 106 4.665 -14.138 -2.239 1.00 0.00 C ATOM 1659 CG GLN A 106 4.166 -15.280 -1.371 1.00 0.00 C ATOM 1660 CD GLN A 106 3.566 -16.411 -2.183 1.00 0.00 C ATOM 1661 OE1 GLN A 106 4.156 -17.484 -2.306 1.00 0.00 O ATOM 1662 NE2 GLN A 106 2.385 -16.175 -2.742 1.00 0.00 N ATOM 0 H GLN A 106 4.076 -12.212 -0.804 1.00 0.00 H new ATOM 0 HA GLN A 106 6.278 -13.881 -0.846 1.00 0.00 H new ATOM 0 HB2 GLN A 106 3.819 -13.510 -2.520 1.00 0.00 H new ATOM 0 HB3 GLN A 106 5.078 -14.547 -3.161 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.992 -15.665 -0.774 1.00 0.00 H new ATOM 0 HG3 GLN A 106 3.418 -14.902 -0.674 1.00 0.00 H new ATOM 0 HE21 GLN A 106 1.932 -15.270 -2.614 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.931 -16.898 -3.300 1.00 0.00 H new ATOM 1671 N ILE A 107 6.342 -11.600 -3.187 1.00 0.00 N ATOM 1672 CA ILE A 107 7.171 -10.955 -4.193 1.00 0.00 C ATOM 1673 C ILE A 107 8.210 -10.055 -3.537 1.00 0.00 C ATOM 1674 O ILE A 107 9.400 -10.145 -3.827 1.00 0.00 O ATOM 1675 CB ILE A 107 6.314 -10.127 -5.163 1.00 0.00 C ATOM 1676 CG1 ILE A 107 5.067 -10.910 -5.586 1.00 0.00 C ATOM 1677 CG2 ILE A 107 7.141 -9.748 -6.371 1.00 0.00 C ATOM 1678 CD1 ILE A 107 3.992 -10.045 -6.206 1.00 0.00 C ATOM 0 H ILE A 107 5.474 -11.106 -2.982 1.00 0.00 H new ATOM 0 HA ILE A 107 7.680 -11.739 -4.754 1.00 0.00 H new ATOM 0 HB ILE A 107 5.984 -9.219 -4.659 1.00 0.00 H new ATOM 0 HG12 ILE A 107 5.357 -11.682 -6.299 1.00 0.00 H new ATOM 0 HG13 ILE A 107 4.655 -11.419 -4.715 1.00 0.00 H new ATOM 0 HG21 ILE A 107 6.533 -9.161 -7.059 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.001 -9.158 -6.053 1.00 0.00 H new ATOM 0 HG23 ILE A 107 7.487 -10.652 -6.873 1.00 0.00 H new ATOM 0 HD11 ILE A 107 3.139 -10.666 -6.481 1.00 0.00 H new ATOM 0 HD12 ILE A 107 3.674 -9.289 -5.488 1.00 0.00 H new ATOM 0 HD13 ILE A 107 4.387 -9.556 -7.096 1.00 0.00 H new ATOM 1690 N ILE A 108 7.745 -9.190 -2.646 1.00 0.00 N ATOM 1691 CA ILE A 108 8.625 -8.265 -1.928 1.00 0.00 C ATOM 1692 C ILE A 108 9.903 -8.948 -1.475 1.00 0.00 C ATOM 1693 O ILE A 108 11.005 -8.521 -1.812 1.00 0.00 O ATOM 1694 CB ILE A 108 7.934 -7.668 -0.686 1.00 0.00 C ATOM 1695 CG1 ILE A 108 6.554 -7.106 -1.061 1.00 0.00 C ATOM 1696 CG2 ILE A 108 8.824 -6.607 -0.046 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.313 -5.672 -0.634 1.00 0.00 C ATOM 0 H ILE A 108 6.759 -9.106 -2.399 1.00 0.00 H new ATOM 0 HA ILE A 108 8.863 -7.468 -2.633 1.00 0.00 H new ATOM 0 HB ILE A 108 7.778 -8.456 0.051 1.00 0.00 H new ATOM 0 HG12 ILE A 108 6.432 -7.174 -2.142 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.787 -7.737 -0.613 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.324 -6.193 0.830 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.769 -7.058 0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 108 9.015 -5.810 -0.765 1.00 0.00 H new ATOM 0 HD11 ILE A 108 5.314 -5.364 -0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.398 -5.596 0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 108 7.053 -5.024 -1.103 1.00 0.00 H new ATOM 1709 N SER A 109 9.740 -10.010 -0.709 1.00 0.00 N ATOM 1710 CA SER A 109 10.876 -10.771 -0.194 1.00 0.00 C ATOM 1711 C SER A 109 11.890 -11.063 -1.294 1.00 0.00 C ATOM 1712 O SER A 109 13.085 -11.201 -1.033 1.00 0.00 O ATOM 1713 CB SER A 109 10.397 -12.078 0.439 1.00 0.00 C ATOM 1714 OG SER A 109 9.215 -12.546 -0.189 1.00 0.00 O ATOM 0 H SER