USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 848 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 49 THR OG1 : rot -37:sc= 0.294 USER MOD Set 1.2: B 51 THR OG1 : rot 67:sc= 1.25 USER MOD Set 2.1: A 33 TYR OH : rot -30:sc= 0.34 USER MOD Set 2.2: B 11 THR OG1 : rot 126:sc= 0.374 USER MOD Set 3.1: B 8 ASN : amide:sc= 0.672 K(o=0.67,f=0) USER MOD Set 3.2: B 55 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: B 1 MET CE :methyl 177:sc= -1.36 (180deg=-1.42) USER MOD Set 4.2: B 3 TYR OH : rot 180:sc= -0.0288 USER MOD Set 5.1: A 8 ASN : amide:sc= 0.787 K(o=0.79,f=0) USER MOD Set 5.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 176:sc= 0 (180deg=-0.0351) USER MOD Single : A 1 MET N :NH3+ 150:sc= 0.743 (180deg=0.375) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 175:sc= 1.14 (180deg=1.11) USER MOD Single : A 10 LYS NZ :NH3+ -115:sc= 0.293 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 160:sc= -0.097 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 129:sc= 1.32 USER MOD Single : A 25 THR OG1 : rot 75:sc= 1.21 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 165:sc= 1.12 (180deg=0.931) USER MOD Single : A 32 GLN : amide:sc= -0.0652 X(o=-0.065,f=-0.065) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= 1.81 K(o=1.8,f=-0.31) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -151:sc= 1.2 USER MOD Single : A 49 THR OG1 : rot -39:sc= 0.453 USER MOD Single : A 50 LYS NZ :NH3+ -164:sc= 1.19 (180deg=1.04) USER MOD Single : A 51 THR OG1 : rot 65:sc= 0.577 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET N :NH3+ -177:sc= 1.77 (180deg=1.75) USER MOD Single : B 2 GLN : amide:sc= 0.569 K(o=0.57,f=0) USER MOD Single : B 4 LYS NZ :NH3+ 171:sc= 0.957 (180deg=0.903) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ -167:sc= 1.15 (180deg=1.02) USER MOD Single : B 16 THR OG1 : rot 180:sc=-0.00704 USER MOD Single : B 17 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 THR OG1 : rot 71:sc= 1.25 USER MOD Single : B 25 THR OG1 : rot -130:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 164:sc= 1.16 (180deg=0.979) USER MOD Single : B 32 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.17) USER MOD Single : B 33 TYR OH : rot 150:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 37 ASN : amide:sc= 2.27 K(o=2.3,f=-0.25) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 TYR OH : rot -150:sc= 1.26 USER MOD Single : B 50 LYS NZ :NH3+ -140:sc= 0.215 (180deg=-0.568) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.256 8.918 -17.202 1.00 0.00 N ATOM 2 CA MET A 1 -5.296 7.934 -16.805 1.00 0.00 C ATOM 3 C MET A 1 -5.042 7.434 -15.385 1.00 0.00 C ATOM 4 O MET A 1 -3.891 7.295 -14.971 1.00 0.00 O ATOM 5 CB MET A 1 -5.380 6.777 -17.824 1.00 0.00 C ATOM 6 CG MET A 1 -6.499 5.766 -17.532 1.00 0.00 C ATOM 7 SD MET A 1 -8.157 6.495 -17.361 1.00 0.00 S ATOM 8 CE MET A 1 -9.114 5.005 -16.970 1.00 0.00 C ATOM 0 H1 MET A 1 -4.109 8.871 -18.230 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.566 9.875 -16.940 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.365 8.697 -16.714 1.00 0.00 H new ATOM 0 HA MET A 1 -6.267 8.430 -16.809 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.532 7.194 -18.820 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.425 6.252 -17.841 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.522 5.029 -18.334 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.256 5.231 -16.614 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.148 5.281 -16.762 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.084 4.321 -17.818 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.686 4.517 -16.094 1.00 0.00 H new ATOM 20 N GLN A 2 -6.110 7.193 -14.620 1.00 0.00 N ATOM 21 CA GLN A 2 -6.045 6.574 -13.285 1.00 0.00 C ATOM 22 C GLN A 2 -5.886 5.044 -13.364 1.00 0.00 C ATOM 23 O GLN A 2 -6.577 4.373 -14.136 1.00 0.00 O ATOM 24 CB GLN A 2 -7.279 6.977 -12.466 1.00 0.00 C ATOM 25 CG GLN A 2 -7.175 6.544 -10.996 1.00 0.00 C ATOM 26 CD GLN A 2 -7.879 7.522 -10.085 1.00 0.00 C ATOM 27 OE1 GLN A 2 -9.042 7.361 -9.736 1.00 0.00 O ATOM 28 NE2 GLN A 2 -7.186 8.568 -9.682 1.00 0.00 N ATOM 0 H GLN A 2 -7.060 7.424 -14.911 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.154 6.945 -12.778 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.406 8.058 -12.515 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.168 6.531 -12.911 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -7.611 5.552 -10.875 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -6.126 6.468 -10.710 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -6.218 8.685 -9.983 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -7.617 9.260 -9.069 1.00 0.00 H new ATOM 37 N TYR A 3 -4.965 4.505 -12.566 1.00 0.00 N ATOM 38 CA TYR A 3 -4.661 3.076 -12.410 1.00 0.00 C ATOM 39 C TYR A 3 -4.751 2.629 -10.939 1.00 0.00 C ATOM 40 O TYR A 3 -4.642 3.458 -10.031 1.00 0.00 O ATOM 41 CB TYR A 3 -3.266 2.809 -12.985 1.00 0.00 C ATOM 42 CG TYR A 3 -3.175 3.016 -14.487 1.00 0.00 C ATOM 43 CD1 TYR A 3 -3.550 1.981 -15.364 1.00 0.00 C ATOM 44 CD2 TYR A 3 -2.754 4.254 -15.010 1.00 0.00 C ATOM 45 CE1 TYR A 3 -3.533 2.193 -16.755 1.00 0.00 C ATOM 46 CE2 TYR A 3 -2.720 4.458 -16.402 1.00 0.00 C ATOM 47 CZ TYR A 3 -3.122 3.433 -17.272 1.00 0.00 C ATOM 48 OH TYR A 3 -3.098 3.642 -18.617 1.00 0.00 O ATOM 0 H TYR A 3 -4.373 5.087 -11.973 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.403 2.492 -12.955 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.548 3.465 -12.493 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.976 1.785 -12.750 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.851 1.022 -14.969 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -2.457 5.048 -14.341 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -3.836 1.402 -17.425 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -2.384 5.404 -16.801 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.790 4.554 -18.801 1.00 0.00 H new ATOM 58 N LYS A 4 -4.876 1.322 -10.691 1.00 0.00 N ATOM 59 CA LYS A 4 -4.981 0.725 -9.346 1.00 0.00 C ATOM 60 C LYS A 4 -4.097 -0.535 -9.168 1.00 0.00 C ATOM 61 O LYS A 4 -3.794 -1.223 -10.139 1.00 0.00 O ATOM 62 CB LYS A 4 -6.467 0.432 -9.063 1.00 0.00 C ATOM 63 CG LYS A 4 -6.762 0.214 -7.568 1.00 0.00 C ATOM 64 CD LYS A 4 -8.239 -0.049 -7.257 1.00 0.00 C ATOM 65 CE LYS A 4 -8.734 -1.320 -7.954 1.00 0.00 C ATOM 66 NZ LYS A 4 -9.988 -1.818 -7.357 1.00 0.00 N ATOM 0 H LYS A 4 -4.908 0.627 -11.437 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.597 1.438 -8.616 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.072 1.261 -9.430 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.770 -0.454 -9.621 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.170 -0.629 -7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.435 1.092 -7.012 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.375 -0.145 -6.180 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.838 0.803 -7.579 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.891 -1.116 -9.013 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.968 -2.093 -7.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.337 -2.629 -7.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.811 -2.116 -6.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.701 -1.061 -7.366 1.00 0.00 H new ATOM 80 N LEU A 5 -3.716 -0.854 -7.931 1.00 0.00 N ATOM 81 CA LEU A 5 -2.918 -2.005 -7.486 1.00 0.00 C ATOM 82 C LEU A 5 -3.673 -2.758 -6.370 1.00 0.00 C ATOM 83 O LEU A 5 -4.059 -2.143 -5.375 1.00 0.00 O ATOM 84 CB LEU A 5 -1.571 -1.455 -6.966 1.00 0.00 C ATOM 85 CG LEU A 5 -0.392 -2.415 -6.716 1.00 0.00 C ATOM 86 CD1 LEU A 5 -0.586 -3.362 -5.535 1.00 0.00 C ATOM 87 CD2 LEU A 5 -0.031 -3.240 -7.948 1.00 0.00 C ATOM 0 H LEU A 5 -3.980 -0.263 -7.142 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.745 -2.707 -8.302 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.231 -0.703 -7.678 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.772 -0.938 -6.028 1.00 0.00 H new ATOM 0 HG LEU A 5 0.429 -1.741 -6.471 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.291 -4.001 -5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.721 -2.782 -4.622 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.467 -3.981 -5.706 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.806 -3.898 -7.713 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.890 -3.839 -8.249 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.250 -2.573 -8.763 1.00 0.00 H new ATOM 99 N ILE A 6 -3.863 -4.071 -6.512 1.00 0.00 N ATOM 100 CA ILE A 6 -4.439 -4.970 -5.494 1.00 0.00 C ATOM 101 C ILE A 6 -3.325 -5.838 -4.898 1.00 0.00 C ATOM 102 O ILE A 6 -2.618 -6.536 -5.631 1.00 0.00 O ATOM 103 CB ILE A 6 -5.547 -5.871 -6.093 1.00 0.00 C ATOM 104 CG1 ILE A 6 -6.610 -5.031 -6.834 1.00 0.00 C ATOM 105 CG2 ILE A 6 -6.177 -6.740 -4.981 1.00 0.00 C ATOM 106 CD1 ILE A 6 -7.724 -5.853 -7.494 1.00 0.00 C ATOM 0 H ILE A 6 -3.612 -4.562 -7.370 1.00 0.00 H new ATOM 0 HA ILE A 6 -4.894 -4.359 -4.714 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.098 -6.535 -6.832 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.060 -4.333 -6.128 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.114 -4.434 -7.599 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.956 -7.371 -5.410 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.408 -7.368 -4.530 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.612 -6.095 -4.218 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.425 -5.183 -7.991 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.289 -6.532 -8.228 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.250 -6.430 -6.733 1.00 0.00 H new ATOM 118 N LEU A 7 -3.176 -5.819 -3.575 1.00 0.00 N ATOM 119 CA LEU A 7 -2.074 -6.444 -2.853 1.00 0.00 C ATOM 120 C LEU A 7 -2.569 -7.646 -2.023 1.00 0.00 C ATOM 121 O LEU A 7 -3.361 -7.502 -1.089 1.00 0.00 O ATOM 122 CB LEU A 7 -1.401 -5.346 -2.010 1.00 0.00 C ATOM 123 CG LEU A 7 -0.057 -5.746 -1.384 1.00 0.00 C ATOM 124 CD1 LEU A 7 0.994 -6.069 -2.447 1.00 0.00 C ATOM 125 CD2 LEU A 7 0.459 -4.582 -0.544 1.00 0.00 C ATOM 0 H LEU A 7 -3.841 -5.353 -2.958 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.335 -6.863 -3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.246 -4.469 -2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.083 -5.050 -1.213 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.222 -6.637 -0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.929 -6.347 -1.961 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.645 -6.897 -3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.158 -5.193 -3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.414 -4.853 -0.094 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.593 -3.706 -1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.261 -4.353 0.242 1.00 0.00 H new ATOM 137 N ASN A 8 -2.078 -8.826 -2.402 1.00 0.00 N ATOM 138 CA ASN A 8 -2.311 -10.099 -1.728 1.00 0.00 C ATOM 139 C ASN A 8 -0.988 -10.732 -1.253 1.00 0.00 C ATOM 140 O ASN A 8 -0.125 -11.113 -2.052 1.00 0.00 O ATOM 141 CB ASN A 8 -3.145 -11.049 -2.598 1.00 0.00 C ATOM 142 CG ASN A 8 -4.291 -10.399 -3.347 1.00 0.00 C ATOM 143 OD1 ASN A 8 -5.436 -10.381 -2.909 1.00 0.00 O ATOM 144 ND2 ASN A 8 -3.991 -9.888 -4.518 1.00 0.00 N ATOM 0 H ASN A 8 -1.481 -8.923 -3.223 1.00 0.00 H new ATOM 0 HA ASN A 8 -2.901 -9.904 -0.832 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.485 -11.528 -3.321 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.548 -11.838 -1.963 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.720 -9.461 -5.090 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.029 -9.918 -4.856 1.00 0.00 H new ATOM 151 N GLY A 9 -0.851 -10.857 0.063 1.00 0.00 N ATOM 152 CA GLY A 9 0.309 -11.438 0.748 1.00 0.00 C ATOM 153 C GLY A 9 -0.037 -12.112 2.080 1.00 0.00 C ATOM 154 O GLY A 9 -1.173 -12.039 2.556 1.00 0.00 O ATOM 0 H GLY A 9 -1.573 -10.545 0.713 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.778 -12.170 0.091 1.00 0.00 H new ATOM 0 HA3 GLY A 9 1.044 -10.654 0.928 1.00 0.00 H new ATOM 158 N LYS A 10 0.941 -12.788 2.686 1.00 0.00 N ATOM 159 CA LYS A 10 0.743 -13.634 3.879 1.00 0.00 C ATOM 160 C LYS A 10 0.834 -12.852 5.213 1.00 0.00 C ATOM 161 O LYS A 10 0.542 -13.393 6.284 1.00 0.00 O ATOM 162 CB LYS A 10 1.755 -14.798 3.864 1.00 0.00 C ATOM 163 CG LYS A 10 1.828 -15.613 2.556 1.00 0.00 C ATOM 164 CD LYS A 10 0.481 -16.170 2.067 1.00 0.00 C ATOM 165 CE LYS A 10 0.694 -16.957 0.768 1.00 0.00 C ATOM 166 NZ LYS A 10 -0.579 -17.405 0.171 1.00 0.00 N ATOM 0 H LYS A 10 1.908 -12.767 2.363 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.274 -14.022 3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.746 -14.395 4.073 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.509 -15.478 4.679 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.249 -14.981 1.774 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.518 -16.444 2.701 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.045 -16.816 2.829 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.223 -15.354 1.899 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.230 -16.334 0.052 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.323 -17.824 0.