USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 844 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 -62:sc= 0.513 USER MOD Set 1.2: B 51 THR OG1 : rot 105:sc= 0.17 USER MOD Set 2.1: B 44 THR OG1 : rot 59:sc= 1.16! USER MOD Set 2.2: B 53 THR OG1 : rot 77:sc= 1.54 USER MOD Set 3.1: A 49 THR OG1 : rot -62:sc= 0.329 USER MOD Set 3.2: A 51 THR OG1 : rot 53:sc= 0.386 USER MOD Set 4.1: A 44 THR OG1 : rot 52:sc= 1.15 USER MOD Set 4.2: A 53 THR OG1 : rot 85:sc= 1.54 USER MOD Single : A 1 MET CE :methyl 162:sc= 0 (180deg=-0.0528) USER MOD Single : A 1 MET N :NH3+ -150:sc= 0.544 (180deg=0.358) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 TYR OH : rot 180:sc= -0.0532 USER MOD Single : A 4 LYS NZ :NH3+ 165:sc= -0.0805 (180deg=-0.338) USER MOD Single : A 8 ASN : amide:sc= -0.643 K(o=-0.64,f=-2.8!) USER MOD Single : A 10 LYS NZ :NH3+ 168:sc= -0.026 (180deg=-0.202) USER MOD Single : A 11 THR OG1 : rot -140:sc= -2.31 USER MOD Single : A 13 LYS NZ :NH3+ 159:sc= 0.0862 (180deg=-0.324) USER MOD Single : A 16 THR OG1 : rot 160:sc= -4.76! USER MOD Single : A 17 THR OG1 : rot 32:sc= 0.412 USER MOD Single : A 18 THR OG1 : rot 31:sc= 0.587 USER MOD Single : A 25 THR OG1 : rot -24:sc= -2.31! USER MOD Single : A 28 LYS NZ :NH3+ 139:sc= -2.71! (180deg=-5.16!) USER MOD Single : A 31 LYS NZ :NH3+ -176:sc= -2.43 (180deg=-2.79!) USER MOD Single : A 32 GLN :FLIP amide:sc= -1.87! F(o=-3.4,f=-1.9!) USER MOD Single : A 35 ASN : amide:sc= -5.03! C(o=-5!,f=-5.3!) USER MOD Single : A 37 ASN : amide:sc= -6.12! C(o=-6.1!,f=-6.6!) USER MOD Single : A 45 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 162:sc= 0 (180deg=-0.0504) USER MOD Single : B 1 MET N :NH3+ -149:sc= 0.544 (180deg=0.361) USER MOD Single : B 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 3 TYR OH : rot 180:sc= -0.0533 USER MOD Single : B 4 LYS NZ :NH3+ 164:sc= -0.0714 (180deg=-0.336) USER MOD Single : B 8 ASN : amide:sc= -0.608 K(o=-0.61,f=-2.7!) USER MOD Single : B 10 LYS NZ :NH3+ 168:sc= -0.0191 (180deg=-0.207) USER MOD Single : B 11 THR OG1 : rot -140:sc= -2.31 USER MOD Single : B 13 LYS NZ :NH3+ 160:sc= 0.094 (180deg=-0.314) USER MOD Single : B 16 THR OG1 : rot 180:sc= -4.74! USER MOD Single : B 17 THR OG1 : rot 34:sc= 0.425 USER MOD Single : B 18 THR OG1 : rot 31:sc= 0.582 USER MOD Single : B 25 THR OG1 : rot -21:sc= -2.25! USER MOD Single : B 28 LYS NZ :NH3+ 146:sc= -2.73! (180deg=-5.16!) USER MOD Single : B 31 LYS NZ :NH3+ -172:sc= -2.41 (180deg=-2.78!) USER MOD Single : B 32 GLN :FLIP amide:sc= -1.73! F(o=-3.4,f=-1.7!) USER MOD Single : B 35 ASN : amide:sc= -5.07! C(o=-5.1!,f=-4.9!) USER MOD Single : B 37 ASN : amide:sc= -6.01! C(o=-6!,f=-6.6!) USER MOD Single : B 45 TYR OH : rot 180:sc= -1.01 USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.767 -18.772 1.825 1.00 0.00 N ATOM 2 CA MET A 1 6.576 -17.968 0.874 1.00 0.00 C ATOM 3 C MET A 1 6.290 -16.478 1.024 1.00 0.00 C ATOM 4 O MET A 1 5.180 -16.080 1.380 1.00 0.00 O ATOM 5 CB MET A 1 6.252 -18.426 -0.553 1.00 0.00 C ATOM 6 CG MET A 1 6.997 -17.650 -1.628 1.00 0.00 C ATOM 7 SD MET A 1 8.788 -17.816 -1.496 1.00 0.00 S ATOM 8 CE MET A 1 9.320 -16.834 -2.894 1.00 0.00 C ATOM 0 H1 MET A 1 6.287 -19.636 2.079 1.00 0.00 H new ATOM 0 H2 MET A 1 5.583 -18.214 2.683 1.00 0.00 H new ATOM 0 H3 MET A 1 4.863 -19.030 1.380 1.00 0.00 H new ATOM 0 HA MET A 1 7.633 -18.122 1.089 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.493 -19.485 -0.649 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.180 -18.326 -0.723 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.676 -17.999 -2.610 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.729 -16.596 -1.561 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.371 -16.570 -2.775 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.192 -17.408 -3.812 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.722 -15.924 -2.948 1.00 0.00 H new ATOM 20 N GLN A 2 7.295 -15.661 0.733 1.00 0.00 N ATOM 21 CA GLN A 2 7.156 -14.214 0.815 1.00 0.00 C ATOM 22 C GLN A 2 7.026 -13.623 -0.583 1.00 0.00 C ATOM 23 O GLN A 2 7.673 -14.084 -1.523 1.00 0.00 O ATOM 24 CB GLN A 2 8.359 -13.598 1.535 1.00 0.00 C ATOM 25 CG GLN A 2 8.287 -12.084 1.658 1.00 0.00 C ATOM 26 CD GLN A 2 9.487 -11.498 2.376 1.00 0.00 C ATOM 27 OE1 GLN A 2 9.760 -11.831 3.528 1.00 0.00 O ATOM 28 NE2 GLN A 2 10.211 -10.616 1.696 1.00 0.00 N ATOM 0 H GLN A 2 8.218 -15.978 0.437 1.00 0.00 H new ATOM 0 HA GLN A 2 6.256 -13.984 1.385 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.436 -14.032 2.532 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.269 -13.867 0.999 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.214 -11.646 0.663 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.378 -11.810 2.194 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.949 -10.368 0.742 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.029 -10.187 2.128 1.00 0.00 H new ATOM 37 N TYR A 3 6.183 -12.608 -0.719 1.00 0.00 N ATOM 38 CA TYR A 3 5.970 -11.966 -2.008 1.00 0.00 C ATOM 39 C TYR A 3 6.166 -10.457 -1.913 1.00 0.00 C ATOM 40 O TYR A 3 5.834 -9.840 -0.901 1.00 0.00 O ATOM 41 CB TYR A 3 4.569 -12.290 -2.533 1.00 0.00 C ATOM 42 CG TYR A 3 4.374 -13.756 -2.858 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.203 -14.696 -1.849 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.374 -14.199 -4.173 1.00 0.00 C ATOM 45 CE1 TYR A 3 4.034 -16.036 -2.144 1.00 0.00 C ATOM 46 CE2 TYR A 3 4.208 -15.536 -4.477 1.00 0.00 C ATOM 47 CZ TYR A 3 4.038 -16.451 -3.460 1.00 0.00 C ATOM 48 OH TYR A 3 3.873 -17.784 -3.758 1.00 0.00 O ATOM 0 H TYR A 3 5.637 -12.213 0.046 1.00 0.00 H new ATOM 0 HA TYR A 3 6.710 -12.356 -2.707 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.831 -11.989 -1.789 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.378 -11.698 -3.428 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.202 -14.375 -0.818 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.506 -13.486 -4.973 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.900 -16.754 -1.349 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.211 -15.863 -5.506 1.00 0.00 H new ATOM 0 HH TYR A 3 3.899 -17.908 -4.730 1.00 0.00 H new ATOM 58 N LYS A 4 6.706 -9.872 -2.977 1.00 0.00 N ATOM 59 CA LYS A 4 6.949 -8.433 -3.022 1.00 0.00 C ATOM 60 C LYS A 4 5.836 -7.729 -3.789 1.00 0.00 C ATOM 61 O LYS A 4 5.745 -7.843 -5.009 1.00 0.00 O ATOM 62 CB LYS A 4 8.301 -8.145 -3.682 1.00 0.00 C ATOM 63 CG LYS A 4 8.632 -6.664 -3.786 1.00 0.00 C ATOM 64 CD LYS A 4 8.816 -6.033 -2.415 1.00 0.00 C ATOM 65 CE LYS A 4 10.021 -6.613 -1.690 1.00 0.00 C ATOM 66 NZ LYS A 4 11.282 -6.417 -2.460 1.00 0.00 N ATOM 0 H LYS A 4 6.984 -10.372 -3.821 1.00 0.00 H new ATOM 0 HA LYS A 4 6.965 -8.053 -2.000 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.086 -8.644 -3.113 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.306 -8.580 -4.682 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.542 -6.534 -4.372 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.833 -6.149 -4.320 1.00 0.00 H new ATOM 0 HD2 LYS A 4 8.939 -4.955 -2.523 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.919 -6.193 -1.817 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.117 -6.142 -0.711 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.863 -7.678 -1.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.098 -6.589 -1.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.308 -7.083 -3.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.320 -5.442 -2.821 1.00 0.00 H new ATOM 80 N VAL A 5 4.996 -6.995 -3.072 1.00 0.00 N ATOM 81 CA VAL A 5 3.899 -6.275 -3.699 1.00 0.00 C ATOM 82 C VAL A 5 4.301 -4.836 -4.002 1.00 0.00 C ATOM 83 O VAL A 5 4.771 -4.112 -3.128 1.00 0.00 O ATOM 84 CB VAL A 5 2.639 -6.275 -2.807 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.481 -5.583 -3.510 1.00 0.00 C ATOM 86 CG2 VAL A 5 2.260 -7.697 -2.417 1.00 0.00 C ATOM 0 H VAL A 5 5.054 -6.883 -2.060 1.00 0.00 H new ATOM 0 HA VAL A 5 3.667 -6.791 -4.631 1.00 0.00 H new ATOM 0 HB VAL A 5 2.864 -5.719 -1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.604 -5.595 -2.863 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.754 -4.552 -3.732 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.254 -6.106 -4.439 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.370 -7.677 -1.788 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.056 -8.279 -3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.082 -8.155 -1.867 1.00 0.00 H new ATOM 96 N ILE A 6 4.118 -4.437 -5.251 1.00 0.00 N ATOM 97 CA ILE A 6 4.462 -3.092 -5.690 1.00 0.00 C ATOM 98 C ILE A 6 3.210 -2.237 -5.859 1.00 0.00 C ATOM 99 O ILE A 6 2.337 -2.551 -6.667 1.00 0.00 O ATOM 100 CB ILE A 6 5.238 -3.126 -7.025 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.549 -3.898 -6.858 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.509 -1.714 -7.528 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.360 -3.995 -8.131 1.00 0.00 C ATOM 0 H ILE A 6 3.730 -5.030 -5.984 1.00 0.00 H new ATOM 0 HA ILE A 6 5.096 -2.652 -4.920 1.00 0.00 H new ATOM 0 HB ILE A 6 4.625 -3.638 -7.766 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.151 -3.413 -6.089 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.326 -4.904 -6.501 1.00 0.00 H new ATOM 0 HG21 ILE A 6 6.057 -1.762 -8.469 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.563 -1.196 -7.684 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.102 -1.173 -6.791 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.275 -4.555 -7.938 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.776 -4.507 -8.896 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.614 -2.993 -8.478 1.00 0.00 H new ATOM 115 N LEU A 7 3.136 -1.153 -5.099 1.00 0.00 N ATOM 116 CA LEU A 7 1.997 -0.247 -5.173 1.00 0.00 C ATOM 117 C LEU A 7 2.357 0.944 -6.054 1.00 0.00 C ATOM 118 O LEU A 7 2.870 1.956 -5.575 1.00 0.00 O ATOM 119 CB LEU A 7 1.600 0.211 -3.768 1.00 0.00 C ATOM 120 CG LEU A 7 1.659 -0.879 -2.701 1.00 0.00 C ATOM 121 CD1 LEU A 7 1.089 -0.366 -1.388 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.915 -2.122 -3.169 1.00 0.00 C ATOM 0 H LEU A 7 3.850 -0.879 -4.424 1.00 0.00 H new ATOM 0 HA LEU A 7 1.144 -0.763 -5.613 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.255 1.029 -3.469 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.587 0.611 -3.804 1.00 0.00 H new ATOM 0 HG LEU A 7 2.702 -1.151 -2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.138 -1.155 -0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.669 0.493 -1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.051 -0.068 -1.534 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.967 -2.889 -2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.128 -1.871 -3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.373 -2.497 -4.084 1.00 0.00 H new ATOM 134 N ASN A 8 2.126 0.793 -7.355 1.00 0.00 N ATOM 135 CA ASN A 8 2.468 1.827 -8.326 1.00 0.00 C ATOM 136 C ASN A 8 1.300 2.761 -8.636 1.00 0.00 C ATOM 137 O ASN A 8 0.397 2.421 -9.397 1.00 0.00 O ATOM 138 CB ASN A 8 2.956 1.167 -9.617 1.00 0.00 C ATOM 139 CG ASN A 8 3.487 2.167 -10.622 1.00 0.00 C ATOM 140 OD1 ASN A 8 2.795 3.109 -11.009 1.00 0.00 O ATOM 141 ND2 ASN A 8 4.722 1.955 -11.061 1.00 0.00 N ATOM 0 H ASN A 8 1.701 -0.040 -7.762 1.00 0.00 H new ATOM 0 HA ASN A 8 3.255 2.439 -7.885 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.739 0.448 -9.378 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.136 0.608 -10.066 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.135 2.586 -11.748 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.258 1.161 -10.712 1.00 0.00 H new ATOM 148 N GLY A 9 1.341 3.951 -8.057 1.00 0.00 N ATOM 149 CA GLY A 9 0.304 4.935 -8.295 1.00 0.00 C ATOM 150 C GLY A 9 0.860 6.196 -8.920 1.00 0.00 C ATOM 151 O GLY A 9 2.027 6.532 -8.716 1.00 0.00 O ATOM 0 H GLY A 9 2.079 4.255 -7.422 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.457 4.510 -8.949 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.186 5.182 -7.353 1.00 0.00 H new ATOM 155 N LYS A 10 0.034 6.895 -9.687 1.00 0.00 N ATOM 156 CA LYS A 10 0.466 8.120 -10.347 1.00 0.00 C ATOM 157 C LYS A 10 1.127 9.088 -9.363 1.00 0.00 C ATOM 158 O LYS A 10 2.235 9.570 -9.601 1.00 0.00 O ATOM 159 CB LYS A 10 -0.718 8.810 -11.031 1.00 0.00 C ATOM 160 CG LYS A 10 -1.163 8.143 -12.325 1.00 0.00 C ATOM 161 CD LYS A 10 -1.623 6.713 -12.098 1.00 0.00 C ATOM 162 CE LYS A 10 -2.133 6.084 -13.383 1.00 0.00 C ATOM 163 NZ LYS A 10 -1.088 6.067 -14.444 1.00 0.00 N ATOM 0 H LYS A 10 -0.936 6.636 -9.867 1.00 0.00 H new ATOM 0 HA LYS A 10 1.204 7.840 -11.099 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.560 8.834 -10.339 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.449 9.845 -11.242 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.975 8.719 -12.769 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.339 8.150 -13.039 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.796 6.121 -11.705 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.412 6.698 -11.346 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.464 5.065 -13.182 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.002 6.637 -13.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.398 5.457 -15.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.936 7.033 -14.