USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=42 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 44 THR OG1 : rot 44:sc= 1.57 USER MOD Set 1.2: B 53 THR OG1 : rot 104:sc= 1.71! USER MOD Set 2.1: A 49 THR OG1 : rot -83:sc= 1.24 USER MOD Set 2.2: A 51 THR OG1 : rot 62:sc= 1.02 USER MOD Set 2.3: B 4 LYS NZ :NH3+ -165:sc= -3.18! (180deg=-3.65!) USER MOD Set 3.1: A 44 THR OG1 : rot 47:sc= 1.63 USER MOD Set 3.2: A 53 THR OG1 : rot 106:sc= 1.7 USER MOD Set 4.1: A 4 LYS NZ :NH3+ -159:sc= -3.18! (180deg=-3.66!) USER MOD Set 4.2: B 49 THR OG1 : rot -83:sc= 1.23 USER MOD Set 4.3: B 51 THR OG1 : rot 63:sc= 1.02 USER MOD Single : A 1 MET CE :methyl 165:sc= -0.73 (180deg=-1.7) USER MOD Single : A 1 MET N :NH3+ -116:sc= 0.0619 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.961! X(o=-0.96!,f=-1.2) USER MOD Single : A 3 TYR OH : rot -84:sc= 0.14 USER MOD Single : A 8 ASN : amide:sc= -0.375 K(o=-0.37,f=-2.7!) USER MOD Single : A 10 LYS NZ :NH3+ -141:sc= -2.67! (180deg=-5.52!) USER MOD Single : A 11 THR OG1 : rot -140:sc= -3.07! USER MOD Single : A 13 LYS NZ :NH3+ 132:sc= -2.71! (180deg=-5.58!) USER MOD Single : A 16 THR OG1 : rot 168:sc= -5.5! USER MOD Single : A 17 THR OG1 : rot 31:sc= 0.274 USER MOD Single : A 18 THR OG1 : rot 34:sc= 0.698 USER MOD Single : A 25 THR OG1 : rot -29:sc= -2.13! USER MOD Single : A 28 LYS NZ :NH3+ 165:sc= -0.0286 (180deg=-0.292) USER MOD Single : A 31 LYS NZ :NH3+ -147:sc= -4.21! (180deg=-8.02!) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.0057 F(o=-1.3,f=-0.0057) USER MOD Single : A 35 ASN : amide:sc= -3.28! C(o=-3.3!,f=-2.9!) USER MOD Single : A 37 ASN : amide:sc= -7! C(o=-7!,f=-7.7!) USER MOD Single : A 45 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 50 LYS NZ :NH3+ -172:sc=-0.000311 (180deg=-0.0835) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 164:sc= -0.697 (180deg=-1.69) USER MOD Single : B 1 MET N :NH3+ -111:sc= 0.0668 (180deg=0) USER MOD Single : B 2 GLN : amide:sc= -1.01 X(o=-1,f=-1.2) USER MOD Single : B 3 TYR OH : rot -84:sc= 0.133 USER MOD Single : B 8 ASN : amide:sc= -0.36 K(o=-0.36,f=-2.5!) USER MOD Single : B 10 LYS NZ :NH3+ -142:sc= -2.5! (180deg=-5.41!) USER MOD Single : B 11 THR OG1 : rot -140:sc= -3.05! USER MOD Single : B 13 LYS NZ :NH3+ 136:sc= -2.7! (180deg=-5.63!) USER MOD Single : B 16 THR OG1 : rot 160:sc= -5.57! USER MOD Single : B 17 THR OG1 : rot 30:sc= 0.33 USER MOD Single : B 18 THR OG1 : rot 34:sc= 0.699 USER MOD Single : B 25 THR OG1 : rot -26:sc= -2.16! USER MOD Single : B 28 LYS NZ :NH3+ 165:sc= -0.0507 (180deg=-0.315) USER MOD Single : B 31 LYS NZ :NH3+ -149:sc= -4.25! (180deg=-8.11!) USER MOD Single : B 32 GLN :FLIP amide:sc= -0.0065 F(o=-1.3,f=-0.0065) USER MOD Single : B 35 ASN : amide:sc= -3.3! C(o=-3.3!,f=-3.1!) USER MOD Single : B 37 ASN : amide:sc= -7.25! C(o=-7.3!,f=-7.6!) USER MOD Single : B 45 TYR OH : rot 180:sc= -0.989 USER MOD Single : B 50 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0836) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.017 -19.033 2.186 1.00 0.00 N ATOM 2 CA MET A 1 6.930 -18.181 1.382 1.00 0.00 C ATOM 3 C MET A 1 6.572 -16.704 1.521 1.00 0.00 C ATOM 4 O MET A 1 5.455 -16.359 1.909 1.00 0.00 O ATOM 5 CB MET A 1 6.837 -18.611 -0.085 1.00 0.00 C ATOM 6 CG MET A 1 7.724 -17.801 -1.016 1.00 0.00 C ATOM 7 SD MET A 1 7.593 -18.328 -2.734 1.00 0.00 S ATOM 8 CE MET A 1 8.716 -17.181 -3.528 1.00 0.00 C ATOM 0 H1 MET A 1 6.559 -19.515 2.931 1.00 0.00 H new ATOM 0 H2 MET A 1 5.282 -18.440 2.621 1.00 0.00 H new ATOM 0 H3 MET A 1 5.570 -19.741 1.569 1.00 0.00 H new ATOM 0 HA MET A 1 7.949 -18.308 1.747 1.00 0.00 H new ATOM 0 HB2 MET A 1 7.108 -19.664 -0.164 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.802 -18.523 -0.415 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.455 -16.747 -0.942 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.761 -17.889 -0.691 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.951 -17.537 -4.531 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.248 -16.199 -3.592 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.634 -17.108 -2.945 1.00 0.00 H new ATOM 20 N GLN A 2 7.523 -15.839 1.189 1.00 0.00 N ATOM 21 CA GLN A 2 7.312 -14.400 1.264 1.00 0.00 C ATOM 22 C GLN A 2 7.149 -13.816 -0.135 1.00 0.00 C ATOM 23 O GLN A 2 7.791 -14.269 -1.082 1.00 0.00 O ATOM 24 CB GLN A 2 8.485 -13.726 1.980 1.00 0.00 C ATOM 25 CG GLN A 2 8.338 -12.217 2.105 1.00 0.00 C ATOM 26 CD GLN A 2 9.511 -11.545 2.809 1.00 0.00 C ATOM 27 OE1 GLN A 2 9.522 -10.326 2.978 1.00 0.00 O ATOM 28 NE2 GLN A 2 10.505 -12.328 3.227 1.00 0.00 N ATOM 0 H GLN A 2 8.451 -16.111 0.864 1.00 0.00 H new ATOM 0 HA GLN A 2 6.401 -14.213 1.832 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.587 -14.156 2.976 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.405 -13.949 1.441 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.229 -11.787 1.109 1.00 0.00 H new ATOM 0 HG3 GLN A 2 7.421 -11.994 2.651 1.00 0.00 H new ATOM 0 HE21 GLN A 2 10.462 -13.335 3.070 1.00 0.00 H new ATOM 0 HE22 GLN A 2 11.309 -11.920 3.704 1.00 0.00 H new ATOM 37 N TYR A 3 6.285 -12.815 -0.263 1.00 0.00 N ATOM 38 CA TYR A 3 6.045 -12.186 -1.554 1.00 0.00 C ATOM 39 C TYR A 3 6.092 -10.669 -1.435 1.00 0.00 C ATOM 40 O TYR A 3 5.730 -10.107 -0.402 1.00 0.00 O ATOM 41 CB TYR A 3 4.693 -12.627 -2.115 1.00 0.00 C ATOM 42 CG TYR A 3 4.580 -14.121 -2.316 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.591 -14.989 -1.231 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.465 -14.663 -3.590 1.00 0.00 C ATOM 45 CE1 TYR A 3 4.491 -16.357 -1.411 1.00 0.00 C ATOM 46 CE2 TYR A 3 4.363 -16.029 -3.778 1.00 0.00 C ATOM 47 CZ TYR A 3 4.376 -16.870 -2.686 1.00 0.00 C ATOM 48 OH TYR A 3 4.276 -18.230 -2.868 1.00 0.00 O ATOM 0 H TYR A 3 5.743 -12.424 0.507 1.00 0.00 H new ATOM 0 HA TYR A 3 6.833 -12.502 -2.238 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.904 -12.299 -1.438 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.524 -12.127 -3.068 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.679 -14.589 -0.232 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.455 -14.007 -4.448 1.00 0.00 H new ATOM 0 HE1 TYR A 3 4.503 -17.019 -0.558 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.274 -16.435 -4.775 1.00 0.00 H new ATOM 0 HH TYR A 3 5.173 -18.625 -2.881 1.00 0.00 H new ATOM 58 N LYS A 4 6.531 -10.010 -2.500 1.00 0.00 N ATOM 59 CA LYS A 4 6.611 -8.556 -2.511 1.00 0.00 C ATOM 60 C LYS A 4 5.510 -7.983 -3.391 1.00 0.00 C ATOM 61 O LYS A 4 5.012 -8.656 -4.290 1.00 0.00 O ATOM 62 CB LYS A 4 7.985 -8.096 -3.008 1.00 0.00 C ATOM 63 CG LYS A 4 8.182 -6.589 -2.947 1.00 0.00 C ATOM 64 CD LYS A 4 9.594 -6.192 -3.353 1.00 0.00 C ATOM 65 CE LYS A 4 9.898 -6.581 -4.790 1.00 0.00 C ATOM 66 NZ LYS A 4 9.049 -5.837 -5.762 1.00 0.00 N ATOM 0 H LYS A 4 6.836 -10.458 -3.364 1.00 0.00 H new ATOM 0 HA LYS A 4 6.476 -8.190 -1.493 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.758 -8.579 -2.411 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.121 -8.430 -4.037 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.463 -6.101 -3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.981 -6.236 -1.936 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.717 -5.116 -3.234 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.312 -6.671 -2.687 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.949 -6.386 -5.004 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.740 -7.652 -4.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.017 -6.355 -6.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.085 -5.745 -5.