A 109 8.829 -10.371 -0.425 1.00 0.00 H new ATOM 0 HA SER A 109 11.367 -10.165 0.567 1.00 0.00 H new ATOM 0 HB2 SER A 109 11.179 -12.833 0.358 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.211 -11.924 1.502 1.00 0.00 H new ATOM 0 HG SER A 109 8.439 -12.075 0.181 1.00 0.00 H new ATOM 1720 N ARG A 110 11.404 -11.152 -2.524 1.00 0.00 N ATOM 1721 CA ARG A 110 12.262 -11.424 -3.668 1.00 0.00 C ATOM 1722 C ARG A 110 13.122 -10.212 -4.016 1.00 0.00 C ATOM 1723 O ARG A 110 14.191 -10.353 -4.603 1.00 0.00 O ATOM 1724 CB ARG A 110 11.428 -11.852 -4.879 1.00 0.00 C ATOM 1725 CG ARG A 110 11.688 -13.283 -5.314 1.00 0.00 C ATOM 1726 CD ARG A 110 11.227 -13.524 -6.743 1.00 0.00 C ATOM 1727 NE ARG A 110 11.309 -14.935 -7.113 1.00 0.00 N ATOM 1728 CZ ARG A 110 10.670 -15.466 -8.153 1.00 0.00 C ATOM 1729 NH1 ARG A 110 9.900 -14.709 -8.926 1.00 0.00 N ATOM 1730 NH2 ARG A 110 10.798 -16.758 -8.420 1.00 0.00 N ATOM 0 H ARG A 110 10.417 -11.039 -2.755 1.00 0.00 H new ATOM 0 HA ARG A 110 12.928 -12.243 -3.396 1.00 0.00 H new ATOM 0 HB2 ARG A 110 10.370 -11.739 -4.641 1.00 0.00 H new ATOM 0 HB3 ARG A 110 11.641 -11.182 -5.712 1.00 0.00 H new ATOM 0 HG2 ARG A 110 12.753 -13.501 -5.232 1.00 0.00 H new ATOM 0 HG3 ARG A 110 11.170 -13.968 -4.643 1.00 0.00 H new ATOM 0 HD2 ARG A 110 10.199 -13.179 -6.856 1.00 0.00 H new ATOM 0 HD3 ARG A 110 11.838 -12.934 -7.426 1.00 0.00 H new ATOM 0 HE ARG A 110 11.889 -15.549 -6.541 1.00 0.00 H new ATOM 0 HH11 ARG A 110 9.796 -13.715 -8.724 1.00 0.00 H new ATOM 0 HH12 ARG A 110 9.413 -15.122 -9.721 1.00 0.00 H new ATOM 0 HH21 ARG A 110 11.386 -17.345 -7.829 1.00 0.00 H new ATOM 0 HH22 ARG A 110 10.308 -17.165 -9.217 1.00 0.00 H new ATOM 1744 N TYR A 111 12.656 -9.024 -3.647 1.00 0.00 N ATOM 1745 CA TYR A 111 13.398 -7.799 -3.924 1.00 0.00 C ATOM 1746 C TYR A 111 14.580 -7.700 -2.977 1.00 0.00 C ATOM 1747 O TYR A 111 15.659 -7.242 -3.351 1.00 0.00 O ATOM 1748 CB TYR A 111 12.522 -6.547 -3.767 1.00 0.00 C ATOM 1749 CG TYR A 111 11.075 -6.698 -4.199 1.00 0.00 C ATOM 1750 CD1 TYR A 111 10.647 -7.771 -4.976 1.00 0.00 C ATOM 1751 CD2 TYR A 111 10.130 -5.750 -3.819 1.00 0.00 C ATOM 1752 CE1 TYR A 111 9.329 -7.890 -5.356 1.00 0.00 C ATOM 1753 CE2 TYR A 111 8.806 -5.865 -4.198 1.00 0.00 C ATOM 1754 CZ TYR A 111 8.412 -6.937 -4.964 1.00 0.00 C ATOM 1755 OH TYR A 111 7.095 -7.055 -5.340 1.00 0.00 O ATOM 0 H TYR A 111 11.772 -8.883 -3.158 1.00 0.00 H new ATOM 0 HA TYR A 111 13.737 -7.845 -4.959 1.00 0.00 H new ATOM 0 HB2 TYR A 111 12.540 -6.243 -2.721 1.00 0.00 H new ATOM 0 HB3 TYR A 111 12.971 -5.737 -4.342 1.00 0.00 H new ATOM 0 HD1 TYR A 111 11.360 -8.521 -5.285 1.00 0.00 H new ATOM 0 HD2 TYR A 111 10.437 -4.908 -3.216 1.00 0.00 H new ATOM 0 HE1 TYR A 111 9.014 -8.728 -5.960 1.00 0.00 H new ATOM 0 HE2 TYR A 111 8.086 -5.119 -3.895 1.00 0.00 H new ATOM 0 HH TYR A 111 6.541 -7.208 -4.546 1.00 0.00 H new ATOM 1765 N LYS A 112 14.366 -8.154 -1.749 1.00 0.00 N ATOM 1766 CA LYS A 112 15.407 -8.145 -0.737 1.00 0.00 C ATOM 1767 C LYS A 112 16.266 -9.363 -0.947 1.00 0.00 C ATOM 1768 O LYS A 112 17.496 -9.306 -0.921 1.00 0.00 O ATOM 1769 CB LYS A 112 14.841 -8.152 0.688 1.00 0.00 C ATOM 1770 CG LYS A 112 13.359 -8.425 0.747 1.00 0.00 C ATOM 1771 CD LYS A 112 12.591 -7.281 0.130 1.00 0.00 C ATOM 1772 CE LYS A 112 12.663 -6.040 0.987 1.00 0.00 C ATOM 1773 NZ LYS A 112 11.382 -5.281 0.984 1.00 0.00 N ATOM 0 H LYS