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.199 5.699 -14.050 1.00 0.00 H new ATOM 177 N THR A 11 0.433 9.379 -8.269 1.00 0.00 N ATOM 178 CA THR A 11 0.931 10.299 -7.258 1.00 0.00 C ATOM 179 C THR A 11 1.544 9.557 -6.077 1.00 0.00 C ATOM 180 O THR A 11 2.116 10.173 -5.178 1.00 0.00 O ATOM 181 CB THR A 11 -0.214 11.183 -6.771 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.351 10.397 -6.461 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.635 12.233 -7.777 1.00 0.00 C ATOM 0 H THR A 11 -0.485 8.986 -8.060 1.00 0.00 H new ATOM 0 HA THR A 11 1.712 10.910 -7.710 1.00 0.00 H new ATOM 0 HB THR A 11 0.168 11.692 -5.886 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.161 10.859 -6.763 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.452 12.825 -7.365 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.210 12.885 -7.997 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.966 11.746 -8.694 1.00 0.00 H new ATOM 191 N LEU A 12 1.419 8.237 -6.076 1.00 0.00 N ATOM 192 CA LEU A 12 1.960 7.430 -4.996 1.00 0.00 C ATOM 193 C LEU A 12 2.714 6.227 -5.542 1.00 0.00 C ATOM 194 O LEU A 12 2.245 5.559 -6.453 1.00 0.00 O ATOM 195 CB LEU A 12 0.830 6.979 -4.066 1.00 0.00 C ATOM 196 CG LEU A 12 1.266 6.128 -2.880 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.473 6.756 -2.211 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.122 5.969 -1.890 1.00 0.00 C ATOM 0 H LEU A 12 0.949 7.706 -6.809 1.00 0.00 H new ATOM 0 HA LEU A 12 2.665 8.038 -4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.317 7.864 -3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.104 6.414 -4.650 1.00 0.00 H new ATOM 0 HG LEU A 12 1.543 5.136 -3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.780 6.143 -1.364 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.292 6.822 -2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.216 7.756 -1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.451 5.358 -1.049 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.185 6.950 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.721 5.484 -2.383 1.00 0.00 H new ATOM 210 N LYS A 13 3.882 5.957 -4.977 1.00 0.00 N ATOM 211 CA LYS A 13 4.697 4.828 -5.415 1.00 0.00 C ATOM 212 C LYS A 13 5.428 4.204 -4.233 1.00 0.00 C ATOM 213 O LYS A 13 5.867 4.908 -3.324 1.00 0.00 O ATOM 214 CB LYS A 13 5.697 5.275 -6.481 1.00 0.00 C ATOM 215 CG LYS A 13 5.040 5.835 -7.733 1.00 0.00 C ATOM 216 CD LYS A 13 6.072 6.268 -8.761 1.00 0.00 C ATOM 217 CE LYS A 13 5.412 6.820 -10.015 1.00 0.00 C ATOM 218 NZ LYS A 13 4.554 8.000 -9.719 1.00 0.00 N ATOM 0 H LYS A 13 4.288 6.502 -4.216 1.00 0.00 H new ATOM 0 HA LYS A 13 4.037 4.076 -5.849 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.355 6.033 -6.056 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.324 4.427 -6.758 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.385 5.081 -8.169 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.413 6.685 -7.466 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.723 7.027 -8.327 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.703 5.419 -9.024 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.180 7.102 -10.735 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.809 6.041 -10.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.413 8.554 -10.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.632 7.678 -9.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.016 8.594 -9.001 1.00 0.00 H new ATOM 232 N GLY A 14 5.559 2.881 -4.247 1.00 0.00 N ATOM 233 CA GLY A 14 6.240 2.203 -3.162 1.00 0.00 C ATOM 234 C GLY A 14 6.325 0.703 -3.355 1.00 0.00 C ATOM 235 O GLY A 14 6.037 0.187 -4.435 1.00 0.00 O ATOM 0 H GLY A 14 5.208 2.271 -4.985 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.247 2.608 -3.065 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.720 2.414 -2.227 1.00 0.00 H new ATOM 239 N GLU A 15 6.725 0.004 -2.297 1.00 0.00 N ATOM 240 CA GLU A 15 6.852 -1.446 -2.333 1.00 0.00 C ATOM 241 C GLU A 15 6.522 -2.052 -0.972 1.00 0.00 C ATOM 242 O GLU A 15 6.855 -1.486 0.069 1.00 0.00 O ATOM 243 CB GLU A 15 8.266 -1.845 -2.759 1.00 0.00 C ATOM 244 CG GLU A 15 8.645 -1.352 -4.147 1.00 0.00 C ATOM 245 CD GLU A 15 10.040 -1.780 -4.558 1.00 0.00 C ATOM 246 OE1 GLU A 15 10.293 -3.001 -4.617 1.00 0.00 O ATOM 247 OE2 GLU A 15 10.879 -0.894 -4.825 1.00 0.00 O ATOM 0 H GLU A 15 6.968 0.423 -1.399 1.00 0.00 H new ATOM 0 HA GLU A 15 6.141 -1.833 -3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.979 -1.451 -2.035 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.352 -2.931 -2.732 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.925 -1.731 -4.872 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.581 -0.264 -4.172 1.00 0.00 H new ATOM 254 N THR A 16 5.858 -3.200 -0.993 1.00 0.00 N ATOM 255 CA THR A 16 5.471 -3.889 0.232 1.00 0.00 C ATOM 256 C THR A 16 5.653 -5.402 0.093 1.00 0.00 C ATOM 257 O THR A 16 5.898 -5.903 -1.001 1.00 0.00 O ATOM 258 CB THR A 16 4.023 -3.546 0.604 1.00 0.00 C ATOM 259 OG1 THR A 16 3.498 -4.514 1.473 1.00 0.00 O ATOM 260 CG2 THR A 16 3.086 -3.440 -0.583 1.00 0.00 C ATOM 0 H THR A 16 5.575 -3.676 -1.849 1.00 0.00 H new ATOM 0 HA THR A 16 6.124 -3.548 1.035 1.00 0.00 H new ATOM 0 HB THR A 16 4.079 -2.565 1.076 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.726 -4.142 1.949 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.083 -3.195 -0.234 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.438 -2.657 -1.255 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.063 -4.391 -1.114 1.00 0.00 H new ATOM 268 N THR A 17 5.552 -6.125 1.211 1.00 0.00 N ATOM 269 CA THR A 17 5.730 -7.577 1.191 1.00 0.00 C ATOM 270 C THR A 17 4.801 -8.307 2.166 1.00 0.00 C ATOM 271 O THR A 17 4.851 -8.087 3.376 1.00 0.00 O ATOM 272 CB THR A 17 7.181 -7.929 1.518 1.00 0.00 C ATOM 273 OG1 THR A 17 7.551 -7.408 2.783 1.00 0.00 O ATOM 274 CG2 THR A 17 8.168 -7.408 0.500 1.00 0.00 C ATOM 0 H THR A 17 5.350 -5.734 2.131 1.00 0.00 H new ATOM 0 HA THR A 17 5.473 -7.909 0.185 1.00 0.00 H new ATOM 0 HB THR A 17 7.221 -9.018 1.513 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.770 -7.399 3.374 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.178 -7.693 0.793 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.941 -7.833 -0.478 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.098 -6.321 0.449 1.00 0.00 H new ATOM 282 N THR A 18 3.980 -9.202 1.620 1.00 0.00 N ATOM 283 CA THR A 18 3.056 -10.010 2.418 1.00 0.00 C ATOM 284 C THR A 18 3.576 -11.445 2.501 1.00 0.00 C ATOM 285 O THR A 18 4.148 -11.958 1.539 1.00 0.00 O ATOM 286 CB THR A 18 1.660 -10.008 1.789 1.00 0.00 C ATOM 287 OG1 THR A 18 0.739 -10.692 2.618 1.00 0.00 O ATOM 288 CG2 THR A 18 1.618 -10.660 0.421 1.00 0.00 C ATOM 0 H THR A 18 3.935 -9.388 0.618 1.00 0.00 H new ATOM 0 HA THR A 18 2.990 -9.582 3.418 1.00 0.00 H new ATOM 0 HB THR A 18 1.392 -8.957 1.681 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.000 -10.584 3.556 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.600 -10.625 0.032 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.284 -10.126 -0.257 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.939 -11.698 0.503 1.00 0.00 H new ATOM 296 N GLU A 19 3.367 -12.093 3.638 1.00 0.00 N ATOM 297 CA GLU A 19 3.810 -13.472 3.823 1.00 0.00 C ATOM 298 C GLU A 19 2.620 -14.417 3.724 1.00 0.00 C ATOM 299 O GLU A 19 1.736 -14.401 4.580 1.00 0.00 O ATOM 300 CB GLU A 19 4.499 -13.636 5.178 1.00 0.00 C ATOM 301 CG GLU A 19 4.990 -15.050 5.446 1.00 0.00 C ATOM 302 CD GLU A 19 6.011 -15.517 4.426 1.00 0.00 C ATOM 303 OE1 GLU A 19 7.067 -14.864 4.301 1.00 0.00 O ATOM 304 OE2 GLU A 19 5.753 -16.537 3.753 1.00 0.00 O ATOM 0 H GLU A 19 2.894 -11.689 4.447 1.00 0.00 H new ATOM 0 HA GLU A 19 4.526 -13.717 3.039 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.345 -12.951 5.231 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.804 -13.346 5.966 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.430 -15.095 6.442 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.140 -15.732 5.442 1.00 0.00 H new ATOM 311 N ALA A 20 2.588 -15.234 2.674 1.00 0.00 N ATOM 312 CA ALA A 20 1.484 -16.166 2.480 1.00 0.00 C ATOM 313 C ALA A 20 1.958 -17.494 1.892 1.00 0.00 C ATOM 314 O ALA A 20 2.942 -17.550 1.157 1.00 0.00 O ATOM 315 CB ALA A 20 0.431 -15.540 1.582 1.00 0.00 C ATOM 0 H ALA A 20 3.307 -15.269 1.952 1.00 0.00 H new ATOM 0 HA ALA A 20 1.050 -16.377 3.457 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.391 -16.242 1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.054 -14.628 2.044 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.873 -15.301 0.615 1.00 0.00 H new ATOM 321 N VAL A 21 1.248 -18.559 2.249 1.00 0.00 N ATOM 322 CA VAL A 21 1.580 -19.907 1.791 1.00 0.00 C ATOM 323 C VAL A 21 1.753 -19.968 0.272 1.00 0.00 C ATOM 324 O VAL A 21 2.467 -20.827 -0.244 1.00 0.00 O ATOM 325 CB VAL A 21 0.488 -20.910 2.204 1.00 0.00 C ATOM 326 CG1 VAL A 21 0.917 -22.334 1.882 1.00 0.00 C ATOM 327 CG2 VAL A 21 0.159 -20.761 3.682 1.00 0.00 C ATOM 0 H VAL A 21 0.432 -18.515 2.859 1.00 0.00 H new ATOM 0 HA VAL A 21 2.526 -20.172 2.263 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.414 -20.693 1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.131 -23.027 2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.094 -22.427 0.810 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.834 -22.569 2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.615 -21.478 3.957 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.054 -20.949 4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.198 -19.750 3.875 1.00 0.00 H new ATOM 337 N ASP A 22 1.107 -19.050 -0.439 1.00 0.00 N ATOM 338 CA ASP A 22 1.206 -19.010 -1.896 1.00 0.00 C ATOM 339 C ASP A 22 0.906 -17.616 -2.436 1.00 0.00 C ATOM 340 O ASP A 22 0.600 -16.697 -1.677 1.00 0.00 O ATOM 341 CB ASP A 22 0.264 -20.039 -2.528 1.00 0.00 C ATOM 342 CG ASP A 22 -1.197 -19.739 -2.257 1.00 0.00 C ATOM 343 OD1 ASP A 22 -1.682 -18.691 -2.726 1.00 0.00 O ATOM 344 OD2 ASP A 22 -1.854 -20.556 -1.578 1.00 0.00 O ATOM 0 H ASP A 22 0.512 -18.327 -0.034 1.00 0.00 H new ATOM 0 HA ASP A 22 2.232 -19.261 -2.165 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.431 -20.066 -3.605 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.505 -21.030 -2.143 1.00 0.00 H new ATOM 349 N ALA A 23 1.007 -17.464 -3.752 1.00 0.00 N ATOM 350 CA ALA A 23 0.757 -16.183 -4.400 1.00 0.00 C ATOM 351 C ALA A 23 -0.673 -15.711 -4.175 1.00 0.00 C ATOM 352 O ALA A 23 -0.910 -14.537 -3.887 1.00 0.00 O ATOM 353 CB ALA A 23 1.058 -16.274 -5.888 1.00 0.00 C ATOM 0 H ALA A 23 1.261 -18.216 -4.393 1.00 0.00 H new ATOM 0 HA ALA A 23 1.423 -15.448 -3.949 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.866 -15.309 -6.358 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.104 -16.546 -6.032 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.420 -17.032 -6.343 1.00 0.00 H new ATOM 359 N ALA A 24 -1.622 -16.628 -4.296 1.00 0.00 N ATOM 360 CA ALA A 24 -3.024 -16.292 -4.091 1.00 0.00 C ATOM 361 C ALA A 24 -3.243 -15.831 -2.661 1.00 0.00 C ATOM 362 O ALA A 24 -3.749 -14.733 -2.428 1.00 0.00 O ATOM 363 CB ALA A 24 -3.918 -17.479 -4.421 1.00 0.00 C ATOM 0 H ALA A 24 -1.449 -17.605 -4.534 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.290 -15.477 -4.764 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.961 -17.205 -4.261 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.774 -17.764 -5.463 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.660 -18.319 -3.776 1.00 0.00 H new ATOM 369 N THR A 25 -2.829 -16.654 -1.699 1.00 0.00 N ATOM 370 CA THR A 25 -2.954 -16.297 -0.299 1.00 0.00 C ATOM 371 C THR A 25 -2.372 -14.908 -0.092 1.00 0.00 C ATOM 372 O THR A 25 -2.979 -14.053 0.553 1.00 0.00 O ATOM 373 CB THR A 25 -2.226 -17.322 0.571 1.00 0.00 C ATOM 374 OG1 THR A 25 -0.874 -17.448 0.175 1.00 0.00 O ATOM 375 CG2 THR A 25 -2.848 -18.700 0.526 1.00 0.00 C ATOM 0 H THR A 25 -2.407 -17.567 -1.869 1.00 0.00 H new ATOM 0 HA THR A 25 -4.005 -16.294 -0.010 1.00 0.00 H new ATOM 0 HB THR A 25 -2.305 -16.940 1.589 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.781 -17.178 -0.763 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.281 -19.376 1.166 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.878 -18.646 0.878 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.834 -19.072 -0.498 1.00 0.00 H new ATOM 383 N ALA A 26 -1.198 -14.684 -0.679 1.00 0.00 N ATOM 384 CA ALA A 26 -0.544 -13.390 -0.596 1.00 0.00 C ATOM 385 C ALA A 26 -1.448 -12.323 -1.197 1.00 0.00 C ATOM 386 O ALA A 26 -1.734 -11.309 -0.561 1.00 0.00 O ATOM 387 CB ALA A 26 0.796 -13.422 -1.314 1.00 0.00 C ATOM 0 H ALA A 26 -0.685 -15.384 -1.215 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.359 -13.151 0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.271 -12.444 -1.241 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.438 -14.173 -0.853 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.641 -13.673 -2.363 1.00 0.00 H new ATOM 393 N GLU A 27 -1.905 -12.563 -2.428 1.00 0.00 N ATOM 394 CA GLU A 27 -2.786 -11.625 -3.105 1.00 0.00 C ATOM 395 C GLU A 27 -4.011 -11.329 -2.251 1.00 0.00 C ATOM 396 O GLU A 27 -4.383 -10.172 -2.066 1.00 0.00 O ATOM 397 CB GLU A 27 -3.232 -12.173 -4.459 1.00 0.00 C ATOM 398 CG GLU A 27 -4.053 -11.186 -5.267 1.00 0.00 C ATOM 399 CD GLU A 27 -4.496 -11.749 -6.602 1.00 0.00 C ATOM 400 OE1 GLU A 27 -5.198 -12.782 -6.607 1.00 0.00 O ATOM 401 OE2 GLU A 27 -4.141 -11.157 -7.643 1.00 0.00 O ATOM 0 H GLU A 27 -1.678 -13.397 -2.970 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.227 -10.703 -3.264 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.352 -12.459 -5.035 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.818 -13.078 -4.301 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.931 -10.893 -4.691 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.466 -10.283 -5.435 1.00 0.00 H new ATOM 408 N LYS A 28 -4.624 -12.384 -1.712 1.00 0.00 N ATOM 409 CA LYS A 28 -5.797 -12.229 -0.864 1.00 0.00 C ATOM 410 C LYS A 28 -5.449 -11.400 0.361 1.00 0.00 C ATOM 411 O LYS A 28 -6.175 -10.475 0.726 1.00 0.00 O ATOM 412 CB LYS A 28 -6.337 -13.597 -0.439 1.00 0.00 C ATOM 413 CG LYS A 28 -6.814 -14.452 -1.603 1.00 0.00 C ATOM 414 CD LYS A 28 -7.928 -13.777 -2.395 1.00 0.00 C ATOM 415 CE LYS A 28 -9.226 -13.685 -1.602 1.00 0.00 C ATOM 416 NZ LYS A 28 -9.146 -12.694 -0.492 1.00 0.00 N ATOM 0 H LYS A 28 -4.326 -13.350 -1.849 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.571 -11.713 -1.433 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.557 -14.135 0.100 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.163 -13.452 0.257 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.974 -14.661 -2.266 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.169 -15.411 -1.226 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.610 -12.776 -2.685 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.105 -14.334 -3.315 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.040 -13.410 -2.273 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.469 -14.666 -1.