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.451 -4.891 -5.921 1.00 0.00 H new ATOM 80 N VAL A 5 5.120 -6.746 -3.125 1.00 0.00 N ATOM 81 CA VAL A 5 4.067 -6.110 -3.900 1.00 0.00 C ATOM 82 C VAL A 5 4.418 -4.666 -4.235 1.00 0.00 C ATOM 83 O VAL A 5 4.758 -3.872 -3.360 1.00 0.00 O ATOM 84 CB VAL A 5 2.719 -6.147 -3.151 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.614 -5.524 -3.992 1.00 0.00 C ATOM 86 CG2 VAL A 5 2.365 -7.577 -2.766 1.00 0.00 C ATOM 0 H VAL A 5 5.514 -6.166 -2.384 1.00 0.00 H new ATOM 0 HA VAL A 5 3.973 -6.675 -4.827 1.00 0.00 H new ATOM 0 HB VAL A 5 2.817 -5.559 -2.238 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.673 -5.562 -3.443 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.865 -4.486 -4.211 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.511 -6.077 -4.926 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.411 -7.586 -2.238 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.288 -8.188 -3.666 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.142 -7.982 -2.118 1.00 0.00 H new ATOM 96 N ILE A 6 4.321 -4.336 -5.515 1.00 0.00 N ATOM 97 CA ILE A 6 4.611 -2.992 -5.985 1.00 0.00 C ATOM 98 C ILE A 6 3.328 -2.176 -6.075 1.00 0.00 C ATOM 99 O ILE A 6 2.452 -2.465 -6.888 1.00 0.00 O ATOM 100 CB ILE A 6 5.305 -3.018 -7.365 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.698 -3.637 -7.247 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.391 -1.617 -7.958 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.425 -3.747 -8.568 1.00 0.00 C ATOM 0 H ILE A 6 4.042 -4.986 -6.249 1.00 0.00 H new ATOM 0 HA ILE A 6 5.288 -2.528 -5.267 1.00 0.00 H new ATOM 0 HB ILE A 6 4.706 -3.632 -8.037 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.296 -3.037 -6.561 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.609 -4.630 -6.807 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.884 -1.663 -8.929 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.387 -1.211 -8.079 1.00 0.00 H new ATOM 0 HG23 ILE A 6 5.964 -0.974 -7.290 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.406 -4.195 -8.407 1.00 0.00 H new ATOM 0 HD12 ILE A 6 6.848 -4.372 -9.250 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.546 -2.754 -9.001 1.00 0.00 H new ATOM 115 N LEU A 7 3.226 -1.155 -5.238 1.00 0.00 N ATOM 116 CA LEU A 7 2.051 -0.298 -5.231 1.00 0.00 C ATOM 117 C LEU A 7 2.318 0.911 -6.121 1.00 0.00 C ATOM 118 O LEU A 7 2.780 1.952 -5.656 1.00 0.00 O ATOM 119 CB LEU A 7 1.732 0.141 -3.796 1.00 0.00 C ATOM 120 CG LEU A 7 1.914 -0.943 -2.735 1.00 0.00 C ATOM 121 CD1 LEU A 7 1.472 -0.428 -1.373 1.00 0.00 C ATOM 122 CD2 LEU A 7 1.144 -2.197 -3.119 1.00 0.00 C ATOM 0 H LEU A 7 3.941 -0.900 -4.556 1.00 0.00 H new ATOM 0 HA LEU A 7 1.189 -0.843 -5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.368 0.989 -3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.701 0.494 -3.760 1.00 0.00 H new ATOM 0 HG LEU A 7 2.971 -1.201 -2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.607 -1.211 -0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.071 0.441 -1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.420 -0.144 -1.415 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.284 -2.959 -2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.083 -1.961 -3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.511 -2.571 -4.074 1.00 0.00 H new ATOM 134 N ASN A 8 2.069 0.738 -7.417 1.00 0.00 N ATOM 135 CA ASN A 8 2.324 1.784 -8.401 1.00 0.00 C ATOM 136 C ASN A 8 1.081 2.618 -8.704 1.00 0.00 C ATOM 137 O ASN A 8 0.158 2.159 -9.377 1.00 0.00 O ATOM 138 CB ASN A 8 2.832 1.135 -9.691 1.00 0.00 C ATOM 139 CG ASN A 8 3.390 2.138 -10.676 1.00 0.00 C ATOM 140 OD1 ASN A 8 2.734 3.118 -11.028 1.00 0.00 O ATOM 141 ND2 ASN A 8 4.607 1.882 -11.143 1.00 0.00 N ATOM 0 H ASN A 8 1.689 -0.123 -7.811 1.00 0.00 H new ATOM 0 HA ASN A 8 3.071 2.460 -7.985 1.00 0.00 H new ATOM 0 HB2 ASN A 8 3.605 0.407 -9.445 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.016 0.587 -10.162 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.035 2.511 -11.823 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.113 1.057 -10.822 1.00 0.00 H new ATOM 148 N GLY A 9 1.060 3.849 -8.211 1.00 0.00 N ATOM 149 CA GLY A 9 -0.074 4.717 -8.461 1.00 0.00 C ATOM 150 C GLY A 9 0.297 5.923 -9.294 1.00 0.00 C ATOM 151 O GLY A 9 1.402 6.005 -9.831 1.00 0.00 O ATOM 0 H GLY A 9 1.803 4.260 -7.646 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.855 4.153 -8.971 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.490 5.050 -7.510 1.00 0.00 H new ATOM 155 N LYS A 10 -0.632 6.861 -9.397 1.00 0.00 N ATOM 156 CA LYS A 10 -0.415 8.076 -10.163 1.00 0.00 C ATOM 157 C LYS A 10 0.481 9.039 -9.392 1.00 0.00 C ATOM 158 O LYS A 10 1.526 9.466 -9.884 1.00 0.00 O ATOM 159 CB LYS A 10 -1.758 8.740 -10.468 1.00 0.00 C ATOM 160 CG LYS A 10 -2.742 7.814 -11.167 1.00 0.00 C ATOM 161 CD LYS A 10 -4.151 8.394 -11.201 1.00 0.00 C ATOM 162 CE LYS A 10 -4.230 9.666 -12.032 1.00 0.00 C ATOM 163 NZ LYS A 10 -3.528 10.810 -11.385 1.00 0.00 N ATOM 0 H LYS A 10 -1.550 6.802 -8.956 1.00 0.00 H new ATOM 0 HA LYS A 10 0.080 7.818 -11.100 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.201 9.093 -9.537 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.588 9.617 -11.093 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.403 7.628 -12.186 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.759 6.851 -10.656 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.837 7.652 -11.609 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.479 8.606 -10.183 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.793 9.483 -13.014 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.276 9.928 -12.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.077 11.681 -11.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.433 10.627 -10.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.584 10.921 -11.806 1.00 0.00 H new ATOM 177 N THR A 11 0.058 9.376 -8.177 1.00 0.00 N ATOM 178 CA THR A 11 0.796 10.287 -7.323 1.00 0.00 C ATOM 179 C THR A 11 1.460 9.545 -6.173 1.00 0.00 C ATOM 180 O THR A 11 2.019 10.161 -5.266 1.00 0.00 O ATOM 181 CB THR A 11 -0.163 11.334 -6.763 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.391 10.733 -6.392 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.473 12.451 -7.731 1.00 0.00 C ATOM 0 H THR A 11 -0.805 9.024 -7.762 1.00 0.00 H new ATOM 0 HA THR A 11 1.575 10.765 -7.917 1.00 0.00 H new ATOM 0 HB THR A 11 0.350 11.762 -5.901 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.133 11.323 -6.643 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.160 13.157 -7.264 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.449 12.966 -8.000 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.932 12.037 -8.629 1.00 0.00 H new ATOM 191 N LEU A 12 1.391 8.219 -6.202 1.00 0.00 N ATOM 192 CA LEU A 12 1.980 7.416 -5.147 1.00 0.00 C ATOM 193 C LEU A 12 2.695 6.192 -5.710 1.00 0.00 C ATOM 194 O LEU A 12 2.203 5.531 -6.622 1.00 0.00 O ATOM 195 CB LEU A 12 0.901 6.994 -4.149 1.00 0.00 C ATOM 196 CG LEU A 12 1.396 6.143 -2.986 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.601 6.804 -2.343 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.288 5.930 -1.966 1.00 0.00 C ATOM 0 H LEU A 12 0.935 7.684 -6.941 1.00 0.00 H new ATOM 0 HA LEU A 12 2.725 8.024 -4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.428 7.890 -3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.130 6.439 -4.684 1.00 0.00 H new ATOM 0 HG LEU A 12 1.693 5.165 -3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.951 6.192 -1.512 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.397 6.905 -3.080 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.321 7.791 -1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.663 5.320 -1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.042 6.895 -1.581 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.551 5.422 -2.441 1.00 0.00 H new ATOM 210 N LYS A 13 3.861 5.901 -5.145 1.00 0.00 N ATOM 211 CA LYS A 13 4.659 4.757 -5.569 1.00 0.00 C ATOM 212 C LYS A 13 5.383 4.142 -4.375 1.00 0.00 C ATOM 213 O LYS A 13 5.782 4.853 -3.453 1.00 0.00 O ATOM 214 CB LYS A 13 5.672 5.183 -6.633 1.00 0.00 C ATOM 215 CG LYS A 13 5.033 5.749 -7.892 1.00 0.00 C ATOM 216 CD LYS A 13 6.067 6.079 -8.960 1.00 0.00 C ATOM 217 CE LYS A 13 6.974 7.230 -8.546 1.00 0.00 C ATOM 218 NZ LYS A 13 7.927 6.842 -7.468 1.00 0.00 N ATOM 0 H LYS A 13 4.276 6.445 -4.388 1.00 0.00 H new ATOM 0 HA LYS A 13 3.991 4.009 -5.997 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.340 5.931 -6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.286 4.324 -6.902 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.318 5.029 -8.290 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.472 6.649 -7.640 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.673 5.196 -9.162 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.558 6.336 -9.889 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.534 7.578 -9.414 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.363 8.066 -8.