A 112 13.475 -8.535 -1.431 1.00 0.00 H new ATOM 0 HA LYS A 112 15.984 -7.226 -0.841 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.365 -8.907 1.274 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.043 -7.188 1.155 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.132 -9.351 0.219 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.049 -8.564 1.783 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.992 -7.064 -0.860 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.549 -7.572 -0.005 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.915 -6.321 2.010 1.00 0.00 H new ATOM 0 HE3 LYS A 112 13.466 -5.397 0.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 11.550 -4.315 1.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.005 -5.239 0.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 10.695 -5.757 1.602 1.00 0.00 H new ATOM 1787 N ASP A 113 15.581 -10.466 -1.194 1.00 0.00 N ATOM 1788 CA ASP A 113 16.241 -11.731 -1.460 1.00 0.00 C ATOM 1789 C ASP A 113 17.101 -11.586 -2.704 1.00 0.00 C ATOM 1790 O ASP A 113 18.144 -12.226 -2.836 1.00 0.00 O ATOM 1791 CB ASP A 113 15.217 -12.851 -1.649 1.00 0.00 C ATOM 1792 CG ASP A 113 15.868 -14.214 -1.778 1.00 0.00 C ATOM 1793 OD1 ASP A 113 16.692 -14.393 -2.699 1.00 0.00 O ATOM 1794 OD2 ASP A 113 15.554 -15.102 -0.958 1.00 0.00 O ATOM 0 H ASP A 113 14.562 -10.510 -1.216 1.00 0.00 H new ATOM 0 HA ASP A 113 16.868 -11.994 -0.608 1.00 0.00 H new ATOM 0 HB2 ASP A 113 14.530 -12.858 -0.803 1.00 0.00 H new ATOM 0 HB3 ASP A 113 14.623 -12.650 -2.540 1.00 0.00 H new ATOM 1799 N ALA A 114 16.658 -10.715 -3.606 1.00 0.00 N ATOM 1800 CA ALA A 114 17.388 -10.451 -4.831 1.00 0.00 C ATOM 1801 C ALA A 114 18.355 -9.288 -4.639 1.00 0.00 C ATOM 1802 O ALA A 114 19.321 -9.144 -5.389 1.00 0.00 O ATOM 1803 CB ALA A 114 16.432 -10.164 -5.979 1.00 0.00 C ATOM 0 H ALA A 114 15.794 -10.181 -3.507 1.00 0.00 H new ATOM 0 HA ALA A 114 17.964 -11.342 -5.081 1.00 0.00 H new ATOM 0 HB1 ALA A 114 17.002 -9.969 -6.887 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.783 -11.025 -6.136 1.00 0.00 H new ATOM 0 HB3 ALA A 114 15.825 -9.292 -5.737 1.00 0.00 H new ATOM 1809 N ASP A 115 18.093 -8.462 -3.628 1.00 0.00 N ATOM 1810 CA ASP A 115 18.952 -7.316 -3.343 1.00 0.00 C ATOM 1811 C ASP A 115 20.096 -7.712 -2.415 1.00 0.00 C ATOM 1812 O ASP A 115 20.351 -8.926 -2.277 1.00 0.00 O ATOM 1813 CB ASP A 115 18.142 -6.181 -2.715 1.00 0.00 C ATOM 1814 CG ASP A 115 17.509 -5.277 -3.755 1.00 0.00 C ATOM 1815 OD1 ASP A 115 18.023 -5.228 -4.891 1.00 0.00 O ATOM 1816 OD2 ASP A 115 16.497 -4.619 -3.432 1.00 0.00 O ATOM 0 H ASP A 115 17.298 -8.564 -2.997 1.00 0.00 H new ATOM 0 HA ASP A 115 19.373 -6.970 -4.287 1.00 0.00 H new ATOM 0 HB2 ASP A 115 17.362 -6.603 -2.081 1.00 0.00 H new ATOM 0 HB3 ASP A 115 18.791 -5.589 -2.070 1.00 0.00 H new TER 1821 ASP A 115 ATOM 1822 N ASP B 661 -15.036 12.912 7.539 1.00 0.00 N ATOM 1823 CA ASP B 661 -15.020 12.333 8.908 1.00 0.00 C ATOM 1824 C ASP B 661 -14.084 11.130 8.987 1.00 0.00 C ATOM 1825 O ASP B 661 -14.405 10.121 9.614 1.00 0.00 O ATOM 1826 CB ASP B 661 -16.445 11.918 9.278 1.00 0.00 C ATOM 1827 CG ASP B 661 -17.050 10.963 8.268 1.00 0.00 C ATOM 1828 OD1 ASP B 661 -17.564 11.441 7.233 1.00 0.00 O ATOM 1829 OD2 ASP B 661 -17.011 9.739 8.511 1.00 0.00 O ATOM 0 HA ASP B 661 -14.652 13.082 9.609 1.00 0.00 H new ATOM 0 HB2 ASP B 661 -16.440 11.447 