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.035 -12.157 -0.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.990 -13.192 0.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.356 -12.040 -0.667 1.00 0.00 H new ATOM 430 N VAL A 29 -4.319 -11.722 0.983 1.00 0.00 N ATOM 431 CA VAL A 29 -3.866 -10.990 2.154 1.00 0.00 C ATOM 432 C VAL A 29 -3.704 -9.519 1.814 1.00 0.00 C ATOM 433 O VAL A 29 -4.067 -8.643 2.599 1.00 0.00 O ATOM 434 CB VAL A 29 -2.534 -11.548 2.692 1.00 0.00 C ATOM 435 CG1 VAL A 29 -2.051 -10.739 3.883 1.00 0.00 C ATOM 436 CG2 VAL A 29 -2.681 -13.018 3.063 1.00 0.00 C ATOM 0 H VAL A 29 -3.704 -12.483 0.695 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.620 -11.108 2.932 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.787 -11.466 1.903 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.109 -11.152 4.245 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.901 -9.702 3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.796 -10.782 4.678 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.731 -13.395 3.441 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.445 -13.124 3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.973 -13.588 2.181 1.00 0.00 H new ATOM 446 N VAL A 30 -3.193 -9.254 0.619 1.00 0.00 N ATOM 447 CA VAL A 30 -3.029 -7.890 0.159 1.00 0.00 C ATOM 448 C VAL A 30 -4.412 -7.275 -0.027 1.00 0.00 C ATOM 449 O VAL A 30 -4.690 -6.188 0.475 1.00 0.00 O ATOM 450 CB VAL A 30 -2.238 -7.829 -1.159 1.00 0.00 C ATOM 451 CG1 VAL A 30 -2.050 -6.390 -1.616 1.00 0.00 C ATOM 452 CG2 VAL A 30 -0.892 -8.521 -1.003 1.00 0.00 C ATOM 0 H VAL A 30 -2.887 -9.966 -0.044 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.461 -7.330 0.902 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.811 -8.353 -1.924 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.488 -6.375 -2.550 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.025 -5.927 -1.772 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.503 -5.835 -0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.345 -8.469 -1.944 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.317 -8.026 -0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.049 -9.565 -0.732 1.00 0.00 H new ATOM 462 N LYS A 31 -5.294 -7.997 -0.733 1.00 0.00 N ATOM 463 CA LYS A 31 -6.661 -7.525 -0.949 1.00 0.00 C ATOM 464 C LYS A 31 -7.243 -7.025 0.366 1.00 0.00 C ATOM 465 O LYS A 31 -7.738 -5.905 0.458 1.00 0.00 O ATOM 466 CB LYS A 31 -7.563 -8.643 -1.489 1.00 0.00 C ATOM 467 CG LYS A 31 -7.189 -9.177 -2.865 1.00 0.00 C ATOM 468 CD LYS A 31 -7.153 -8.082 -3.914 1.00 0.00 C ATOM 469 CE LYS A 31 -7.529 -8.608 -5.290 1.00 0.00 C ATOM 470 NZ LYS A 31 -6.575 -9.644 -5.770 1.00 0.00 N ATOM 0 H LYS A 31 -5.085 -8.900 -1.158 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.622 -6.720 -1.683 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.550 -9.471 -0.781 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.588 -8.273 -1.528 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.213 -9.660 -2.813 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.907 -9.941 -3.164 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.838 -7.283 -3.630 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.154 -7.647 -3.951 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.534 -9.029 -5.255 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.554 -7.781 -6.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.828 -9.927 -6.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.610 -9.257 -5.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.619 -10.473 -5.144 1.00 0.00 H new ATOM 484 N GLN A 32 -7.161 -7.877 1.386 1.00 0.00 N ATOM 485 CA GLN A 32 -7.666 -7.534 2.708 1.00 0.00 C ATOM 486 C GLN A 32 -6.929 -6.316 3.248 1.00 0.00 C ATOM 487 O GLN A 32 -7.521 -5.448 3.890 1.00 0.00 O ATOM 488 CB GLN A 32 -7.504 -8.718 3.666 1.00 0.00 C ATOM 489 CG GLN A 32 -8.118 -8.481 5.040 1.00 0.00 C ATOM 490 CD GLN A 32 -9.637 -8.340 5.019 1.00 0.00 C ATOM 491 OE1 GLN A 32 -10.265 -8.584 3.868 1.00 0.00 O flip ATOM 492 NE2 GLN A 32 -10.245 -8.028 6.042 1.00 0.00 N flip ATOM 0 H GLN A 32 -6.750 -8.808 1.320 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.727 -7.298 2.626 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.963 -9.601 3.220 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.443 -8.936 3.785 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.848 -9.309 5.696 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.684 -7.578 5.471 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.732 -7.848 6.905 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.262 -7.949 6.027 1.00 0.00 H new ATOM 501 N PHE A 33 -5.631 -6.256 2.968 1.00 0.00 N ATOM 502 CA PHE A 33 -4.796 -5.146 3.404 1.00 0.00 C ATOM 503 C PHE A 33 -5.412 -3.816 2.965 1.00 0.00 C ATOM 504 O PHE A 33 -5.813 -2.995 3.790 1.00 0.00 O ATOM 505 CB PHE A 33 -3.387 -5.302 2.812 1.00 0.00 C ATOM 506 CG PHE A 33 -2.369 -4.381 3.411 1.00 0.00 C ATOM 507 CD1 PHE A 33 -1.987 -4.527 4.734 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.794 -3.367 2.654 1.00 0.00 C ATOM 509 CE1 PHE A 33 -1.053 -3.679 5.293 1.00 0.00 C ATOM 510 CE2 PHE A 33 -0.858 -2.519 3.214 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.488 -2.676 4.535 1.00 0.00 C ATOM 0 H PHE A 33 -5.133 -6.970 2.437 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.730 -5.152 4.492 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.057 -6.331 2.952 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.434 -5.125 1.737 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.424 -5.312 5.334 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.081 -3.241 1.620 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.764 -3.801 6.326 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.416 -1.734 2.619 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.243 -2.014 4.974 1.00 0.00 H new ATOM 521 N PHE A 34 -5.489 -3.632 1.655 1.00 0.00 N ATOM 522 CA PHE A 34 -6.061 -2.421 1.072 1.00 0.00 C ATOM 523 C PHE A 34 -7.559 -2.354 1.324 1.00 0.00 C ATOM 524 O PHE A 34 -8.100 -1.293 1.633 1.00 0.00 O ATOM 525 CB PHE A 34 -5.740 -2.364 -0.414 1.00 0.00 C ATOM 526 CG PHE A 34 -4.264 -2.383 -0.653 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.439 -1.496 0.017 1.00 0.00 C ATOM 528 CD2 PHE A 34 -3.696 -3.300 -1.516 1.00 0.00 C ATOM 529 CE1 PHE A 34 -2.074 -1.523 -0.172 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.330 -3.328 -1.714 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.520 -2.438 -1.039 1.00 0.00 C ATOM 0 H PHE A 34 -5.160 -4.311 0.968 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.615 -1.550 1.552 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.203 -3.210 -0.921 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.169 -1.460 -0.846 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.870 -0.775 0.696 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.327 -4.002 -2.041 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.440 -0.828 0.359 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.896 -4.045 -2.396 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.451 -2.459 -1.191 1.00 0.00 H new ATOM 541 N ASN A 35 -8.221 -3.498 1.223 1.00 0.00 N ATOM 542 CA ASN A 35 -9.655 -3.577 1.474 1.00 0.00 C ATOM 543 C ASN A 35 -9.971 -2.952 2.830 1.00 0.00 C ATOM 544 O ASN A 35 -10.993 -2.290 3.011 1.00 0.00 O ATOM 545 CB ASN A 35 -10.090 -5.043 1.477 1.00 0.00 C ATOM 546 CG ASN A 35 -11.564 -5.224 1.760 1.00 0.00 C ATOM 547 OD1 ASN A 35 -12.108 -4.655 2.706 1.00 0.00 O ATOM 548 ND2 ASN A 35 -12.211 -6.047 0.949 1.00 0.00 N ATOM 0 H ASN A 35 -7.788 -4.386 0.969 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.191 -3.038 0.692 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.855 -5.488 0.510 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.513 -5.585 2.226 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.203 -6.232 1.096 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.717 -6.496 0.178 1.00 0.00 H new ATOM 555 N ASP A 36 -9.068 -3.190 3.778 1.00 0.00 N ATOM 556 CA ASP A 36 -9.210 -2.681 5.140 1.00 0.00 C ATOM 557 C ASP A 36 -8.485 -1.346 5.348 1.00 0.00 C ATOM 558 O ASP A 36 -8.879 -0.557 6.207 1.00 0.00 O ATOM 559 CB ASP A 36 -8.696 -3.714 6.144 1.00 0.00 C ATOM 560 CG ASP A 36 -9.456 -5.026 6.070 1.00 0.00 C ATOM 561 OD1 ASP A 36 -10.387 -5.130 5.244 1.00 0.00 O ATOM 562 OD2 ASP A 36 -9.120 -5.950 6.840 1.00 0.00 O ATOM 0 H ASP A 36 -8.221 -3.738 3.625 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.272 -2.501 5.304 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.638 -3.900 5.959 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.777 -3.307 7.152 1.00 0.00 H new ATOM 567 N ASN A 37 -7.438 -1.083 4.564 1.00 0.00 N ATOM 568 CA ASN A 37 -6.703 0.177 4.694 1.00 0.00 C ATOM 569 C ASN A 37 -7.483 1.304 4.032 1.00 0.00 C ATOM 570 O ASN A 37 -7.546 2.420 4.548 1.00 0.00 O ATOM 571 CB ASN A 37 -5.312 0.083 4.057 1.00 0.00 C ATOM 572 CG ASN A 37 -4.392 -0.883 4.775 1.00 0.00 C ATOM 573 OD1 ASN A 37 -4.333 -0.905 6.004 1.00 0.00 O ATOM 574 ND2 ASN A 37 -3.641 -1.668 4.008 1.00 0.00 N ATOM 0 H ASN A 37 -7.084 -1.713 3.844 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.582 0.382 5.758 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.416 -0.228 3.018 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.855 1.073 4.049 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.984 -2.321 4.435 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.722 -1.617 2.992 1.00 0.00 H new ATOM 581 N GLY A 38 -8.062 0.974 2.878 1.00 0.00 N ATOM 582 CA GLY A 38 -8.851 1.902 2.081 1.00 0.00 C ATOM 583 C GLY A 38 -9.150 3.246 2.727 1.00 0.00 C ATOM 584 O GLY A 38 -8.251 4.053 2.957 1.00 0.00 O ATOM 0 H GLY A 38 -7.993 0.042 2.469 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.327 2.081 1.142 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.797 1.422 1.831 1.00 0.00 H new ATOM 588 N VAL A 39 -10.437 3.507 2.933 1.00 0.00 N ATOM 589 CA VAL A 39 -10.890 4.791 3.464 1.00 0.00 C ATOM 590 C VAL A 39 -10.802 4.936 4.984 1.00 0.00 C ATOM 591 O VAL A 39 -10.219 5.903 5.475 1.00 0.00 O ATOM 592 CB VAL A 39 -12.337 5.073 3.010 1.00 0.00 C ATOM 593 CG1 VAL A 39 -12.878 6.343 3.655 1.00 0.00 C ATOM 594 CG2 VAL A 39 -12.407 5.171 1.493 1.00 0.00 C ATOM 0 H VAL A 39 -11.188 2.845 2.740 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.195 5.524 3.054 1.00 0.00 H new ATOM 0 HB VAL A 39 -12.962 4.241 3.335 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.899 6.516 3.316 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.869 6.233 4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -12.253 7.190 3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -13.434 5.370 1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.763 5.981 1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.073 4.232 1.052 1.00 0.00 H new ATOM 604 N ASP A 40 -11.417 4.032 5.734 1.00 0.00 N ATOM 605 CA ASP A 40 -11.428 4.146 7.194 1.00 0.00 C ATOM 606 C ASP A 40 -10.243 3.459 7.869 1.00 0.00 C ATOM 607 O ASP A 40 -10.338 3.063 9.032 1.00 0.00 O ATOM 608 CB ASP A 40 -12.731 3.569 7.749 1.00 0.00 C ATOM 609 CG ASP A 40 -13.955 4.303 7.236 1.00 0.00 C ATOM 610 OD1 ASP A 40 -14.158 4.331 6.004 1.00 0.00 O ATOM 611 OD2 ASP A 40 -14.710 4.851 8.066 1.00 0.00 O ATOM 0 H ASP A 40 -11.911 3.219 5.366 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.348 5.209 7.420 