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.885 7.156 -7.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.642 7.291 -6.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.920 5.808 -7.354 1.00 0.00 H new ATOM 232 N GLY A 14 5.552 2.824 -4.392 1.00 0.00 N ATOM 233 CA GLY A 14 6.232 2.161 -3.295 1.00 0.00 C ATOM 234 C GLY A 14 6.281 0.655 -3.444 1.00 0.00 C ATOM 235 O GLY A 14 6.007 0.117 -4.517 1.00 0.00 O ATOM 0 H GLY A 14 5.233 2.207 -5.139 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.249 2.545 -3.222 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.729 2.411 -2.361 1.00 0.00 H new ATOM 239 N GLU A 15 6.634 -0.026 -2.358 1.00 0.00 N ATOM 240 CA GLU A 15 6.724 -1.479 -2.354 1.00 0.00 C ATOM 241 C GLU A 15 6.334 -2.038 -0.989 1.00 0.00 C ATOM 242 O GLU A 15 6.407 -1.340 0.023 1.00 0.00 O ATOM 243 CB GLU A 15 8.140 -1.927 -2.722 1.00 0.00 C ATOM 244 CG GLU A 15 8.585 -1.466 -4.100 1.00 0.00 C ATOM 245 CD GLU A 15 9.990 -1.923 -4.447 1.00 0.00 C ATOM 246 OE1 GLU A 15 10.619 -2.601 -3.607 1.00 0.00 O ATOM 247 OE2 GLU A 15 10.461 -1.602 -5.559 1.00 0.00 O ATOM 0 H GLU A 15 6.863 0.410 -1.465 1.00 0.00 H new ATOM 0 HA GLU A 15 6.029 -1.866 -3.099 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.838 -1.545 -1.977 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.191 -3.015 -2.678 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.889 -1.846 -4.848 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.540 -0.378 -4.146 1.00 0.00 H new ATOM 254 N THR A 16 5.912 -3.296 -0.971 1.00 0.00 N ATOM 255 CA THR A 16 5.498 -3.954 0.263 1.00 0.00 C ATOM 256 C THR A 16 5.743 -5.462 0.187 1.00 0.00 C ATOM 257 O THR A 16 6.058 -5.989 -0.878 1.00 0.00 O ATOM 258 CB THR A 16 4.024 -3.655 0.543 1.00 0.00 C ATOM 259 OG1 THR A 16 3.487 -4.604 1.428 1.00 0.00 O ATOM 260 CG2 THR A 16 3.160 -3.645 -0.699 1.00 0.00 C ATOM 0 H THR A 16 5.847 -3.884 -1.802 1.00 0.00 H new ATOM 0 HA THR A 16 6.097 -3.563 1.085 1.00 0.00 H new ATOM 0 HB THR A 16 4.012 -2.655 0.975 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.613 -4.296 1.747 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.128 -3.426 -0.423 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.521 -2.881 -1.387 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.207 -4.621 -1.183 1.00 0.00 H new ATOM 268 N THR A 17 5.618 -6.154 1.323 1.00 0.00 N ATOM 269 CA THR A 17 5.852 -7.601 1.356 1.00 0.00 C ATOM 270 C THR A 17 4.899 -8.340 2.300 1.00 0.00 C ATOM 271 O THR A 17 4.903 -8.117 3.512 1.00 0.00 O ATOM 272 CB THR A 17 7.294 -7.888 1.770 1.00 0.00 C ATOM 273 OG1 THR A 17 7.589 -7.280 3.014 1.00 0.00 O ATOM 274 CG2 THR A 17 8.317 -7.402 0.765 1.00 0.00 C ATOM 0 H THR A 17 5.360 -5.743 2.220 1.00 0.00 H new ATOM 0 HA THR A 17 5.663 -7.970 0.348 1.00 0.00 H new ATOM 0 HB THR A 17 7.364 -8.974 1.835 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.777 -7.245 3.562 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.319 -7.639 1.123 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.148 -7.894 -0.193 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.221 -6.323 0.641 1.00 0.00 H new ATOM 282 N THR A 18 4.101 -9.242 1.728 1.00 0.00 N ATOM 283 CA THR A 18 3.153 -10.056 2.492 1.00 0.00 C ATOM 284 C THR A 18 3.638 -11.504 2.533 1.00 0.00 C ATOM 285 O THR A 18 4.235 -11.991 1.572 1.00 0.00 O ATOM 286 CB THR A 18 1.766 -9.996 1.847 1.00 0.00 C ATOM 287 OG1 THR A 18 0.815 -10.668 2.652 1.00 0.00 O ATOM 288 CG2 THR A 18 1.719 -10.615 0.467 1.00 0.00 C ATOM 0 H THR A 18 4.093 -9.429 0.725 1.00 0.00 H new ATOM 0 HA THR A 18 3.088 -9.665 3.507 1.00 0.00 H new ATOM 0 HB THR A 18 1.532 -8.935 1.757 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.042 -10.546 3.597 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.707 -10.539 0.068 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.410 -10.088 -0.192 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.006 -11.665 0.529 1.00 0.00 H new ATOM 296 N GLU A 19 3.380 -12.194 3.638 1.00 0.00 N ATOM 297 CA GLU A 19 3.795 -13.586 3.777 1.00 0.00 C ATOM 298 C GLU A 19 2.587 -14.510 3.648 1.00 0.00 C ATOM 299 O GLU A 19 1.676 -14.466 4.475 1.00 0.00 O ATOM 300 CB GLU A 19 4.488 -13.798 5.127 1.00 0.00 C ATOM 301 CG GLU A 19 5.125 -15.171 5.292 1.00 0.00 C ATOM 302 CD GLU A 19 4.107 -16.293 5.360 1.00 0.00 C ATOM 303 OE1 GLU A 19 3.262 -16.274 6.280 1.00 0.00 O ATOM 304 OE2 GLU A 19 4.155 -17.192 4.494 1.00 0.00 O ATOM 0 H GLU A 19 2.888 -11.815 4.447 1.00 0.00 H new ATOM 0 HA GLU A 19 4.502 -13.824 2.982 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.257 -13.036 5.252 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.760 -13.650 5.924 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.803 -15.353 4.458 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.727 -15.179 6.200 1.00 0.00 H new ATOM 311 N ALA A 20 2.576 -15.343 2.606 1.00 0.00 N ATOM 312 CA ALA A 20 1.464 -16.260 2.386 1.00 0.00 C ATOM 313 C ALA A 20 1.933 -17.584 1.785 1.00 0.00 C ATOM 314 O ALA A 20 2.923 -17.639 1.057 1.00 0.00 O ATOM 315 CB ALA A 20 0.423 -15.612 1.487 1.00 0.00 C ATOM 0 H ALA A 20 3.318 -15.399 1.909 1.00 0.00 H new ATOM 0 HA ALA A 20 1.016 -16.479 3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.403 -16.305 1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.049 -14.703 1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.876 -15.362 0.527 1.00 0.00 H new ATOM 321 N VAL A 21 1.214 -18.651 2.122 1.00 0.00 N ATOM 322 CA VAL A 21 1.542 -19.996 1.651 1.00 0.00 C ATOM 323 C VAL A 21 1.730 -20.041 0.134 1.00 0.00 C ATOM 324 O VAL A 21 2.445 -20.899 -0.384 1.00 0.00 O ATOM 325 CB VAL A 21 0.443 -21.000 2.042 1.00 0.00 C ATOM 326 CG1 VAL A 21 0.869 -22.421 1.708 1.00 0.00 C ATOM 327 CG2 VAL A 21 0.095 -20.865 3.516 1.00 0.00 C ATOM 0 H VAL A 21 0.393 -18.610 2.725 1.00 0.00 H new ATOM 0 HA VAL A 21 2.482 -20.270 2.130 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.452 -20.774 1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.078 -23.114 1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.055 -22.503 0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.780 -22.666 2.255 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.684 -21.583 3.773 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.982 -21.060 4.119 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.263 -19.855 3.714 1.00 0.00 H new ATOM 337 N ASP A 22 1.096 -19.112 -0.571 1.00 0.00 N ATOM 338 CA ASP A 22 1.214 -19.058 -2.027 1.00 0.00 C ATOM 339 C ASP A 22 0.925 -17.658 -2.557 1.00 0.00 C ATOM 340 O ASP A 22 0.582 -16.753 -1.797 1.00 0.00 O ATOM 341 CB ASP A 22 0.277 -20.079 -2.680 1.00 0.00 C ATOM 342 CG ASP A 22 -1.185 -19.782 -2.419 1.00 0.00 C ATOM 343 OD1 ASP A 22 -1.667 -18.729 -2.883 1.00 0.00 O ATOM 344 OD2 ASP A 22 -1.849 -20.602 -1.751 1.00 0.00 O ATOM 0 H ASP A 22 0.500 -18.391 -0.165 1.00 0.00 H new ATOM 0 HA ASP A 22 2.243 -19.309 -2.286 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.454 -20.093 -3.755 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.514 -21.075 -2.305 1.00 0.00 H new ATOM 349 N ALA A 23 1.076 -17.484 -3.867 1.00 0.00 N ATOM 350 CA ALA A 23 0.840 -16.192 -4.499 1.00 0.00 C ATOM 351 C ALA A 23 -0.593 -15.726 -4.291 1.00 0.00 C ATOM 352 O ALA A 23 -0.838 -14.555 -3.994 1.00 0.00 O ATOM 353 CB ALA A 23 1.168 -16.260 -5.982 1.00 0.00 C ATOM 0 H ALA A 23 1.361 -18.222 -4.511 1.00 0.00 H new ATOM 0 HA ALA A 23 1.498 -15.463 -4.026 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.987 -15.288 -6.440 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.216 -16.532 -6.111 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.537 -17.009 -6.460 1.00 0.00 H new ATOM 359 N ALA A 24 -1.541 -16.641 -4.438 1.00 0.00 N ATOM 360 CA ALA A 24 -2.946 -16.311 -4.254 1.00 0.00 C ATOM 361 C