10.261 1.00 0.00 H new ATOM 0 HB3 ASP B 661 -17.071 12.807 9.354 1.00 0.00 H new ATOM 1834 N LEU B 662 -12.926 11.246 8.347 1.00 0.00 N ATOM 1835 CA LEU B 662 -11.942 10.170 8.345 1.00 0.00 C ATOM 1836 C LEU B 662 -10.867 10.413 9.399 1.00 0.00 C ATOM 1837 O LEU B 662 -10.478 9.499 10.126 1.00 0.00 O ATOM 1838 CB LEU B 662 -11.300 10.041 6.963 1.00 0.00 C ATOM 1839 CG LEU B 662 -12.045 9.132 5.984 1.00 0.00 C ATOM 1840 CD1 LEU B 662 -13.088 9.923 5.210 1.00 0.00 C ATOM 1841 CD2 LEU B 662 -11.068 8.460 5.032 1.00 0.00 C ATOM 0 H LEU B 662 -12.645 12.075 7.823 1.00 0.00 H new ATOM 0 HA LEU B 662 -12.457 9.240 8.587 1.00 0.00 H new ATOM 0 HB2 LEU B 662 -11.220 11.035 6.523 1.00 0.00 H new ATOM 0 HB3 LEU B 662 -10.285 9.663 7.085 1.00 0.00 H new ATOM 0 HG LEU B 662 -12.556 8.357 6.555 1.00 0.00 H new ATOM 0 HD11 LEU B 662 -13.608 9.260 4.518 1.00 0.00 H new ATOM 0 HD12 LEU B 662 -13.806 10.357 5.906 1.00 0.00 H new ATOM 0 HD13 LEU B 662 -12.599 10.720 4.650 1.00 0.00 H new ATOM 0 HD21 LEU B 662 -11.615 7.817 4.343 1.00 0.00 H new ATOM 0 HD22 LEU B 662 -10.528 9.221 4.468 1.00 0.00 H new ATOM 0 HD23 LEU B 662 -10.359 7.860 5.602 1.00 0.00 H new ATOM 1853 N GLU B 663 -10.390 11.651 9.475 1.00 0.00 N ATOM 1854 CA GLU B 663 -9.359 12.015 10.440 1.00 0.00 C ATOM 1855 C GLU B 663 -8.087 11.206 10.208 1.00 0.00 C ATOM 1856 O GLU B 663 -7.527 10.627 11.140 1.00 0.00 O ATOM 1857 CB GLU B 663 -9.867 11.795 11.867 1.00 0.00 C ATOM 1858 CG GLU B 663 -10.620 12.988 12.434 1.00 0.00 C ATOM 1859 CD GLU B 663 -10.359 13.192 13.913 1.00 0.00 C ATOM 1860 OE1 GLU B 663 -11.074 12.575 14.732 1.00 0.00 O ATOM 1861 OE2 GLU B 663 -9.440 13.966 14.254 1.00 0.00 O ATOM 0 H GLU B 663 -10.701 12.419 8.880 1.00 0.00 H new ATOM 0 HA GLU B 663 -9.125 13.071 10.305 1.00 0.00 H new ATOM 0 HB2 GLU B 663 -10.521 10.923 11.881 1.00 0.00 H new ATOM 0 HB3 GLU B 663 -9.020 11.569 12.515 1.00 0.00 H new ATOM 0 HG2 GLU B 663 -10.331 13.887 11.890 1.00 0.00 H new ATOM 0 HG3 GLU B 663 -11.689 12.848 12.273 1.00 0.00 H new ATOM 1868 N VAL B 664 -7.636 11.168 8.954 1.00 0.00 N ATOM 1869 CA VAL B 664 -6.428 10.433 8.582 1.00 0.00 C ATOM 1870 C VAL B 664 -6.382 9.057 9.247 1.00 0.00 C ATOM 1871 O VAL B 664 -5.327 8.604 9.691 1.00 0.00 O ATOM 1872 CB VAL B 664 -5.152 11.222 8.945 1.00 0.00 C ATOM 1873 CG1 VAL B 664 -5.033 11.402 10.451 1.00 0.00 C ATOM 1874 CG2 VAL B 664 -3.919 10.531 8.384 1.00 0.00 C ATOM 0 H VAL B 664 -8.093 11.641 8.174 1.00 0.00 H new ATOM 0 HA VAL B 664 -6.464 10.300 7.501 1.00 0.00 H new ATOM 0 HB VAL B 664 -5.225 12.212 8.494 1.00 0.00 H new ATOM 0 HG11 VAL B 664 -4.126 11.961 10.680 1.00 0.00 H new ATOM 0 HG12 VAL B 664 -5.900 11.949 10.822 1.00 0.00 H new ATOM 0 HG13 VAL B 664 -4.988 10.425 10.932 1.00 0.00 H new ATOM 0 HG21 VAL B 664 -3.029 11.102 8.650 1.00 0.00 H new ATOM 0 HG22 VAL B 664 -3.844 9.527 8.800 1.00 0.00 H new ATOM 0 HG23 VAL B 664 -3.999 10.469 7.299 1.00 0.00 H new ATOM 1884 N LEU B 665 -7.534 8.399 9.311 1.00 0.00 N ATOM 1885 CA LEU B 665 -7.627 7.077 9.920 1.00 0.00 C ATOM 1886 C LEU B 665 -7.070 6.008 8.985 1.00 0.00 C ATOM 1887 O LEU B 665 -7.679 5.682 7.966 1.00 0.00 O ATOM 1888 CB LEU B 665 -9.083 6.758 10.278 1.00 0.00 C ATOM 1889 CG LEU B 665 -9.353 5.322 10.746 1.00 0.00 C ATOM 1890 CD1 LEU B 665 -9.512 4.393 9.552 1.00 0.00 C ATOM 1891 CD2 LEU B 665 -8.240 4.832 11.661 1.00 0.00 C ATOM 0 H LEU B 665 -8.417 