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.803 2.516 7.478 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.712 3.618 8.838 1.00 0.00 H new ATOM 616 N GLY A 41 -9.131 3.325 7.162 1.00 0.00 N ATOM 617 CA GLY A 41 -7.967 2.692 7.754 1.00 0.00 C ATOM 618 C GLY A 41 -7.396 3.494 8.913 1.00 0.00 C ATOM 619 O GLY A 41 -7.406 4.725 8.888 1.00 0.00 O ATOM 0 H GLY A 41 -9.012 3.639 6.199 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.237 1.696 8.104 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.199 2.564 6.991 1.00 0.00 H new ATOM 623 N GLU A 42 -6.888 2.795 9.927 1.00 0.00 N ATOM 624 CA GLU A 42 -6.299 3.452 11.096 1.00 0.00 C ATOM 625 C GLU A 42 -4.884 3.921 10.776 1.00 0.00 C ATOM 626 O GLU A 42 -3.930 3.149 10.870 1.00 0.00 O ATOM 627 CB GLU A 42 -6.272 2.495 12.291 1.00 0.00 C ATOM 628 CG GLU A 42 -7.648 2.014 12.722 1.00 0.00 C ATOM 629 CD GLU A 42 -7.594 1.082 13.918 1.00 0.00 C ATOM 630 OE1 GLU A 42 -6.479 0.811 14.412 1.00 0.00 O ATOM 631 OE2 GLU A 42 -8.667 0.623 14.361 1.00 0.00 O ATOM 0 H GLU A 42 -6.872 1.776 9.964 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.912 4.316 11.353 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.658 1.631 12.039 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.791 2.993 13.133 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.270 2.875 12.966 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.127 1.501 11.888 1.00 0.00 H new ATOM 638 N TRP A 43 -4.754 5.184 10.372 1.00 0.00 N ATOM 639 CA TRP A 43 -3.452 5.734 10.010 1.00 0.00 C ATOM 640 C TRP A 43 -2.927 6.716 11.055 1.00 0.00 C ATOM 641 O TRP A 43 -3.632 7.634 11.470 1.00 0.00 O ATOM 642 CB TRP A 43 -3.533 6.486 8.683 1.00 0.00 C ATOM 643 CG TRP A 43 -4.142 5.729 7.539 1.00 0.00 C ATOM 644 CD1 TRP A 43 -4.856 4.563 7.576 1.00 0.00 C ATOM 645 CD2 TRP A 43 -4.088 6.121 6.170 1.00 0.00 C ATOM 646 NE1 TRP A 43 -5.256 4.218 6.306 1.00 0.00 N ATOM 647 CE2 TRP A 43 -4.793 5.159 5.426 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.509 7.199 5.501 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -4.935 5.247 4.046 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.648 7.285 4.134 1.00 0.00 C ATOM 651 CH2 TRP A 43 -4.357 6.314 3.416 1.00 0.00 C ATOM 0 H TRP A 43 -5.530 5.841 10.288 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.776 4.882 9.939 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.110 7.398 8.838 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.526 6.790 8.398 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.073 3.997 8.470 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.807 3.396 6.060 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.961 7.953 6.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.482 4.499 3.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -3.203 8.115 3.606 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.449 6.410 2.344 1.00 0.00 H new ATOM 662 N THR A 44 -1.664 6.547 11.432 1.00 0.00 N ATOM 663 CA THR A 44 -1.017 7.448 12.377 1.00 0.00 C ATOM 664 C THR A 44 0.071 8.225 11.639 1.00 0.00 C ATOM 665 O THR A 44 0.737 7.678 10.759 1.00 0.00 O ATOM 666 CB THR A 44 -0.425 6.673 13.556 1.00 0.00 C ATOM 667 OG1 THR A 44 0.498 5.701 13.108 1.00 0.00 O ATOM 668 CG2 THR A 44 -1.469 5.963 14.391 1.00 0.00 C ATOM 0 H THR A 44 -1.067 5.791 11.096 1.00 0.00 H new ATOM 0 HA THR A 44 -1.754 8.141 12.783 1.00 0.00 H new ATOM 0 HB THR A 44 0.064 7.425 14.175 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.156 6.123 12.517 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.982 5.433 15.210 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.169 6.694 14.797 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.010 5.250 13.768 1.00 0.00 H new ATOM 676 N TYR A 45 0.235 9.504 11.964 1.00 0.00 N ATOM 677 CA TYR A 45 1.227 10.330 11.280 1.00 0.00 C ATOM 678 C TYR A 45 2.383 10.730 12.193 1.00 0.00 C ATOM 679 O TYR A 45 2.200 10.971 13.387 1.00 0.00 O ATOM 680 CB TYR A 45 0.557 11.586 10.715 1.00 0.00 C ATOM 681 CG TYR A 45 1.500 12.498 9.960 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.378 11.990 9.010 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.510 13.867 10.198 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.240 12.820 8.320 1.00 0.00 C ATOM 685 CE2 TYR A 45 2.369 14.704 9.509 1.00 0.00 C ATOM 686 CZ TYR A 45 3.230 14.175 8.572 1.00 0.00 C ATOM 687 OH TYR A 45 4.086 15.006 7.885 1.00 0.00 O ATOM 0 H TYR A 45 -0.298 9.987 12.687 1.00 0.00 H new ATOM 0 HA TYR A 45 1.644 9.730 10.471 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.253 11.286 10.050 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.105 12.145 11.535 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.386 10.929 8.808 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.837 14.284 10.932 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.918 12.409 7.587 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.365 15.766 9.704 1.00 0.00 H new ATOM 0 HH TYR A 45 3.951 15.931 8.180 1.00 0.00 H new ATOM 697 N ASP A 46 3.574 10.818 11.603 1.00 0.00 N ATOM 698 CA ASP A 46 4.776 11.211 12.329 1.00 0.00 C ATOM 699 C ASP A 46 5.416 12.426 11.660 1.00 0.00 C ATOM 700 O ASP A 46 6.353 12.290 10.871 1.00 0.00 O ATOM 701 CB ASP A 46 5.774 10.051 12.379 1.00 0.00 C ATOM 702 CG ASP A 46 7.038 10.404 13.140 1.00 0.00 C ATOM 703 OD1 ASP A 46 7.732 11.359 12.729 1.00 0.00 O ATOM 704 OD2 ASP A 46 7.333 9.727 14.146 1.00 0.00 O ATOM 0 H ASP A 46 3.730 10.620 10.615 1.00 0.00 H new ATOM 0 HA ASP A 46 4.497 11.473 13.350 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.300 9.189 12.848 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.036 9.757 11.363 1.00 0.00 H new ATOM 709 N ASP A 47 4.895 13.611 11.967 1.00 0.00 N ATOM 710 CA ASP A 47 5.400 14.854 11.385 1.00 0.00 C ATOM 711 C ASP A 47 6.923 14.931 11.437 1.00 0.00 C ATOM 712 O ASP A 47 7.558 15.453 10.521 1.00 0.00 O ATOM 713 CB ASP A 47 4.796 16.058 12.112 1.00 0.00 C ATOM 714 CG ASP A 47 3.285 16.089 12.021 1.00 0.00 C ATOM 715 OD1 ASP A 47 2.641 15.126 12.486 1.00 0.00 O ATOM 716 OD2 ASP A 47 2.744 17.079 11.485 1.00 0.00 O ATOM 0 H ASP A 47 4.120 13.738 12.618 1.00 0.00 H new ATOM 0 HA ASP A 47 5.102 14.869 10.337 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.094 16.033 13.160 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.202 16.976 11.687 1.00 0.00 H new ATOM 721 N ALA A 48 7.504 14.424 12.517 1.00 0.00 N ATOM 722 CA ALA A 48 8.953 14.453 12.693 1.00 0.00 C ATOM 723 C ALA A 48 9.691 13.919 11.467 1.00 0.00 C ATOM 724 O ALA A 48 10.783 14.386 11.141 1.00 0.00 O ATOM 725 CB ALA A 48 9.345 13.660 13.930 1.00 0.00 C ATOM 0 H ALA A 48 6.995 13.987 13.285 1.00 0.00 H new ATOM 0 HA ALA A 48 9.247 15.495 12.821 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.428 13.688 14.052 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.869 14.097 14.808 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.019 12.626 13.818 1.00 0.00 H new ATOM 731 N THR A 49 9.099 12.938 10.794 1.00 0.00 N ATOM 732 CA THR A 49 9.722 12.350 9.609 1.00 0.00 C ATOM 733 C THR A 49 8.768 12.318 8.415 1.00 0.00 C ATOM 734 O THR A 49 9.030 11.630 7.428 1.00 0.00 O ATOM 735 CB THR A 49 10.205 10.933 9.917 1.00 0.00 C ATOM 736 OG1 THR A 49 9.123 10.111 10.321 1.00 0.00 O ATOM 737 CG2 THR A 49 11.251 10.883 11.009 1.00 0.00 C ATOM 0 H THR A 49 8.196 12.535 11.044 1.00 0.00 H new ATOM 0 HA THR A 49 10.570 12.981 9.342 1.00 0.00 H new ATOM 0 HB THR A 49 10.651 10.572 8.991 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.728 10.471 11.143 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.551 9.849 11.179 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.120 11.468 10.708 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.837 11.296 11.929 1.00 0.00 H new ATOM 745 N LYS A 50 7.656 13.043 8.505 1.00 0.00 N ATOM 746 CA LYS A 50 6.680 13.057 7.421 1.00 0.00 C ATOM 747 C LYS A 50 6.284 11.636 7.037 1.00 0.00 C ATOM 748 O LYS A 50 5.946 11.365 5.884 1.00 0.00 O ATOM 749 CB LYS A 50 7.248 13.773 6.195 1.00 0.00 C ATOM 750 CG LYS A 50 7.180 15.287 6.272 1.00 0.00 C ATOM 751 CD LYS A 50 8.072 15.841 7.364 1.00 0.00 C ATOM 752 CE LYS A 50 8.181 17.356 7.272 1.00 0.00 C ATOM 753 NZ LYS A 50 9.043 17.917 8.348 1.00 0.00 N ATOM 0 H LYS A 50 7.411 13.622 9.308 1.00 0.00 H new ATOM 0 HA LYS A 50 5.798 13.592 7.772 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.288 13.473 6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.705 13.441 5.310 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.475 15.712 5.313 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.150 15.595 6.454 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.673 15.561 8.339 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.065 15.397 7.286 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.588 17.632 6.299 1.00 0.00 H new ATOM 0 HE3 LYS A 50 7.186 17.796 7.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.091 18.951 8.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.641 17.675 9.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.000 17.517 8.270 1.00 0.00 H new ATOM 767 N THR A 51 6.353 10.729 8.002 1.00 0.00 N ATOM 768 CA THR A 51 6.025 9.332 7.754 1.00 0.00 C ATOM 769 C THR A 51 4.682 8.945 8.367 1.00 0.00 C ATOM 770 O THR A 51 4.394 9.263 9.521 1.00 0.00 O ATOM 771 CB THR A 51 7.128 8.426 8.302 1.00 0.00 C ATOM 772 OG1 THR A 51 8.378 8.744 7.714 1.00 0.00 O ATOM 773 CG2 THR A 51 6.870 6.953 8.061 1.00 0.00 C ATOM 0 H THR A 51 6.632 10.935 8.961 1.00 0.00 H new ATOM 0 HA THR A 51 5.948 9.201 6.675 1.00 0.00 H new ATOM 0 HB THR A 51 7.139 8.605 9.377 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.552 9.703 7.815 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.691 6.367 8.475 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.937 6.663 8.545 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.796 6.767 6.990 1.00 0.00 H new ATOM 781 N PHE A 52 3.880 8.236 7.582 1.00 0.00 N ATOM 782 CA PHE A 52 2.572 7.770 8.027 1.00 0.00 C ATOM 783 C PHE A 52 2.594 6.252 8.167 1.00 0.00 C ATOM 784 O PHE A 52 3.213 5.567 7.361 1.00 0.00 O ATOM 785 CB PHE A 52 1.486 8.168 7.019 1.00 0.00 C ATOM 786 CG PHE A 52 1.479 9.630 6.661 1.00 0.00 C ATOM 787 CD1 PHE A 52 2.557 10.205 6.007 1.00 0.00 C ATOM 788 CD2 PHE A 52 0.383 10.424 6.965 1.00 0.00 C ATOM 789 CE1 PHE A 52 2.545 11.544 5.668 1.00 0.00 C ATOM 790 CE2 PHE A 52 0.366 11.764 6.625 1.00 0.00 C ATOM 791 CZ PHE A 52 1.449 12.326 5.976 1.00 0.00 C ATOM 0 H PHE A 52 4.115 7.969 6.626 1.00 0.00 H new ATOM 0 HA PHE A 52 2.347 8.231 8.989 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.620 7.584 6.109 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.512 7.901 7.428 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.416 9.599 5.760 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.466 9.991 7.473 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.393 11.980 5.162 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.494 12.372 6.867 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.438 13.373 5.711 1.00 0.00 H new ATOM 801 N THR A 53 1.926 5.720 9.182 1.00 0.00 N ATOM 802 CA THR A 53 1.898 4.272 9.382 1.00 0.00 C ATOM 803 C THR A 53 0.475 3.725 9.319 1.00 0.00 C ATOM 804 O THR A 53 -0.392 4.121 10.097 1.00 0.00 O ATOM 805 CB THR A 53 2.555 3.888 10.707 1.00 0.00 C ATOM 806 OG1 THR A 53 2.205 4.802 11.729 1.00 0.00 O ATOM 807 CG2 THR A 53 4.065 3.826 10.633 1.00 0.00 C ATOM 0 H THR A 53 1.402 6.258 9.872 1.00 0.00 H new ATOM 0 HA THR A 53 2.468 3.823 8.569 1.00 0.00 H new ATOM 0 HB THR A 53 2.181 2.889 10.933 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.350 4.536 12.127 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.466 3.548 11.608 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.363 3.083 9.893 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.456 4.802 10.345 1.00 0.00 H new ATOM 815 N VAL A 54 0.256 2.801 8.388 1.00 0.00 N ATOM 816 CA VAL A 54 -1.048 2.178 8.214 1.00 0.00 C ATOM 817 C VAL A 54 -1.061 0.788 8.845 1.00 0.00 C ATOM 818 O VAL A 54 -0.452 -0.147 8.324 1.00 0.00 O ATOM 819 CB VAL A 54 -1.435 2.076 6.719 1.00 0.00 C ATOM 820 CG1 VAL A 54 -2.793 1.410 6.558 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.436 3.455 6.077 1.00 0.00 C ATOM 0 H VAL A 54 0.970 2.467 7.741 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.782 2.810 8.713 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.692 1.459 6.213 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.045 1.349 5.499 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.758 0.406 6.981 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.550 1.997 7.078 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.710 3.367 5.026 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.157 4.094 6.588 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.442 3.894 6.157 1.00 0.00 H new ATOM 831 N THR A 55 -1.752 0.665 9.975 1.00 0.00 N ATOM 832 CA THR A 55 -1.834 -0.607 10.683 1.00 0.00 C ATOM 833 C THR A 55 -3.185 -1.275 10.459 1.00 0.00 C ATOM 834 O THR A 55 -4.227 -0.713 10.799 1.00 0.00 O ATOM 835 CB THR A 55 -1.598 -0.402 12.180 1.00 0.00 C ATOM 836 OG1 THR A 55 -0.380 0.284 12.407 1.00 0.00 O ATOM 837 CG2 THR A 55 -1.540 -1.701 12.953 1.00 0.00 C ATOM 0 H THR A 55 -2.262 1.429 10.418 1.00 0.00 H