ALA A 24 -3.189 -15.851 -2.825 1.00 0.00 C ATOM 362 O ALA A 24 -3.691 -14.752 -2.594 1.00 0.00 O ATOM 363 CB ALA A 24 -3.828 -17.502 -4.594 1.00 0.00 C ATOM 0 H ALA A 24 -1.363 -17.615 -4.683 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.206 -15.498 -4.932 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.874 -17.233 -4.449 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.667 -17.789 -5.633 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.575 -18.339 -3.943 1.00 0.00 H new ATOM 369 N THR A 25 -2.798 -16.684 -1.865 1.00 0.00 N ATOM 370 CA THR A 25 -2.943 -16.343 -0.463 1.00 0.00 C ATOM 371 C THR A 25 -2.349 -14.963 -0.222 1.00 0.00 C ATOM 372 O THR A 25 -2.964 -14.110 0.416 1.00 0.00 O ATOM 373 CB THR A 25 -2.246 -17.388 0.407 1.00 0.00 C ATOM 374 OG1 THR A 25 -0.884 -17.514 0.042 1.00 0.00 O ATOM 375 CG2 THR A 25 -2.875 -18.761 0.315 1.00 0.00 C ATOM 0 H THR A 25 -2.379 -17.598 -2.037 1.00 0.00 H new ATOM 0 HA THR A 25 -4.000 -16.329 -0.196 1.00 0.00 H new ATOM 0 HB THR A 25 -2.350 -17.028 1.430 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.778 -17.297 -0.908 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.331 -19.454 0.957 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.915 -18.707 0.637 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.833 -19.112 -0.716 1.00 0.00 H new ATOM 383 N ALA A 26 -1.159 -14.744 -0.778 1.00 0.00 N ATOM 384 CA ALA A 26 -0.498 -13.456 -0.663 1.00 0.00 C ATOM 385 C ALA A 26 -1.386 -12.385 -1.276 1.00 0.00 C ATOM 386 O ALA A 26 -1.714 -11.389 -0.631 1.00 0.00 O ATOM 387 CB ALA A 26 0.861 -13.488 -1.349 1.00 0.00 C ATOM 0 H ALA A 26 -0.639 -15.442 -1.310 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.332 -13.226 0.390 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.341 -12.514 -1.252 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.487 -14.249 -0.882 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.730 -13.724 -2.405 1.00 0.00 H new ATOM 393 N GLU A 27 -1.792 -12.608 -2.527 1.00 0.00 N ATOM 394 CA GLU A 27 -2.664 -11.677 -3.230 1.00 0.00 C ATOM 395 C GLU A 27 -3.890 -11.348 -2.387 1.00 0.00 C ATOM 396 O GLU A 27 -4.253 -10.183 -2.229 1.00 0.00 O ATOM 397 CB GLU A 27 -3.098 -12.273 -4.570 1.00 0.00 C ATOM 398 CG GLU A 27 -4.015 -11.365 -5.373 1.00 0.00 C ATOM 399 CD GLU A 27 -4.437 -11.983 -6.691 1.00 0.00 C ATOM 400 OE1 GLU A 27 -3.550 -12.286 -7.516 1.00 0.00 O ATOM 401 OE2 GLU A 27 -5.656 -12.163 -6.898 1.00 0.00 O ATOM 0 H GLU A 27 -1.528 -13.429 -3.072 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.109 -10.756 -3.411 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.211 -12.496 -5.163 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.606 -13.220 -4.389 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.902 -11.136 -4.782 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.507 -10.420 -5.565 1.00 0.00 H new ATOM 408 N LYS A 28 -4.521 -12.385 -1.842 1.00 0.00 N ATOM 409 CA LYS A 28 -5.702 -12.208 -1.008 1.00 0.00 C ATOM 410 C LYS A 28 -5.361 -11.405 0.237 1.00 0.00 C ATOM 411 O LYS A 28 -6.084 -10.482 0.611 1.00 0.00 O ATOM 412 CB LYS A 28 -6.285 -13.564 -0.610 1.00 0.00 C ATOM 413 CG LYS A 28 -6.746 -14.393 -1.795 1.00 0.00 C ATOM 414 CD LYS A 28 -7.745 -13.627 -2.643 1.00 0.00 C ATOM 415 CE LYS A 28 -8.232 -14.459 -3.819 1.00 0.00 C ATOM 416 NZ LYS A 28 -8.890 -15.720 -3.376 1.00 0.00 N ATOM 0 H LYS A 28 -4.233 -13.356 -1.964 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.447 -11.661 -1.585 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.534 -14.125 -0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.128 -13.406 0.063 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.886 -14.672 -2.404 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.200 -15.319 -1.441 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.595 -13.332 -2.028 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.284 -12.710 -3.011 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.934 -13.873 -4.412 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.389 -14.698 -4.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.425 -16.129 -4.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.166 -16.397 -3.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.539 -15.515 -2.589 1.00 0.00 H new ATOM 430 N VAL A 29 -4.250 -11.756 0.871 1.00 0.00 N ATOM 431 CA VAL A 29 -3.809 -11.060 2.067 1.00 0.00 C ATOM 432 C VAL A 29 -3.594 -9.585 1.773 1.00 0.00 C ATOM 433 O VAL A 29 -3.958 -8.721 2.572 1.00 0.00 O ATOM 434 CB VAL A 29 -2.509 -11.670 2.626 1.00 0.00 C ATOM 435 CG1 VAL A 29 -2.029 -10.900 3.845 1.00 0.00 C ATOM 436 CG2 VAL A 29 -2.711 -13.139 2.964 1.00 0.00 C ATOM 0 H VAL A 29 -3.640 -12.518 0.575 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.591 -11.170 2.818 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.741 -11.596 1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.110 -11.350 4.221 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.839 -9.863 3.569 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.794 -10.934 4.621 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.782 -13.553 3.357 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.497 -13.235 3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.998 -13.683 2.064 1.00 0.00 H new ATOM 446 N VAL A 30 -3.028 -9.300 0.610 1.00 0.00 N ATOM 447 CA VAL A 30 -2.801 -7.926 0.204 1.00 0.00 C ATOM 448 C VAL A 30 -4.147 -7.230 0.026 1.00 0.00 C ATOM 449 O VAL A 30 -4.366 -6.137 0.540 1.00 0.00 O ATOM 450 CB VAL A 30 -1.994 -7.850 -1.104 1.00 0.00 C ATOM 451 CG1 VAL A 30 -1.726 -6.403 -1.493 1.00 0.00 C ATOM 452 CG2 VAL A 30 -0.688 -8.619 -0.969 1.00 0.00 C ATOM 0 H VAL A 30 -2.720 -10.000 -0.065 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.220 -7.427 0.980 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.585 -8.309 -1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.154 -6.376 -2.421 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.673 -5.883 -1.635 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.158 -5.913 -0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.130 -8.555 -1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.095 -8.190 -0.162 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.903 -9.664 -0.746 1.00 0.00 H new ATOM 462 N LYS A 31 -5.061 -7.885 -0.694 1.00 0.00 N ATOM 463 CA LYS A 31 -6.394 -7.329 -0.912 1.00 0.00 C ATOM 464 C LYS A 31 -6.992 -6.863 0.403 1.00 0.00 C ATOM 465 O LYS A 31 -7.450 -5.729 0.524 1.00 0.00 O ATOM 466 CB LYS A 31 -7.324 -8.362 -1.544 1.00 0.00 C ATOM 467 CG LYS A 31 -6.976 -8.701 -2.981 1.00 0.00 C ATOM 468 CD LYS A 31 -7.900 -9.768 -3.549 1.00 0.00 C ATOM 469 CE LYS A 31 -9.306 -9.234 -3.789 1.00 0.00 C ATOM 470 NZ LYS A 31 -10.040 -8.977 -2.519 1.00 0.00 N ATOM 0 H LYS A 31 -4.903 -8.793 -1.131 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.292 -6.482 -1.591 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.297 -9.274 -0.948 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.347 -7.987 -1.506 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.041 -7.801 -3.593 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.944 -9.048 -3.033 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.489 -10.142 -4.487 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.945 -10.612 -2.861 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.248 -8.310 -4.365 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.866 -9.950 -4.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -11.053 -9.163 -2.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.673 -9.602 -1.