8.759 8.949 1.00 0.00 H new ATOM 0 HA LEU B 665 -7.031 7.080 10.832 1.00 0.00 H new ATOM 0 HB2 LEU B 665 -9.403 7.443 11.063 1.00 0.00 H new ATOM 0 HB3 LEU B 665 -9.705 6.960 9.406 1.00 0.00 H new ATOM 0 HG LEU B 665 -10.284 5.318 11.313 1.00 0.00 H new ATOM 0 HD11 LEU B 665 -9.703 3.379 9.903 1.00 0.00 H new ATOM 0 HD12 LEU B 665 -10.349 4.728 8.939 1.00 0.00 H new ATOM 0 HD13 LEU B 665 -8.599 4.405 8.957 1.00 0.00 H new ATOM 0 HD21 LEU B 665 -8.454 3.812 11.980 1.00 0.00 H new ATOM 0 HD22 LEU B 665 -7.292 4.853 11.124 1.00 0.00 H new ATOM 0 HD23 LEU B 665 -8.176 5.480 12.535 1.00 0.00 H new ATOM 1903 N SER B 666 -5.910 5.464 9.340 1.00 0.00 N ATOM 1904 CA SER B 666 -5.273 4.429 8.534 1.00 0.00 C ATOM 1905 C SER B 666 -3.973 3.963 9.173 1.00 0.00 C ATOM 1906 O SER B 666 -3.650 2.776 9.161 1.00 0.00 O ATOM 1907 CB SER B 666 -5.003 4.945 7.119 1.00 0.00 C ATOM 1908 OG SER B 666 -4.389 6.222 7.150 1.00 0.00 O ATOM 0 H SER B 666 -5.393 5.723 10.180 1.00 0.00 H new ATOM 0 HA SER B 666 -5.954 3.580 8.479 1.00 0.00 H new ATOM 0 HB2 SER B 666 -4.361 4.242 6.589 1.00 0.00 H new ATOM 0 HB3 SER B 666 -5.940 5.002 6.564 1.00 0.00 H new ATOM 0 HG SER B 666 -4.225 6.529 6.234 1.00 0.00 H new ATOM 1914 N GLU B 667 -3.233 4.908 9.728 1.00 0.00 N ATOM 1915 CA GLU B 667 -1.961 4.609 10.378 1.00 0.00 C ATOM 1916 C GLU B 667 -2.130 4.403 11.876 1.00 0.00 C ATOM 1917 O GLU B 667 -1.173 4.499 12.643 1.00 0.00 O ATOM 1918 CB GLU B 667 -0.940 5.714 10.104 1.00 0.00 C ATOM 1919 CG GLU B 667 0.500 5.276 10.312 1.00 0.00 C ATOM 1920 CD GLU B 667 1.499 6.300 9.810 1.00 0.00 C ATOM 1921 OE1 GLU B 667 1.782 6.307 8.594 1.00 0.00 O ATOM 1922 OE2 GLU B 667 1.999 7.095 10.633 1.00 0.00 O ATOM 0 H GLU B 667 -3.490 5.895 9.743 1.00 0.00 H new ATOM 0 HA GLU B 667 -1.590 3.676 9.954 1.00 0.00 H new ATOM 0 HB2 GLU B 667 -1.061 6.062 9.078 1.00 0.00 H new ATOM 0 HB3 GLU B 667 -1.151 6.562 10.756 1.00 0.00 H new ATOM 0 HG2 GLU B 667 0.672 5.096 11.373 1.00 0.00 H new ATOM 0 HG3 GLU B 667 0.666 4.329 9.798 1.00 0.00 H new ATOM 1929 N GLU B 668 -3.356 4.128 12.281 1.00 0.00 N ATOM 1930 CA GLU B 668 -3.669 3.916 13.689 1.00 0.00 C ATOM 1931 C GLU B 668 -3.816 2.434 14.013 1.00 0.00 C ATOM 1932 O GLU B 668 -3.442 1.984 15.095 1.00 0.00 O ATOM 1933 CB GLU B 668 -4.950 4.661 14.066 1.00 0.00 C ATOM 1934 CG GLU B 668 -4.752 6.158 14.247 1.00 0.00 C ATOM 1935 CD GLU B 668 -6.036 6.875 14.617 1.00 0.00 C ATOM 1936 OE1 GLU B 668 -6.743 6.394 15.528 1.00 0.00 O ATOM 1937 OE2 GLU B 668 -6.334 7.916 13.995 1.00 0.00 O ATOM 0 H GLU B 668 -4.157 4.045 11.655 1.00 0.00 H new ATOM 0 HA GLU B 668 -2.838 4.309 14.274 1.00 0.00 H new ATOM 0 HB2 GLU B 668 -5.699 4.493 13.293 1.00 0.00 H new ATOM 0 HB3 GLU B 668 -5.346 4.241 14.990 1.00 0.00 H new ATOM 0 HG2 GLU B 668 -4.007 6.331 15.023 1.00 0.00 H new ATOM 0 HG3 GLU B 668 -4.356 6.583 13.325 1.00 0.00 H new ATOM 1944 N LEU B 669 -4.364 1.684 13.071 1.00 0.00 N ATOM 1945 CA LEU B 669 -4.564 0.250 13.257 1.00 0.00 C ATOM 1946 C LEU B 669 -3.825 -0.561 12.196 1.00 0.00 C ATOM 1947 O LEU B 669 -4.151 -1.724 11.955 1.00 0.00 O ATOM 1948 CB LEU B 669 -6.058 -0.098 13.239 1.00 0.00 C ATOM 1949 CG LEU B 669 -6.902 0.638 12.194 1.00 0.00 C ATOM 1950 CD1 LEU B 669 -7.096 2.097 12.585 1.00 0.00 C ATOM 1951 CD2 LEU B 669 -6.265 0.530 10.816 1.00 0.00 C ATOM 0 H LEU B 669 -4.679 2.041 12.169 1.00 0.00 H new ATOM 0 HA LEU B 