new ATOM 0 HA THR A 55 -1.057 -1.260 10.285 1.00 0.00 H new ATOM 0 HB THR A 55 -2.450 0.180 12.532 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.248 0.407 13.370 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.370 -1.489 14.009 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.483 -2.236 12.837 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.725 -2.316 12.571 1.00 0.00 H new ATOM 845 N GLU A 56 -3.168 -2.472 9.878 1.00 0.00 N ATOM 846 CA GLU A 56 -4.408 -3.196 9.609 1.00 0.00 C ATOM 847 C GLU A 56 -4.991 -3.775 10.894 1.00 0.00 C ATOM 848 O GLU A 56 -4.249 -4.470 11.620 1.00 0.00 O ATOM 849 CB GLU A 56 -4.174 -4.314 8.589 1.00 0.00 C ATOM 850 CG GLU A 56 -3.319 -5.453 9.116 1.00 0.00 C ATOM 851 CD GLU A 56 -3.060 -6.519 8.069 1.00 0.00 C ATOM 852 OE1 GLU A 56 -4.041 -7.111 7.570 1.00 0.00 O ATOM 853 OE2 GLU A 56 -1.878 -6.763 7.749 1.00 0.00 O ATOM 854 OXT GLU A 56 -6.185 -3.529 11.166 1.00 0.00 O ATOM 0 H GLU A 56 -2.319 -2.957 9.587 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.123 -2.487 9.193 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.138 -4.712 8.272 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.697 -3.892 7.704 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.367 -5.055 9.468 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.813 -5.906 9.976 1.00 0.00 H new TER 861 GLU A 56 ATOM 862 N MET B 1 6.246 18.680 -1.651 1.00 0.00 N ATOM 863 CA MET B 1 7.023 17.856 -0.689 1.00 0.00 C ATOM 864 C MET B 1 6.701 16.373 -0.842 1.00 0.00 C ATOM 865 O MET B 1 5.588 16.001 -1.213 1.00 0.00 O ATOM 866 CB MET B 1 6.691 18.321 0.733 1.00 0.00 C ATOM 867 CG MET B 1 7.401 17.528 1.819 1.00 0.00 C ATOM 868 SD MET B 1 9.196 17.651 1.712 1.00 0.00 S ATOM 869 CE MET B 1 9.685 16.656 3.119 1.00 0.00 C ATOM 0 H1 MET B 1 6.798 19.522 -1.912 1.00 0.00 H new ATOM 0 H2 MET B 1 6.044 18.120 -2.504 1.00 0.00 H new ATOM 0 H3 MET B 1 5.351 18.975 -1.211 1.00 0.00 H new ATOM 0 HA MET B 1 8.087 17.984 -0.891 1.00 0.00 H new ATOM 0 HB2 MET B 1 6.956 19.374 0.832 1.00 0.00 H new ATOM 0 HB3 MET B 1 5.614 18.248 0.887 1.00 0.00 H new ATOM 0 HG2 MET B 1 7.074 17.885 2.796 1.00 0.00 H new ATOM 0 HG3 MET B 1 7.108 16.480 1.748 1.00 0.00 H new ATOM 0 HE1 MET B 1 10.731 16.367 3.015 1.00 0.00 H new ATOM 0 HE2 MET B 1 9.558 17.233 4.035 1.00 0.00 H new ATOM 0 HE3 MET B 1 9.064 15.761 3.165 1.00 0.00 H new ATOM 881 N GLN B 2 7.682 15.531 -0.539 1.00 0.00 N ATOM 882 CA GLN B 2 7.510 14.088 -0.622 1.00 0.00 C ATOM 883 C GLN B 2 7.345 13.501 0.774 1.00 0.00 C ATOM 884 O GLN B 2 7.992 13.947 1.722 1.00 0.00 O ATOM 885 CB GLN B 2 8.709 13.443 -1.325 1.00 0.00 C ATOM 886 CG GLN B 2 8.600 11.932 -1.449 1.00 0.00 C ATOM 887 CD GLN B 2 9.795 11.317 -2.149 1.00 0.00 C ATOM 888 OE1 GLN B 2 10.093 11.643 -3.298 1.00 0.00 O ATOM 889 NE2 GLN B 2 10.489 10.417 -1.459 1.00 0.00 N ATOM 0 H GLN B 2 8.609 15.826 -0.232 1.00 0.00 H new ATOM 0 HA GLN B 2 6.613 13.878 -1.205 1.00 0.00 H new ATOM 0 HB2 GLN B 2 8.811 13.875 -2.321 1.00 0.00 H new ATOM 0 HB3 GLN B 2 9.618 13.690 -0.776 1.00 0.00 H new ATOM 0 HG2 GLN B 2 8.502 11.496 -0.455 1.00 0.00 H new ATOM 0 HG3 GLN B 2 7.693 11.681 -1.998 1.00 0.00 H new ATOM 0 HE21 GLN B 2 10.208 10.175 -0.509 1.00 0.00 H new ATOM 0 HE22 GLN B 2 11.303 9.968 -1.880 1.00 0.00 H new ATOM 898 N TYR B 3 6.477 12.506 0.898 1.00 0.00 N ATOM 899 CA TYR B 3 6.229 11.870 2.185 1.00 0.00 C ATOM 900 C TYR B 3 6.391 10.357 2.091 1.00 0.00 C ATOM 901 O TYR B 3 6.058 9.747 1.075 1.00 0.00 O ATOM 902 CB TYR B 3 4.829 12.229 2.689 1.00 0.00 C ATOM 903 CG TYR B 3 4.666 13.698 3.010 1.00 0.00 C ATOM 904 CD1 TYR B 3 4.532 14.643 2.000 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.657 14.142 4.327 1.00 0.00 C ATOM 906 CE1 TYR B 3 4.391 15.986 2.293 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.520 15.482 4.629 1.00 0.00 C ATOM 908 CZ TYR B 3 4.387 16.401 3.610 1.00 0.00 C ATOM 909 OH TYR B 3 4.251 17.737 3.906 1.00 0.00 O ATOM 0 H TYR B 3 5.934 12.122 0.125 1.00 0.00 H new ATOM 0 HA TYR B 3 6.966 12.241 2.897 1.00 0.00 H new ATOM 0 HB2 TYR B 3 4.095 11.946 1.934 1.00 0.00 H new ATOM 0 HB3 TYR B 3 4.611 11.643 3.582 1.00 0.00 H new ATOM 0 HD1 TYR B 3 4.538 14.322 0.969 1.00 0.00 H new ATOM 0 HD2 TYR B 3 4.759 13.426 5.129 1.00 0.00 H new ATOM 0 HE1 TYR B 3 4.284 16.707 1.496 1.00 0.00 H new ATOM 0 HE2 TYR B 3 4.517 15.809 5.658 1.00 0.00 H new ATOM 0 HH TYR B 3 4.267 17.860 4.878 1.00 0.00 H new ATOM 919 N LYS B 4 6.902 9.758 3.163 1.00 0.00 N ATOM 920 CA LYS B 4 7.108 8.315 3.211 1.00 0.00 C ATOM 921 C LYS B 4 5.968 7.637 3.962 1.00 0.00 C ATOM 922 O LYS B 4 5.861 7.754 5.181 1.00 0.00 O ATOM 923 CB LYS B 4 8.444 7.994 3.890 1.00 0.00 C ATOM 924 CG LYS B 4 8.737 6.505 3.997 1.00 0.00 C ATOM 925 CD LYS B 4 8.925 5.870 2.630 1.00 0.00 C ATOM 926 CE LYS B 4 10.154 6.421 1.922 1.00 0.00 C ATOM 927 NZ LYS B 4 11.399 6.193 2.710 1.00 0.00 N ATOM 0 H LYS B 4 7.181 10.251 4.011 1.00 0.00 H new ATOM 0 HA LYS B 4 7.128 7.936 2.189 1.00 0.00 H new ATOM 0 HB2 LYS B 4 9.249 8.474 3.333 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.446 8.428 4.890 1.00 0.00 H new ATOM 0 HG2 LYS B 4 9.635 6.353 4.596 1.00 0.00 H new ATOM 0 HG3 LYS B 4 7.918 6.010 4.519 1.00 0.00 H new ATOM 0 HD2 LYS B 4 9.021 4.790 2.740 1.00 0.00 H new ATOM 0 HD3 LYS B 4 8.041 6.051 2.019 1.00 0.00 H new ATOM 0 HE2 LYS B 4 10.252 5.949 0.944 1.00 0.00 H new ATOM 0 HE3 LYS B 4 10.025 7.489 1.749 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 12.228 6.328 2.096 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 11.439 6.869 3.500 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 11.400 5.223 3.084 1.00 0.00 H new ATOM 941 N VAL B 5 5.121 6.925 3.233 1.00 0.00 N ATOM 942 CA VAL B 5 3.997 6.231 3.844 1.00 0.00 C ATOM 943 C VAL B 5 4.361 4.783 4.152 1.00 0.00 C ATOM 944 O VAL B 5 4.825 4.048 3.285 1.00 0.00 O ATOM 945 CB VAL B 5 2.751 6.263 2.935 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.566 5.598 3.621 1.00 0.00 C ATOM 947 CG2 VAL B 5 2.412 7.692 2.539 1.00 0.00 C ATOM 0 H VAL B 5 5.190 6.813 2.222 1.00 0.00 H new ATOM 0 HA VAL B 5 3.763 6.751 4.773 1.00 0.00 H new ATOM 0 HB VAL B 5 2.976 5.702 2.028 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.698 5.632 2.962 1.00 0.00 H new ATOM 0 HG12 VAL B 5 1.811 4.560 3.845 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.339 6.125 4.547 1.00 0.00 H new ATOM 0 HG21 VAL B 5 1.530 7.693 1.898 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.210 8.280 3.435 1.00 0.00 H new ATOM 0 HG23 VAL B 5 3.253 8.129 2.000 1.00 0.00 H new ATOM 957 N ILE B 6 4.150 4.388 5.399 1.00 0.00 N ATOM 958 CA ILE B 6 4.455 3.036 5.842 1.00 0.00 C ATOM 959 C ILE B 6 3.180 2.212 5.993 1.00 0.00 C ATOM 960 O ILE B 6 2.303 2.547 6.790 1.00 0.00 O ATOM 961 CB ILE B 6 5.213 3.052 7.188 1.00 0.00 C ATOM 962 CG1 ILE B 6 6.545 3.791 7.039 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.442 1.634 7.695 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.339 3.869 8.325 1.00 0.00 C ATOM 0 H ILE B 6 3.766 4.990 6.127 1.00 0.00 H new ATOM 0 HA ILE B 6 5.089 2.580 5.081 1.00 0.00 H new ATOM 0 HB ILE B 6 4.602 3.580 7.920 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.146 3.291 6.280 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.353 4.801 6.678 1.00 0.00 H new ATOM 0 HG21 ILE B 6 5.977 1.669 8.644 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.481 1.139 7.838 1.00 0.00 H new ATOM 0 HG23 ILE B 6 6.031 1.078 6.966 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.271 4.406 8.145 1.00 0.00 H new ATOM 0 HD12 ILE B 6 6.757 4.396 9.081 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.563 2.862 8.676 1.00 0.00 H new ATOM 976 N LEU B 7 3.090 1.129 5.232 1.00 0.00 N ATOM 977 CA LEU B 7 1.929 0.252 5.290 1.00 0.00 C ATOM 978 C LEU B 7 2.247 -0.948 6.176 1.00 0.00 C ATOM 979 O LEU B 7 2.741 -1.972 5.703 1.00 0.00 O ATOM 980 CB LEU B 7 1.541 -0.196 3.879 1.00 0.00 C ATOM 981 CG LEU B 7 1.641 0.892 2.812 1.00 0.00 C ATOM 982 CD1 LEU B 7 1.078 0.392 1.493 1.00 0.00 C ATOM 983 CD2 LEU B 7 0.922 2.152 3.270 1.00 0.00 C ATOM 0 H LEU B 7 3.807 0.837 4.568 1.00 0.00 H new ATOM 0 HA LEU B 7 1.083 0.789 5.718 1.00 0.00 H new ATOM 0 HB2 LEU B 7 2.180 -1.030 3.589 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.518 -0.571 3.901 1.00 0.00 H new ATOM 0 HG LEU B 7 2.692 1.139 2.660 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.156 1.179 0.742 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.642 -0.481 1.164 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.031 0.119 1.624 1.00 0.00 H new ATOM 0 HD21 LEU B 7 1.003 2.918 2.498 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.129 1.926 3.449 1.00 0.00 H new ATOM 0 HD23 LEU B 7 1.377 2.516 4.191 1.00 0.00 H new ATOM 995 N ASN B 8 2.002 -0.789 7.474 1.00 0.00 N ATOM 996 CA ASN B 8 2.305 -1.833 8.449 1.00 0.00 C ATOM 997 C ASN B 8 1.111 -2.738 8.742 1.00 0.00 C ATOM 998 O ASN B 8 0.205 -2.376 9.489 1.00 0.00 O ATOM 999 CB ASN B 8 2.791 -1.185 9.746 1.00 0.00 C ATOM 1000 CG ASN B 8 3.284 -2.196 10.760 1.00 0.00 C ATOM 1001 OD1 ASN B 8 2.564 -3.122 11.136 1.00 0.00 O ATOM 1002 ND2 ASN B 8 4.518 -2.015 11.216 1.00 0.00 N ATOM 0 H ASN B 8 1.594 0.055 7.876 1.00 0.00 H new ATOM 0 HA ASN B 8 3.082 -2.464 8.018 1.00 0.00 H new ATOM 0 HB2 ASN B 8 3.595 -0.485 9.518 1.00 0.00 H new ATOM 0 HB3 ASN B 8 1.978 -0.605 10.184 1.00 0.00 H new ATOM 0 HD21 ASN B 8 4.906 -2.658 11.907 1.00 0.00 H new ATOM 0 HD22 ASN B 8 5.078 -1.233 10.876 1.00 0.00 H new ATOM 1009 N GLY B 9 1.130 -3.928 8.164 1.00 0.00 N ATOM 1010 CA GLY B 9 0.066 -4.886 8.387 1.00 0.00 C ATOM 1011 C GLY B 9 0.583 -6.161 9.018 1.00 0.00 C ATOM 1012 O GLY B 9 1.744 -6.524 8.832 1.00 0.00 O ATOM 0 H GLY B 9 1.869 -4.251 7.539 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.693 -4.443 9.032 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.418 -5.120 7.439 1.00 0.00 H new ATOM 1016 N LYS B 10 -0.271 -6.841 9.775 1.00 0.00 N ATOM 1017 CA LYS B 10 0.121 -8.075 10.440 1.00 0.00 C ATOM 1018 C LYS B 10 0.774 -9.058 9.465 1.00 0.00 C ATOM 1019 O LYS B 10 1.866 -9.566 9.719 1.00 0.00 O ATOM 1020 CB LYS B 10 -1.088 -8.736 11.107 1.00 0.00 C ATOM 1021 CG LYS B 10 -1.534 -8.059 12.395 1.00 0.00 C ATOM 1022 CD LYS B 10 -1.957 -6.618 12.162 1.00 0.00 C ATOM 1023 CE LYS B 10 -2.468 -5.974 13.439 1.00 0.00 C ATOM 1024 NZ LYS B 10 -1.439 -5.984 14.515 1.00 0.00 N ATOM 0 H LYS B 10 -1.237 -6.558 9.942 1.00 0.00 H new ATOM 0 HA LYS B 10 0.854 -7.813 11.203 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -1.921 -8.739 10.404 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -0.847 -9.777 11.321 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -2.365 -8.615 12.828 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -0.720 -8.086 13.120 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -1.111 -6.047 11.779 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -2.736 -6.585 11.400 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -2.768 -4.947 13.233 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -3.357 -6.503 13.782 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -1.744 -5.365 15.293 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -1.319 -6.954 14.871 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -0.534 -5.641 14.134 1.00 0.00 H new ATOM 1038 N THR B 11 0.088 -9.333 8.361 1.00 0.00 N ATOM 1039 CA THR B 11 0.578 -10.265 7.358 1.00 0.00 C ATOM 1040 C THR B 11 1.226 -9.537 6.185 1.00 0.00 C ATOM 1041 O THR B 11 1.795 -10.167 5.295 1.00 0.00 O ATOM 1042 CB THR B 11 -0.580 -11.121 6.854 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.694 -10.307 6.528 1.00 0.00 O ATOM 1044 CG2 THR B 11 -1.041 -12.160 7.854 1.00 0.00 C ATOM 0 H THR B 11 -0.817 -8.918 8.139 1.00 0.00 H new ATOM 0 HA THR B 11 1.337 -10.895 7.821 1.00 0.00 H new ATOM 0 HB THR B 11 -0.197 -11.640 5.975 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.519 -10.750 6.818 1.00 0.00 H new ATOM 0 HG21 THR B 11 -1.866 -12.732 7.430 1.00 0.00 H new ATOM 0 HG22 THR B 11 -0.215 -12.832 8.087 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.374 -11.665 8.766 1.00 0.00 H new ATOM 1052 N LEU B 12 1.132 -8.214 6.183 1.00 0.00 N ATOM 1053 CA LEU B 12 1.707 -7.422 5.111 1.00 0.00 C ATOM 1054 C LEU B 12 2.482 -6.238 5.668 1.00 0.00 C ATOM 1055 O LEU B 12 2.018 -5.558 6.572 1.00 0.00 O ATOM 1056 CB LEU B 12 0.603 -6.943 4.165 1.00 0.00 C ATOM 1057 CG LEU B 12 1.077 -6.104 2.986 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.277 -6.761 2.332 1.00 0.00 C ATOM 1059 CD2 LEU B 12 -0.050 -5.918 1.979 1.00 0.00 C ATOM 0 H LEU B 12 0.665 -7.671 6.909 1.00 0.00 H new ATOM 0 HA LEU B 12 2.404 -8.048 4.553 1.00 0.00 H new ATOM 0 HB2 LEU B 12 0.073 -7.814 3.780 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.117 -6.360 4.739 1.00 0.00 H new ATOM 0 HG LEU B 12 1.374 -5.120 3.349 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.610 -6.155 1.490 1.00 0.00 H new ATOM 0 HD12 LEU B 12 3.085 -6.848 3.058 1.00 0.00 H new ATOM 0 HD13 LEU B 12 2.000 -7.754 1.977 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.305 -5.316 1.142 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.375 -6.892 1.613 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.888 -5.413 2.460 1.00 0.00 H new ATOM 1071 N LYS B 13 3.665 -5.996 5.120 1.00 