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.907 -7.985 -2.236 1.00 0.00 H new ATOM 484 N GLN A 32 -6.972 -7.752 1.389 1.00 0.00 N ATOM 485 CA GLN A 32 -7.503 -7.435 2.702 1.00 0.00 C ATOM 486 C GLN A 32 -6.746 -6.257 3.297 1.00 0.00 C ATOM 487 O GLN A 32 -7.328 -5.389 3.946 1.00 0.00 O ATOM 488 CB GLN A 32 -7.419 -8.658 3.610 1.00 0.00 C ATOM 489 CG GLN A 32 -7.943 -8.419 5.018 1.00 0.00 C ATOM 490 CD GLN A 32 -8.025 -9.688 5.858 1.00 0.00 C ATOM 491 OE1 GLN A 32 -7.794 -10.847 5.241 1.00 0.00 O flip ATOM 492 NE2 GLN A 32 -8.309 -9.627 7.054 1.00 0.00 N flip ATOM 0 H GLN A 32 -6.594 -8.695 1.301 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.552 -7.154 2.609 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.982 -9.474 3.157 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.380 -8.983 3.670 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.296 -7.701 5.521 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -8.933 -7.968 4.957 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.479 -8.722 7.492 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.374 -10.482 7.607 1.00 0.00 H new ATOM 501 N PHE A 33 -5.440 -6.225 3.042 1.00 0.00 N ATOM 502 CA PHE A 33 -4.584 -5.146 3.519 1.00 0.00 C ATOM 503 C PHE A 33 -5.178 -3.796 3.115 1.00 0.00 C ATOM 504 O PHE A 33 -5.455 -2.944 3.957 1.00 0.00 O ATOM 505 CB PHE A 33 -3.177 -5.322 2.930 1.00 0.00 C ATOM 506 CG PHE A 33 -2.156 -4.376 3.481 1.00 0.00 C ATOM 507 CD1 PHE A 33 -1.682 -4.534 4.772 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.667 -3.329 2.711 1.00 0.00 C ATOM 509 CE1 PHE A 33 -0.744 -3.665 5.287 1.00 0.00 C ATOM 510 CE2 PHE A 33 -0.727 -2.460 3.225 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.267 -2.630 4.516 1.00 0.00 C ATOM 0 H PHE A 33 -4.951 -6.940 2.504 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.518 -5.177 4.607 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.845 -6.344 3.113 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.229 -5.192 1.849 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.051 -5.346 5.382 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.026 -3.194 1.701 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.383 -3.797 6.296 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.352 -1.649 2.619 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.468 -1.950 4.921 1.00 0.00 H new ATOM 521 N PHE A 34 -5.404 -3.639 1.817 1.00 0.00 N ATOM 522 CA PHE A 34 -6.001 -2.420 1.278 1.00 0.00 C ATOM 523 C PHE A 34 -7.472 -2.363 1.643 1.00 0.00 C ATOM 524 O PHE A 34 -8.014 -1.297 1.942 1.00 0.00 O ATOM 525 CB PHE A 34 -5.790 -2.354 -0.228 1.00 0.00 C ATOM 526 CG PHE A 34 -4.337 -2.375 -0.571 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.459 -1.532 0.091 1.00 0.00 C ATOM 528 CD2 PHE A 34 -3.840 -3.247 -1.517 1.00 0.00 C ATOM 529 CE1 PHE A 34 -2.112 -1.561 -0.186 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.491 -3.279 -1.805 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.627 -2.433 -1.135 1.00 0.00 C ATOM 0 H PHE A 34 -5.182 -4.343 1.113 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.513 -1.550 1.716 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.291 -3.196 -0.705 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.246 -1.446 -0.622 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.837 -0.844 0.833 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.514 -3.912 -2.038 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.437 -0.902 0.339 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.112 -3.962 -2.551 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.570 -2.456 -1.356 1.00 0.00 H new ATOM 541 N ASN A 35 -8.104 -3.526 1.647 1.00 0.00 N ATOM 542 CA ASN A 35 -9.507 -3.640 2.009 1.00 0.00 C ATOM 543 C ASN A 35 -9.756 -2.920 3.331 1.00 0.00 C ATOM 544 O ASN A 35 -10.761 -2.234 3.511 1.00 0.00 O ATOM 545 CB ASN A 35 -9.871 -5.118 2.159 1.00 0.00 C ATOM 546 CG ASN A 35 -11.361 -5.347 2.265 1.00 0.00 C ATOM 547 OD1 ASN A 35 -12.037 -4.772 3.119 1.00 0.00 O ATOM 548 ND2 ASN A 35 -11.875 -6.205 1.400 1.00 0.00 N ATOM 0 H ASN A 35 -7.662 -4.412 1.401 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.121 -3.187 1.230 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.483 -5.671 1.304 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.382 -5.519 3.047 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.873 -6.415 1.422 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.274 -6.656 0.711 1.00 0.00 H new ATOM 555 N ASP A 36 -8.814 -3.101 4.248 1.00 0.00 N ATOM 556 CA ASP A 36 -8.888 -2.493 5.572 1.00 0.00 C ATOM 557 C ASP A 36 -8.130 -1.166 5.659 1.00 0.00 C ATOM 558 O ASP A 36 -8.432 -0.340 6.519 1.00 0.00 O ATOM 559 CB ASP A 36 -8.360 -3.464 6.630 1.00 0.00 C ATOM 560 CG ASP A 36 -9.151 -4.757 6.677 1.00 0.00 C ATOM 561 OD1 ASP A 36 -10.112 -4.897 5.890 1.00 0.00 O ATOM 562 OD2 ASP A 36 -8.808 -5.632 7.500 1.00 0.00 O ATOM 0 H ASP A 36 -7.981 -3.670 4.097 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.939 -2.275 5.760 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.314 -3.689 6.422 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.395 -2.985 7.608 1.00 0.00 H new ATOM 567 N ASN A 37 -7.157 -0.945 4.773 1.00 0.00 N ATOM 568 CA ASN A 37 -6.406 0.310 4.797 1.00 0.00 C ATOM 569 C ASN A 37 -7.199 1.406 4.104 1.00 0.00 C ATOM 570 O ASN A 37 -7.328 2.514 4.622 1.00 0.00 O ATOM 571 CB ASN A 37 -5.037 0.164 4.117 1.00 0.00 C ATOM 572 CG ASN A 37 -4.108 -0.781 4.852 1.00 0.00 C ATOM 573 OD1 ASN A 37 -4.031 -0.763 6.081 1.00 0.00 O ATOM 574 ND2 ASN A 37 -3.366 -1.588 4.100 1.00 0.00 N ATOM 0 H ASN A 37 -6.875 -1.602 4.046 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.242 0.575 5.842 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.180 -0.196 3.098 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.567 1.145 4.046 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.701 -2.225 4.538 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.462 -1.570 3.085 1.00 0.00 H new ATOM 581 N GLY A 38 -7.728 1.065 2.929 1.00 0.00 N ATOM 582 CA GLY A 38 -8.524 1.977 2.120 1.00 0.00 C ATOM 583 C GLY A 38 -8.859 3.310 2.772 1.00 0.00 C ATOM 584 O GLY A 38 -7.977 4.133 3.020 1.00 0.00 O ATOM 0 H GLY A 38 -7.613 0.141 2.512 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.989 2.172 1.191 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.456 1.479 1.853 1.00 0.00 H new ATOM 588 N VAL A 39 -10.150 3.544 2.974 1.00 0.00 N ATOM 589 CA VAL A 39 -10.625 4.814 3.520 1.00 0.00 C ATOM 590 C VAL A 39 -11.210 4.703 4.926 1.00 0.00 C ATOM 591 O VAL A 39 -11.725 5.691 5.454 1.00 0.00 O ATOM 592 CB VAL A 39 -11.719 5.393 2.615 1.00 0.00 C ATOM 593 CG1 VAL A 39 -12.097 6.803 3.047 1.00 0.00 C ATOM 594 CG2 VAL A 39 -11.286 5.371 1.157 1.00 0.00 C ATOM 0 H VAL A 39 -10.889 2.872 2.768 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.746 5.456 3.569 1.00 0.00 H new ATOM 0 HB VAL A 39 -12.603 4.763 2.715 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.875 7.189 2.388 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.467 6.783 4.072 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.220 7.448 2.991 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.079 5.787 0.536 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.381 5.967 1.037 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.087 4.344 0.852 1.00 0.00 H new ATOM 604 N ASP A 40 -11.151 3.534 5.544 1.00 0.00 N ATOM 605 CA ASP A 40 -11.704 3.377 6.889 1.00 0.00 C ATOM 606 C ASP A 40 -10.674 2.821 7.873 1.00 0.00 C ATOM 607 O ASP A 40 -11.023 2.426 8.985 1.00 0.00 O ATOM 608 CB ASP A 40 -12.926 2.460 6.851 1.00 0.00 C ATOM 609 CG ASP A 40 -14.031 3.006 5.968 1.00 0.00 C ATOM 610 OD1 ASP A 40 -14.525 4.116 6.254 1.00 0.00 O ATOM 611 OD2 ASP A 40 -14.402 2.323 4.990 1.00 0.00 O ATOM 0 H ASP A 40 -10.735 2.691 5.149 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.996 4.368 7.237 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.628 1.476 6.489 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.307 2.325 7.863 1.00 0.00 H new ATOM 616 N GLY A 41 -9.408 2.784 7.465 1.00 0.00 N ATOM 617 CA GLY A 41 -8.368 2.264 8.335 1.00 0.00 C ATOM 618 C GLY A 41 -7.879 3.283 9.350 1.00 0.00 C ATOM 619 O GLY A 41 -8.302 4.439 9.333 1.00 0.00 O ATOM 0 H GLY A 41 -9.085 3.103 6.552 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.747 1.388 8.861 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.526 1.932 7.727 1.00 0.00 H new ATOM 623 N GLU A 42 -6.982 2.849 10.232 1.00 0.00 N ATOM 624 CA GLU A 42 -6.425 3.723 11.260 1.00 0.00 C ATOM 625 C GLU A 42 -5.107 4.328 10.785 1.00 0.00 C ATOM 626 O GLU A 42 -4.060 3.676 10.834 1.00 0.00 O ATOM 