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.623 -18.444 0.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.374 -17.017 0.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.639 -17.070 -0.812 1.00 0.00 H new ATOM 180 N THR A 11 1.218 -11.575 5.139 1.00 0.00 N ATOM 181 CA THR A 11 1.574 -10.706 6.283 1.00 0.00 C ATOM 182 C THR A 11 0.951 -9.295 6.186 1.00 0.00 C ATOM 183 O THR A 11 0.799 -8.590 7.188 1.00 0.00 O ATOM 184 CB THR A 11 3.115 -10.580 6.323 1.00 0.00 C ATOM 185 OG1 THR A 11 3.735 -11.851 6.322 1.00 0.00 O ATOM 186 CG2 THR A 11 3.668 -9.832 7.531 1.00 0.00 C ATOM 0 H THR A 11 1.295 -11.090 4.245 1.00 0.00 H new ATOM 0 HA THR A 11 1.179 -11.162 7.190 1.00 0.00 H new ATOM 0 HB THR A 11 3.344 -10.006 5.425 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.708 -11.740 6.346 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.756 -9.796 7.470 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.271 -8.817 7.543 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.373 -10.348 8.445 1.00 0.00 H new ATOM 194 N LEU A 12 0.552 -8.889 4.978 1.00 0.00 N ATOM 195 CA LEU A 12 -0.144 -7.633 4.681 1.00 0.00 C ATOM 196 C LEU A 12 -1.035 -7.790 3.430 1.00 0.00 C ATOM 197 O LEU A 12 -0.668 -8.505 2.493 1.00 0.00 O ATOM 198 CB LEU A 12 0.917 -6.515 4.564 1.00 0.00 C ATOM 199 CG LEU A 12 0.349 -5.099 4.336 1.00 0.00 C ATOM 200 CD1 LEU A 12 1.187 -4.057 5.075 1.00 0.00 C ATOM 201 CD2 LEU A 12 0.351 -4.728 2.859 1.00 0.00 C ATOM 0 H LEU A 12 0.712 -9.452 4.142 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.829 -7.357 5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.517 -6.507 5.474 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.589 -6.757 3.741 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.674 -5.108 4.713 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.770 -3.065 4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 12 1.177 -4.273 6.143 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.213 -4.088 4.708 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.056 -3.724 2.735 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.372 -4.755 2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.262 -5.439 2.305 1.00 0.00 H new ATOM 213 N LYS A 13 -2.185 -7.115 3.401 1.00 0.00 N ATOM 214 CA LYS A 13 -3.103 -7.062 2.248 1.00 0.00 C ATOM 215 C LYS A 13 -3.705 -5.653 2.088 1.00 0.00 C ATOM 216 O LYS A 13 -3.836 -4.927 3.075 1.00 0.00 O ATOM 217 CB LYS A 13 -4.242 -8.087 2.421 1.00 0.00 C ATOM 218 CG LYS A 13 -3.762 -9.550 2.439 1.00 0.00 C ATOM 219 CD LYS A 13 -4.908 -10.563 2.577 1.00 0.00 C ATOM 220 CE LYS A 13 -5.842 -10.571 1.358 1.00 0.00 C ATOM 221 NZ LYS A 13 -6.920 -11.574 1.500 1.00 0.00 N ATOM 0 H LYS A 13 -2.518 -6.573 4.198 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.529 -7.304 1.354 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.770 -7.876 3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.960 -7.959 1.611 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.212 -9.756 1.521 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.064 -9.686 3.265 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.491 -11.560 2.717 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.486 -10.331 3.471 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.281 -9.581 1.229 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.264 -10.783 0.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.530 -11.550 0.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.502 -12.521 1.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.487 -11.357 2.344 1.00 0.00 H new ATOM 235 N GLY A 14 -4.091 -5.245 0.878 1.00 0.00 N ATOM 236 CA GLY A 14 -4.618 -3.890 0.635 1.00 0.00 C ATOM 237 C GLY A 14 -4.867 -3.517 -0.830 1.00 0.00 C ATOM 238 O GLY A 14 -4.779 -4.361 -1.725 1.00 0.00 O ATOM 0 H GLY A 14 -4.050 -5.832 0.045 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.556 -3.784 1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.919 -3.169 1.059 1.00 0.00 H new ATOM 242 N GLU A 15 -5.160 -2.235 -1.069 1.00 0.00 N ATOM 243 CA GLU A 15 -5.323 -1.616 -2.402 1.00 0.00 C ATOM 244 C GLU A 15 -4.780 -0.186 -2.450 1.00 0.00 C ATOM 245 O GLU A 15 -4.979 0.592 -1.517 1.00 0.00 O ATOM 246 CB GLU A 15 -6.798 -1.554 -2.835 1.00 0.00 C ATOM 247 CG GLU A 15 -7.423 -2.921 -3.102 1.00 0.00 C ATOM 248 CD GLU A 15 -8.861 -2.749 -3.570 1.00 0.00 C ATOM 249 OE1 GLU A 15 -9.073 -2.558 -4.789 1.00 0.00 O ATOM 250 OE2 GLU A 15 -9.776 -2.809 -2.719 1.00 0.00 O ATOM 0 H GLU A 15 -5.297 -1.566 -0.311 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.756 -2.255 -3.079 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.373 -1.048 -2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.876 -0.947 -3.737 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.846 -3.453 -3.858 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.396 -3.526 -2.196 1.00 0.00 H new ATOM 257 N THR A 16 -4.137 0.166 -3.561 1.00 0.00 N ATOM 258 CA THR A 16 -3.594 1.519 -3.815 1.00 0.00 C ATOM 259 C THR A 16 -3.908 2.033 -5.222 1.00 0.00 C ATOM 260 O THR A 16 -4.028 1.252 -6.160 1.00 0.00 O ATOM 261 CB THR A 16 -2.072 1.619 -3.571 1.00 0.00 C ATOM 262 OG1 THR A 16 -1.295 0.994 -4.569 1.00 0.00 O ATOM 263 CG2 THR A 16 -1.624 0.989 -2.256 1.00 0.00 C ATOM 0 H THR A 16 -3.970 -0.484 -4.329 1.00 0.00 H new ATOM 0 HA THR A 16 -4.103 2.152 -3.088 1.00 0.00 H new ATOM 0 HB THR A 16 -1.907 2.696 -3.567 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.383 1.351 -4.545 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.544 1.096 -2.151 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.121 1.489 -1.425 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.886 -0.069 -2.252 1.00 0.00 H new ATOM 271 N THR A 17 -3.991 3.348 -5.397 1.00 0.00 N ATOM 272 CA THR A 17 -4.487 3.999 -6.625 1.00 0.00 C ATOM 273 C THR A 17 -3.679 5.266 -6.931 1.00 0.00 C ATOM 274 O THR A 17 -3.309 6.011 -6.016 1.00 0.00 O ATOM 275 CB THR A 17 -5.981 4.388 -6.486 1.00 0.00 C ATOM 276 OG1 THR A 17 -6.714 3.486 -5.679 1.00 0.00 O ATOM 277 CG2 THR A 17 -6.710 4.441 -7.829 1.00 0.00 C ATOM 0 H THR A 17 -3.711 4.015 -4.677 1.00 0.00 H new ATOM 0 HA THR A 17 -4.373 3.283 -7.439 1.00 0.00 H new ATOM 0 HB THR A 17 -5.945 5.376 -6.026 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.647 3.780 -5.624 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.752 4.718 -7.667 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.233 5.180 -8.473 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.665 3.462 -8.306 1.00 0.00 H new ATOM 285 N THR A 18 -3.393 5.531 -8.208 1.00 0.00 N ATOM 286 CA THR A 18 -2.652 6.721 -8.666 1.00 0.00 C ATOM 287 C THR A 18 -3.068 7.126 -10.089 1.00 0.00 C ATOM 288 O THR A 18 -3.623 6.315 -10.833 1.00 0.00 O ATOM 289 CB THR A 18 -1.124 6.478 -8.622 1.00 0.00 C ATOM 290 OG1 THR A 18 -0.430 7.692 -8.781 1.00 0.00 O ATOM 291 CG2 THR A 18 -0.600 5.490 -9.671 1.00 0.00 C ATOM 0 H THR A 18 -3.673 4.916 -8.972 1.00 0.00 H new ATOM 0 HA THR A 18 -2.901 7.534 -7.984 1.00 0.00 H new ATOM 0 HB THR A 18 -0.943 6.033 -7.643 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.229 7.789 -8.062 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.479 5.383 -9.563 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.076 4.520 -9.527 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.830 5.863 -10.669 1.00 0.00 H new ATOM 299 N GLU A 19 -2.783 8.367 -10.488 1.00 0.00 N ATOM 300 CA GLU A 19 -2.995 8.907 -11.846 1.00 0.00 C ATOM 301 C GLU A 19 -1.650 9.239 -12.486 1.00 0.00 C ATOM 302 O GLU A 19 -0.861 10.009 -11.935 1.00 0.00 O ATOM 303 CB GLU A 19 -3.924 10.128 -11.808 1.00 0.00 C ATOM 304 CG GLU A 19 -4.300 10.618 -13.205 1.00 0.00 C ATOM 305 CD GLU A 19 -5.299 11.762 -13.101 1.00 0.00 C ATOM 306 OE1 GLU A 19 -4.862 12.918 -12.906 1.00 0.00 O ATOM 307 OE2 GLU A 19 -6.515 11.501 -13.232 1.00 0.00 O ATOM 0 H GLU A 19 -2.381 9.057 -9.853 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.485 8.151 -12.459 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.831 9.874 -11.259 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.436 10.935 -11.262 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.408 10.950 -13.736 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.729 9.800 -13.784 1.00 0.00 H new ATOM 314 N ALA A 20 -1.379 8.624 -13.635 1.00 0.00 N ATOM 315 CA ALA A 20 -0.106 8.666 -14.343 1.00 0.00 C ATOM 316 C ALA A 20 -0.334 8.876 -15.848 1.00 0.00 C ATOM 317 O ALA A 20 -1.474 8.861 -16.328 1.00 0.00 O ATOM 318 CB ALA A 20 0.629 7.349 -14.069 1.00 0.00 C ATOM 0 H ALA A 20 -2.075 8.057 -14.119 1.00 0.00 H new ATOM 0 HA ALA A 20 0.498 9.503 -13.992 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.588 7.353 -14.588 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.797 7.242 -12.997 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.026 6.514 -14.427 1.00 0.00 H new ATOM 324 N VAL A 21 0.748 9.057 -16.606 1.00 0.00 N ATOM 325 CA VAL A 21 0.628 9.199 -18.073 1.00 0.00 C ATOM 326 C VAL A 21 0.108 7.894 -18.696 1.00 0.00 C ATOM 327 O VAL A 21 -0.838 7.919 -19.488 1.00 0.00 O ATOM 328 CB VAL A 21 1.929 9.716 -18.714 1.00 0.00 C ATOM 329 CG1 VAL A 21 3.133 8.846 -18.364 1.00 0.00 C ATOM 330 CG2 VAL A 21 1.831 9.857 -20.237 1.00 0.00 C ATOM 0 H VAL A 21 1.701 9.109 -16.247 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.114 9.968 -18.288 1.00 0.00 H new ATOM 0 HB VAL A 21 2.075 10.709 -18.289 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.026 9.252 -18.840 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.271 8.834 -17.283 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.963 7.830 -18.719 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.779 10.225 -20.630 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.608 8.886 -20.679 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.037 10.560 -20.487 1.00 0.00 H new ATOM 340 N ASP A 22 0.659 6.750 -18.264 1.00 0.00 N ATOM 341 CA ASP A 22 0.303 5.417 -18.761 1.00 0.00 C ATOM 342 C ASP A 22 0.508 4.285 -17.742 1.00 0.00 C ATOM 343 O ASP A 22 1.125 4.452 -16.687 1.00 0.00 O ATOM 344 CB ASP A 22 1.159 5.135 -20.014 1.00 0.00 C ATOM 345 CG ASP A 22 2.583 4.633 -19.696 1.00 0.00 C ATOM 346 OD1 ASP A 22 3.268 5.211 -18.815 1.00 0.00 O ATOM 347 OD2 ASP A 22 2.980 3.608 -20.295 1.00 0.00 O ATOM 0 H ASP A 22 1.380 6.728 -17.543 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.765 5.429 -18.979 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.651 4.393 -20.630 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.229 6.047 -20.607 1.00 0.00 H new ATOM 352 N ALA A 23 0.014 3.112 -18.128 1.00 0.00 N ATOM 353 CA ALA A 23 0.099 1.872 -17.369 1.00 0.00 C ATOM 354 C ALA A 23 1.530 1.496 -16.955 1.00 0.00 C ATOM 355 O ALA A 23 1.699 0.896 -15.901 1.00 0.00 O ATOM 356 CB ALA A 23 -0.543 0.744 -18.187 1.00 0.00 C ATOM 0 H ALA A 23 -0.476 2.997 -19.015 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.442 2.025 -16.435 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.485 -0.190 -17.628 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.588 0.985 -18.382 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.013 0.634 -19.133 1.00 0.00 H new ATOM 362 N ALA A 24 2.565 1.862 -17.721 1.00 0.00 N ATOM 363 CA ALA A 24 3.949 1.581 -17.381 1.00 0.00 C ATOM 364 C ALA A 24 4.493 2.576 -16.347 1.00 0.00 C ATOM 365 O ALA A 24 5.225 2.166 -15.449 1.00 0.00 O ATOM 366 CB ALA A 24 4.826 1.542 -18.636 1.00 0.00 C ATOM 0 H ALA A 24 2.455 2.366 -18.601 1.00 0.00 H new ATOM 0 HA ALA A 24 3.980 0.593 -16.921 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.857 1.330 -18.353 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.466 0.762 -19.307 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.780 2.506 -19.142 1.00 0.00 H new ATOM 372 N THR A 25 4.114 3.859 -16.371 1.00 0.00 N ATOM 373 CA THR A 25 4.422 4.813 -15.292 1.00 0.00 C ATOM 374 C THR A 25 3.700 4.445 -13.990 1.00 0.00 C ATOM 375 O THR A 25 4.328 4.347 -12.937 1.00 0.00 O ATOM 376 CB THR A 25 4.050 6.238 -15.712 1.00 0.00 C ATOM 377 OG1 THR A 25 4.661 6.549 -16.946 1.00 0.00 O ATOM 378 CG2 THR A 25 4.511 7.292 -14.702 1.00 0.00 C ATOM 0 H THR A 25 3.584 4.269 -17.140 1.00 0.00 H new ATOM 0 HA THR A 25 5.495 4.763 -15.108 1.00 0.00 H new ATOM 0 HB THR A 25 2.962 6.262 -15.779 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.192 6.084 -17.670 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.220 8.283 -15.052 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.046 7.097 -13.735 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.595 7.247 -14.599 1.00 0.00 H new ATOM 386 N ALA A 26 2.400 4.145 -14.048 1.00 0.00 N ATOM 387 CA ALA A 26 1.647 3.666 -12.884 1.00 0.00 C ATOM 388 C ALA A 26 2.179 2.329 -12.316 1.00 0.00 C ATOM 389 O ALA A 26 2.303 2.180 -11.099 1.00 0.00 O ATOM 390 CB ALA A 26 0.179 3.546 -13.279 1.00 0.00 C ATOM 0 H ALA A 26 1.842 4.226 -14.898 1.00 0.00 H new ATOM 0 HA ALA A 26 1.771 4.390 -12.079 