669 -4.152 -0.012 14.232 1.00 0.00 H new ATOM 0 HB2 LEU B 669 -6.160 -1.170 13.071 1.00 0.00 H new ATOM 0 HB3 LEU B 669 -6.472 0.111 14.225 1.00 0.00 H new ATOM 0 HG LEU B 669 -7.883 0.164 12.155 1.00 0.00 H new ATOM 0 HD11 LEU B 669 -7.698 2.600 11.828 1.00 0.00 H new ATOM 0 HD12 LEU B 669 -7.604 2.151 13.548 1.00 0.00 H new ATOM 0 HD13 LEU B 669 -6.125 2.586 12.659 1.00 0.00 H new ATOM 0 HD21 LEU B 669 -6.880 1.059 10.088 1.00 0.00 H new ATOM 0 HD22 LEU B 669 -5.269 0.973 10.840 1.00 0.00 H new ATOM 0 HD23 LEU B 669 -6.189 -0.519 10.532 1.00 0.00 H new ATOM 1963 N PHE B 670 -2.830 0.053 11.562 1.00 0.00 N ATOM 1964 CA PHE B 670 -2.055 -0.623 10.530 1.00 0.00 C ATOM 1965 C PHE B 670 -0.712 -1.097 11.075 1.00 0.00 C ATOM 1966 O PHE B 670 -0.134 -0.471 11.964 1.00 0.00 O ATOM 1967 CB PHE B 670 -1.835 0.305 9.335 1.00 0.00 C ATOM 1968 CG PHE B 670 -2.725 -0.003 8.166 1.00 0.00 C ATOM 1969 CD1 PHE B 670 -4.081 0.273 8.222 1.00 0.00 C ATOM 1970 CD2 PHE B 670 -2.206 -0.570 7.013 1.00 0.00 C ATOM 1971 CE1 PHE B 670 -4.904 -0.010 7.149 1.00 0.00 C ATOM 1972 CE2 PHE B 670 -3.025 -0.856 5.937 1.00 0.00 C ATOM 1973 CZ PHE B 670 -4.375 -0.576 6.005 1.00 0.00 C ATOM 0 H PHE B 670 -2.543 1.015 11.745 1.00 0.00 H new ATOM 0 HA PHE B 670 -2.621 -1.496 10.204 1.00 0.00 H new ATOM 0 HB2 PHE B 670 -2.004 1.335 9.649 1.00 0.00 H new ATOM 0 HB3 PHE B 670 -0.795 0.235 9.018 1.00 0.00 H new ATOM 0 HD1 PHE B 670 -4.500 0.714 9.114 1.00 0.00 H new ATOM 0 HD2 PHE B 670 -1.150 -0.791 6.955 1.00 0.00 H new ATOM 0 HE1 PHE B 670 -5.960 0.211 7.204 1.00 0.00 H new ATOM 0 HE2 PHE B 670 -2.609 -1.298 5.044 1.00 0.00 H new ATOM 0 HZ PHE B 670 -5.017 -0.799 5.165 1.00 0.00 H new ATOM 1983 N GLU B 671 -0.222 -2.207 10.535 1.00 0.00 N ATOM 1984 CA GLU B 671 1.054 -2.769 10.962 1.00 0.00 C ATOM 1985 C GLU B 671 1.836 -3.305 9.767 1.00 0.00 C ATOM 1986 O GLU B 671 1.321 -4.103 8.985 1.00 0.00 O ATOM 1987 CB GLU B 671 0.828 -3.886 11.982 1.00 0.00 C ATOM 1988 CG GLU B 671 0.634 -3.382 13.403 1.00 0.00 C ATOM 1989 CD GLU B 671 1.937 -3.303 14.176 1.00 0.00 C ATOM 1990 OE1 GLU B 671 2.725 -4.270 14.111 1.00 0.00 O ATOM 1991 OE2 GLU B 671 2.168 -2.275 14.847 1.00 0.00 O ATOM 0 H GLU B 671 -0.690 -2.736 9.799 1.00 0.00 H new ATOM 0 HA GLU B 671 1.636 -1.975 11.429 1.00 0.00 H new ATOM 0 HB2 GLU B 671 -0.048 -4.464 11.688 1.00 0.00 H new ATOM 0 HB3 GLU B 671 1.680 -4.565 11.959 1.00 0.00 H new ATOM 0 HG2 GLU B 671 0.172 -2.395 13.375 1.00 0.00 H new ATOM 0 HG3 GLU B 671 -0.056 -4.042 13.928 1.00 0.00 H new ATOM 1998 N ASP B 672 3.080 -2.859 9.632 1.00 0.00 N ATOM 1999 CA ASP B 672 3.931 -3.293 8.530 1.00 0.00 C ATOM 2000 C ASP B 672 4.129 -4.805 8.558 1.00 0.00 C ATOM 2001 O ASP B 672 4.837 -5.333 9.415 1.00 0.00 O ATOM 2002 CB ASP B 672 5.287 -2.589 8.598 1.00 0.00 C ATOM 2003 CG ASP B 672 5.920 -2.683 9.973 1.00 0.00 C ATOM 2004 OD1 ASP B 672 5.409 -2.031 10.907 1.00 0.00 O ATOM 2005 OD2 ASP B 672 6.926 -3.410 10.115 1.00 0.00 O ATOM 0 H ASP B 672 3.521 -2.198 10.271 1.00 0.00 H new ATOM 0 HA ASP B 672 3.437 -3.027 7.596 1.00 0.00 H new ATOM 0 HB2 ASP B 672 5.959 -3.029 7.861 1.00 0.00 H new ATOM 0 HB3 ASP B 672 5.162 -1.540 8.330 1.00 0.00 H new ATOM 2010 N VAL B 673 3.500 -5.497 7.611 1.00 0.00 N ATOM 2011 CA VAL B 673 3.610 -6.950 7.527 1.00 0.00 C ATOM 2012 C VAL B 673 5.072 -7.384 7.425 1.00 0.00 C ATOM 2013 O VAL B 673 5.932 -6.604 7.016 1.00 