627 CB GLU A 42 -6.205 2.944 12.558 1.00 0.00 C ATOM 628 CG GLU A 42 -7.477 2.331 13.123 1.00 0.00 C ATOM 629 CD GLU A 42 -7.234 1.559 14.406 1.00 0.00 C ATOM 630 OE1 GLU A 42 -6.070 1.504 14.856 1.00 0.00 O ATOM 631 OE2 GLU A 42 -8.209 1.010 14.960 1.00 0.00 O ATOM 0 H GLU A 42 -6.625 1.894 10.255 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.134 4.529 11.449 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.479 2.152 12.378 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.771 3.611 13.303 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.204 3.121 13.311 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.916 1.665 12.380 1.00 0.00 H new ATOM 638 N TRP A 43 -5.170 5.563 10.297 1.00 0.00 N ATOM 639 CA TRP A 43 -3.989 6.247 9.780 1.00 0.00 C ATOM 640 C TRP A 43 -3.311 7.128 10.826 1.00 0.00 C ATOM 641 O TRP A 43 -3.873 8.130 11.267 1.00 0.00 O ATOM 642 CB TRP A 43 -4.375 7.117 8.588 1.00 0.00 C ATOM 643 CG TRP A 43 -4.933 6.350 7.433 1.00 0.00 C ATOM 644 CD1 TRP A 43 -5.926 5.416 7.462 1.00 0.00 C ATOM 645 CD2 TRP A 43 -4.525 6.462 6.070 1.00 0.00 C ATOM 646 NE1 TRP A 43 -6.161 4.940 6.195 1.00 0.00 N ATOM 647 CE2 TRP A 43 -5.311 5.569 5.322 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.569 7.235 5.413 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -5.166 5.428 3.945 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.425 7.095 4.050 1.00 0.00 C ATOM 651 CH2 TRP A 43 -4.219 6.199 3.326 1.00 0.00 C ATOM 0 H TRP A 43 -6.028 6.112 10.249 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.283 5.471 9.485 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -5.110 7.854 8.912 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -3.496 7.669 8.254 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -6.451 5.097 8.351 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.854 4.235 5.945 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.952 7.931 5.962 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.778 4.736 3.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.686 7.687 3.531 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.082 6.114 2.258 1.00 0.00 H new ATOM 662 N THR A 44 -2.085 6.767 11.189 1.00 0.00 N ATOM 663 CA THR A 44 -1.308 7.542 12.147 1.00 0.00 C ATOM 664 C THR A 44 -0.159 8.240 11.420 1.00 0.00 C ATOM 665 O THR A 44 0.490 7.643 10.563 1.00 0.00 O ATOM 666 CB THR A 44 -0.769 6.640 13.258 1.00 0.00 C ATOM 667 OG1 THR A 44 0.007 5.588 12.718 1.00 0.00 O ATOM 668 CG2 THR A 44 -1.859 6.019 14.106 1.00 0.00 C ATOM 0 H THR A 44 -1.607 5.939 10.832 1.00 0.00 H new ATOM 0 HA THR A 44 -1.952 8.292 12.606 1.00 0.00 H new ATOM 0 HB THR A 44 -0.165 7.291 13.890 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.636 5.950 12.059 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.409 5.391 14.875 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.446 6.807 14.578 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.508 5.411 13.476 1.00 0.00 H new ATOM 676 N TYR A 45 0.078 9.507 11.746 1.00 0.00 N ATOM 677 CA TYR A 45 1.137 10.271 11.091 1.00 0.00 C ATOM 678 C TYR A 45 2.290 10.565 12.048 1.00 0.00 C ATOM 679 O TYR A 45 2.080 10.797 13.239 1.00 0.00 O ATOM 680 CB TYR A 45 0.566 11.578 10.535 1.00 0.00 C ATOM 681 CG TYR A 45 1.548 12.381 9.709 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.485 11.755 8.896 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.530 13.770 9.739 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.378 12.490 8.139 1.00 0.00 C ATOM 685 CE2 TYR A 45 2.419 14.512 8.984 1.00 0.00 C ATOM 686 CZ TYR A 45 3.341 13.867 8.186 1.00 0.00 C ATOM 687 OH TYR A 45 4.227 14.603 7.434 1.00 0.00 O ATOM 0 H TYR A 45 -0.444 10.024 12.454 1.00 0.00 H new ATOM 0 HA TYR A 45 1.531 9.669 10.272 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.306 11.349 9.922 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.219 12.193 11.366 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.516 10.676 8.855 1.00 0.00 H new ATOM 0 HD2 TYR A 45 0.809 14.278 10.363 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.101 11.988 7.514 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.392 15.591 9.019 1.00 0.00 H new ATOM 0 HH TYR A 45 4.066 15.558 7.581 1.00 0.00 H new ATOM 697 N ASP A 46 3.510 10.558 11.513 1.00 0.00 N ATOM 698 CA ASP A 46 4.704 10.828 12.309 1.00 0.00 C ATOM 699 C ASP A 46 5.491 11.999 11.722 1.00 0.00 C ATOM 700 O ASP A 46 6.454 11.803 10.980 1.00 0.00 O ATOM 701 CB ASP A 46 5.589 9.581 12.376 1.00 0.00 C ATOM 702 CG ASP A 46 6.835 9.798 13.211 1.00 0.00 C ATOM 703 OD1 ASP A 46 6.695 10.105 14.414 1.00 0.00 O ATOM 704 OD2 ASP A 46 7.949 9.660 12.664 1.00 0.00 O ATOM 0 H ASP A 46 3.697 10.368 10.528 1.00 0.00 H new ATOM 0 HA ASP A 46 4.390 11.094 13.318 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.015 8.754 12.794 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.878 9.290 11.366 1.00 0.00 H new ATOM 709 N ASP A 47 5.068 13.216 12.054 1.00 0.00 N ATOM 710 CA ASP A 47 5.723 14.426 11.558 1.00 0.00 C ATOM 711 C ASP A 47 7.244 14.336 11.674 1.00 0.00 C ATOM 712 O ASP A 47 7.972 14.862 10.833 1.00 0.00 O ATOM 713 CB ASP A 47 5.224 15.649 12.331 1.00 0.00 C ATOM 714 CG ASP A 47 3.720 15.821 12.248 1.00 0.00 C ATOM 715 OD1 ASP A 47 3.059 14.974 11.611 1.00 0.00 O ATOM 716 OD2 ASP A 47 3.201 16.799 12.824 1.00 0.00 O ATOM 0 H ASP A 47 4.272 13.392 12.667 1.00 0.00 H new ATOM 0 HA ASP A 47 5.469 14.526 10.503 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.518 15.557 13.377 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.710 16.543 11.941 1.00 0.00 H new ATOM 721 N ALA A 48 7.714 13.686 12.733 1.00 0.00 N ATOM 722 CA ALA A 48 9.147 13.547 12.979 1.00 0.00 C ATOM 723 C ALA A 48 9.899 13.048 11.748 1.00 0.00 C ATOM 724 O ALA A 48 11.053 13.417 11.528 1.00 0.00 O ATOM 725 CB ALA A 48 9.385 12.612 14.154 1.00 0.00 C ATOM 0 H ALA A 48 7.122 13.245 13.438 1.00 0.00 H new ATOM 0 HA ALA A 48 9.535 14.538 13.215 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.456 12.514 14.330 1.00 0.00 H new ATOM 0 HB2 ALA A 48 8.906 13.018 15.045 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.963 11.632 13.930 1.00 0.00 H new ATOM 731 N THR A 49 9.252 12.206 10.950 1.00 0.00 N ATOM 732 CA THR A 49 9.884 11.664 9.750 1.00 0.00 C ATOM 733 C THR A 49 9.013 11.863 8.512 1.00 0.00 C ATOM 734 O THR A 49 9.229 11.215 7.487 1.00 0.00 O ATOM 735 CB THR A 49 10.182 10.175 9.939 1.00 0.00 C ATOM 736 OG1 THR A 49 8.988 9.454 10.188 1.00 0.00 O ATOM 737 CG2 THR A 49 11.136 9.893 11.080 1.00 0.00 C ATOM 0 H THR A 49 8.297 11.885 11.109 1.00 0.00 H new ATOM 0 HA THR A 49 10.816 12.208 9.595 1.00 0.00 H new ATOM 0 HB THR A 49 10.652 9.854 9.009 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.756 9.523 11.138 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.303 8.819 11.157 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.085 10.395 10.893 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.708 10.262 12.012 1.00 0.00 H new ATOM 745 N LYS A 50 8.026 12.754 8.604 1.00 0.00 N ATOM 746 CA LYS A 50 7.131 13.013 7.477 1.00 0.00 C ATOM 747 C LYS A 50 6.617 11.702 6.887 1.00 0.00 C ATOM 748 O LYS A 50 6.457 11.574 5.670 1.00 0.00 O ATOM 749 CB LYS A 50 7.852 13.815 6.390 1.00 0.00 C ATOM 750 CG LYS A 50 8.133 15.259 6.770 1.00 0.00 C ATOM 751 CD LYS A 50 6.845 16.051 6.938 1.00 0.00 C ATOM 752 CE LYS A 50 7.122 17.533 7.136 1.00 0.00 C ATOM 753 NZ LYS A 50 7.962 17.790 8.338 1.00 0.00 N ATOM 0 H LYS A 50 7.827 13.304 9.440 1.00 0.00 H new ATOM 0 HA LYS A 50 6.285 13.593 7.846 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.795 13.322 6.155 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.249 13.800 5.482 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.703 15.288 7.699 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.751 15.725 6.002 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.214 15.912 6.060 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.289 15.666 7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.623 17.929 6.253 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.177 18.068 7.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.014 18.814 8.