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.399 3.191 -12.426 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.195 4.521 -13.590 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.081 2.840 -14.104 1.00 0.00 H new ATOM 396 N GLU A 27 2.608 1.425 -13.208 1.00 0.00 N ATOM 397 CA GLU A 27 3.342 0.190 -12.843 1.00 0.00 C ATOM 398 C GLU A 27 4.681 0.522 -12.197 1.00 0.00 C ATOM 399 O GLU A 27 5.042 -0.098 -11.200 1.00 0.00 O ATOM 400 CB GLU A 27 3.592 -0.761 -14.029 1.00 0.00 C ATOM 401 CG GLU A 27 4.118 -2.134 -13.598 1.00 0.00 C ATOM 402 CD GLU A 27 4.665 -2.898 -14.794 1.00 0.00 C ATOM 403 OE1 GLU A 27 3.867 -3.387 -15.623 1.00 0.00 O ATOM 404 OE2 GLU A 27 5.907 -3.037 -14.879 1.00 0.00 O ATOM 0 H GLU A 27 2.458 1.525 -14.212 1.00 0.00 H new ATOM 0 HA GLU A 27 2.691 -0.327 -12.138 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.663 -0.892 -14.584 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.308 -0.302 -14.711 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.901 -2.011 -12.850 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.317 -2.706 -13.130 1.00 0.00 H new ATOM 411 N LYS A 28 5.409 1.523 -12.699 1.00 0.00 N ATOM 412 CA LYS A 28 6.673 1.949 -12.078 1.00 0.00 C ATOM 413 C LYS A 28 6.456 2.522 -10.660 1.00 0.00 C ATOM 414 O LYS A 28 7.147 2.100 -9.731 1.00 0.00 O ATOM 415 CB LYS A 28 7.374 2.954 -13.012 1.00 0.00 C ATOM 416 CG LYS A 28 8.745 3.433 -12.512 1.00 0.00 C ATOM 417 CD LYS A 28 9.360 4.402 -13.534 1.00 0.00 C ATOM 418 CE LYS A 28 10.710 4.940 -13.050 1.00 0.00 C ATOM 419 NZ LYS A 28 11.313 5.865 -14.032 1.00 0.00 N ATOM 0 H LYS A 28 5.149 2.054 -13.530 1.00 0.00 H new ATOM 0 HA LYS A 28 7.318 1.080 -11.947 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.498 2.495 -13.993 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.726 3.820 -13.146 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.638 3.927 -11.546 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.406 2.580 -12.362 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.491 3.892 -14.489 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.676 5.233 -13.707 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.577 5.455 -12.099 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.390 4.107 -12.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.225 6.209 -13.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.463 5.366 -14.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.675 6.672 -14.186 1.00 0.00 H new ATOM 433 N VAL A 29 5.474 3.412 -10.445 1.00 0.00 N ATOM 434 CA VAL A 29 5.111 3.912 -9.096 1.00 0.00 C ATOM 435 C VAL A 29 4.776 2.751 -8.154 1.00 0.00 C ATOM 436 O VAL A 29 5.362 2.626 -7.079 1.00 0.00 O ATOM 437 CB VAL A 29 3.925 4.903 -9.164 1.00 0.00 C ATOM 438 CG1 VAL A 29 3.412 5.328 -7.781 1.00 0.00 C ATOM 439 CG2 VAL A 29 4.324 6.185 -9.906 1.00 0.00 C ATOM 0 H VAL A 29 4.907 3.808 -11.195 1.00 0.00 H new ATOM 0 HA VAL A 29 5.977 4.443 -8.700 1.00 0.00 H new ATOM 0 HB VAL A 29 3.136 4.365 -9.690 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.581 6.023 -7.899 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.075 4.449 -7.232 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.216 5.815 -7.228 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.473 6.865 -9.940 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.152 6.665 -9.384 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.631 5.937 -10.922 1.00 0.00 H new ATOM 449 N PHE A 30 3.881 1.864 -8.588 1.00 0.00 N ATOM 450 CA PHE A 30 3.488 0.708 -7.784 1.00 0.00 C ATOM 451 C PHE A 30 4.670 -0.218 -7.447 1.00 0.00 C ATOM 452 O PHE A 30 4.805 -0.676 -6.310 1.00 0.00 O ATOM 453 CB PHE A 30 2.413 -0.111 -8.497 1.00 0.00 C ATOM 454 CG PHE A 30 1.074 0.566 -8.764 1.00 0.00 C ATOM 455 CD1 PHE A 30 0.520 1.501 -7.861 1.00 0.00 C ATOM 456 CD2 PHE A 30 0.368 0.241 -9.940 1.00 0.00 C ATOM 457 CE1 PHE A 30 -0.717 2.109 -8.145 1.00 0.00 C ATOM 458 CE2 PHE A 30 -0.865 0.854 -10.222 1.00 0.00 C ATOM 459 CZ PHE A 30 -1.407 1.787 -9.324 1.00 0.00 C ATOM 0 H PHE A 30 3.414 1.924 -9.493 1.00 0.00 H new ATOM 0 HA PHE A 30 3.098 1.114 -6.851 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.820 -0.440 -9.453 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.225 -1.007 -7.905 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.047 1.749 -6.951 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.777 -0.484 -10.629 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.136 2.825 -7.454 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.396 0.607 -11.130 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.355 2.257 -9.540 1.00 0.00 H new ATOM 469 N LYS A 31 5.566 -0.448 -8.410 1.00 0.00 N ATOM 470 CA LYS A 31 6.794 -1.198 -8.163 1.00 0.00 C ATOM 471 C LYS A 31 7.743 -0.470 -7.203 1.00 0.00 C ATOM 472 O LYS A 31 8.443 -1.135 -6.445 1.00 0.00 O ATOM 473 CB LYS A 31 7.496 -1.562 -9.479 1.00 0.00 C ATOM 474 CG LYS A 31 6.795 -2.768 -10.119 1.00 0.00 C ATOM 475 CD LYS A 31 7.452 -3.186 -11.436 1.00 0.00 C ATOM 476 CE LYS A 31 6.799 -4.484 -11.924 1.00 0.00 C ATOM 477 NZ LYS A 31 7.301 -4.881 -13.253 1.00 0.00 N ATOM 0 H LYS A 31 5.461 -0.123 -9.371 1.00 0.00 H new ATOM 0 HA LYS A 31 6.504 -2.125 -7.669 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.475 -0.712 -10.161 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.544 -1.795 -9.292 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.812 -3.607 -9.424 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.748 -2.524 -10.298 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.334 -2.400 -12.182 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.523 -3.333 -11.294 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.995 -5.282 -11.208 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.718 -4.353 -11.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.042 -5.870 -13.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.880 -4.269 -13.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.336 -4.784 -13.276 1.00 0.00 H new ATOM 491 N GLN A 32 7.763 0.865 -7.124 1.00 0.00 N ATOM 492 CA GLN A 32 8.591 1.583 -6.139 1.00 0.00 C ATOM 493 C GLN A 32 8.145 1.299 -4.690 1.00 0.00 C ATOM 494 O GLN A 32 8.974 1.032 -3.818 1.00 0.00 O ATOM 495 CB GLN A 32 8.515 3.094 -6.448 1.00 0.00 C ATOM 496 CG GLN A 32 9.670 3.924 -5.877 1.00 0.00 C ATOM 497 CD GLN A 32 11.001 3.588 -6.516 1.00 0.00 C ATOM 498 OE1 GLN A 32 11.855 2.945 -5.920 1.00 0.00 O ATOM 499 NE2 GLN A 32 11.219 4.010 -7.744 1.00 0.00 N ATOM 0 H GLN A 32 7.215 1.475 -7.731 1.00 0.00 H new ATOM 0 HA GLN A 32 9.620 1.232 -6.220 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.489 3.229 -7.529 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.576 3.484 -6.055 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.458 4.983 -6.023 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.735 3.757 -4.802 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.502 4.545 -8.234 1.00 0.00 H new ATOM 0 HE22 GLN A 32 12.105 3.802 -8.205 1.00 0.00 H new ATOM 508 N TYR A 33 6.831 1.316 -4.442 1.00 0.00 N ATOM 509 CA TYR A 33 6.233 1.049 -3.121 1.00 0.00 C ATOM 510 C TYR A 33 6.144 -0.457 -2.767 1.00 0.00 C ATOM 511 O TYR A 33 6.154 -0.811 -1.589 1.00 0.00 O ATOM 512 CB TYR A 33 4.826 1.681 -3.069 1.00 0.00 C ATOM 513 CG TYR A 33 4.776 3.198 -2.895 1.00 0.00 C ATOM 514 CD1 TYR A 33 5.311 4.061 -3.874 1.00 0.00 C ATOM 515 CD2 TYR A 33 4.157 3.758 -1.758 1.00 0.00 C ATOM 516 CE1 TYR A 33 5.265 5.456 -3.703 1.00 0.00 C ATOM 517 CE2 TYR A 33 4.100 5.156 -1.594 1.00 0.00 C ATOM 518 CZ TYR A 33 4.662 6.004 -2.564 1.00 0.00 C ATOM 519 OH TYR A 33 4.618 7.356 -2.414 1.00 0.00 O ATOM 0 H TYR A 33 6.138 1.519 -5.163 1.00 0.00 H new ATOM 0 HA TYR A 33 6.894 1.496 -2.378 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.300 1.424 -3.989 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.275 1.223 -2.248 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.761 3.646 -4.764 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.724 3.111 -1.009 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.695 6.106 -4.451 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.623 5.577 -0.721 1.00 0.00 H new ATOM 0 HH TYR A 33 5.395 7.759 -2.854 1.00 0.00 H new ATOM 529 N PHE A 34 6.088 -1.313 -3.796 1.00 0.00 N ATOM 530 CA PHE A 34 5.783 -2.757 -3.669 1.00 0.00 C ATOM 531 C PHE A 34 6.742 -3.768 -4.345 1.00 0.00 C ATOM 532 O PHE A 34 6.332 -4.880 -4.686 1.00 0.00 O ATOM 533 CB PHE A 34 4.298 -3.013 -3.987 1.00 0.00 C ATOM 534 CG PHE A 34 3.346 -2.166 -3.158 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.310 -2.322 -1.757 1.00 0.00 C ATOM 536 CD2 PHE A 34 2.540 -1.189 -3.771 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.490 -1.490 -0.975 1.00 0.00 C ATOM 538 CE2 PHE A 34 1.715 -0.364 -2.987 1.00 0.00 C ATOM 539 CZ PHE A 34 1.694 -0.511 -1.589 1.00 0.00 C ATOM 0 H PHE A 34 6.255 -1.023 -4.760 1.00 0.00 H new ATOM 0 HA PHE A 34 5.983 -2.981 -2.621 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.122 -2.815 -5.044 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.075 -4.067 -3.819 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.914 -3.082 -1.284 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.555 -1.073 -4.845 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.473 -1.604 0.099 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.096 0.384 -3.460 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.065 0.129 -0.988 1.00 0.00 H new ATOM 549 N ASN A 35 8.031 -3.443 -4.489 1.00 0.00 N ATOM 550 CA ASN A 35 9.069 -4.381 -4.910 1.00 0.00 C ATOM 551 C ASN A 35 9.856 -4.908 -3.685 1.00 0.00 C ATOM 552 O ASN A 35 10.560 -4.153 -3.011 1.00 0.00 O ATOM 553 CB ASN A 35 9.962 -3.668 -5.933 1.00 0.00 C ATOM 554 CG ASN A 35 11.224 -4.447 -6.225 1.00 0.00 C ATOM 555 OD1 ASN A 35 11.231 -5.422 -6.965 1.00 0.00 O ATOM 556 ND2 ASN A 35 12.315 -4.040 -5.617 1.00 0.00 N ATOM 0 H ASN A 35 8.385 -2.503 -4.312 1.00 0.00 H new ATOM 0 HA ASN A 35 8.633 -5.261 -5.383 1.00 0.00 H new ATOM 0 HB2 ASN A 35 9.406 -3.520 -6.858 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.225 -2.679 -5.557 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.193 -4.539 -5.757 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.284 -3.225 -5.005 1.00 0.00 H new ATOM 563 N ASP A 36 9.753 -6.219 -3.428 1.00 0.00 N ATOM 564 CA ASP A 36 10.555 -7.004 -2.460 1.00 0.00 C ATOM 565 C ASP A 36 10.538 -6.540 -0.986 1.00 0.00 C ATOM 566 O ASP A 36 11.459 -6.839 -0.224 1.00 0.00 O ATOM 567 CB ASP A 36 11.984 -7.154 -3.013 1.00 0.00 C ATOM 568 CG ASP A 36 12.839 -8.266 -2.359 1.00 0.00 C ATOM 569 OD1 ASP A 36 12.348 -9.412 -2.213 1.00 0.00 O ATOM 570 OD2 ASP A 36 14.026 -8.006 -2.042 1.00 0.00 O ATOM 0 H ASP A 36 9.070 -6.800 -3.915 1.00 0.00 H new ATOM 0 HA ASP A 36 10.058 -7.971 -2.383 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.922 -7.350 -4.083 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.503 -6.203 -2.893 1.00 0.00 H new ATOM 575 N ASN A 37 9.486 -5.838 -0.552 1.00 0.00 N ATOM 576 CA ASN A 37 9.272 -5.541 0.879 1.00 0.00 C ATOM 577 C ASN A 37 9.185 -6.871 1.682 1.00 0.00 C ATOM 578 O ASN A 37 9.718 -7.032 2.782 1.00 0.00 O ATOM 579 CB ASN A 37 7.956 -4.744 1.057 1.00 0.00 C ATOM 580 CG ASN A 37 7.854 -3.415 0.320 1.00 0.00 C ATOM 581 OD1 ASN A 37 8.782 -2.917 -0.303 1.00 0.00 O ATOM 582 ND2 ASN A 37 6.681 -2.819 0.360 1.00 0.00 N ATOM 0 H ASN A 37 8.765 -5.462 -1.168 1.00 0.00 H new ATOM 0 HA ASN A 37 10.107 -4.947 1.250 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.129 -5.376 0.733 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.815 -4.554 2.121 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.541 -1.936 -0.131 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.912 -3.240 0.881 1.00 0.00 H new ATOM 589 N GLY A 38 8.462 -7.802 1.055 1.00 0.00 N ATOM 590 CA GLY A 38 8.043 -9.107 1.598 1.00 0.00 C ATOM 591 C GLY A 38 6.803 -9.712 0.933 1.00 0.00 C ATOM 592 O GLY A 38 6.012 -10.388 1.592 1.00 0.00 O ATOM 0 H GLY A 38 8.132 -7.662 0.100 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.871 -9.809 1.497 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.848 -8.995 2.665 1.00 0.00 H new ATOM 596 N VAL A 39 6.603 -9.407 -0.351 1.00 0.00 N ATOM 597 CA VAL A 39 5.407 -9.745 -1.153 1.00 0.00 C ATOM 598 C VAL A 39 5.786 -9.928 -2.637 1.00 0.00 C ATOM 599 O VAL A 39 5.109 -9.483 -3.563 1.00 0.00 O ATOM 600 CB VAL A 39 4.280 -8.719 -0.889 1.00 0.00 C ATOM 601 CG1 VAL A 39 4.611 -7.308 -1.392 1.00 0.00 C ATOM 602 CG2 VAL A 39 2.908 -9.183 -1.397 1.00 0.00 C ATOM 0 H VAL A 39 7.298 -8.894 -0.893 1.00 0.00 H new ATOM 0 HA VAL A 39 5.001 -10.708 -0.843 1.00 0.00 H new ATOM 0 HB VAL A 39 4.214 -8.659 0.197 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.778 -6.639 -1.175 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.508 -6.944 -0.891 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.782 -7.336 -2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.162 -8.418 -1.181 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.956 -9.349 -2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.630 -10.112 -0.898 1.00 0.00 H new ATOM 612 N ASP A 40 6.935 -10.579 -2.858 1.00 0.00 N ATOM 613 CA ASP A 40 7.516 -11.007 -4.153 1.00 0.00 C ATOM 614 C ASP A 40 6.675 -12.077 -4.899 1.00 0.00 C ATOM 615 O ASP A 40 7.183 -13.092 -5.382 1.00 0.00 O ATOM 616 CB ASP A 40 8.975 -11.454 -3.903 1.00 0.00 C ATOM 617 CG ASP A 40 9.798 -11.720 -5.186 1.00 0.00 C ATOM 618 OD1 ASP A 40 9.729 -10.906 -6.141 1.00 0.00 O ATOM 619 OD2 ASP A 40 10.552 -12.724 -5.221 1.00 0.00 O ATOM 0 H ASP A 40 7.537 -10.845 -2.078 1.00 0.00 H new ATOM 0 HA ASP A 40 7.504 -10.158 -4.836 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.480 -10.687 -3.316 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.964 -12.362 -3.300 1.00 0.00 H new ATOM 624 N GLY A 41 5.359 -11.873 -4.933 1.00 0.00 N ATOM 625 CA GLY A 41 4.353 -12.710 -5.585 1.00 0.00 C ATOM 626 C GLY A 41 4.221 -12.464 -7.093 1.00 0.00 C ATOM 627 O GLY A 41 5.020 -11.758 -7.717 1.00 0.00 O ATOM 0 H GLY A 41 4.939 -11.064 -4.475 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.603 -13.758 -5.418 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.387 -12.534 -5.112 1.00 0.00 H new ATOM 631 N GLU A 42 3.189 -13.064 -7.687 1.00 0.00 N ATOM 632 CA GLU A 42 2.895 -12.996 -9.135 1.00 0.00 C ATOM 633 C GLU A 42 2.187 -11.693 -9.513 1.00 0.00 C ATOM 634 O GLU A 42 1.052 -11.461 -9.096 1.00 0.00 O ATOM 635 CB GLU A 42 2.053 -14.211 -9.561 1.00 0.00 C ATOM 636 CG GLU A 42 1.849 -14.278 -11.075 1.00 0.00 C ATOM 637 CD GLU A 42 1.214 -15.608 -11.456 1.00 0.00 C ATOM 638 OE1 GLU A 42 -0.025 -15.736 -11.338 1.00 0.00 O ATOM 639 OE2 GLU A 42 1.957 -16.520 -11.885 1.00 0.00 O ATOM 0 H GLU A 42 2.513 -13.626 -7.170 1.00 0.00 H new ATOM 0 HA GLU A 42 3.846 -13.014 -9.668 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.542 -15.125 -9.222 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.082 -14.167 -9.068 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.213 -13.455 -11.401 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.806 -14.163 -11.585 1.00 0.00 H new ATOM 646 N TRP A 43 2.839 -10.857 -10.322 1.00 0.00 N ATOM 647 CA TRP A 43 2.237 -9.634 -10.875 1.00 0.00 C ATOM 648 C TRP A 43 1.343 -9.965 -12.088 1.00 0.00 C ATOM 649 O TRP A 43 1.699 -10.777 -12.949 1.00 0.00 O ATOM 650 CB TRP A 43 3.326 -8.618 -11.262 1.00 0.00 C ATOM 651 CG TRP A 43 3.947 -7.863 -10.120 1.00 0.00 C ATOM 652 CD1 TRP A 43 4.740 -8.400 -9.163 1.00 0.00 C ATOM 653 CD2 TRP A 43 3.827 -6.441 -9.777 1.00 0.00 C ATOM 654 NE1 TRP A 43 5.110 -7.427 -8.257 1.00 0.00 N ATOM 655 CE2 TRP A 43 4.568 -6.202 -8.578 1.00 0.00 C ATOM 656 CE3 TRP A 43 3.155 -5.331 -10.342 1.00 0.00 C ATOM 657 CZ2 TRP A 43 4.631 -4.940 -7.970 1.00 0.00 C ATOM 658 CZ3 TRP A 43 3.214 -4.057 -9.739 1.00 0.00 C ATOM 659 CH2 TRP A 43 3.943 -3.863 -8.551 1.00 0.00 C ATOM 0 H TRP A 43 3.804 -11.006 -10.616 1.00 0.00 H new ATOM 0 HA TRP A 43 1.611 -9.185 -10.104 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.116 -9.145 -11.797 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.895 -7.898 -11.958 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.039 -9.437 -9.116 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.710 -7.594 -7.450 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.587 -5.462 -11.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.203 -4.798 -7.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.696 -3.225 -10.192 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.973 -2.888 -8.087 1.00 0.00 H new ATOM 670 N THR A 44 0.163 -9.348 -12.138 1.00 0.00 N ATOM 671 CA THR A 44 -0.882 -9.514 -13.168 1.00 0.00 C ATOM 672 C THR A 44 -1.492 -8.143 -13.519 1.00 0.00 C ATOM 673 O THR A 44 -1.477 -7.246 -12.672 1.00 0.00 O ATOM 674 CB THR A 44 -1.993 -10.452 -12.642 1.00 0.00 C ATOM 675 OG1 THR A 44 -1.462 -11.610 -12.028 1.00 0.00 O ATOM 676 CG2 THR A 44 -2.963 -10.937 -13.722 1.00 0.00 C ATOM 0 H THR A 44 -0.113 -8.677 -11.421 1.00 0.00 H new ATOM 0 HA THR A 44 -0.434 -9.950 -14.061 1.00 0.00 H new ATOM 0 HB THR A 44 -2.532 -9.832 -11.926 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.195 -12.176 -11.708 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.711 -11.590 -13.272 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.457 -10.080 -14.179 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.413 -11.488 -14.485 1.00 0.00 H new ATOM 684 N TYR A 45 -2.064 -7.952 -14.716 1.00 0.00 N ATOM 685 CA TYR A 45 -2.749 -6.707 -15.123 1.00 0.00 C ATOM 686 C TYR A 45 -4.009 -6.955 -15.977 1.00 0.00 C ATOM 687 O TYR A 45 -4.025 -7.827 -16.850 1.00 0.00 O ATOM 688 CB TYR A 45 -1.766 -5.823 -15.907 1.00 0.00 C ATOM 689 CG TYR A 45 -2.387 -4.585 -16.539 1.00 0.00 C ATOM 690 CD1 TYR A 45 -2.812 -3.513 -15.731 1.00 0.00 C ATOM 691 CD2 TYR A 45 -2.574 -4.515 -17.935 1.00 0.00 C ATOM 692 CE1 TYR A 45 -3.410 -2.378 -16.310 1.00 0.00 C ATOM 693 CE2 TYR A 45 -3.173 -3.378 -18.512 1.00 0.00 C ATOM 694 CZ TYR A 45 -3.596 -2.313 -17.702 1.00 0.00 C ATOM 695 OH TYR A 45 -4.185 -1.218 -18.257 1.00 0.00 O ATOM 0 H TYR A 45 -2.066 -8.667 -15.444 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.080 -6.212 -14.210 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.966 -5.509 -15.236 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.306 -6.423 -16.692 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.678 -3.562 -14.660 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -2.257 -5.335 -18.563 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.726 -1.556 -15.684 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.307 -3.326 -19.582 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.650 -1.478 -19.080 1.00 0.00 H new ATOM 705 N ASP A 46 -5.045 -6.145 -15.737 1.00 0.00 N ATOM 706 CA ASP A 46 -6.325 -6.097 -16.458 1.00 0.00 C ATOM 707 C ASP A 46 -6.558 -4.738 -17.133 1.00 0.00 C ATOM 708 O ASP A 46 -6.748 -3.728 -16.450 1.00 0.00 O ATOM 709 CB ASP A 46 -7.463 -6.372 -15.457 1.00 0.00 C ATOM 710 CG ASP A 46 -8.826 -6.551 -16.144 1.00 0.00 C ATOM 711 OD1 ASP A 46 -9.316 -5.557 -16.723 1.00 0.00 O ATOM 712 OD2 ASP A 46 -9.392 -7.670 -16.105 1.00 0.00 O ATOM 0 H ASP A 46 -5.011 -5.458 -14.983 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.303 -6.853 -17.243 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.229 -7.269 -14.884 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.524 -5.547 -14.747 1.00 0.00 H new ATOM 717 N ASP A 47 -6.600 -4.689 -18.468 1.00 0.00 N ATOM 718 CA ASP A 47 -6.874 -3.491 -19.282 1.00 0.00 C ATOM 719 C ASP A 47 -8.362 -3.132 -19.471 1.00 0.00 C ATOM 720 O ASP A 47 -8.667 -2.064 -20.004 1.00 0.00 O ATOM 721 CB ASP A 47 -6.188 -3.686 -20.651 1.00 0.00 C ATOM 722 CG ASP A 47 -5.897 -2.360 -21.376 1.00 0.00 C ATOM 723 OD1 ASP A 47 -5.237 -1.479 -20.773 1.00 0.00 O ATOM 724 OD2 ASP A 47 -6.347 -2.186 -22.533 1.00 0.00 O ATOM 0 H ASP A 47 -6.437 -5.518 -19.040 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.471 -2.641 -18.732 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.253 -4.228 -20.508 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.823 -4.307 -21.283 1.00 0.00 H new ATOM 729 N ALA A 48 -9.273 -4.033 -19.093 1.00 0.00 N ATOM 730 CA ALA A 48 -10.717 -3.718 -19.082 1.00 0.00 C ATOM 731 C ALA A 48 -11.163 -2.844 -17.873 1.00 0.00 C ATOM 732 O ALA A 48 -12.172 -2.139 -17.952 1.00 0.00 O ATOM 733 CB ALA A 48 -11.524 -5.019 -19.155 1.00 0.00 C ATOM 0 H ALA A 48 -9.046 -4.981 -18.792 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.917 -3.107 -19.962 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.589 -4.787 -19.147 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.275 -5.550 -20.074 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.282 -5.646 -18.296 1.00 0.00 H new ATOM 739 N THR A 49 -10.411 -2.889 -16.763 1.00 0.00 N ATOM 740 CA THR A 49 -10.597 -2.064 -15.548 1.00 0.00 C ATOM 741 C THR A 49 -9.329 -1.331 -15.050 1.00 0.00 C ATOM 742 O THR A 49 -9.324 -0.790 -13.940 1.00 0.00 O ATOM 743 CB THR A 49 -11.319 -2.855 -14.433 1.00 0.00 C ATOM 744 OG1 THR A 49 -11.819 -1.998 -13.427 1.00 0.00 O ATOM 745 CG2 THR A 49 -10.472 -3.933 -13.754 1.00 0.00 C ATOM 0 H THR A 49 -9.620 -3.528 -16.679 1.00 0.00 H new ATOM 0 HA THR A 49 -11.253 -1.248 -15.853 1.00 0.00 H new ATOM 0 HB THR A 49 -12.129 -3.358 -14.961 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.170 -1.284 -13.253 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.065 -4.432 -12.987 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.149 -4.663 -14.496 1.00 0.00 H new ATOM 0 HG23 THR A 49 -9.598 -3.473 -13.294 1.00 0.00 H new ATOM 753 N LYS A 50 -8.246 -1.296 -15.839 1.00 0.00 N ATOM 754 CA LYS A 50 -7.018 -0.514 -15.584 1.00 0.00 C ATOM 755 C LYS A 50 -6.404 -0.782 -14.191 1.00 0.00 C ATOM 756 O LYS A 50 -6.093 0.129 -13.420 1.00 0.00 O ATOM 757 CB LYS A 50 -7.242 0.987 -15.862 1.00 0.00 C ATOM 758 CG LYS A 50 -7.844 1.348 -17.229 1.00 0.00 C ATOM 759 CD LYS A 50 -7.155 0.671 -18.422 1.00 0.00 C ATOM 760 CE LYS A 50 -7.672 1.276 -19.733 1.00 0.00 C ATOM 761 NZ LYS A 50 -7.384 0.407 -20.888 1.00 0.00 N ATOM 0 H LYS A 50 -8.195 -1.830 -16.706 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.269 -0.864 -16.294 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.896 1.384 -15.086 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.285 1.499 -15.765 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.899 1.075 -17.231 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.794 2.429 -17.361 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.075 0.801 -18.352 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.348 -0.402 -18.405 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.747 1.438 -19.659 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.213 2.252 -19.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.495 0.951 -21.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.409 0.052 -20.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.045 -0.396 -20.891 1.00 0.00 H new ATOM 775 N THR A 51 -6.286 -2.064 -13.853 1.00 0.00 N ATOM 776 CA THR A 51 -5.902 -2.525 -12.510 1.00 0.00 C ATOM 777 C THR A 51 -4.828 -3.612 -12.574 1.00 0.00 C ATOM 778 O THR A 51 -4.879 -4.523 -13.400 1.00 0.00 O ATOM 779 CB THR A 51 -7.140 -3.017 -11.734 1.00 0.00 C ATOM 780 OG1 THR A 51 -8.071 -1.968 -11.553 1.00 0.00 O ATOM 781 CG2 THR A 51 -6.827 -3.548 -10.333 1.00 0.00 C ATOM 0 H THR A 51 -6.456 -2.826 -14.509 1.00 0.00 H new ATOM 0 HA THR A 51 -5.474 -1.677 -11.976 1.00 0.00 H new ATOM 0 HB THR A 51 -7.536 -3.827 -12.347 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.417 -1.683 -12.425 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.750 -3.874 -9.853 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.140 -4.391 -10.408 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.369 -2.758 -9.738 1.00 0.00 H new ATOM 789 N PHE A 52 -3.861 -3.518 -11.670 1.00 0.00 N ATOM 790 CA PHE A 52 -2.765 -4.449 -11.429 1.00 0.00 C ATOM 791 C PHE A 52 -3.081 -5.282 -10.178 1.00 0.00 C ATOM 792 O PHE A 52 -3.714 -4.794 -9.241 1.00 0.00 O ATOM 793 CB PHE A 52 -1.457 -3.673 -11.229 1.00 0.00 C ATOM 794 CG PHE A 52 -0.924 -3.018 -12.487 1.00 0.00 C ATOM 795 CD1 PHE A 52 -1.377 -1.741 -12.872 1.00 0.00 C ATOM 796 CD2 PHE A 52 0.015 -3.698 -13.284 1.00 0.00 C ATOM 797 CE1 PHE A 52 -0.892 -1.145 -14.049 1.00 0.00 C ATOM 798 CE2 PHE A 52 0.492 -3.107 -14.466 1.00 0.00 C ATOM 799 CZ PHE A 52 0.037 -1.833 -14.849 1.00 0.00 C ATOM 0 H PHE A 52 -3.820 -2.722 -11.033 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.650 -5.111 -12.287 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.616 -2.905 -10.472 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.700 -4.353 -10.839 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.099 -1.219 -12.261 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.369 -4.674 -12.987 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.232 -0.161 -14.338 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.209 -3.632 -15.081 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.402 -1.382 -15.760 1.00 0.00 H new ATOM 809 N THR A 53 -2.666 -6.541 -10.161 1.00 0.00 N ATOM 810 CA THR A 53 -2.798 -7.436 -9.000 1.00 0.00 C ATOM 811 C THR A 53 -1.440 -8.064 -8.664 1.00 0.00 C ATOM 812 O THR A 53 -0.633 -8.315 -9.561 1.00 0.00 O ATOM 813 CB THR A 53 -3.855 -8.528 -9.269 1.00 0.00 C ATOM 814 OG1 THR A 53 -5.081 -7.950 -9.665 1.00 0.00 O ATOM 815 CG2 THR A 53 -4.160 -9.415 -8.061 1.00 0.00 C ATOM 0 H THR A 53 -2.219 -6.985 -10.963 1.00 0.00 H new ATOM 0 HA THR A 53 -3.132 -6.850 -8.144 1.00 0.00 H new ATOM 0 HB THR A 53 -3.416 -9.144 -10.054 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.737 -8.658 -9.833 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.912 -10.155 -8.334 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.249 -9.923 -7.743 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.536 -8.800 -7.244 1.00 0.00 H new ATOM 823 N VAL A 54 -1.194 -8.315 -7.378 1.00 0.00 N ATOM 824 CA VAL A 54 0.017 -8.973 -6.841 1.00 0.00 C ATOM 825 C VAL A 54 -0.401 -10.052 -5.840 1.00 0.00 C ATOM 826 O VAL A 54 -1.124 -9.749 -4.890 1.00 0.00 O ATOM 827 CB VAL A 54 0.987 -7.971 -6.181 1.00 0.00 C ATOM 828 CG1 VAL A 54 2.297 -8.665 -5.778 1.00 0.00 C ATOM 829 CG2 VAL A 54 1.352 -6.827 -7.132 1.00 0.00 C ATOM 0 H VAL A 54 -1.855 -8.058 -6.645 1.00 0.00 H new ATOM 0 HA VAL A 54 0.554 -9.424 -7.675 1.00 0.00 H new ATOM 0 HB VAL A 54 0.472 -7.576 -5.305 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.966 -7.939 -5.315 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.082 -9.465 -5.069 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.774 -9.084 -6.664 1.00 0.00 H new ATOM 0 HG21 VAL A 54 2.036 -6.142 -6.631 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.832 -7.233 -8.023 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.448 -6.290 -7.420 1.00 0.00 H new ATOM 839 N THR A 55 0.008 -11.296 -6.106 1.00 0.00 N ATOM 840 CA THR A 55 -0.414 -12.468 -5.306 1.00 0.00 C ATOM 841 C THR A 55 0.684 -13.472 -4.913 1.00 0.00 C ATOM 842 O THR A 55 1.219 -14.183 -5.771 1.00 0.00 O ATOM 843 CB THR A 55 -1.609 -13.188 -5.973 1.00 0.00 C ATOM 844 OG1 THR A 55 -2.676 -12.291 -6.194 1.00 0.00 O ATOM 845 CG2 THR A 55 -2.185 -14.329 -5.127 1.00 0.00 C ATOM 0 H THR A 55 0.637 -11.527 -6.875 1.00 0.00 H new ATOM 0 HA THR A 55 -0.715 -12.034 -4.353 1.00 0.00 H new ATOM 0 HB THR A 55 -1.205 -13.589 -6.903 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.421 -12.767 -6.618 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.020 -14.789 -5.656 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.412 -15.077 -4.950 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.534 -13.934 -4.173 1.00 0.00 H new ATOM 853 N GLU A 56 0.997 -13.538 -3.607 1.00 0.00 N ATOM 854 CA GLU A 56 1.861 -14.587 -3.008 1.00 0.00 C ATOM 855 C GLU A 56 1.197 -15.968 -3.061 1.00 0.00 C ATOM 856 O GLU A 56 1.831 -16.901 -3.595 1.00 0.00 O ATOM 857 CB GLU A 56 2.259 -14.302 -1.554 1.00 0.00 C ATOM 858 CG GLU A 56 3.265 -13.161 -1.433 1.00 0.00 C ATOM 859 CD GLU A 56 3.857 -13.151 -0.030 1.00 0.00 C ATOM 860 OE1 GLU A 56 3.201 -12.616 0.891 1.00 0.00 O ATOM 861 OE2 GLU A 56 4.966 -13.704 0.141 1.00 0.00 O ATOM 862 OXT GLU A 56 0.066 -16.115 -2.546 1.00 0.00 O ATOM 0 H GLU A 56 0.657 -12.860 -2.925 1.00 0.00 H new ATOM 0 HA GLU A 56 2.764 -14.577 -3.618 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.366 -14.057 -0.978 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.684 -15.204 -1.114 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.057 -13.281 -2.172 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.777 -12.209 -1.640 1.00 0.00 H new TER 869 GLU A 56 ATOM 870 N MET B 1 -4.314 -9.352 16.763 1.00 0.00 N ATOM 871 CA MET B 1 -5.470 -8.480 16.440 1.00 0.00 C ATOM 872 C MET B 1 -5.252 -7.786 15.097 1.00 0.00 C ATOM 873 O MET B 1 -4.114 -7.554 14.695 1.00 0.00 O ATOM 874 CB MET B 1 -5.716 -7.489 17.593 1.00 0.00 C ATOM 875 CG MET B 1 -6.950 -6.592 17.422 1.00 0.00 C ATOM 876 SD MET B 1 -7.545 -5.809 18.953 1.00 0.00 S ATOM 877 CE MET B 1 -6.032 -5.002 19.542 1.00 0.00 C ATOM 0 H1 MET B 1 -4.498 -9.857 17.654 1.00 0.00 H new ATOM 0 H2 MET B 1 -4.174 -10.041 15.997 1.00 0.00 H new ATOM 0 H3 MET B 1 -3.458 -8.770 16.865 1.00 0.00 H new ATOM 0 HA MET B 1 -6.372 -9.084 16.337 1.00 0.00 H new ATOM 0 HB2 MET B 1 -5.820 -8.052 18.521 1.00 0.00 H new ATOM 0 HB3 MET B 1 -4.836 -6.855 17.702 1.00 0.00 H new ATOM 0 HG2 MET B 1 -6.716 -5.811 16.699 1.00 0.00 H new ATOM 0 HG3 MET B 1 -7.758 -7.188 16.998 1.00 0.00 H new ATOM 0 HE1 MET B 1 -6.251 -4.435 20.447 1.00 0.00 H new ATOM 0 HE2 MET B 1 -5.278 -5.758 19.761 1.00 0.00 H new ATOM 0 HE3 MET B 1 -5.657 -4.327 18.773 1.00 0.00 H new ATOM 889 N GLN B 2 -6.336 -7.486 14.374 1.00 0.00 N ATOM 890 CA GLN B 2 -6.280 -6.768 13.088 1.00 0.00 C ATOM 891 C GLN B 2 -5.980 -5.268 13.294 1.00 0.00 C ATOM 892 O GLN B 2 -6.627 -4.609 14.114 1.00 0.00 O ATOM 893 CB GLN B 2 -7.616 -6.930 12.334 1.00 0.00 C ATOM 894 CG GLN B 2 -7.499 -6.636 10.830 1.00 0.00 C ATOM 895 CD GLN B 2 -7.158 -7.878 10.036 1.00 0.00 C ATOM 896 OE1 GLN B 2 -8.031 -8.622 9.607 1.00 0.00 O ATOM 897 NE2 GLN B 2 -5.891 -8.142 9.814 1.00 0.00 N ATOM 0 H GLN B 2 -7.283 -7.734 14.662 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.471 -7.201 12.499 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -7.983 -7.947 12.472 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -8.357 -6.262 12.772 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -8.439 -6.220 10.467 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -6.732 -5.879 10.667 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -5.169 -7.518 10.174 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -5.629 -8.971 9.281 1.00 0.00 H new ATOM 906 N TYR B 3 -5.032 -4.729 12.529 1.00 0.00 N ATOM 907 CA TYR B 3 -4.729 -3.293 12.413 1.00 0.00 C ATOM 908 C TYR B 3 -4.786 -2.821 10.949 1.00 0.00 C ATOM 909 O TYR B 3 -4.631 -3.631 10.029 1.00 0.00 O ATOM 910 CB TYR B 3 -3.352 -3.010 13.019 1.00 0.00 C ATOM 911 CG TYR B 3 -3.250 -3.265 14.514 1.00 0.00 C ATOM 912 CD1 TYR B 3 -2.948 -4.556 14.990 1.00 0.00 C ATOM 913 CD2 TYR B 3 -3.450 -2.215 15.429 1.00 0.00 C ATOM 914 CE1 TYR B 3 -2.874 -4.803 16.373 1.00 0.00 C ATOM 915 CE2 TYR B 3 -3.374 -2.464 16.812 1.00 0.00 C ATOM 916 CZ TYR B 3 -3.100 -3.757 17.281 1.00 0.00 C ATOM 917 OH TYR B 3 -3.050 -3.993 18.620 1.00 0.00 O ATOM 0 H TYR B 3 -4.424 -5.302 11.945 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.487 -2.735 12.963 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -2.612 -3.626 12.508 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.091 -1.970 12.823 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -2.773 -5.360 14.290 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -3.662 -1.219 15.070 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -2.644 -5.794 16.735 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -3.527 -1.658 17.514 1.00 0.00 H new ATOM 0 HH TYR B 3 -3.228 -3.161 19.106 1.00 0.00 H new ATOM 927 N LYS B 4 -4.957 -1.518 10.718 1.00 0.00 N ATOM 928 CA LYS B 4 -5.179 -0.925 9.388 1.00 0.00 C ATOM 929 C LYS B 4 -4.325 0.342 9.151 1.00 0.00 C ATOM 930 O LYS B 4 -3.983 1.053 10.096 1.00 0.00 O ATOM 931 CB LYS B 4 -6.688 -0.633 9.272 1.00 0.00 C ATOM 932 CG LYS B 4 -7.127 -0.120 7.892 1.00 0.00 C ATOM 933 CD LYS B 4 -8.629 0.172 7.833 1.00 0.00 C ATOM 934 CE LYS B 4 -8.943 0.745 6.448 1.00 0.00 C ATOM 935 NZ LYS B 4 -10.359 1.126 6.297 1.00 0.00 N ATOM 0 H LYS B 4 -4.945 -0.825 11.466 1.00 0.00 H new ATOM 0 HA LYS B 4 -4.862 -1.622 8.613 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -7.241 -1.544 9.501 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -6.963 0.105 10.026 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -6.573 0.787 7.651 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -6.873 -0.860 7.134 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -9.202 -0.739 8.008 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -8.911 0.881 8.612 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -8.315 1.618 6.270 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -8.686 0.007 5.688 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -10.486 1.645 5.405 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -10.950 0.270 6.287 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -10.642 1.733 7.093 1.00 0.00 H new ATOM 949 N LEU B 5 -4.028 0.656 7.889 1.00 0.00 N ATOM 950 CA LEU B 5 -3.238 1.798 7.412 1.00 0.00 C ATOM 951 C LEU B 5 -3.992 2.517 6.276 1.00 0.00 C ATOM 952 O LEU B 5 -4.420 1.874 5.319 1.00 0.00 O ATOM 953 CB LEU B 5 -1.883 1.240 6.933 1.00 0.00 C ATOM 954 CG LEU B 5 -0.721 2.193 6.596 1.00 0.00 C ATOM 955 CD1 LEU B 5 -0.928 3.026 5.334 1.00 0.00 C ATOM 956 CD2 LEU B 5 -0.373 3.122 7.755 1.00 0.00 C ATOM 0 H LEU B 5 -4.356 0.078 7.115 1.00 0.00 H new ATOM 0 HA LEU B 5 -3.076 2.533 8.201 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.526 0.557 7.704 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.078 0.642 6.042 1.00 0.00 H new ATOM 0 HG LEU B 5 0.113 1.518 6.405 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -0.061 3.667 5.175 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -1.052 2.364 4.477 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -1.819 3.643 5.447 1.00 0.00 H new ATOM 0 HD21 LEU B 5 0.452 3.773 7.465 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -1.242 3.729 8.008 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.080 2.529 8.621 1.00 0.00 H new ATOM 968 N ILE B 6 -4.134 3.838 6.360 1.00 0.00 N ATOM 969 CA ILE B 6 -4.729 4.705 5.324 1.00 0.00 C ATOM 970 C ILE B 6 -3.637 5.618 4.757 1.00 0.00 C ATOM 971 O ILE B 6 -2.924 6.268 5.523 1.00 0.00 O ATOM 972 CB ILE B 6 -5.877 5.559 5.920 1.00 0.00 C ATOM 973 CG1 ILE B 6 -6.927 4.670 6.623 1.00 0.00 C ATOM 974 CG2 ILE B 6 -6.517 6.435 4.821 1.00 0.00 C ATOM 975 CD1 ILE B 6 -8.049 5.448 7.322 1.00 0.00 C ATOM 0 H ILE B 6 -3.829 4.362 7.180 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.145 4.085 4.530 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.459 6.221 6.679 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -7.370 4.000 5.886 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -6.422 4.045 7.359 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -7.322 7.030 5.253 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -5.762 7.098 4.399 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -6.919 5.796 4.035 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -8.741 4.747 7.789 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -7.620 6.098 8.085 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -8.584 6.053 6.589 1.00 0.00 H new ATOM 987 N LEU B 7 -3.499 5.711 3.436 1.00 0.00 N ATOM 988 CA LEU B 7 -2.499 6.504 2.724 1.00 0.00 C ATOM 989 C LEU B 7 -3.188 7.665 1.980 1.00 0.00 C ATOM 990 O LEU B 7 -4.044 7.434 1.119 1.00 0.00 O ATOM 991 CB LEU B 7 -1.741 5.564 1.765 1.00 0.00 C ATOM 992 CG LEU B 7 -0.748 6.280 0.830 1.00 0.00 C ATOM 993 CD1 LEU B 7 0.352 7.024 1.582 1.00 0.00 C ATOM 994 CD2 LEU B 7 -0.093 5.268 -0.104 1.00 0.00 C ATOM 0 H LEU B 7 -4.116 5.207 2.799 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.783 6.950 3.415 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -1.199 4.824 2.353 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -2.466 5.021 1.159 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.328 7.015 0.271 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.019 7.507 0.868 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -0.096 7.779 2.228 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.920 6.318 2.188 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.608 5.781 -0.762 1.00 0.00 H new ATOM 0 HD22 LEU B 7 0.441 4.522 0.485 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.860 4.776 -0.703 1.00 0.00 H new ATOM 1006 N ASN B 8 -2.818 8.900 2.319 1.00 0.00 N ATOM 1007 CA ASN B 8 -3.242 10.105 1.606 1.00 0.00 C ATOM 1008 C ASN B 8 -1.991 10.786 1.016 1.00 0.00 C ATOM 1009 O ASN B 8 -0.983 10.968 1.703 1.00 0.00 O ATOM 1010 CB ASN B 8 -3.986 11.075 2.539 1.00 0.00 C ATOM 1011 CG ASN B 8 -4.988 10.430 3.476 1.00 0.00 C ATOM 1012 OD1 ASN B 8 -6.183 10.362 3.213 1.00 0.00 O ATOM 1013 ND2 ASN B 8 -4.508 9.991 4.617 1.00 0.00 N ATOM 0 H ASN B 8 -2.205 9.094 3.110 1.00 0.00 H new ATOM 0 HA ASN B 8 -3.933 9.827 0.810 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -3.251 11.616 3.135 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -4.506 11.813 1.929 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -5.134 9.581 5.310 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -3.509 10.060 4.810 1.00 0.00 H new ATOM 1020 N GLY B 9 -2.052 11.161 -0.257 1.00 0.00 N ATOM 1021 CA GLY B 9 -0.909 11.725 -0.988 1.00 0.00 C ATOM 1022 C GLY B 9 -1.176 12.049 -2.456 1.00 0.00 C ATOM 1023 O GLY B 9 -2.311 11.969 -2.931 1.00 0.00 O ATOM 0 H GLY B 9 -2.899 11.084 -0.820 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.589 12.636 -0.483 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.079 11.021 -0.932 1.00 0.00 H new ATOM 1027 N LYS B 10 -0.122 12.450 -3.163 1.00 0.00 N ATOM 1028 CA LYS B 10 -0.160 12.966 -4.537 1.00 0.00 C ATOM 1029 C LYS B 10 0.524 12.009 -5.538 1.00 0.00 C ATOM 1030 O LYS B 10 0.057 11.855 -6.668 1.00 0.00 O ATOM 1031 CB LYS B 10 0.514 14.351 -4.573 1.00 0.00 C ATOM 1032 CG LYS B 10 -0.016 15.383 -3.557 1.00 0.00 C ATOM 1033 CD LYS B 10 -1.506 15.716 -3.755 1.00 0.00 C ATOM 1034 CE LYS B 10 -1.949 16.949 -2.951 1.00 0.00 C ATOM 1035 NZ LYS B 10 -1.881 16.742 -1.488 1.00 0.00 N ATOM 0 H LYS B 10 0.824 12.425 -2.782 1.00 0.00 H new ATOM 0 HA LYS B 10 -1.203 13.049 -4.841 1.00 0.00 H new ATOM 0 HB2 LYS B 10 1.583 14.218 -4.404 1.00 0.00 H new ATOM 0 HB3 LYS B 10 0.399 14.764 -5.575 1.00 0.00 H new ATOM 0 HG2 LYS B 10 0.133 15.000 -2.548 1.00 0.00 H new ATOM 0 HG3 LYS B 10 0.569 16.299 -3.640 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -1.698 15.889 -4.814 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -2.109 14.858 -3.458 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -1.320 17.797 -3.222 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -2.971 