0.00 N ATOM 1072 CA LYS B 13 4.500 -4.887 5.569 1.00 0.00 C ATOM 1073 C LYS B 13 5.264 -4.281 4.398 1.00 0.00 C ATOM 1074 O LYS B 13 5.698 -4.996 3.495 1.00 0.00 O ATOM 1075 CB LYS B 13 5.476 -5.358 6.649 1.00 0.00 C ATOM 1076 CG LYS B 13 4.787 -5.902 7.891 1.00 0.00 C ATOM 1077 CD LYS B 13 5.794 -6.359 8.934 1.00 0.00 C ATOM 1078 CE LYS B 13 5.102 -6.895 10.178 1.00 0.00 C ATOM 1079 NZ LYS B 13 4.220 -8.054 9.870 1.00 0.00 N ATOM 0 H LYS B 13 4.069 -6.551 4.365 1.00 0.00 H new ATOM 0 HA LYS B 13 3.851 -4.120 5.993 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.121 -6.131 6.233 1.00 0.00 H new ATOM 0 HB3 LYS B 13 6.119 -4.526 6.935 1.00 0.00 H new ATOM 0 HG2 LYS B 13 4.144 -5.132 8.318 1.00 0.00 H new ATOM 0 HG3 LYS B 13 4.144 -6.737 7.615 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.433 -7.133 8.510 1.00 0.00 H new ATOM 0 HD3 LYS B 13 6.441 -5.525 9.207 1.00 0.00 H new ATOM 0 HE2 LYS B 13 5.852 -7.195 10.909 1.00 0.00 H new ATOM 0 HE3 LYS B 13 4.511 -6.101 10.635 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 4.039 -8.594 10.740 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 3.318 -7.711 9.482 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 4.685 -8.668 9.172 1.00 0.00 H new ATOM 1093 N GLY B 14 5.427 -2.962 4.414 1.00 0.00 N ATOM 1094 CA GLY B 14 6.140 -2.300 3.338 1.00 0.00 C ATOM 1095 C GLY B 14 6.259 -0.804 3.533 1.00 0.00 C ATOM 1096 O GLY B 14 5.968 -0.281 4.609 1.00 0.00 O ATOM 0 H GLY B 14 5.081 -2.344 5.148 1.00 0.00 H new ATOM 0 HA2 GLY B 14 7.138 -2.729 3.254 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.628 -2.497 2.396 1.00 0.00 H new ATOM 1100 N GLU B 15 6.690 -0.115 2.480 1.00 0.00 N ATOM 1101 CA GLU B 15 6.851 1.332 2.519 1.00 0.00 C ATOM 1102 C GLU B 15 6.555 1.945 1.154 1.00 0.00 C ATOM 1103 O GLU B 15 6.888 1.372 0.118 1.00 0.00 O ATOM 1104 CB GLU B 15 8.269 1.696 2.965 1.00 0.00 C ATOM 1105 CG GLU B 15 8.615 1.195 4.357 1.00 0.00 C ATOM 1106 CD GLU B 15 10.015 1.589 4.790 1.00 0.00 C ATOM 1107 OE1 GLU B 15 10.298 2.804 4.851 1.00 0.00 O ATOM 1108 OE2 GLU B 15 10.828 0.683 5.068 1.00 0.00 O ATOM 0 H GLU B 15 6.935 -0.540 1.586 1.00 0.00 H new ATOM 0 HA GLU B 15 6.140 1.736 3.239 1.00 0.00 H new ATOM 0 HB2 GLU B 15 8.983 1.284 2.252 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.382 2.780 2.939 1.00 0.00 H new ATOM 0 HG2 GLU B 15 7.893 1.591 5.071 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.524 0.109 4.381 1.00 0.00 H new ATOM 1115 N THR B 16 5.920 3.110 1.165 1.00 0.00 N ATOM 1116 CA THR B 16 5.566 3.808 -0.064 1.00 0.00 C ATOM 1117 C THR B 16 5.783 5.316 0.077 1.00 0.00 C ATOM 1118 O THR B 16 6.025 5.810 1.176 1.00 0.00 O ATOM 1119 CB THR B 16 4.116 3.499 -0.457 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.627 4.480 -1.333 1.00 0.00 O ATOM 1121 CG2 THR B 16 3.159 3.417 0.715 1.00 0.00 C ATOM 0 H THR B 16 5.638 3.594 2.017 1.00 0.00 H new ATOM 0 HA THR B 16 6.222 3.451 -0.858 1.00 0.00 H new ATOM 0 HB THR B 16 4.156 2.517 -0.927 1.00 0.00 H new ATOM 0 HG1 THR B 16 2.702 4.269 -1.577 1.00 0.00 H new ATOM 0 HG21 THR B 16 2.156 3.195 0.351 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.481 2.627 1.393 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.150 4.369 1.245 1.00 0.00 H new ATOM 1129 N THR B 17 5.716 6.040 -1.042 1.00 0.00 N ATOM 1130 CA THR B 17 5.929 7.488 -1.020 1.00 0.00 C ATOM 1131 C THR B 17 5.032 8.240 -2.006 1.00 0.00 C ATOM 1132 O THR B 17 5.094 8.020 -3.217 1.00 0.00 O ATOM 1133 CB THR B 17 7.393 7.805 -1.326 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.767 7.274 -2.585 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.352 7.260 -0.294 1.00 0.00 C ATOM 0 H THR B 17 5.518 5.653 -1.965 1.00 0.00 H new ATOM 0 HA THR B 17 5.666 7.827 -0.018 1.00 0.00 H new ATOM 0 HB THR B 17 7.461 8.893 -1.320 1.00 0.00 H new ATOM 0 HG1 THR B 17 7.002 7.314 -3.197 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.373 7.521 -0.573 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.121 7.690 0.681 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.255 6.175 -0.244 1.00 0.00 H new ATOM 1143 N THR B 18 4.224 9.154 -1.473 1.00 0.00 N ATOM 1144 CA THR B 18 3.332 9.985 -2.284 1.00 0.00 C ATOM 1145 C THR B 18 3.887 11.407 -2.358 1.00 0.00 C ATOM 1146 O THR B 18 4.458 11.907 -1.389 1.00 0.00 O ATOM 1147 CB THR B 18 1.928 10.017 -1.673 1.00 0.00 C ATOM 1148 OG1 THR B 18 1.035 10.723 -2.515 1.00 0.00 O ATOM 1149 CG2 THR B 18 1.882 10.670 -0.308 1.00 0.00 C ATOM 0 H THR B 18 4.168 9.340 -0.472 1.00 0.00 H new ATOM 0 HA THR B 18 3.270 9.560 -3.286 1.00 0.00 H new ATOM 0 HB THR B 18 1.634 8.973 -1.567 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.307 10.609 -3.450 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.858 10.659 0.066 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.526 10.122 0.380 1.00 0.00 H new ATOM 0 HG23 THR B 18 2.229 11.700 -0.386 1.00 0.00 H new ATOM 1157 N GLU B 19 3.711 12.059 -3.499 1.00 0.00 N ATOM 1158 CA GLU B 19 4.189 13.428 -3.676 1.00 0.00 C ATOM 1159 C GLU B 19 3.022 14.403 -3.594 1.00 0.00 C ATOM 1160 O GLU B 19 2.149 14.406 -4.463 1.00 0.00 O ATOM 1161 CB GLU B 19 4.902 13.575 -5.022 1.00 0.00 C ATOM 1162 CG GLU B 19 5.431 14.977 -5.281 1.00 0.00 C ATOM 1163 CD GLU B 19 6.448 15.419 -4.247 1.00 0.00 C ATOM 1164 OE1 GLU B 19 7.487 14.740 -4.108 1.00 0.00 O ATOM 1165 OE2 GLU B 19 6.206 16.446 -3.579 1.00 0.00 O ATOM 0 H GLU B 19 3.242 11.666 -4.315 1.00 0.00 H new ATOM 0 HA GLU B 19 4.898 13.655 -2.880 1.00 0.00 H new ATOM 0 HB2 GLU B 19 5.732 12.869 -5.063 1.00 0.00 H new ATOM 0 HB3 GLU B 19 4.212 13.303 -5.821 1.00 0.00 H new ATOM 0 HG2 GLU B 19 5.886 15.012 -6.271 1.00 0.00 H new ATOM 0 HG3 GLU B 19 4.598 15.680 -5.289 1.00 0.00 H new ATOM 1172 N ALA B 20 2.994 15.220 -2.546 1.00 0.00 N ATOM 1173 CA ALA B 20 1.912 16.177 -2.367 1.00 0.00 C ATOM 1174 C ALA B 20 2.408 17.494 -1.773 1.00 0.00 C ATOM 1175 O ALA B 20 3.384 17.527 -1.023 1.00 0.00 O ATOM 1176 CB ALA B 20 0.831 15.577 -1.484 1.00 0.00 C ATOM 0 H ALA B 20 3.704 15.238 -1.813 1.00 0.00 H new ATOM 0 HA ALA B 20 1.498 16.398 -3.351 1.00 0.00 H new ATOM 0 HB1 ALA B 20 0.025 16.299 -1.355 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.438 14.674 -1.952 1.00 0.00 H new ATOM 0 HB3 ALA B 20 1.253 15.327 -0.511 1.00 0.00 H new ATOM 1182 N VAL B 21 1.731 18.575 -2.137 1.00 0.00 N ATOM 1183 CA VAL B 21 2.088 19.915 -1.676 1.00 0.00 C ATOM 1184 C VAL B 21 2.241 19.971 -0.153 1.00 0.00 C ATOM 1185 O VAL B 21 2.968 20.814 0.372 1.00 0.00 O ATOM 1186 CB VAL B 21 1.028 20.945 -2.105 1.00 0.00 C ATOM 1187 CG1 VAL B 21 1.485 22.357 -1.776 1.00 0.00 C ATOM 1188 CG2 VAL B 21 0.715 20.804 -3.586 1.00 0.00 C ATOM 0 H VAL B 21 0.922 18.551 -2.757 1.00 0.00 H new ATOM 0 HA VAL B 21 3.046 20.158 -2.136 1.00 0.00 H new ATOM 0 HB VAL B 21 0.113 20.750 -1.546 1.00 0.00 H new ATOM 0 HG11 VAL B 21 0.721 23.069 -2.088 1.00 0.00 H new ATOM 0 HG12 VAL B 21 1.647 22.446 -0.702 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.415 22.570 -2.302 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -0.036 21.540 -3.871 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.623 20.968 -4.167 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.334 19.802 -3.784 1.00 0.00 H new ATOM 1198 N ASP B 22 1.562 19.070 0.547 1.00 0.00 N ATOM 1199 CA ASP B 22 1.641 19.029 2.006 1.00 0.00 C ATOM 1200 C ASP B 22 1.299 17.641 2.542 1.00 0.00 C ATOM 1201 O ASP B 22 0.981 16.730 1.778 1.00 0.00 O ATOM 1202 CB ASP B 22 0.715 20.080 2.625 1.00 0.00 C ATOM 1203 CG ASP B 22 -0.748 19.815 2.333 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -1.266 18.779 2.795 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.376 20.647 1.644 1.00 0.00 O ATOM 0 H ASP B 22 0.955 18.362 0.134 1.00 0.00 H new ATOM 0 HA ASP B 22 2.669 19.256 2.289 1.00 0.00 H new ATOM 0 HB2 ASP B 22 0.868 20.102 3.704 1.00 0.00 H new ATOM 0 HB3 ASP B 22 0.985 21.065 2.244 1.00 0.00 H new ATOM 1210 N ALA B 23 1.378 17.489 3.859 1.00 0.00 N ATOM 1211 CA ALA B 23 1.087 16.213 4.503 1.00 0.00 C ATOM 1212 C ALA B 23 -0.350 15.776 4.256 1.00 0.00 C ATOM 1213 O ALA B 23 -0.611 14.608 3.966 1.00 0.00 O ATOM 1214 CB ALA B 23 1.369 16.298 5.995 1.00 0.00 C ATOM 0 H ALA B 23 1.642 18.235 4.503 1.00 0.00 H new ATOM 0 HA ALA B 23 1.741 15.461 4.062 1.00 0.00 H new ATOM 0 HB1 ALA B 23 1.147 15.339 6.462 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.419 16.545 6.153 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.743 17.072 6.440 1.00 0.00 H new ATOM 1220 N ALA B 24 -1.279 16.717 4.364 1.00 0.00 N ATOM 1221 CA ALA B 24 -2.685 16.413 4.140 1.00 0.00 C ATOM 1222 C ALA B 24 -2.895 15.958 2.707 1.00 0.00 C ATOM 1223 O ALA B 24 -3.425 14.873 2.467 1.00 0.00 O ATOM 1224 CB ALA B 24 -3.555 17.622 4.458 1.00 0.00 C ATOM 0 H ALA B 24 -1.086 17.690 4.603 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.980 15.604 4.809 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.602 17.373 4.284 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.418 17.904 5.502 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.269 18.455 3.816 1.00 0.00 H new ATOM 1230 N THR B 25 -2.448 16.770 1.751 1.00 0.00 N ATOM 1231 CA THR B 25 -2.562 16.417 0.350 1.00 0.00 C ATOM 1232 C THR B 25 -2.009 15.014 0.149 1.00 0.00 C ATOM 1233 O THR B 25 -2.628 14.174 -0.504 1.00 0.00 O ATOM 1234 CB THR B 25 -1.797 17.423 -0.510 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.448 17.516 -0.095 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.385 18.817 -0.474 1.00 0.00 C ATOM 0 H THR B 25 -2.006 17.672 1.927 1.00 0.00 H new ATOM 0 HA THR B 25 -3.609 16.440 0.048 1.00 0.00 H new ATOM 0 HB THR B 25 -1.872 17.042 -1.529 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.367 17.199 0.829 1.00 0.00 H new ATOM 0 HG21 THR B 25 -1.792 19.478 -1.106 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.411 18.789 -0.840 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.375 19.190 0.550 1.00 0.00 H new ATOM 1244 N ALA B 26 -0.851 14.762 0.754 1.00 0.00 N ATOM 1245 CA ALA B 26 -0.228 13.453 0.680 1.00 0.00 C ATOM 1246 C ALA B 26 -1.163 12.408 1.268 1.00 0.00 C ATOM 1247 O ALA B 26 -1.466 11.400 0.629 1.00 0.00 O ATOM 1248 CB ALA B 26 1.104 13.451 1.417 1.00 0.00 C ATOM 0 H ALA B 26 -0.330 15.449 1.299 1.00 0.00 H new ATOM 0 HA ALA B 26 -0.036 13.211 -0.365 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.555 12.461 1.350 1.00 0.00 H new ATOM 0 HB2 ALA B 26 1.771 14.185 0.965 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.941 13.705 2.464 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.633 12.659 2.492 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.547 11.743 3.158 1.00 0.00 C ATOM 1256 C GLU B 27 -3.765 11.476 2.286 1.00 0.00 C ATOM 1257 O GLU B 27 -4.162 10.328 2.095 1.00 0.00 O ATOM 1258 CB GLU B 27 -2.997 12.301 4.505 1.00 0.00 C ATOM 1259 CG GLU B 27 -3.854 11.335 5.300 1.00 0.00 C ATOM 1260 CD GLU B 27 -4.302 11.908 6.630 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -4.978 12.958 6.625 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -3.977 11.308 7.675 1.00 0.00 O ATOM 0 H GLU B 27 -1.394 13.488 3.036 1.00 0.00 H new ATOM 0 HA GLU B 27 -2.014 10.808 3.327 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -2.118 12.564 5.093 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -3.557 13.221 4.340 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -4.731 11.065 4.712 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -3.293 10.417 5.475 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.345 12.545 1.738 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.509 12.419 0.873 1.00 0.00 C ATOM 1271 C LYS B 28 -5.164 11.580 -0.347 1.00 0.00 C ATOM 1272 O LYS B 28 -5.907 10.674 -0.722 1.00 0.00 O ATOM 1273 CB LYS B 28 -6.010 13.799 0.441 1.00 0.00 C ATOM 1274 CG LYS B 28 -6.484 14.666 1.599 1.00 0.00 C ATOM 1275 CD LYS B 28 -7.625 14.018 2.375 1.00 0.00 C ATOM 1276 CE LYS B 28 -8.913 13.957 1.564 1.00 0.00 C ATOM 1277 NZ LYS B 28 -8.841 12.966 0.454 1.00 0.00 N ATOM 0 H LYS B 28 -4.026 13.503 1.880 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.304 11.923 1.430 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.210 14.318 -0.086 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.829 13.674 -0.267 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.649 14.855 2.274 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -6.810 15.633 1.217 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -7.335 13.009 2.669 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.802 14.579 3.293 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -9.742 13.700 2.223 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -9.127 14.944 1.153 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.777 12.535 0.313 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -8.545 13.445 -0.420 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -8.151 12.226 0.694 1.00 0.00 H new ATOM 1291 N VAL B 29 -4.019 11.876 -0.953 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.567 11.133 -2.117 1.00 0.00 C ATOM 1293 C VAL B 29 -3.445 9.658 -1.774 1.00 0.00 C ATOM 1294 O VAL B 29 -3.818 8.791 -2.565 1.00 0.00 O ATOM 1295 CB VAL B 29 -2.214 11.659 -2.636 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -1.735 10.838 -3.822 