0.00 O ATOM 2014 CB VAL B 673 2.830 -7.509 6.320 1.00 0.00 C ATOM 2015 CG1 VAL B 673 1.344 -7.596 6.634 1.00 0.00 C ATOM 2016 CG2 VAL B 673 3.069 -6.661 5.081 1.00 0.00 C ATOM 0 H VAL B 673 2.910 -5.076 6.893 1.00 0.00 H new ATOM 0 HA VAL B 673 3.176 -7.353 8.442 1.00 0.00 H new ATOM 0 HB VAL B 673 3.196 -8.515 6.117 1.00 0.00 H new ATOM 0 HG11 VAL B 673 0.812 -7.993 5.769 1.00 0.00 H new ATOM 0 HG12 VAL B 673 1.191 -8.255 7.488 1.00 0.00 H new ATOM 0 HG13 VAL B 673 0.963 -6.602 6.870 1.00 0.00 H new ATOM 0 HG21 VAL B 673 2.508 -7.075 4.243 1.00 0.00 H new ATOM 0 HG22 VAL B 673 2.738 -5.640 5.270 1.00 0.00 H new ATOM 0 HG23 VAL B 673 4.132 -6.659 4.841 1.00 0.00 H new ATOM 2026 N PRO B 674 5.374 -8.638 7.804 1.00 0.00 N ATOM 2027 CA PRO B 674 6.740 -9.172 7.761 1.00 0.00 C ATOM 2028 C PRO B 674 7.337 -9.141 6.356 1.00 0.00 C ATOM 2029 O PRO B 674 6.707 -9.575 5.392 1.00 0.00 O ATOM 2030 CB PRO B 674 6.586 -10.620 8.244 1.00 0.00 C ATOM 2031 CG PRO B 674 5.135 -10.931 8.096 1.00 0.00 C ATOM 2032 CD PRO B 674 4.413 -9.632 8.308 1.00 0.00 C ATOM 0 HA PRO B 674 7.420 -8.578 8.372 1.00 0.00 H new ATOM 0 HB2 PRO B 674 7.197 -11.300 7.650 1.00 0.00 H new ATOM 0 HB3 PRO B 674 6.907 -10.725 9.280 1.00 0.00 H new ATOM 0 HG2 PRO B 674 4.922 -11.340 7.108 1.00 0.00 H new ATOM 0 HG3 PRO B 674 4.819 -11.677 8.825 1.00 0.00 H new ATOM 0 HD2 PRO B 674 3.472 -9.598 7.760 1.00 0.00 H new ATOM 0 HD3 PRO B 674 4.176 -9.468 9.359 1.00 0.00 H new ATOM 2040 N THR B 675 8.559 -8.627 6.252 1.00 0.00 N ATOM 2041 CA THR B 675 9.246 -8.540 4.968 1.00 0.00 C ATOM 2042 C THR B 675 10.720 -8.905 5.119 1.00 0.00 C ATOM 2043 O THR B 675 11.384 -8.473 6.061 1.00 0.00 O ATOM 2044 CB THR B 675 9.114 -7.131 4.388 1.00 0.00 C ATOM 2045 OG1 THR B 675 8.952 -6.176 5.420 1.00 0.00 O ATOM 2046 CG2 THR B 675 7.944 -6.984 3.438 1.00 0.00 C ATOM 0 H THR B 675 9.094 -8.265 7.041 1.00 0.00 H new ATOM 0 HA THR B 675 8.780 -9.250 4.284 1.00 0.00 H new ATOM 0 HB THR B 675 10.037 -6.959 3.834 1.00 0.00 H new ATOM 0 HG1 THR B 675 8.871 -5.281 5.028 1.00 0.00 H new ATOM 0 HG21 THR B 675 7.907 -5.962 3.062 1.00 0.00 H new ATOM 0 HG22 THR B 675 8.065 -7.674 2.603 1.00 0.00 H new ATOM 0 HG23 THR B 675 7.017 -7.211 3.965 1.00 0.00 H new ATOM 2054 N LYS B 676 11.226 -9.703 4.184 1.00 0.00 N ATOM 2055 CA LYS B 676 12.622 -10.127 4.214 1.00 0.00 C ATOM 2056 C LYS B 676 13.558 -8.923 4.189 1.00 0.00 C ATOM 2057 O LYS B 676 13.140 -7.805 3.889 1.00 0.00 O ATOM 2058 CB LYS B 676 12.922 -11.047 3.029 1.00 0.00 C ATOM 2059 CG LYS B 676 13.869 -12.186 3.368 1.00 0.00 C ATOM 2060 CD LYS B 676 14.782 -12.518 2.198 1.00 0.00 C ATOM 2061 CE LYS B 676 16.139 -13.013 2.673 1.00 0.00 C ATOM 2062 NZ LYS B 676 17.240 -12.557 1.782 1.00 0.00 N ATOM 0 H LYS B 676 10.691 -10.069 3.397 1.00 0.00 H new ATOM 0 HA LYS B 676 12.790 -10.674 5.142 1.00 0.00 H new ATOM 0 HB2 LYS B 676 11.986 -11.463 2.656 1.00 0.00 H new ATOM 0 HB3 LYS B 676 13.353 -10.456 2.221 1.00 0.00 H new ATOM 0 HG2 LYS B 676 14.471 -11.914 4.235 1.00 0.00 H new ATOM 0 HG3 LYS B 676 13.293 -13.069 3.644 1.00 0.00 H new ATOM 0 HD2 LYS B 676 14.314 -13.279 1.574 1.00 0.00 H new ATOM 0 HD3 LYS B 676 14.914 -11.633 1.575 1.00 0.00 H new ATOM 0 HE2 LYS B 676 16.321 -12.656 3.687 1.00 0.00 H new ATOM 0 HE3 LYS B 676 16.134 -14.102 2.715 1.00 0.00 H new ATOM 0 HZ1 LYS B 676 18.131 -12.530 2.317 1.00 0.00 H new ATOM 0 HZ2 LYS B 