17.208 -3.228 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -2.191 17.607 -1.000 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -2.502 15.952 -1.220 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -0.902 16.522 -1.214 1.00 0.00 H new ATOM 1049 N THR B 11 1.586 11.312 -5.118 1.00 0.00 N ATOM 1050 CA THR B 11 2.212 10.210 -5.880 1.00 0.00 C ATOM 1051 C THR B 11 1.399 8.905 -5.812 1.00 0.00 C ATOM 1052 O THR B 11 1.341 8.143 -6.781 1.00 0.00 O ATOM 1053 CB THR B 11 3.614 9.888 -5.323 1.00 0.00 C ATOM 1054 OG1 THR B 11 3.575 9.714 -3.922 1.00 0.00 O ATOM 1055 CG2 THR B 11 4.629 10.989 -5.624 1.00 0.00 C ATOM 0 H THR B 11 2.046 11.496 -4.226 1.00 0.00 H new ATOM 0 HA THR B 11 2.260 10.559 -6.911 1.00 0.00 H new ATOM 0 HB THR B 11 3.924 8.968 -5.818 1.00 0.00 H new ATOM 0 HG1 THR B 11 3.967 8.847 -3.689 1.00 0.00 H new ATOM 0 HG21 THR B 11 5.599 10.713 -5.210 1.00 0.00 H new ATOM 0 HG22 THR B 11 4.718 11.117 -6.703 1.00 0.00 H new ATOM 0 HG23 THR B 11 4.296 11.924 -5.174 1.00 0.00 H new ATOM 1063 N LEU B 12 0.767 8.652 -4.662 1.00 0.00 N ATOM 1064 CA LEU B 12 -0.069 7.481 -4.382 1.00 0.00 C ATOM 1065 C LEU B 12 -1.165 7.771 -3.332 1.00 0.00 C ATOM 1066 O LEU B 12 -0.980 8.599 -2.436 1.00 0.00 O ATOM 1067 CB LEU B 12 0.872 6.335 -3.936 1.00 0.00 C ATOM 1068 CG LEU B 12 0.253 4.923 -3.948 1.00 0.00 C ATOM 1069 CD1 LEU B 12 -0.130 4.481 -5.357 1.00 0.00 C ATOM 1070 CD2 LEU B 12 1.250 3.901 -3.417 1.00 0.00 C ATOM 0 H LEU B 12 0.827 9.286 -3.865 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.613 7.195 -5.282 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.747 6.334 -4.585 1.00 0.00 H new ATOM 0 HB3 LEU B 12 1.224 6.550 -2.927 1.00 0.00 H new ATOM 0 HG LEU B 12 -0.637 4.973 -3.321 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -0.562 3.481 -5.320 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -0.860 5.177 -5.771 1.00 0.00 H new ATOM 0 HD13 LEU B 12 0.758 4.469 -5.989 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.798 2.909 -3.432 1.00 0.00 H new ATOM 0 HD22 LEU B 12 2.142 3.903 -4.044 1.00 0.00 H new ATOM 0 HD23 LEU B 12 1.525 4.159 -2.394 1.00 0.00 H new ATOM 1082 N LYS B 13 -2.278 7.044 -3.412 1.00 0.00 N ATOM 1083 CA LYS B 13 -3.358 6.993 -2.413 1.00 0.00 C ATOM 1084 C LYS B 13 -3.702 5.515 -2.130 1.00 0.00 C ATOM 1085 O LYS B 13 -3.469 4.667 -2.991 1.00 0.00 O ATOM 1086 CB LYS B 13 -4.606 7.723 -2.939 1.00 0.00 C ATOM 1087 CG LYS B 13 -4.369 9.179 -3.377 1.00 0.00 C ATOM 1088 CD LYS B 13 -5.693 9.807 -3.851 1.00 0.00 C ATOM 1089 CE LYS B 13 -5.516 11.158 -4.559 1.00 0.00 C ATOM 1090 NZ LYS B 13 -5.049 12.228 -3.656 1.00 0.00 N ATOM 0 H LYS B 13 -2.466 6.442 -4.214 1.00 0.00 H new ATOM 0 HA LYS B 13 -3.029 7.484 -1.497 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -5.006 7.165 -3.786 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -5.370 7.713 -2.161 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -3.960 9.755 -2.547 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -3.633 9.211 -4.181 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -6.192 9.114 -4.529 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -6.350 9.940 -2.992 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -4.803 11.043 -5.375 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -6.465 11.455 -5.004 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.158 13.150 -4.125 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -5.613 12.215 -2.782 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -4.047 12.074 -3.424 1.00 0.00 H new ATOM 1104 N GLY B 14 -4.260 5.162 -0.969 1.00 0.00 N ATOM 1105 CA GLY B 14 -4.613 3.756 -0.693 1.00 0.00 C ATOM 1106 C GLY B 14 -5.021 3.404 0.739 1.00 0.00 C ATOM 1107 O GLY B 14 -5.121 4.267 1.611 1.00 0.00 O ATOM 0 H GLY B 14 -4.476 5.813 -0.214 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -5.433 3.477 -1.356 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -3.759 3.134 -0.963 1.00 0.00 H new ATOM 1111 N GLU B 15 -5.241 2.105 0.966 1.00 0.00 N ATOM 1112 CA GLU B 15 -5.614 1.474 2.252 1.00 0.00 C ATOM 1113 C GLU B 15 -5.066 0.047 2.348 1.00 0.00 C ATOM 1114 O GLU B 15 -5.233 -0.744 1.418 1.00 0.00 O ATOM 1115 CB GLU B 15 -7.141 1.381 2.418 1.00 0.00 C ATOM 1116 CG GLU B 15 -7.849 2.730 2.537 1.00 0.00 C ATOM 1117 CD GLU B 15 -9.349 2.518 2.675 1.00 0.00 C ATOM 1118 OE1 GLU B 15 -9.825 2.351 3.820 1.00 0.00 O ATOM 1119 OE2 GLU B 15 -10.050 2.521 1.639 1.00 0.00 O ATOM 0 H GLU B 15 -5.161 1.418 0.216 1.00 0.00 H new ATOM 0 HA GLU B 15 -5.187 2.105 3.031 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -7.554 0.842 1.565 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -7.362 0.789 3.306 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -7.469 3.275 3.401 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -7.639 3.340 1.658 1.00 0.00 H new ATOM 1126 N THR B 16 -4.442 -0.302 3.471 1.00 0.00 N ATOM 1127 CA THR B 16 -3.885 -1.647 3.737 1.00 0.00 C ATOM 1128 C THR B 16 -4.161 -2.149 5.165 1.00 0.00 C ATOM 1129 O THR B 16 -4.593 -1.393 6.037 1.00 0.00 O ATOM 1130 CB THR B 16 -2.372 -1.756 3.431 1.00 0.00 C ATOM 1131 OG1 THR B 16 -1.571 -1.313 4.497 1.00 0.00 O ATOM 1132 CG2 THR B 16 -1.894 -0.991 2.197 1.00 0.00 C ATOM 0 H THR B 16 -4.301 0.348 4.244 1.00 0.00 H new ATOM 0 HA THR B 16 -4.418 -2.294 3.041 1.00 0.00 H new ATOM 0 HB THR B 16 -2.258 -2.825 3.251 1.00 0.00 H new ATOM 0 HG1 THR B 16 -0.626 -1.404 4.255 1.00 0.00 H new ATOM 0 HG21 THR B 16 -0.821 -1.134 2.073 1.00 0.00 H new ATOM 0 HG22 THR B 16 -2.414 -1.363 1.314 1.00 0.00 H new ATOM 0 HG23 THR B 16 -2.106 0.071 2.322 1.00 0.00 H new ATOM 1140 N THR B 17 -3.948 -3.443 5.407 1.00 0.00 N ATOM 1141 CA THR B 17 -4.341 -4.156 6.635 1.00 0.00 C ATOM 1142 C THR B 17 -3.328 -5.256 6.991 1.00 0.00 C ATOM 1143 O THR B 17 -2.761 -5.900 6.102 1.00 0.00 O ATOM 1144 CB THR B 17 -5.740 -4.816 6.486 1.00 0.00 C ATOM 1145 OG1 THR B 17 -6.575 -4.176 5.540 1.00 0.00 O ATOM 1146 CG2 THR B 17 -6.514 -4.842 7.799 1.00 0.00 C ATOM 0 H THR B 17 -3.481 -4.050 4.733 1.00 0.00 H new ATOM 0 HA THR B 17 -4.370 -3.409 7.429 1.00 0.00 H new ATOM 0 HB THR B 17 -5.508 -5.826 6.147 1.00 0.00 H new ATOM 0 HG1 THR B 17 -7.436 -4.642 5.495 1.00 0.00 H new ATOM 0 HG21 THR B 17 -7.484 -5.313 7.640 1.00 0.00 H new ATOM 0 HG22 THR B 17 -5.952 -5.409 8.541 1.00 0.00 H new ATOM 0 HG23 THR B 17 -6.660 -3.822 8.156 1.00 0.00 H new ATOM 1154 N THR B 18 -3.113 -5.497 8.286 1.00 0.00 N ATOM 1155 CA THR B 18 -2.207 -6.530 8.831 1.00 0.00 C ATOM 1156 C THR B 18 -2.755 -7.110 10.147 1.00 0.00 C ATOM 1157 O THR B 18 -3.674 -6.541 10.745 1.00 0.00 O ATOM 1158 CB THR B 18 -0.786 -5.954 9.047 1.00 0.00 C ATOM 1159 OG1 THR B 18 0.160 -6.975 9.277 1.00 0.00 O ATOM 1160 CG2 THR B 18 -0.678 -4.988 10.233 1.00 0.00 C ATOM 0 H THR B 18 -3.579 -4.962 9.018 1.00 0.00 H new ATOM 0 HA THR B 18 -2.147 -7.338 8.102 1.00 0.00 H new ATOM 0 HB THR B 18 -0.581 -5.414 8.123 1.00 0.00 H new ATOM 0 HG1 THR B 18 0.312 -7.473 8.447 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.348 -4.629 10.317 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.347 -4.142 10.075 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.958 -5.506 11.151 1.00 0.00 H new ATOM 1168 N GLU B 19 -2.212 -8.237 10.616 1.00 0.00 N ATOM 1169 CA GLU B 19 -2.564 -8.893 11.895 1.00 0.00 C ATOM 1170 C GLU B 19 -1.307 -9.081 12.738 1.00 0.00 C ATOM 1171 O GLU B 19 -0.379 -9.794 12.352 1.00 0.00 O ATOM 1172 CB GLU B 19 -3.311 -10.209 11.655 1.00 0.00 C ATOM 1173 CG GLU B 19 -4.017 -10.745 12.901 1.00 0.00 C ATOM 1174 CD GLU B 19 -3.098 -11.510 13.840 1.00 0.00 C ATOM 1175 OE1 GLU B 19 -2.530 -12.544 13.423 1.00 0.00 O ATOM 1176 OE2 GLU B 19 -3.005 -11.102 15.017 1.00 0.00 O ATOM 0 H GLU B 19 -1.489 -8.742 10.103 1.00 0.00 H new ATOM 0 HA GLU B 19 -3.247 -8.252 12.452 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -4.047 -10.061 10.865 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -2.605 -10.958 11.296 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -4.463 -9.911 13.443 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -4.833 -11.398 12.593 1.00 0.00 H new ATOM 1183 N ALA B 20 -1.277 -8.374 13.862 1.00 0.00 N ATOM 1184 CA ALA B 20 -0.125 -8.209 14.725 1.00 0.00 C ATOM 1185 C ALA B 20 -0.477 -8.353 16.211 1.00 0.00 C ATOM 1186 O ALA B 20 -1.639 -8.252 16.621 1.00 0.00 O ATOM 1187 CB ALA B 20 0.452 -6.824 14.425 1.00 0.00 C ATOM 0 H ALA B 20 -2.098 -7.878 14.208 1.00 0.00 H new ATOM 0 HA ALA B 20 0.604 -8.994 14.526 1.00 0.00 H new ATOM 0 HB1 ALA B 20 1.326 -6.650 15.053 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.742 -6.770 13.376 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -0.301 -6.063 14.633 1.00 0.00 H new ATOM 1193 N VAL B 21 0.550 -8.563 17.031 1.00 0.00 N ATOM 1194 CA VAL B 21 0.376 -8.712 18.487 1.00 0.00 C ATOM 1195 C VAL B 21 -0.075 -7.399 19.135 1.00 0.00 C ATOM 1196 O VAL B 21 -0.969 -7.419 19.986 1.00 0.00 O ATOM 1197 CB VAL B 21 1.637 -9.294 19.153 1.00 0.00 C ATOM 1198 CG1 VAL B 21 2.883 -8.491 18.786 1.00 0.00 C ATOM 1199 CG2 VAL B 21 1.525 -9.398 20.678 1.00 0.00 C ATOM 0 H VAL B 21 1.518 -8.635 16.717 1.00 0.00 H new ATOM 0 HA VAL B 21 -0.424 -9.434 18.652 1.00 0.00 H new ATOM 0 HB VAL B 21 1.729 -10.307 18.762 1.00 0.00 H new ATOM 0 HG11 VAL B 21 3.754 -8.929 19.273 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.023 -8.510 17.705 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.762 -7.460 19.118 1.00 0.00 H new ATOM 0 HG21 VAL B 21 2.447 -9.815 21.083 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.360 -8.406 21.099 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.688 -10.046 20.938 1.00 0.00 H new ATOM 1209 N ASP B 22 0.451 -6.244 18.699 1.00 0.00 N ATOM 1210 CA ASP B 22 0.140 -4.917 19.244 1.00 0.00 C ATOM 1211 C ASP B 22 0.342 -3.818 18.188 1.00 0.00 C ATOM 1212 O ASP B 22 0.970 -4.013 17.144 1.00 0.00 O ATOM 1213 CB ASP B 22 1.097 -4.653 20.425 1.00 0.00 C ATOM 1214 CG ASP B 22 0.893 -3.322 21.178 1.00 0.00 C ATOM 1215 OD1 ASP B 22 -0.096 -3.203 21.941 1.00 0.00 O ATOM 1216 OD2 ASP B 22 1.715 -2.398 20.976 1.00 0.00 O ATOM 0 H ASP B 22 1.125 -6.209 17.934 1.00 0.00 H new ATOM 0 HA ASP B 22 -0.903 -4.897 19.561 1.00 0.00 H new ATOM 0 HB2 ASP B 22 0.995 -5.470 21.139 1.00 0.00 H new ATOM 0 HB3 ASP B 22 2.120 -4.682 20.051 1.00 0.00 H new ATOM 1221 N ALA B 23 -0.153 -2.646 18.544 1.00 0.00 N ATOM 1222 CA ALA B 23 -0.063 -1.397 17.789 1.00 0.00 C ATOM 1223 C ALA B 23 1.385 -1.068 17.365 1.00 0.00 C ATOM 1224 O ALA B 23 1.605 -0.598 16.255 1.00 0.00 O ATOM 1225 CB ALA B 23 -0.677 -0.261 18.617 1.00 0.00 C ATOM 0 H ALA B 23 -0.661 -2.528 19.421 1.00 0.00 H new ATOM 0 HA ALA B 23 -0.627 -1.515 16.863 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -0.612 0.673 18.058 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -1.723 -0.487 18.826 1.00 0.00 H new ATOM 0 HB3 ALA B 23 -0.133 -0.160 19.556 1.00 0.00 H new ATOM 1231 N ALA B 24 2.389 -1.385 18.186 1.00 0.00 N ATOM 1232 CA ALA B 24 3.795 -1.174 17.876 1.00 0.00 C ATOM 1233 C ALA B 24 4.316 -2.153 16.807 1.00 0.00 C ATOM 1234 O ALA B 24 5.135 -1.777 15.973 1.00 0.00 O ATOM 1235 CB ALA B 24 4.614 -1.287 19.166 1.00 0.00 C ATOM 0 H ALA B 24 2.238 -1.804 19.103 1.00 0.00 H new ATOM 0 HA ALA B 24 3.904 -0.175 17.454 1.00 0.00 H new ATOM 0 HB1 ALA B 24 5.669 -1.130 18.942 1.00 0.00 H new ATOM 0 HB2 ALA B 24 4.278 -0.533 19.878 1.00 0.00 H new ATOM 0 HB3 ALA B 24 4.478 -2.279 19.597 1.00 0.00 H new ATOM 1241 N THR B 25 3.824 -3.396 16.774 1.00 0.00 N ATOM 1242 CA THR B 25 4.132 -4.382 15.727 1.00 0.00 C ATOM 1243 C THR B 25 3.437 -4.039 14.402 1.00 0.00 C ATOM 1244 O THR B 25 4.087 -4.015 13.359 1.00 0.00 O ATOM 1245 CB THR B 25 3.743 -5.789 16.190 1.00 0.00 C ATOM 1246 OG1 THR B 25 4.295 -6.047 17.462 1.00 0.00 O ATOM 1247 CG2 THR B 25 4.223 -6.890 15.239 1.00 0.00 C ATOM 0 H THR B 25 3.188 -3.754 17.487 1.00 0.00 H new ATOM 0 HA THR B 25 5.207 -4.353 15.550 1.00 0.00 H new ATOM 0 HB THR B 25 2.653 -5.808 16.214 1.00 0.00 H new ATOM 0 HG1 THR B 25 4.759 -6.910 17.448 1.00 0.00 H new ATOM 0 HG21 THR B 25 3.916 -7.862 15.624 1.00 0.00 H new ATOM 0 HG22 THR B 25 3.786 -6.735 14.253 1.00 0.00 H new ATOM 0 HG23 THR B 25 5.310 -6.857 15.163 1.00 0.00 H new ATOM 1255 N ALA B 26 2.151 -3.675 14.411 1.00 0.00 N ATOM 1256 CA ALA B 26 1.459 -3.196 13.203 1.00 0.00 C ATOM 1257 C ALA B 26 2.056 -1.891 12.628 1.00 0.00 C ATOM 1258 O ALA B 26 2.256 -1.775 11.419 1.00 0.00 O ATOM 1259 CB ALA B 26 -0.018 -2.996 13.529 1.00 0.00 C ATOM 0 H ALA B 26 1.563 -3.702 15.244 1.00 0.00 H new ATOM 0 HA ALA B 26 1.589 -3.954 12.431 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.542 -2.641 12.641 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.451 -3.943 13.851 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -0.118 -2.261 14.328 1.00 0.00 H new ATOM 1265 N GLU B 27 2.442 -0.977 13.528 1.00 0.00 N ATOM 1266 CA GLU B 27 3.221 0.235 13.178 1.00 0.00 C ATOM 1267 C GLU B 27 4.567 -0.141 12.567 1.00 0.00 C ATOM 1268 O GLU B 27 4.956 0.419 11.544 1.00 0.00 O ATOM 1269 CB GLU B 27 3.446 1.202 14.353 1.00 0.00 C ATOM 1270 CG GLU B 27 3.898 