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -2.320 13.131 -3.009 1.00 0.00 C ATOM 0 H VAL B 29 -3.391 12.623 -0.656 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.307 11.268 -2.906 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.480 11.560 -1.836 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.779 11.227 -4.171 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.615 9.798 -3.520 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -2.468 10.899 -4.627 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.355 13.484 -3.373 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -3.070 13.255 -3.790 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.610 13.709 -2.131 1.00 0.00 H new ATOM 1307 N VAL B 30 -2.958 9.381 -0.573 1.00 0.00 N ATOM 1308 CA VAL B 30 -2.834 8.014 -0.112 1.00 0.00 C ATOM 1309 C VAL B 30 -4.233 7.432 0.055 1.00 0.00 C ATOM 1310 O VAL B 30 -4.531 6.353 -0.451 1.00 0.00 O ATOM 1311 CB VAL B 30 -2.063 7.934 1.218 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -1.918 6.491 1.678 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -0.699 8.593 1.081 1.00 0.00 C ATOM 0 H VAL B 30 -2.644 10.085 0.095 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.270 7.441 -0.848 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.634 8.472 1.975 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.370 6.463 2.620 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.906 6.053 1.820 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -1.374 5.922 0.924 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -0.167 8.528 2.030 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.125 8.084 0.307 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -0.827 9.640 0.808 1.00 0.00 H new ATOM 1323 N LYS B 31 -5.107 8.175 0.750 1.00 0.00 N ATOM 1324 CA LYS B 31 -6.490 7.738 0.946 1.00 0.00 C ATOM 1325 C LYS B 31 -7.064 7.251 -0.378 1.00 0.00 C ATOM 1326 O LYS B 31 -7.583 6.143 -0.476 1.00 0.00 O ATOM 1327 CB LYS B 31 -7.371 8.877 1.472 1.00 0.00 C ATOM 1328 CG LYS B 31 -7.005 9.402 2.855 1.00 0.00 C ATOM 1329 CD LYS B 31 -7.008 8.307 3.903 1.00 0.00 C ATOM 1330 CE LYS B 31 -7.391 8.843 5.274 1.00 0.00 C ATOM 1331 NZ LYS B 31 -6.420 9.855 5.769 1.00 0.00 N ATOM 0 H LYS B 31 -4.881 9.072 1.180 1.00 0.00 H new ATOM 0 HA LYS B 31 -6.483 6.934 1.682 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -7.326 9.705 0.764 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.405 8.533 1.495 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -6.018 9.863 2.817 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -7.710 10.181 3.144 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -7.707 7.524 3.610 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -6.020 7.849 3.954 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -8.385 9.288 5.224 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -7.447 8.017 5.983 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -6.641 10.094 6.757 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -5.456 9.468 5.713 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -6.483 10.712 5.183 1.00 0.00 H new ATOM 1345 N GLN B 32 -6.948 8.100 -1.396 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.441 7.771 -2.726 1.00 0.00 C ATOM 1347 C GLN B 32 -6.727 6.535 -3.256 1.00 0.00 C ATOM 1348 O GLN B 32 -7.330 5.680 -3.906 1.00 0.00 O ATOM 1349 CB GLN B 32 -7.237 8.950 -3.681 1.00 0.00 C ATOM 1350 CG GLN B 32 -7.838 8.728 -5.062 1.00 0.00 C ATOM 1351 CD GLN B 32 -9.359 8.624 -5.064 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -9.997 8.884 -3.922 1.00 0.00 O flip ATOM 1353 NE2 GLN B 32 -9.961 8.326 -6.094 1.00 0.00 N flip ATOM 0 H GLN B 32 -6.516 9.021 -1.323 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.509 7.562 -2.660 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.679 9.844 -3.241 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -6.169 9.141 -3.785 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -7.539 9.549 -5.714 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -7.421 7.815 -5.487 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -9.442 8.133 -6.951 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -10.980 8.272 -6.092 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.435 6.445 -2.956 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.620 5.313 -3.381 1.00 0.00 C ATOM 1364 C PHE B 33 -5.276 3.998 -2.951 1.00 0.00 C ATOM 1365 O PHE B 33 -5.684 3.188 -3.782 1.00 0.00 O ATOM 1366 CB PHE B 33 -3.219 5.436 -2.769 1.00 0.00 C ATOM 1367 CG PHE B 33 -2.213 4.490 -3.353 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.809 4.627 -4.671 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.674 3.462 -2.590 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -0.888 3.755 -5.217 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.751 2.592 -3.135 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.359 2.739 -4.452 1.00 0.00 C ATOM 0 H PHE B 33 -4.928 7.147 -2.417 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.537 5.316 -4.468 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.863 6.457 -2.904 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.286 5.261 -1.695 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -2.218 5.422 -5.276 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -1.980 3.342 -1.561 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -0.582 3.870 -6.246 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.336 1.797 -2.533 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.361 2.058 -4.881 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.375 3.816 -1.641 1.00 0.00 N ATOM 1383 CA PHE B 34 -5.984 2.618 -1.067 1.00 0.00 C ATOM 1384 C PHE B 34 -7.480 2.589 -1.342 1.00 0.00 C ATOM 1385 O PHE B 34 -8.042 1.542 -1.658 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.686 2.556 0.423 1.00 0.00 C ATOM 1387 CG PHE B 34 -4.213 2.539 0.683 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.401 1.631 0.024 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.636 3.443 1.554 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -2.040 1.625 0.231 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.272 3.437 1.771 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.475 2.526 1.107 1.00 0.00 C ATOM 0 H PHE B 34 -5.040 4.487 -0.949 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.553 1.735 -1.539 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -6.135 3.415 0.922 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.143 1.664 0.851 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.840 0.920 -0.660 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.257 4.161 2.070 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.416 0.915 -0.292 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -1.830 4.143 2.458 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.408 2.520 1.274 1.00 0.00 H new ATOM 1402 N ASN B 35 -8.116 3.750 -1.249 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.544 3.864 -1.521 1.00 0.00 C ATOM 1404 C ASN B 35 -9.855 3.245 -2.881 1.00 0.00 C ATOM 1405 O ASN B 35 -10.891 2.609 -3.077 1.00 0.00 O ATOM 1406 CB ASN B 35 -9.942 5.339 -1.531 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.408 5.556 -1.832 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -11.952 5.000 -2.786 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -12.046 6.396 -1.031 1.00 0.00 N ATOM 0 H ASN B 35 -7.665 4.627 -0.987 1.00 0.00 H new ATOM 0 HA ASN B 35 -10.105 3.340 -0.747 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.707 5.779 -0.562 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.343 5.866 -2.274 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -13.031 6.606 -1.193 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -11.552 6.833 -0.253 1.00 0.00 H new ATOM 1416 N ASP B 36 -8.933 3.461 -3.816 1.00 0.00 N ATOM 1417 CA ASP B 36 -9.068 2.955 -5.179 1.00 0.00 C ATOM 1418 C ASP B 36 -8.373 1.604 -5.378 1.00 0.00 C ATOM 1419 O ASP B 36 -8.773 0.825 -6.242 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.515 3.976 -6.176 1.00 0.00 C ATOM 1421 CG ASP B 36 -9.244 5.306 -6.114 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -10.183 5.433 -5.299 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -8.875 6.221 -6.878 1.00 0.00 O ATOM 0 H ASP B 36 -8.076 3.989 -3.651 1.00 0.00 H new ATOM 0 HA ASP B 36 -10.132 2.800 -5.357 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.456 4.137 -5.976 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.591 3.571 -7.185 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.345 1.315 -4.580 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.639 0.037 -4.698 1.00 0.00 C ATOM 1430 C ASN B 37 -7.454 -1.070 -4.047 1.00 0.00 C ATOM 1431 O ASN B 37 -7.538 -2.184 -4.566 1.00 0.00 O ATOM 1432 CB ASN B 37 -5.254 0.097 -4.042 1.00 0.00 C ATOM 1433 CG ASN B 37 -4.303 1.042 -4.746 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -4.224 1.062 -5.975 1.00 0.00 O ATOM 1435 ND2 ASN B 37 -3.542 1.808 -3.969 1.00 0.00 N ATOM 0 H ASN B 37 -6.986 1.937 -3.855 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.509 -0.171 -5.760 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.364 0.409 -3.003 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.821 -0.903 -4.030 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -2.862 2.442 -4.388 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.639 1.761 -2.955 1.00 0.00 H new ATOM 1442 N GLY B 38 -8.042 -0.726 -2.902 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.865 -1.635 -2.117 1.00 0.00 C ATOM 1444 C GLY B 38 -9.188 -2.970 -2.767 1.00 0.00 C ATOM 1445 O GLY B 38 -8.306 -3.800 -2.985 1.00 0.00 O ATOM 0 H GLY B 38 -7.957 0.204 -2.491 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -8.359 -1.827 -1.171 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.803 -1.132 -1.880 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.476 -3.201 -2.992 1.00 0.00 N ATOM 1450 CA VAL B 39 -10.953 -4.472 -3.529 1.00 0.00 C ATOM 1451 C VAL B 39 -10.847 -4.621 -5.048 1.00 0.00 C ATOM 1452 O VAL B 39 -10.281 -5.601 -5.531 1.00 0.00 O ATOM 1453 CB VAL B 39 -12.413 -4.719 -3.096 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -12.975 -5.976 -3.749 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -12.506 -4.814 -1.580 1.00 0.00 C ATOM 0 H VAL B 39 -11.214 -2.521 -2.810 1.00 0.00 H new ATOM 0 HA VAL B 39 -10.281 -5.220 -3.109 1.00 0.00 H new ATOM 0 HB VAL B 39 -13.014 -3.873 -3.430 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -14.005 -6.125 -3.425 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -12.947 -5.866 -4.833 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -12.375 -6.838 -3.456 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -13.542 -4.988 -1.289 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -11.887 -5.639 -1.228 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -12.156 -3.883 -1.135 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.430 -3.702 -5.805 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.423 -3.815 -7.266 1.00 0.00 C ATOM 1467 C ASP B 40 -10.212 -3.159 -7.925 1.00 0.00 C ATOM 1468 O ASP B 40 -10.280 -2.760 -9.088 1.00 0.00 O ATOM 1469 CB ASP B 40 -12.704 -3.207 -7.839 1.00 0.00 C ATOM 1470 CG ASP B 40 -13.951 -3.912 -7.344 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -14.172 -3.934 -6.115 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -14.708 -4.439 -8.186 1.00 0.00 O ATOM 0 H ASP B 40 -11.909 -2.878 -5.443 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.365 -4.880 -7.491 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.755 -2.152 -7.568 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -12.671 -3.256 -8.927 1.00 0.00 H new ATOM 1477 N GLY B 41 -9.107 -3.052 -7.202 1.00 0.00 N ATOM 1478 CA GLY B 41 -7.918 -2.446 -7.777 1.00 0.00 C ATOM 1479 C GLY B 41 -7.352 -3.263 -8.928 1.00 0.00 C ATOM 1480 O GLY B 41 -7.393 -4.493 -8.903 1.00 0.00 O ATOM 0 H GLY B 41 -9.009 -3.369 -6.238 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -8.159 -1.443 -8.130 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.158 -2.338 -7.003 1.00 0.00 H new ATOM 1484 N GLU B 42 -6.813 -2.576 -9.935 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.224 -3.247 -11.095 1.00 0.00 C ATOM 1486 C GLU B 42 -4.824 -3.751 -10.756 1.00 0.00 C ATOM 1487 O GLU B 42 -3.851 -3.003 -10.836 1.00 0.00 O ATOM 1488 CB GLU B 42 -6.156 -2.292 -12.289 1.00 0.00 C ATOM 1489 CG GLU B 42 -7.515 -1.777 -12.739 1.00 0.00 C ATOM 1490 CD GLU B 42 -7.420 -0.848 -13.934 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -6.291 -0.604 -14.413 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -8.476 -0.362 -14.393 1.00 0.00 O ATOM 0 H GLU B 42 -6.772 -1.557 -9.972 1.00 0.00 H new ATOM 0 HA GLU B 42 -6.855 -4.095 -11.359 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.524 -1.443 -12.028 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.676 -2.802 -13.124 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -8.155 -2.623 -12.991 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -7.992 -1.251 -11.912 1.00 0.00 H new ATOM 1499 N TRP B 43 -4.732 -5.015 -10.351 1.00 0.00 N ATOM 1500 CA TRP B 43 -3.449 -5.597 -9.971 1.00 0.00 C ATOM 1501 C TRP B 43 -2.933 -6.592 -11.007 1.00 0.00 C