676 17.336 -13.216 0.983 1.00 0.00 H new ATOM 0 HZ3 LYS B 676 17.024 -11.606 1.422 1.00 0.00 H new ATOM 2076 N SER B 677 14.826 -9.160 4.507 1.00 0.00 N ATOM 2077 CA SER B 677 15.822 -8.095 4.521 1.00 0.00 C ATOM 2078 C SER B 677 17.208 -8.650 4.837 1.00 0.00 C ATOM 2079 O SER B 677 17.418 -9.265 5.882 1.00 0.00 O ATOM 2080 CB SER B 677 15.443 -7.026 5.547 1.00 0.00 C ATOM 2081 OG SER B 677 14.660 -6.004 4.955 1.00 0.00 O ATOM 0 H SER B 677 15.188 -10.080 4.758 1.00 0.00 H new ATOM 0 HA SER B 677 15.848 -7.644 3.529 1.00 0.00 H new ATOM 0 HB2 SER B 677 14.889 -7.484 6.366 1.00 0.00 H new ATOM 0 HB3 SER B 677 16.347 -6.593 5.976 1.00 0.00 H new ATOM 0 HG SER B 677 14.154 -6.374 4.202 1.00 0.00 H new ATOM 2087 N GLN B 678 18.150 -8.427 3.926 1.00 0.00 N ATOM 2088 CA GLN B 678 19.516 -8.905 4.108 1.00 0.00 C ATOM 2089 C GLN B 678 20.524 -7.822 3.740 1.00 0.00 C ATOM 2090 O GLN B 678 20.249 -6.961 2.905 1.00 0.00 O ATOM 2091 CB GLN B 678 19.759 -10.154 3.258 1.00 0.00 C ATOM 2092 CG GLN B 678 20.983 -10.949 3.681 1.00 0.00 C ATOM 2093 CD GLN B 678 20.773 -12.447 3.570 1.00 0.00 C ATOM 2094 OE1 GLN B 678 20.515 -12.970 2.486 1.00 0.00 O ATOM 2095 NE2 GLN B 678 20.880 -13.144 4.695 1.00 0.00 N ATOM 0 H GLN B 678 17.993 -7.919 3.056 1.00 0.00 H new ATOM 0 HA GLN B 678 19.649 -9.158 5.160 1.00 0.00 H new ATOM 0 HB2 GLN B 678 18.881 -10.798 3.314 1.00 0.00 H new ATOM 0 HB3 GLN B 678 19.871 -9.857 2.215 1.00 0.00 H new ATOM 0 HG2 GLN B 678 21.832 -10.658 3.062 1.00 0.00 H new ATOM 0 HG3 GLN B 678 21.237 -10.697 4.710 1.00 0.00 H new ATOM 0 HE21 GLN B 678 21.095 -12.668 5.571 1.00 0.00 H new ATOM 0 HE22 GLN B 678 20.747 -14.155 4.683 1.00 0.00 H new ATOM 2104 N ILE B 679 21.693 -7.871 4.371 1.00 0.00 N ATOM 2105 CA ILE B 679 22.743 -6.894 4.109 1.00 0.00 C ATOM 2106 C ILE B 679 24.111 -7.565 4.030 1.00 0.00 C ATOM 2107 O ILE B 679 25.129 -6.967 4.379 1.00 0.00 O ATOM 2108 CB ILE B 679 22.781 -5.805 5.199 1.00 0.00 C ATOM 2109 CG1 ILE B 679 22.955 -6.440 6.580 1.00 0.00 C ATOM 2110 CG2 ILE B 679 21.515 -4.964 5.151 1.00 0.00 C ATOM 2111 CD1 ILE B 679 24.400 -6.552 7.017 1.00 0.00 C ATOM 0 H ILE B 679 21.936 -8.576 5.067 1.00 0.00 H new ATOM 0 HA ILE B 679 22.512 -6.431 3.150 1.00 0.00 H new ATOM 0 HB ILE B 679 23.634 -5.153 5.011 1.00 0.00 H new ATOM 0 HG12 ILE B 679 22.407 -5.849 7.314 1.00 0.00 H new ATOM 0 HG13 ILE B 679 22.508 -7.434 6.573 1.00 0.00 H new ATOM 0 HG21 ILE B 679 21.557 -4.199 5.927 1.00 0.00 H new ATOM 0 HG22 ILE B 679 21.432 -4.486 4.175 1.00 0.00 H new ATOM 0 HG23 ILE B 679 20.647 -5.603 5.317 1.00 0.00 H new ATOM 0 HD11 ILE B 679 24.447 -7.011 8.005 1.00 0.00 H new ATOM 0 HD12 ILE B 679 24.949 -7.167 6.304 1.00 0.00 H new ATOM 0 HD13 ILE B 679 24.846 -5.558 7.057 1.00 0.00 H new ATOM 2123 N SER B 680 24.127 -8.811 3.569 1.00 0.00 N ATOM 2124 CA SER B 680 25.369 -9.564 3.443 1.00 0.00 C ATOM 2125 C SER B 680 25.239 -10.658 2.388 1.00 0.00 C ATOM 2126 O SER B 680 26.281 -11.087 1.850 1.00 0.00 O ATOM 2127 CB SER B 680 25.756 -10.180 4.789 1.00 0.00 C ATOM 2128 OG SER B 680 26.516 -9.272 5.567 1.00 0.00 O ATOM 0 H SER B 680 23.293 -9.321 3.276 1.00 0.00 H new ATOM 0 HA SER B 680 26.152 -8.874 3.129 1.00 0.00 H new ATOM 0 HB2 SER B 680 24.856 -10.465 5.334 1.00 0.00 H new ATOM 0 HB3 SER B 680 26.331 -11.091 4.623 1.00 0.00 H new ATOM 0 HG SER B 680 26.348 -8.357 5.259 1.00 0.00 H new TER 2134 SER B 680