2.577 13.851 1.00 0.00 C ATOM 1271 CD GLU B 27 4.359 3.457 15.002 1.00 0.00 C ATOM 1272 OE1 GLU B 27 3.512 3.892 15.812 1.00 0.00 O ATOM 1273 OE2 GLU B 27 5.575 3.747 15.061 1.00 0.00 O ATOM 0 H GLU B 27 2.227 -1.050 14.522 1.00 0.00 H new ATOM 0 HA GLU B 27 2.608 0.765 12.449 1.00 0.00 H new ATOM 0 HB2 GLU B 27 2.525 1.305 14.926 1.00 0.00 H new ATOM 0 HB3 GLU B 27 4.197 0.792 15.028 1.00 0.00 H new ATOM 0 HG2 GLU B 27 4.710 2.457 13.134 1.00 0.00 H new ATOM 0 HG3 GLU B 27 3.077 3.063 13.324 1.00 0.00 H new ATOM 1280 N LYS B 28 5.250 -1.139 13.131 1.00 0.00 N ATOM 1281 CA LYS B 28 6.509 -1.641 12.560 1.00 0.00 C ATOM 1282 C LYS B 28 6.323 -2.252 11.152 1.00 0.00 C ATOM 1283 O LYS B 28 7.029 -1.851 10.226 1.00 0.00 O ATOM 1284 CB LYS B 28 7.165 -2.618 13.554 1.00 0.00 C ATOM 1285 CG LYS B 28 8.495 -3.199 13.057 1.00 0.00 C ATOM 1286 CD LYS B 28 9.143 -4.072 14.141 1.00 0.00 C ATOM 1287 CE LYS B 28 10.442 -4.693 13.619 1.00 0.00 C ATOM 1288 NZ LYS B 28 11.086 -5.549 14.637 1.00 0.00 N ATOM 0 H LYS B 28 4.956 -1.618 13.982 1.00 0.00 H new ATOM 0 HA LYS B 28 7.183 -0.798 12.410 1.00 0.00 H new ATOM 0 HB2 LYS B 28 7.334 -2.102 14.499 1.00 0.00 H new ATOM 0 HB3 LYS B 28 6.474 -3.436 13.756 1.00 0.00 H new ATOM 0 HG2 LYS B 28 8.326 -3.792 12.158 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.171 -2.390 12.782 1.00 0.00 H new ATOM 0 HD2 LYS B 28 9.350 -3.470 15.026 1.00 0.00 H new ATOM 0 HD3 LYS B 28 8.452 -4.859 14.445 1.00 0.00 H new ATOM 0 HE2 LYS B 28 10.231 -5.284 12.728 1.00 0.00 H new ATOM 0 HE3 LYS B 28 11.130 -3.902 13.321 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 11.962 -5.952 14.248 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 11.310 -4.980 15.478 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 10.439 -6.319 14.903 1.00 0.00 H new ATOM 1302 N VAL B 29 5.356 -3.155 10.940 1.00 0.00 N ATOM 1303 CA VAL B 29 5.047 -3.725 9.606 1.00 0.00 C ATOM 1304 C VAL B 29 4.695 -2.625 8.596 1.00 0.00 C ATOM 1305 O VAL B 29 5.315 -2.532 7.534 1.00 0.00 O ATOM 1306 CB VAL B 29 3.907 -4.767 9.691 1.00 0.00 C ATOM 1307 CG1 VAL B 29 3.457 -5.277 8.315 1.00 0.00 C ATOM 1308 CG2 VAL B 29 4.351 -5.998 10.495 1.00 0.00 C ATOM 0 H VAL B 29 4.761 -3.516 11.685 1.00 0.00 H new ATOM 0 HA VAL B 29 5.946 -4.232 9.255 1.00 0.00 H new ATOM 0 HB VAL B 29 3.079 -4.248 10.174 1.00 0.00 H new ATOM 0 HG11 VAL B 29 2.656 -6.005 8.441 1.00 0.00 H new ATOM 0 HG12 VAL B 29 3.096 -4.440 7.717 1.00 0.00 H new ATOM 0 HG13 VAL B 29 4.299 -5.749 7.809 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.533 -6.717 10.541 1.00 0.00 H new ATOM 0 HG22 VAL B 29 5.212 -6.458 10.010 1.00 0.00 H new ATOM 0 HG23 VAL B 29 4.624 -5.694 11.505 1.00 0.00 H new ATOM 1318 N PHE B 30 3.759 -1.739 8.942 1.00 0.00 N ATOM 1319 CA PHE B 30 3.383 -0.625 8.071 1.00 0.00 C ATOM 1320 C PHE B 30 4.546 0.338 7.766 1.00 0.00 C ATOM 1321 O PHE B 30 4.665 0.801 6.634 1.00 0.00 O ATOM 1322 CB PHE B 30 2.194 0.148 8.655 1.00 0.00 C ATOM 1323 CG PHE B 30 0.878 -0.615 8.749 1.00 0.00 C ATOM 1324 CD1 PHE B 30 0.428 -1.419 7.681 1.00 0.00 C ATOM 1325 CD2 PHE B 30 0.072 -0.480 9.898 1.00 0.00 C ATOM 1326 CE1 PHE B 30 -0.805 -2.091 7.765 1.00 0.00 C ATOM 1327 CE2 PHE B 30 -1.167 -1.142 9.976 1.00 0.00 C ATOM 1328 CZ PHE B 30 -1.608 -1.940 8.907 1.00 0.00 C ATOM 0 H PHE B 30 3.246 -1.772 9.823 1.00 0.00 H new ATOM 0 HA PHE B 30 3.094 -1.074 7.121 1.00 0.00 H new ATOM 0 HB2 PHE B 30 2.464 0.489 9.654 1.00 0.00 H new ATOM 0 HB3 PHE B 30 2.032 1.038 8.047 1.00 0.00 H new ATOM 0 HD1 PHE B 30 1.034 -1.519 6.793 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.407 0.134 10.721 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -1.133 -2.722 6.952 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -1.780 -1.037 10.859 1.00 0.00 H new ATOM 0 HZ PHE B 30 -2.565 -2.437 8.964 1.00 0.00 H new ATOM 1338 N LYS B 31 5.450 0.579 8.719 1.00 0.00 N ATOM 1339 CA LYS B 31 6.676 1.346 8.453 1.00 0.00 C ATOM 1340 C LYS B 31 7.723 0.576 7.629 1.00 0.00 C ATOM 1341 O LYS B 31 8.519 1.203 6.935 1.00 0.00 O ATOM 1342 CB LYS B 31 7.287 1.880 9.756 1.00 0.00 C ATOM 1343 CG LYS B 31 6.490 3.096 10.246 1.00 0.00 C ATOM 1344 CD LYS B 31 7.077 3.667 11.540 1.00 0.00 C ATOM 1345 CE LYS B 31 6.332 4.954 11.907 1.00 0.00 C ATOM 1346 NZ LYS B 31 6.789 5.498 13.201 1.00 0.00 N ATOM 0 H LYS B 31 5.359 0.256 9.682 1.00 0.00 H new ATOM 0 HA LYS B 31 6.370 2.190 7.834 1.00 0.00 H new ATOM 0 HB2 LYS B 31 7.281 1.100 10.517 1.00 0.00 H new ATOM 0 HB3 LYS B 31 8.328 2.158 9.592 1.00 0.00 H new ATOM 0 HG2 LYS B 31 6.489 3.866 9.475 1.00 0.00 H new ATOM 0 HG3 LYS B 31 5.452 2.809 10.412 1.00 0.00 H new ATOM 0 HD2 LYS B 31 6.988 2.939 12.346 1.00 0.00 H new ATOM 0 HD3 LYS B 31 8.140 3.872 11.412 1.00 0.00 H new ATOM 0 HE2 LYS B 31 6.484 5.698 11.125 1.00 0.00 H new ATOM 0 HE3 LYS B 31 5.261 4.754 11.954 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 6.476 6.486 13.292 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 6.386 4.934 13.976 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 7.827 5.458 13.247 1.00 0.00 H new ATOM 1360 N GLN B 32 7.733 -0.758 7.619 1.00 0.00 N ATOM 1361 CA GLN B 32 8.574 -1.536 6.692 1.00 0.00 C ATOM 1362 C GLN B 32 8.112 -1.394 5.227 1.00 0.00 C ATOM 1363 O GLN B 32 8.946 -1.257 4.329 1.00 0.00 O ATOM 1364 CB GLN B 32 8.635 -3.015 7.126 1.00 0.00 C ATOM 1365 CG GLN B 32 9.971 -3.392 7.785 1.00 0.00 C ATOM 1366 CD GLN B 32 10.142 -2.839 9.186 1.00 0.00 C ATOM 1367 OE1 GLN B 32 10.039 -3.562 10.167 1.00 0.00 O ATOM 1368 NE2 GLN B 32 10.454 -1.568 9.327 1.00 0.00 N ATOM 0 H GLN B 32 7.166 -1.330 8.245 1.00 0.00 H new ATOM 0 HA GLN B 32 9.582 -1.125 6.740 1.00 0.00 H new ATOM 0 HB2 GLN B 32 7.822 -3.217 7.824 1.00 0.00 H new ATOM 0 HB3 GLN B 32 8.473 -3.651 6.255 1.00 0.00 H new ATOM 0 HG2 GLN B 32 10.053 -4.478 7.821 1.00 0.00 H new ATOM 0 HG3 GLN B 32 10.788 -3.031 7.160 1.00 0.00 H new ATOM 0 HE21 GLN B 32 10.539 -0.969 8.505 1.00 0.00 H new ATOM 0 HE22 GLN B 32 10.611 -1.182 10.258 1.00 0.00 H new ATOM 1377 N TYR B 33 6.798 -1.365 4.979 1.00 0.00 N ATOM 1378 CA TYR B 33 6.222 -1.125 3.642 1.00 0.00 C ATOM 1379 C TYR B 33 6.229 0.362 3.209 1.00 0.00 C ATOM 1380 O TYR B 33 6.396 0.649 2.027 1.00 0.00 O ATOM 1381 CB TYR B 33 4.788 -1.689 3.601 1.00 0.00 C ATOM 1382 CG TYR B 33 4.707 -3.192 3.364 1.00 0.00 C ATOM 1383 CD1 TYR B 33 5.208 -4.106 4.314 1.00 0.00 C ATOM 1384 CD2 TYR B 33 4.133 -3.686 2.175 1.00 0.00 C ATOM 1385 CE1 TYR B 33 5.159 -5.492 4.067 1.00 0.00 C ATOM 1386 CE2 TYR B 33 4.090 -5.070 1.928 1.00 0.00 C ATOM 1387 CZ TYR B 33 4.605 -5.972 2.871 1.00 0.00 C ATOM 1388 OH TYR B 33 4.564 -7.310 2.621 1.00 0.00 O ATOM 0 H TYR B 33 6.095 -1.508 5.704 1.00 0.00 H new ATOM 0 HA TYR B 33 6.861 -1.640 2.925 1.00 0.00 H new ATOM 0 HB2 TYR B 33 4.292 -1.455 4.543 1.00 0.00 H new ATOM 0 HB3 TYR B 33 4.233 -1.179 2.813 1.00 0.00 H new ATOM 0 HD1 TYR B 33 5.632 -3.741 5.238 1.00 0.00 H new ATOM 0 HD2 TYR B 33 3.724 -2.998 1.450 1.00 0.00 H new ATOM 0 HE1 TYR B 33 5.548 -6.185 4.798 1.00 0.00 H new ATOM 0 HE2 TYR B 33 3.659 -5.440 1.009 1.00 0.00 H new ATOM 0 HH TYR B 33 3.787 -7.514 2.060 1.00 0.00 H new ATOM 1398 N PHE B 34 6.065 1.278 4.170 1.00 0.00 N ATOM 1399 CA PHE B 34 5.829 2.721 3.927 1.00 0.00 C ATOM 1400 C PHE B 34 6.888 3.716 4.473 1.00 0.00 C ATOM 1401 O PHE B 34 6.585 4.896 4.670 1.00 0.00 O ATOM 1402 CB PHE B 34 4.390 3.110 4.318 1.00 0.00 C ATOM 1403 CG PHE B 34 3.298 2.403 3.536 1.00 0.00 C ATOM 1404 CD1 PHE B 34 3.138 2.669 2.160 1.00 0.00 C ATOM 1405 CD2 PHE B 34 2.407 1.524 4.182 1.00 0.00 C ATOM 1406 CE1 PHE B 34 2.095 2.062 1.438 1.00 0.00 C ATOM 1407 CE2 PHE B 34 1.363 0.921 3.458 1.00 0.00 C ATOM 1408 CZ PHE B 34 1.207 1.190 2.088 1.00 0.00 C ATOM 0 H PHE B 34 6.092 1.040 5.162 1.00 0.00 H new ATOM 0 HA PHE B 34 5.958 2.833 2.851 1.00 0.00 H new ATOM 0 HB2 PHE B 34 4.249 2.902 5.379 1.00 0.00 H new ATOM 0 HB3 PHE B 34 4.272 4.186 4.186 1.00 0.00 H new ATOM 0 HD1 PHE B 34 3.819 3.341 1.659 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.526 1.313 5.234 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.977 2.266 0.384 1.00 0.00 H new ATOM 0 HE2 PHE B 34 0.680 0.250 3.956 1.00 0.00 H new ATOM 0 HZ PHE B 34 0.404 0.726 1.535 1.00 0.00 H new ATOM 1418 N ASN B 35 8.144 3.304 4.682 1.00 0.00 N ATOM 1419 CA ASN B 35 9.250 4.212 4.987 1.00 0.00 C ATOM 1420 C ASN B 35 9.960 4.683 3.693 1.00 0.00 C ATOM 1421 O ASN B 35 10.578 3.883 2.985 1.00 0.00 O ATOM 1422 CB ASN B 35 10.203 3.487 5.947 1.00 0.00 C ATOM 1423 CG ASN B 35 11.542 4.180 6.054 1.00 0.00 C ATOM 1424 OD1 ASN B 35 11.663 5.286 6.566 1.00 0.00 O ATOM 1425 ND2 ASN B 35 12.574 3.552 5.536 1.00 0.00 N ATOM 0 H ASN B 35 8.421 2.323 4.643 1.00 0.00 H new ATOM 0 HA ASN B 35 8.879 5.118 5.467 1.00 0.00 H new ATOM 0 HB2 ASN B 35 9.746 3.429 6.935 1.00 0.00 H new ATOM 0 HB3 ASN B 35 10.352 2.463 5.604 1.00 0.00 H new ATOM 0 HD21 ASN B 35 13.497 3.985 5.556 1.00 0.00 H new ATOM 0 HD22 ASN B 35 12.452 2.631 5.114 1.00 0.00 H new ATOM 1432 N ASP B 36 9.902 5.993 3.419 1.00 0.00 N ATOM 1433 CA ASP B 36 10.661 6.720 2.375 1.00 0.00 C ATOM 1434 C ASP B 36 10.556 6.192 0.928 1.00 0.00 C ATOM 1435 O ASP B 36 11.454 6.408 0.111 1.00 0.00 O ATOM 1436 CB ASP B 36 12.123 6.861 2.840 1.00 0.00 C ATOM 1437 CG ASP B 36 12.964 7.916 2.083 1.00 0.00 C ATOM 1438 OD1 ASP B 36 12.489 9.063 1.899 1.00 0.00 O ATOM 1439 OD2 ASP B 36 14.127 7.611 1.720 1.00 0.00 O ATOM 0 H ASP B 36 9.291 6.616 3.947 1.00 0.00 H new ATOM 0 HA ASP B 36 10.177 7.693 2.284 1.00 0.00 H new ATOM 0 HB2 ASP B 36 12.126 7.112 3.901 1.00 0.00 H new ATOM 0 HB3 ASP B 36 12.613 5.892 2.741 1.00 0.00 H new ATOM 1444 N ASN B 37 9.455 5.520 0.582 1.00 0.00 N ATOM 1445 CA ASN B 37 9.156 5.168 -0.818 1.00 0.00 C ATOM 1446 C ASN B 37 9.107 6.461 -1.681 1.00 0.00 C ATOM 1447 O ASN B 37 9.606 6.527 -2.807 1.00 0.00 O ATOM 1448 CB ASN B 37 7.800 4.434 -0.888 1.00 0.00 C ATOM 1449 CG ASN B 37 7.706 3.145 -0.085 1.00 0.00 C ATOM 1450 OD1 ASN B 37 8.673 2.603 0.434 1.00 0.00 O ATOM 1451 ND2 ASN B 37 6.504 2.633 0.049 1.00 0.00 N ATOM 0 H ASN B 37 8.751 5.206 1.250 1.00 0.00 H new ATOM 0 HA ASN B 37 9.936 4.512 -1.204 1.00 0.00 H new ATOM 0 HB2 ASN B 37 7.021 5.114 -0.542 1.00 0.00 H new ATOM 0 HB3 ASN B 37 7.584 4.207 -1.932 1.00 0.00 H new ATOM 0 HD21 ASN B 37 6.371 1.778 0.589 1.00 0.00 H new ATOM 0 HD22 ASN B 37 5.703 3.091 -0.387 1.00 0.00 H new ATOM 1458 N GLY B 38 8.492 7.483 -1.076 1.00 0.00 N ATOM 1459 CA GLY B 38 8.283 8.817 -1.662 1.00 0.00 C ATOM 1460 C GLY B 38 7.370 9.789 -0.907 1.00 0.00 C ATOM 1461 O GLY B 38 7.512 11.002 -1.075 1.00 0.00 O ATOM 0 H GLY B 38 8.112 7.404 -0.133 1.00 0.00 H new ATOM 0 HA2 GLY B 38 9.258 9.291 -1.775 1.00 0.00 H new ATOM 0 HA3 GLY B 38 7.876 8.684 -2.664 1.00 0.00 H new ATOM 1465 N VAL B 39 6.451 9.293 -0.068 1.00 0.00 N ATOM 1466 CA VAL B 39 5.495 10.141 0.681 1.00 0.00 C ATOM 1467 C VAL B 39 6.215 11.112 1.633 1.00 0.00 C ATOM 1468 O VAL B 39 5.921 12.308 1.643 1.00 0.00 O ATOM 1469 CB VAL B 39 4.486 9.310 1.508 1.00 0.00 C ATOM 1470 CG1 VAL B 39 3.292 10.167 1.944 1.00 0.00 C ATOM 1471 CG2 VAL B 39 3.907 8.110 0.748 1.00 0.00 C ATOM 0 H VAL B 39 6.344 8.295 0.115 1.00 0.00 H new ATOM 0 HA VAL B 39 4.953 10.703 -0.080 1.00 0.00 H new ATOM 0 HB VAL B 39 5.062 8.951 2.361 1.00 0.00 H new ATOM 0 HG11 VAL B 39 2.599 9.557 2.524 1.00 0.00 H new ATOM 0 HG12 VAL B 39 3.644 10.997 2.556 1.00 0.00 H new ATOM 0 HG13 VAL B 39 2.783 10.557 1.063 1.00 0.00 H new ATOM 0 HG21 VAL B 39 3.208 7.575 1.391 1.00 0.00 H new ATOM 0 HG22 VAL B 39 3.386 8.461 -0.143 1.00 0.00 H new ATOM 0 HG23 VAL B 39 4.716 7.440 0.455 1.00 0.00 H new ATOM 1481 N ASP B 40 7.171 10.592 2.423 1.00 0.00 N ATOM 1482 CA ASP B 40 7.853 11.280 3.545 1.00 0.00 C ATOM 1483 C ASP B 40 6.909 12.172 4.389 1.00 0.00 C ATOM 1484 O ASP B 40 7.238 13.301 4.764 1.00 0.00 O ATOM 1485 CB ASP B 40 9.103 12.011 3.004 1.00 0.00 C ATOM 1486 CG ASP B 40 10.047 12.565 4.097 1.00 0.00 C ATOM 1487 OD1 ASP B 40 10.300 11.862 5.107 1.00 0.00 O ATOM 1488 OD2 ASP B 40 10.575 13.692 3.923 1.00 0.00 O ATOM 0 H ASP B 40 7.508 9.638 2.295 1.00 0.00 H new ATOM 0 HA ASP B 40 8.187 10.532 4.264 1.00 0.00 H new ATOM 0 HB2 ASP B 40 9.665 11.324 2.371 1.00 0.00 H new ATOM 0 HB3 ASP B 40 8.779 12.836 2.369 1.00 0.00 H new ATOM 1493 N GLY B 41 5.695 11.668 4.630 1.00 0.00 N ATOM 1494 CA GLY B 41 4.571 12.408 5.219 1.00 0.00 C ATOM 1495 C GLY B 41 4.408 12.237 6.732 1.00 0.00 C ATOM 1496 O GLY B 41 5.173 11.526 7.392 1.00 0.00 O ATOM 0 H GLY B 41 5.458 10.700 4.413 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.698 13.468 5.000 1.00 0.00 H new ATOM 0 HA3 GLY B 41 3.650 12.090 4.731 1.00 0.00 H new ATOM 1500 N GLU B 42 3.391 12.901 7.289 1.00 0.00 N ATOM 1501 CA GLU B 42 3.009 12.819 8.713 1.00 0.00 C ATOM 1502 C GLU B 42 2.262 11.521 9.031 1.00 0.00 C ATOM 1503 O GLU B 42 1.416 11.089 8.249 1.00 0.00 O ATOM 1504 CB GLU B 42 2.131 14.025 9.088 1.00 0.00 C ATOM 1505 CG GLU B 42 1.808 14.156 10.579 1.00 0.00 C ATOM 1506 CD GLU B 42 3.066 14.403 11.402 1.00 0.00 C ATOM 1507 OE1 GLU B 42 3.709 13.417 11.828 1.00 0.00 O ATOM 1508 OE2 GLU B 42 3.400 15.587 