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.540 17.319 9.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.920 17.417 8.178 1.00 0.00 H new ATOM 767 N THR A 51 6.379 10.724 7.755 1.00 0.00 N ATOM 768 CA THR A 51 5.905 9.421 7.316 1.00 0.00 C ATOM 769 C THR A 51 4.645 9.000 8.066 1.00 0.00 C ATOM 770 O THR A 51 4.523 9.216 9.272 1.00 0.00 O ATOM 771 CB THR A 51 7.003 8.375 7.513 1.00 0.00 C ATOM 772 OG1 THR A 51 8.157 8.714 6.766 1.00 0.00 O ATOM 773 CG2 THR A 51 6.587 6.981 7.104 1.00 0.00 C ATOM 0 H THR A 51 6.507 10.811 8.763 1.00 0.00 H new ATOM 0 HA THR A 51 5.655 9.495 6.258 1.00 0.00 H new ATOM 0 HB THR A 51 7.209 8.374 8.583 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.515 9.568 7.087 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.414 6.291 7.271 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.728 6.668 7.698 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.318 6.977 6.048 1.00 0.00 H new ATOM 781 N PHE A 52 3.714 8.394 7.338 1.00 0.00 N ATOM 782 CA PHE A 52 2.461 7.931 7.921 1.00 0.00 C ATOM 783 C PHE A 52 2.470 6.412 8.070 1.00 0.00 C ATOM 784 O PHE A 52 3.001 5.704 7.221 1.00 0.00 O ATOM 785 CB PHE A 52 1.278 8.344 7.040 1.00 0.00 C ATOM 786 CG PHE A 52 1.243 9.807 6.699 1.00 0.00 C ATOM 787 CD1 PHE A 52 2.189 10.356 5.849 1.00 0.00 C ATOM 788 CD2 PHE A 52 0.259 10.631 7.220 1.00 0.00 C ATOM 789 CE1 PHE A 52 2.156 11.699 5.525 1.00 0.00 C ATOM 790 CE2 PHE A 52 0.219 11.975 6.899 1.00 0.00 C ATOM 791 CZ PHE A 52 1.170 12.509 6.051 1.00 0.00 C ATOM 0 H PHE A 52 3.804 8.211 6.339 1.00 0.00 H new ATOM 0 HA PHE A 52 2.356 8.388 8.905 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.310 7.768 6.115 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.351 8.079 7.549 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.962 9.726 5.434 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.486 10.219 7.885 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.900 12.114 4.861 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.554 12.607 7.310 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.142 13.559 5.800 1.00 0.00 H new ATOM 801 N THR A 53 1.857 5.916 9.137 1.00 0.00 N ATOM 802 CA THR A 53 1.777 4.477 9.369 1.00 0.00 C ATOM 803 C THR A 53 0.330 4.004 9.331 1.00 0.00 C ATOM 804 O THR A 53 -0.523 4.509 10.060 1.00 0.00 O ATOM 805 CB THR A 53 2.428 4.087 10.697 1.00 0.00 C ATOM 806 OG1 THR A 53 2.139 5.038 11.704 1.00 0.00 O ATOM 807 CG2 THR A 53 3.932 3.926 10.611 1.00 0.00 C ATOM 0 H THR A 53 1.409 6.486 9.854 1.00 0.00 H new ATOM 0 HA THR A 53 2.327 3.985 8.567 1.00 0.00 H new ATOM 0 HB THR A 53 1.999 3.117 10.949 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.478 4.666 12.325 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.325 3.649 11.589 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.174 3.146 9.889 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.381 4.867 10.293 1.00 0.00 H new ATOM 815 N VAL A 54 0.069 3.023 8.476 1.00 0.00 N ATOM 816 CA VAL A 54 -1.268 2.467 8.338 1.00 0.00 C ATOM 817 C VAL A 54 -1.323 1.068 8.935 1.00 0.00 C ATOM 818 O VAL A 54 -0.715 0.135 8.411 1.00 0.00 O ATOM 819 CB VAL A 54 -1.705 2.412 6.859 1.00 0.00 C ATOM 820 CG1 VAL A 54 -3.138 1.917 6.738 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.550 3.779 6.209 1.00 0.00 C ATOM 0 H VAL A 54 0.768 2.597 7.868 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.954 3.121 8.877 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.059 1.707 6.336 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.425 1.886 5.687 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.215 0.917 7.164 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.803 2.593 7.276 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.862 3.724 5.166 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.170 4.505 6.735 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.506 4.090 6.259 1.00 0.00 H new ATOM 831 N THR A 55 -2.049 0.927 10.037 1.00 0.00 N ATOM 832 CA THR A 55 -2.168 -0.364 10.699 1.00 0.00 C ATOM 833 C THR A 55 -3.505 -1.014 10.376 1.00 0.00 C ATOM 834 O THR A 55 -4.559 -0.507 10.761 1.00 0.00 O ATOM 835 CB THR A 55 -2.008 -0.211 12.211 1.00 0.00 C ATOM 836 OG1 THR A 55 -0.840 0.530 12.516 1.00 0.00 O ATOM 837 CG2 THR A 55 -1.904 -1.538 12.930 1.00 0.00 C ATOM 0 H THR A 55 -2.561 1.685 10.488 1.00 0.00 H new ATOM 0 HA THR A 55 -1.371 -1.008 10.328 1.00 0.00 H new ATOM 0 HB THR A 55 -2.905 0.306 12.551 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.754 0.620 13.488 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.792 -1.364 14.000 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.807 -2.121 12.750 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.038 -2.086 12.559 1.00 0.00 H new ATOM 845 N GLU A 56 -3.463 -2.133 9.658 1.00 0.00 N ATOM 846 CA GLU A 56 -4.694 -2.827 9.284 1.00 0.00 C ATOM 847 C GLU A 56 -5.350 -3.460 10.508 1.00 0.00 C ATOM 848 O GLU A 56 -4.618 -3.821 11.452 1.00 0.00 O ATOM 849 CB GLU A 56 -4.430 -3.895 8.217 1.00 0.00 C ATOM 850 CG GLU A 56 -3.743 -5.147 8.738 1.00 0.00 C ATOM 851 CD GLU A 56 -3.663 -6.244 7.692 1.00 0.00 C ATOM 852 OE1 GLU A 56 -4.166 -6.033 6.570 1.00 0.00 O ATOM 853 OE2 GLU A 56 -3.100 -7.315 7.998 1.00 0.00 O ATOM 854 OXT GLU A 56 -6.593 -3.588 10.512 1.00 0.00 O ATOM 0 H GLU A 56 -2.605 -2.574 9.327 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.374 -2.086 8.863 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.379 -4.179 7.762 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.816 -3.460 7.429 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.737 -4.893 9.072 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.283 -5.518 9.609 1.00 0.00 H new TER 861 GLU A 56 ATOM 862 N MET B 1 6.507 18.934 -2.008 1.00 0.00 N ATOM 863 CA MET B 1 7.389 18.060 -1.191 1.00 0.00 C ATOM 864 C MET B 1 6.996 16.592 -1.334 1.00 0.00 C ATOM 865 O MET B 1 5.878 16.274 -1.740 1.00 0.00 O ATOM 866 CB MET B 1 7.286 18.493 0.274 1.00 0.00 C ATOM 867 CG MET B 1 8.139 17.660 1.217 1.00 0.00 C ATOM 868 SD MET B 1 7.996 18.191 2.934 1.00 0.00 S ATOM 869 CE MET B 1 9.079 17.017 3.743 1.00 0.00 C ATOM 0 H1 MET B 1 7.052 19.336 -2.797 1.00 0.00 H new ATOM 0 H2 MET B 1 5.715 18.374 -2.383 1.00 0.00 H new ATOM 0 H3 MET B 1 6.136 19.704 -1.416 1.00 0.00 H new ATOM 0 HA MET B 1 8.416 18.162 -1.542 1.00 0.00 H new ATOM 0 HB2 MET B 1 7.583 19.538 0.357 1.00 0.00 H new ATOM 0 HB3 MET B 1 6.245 18.432 0.590 1.00 0.00 H new ATOM 0 HG2 MET B 1 7.844 16.613 1.139 1.00 0.00 H new ATOM 0 HG3 MET B 1 9.182 17.722 0.907 1.00 0.00 H new ATOM 0 HE1 MET B 1 9.323 17.376 4.743 1.00 0.00 H new ATOM 0 HE2 MET B 1 8.579 16.051 3.816 1.00 0.00 H new ATOM 0 HE3 MET B 1 9.996 16.908 3.163 1.00 0.00 H new ATOM 881 N GLN B 2 7.922 15.704 -0.991 1.00 0.00 N ATOM 882 CA GLN B 2 7.676 14.271 -1.068 1.00 0.00 C ATOM 883 C GLN B 2 7.479 13.691 0.327 1.00 0.00 C ATOM 884 O GLN B 2 8.119 14.128 1.284 1.00 0.00 O ATOM 885 CB GLN B 2 8.844 13.569 -1.767 1.00 0.00 C ATOM 886 CG GLN B 2 8.661 12.064 -1.897 1.00 0.00 C ATOM 887 CD GLN B 2 9.827 11.364 -2.584 1.00 0.00 C ATOM 888 OE1 GLN B 2 9.811 10.144 -2.751 1.00 0.00 O ATOM 889 NE2 GLN B 2 10.846 12.121 -2.987 1.00 0.00 N ATOM 0 H GLN B 2 8.853 15.953 -0.656 1.00 0.00 H new ATOM 0 HA GLN B 2 6.768 14.107 -1.648 1.00 0.00 H new ATOM 0 HB2 GLN B 2 8.973 13.998 -2.761 1.00 0.00 H new ATOM 0 HB3 GLN B 2 9.761 13.768 -1.213 1.00 0.00 H new ATOM 0 HG2 GLN B 2 8.526 11.636 -0.904 1.00 0.00 H new ATOM 0 HG3 GLN B 2 7.748 11.865 -2.457 1.00 0.00 H new ATOM 0 HE21 GLN B 2 10.825 13.129 -2.832 1.00 0.00 H new ATOM 0 HE22 GLN B 2 11.647 11.693 -3.451 1.00 0.00 H new ATOM 898 N TYR B 3 6.590 12.712 0.444 1.00 0.00 N ATOM 899 CA TYR B 3 6.318 12.088 1.732 1.00 0.00 C ATOM 900 C TYR B 3 6.328 10.571 1.612 1.00 0.00 C ATOM 901 O TYR B 3 5.967 10.017 0.573 1.00 0.00 O ATOM 902 CB TYR B 3 4.968 12.562 2.273 1.00 0.00 C ATOM 903 CG TYR B 3 4.889 14.058 2.472 1.00 0.00 C ATOM 904 CD1 TYR B 3 4.937 14.926 1.388 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.768 14.603 3.745 1.00 0.00 C ATOM 906 CE1 TYR B 3 4.866 16.295 1.566 