ATOM 1502 O TRP B 43 -3.655 -7.493 -11.432 1.00 0.00 O ATOM 1503 CB TRP B 43 -3.567 -6.346 -8.643 1.00 0.00 C ATOM 1504 CG TRP B 43 -4.174 -5.576 -7.509 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -4.858 -4.394 -7.556 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -4.148 -5.968 -6.139 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -5.267 -4.037 -6.291 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -4.840 -4.989 -5.405 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.605 -7.059 -5.463 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -5.004 -5.075 -4.027 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -3.765 -7.142 -4.098 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -4.461 -6.155 -3.390 1.00 0.00 C ATOM 0 H TRP B 43 -5.525 -5.652 -10.278 1.00 0.00 H new ATOM 0 HA TRP B 43 -2.754 -4.761 -9.891 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -4.162 -7.244 -8.806 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -2.572 -6.673 -8.343 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -5.049 -3.824 -8.453 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -5.800 -3.201 -6.053 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -3.068 -7.826 -6.001 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.542 -4.315 -3.479 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -3.347 -7.983 -3.565 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -4.571 -6.249 -2.320 1.00 0.00 H new ATOM 1523 N THR B 44 -1.661 -6.453 -11.367 1.00 0.00 N ATOM 1524 CA THR B 44 -1.022 -7.369 -12.301 1.00 0.00 C ATOM 1525 C THR B 44 0.035 -8.174 -11.548 1.00 0.00 C ATOM 1526 O THR B 44 0.702 -7.642 -10.660 1.00 0.00 O ATOM 1527 CB THR B 44 -0.395 -6.611 -13.472 1.00 0.00 C ATOM 1528 OG1 THR B 44 0.544 -5.661 -13.012 1.00 0.00 O ATOM 1529 CG2 THR B 44 -1.410 -5.876 -14.322 1.00 0.00 C ATOM 0 H THR B 44 -1.051 -5.711 -11.023 1.00 0.00 H new ATOM 0 HA THR B 44 -1.770 -8.043 -12.717 1.00 0.00 H new ATOM 0 HB THR B 44 0.085 -7.375 -14.084 1.00 0.00 H new ATOM 0 HG1 THR B 44 1.248 -6.116 -12.504 1.00 0.00 H new ATOM 0 HG21 THR B 44 -0.899 -5.360 -15.134 1.00 0.00 H new ATOM 0 HG22 THR B 44 -2.122 -6.589 -14.737 1.00 0.00 H new ATOM 0 HG23 THR B 44 -1.941 -5.149 -13.707 1.00 0.00 H new ATOM 1537 N TYR B 45 0.172 -9.456 -11.872 1.00 0.00 N ATOM 1538 CA TYR B 45 1.134 -10.307 -11.173 1.00 0.00 C ATOM 1539 C TYR B 45 2.294 -10.734 -12.071 1.00 0.00 C ATOM 1540 O TYR B 45 2.121 -10.970 -13.266 1.00 0.00 O ATOM 1541 CB TYR B 45 0.426 -11.546 -10.619 1.00 0.00 C ATOM 1542 CG TYR B 45 1.336 -12.479 -9.851 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.213 -11.993 -8.889 1.00 0.00 C ATOM 1544 CD2 TYR B 45 1.318 -13.848 -10.088 1.00 0.00 C ATOM 1545 CE1 TYR B 45 3.043 -12.844 -8.185 1.00 0.00 C ATOM 1546 CE2 TYR B 45 2.145 -14.705 -9.389 1.00 0.00 C ATOM 1547 CZ TYR B 45 3.006 -14.199 -8.439 1.00 0.00 C ATOM 1548 OH TYR B 45 3.832 -15.049 -7.739 1.00 0.00 O ATOM 0 H TYR B 45 -0.362 -9.925 -12.604 1.00 0.00 H new ATOM 0 HA TYR B 45 1.553 -9.719 -10.356 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.386 -11.227 -9.966 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -0.026 -12.094 -11.445 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.246 -10.932 -8.688 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.645 -14.249 -10.832 1.00 0.00 H new ATOM 0 HE1 TYR B 45 3.718 -12.450 -7.439 1.00 0.00 H new ATOM 0 HE2 TYR B 45 2.117 -15.767 -9.586 1.00 0.00 H new ATOM 0 HH TYR B 45 3.681 -15.970 -8.037 1.00 0.00 H new ATOM 1558 N ASP B 46 3.473 -10.851 -11.465 1.00 0.00 N ATOM 1559 CA ASP B 46 4.676 -11.274 -12.173 1.00 0.00 C ATOM 1560 C ASP B 46 5.277 -12.503 -11.494 1.00 0.00 C ATOM 1561 O ASP B 46 6.205 -12.392 -10.694 1.00 0.00 O ATOM 1562 CB ASP B 46 5.703 -10.139 -12.209 1.00 0.00 C ATOM 1563 CG ASP B 46 6.968 -10.522 -12.952 1.00 0.00 C ATOM 1564 OD1 ASP B 46 7.631 -11.493 -12.532 1.00 0.00 O ATOM 1565 OD2 ASP B 46 7.294 -9.852 -13.954 1.00 0.00 O ATOM 0 H ASP B 46 3.620 -10.656 -10.475 1.00 0.00 H new ATOM 0 HA ASP B 46 4.405 -11.530 -13.197 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.257 -9.265 -12.684 1.00 0.00 H new ATOM 0 HB3 ASP B 46 5.958 -9.852 -11.189 1.00 0.00 H new ATOM 1570 N ASP B 47 4.732 -13.675 -11.810 1.00 0.00 N ATOM 1571 CA ASP B 47 5.197 -14.930 -11.222 1.00 0.00 C ATOM 1572 C ASP B 47 6.720 -15.043 -11.252 1.00 0.00 C ATOM 1573 O ASP B 47 7.328 -15.581 -10.327 1.00 0.00 O ATOM 1574 CB ASP B 47 4.577 -16.120 -11.958 1.00 0.00 C ATOM 1575 CG ASP B 47 3.063 -16.115 -11.888 1.00 0.00 C ATOM 1576 OD1 ASP B 47 2.450 -15.135 -12.361 1.00 0.00 O ATOM 1577 OD2 ASP B 47 2.490 -17.090 -11.359 1.00 0.00 O ATOM 0 H ASP B 47 3.964 -13.783 -12.473 1.00 0.00 H new ATOM 0 HA ASP B 47 4.881 -14.938 -10.179 1.00 0.00 H new ATOM 0 HB2 ASP B 47 4.890 -16.102 -13.002 1.00 0.00 H new ATOM 0 HB3 ASP B 47 4.955 -17.047 -11.528 1.00 0.00 H new ATOM 1582 N ALA B 48 7.327 -14.551 -12.323 1.00 0.00 N ATOM 1583 CA ALA B 48 8.777 -14.615 -12.478 1.00 0.00 C ATOM 1584 C ALA B 48 9.512 -14.099 -11.242 1.00 0.00 C ATOM 1585 O ALA B 48 10.587 -14.592 -10.901 1.00 0.00 O ATOM 1586 CB ALA B 48 9.207 -13.833 -13.710 1.00 0.00 C ATOM 0 H ALA B 48 6.839 -14.103 -13.099 1.00 0.00 H new ATOM 0 HA ALA B 48 9.046 -15.664 -12.601 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.290 -13.888 -13.816 1.00 0.00 H new ATOM 0 HB2 ALA B 48 8.734 -14.259 -14.595 1.00 0.00 H new ATOM 0 HB3 ALA B 48 8.905 -12.791 -13.603 1.00 0.00 H new ATOM 1592 N THR B 49 8.934 -13.106 -10.577 1.00 0.00 N ATOM 1593 CA THR B 49 9.553 -12.532 -9.384 1.00 0.00 C ATOM 1594 C THR B 49 8.584 -12.476 -8.204 1.00 0.00 C ATOM 1595 O THR B 49 8.849 -11.794 -7.213 1.00 0.00 O ATOM 1596 CB THR B 49 10.075 -11.127 -9.686 1.00 0.00 C ATOM 1597 OG1 THR B 49 9.020 -10.279 -10.104 1.00 0.00 O ATOM 1598 CG2 THR B 49 11.139 -11.103 -10.763 1.00 0.00 C ATOM 0 H THR B 49 8.044 -12.683 -10.839 1.00 0.00 H new ATOM 0 HA THR B 49 10.381 -13.183 -9.105 1.00 0.00 H new ATOM 0 HB THR B 49 10.517 -10.776 -8.754 1.00 0.00 H new ATOM 0 HG1 THR B 49 8.627 -10.629 -10.931 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.466 -10.076 -10.929 1.00 0.00 H new ATOM 0 HG22 THR B 49 11.989 -11.708 -10.448 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.729 -11.507 -11.689 1.00 0.00 H new ATOM 1606 N LYS B 50 7.455 -13.174 -8.310 1.00 0.00 N ATOM 1607 CA LYS B 50 6.465 -13.164 -7.240 1.00 0.00 C ATOM 1608 C LYS B 50 6.098 -11.735 -6.861 1.00 0.00 C ATOM 1609 O LYS B 50 5.751 -11.454 -5.712 1.00 0.00 O ATOM 1610 CB LYS B 50 6.998 -13.894 -6.006 1.00 0.00 C ATOM 1611 CG LYS B 50 6.894 -15.406 -6.084 1.00 0.00 C ATOM 1612 CD LYS B 50 7.789 -15.982 -7.162 1.00 0.00 C ATOM 1613 CE LYS B 50 7.860 -17.497 -7.068 1.00 0.00 C ATOM 1614 NZ LYS B 50 8.722 -18.079 -8.135 1.00 0.00 N ATOM 0 H LYS B 50 7.206 -13.747 -9.117 1.00 0.00 H new ATOM 0 HA LYS B 50 5.575 -13.678 -7.604 1.00 0.00 H new ATOM 0 HB2 LYS B 50 8.043 -13.620 -5.859 1.00 0.00 H new ATOM 0 HB3 LYS B 50 6.451 -13.548 -5.129 1.00 0.00 H new ATOM 0 HG2 LYS B 50 7.163 -15.838 -5.120 1.00 0.00 H new ATOM 0 HG3 LYS B 50 5.860 -15.688 -6.282 1.00 0.00 H new ATOM 0 HD2 LYS B 50 7.412 -15.693 -8.143 1.00 0.00 H new ATOM 0 HD3 LYS B 50 8.791 -15.562 -7.069 1.00 0.00 H new ATOM 0 HE2 LYS B 50 8.249 -17.782 -6.091 1.00 0.00 H new ATOM 0 HE3 LYS B 50 6.856 -17.913 -7.145 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 8.745 -19.114 -8.037 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 8.337 -17.828 -9.068 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 9.687 -17.702 -8.046 1.00 0.00 H new ATOM 1628 N THR B 51 6.203 -10.829 -7.825 1.00 0.00 N ATOM 1629 CA THR B 51 5.905 -9.425 -7.581 1.00 0.00 C ATOM 1630 C THR B 51 4.582 -9.004 -8.214 1.00 0.00 C ATOM 1631 O THR B 51 4.302 -9.316 -9.370 1.00 0.00 O ATOM 1632 CB THR B 51 7.039 -8.546 -8.114 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.271 -8.895 -7.509 1.00 0.00 O ATOM 1634 CG2 THR B 51 6.814 -7.067 -7.875 1.00 0.00 C ATOM 0 H THR B 51 6.491 -11.041 -8.780 1.00 0.00 H new ATOM 0 HA THR B 51 5.814 -9.293 -6.503 1.00 0.00 H new ATOM 0 HB THR B 51 7.061 -8.725 -9.189 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.820 -9.394 -8.149 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.655 -6.501 -8.277 1.00 0.00 H new ATOM 0 HG22 THR B 51 5.895 -6.754 -8.371 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.730 -6.880 -6.804 1.00 0.00 H new ATOM 1642 N PHE B 52 3.785 -8.276 -7.438 1.00 0.00 N ATOM 1643 CA PHE B 52 2.495 -7.779 -7.901 1.00 0.00 C ATOM 1644 C PHE B 52 2.557 -6.262 -8.041 1.00 0.00 C ATOM 1645 O PHE B 52 3.180 -5.592 -7.227 1.00 0.00 O ATOM 1646 CB PHE B 52 1.387 -8.151 -6.910 1.00 0.00 C ATOM 1647 CG PHE B 52 1.337 -9.611 -6.553 1.00 0.00 C ATOM 1648 CD1 PHE B 52 2.393 -10.212 -5.883 1.00 0.00 C ATOM 1649 CD2 PHE B 52 0.228 -10.379 -6.871 1.00 0.00 C ATOM 1650 CE1 PHE B 52 2.343 -11.551 -5.543 1.00 0.00 C ATOM 1651 CE2 PHE B 52 0.174 -11.718 -6.532 1.00 0.00 C ATOM 1652 CZ PHE B 52 1.233 -12.304 -5.868 1.00 0.00 C ATOM 0 H PHE B 52 4.013 -8.016 -6.478 1.00 0.00 H new ATOM 0 HA PHE B 52 2.271 -8.234 -8.866 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.523 -7.571 -5.997 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.425 -7.860 -7.333 1.00 0.00 H new ATOM 0 HD1 PHE B 52 3.263 -9.627 -5.624 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.604 -9.926 -7.390 1.00 0.00 H new ATOM 0 HE1 PHE B 52 3.172 -12.008 -5.023 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -0.696 -12.305 -6.786 1.00 0.00 H new ATOM 0 HZ PHE B 52 1.193 -13.350 -5.603 1.00 0.00 H new ATOM 1662 N THR B 53 1.917 -5.714 -9.066 1.00 0.00 N ATOM 1663 CA THR B 53 1.925 -4.266 -9.266 1.00 0.00 C ATOM 1664 C THR B 53 0.517 -3.685 -9.224 1.00 0.00 C ATOM 1665 O THR B 53 -0.350 -4.059 -10.012 1.00 0.00 O ATOM 1666 CB THR B 53 2.611 -3.898 -10.582 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.254 -4.803 -11.608 1.00 0.00 O ATOM 1668 CG2 THR B 53 4.121 -3.872 -10.486 1.00 0.00 C ATOM 0 H THR B 53 1.392 -6.240 -9.765 1.00 0.00 H new ATOM 0 HA THR B 53 2.493 -3.831 -8.444 1.00 0.00 H new ATOM 0 HB THR B 53 2.265 -2.891 -10.814 1.00 0.00 H new ATOM 0 HG1 THR B 53 1.354 -4.592 -11.932 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.543 -3.604 -11.455 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.426 -3.136 -9.742 1.00 0.00 H new ATOM 0 HG23 THR B 53 4.484 -4.857 -10.192 1.00 0.00 H new ATOM 1676 N VAL B 54 0.307 -2.756 -8.294 1.00 0.00 N ATOM 1677 CA VAL B 54 -0.984 -2.100 -8.138 1.00 0.00 C ATOM 1678 C VAL B 54 -0.954 -0.711 -8.769 1.00 0.00 C ATOM 1679 O VAL B 54 -0.331 0.209 -8.241 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.389 -1.989 -6.649 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -2.734 -1.289 -6.508 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.433 -3.367 -6.008 1.00 0.00 C ATOM 0 H VAL B 54 1.020 -2.441 -7.635 1.00 0.00 H new ATOM 0 HA VAL B 54 -1.727 -2.713 -8.648 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.639 -1.391 -6.132 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -3.000 -1.221 -5.453 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -2.668 -0.286 -6.931 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.497 -1.857 -7.039 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -1.719 -3.272 -4.961 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -2.162 -3.987 -6.529 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.449 -3.831 -6.074 1.00 0.00 H new ATOM 1692 N THR B 55 -1.625 -0.571 -9.909 1.00 0.00 N ATOM 1693 CA THR B 55 -1.669 0.703 -10.619 1.00 0.00 C ATOM 1694 C THR B 55 -3.005 1.404 -10.413 1.00 0.00 C ATOM 1695 O THR B 55 -4.055 0.866 -10.767 1.00 0.00 O ATOM 1696 CB THR B 55 -1.416 0.492 -12.112 1.00 0.00 C ATOM 1697 OG1 THR B 55 -0.212 -0.224 -12.322 1.00 0.00 O ATOM 1698 CG2 THR B 55 -1.315 1.789 -12.883 1.00 0.00 C ATOM 0 H THR B 55 -2.145 -1.324 -10.360 1.00 0.00 H new ATOM 0 HA THR B 55 -0.883 1.338 -10.210 1.00 0.00 H new ATOM 0 HB THR B 55 -2.276 -0.069 -12.477 1.00 0.00 H new ATOM 0 HG1 THR B 55 -0.070 -0.350 -13.283 1.00 0.00 H new ATOM 0 HG21 THR B 55 -1.135 1.573 -13.936 1.00 0.00 H new ATOM 0 HG22 THR B 55 -2.246 2.347 -12.781 1.00 0.00 H new ATOM 0 HG23 THR B 55 -0.491 2.384 -12.489 1.00 0.00 H new ATOM 1706 N GLU B 56 -2.967 2.600 -9.831 1.00 0.00 N ATOM 1707 CA GLU B 56 -4.193 3.353 -9.580 1.00 0.00 C ATOM 1708 C GLU B 56 -4.744 3.946 -10.874 1.00 0.00 C ATOM 1709 O GLU B 56 -3.975 4.622 -11.589 1.00 0.00 O ATOM 1710 CB GLU B 56 -3.946 4.466 -8.558 1.00 0.00 C ATOM 1711 CG GLU B 56 -3.057 5.584 -9.072 1.00 0.00 C ATOM 1712 CD GLU B 56 -2.787 6.644 -8.021 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -3.759 7.259 -7.535 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -1.604 6.857 -7.685 1.00 0.00 O ATOM 1715 OXT GLU B 56 -5.940 3.729 -11.162 1.00 0.00 O ATOM 0 H GLU B 56 -2.111 3.064 -9.527 1.00 0.00 H new ATOM 0 HA GLU B 56 -4.931 2.661 -9.174 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -4.905 4.887 -8.255 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -3.491 4.034 -7.667 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -2.110 5.164 -9.411 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -3.528 6.048 -9.939 1.00 0.00 H new TER 1722 GLU B 56