11.632 1.00 0.00 O ATOM 0 H GLU B 42 2.791 13.528 6.753 1.00 0.00 H new ATOM 0 HA GLU B 42 3.927 12.828 9.301 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.632 14.935 8.760 1.00 0.00 H new ATOM 0 HB3 GLU B 42 1.195 13.959 8.534 1.00 0.00 H new ATOM 0 HG2 GLU B 42 1.106 14.976 10.730 1.00 0.00 H new ATOM 0 HG3 GLU B 42 1.316 13.248 10.927 1.00 0.00 H new ATOM 1515 N TRP B 43 2.553 10.939 10.192 1.00 0.00 N ATOM 1516 CA TRP B 43 1.892 9.742 10.736 1.00 0.00 C ATOM 1517 C TRP B 43 0.962 10.078 11.922 1.00 0.00 C ATOM 1518 O TRP B 43 1.284 10.903 12.783 1.00 0.00 O ATOM 1519 CB TRP B 43 2.944 8.693 11.138 1.00 0.00 C ATOM 1520 CG TRP B 43 3.620 7.975 10.004 1.00 0.00 C ATOM 1521 CD1 TRP B 43 4.470 8.532 9.110 1.00 0.00 C ATOM 1522 CD2 TRP B 43 3.509 6.568 9.613 1.00 0.00 C ATOM 1523 NE1 TRP B 43 4.875 7.586 8.191 1.00 0.00 N ATOM 1524 CE2 TRP B 43 4.308 6.358 8.446 1.00 0.00 C ATOM 1525 CE3 TRP B 43 2.804 5.449 10.113 1.00 0.00 C ATOM 1526 CZ2 TRP B 43 4.392 5.114 7.803 1.00 0.00 C ATOM 1527 CZ3 TRP B 43 2.883 4.194 9.476 1.00 0.00 C ATOM 1528 CH2 TRP B 43 3.668 4.027 8.321 1.00 0.00 C ATOM 0 H TRP B 43 3.283 11.297 10.808 1.00 0.00 H new ATOM 0 HA TRP B 43 1.261 9.326 9.951 1.00 0.00 H new ATOM 0 HB2 TRP B 43 3.709 9.185 11.739 1.00 0.00 H new ATOM 0 HB3 TRP B 43 2.464 7.952 11.778 1.00 0.00 H new ATOM 0 HD1 TRP B 43 4.785 9.565 9.115 1.00 0.00 H new ATOM 0 HE1 TRP B 43 5.515 7.773 7.419 1.00 0.00 H new ATOM 0 HE3 TRP B 43 2.195 5.558 10.998 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 5.005 4.994 6.922 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 2.336 3.354 9.878 1.00 0.00 H new ATOM 0 HH2 TRP B 43 3.714 3.065 7.833 1.00 0.00 H new ATOM 1539 N THR B 44 -0.200 9.428 11.978 1.00 0.00 N ATOM 1540 CA THR B 44 -1.216 9.536 13.048 1.00 0.00 C ATOM 1541 C THR B 44 -1.788 8.143 13.374 1.00 0.00 C ATOM 1542 O THR B 44 -1.779 7.265 12.505 1.00 0.00 O ATOM 1543 CB THR B 44 -2.356 10.484 12.604 1.00 0.00 C ATOM 1544 OG1 THR B 44 -1.852 11.719 12.130 1.00 0.00 O ATOM 1545 CG2 THR B 44 -3.361 10.821 13.707 1.00 0.00 C ATOM 0 H THR B 44 -0.481 8.776 11.245 1.00 0.00 H new ATOM 0 HA THR B 44 -0.745 9.944 13.942 1.00 0.00 H new ATOM 0 HB THR B 44 -2.864 9.924 11.819 1.00 0.00 H new ATOM 0 HG1 THR B 44 -2.598 12.293 11.856 1.00 0.00 H new ATOM 0 HG21 THR B 44 -4.125 11.490 13.311 1.00 0.00 H new ATOM 0 HG22 THR B 44 -3.830 9.904 14.064 1.00 0.00 H new ATOM 0 HG23 THR B 44 -2.844 11.310 14.533 1.00 0.00 H new ATOM 1553 N TYR B 45 -2.317 7.915 14.582 1.00 0.00 N ATOM 1554 CA TYR B 45 -2.973 6.659 14.991 1.00 0.00 C ATOM 1555 C TYR B 45 -4.195 6.915 15.895 1.00 0.00 C ATOM 1556 O TYR B 45 -4.136 7.736 16.816 1.00 0.00 O ATOM 1557 CB TYR B 45 -1.952 5.782 15.738 1.00 0.00 C ATOM 1558 CG TYR B 45 -2.508 4.489 16.320 1.00 0.00 C ATOM 1559 CD1 TYR B 45 -2.984 3.478 15.465 1.00 0.00 C ATOM 1560 CD2 TYR B 45 -2.543 4.284 17.714 1.00 0.00 C ATOM 1561 CE1 TYR B 45 -3.493 2.277 15.991 1.00 0.00 C ATOM 1562 CE2 TYR B 45 -3.046 3.077 18.240 1.00 0.00 C ATOM 1563 CZ TYR B 45 -3.527 2.077 17.379 1.00 0.00 C ATOM 1564 OH TYR B 45 -4.035 0.920 17.883 1.00 0.00 O ATOM 0 H TYR B 45 -2.302 8.615 15.324 1.00 0.00 H new ATOM 0 HA TYR B 45 -3.329 6.153 14.094 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -1.141 5.534 15.053 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -1.517 6.368 16.548 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -2.958 3.625 14.395 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -2.183 5.054 18.381 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -3.858 1.508 15.326 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -3.062 2.921 19.308 1.00 0.00 H new ATOM 0 HH TYR B 45 -4.420 1.090 18.768 1.00 0.00 H new ATOM 1574 N ASP B 46 -5.285 6.183 15.647 1.00 0.00 N ATOM 1575 CA ASP B 46 -6.501 6.109 16.474 1.00 0.00 C ATOM 1576 C ASP B 46 -6.706 4.680 16.980 1.00 0.00 C ATOM 1577 O ASP B 46 -6.982 3.767 16.192 1.00 0.00 O ATOM 1578 CB ASP B 46 -7.725 6.574 15.665 1.00 0.00 C ATOM 1579 CG ASP B 46 -7.711 8.082 15.333 1.00 0.00 C ATOM 1580 OD1 ASP B 46 -8.073 8.896 16.219 1.00 0.00 O ATOM 1581 OD2 ASP B 46 -7.369 8.452 14.184 1.00 0.00 O ATOM 0 H ASP B 46 -5.350 5.592 14.818 1.00 0.00 H new ATOM 0 HA ASP B 46 -6.384 6.770 17.333 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -7.773 6.006 14.736 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -8.630 6.343 16.226 1.00 0.00 H new ATOM 1586 N ASP B 47 -6.574 4.458 18.293 1.00 0.00 N ATOM 1587 CA ASP B 47 -6.669 3.125 18.907 1.00 0.00 C ATOM 1588 C ASP B 47 -8.110 2.600 18.988 1.00 0.00 C ATOM 1589 O ASP B 47 -8.362 1.418 18.786 1.00 0.00 O ATOM 1590 CB ASP B 47 -6.026 3.203 20.303 1.00 0.00 C ATOM 1591 CG ASP B 47 -5.825 1.818 20.930 1.00 0.00 C ATOM 1592 OD1 ASP B 47 -4.963 1.053 20.434 1.00 0.00 O ATOM 1593 OD2 ASP B 47 -6.572 1.469 21.875 1.00 0.00 O ATOM 0 H ASP B 47 -6.397 5.204 18.966 1.00 0.00 H new ATOM 0 HA ASP B 47 -6.139 2.410 18.277 1.00 0.00 H new ATOM 0 HB2 ASP B 47 -5.063 3.709 20.229 1.00 0.00 H new ATOM 0 HB3 ASP B 47 -6.655 3.807 20.957 1.00 0.00 H new ATOM 1598 N ALA B 48 -9.081 3.492 19.170 1.00 0.00 N ATOM 1599 CA ALA B 48 -10.524 3.176 19.207 1.00 0.00 C ATOM 1600 C ALA B 48 -11.098 2.591 17.888 1.00 0.00 C ATOM 1601 O ALA B 48 -12.242 2.133 17.831 1.00 0.00 O ATOM 1602 CB ALA B 48 -11.269 4.458 19.601 1.00 0.00 C ATOM 0 H ALA B 48 -8.890 4.485 19.300 1.00 0.00 H new ATOM 0 HA ALA B 48 -10.668 2.380 19.938 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -12.340 4.260 19.638 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -10.928 4.791 20.581 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -11.069 5.236 18.864 1.00 0.00 H new ATOM 1608 N THR B 49 -10.288 2.637 16.830 1.00 0.00 N ATOM 1609 CA THR B 49 -10.513 1.969 15.537 1.00 0.00 C ATOM 1610 C THR B 49 -9.312 1.126 15.037 1.00 0.00 C ATOM 1611 O THR B 49 -9.273 0.731 13.871 1.00 0.00 O ATOM 1612 CB THR B 49 -11.074 2.994 14.523 1.00 0.00 C ATOM 1613 OG1 THR B 49 -11.553 2.417 13.328 1.00 0.00 O ATOM 1614 CG2 THR B 49 -10.091 4.114 14.192 1.00 0.00 C ATOM 0 H THR B 49 -9.415 3.164 16.847 1.00 0.00 H new ATOM 0 HA THR B 49 -11.273 1.199 15.671 1.00 0.00 H new ATOM 0 HB THR B 49 -11.927 3.426 15.046 1.00 0.00 H new ATOM 0 HG1 THR B 49 -10.981 1.662 13.077 1.00 0.00 H new ATOM 0 HG21 THR B 49 -10.546 4.798 13.476 1.00 0.00 H new ATOM 0 HG22 THR B 49 -9.838 4.657 15.103 1.00 0.00 H new ATOM 0 HG23 THR B 49 -9.185 3.688 13.761 1.00 0.00 H new ATOM 1622 N LYS B 50 -8.299 0.850 15.877 1.00 0.00 N ATOM 1623 CA LYS B 50 -7.036 0.159 15.521 1.00 0.00 C ATOM 1624 C LYS B 50 -6.429 0.570 14.159 1.00 0.00 C ATOM 1625 O LYS B 50 -5.952 -0.268 13.386 1.00 0.00 O ATOM 1626 CB LYS B 50 -7.213 -1.369 15.653 1.00 0.00 C ATOM 1627 CG LYS B 50 -7.760 -1.851 17.006 1.00 0.00 C ATOM 1628 CD LYS B 50 -6.916 -1.381 18.198 1.00 0.00 C ATOM 1629 CE LYS B 50 -7.570 -1.847 19.502 1.00 0.00 C ATOM 1630 NZ LYS B 50 -7.019 -1.157 20.684 1.00 0.00 N ATOM 0 H LYS B 50 -8.334 1.110 16.863 1.00 0.00 H new ATOM 0 HA LYS B 50 -6.290 0.494 16.242 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -7.885 -1.710 14.865 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -6.249 -1.847 15.478 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -8.782 -1.491 17.127 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -7.804 -2.940 17.006 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -5.905 -1.782 18.122 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -6.829 -0.294 18.190 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -8.644 -1.671 19.450 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -7.428 -2.922 19.613 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -6.914 -1.836 21.465 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -6.090 -0.754 20.449 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -7.664 -0.394 20.973 1.00 0.00 H new ATOM 1644 N THR B 51 -6.472 1.867 13.849 1.00 0.00 N ATOM 1645 CA THR B 51 -6.130 2.373 12.498 1.00 0.00 C ATOM 1646 C THR B 51 -5.082 3.488 12.527 1.00 0.00 C ATOM 1647 O THR B 51 -5.146 4.413 13.339 1.00 0.00 O ATOM 1648 CB THR B 51 -7.379 2.842 11.721 1.00 0.00 C ATOM 1649 OG1 THR B 51 -8.319 1.800 11.562 1.00 0.00 O ATOM 1650 CG2 THR B 51 -7.076 3.328 10.300 1.00 0.00 C ATOM 0 H THR B 51 -6.740 2.596 14.510 1.00 0.00 H new ATOM 0 HA THR B 51 -5.694 1.523 11.973 1.00 0.00 H new ATOM 0 HB THR B 51 -7.765 3.661 12.328 1.00 0.00 H new ATOM 0 HG1 THR B 51 -8.686 1.554 12.437 1.00 0.00 H new ATOM 0 HG21 THR B 51 -8.002 3.641 9.817 1.00 0.00 H new ATOM 0 HG22 THR B 51 -6.386 4.171 10.343 1.00 0.00 H new ATOM 0 HG23 THR B 51 -6.624 2.518 9.727 1.00 0.00 H new ATOM 1658 N PHE B 52 -4.126 3.408 11.603 1.00 0.00 N ATOM 1659 CA PHE B 52 -3.042 4.350 11.341 1.00 0.00 C ATOM 1660 C PHE B 52 -3.358 5.151 10.066 1.00 0.00 C ATOM 1661 O PHE B 52 -3.943 4.618 9.121 1.00 0.00 O ATOM 1662 CB PHE B 52 -1.733 3.577 11.117 1.00 0.00 C ATOM 1663 CG PHE B 52 -1.187 2.894 12.352 1.00 0.00 C ATOM 1664 CD1 PHE B 52 -1.593 1.586 12.683 1.00 0.00 C ATOM 1665 CD2 PHE B 52 -0.291 3.584 13.188 1.00 0.00 C ATOM 1666 CE1 PHE B 52 -1.125 0.981 13.861 1.00 0.00 C ATOM 1667 CE2 PHE B 52 0.171 2.981 14.369 1.00 0.00 C ATOM 1668 CZ PHE B 52 -0.257 1.688 14.710 1.00 0.00 C ATOM 0 H PHE B 52 -4.088 2.614 10.964 1.00 0.00 H new ATOM 0 HA PHE B 52 -2.939 5.022 12.193 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -1.897 2.826 10.345 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -0.980 4.266 10.736 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -2.265 1.048 12.030 1.00 0.00 H new ATOM 0 HD2 PHE B 52 0.041 4.577 12.922 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -1.431 -0.024 14.113 1.00 0.00 H new ATOM 0 HE2 PHE B 52 0.855 3.512 15.015 1.00 0.00 H new ATOM 0 HZ PHE B 52 0.083 1.235 15.629 1.00 0.00 H new ATOM 1678 N THR B 53 -2.959 6.415 10.020 1.00 0.00 N ATOM 1679 CA THR B 53 -3.144 7.293 8.854 1.00 0.00 C ATOM 1680 C THR B 53 -1.821 7.976 8.488 1.00 0.00 C ATOM 1681 O THR B 53 -1.087 8.434 9.368 1.00 0.00 O ATOM 1682 CB THR B 53 -4.231 8.351 9.132 1.00 0.00 C ATOM 1683 OG1 THR B 53 -5.435 7.745 9.557 1.00 0.00 O ATOM 1684 CG2 THR B 53 -4.579 9.196 7.904 1.00 0.00 C ATOM 0 H THR B 53 -2.489 6.874 10.800 1.00 0.00 H new ATOM 0 HA THR B 53 -3.469 6.680 8.013 1.00 0.00 H new ATOM 0 HB THR B 53 -3.806 8.990 9.906 1.00 0.00 H new ATOM 0 HG1 THR B 53 -6.107 8.437 9.728 1.00 0.00 H new ATOM 0 HG21 THR B 53 -5.350 9.921 8.167 1.00 0.00 H new ATOM 0 HG22 THR B 53 -3.688 9.722 7.560 1.00 0.00 H new ATOM 0 HG23 THR B 53 -4.947 8.548 7.109 1.00 0.00 H new ATOM 1692 N VAL B 54 -1.526 8.053 7.189 1.00 0.00 N ATOM 1693 CA VAL B 54 -0.343 8.713 6.599 1.00 0.00 C ATOM 1694 C VAL B 54 -0.804 9.799 5.625 1.00 0.00 C ATOM 1695 O VAL B 54 -1.657 9.540 4.777 1.00 0.00 O ATOM 1696 CB VAL B 54 0.571 7.705 5.868 1.00 0.00 C ATOM 1697 CG1 VAL B 54 1.815 8.388 5.278 1.00 0.00 C ATOM 1698 CG2 VAL B 54 1.062 6.615 6.825 1.00 0.00 C ATOM 0 H VAL B 54 -2.130 7.639 6.479 1.00 0.00 H new ATOM 0 HA VAL B 54 0.238 9.156 7.408 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.032 7.274 5.068 1.00 0.00 H new ATOM 0 HG11 VAL B 54 2.432 7.646 4.772 1.00 0.00 H new ATOM 0 HG12 VAL B 54 1.507 9.151 4.563 1.00 0.00 H new ATOM 0 HG13 VAL B 54 2.390 8.852 6.079 1.00 0.00 H new ATOM 0 HG21 VAL B 54 1.703 5.919 6.285 1.00 0.00 H new ATOM 0 HG22 VAL B 54 1.626 7.072 7.638 1.00 0.00 H new ATOM 0 HG23 VAL B 54 0.206 6.078 7.234 1.00 0.00 H new ATOM 1708 N THR B 55 -0.260 11.010 5.748 1.00 0.00 N ATOM 1709 CA THR B 55 -0.649 12.168 4.922 1.00 0.00 C ATOM 1710 C THR B 55 0.579 12.939 4.406 1.00 0.00 C ATOM 1711 O THR B 55 1.368 13.459 5.203 1.00 0.00 O ATOM 1712 CB THR B 55 -1.631 13.086 5.678 1.00 0.00 C ATOM 1713 OG1 THR B 55 -2.809 12.384 6.015 1.00 0.00 O ATOM 1714 CG2 THR B 55 -2.071 14.301 4.860 1.00 0.00 C ATOM 0 H THR B 55 0.470 11.223 6.428 1.00 0.00 H new ATOM 0 HA THR B 55 -1.171 11.786 4.044 1.00 0.00 H new ATOM 0 HB THR B 55 -1.086 13.420 6.561 1.00 0.00 H new ATOM 0 HG1 THR B 55 -3.420 12.981 6.495 1.00 0.00 H new ATOM 0 HG21 THR B 55 -2.761 14.906 5.449 1.00 0.00 H new ATOM 0 HG22 THR B 55 -1.198 14.898 4.598 1.00 0.00 H new ATOM 0 HG23 THR B 55 -2.568 13.966 3.950 1.00 0.00 H new ATOM 1722 N GLU B 56 0.748 12.977 3.075 1.00 0.00 N ATOM 1723 CA GLU B 56 1.811 13.708 2.351 1.00 0.00 C ATOM 1724 C GLU B 56 1.834 15.208 2.679 1.00 0.00 C ATOM 1725 O GLU B 56 0.781 15.869 2.545 1.00 0.00 O ATOM 1726 CB GLU B 56 1.680 13.487 0.839 1.00 0.00 C ATOM 1727 CG GLU B 56 3.007 13.719 0.123 1.00 0.00 C ATOM 1728 CD GLU B 56 2.829 13.703 -1.386 1.00 0.00 C ATOM 1729 OE1 GLU B 56 2.396 12.662 -1.925 1.00 0.00 O ATOM 1730 OE2 GLU B 56 3.125 14.739 -2.023 1.00 0.00 O ATOM 1731 OXT GLU B 56 2.910 15.710 3.067 1.00 0.00 O ATOM 0 H GLU B 56 0.122 12.479 2.442 1.00 0.00 H new ATOM 0 HA GLU B 56 2.762 13.300 2.692 1.00 0.00 H new ATOM 0 HB2 GLU B 56 1.335 12.471 0.647 1.00 0.00 H new ATOM 0 HB3 GLU B 56 0.925 14.162 0.436 1.00 0.00 H new ATOM 0 HG2 GLU B 56 3.427 14.676 0.432 1.00 0.00 H new ATOM 0 HG3 GLU B 56 3.720 12.949 0.416 1.00 0.00 H new TER 1738 GLU B 56