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.696 15.971 3.931 1.00 0.00 C ATOM 908 CZ TYR B 3 4.747 16.813 2.839 1.00 0.00 C ATOM 909 OH TYR B 3 4.677 18.175 3.021 1.00 0.00 O ATOM 0 H TYR B 3 6.048 12.335 -0.333 1.00 0.00 H new ATOM 0 HA TYR B 3 7.104 12.383 2.427 1.00 0.00 H new ATOM 0 HB2 TYR B 3 4.181 12.253 1.585 1.00 0.00 H new ATOM 0 HB3 TYR B 3 4.772 12.066 3.224 1.00 0.00 H new ATOM 0 HD1 TYR B 3 5.031 14.524 0.390 1.00 0.00 H new ATOM 0 HD2 TYR B 3 4.730 13.947 4.602 1.00 0.00 H new ATOM 0 HE1 TYR B 3 4.904 16.956 0.713 1.00 0.00 H new ATOM 0 HE2 TYR B 3 4.600 16.379 4.926 1.00 0.00 H new ATOM 0 HH TYR B 3 5.583 18.549 3.047 1.00 0.00 H new ATOM 919 N LYS B 4 6.735 9.902 2.683 1.00 0.00 N ATOM 920 CA LYS B 4 6.780 8.446 2.695 1.00 0.00 C ATOM 921 C LYS B 4 5.654 7.900 3.559 1.00 0.00 C ATOM 922 O LYS B 4 5.159 8.585 4.451 1.00 0.00 O ATOM 923 CB LYS B 4 8.136 7.954 3.211 1.00 0.00 C ATOM 924 CG LYS B 4 8.297 6.443 3.153 1.00 0.00 C ATOM 925 CD LYS B 4 9.692 6.012 3.578 1.00 0.00 C ATOM 926 CE LYS B 4 9.987 6.392 5.020 1.00 0.00 C ATOM 927 NZ LYS B 4 9.106 5.668 5.979 1.00 0.00 N ATOM 0 H LYS B 4 7.038 10.343 3.552 1.00 0.00 H new ATOM 0 HA LYS B 4 6.651 8.083 1.675 1.00 0.00 H new ATOM 0 HB2 LYS B 4 8.929 8.418 2.625 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.266 8.286 4.241 1.00 0.00 H new ATOM 0 HG2 LYS B 4 7.557 5.973 3.801 1.00 0.00 H new ATOM 0 HG3 LYS B 4 8.101 6.094 2.139 1.00 0.00 H new ATOM 0 HD2 LYS B 4 9.791 4.933 3.459 1.00 0.00 H new ATOM 0 HD3 LYS B 4 10.430 6.474 2.922 1.00 0.00 H new ATOM 0 HE2 LYS B 4 11.030 6.170 5.247 1.00 0.00 H new ATOM 0 HE3 LYS B 4 9.855 7.467 5.146 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 9.155 6.128 6.910 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 8.125 5.689 5.633 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 9.422 4.681 6.064 1.00 0.00 H new ATOM 941 N VAL B 5 5.238 6.671 3.288 1.00 0.00 N ATOM 942 CA VAL B 5 4.159 6.062 4.048 1.00 0.00 C ATOM 943 C VAL B 5 4.470 4.610 4.388 1.00 0.00 C ATOM 944 O VAL B 5 4.803 3.809 3.518 1.00 0.00 O ATOM 945 CB VAL B 5 2.823 6.132 3.280 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.692 5.537 4.105 1.00 0.00 C ATOM 947 CG2 VAL B 5 2.508 7.570 2.889 1.00 0.00 C ATOM 0 H VAL B 5 5.628 6.081 2.553 1.00 0.00 H new ATOM 0 HA VAL B 5 4.066 6.629 4.974 1.00 0.00 H new ATOM 0 HB VAL B 5 2.921 5.542 2.369 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.760 5.598 3.542 1.00 0.00 H new ATOM 0 HG12 VAL B 5 1.914 4.493 4.328 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.590 6.093 5.037 1.00 0.00 H new ATOM 0 HG21 VAL B 5 1.562 7.601 2.348 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.433 8.183 3.787 1.00 0.00 H new ATOM 0 HG23 VAL B 5 3.303 7.956 2.252 1.00 0.00 H new ATOM 957 N ILE B 6 4.348 4.283 5.666 1.00 0.00 N ATOM 958 CA ILE B 6 4.598 2.933 6.140 1.00 0.00 C ATOM 959 C ILE B 6 3.293 2.149 6.211 1.00 0.00 C ATOM 960 O ILE B 6 2.413 2.458 7.012 1.00 0.00 O ATOM 961 CB ILE B 6 5.272 2.941 7.529 1.00 0.00 C ATOM 962 CG1 ILE B 6 6.680 3.527 7.430 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.317 1.540 8.123 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.392 3.618 8.763 1.00 0.00 C ATOM 0 H ILE B 6 4.075 4.940 6.397 1.00 0.00 H new ATOM 0 HA ILE B 6 5.274 2.453 5.432 1.00 0.00 H new ATOM 0 HB ILE B 6 4.677 3.568 8.193 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.273 2.914 6.752 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.620 4.523 6.990 1.00 0.00 H new ATOM 0 HG21 ILE B 6 5.797 1.575 9.101 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.302 1.157 8.230 1.00 0.00 H new ATOM 0 HG23 ILE B 6 5.885 0.883 7.464 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.385 4.043 8.617 1.00 0.00 H new ATOM 0 HD12 ILE B 6 6.821 4.255 9.438 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.484 2.622 9.195 1.00 0.00 H new ATOM 976 N LEU B 7 3.178 1.129 5.373 1.00 0.00 N ATOM 977 CA LEU B 7 1.983 0.301 5.348 1.00 0.00 C ATOM 978 C LEU B 7 2.208 -0.913 6.242 1.00 0.00 C ATOM 979 O LEU B 7 2.651 -1.965 5.783 1.00 0.00 O ATOM 980 CB LEU B 7 1.675 -0.130 3.910 1.00 0.00 C ATOM 981 CG LEU B 7 1.897 0.949 2.851 1.00 0.00 C ATOM 982 CD1 LEU B 7 1.463 0.446 1.483 1.00 0.00 C ATOM 983 CD2 LEU B 7 1.153 2.222 3.224 1.00 0.00 C ATOM 0 H LEU B 7 3.897 0.856 4.703 1.00 0.00 H new ATOM 0 HA LEU B 7 1.128 0.866 5.720 1.00 0.00 H new ATOM 0 HB2 LEU B 7 2.295 -0.992 3.664 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.637 -0.459 3.860 1.00 0.00 H new ATOM 0 HG LEU B 7 2.961 1.180 2.806 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.627 1.226 0.740 1.00 0.00 H new ATOM 0 HD12 LEU B 7 2.046 -0.436 1.218 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.404 0.187 1.509 1.00 0.00 H new ATOM 0 HD21 LEU B 7 1.322 2.980 2.459 1.00 0.00 H new ATOM 0 HD22 LEU B 7 0.086 2.012 3.297 1.00 0.00 H new ATOM 0 HD23 LEU B 7 1.517 2.588 4.184 1.00 0.00 H new ATOM 995 N ASN B 8 1.945 -0.734 7.535 1.00 0.00 N ATOM 996 CA ASN B 8 2.161 -1.784 8.523 1.00 0.00 C ATOM 997 C ASN B 8 0.894 -2.588 8.808 1.00 0.00 C ATOM 998 O ASN B 8 -0.028 -2.107 9.468 1.00 0.00 O ATOM 999 CB ASN B 8 2.666 -1.149 9.819 1.00 0.00 C ATOM 1000 CG ASN B 8 3.186 -2.165 10.813 1.00 0.00 C ATOM 1001 OD1 ASN B 8 2.501 -3.130 11.155 1.00 0.00 O ATOM 1002 ND2 ASN B 8 4.402 -1.940 11.296 1.00 0.00 N ATOM 0 H ASN B 8 1.579 0.136 7.923 1.00 0.00 H new ATOM 0 HA ASN B 8 2.898 -2.477 8.117 1.00 0.00 H new ATOM 0 HB2 ASN B 8 3.460 -0.440 9.584 1.00 0.00 H new ATOM 0 HB3 ASN B 8 1.857 -0.581 10.278 1.00 0.00 H new ATOM 0 HD21 ASN B 8 4.806 -2.580 11.980 1.00 0.00 H new ATOM 0 HD22 ASN B 8 4.933 -1.127 10.983 1.00 0.00 H new ATOM 1009 N GLY B 9 0.850 -3.819 8.314 1.00 0.00 N ATOM 1010 CA GLY B 9 -0.308 -4.659 8.547 1.00 0.00 C ATOM 1011 C GLY B 9 0.022 -5.874 9.385 1.00 0.00 C ATOM 1012 O GLY B 9 1.117 -5.983 9.938 1.00 0.00 O ATOM 0 H GLY B 9 1.591 -4.248 7.760 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -1.082 -4.076 9.046 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.718 -4.981 7.590 1.00 0.00 H new ATOM 1016 N LYS B 10 -0.931 -6.789 9.475 1.00 0.00 N ATOM 1017 CA LYS B 10 -0.754 -8.009 10.244 1.00 0.00 C ATOM 1018 C LYS B 10 0.129 -8.992 9.485 1.00 0.00 C ATOM 1019 O LYS B 10 1.155 -9.446 9.993 1.00 0.00 O ATOM 1020 CB LYS B 10 -2.118 -8.640 10.529 1.00 0.00 C ATOM 1021 CG LYS B 10 -3.088 -7.691 11.215 1.00 0.00 C ATOM 1022 CD LYS B 10 -4.511 -8.236 11.229 1.00 0.00 C ATOM 1023 CE LYS B 10 -4.632 -9.506 12.059 1.00 0.00 C ATOM 1024 NZ LYS B 10 -3.950 -10.667 11.421 1.00 0.00 N ATOM 0 H LYS B 10 -1.841 -6.708 9.021 1.00 0.00 H new ATOM 0 HA LYS B 10 -0.267 -7.764 11.188 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -2.556 -8.981 9.591 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -1.979 -9.522 11.155 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -2.758 -7.514 12.239 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -3.074 -6.728 10.705 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -5.185 -7.478 11.628 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -4.830 -8.440 10.207 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -4.204 -9.334 13.046 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -5.686 -9.742 12.205 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -4.513 -11.528 11.574 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -3.852 -10.494 10.400 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -3.007 -10.791 11.843 1.00 0.00 H new ATOM 1038 N THR B 11 -0.285 -9.321 8.265 1.00 0.00 N ATOM 1039 CA THR B 11 0.442 -10.249 7.421 1.00 0.00 C ATOM 1040 C THR B 11 1.141 -9.524 6.281 1.00 0.00 C ATOM 1041 O THR B 11 1.698 -10.155 5.382 1.00 0.00 O ATOM 1042 CB THR B 11 -0.535 -11.272 6.847 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.741 -10.642 6.461 1.00 0.00 O ATOM 1044 CG2 THR B 11 -0.884 -12.382 7.812 1.00 0.00 C ATOM 0 H THR B 11 -1.134 -8.949 7.839 1.00 0.00 H new ATOM 0 HA THR B 11 1.201 -10.746 8.026 1.00 0.00 H new ATOM 0 HB THR B 11 -0.023 -11.712 5.991 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.500 -11.213 6.701 1.00 0.00 H new ATOM 0 HG21 THR B 11 -1.582 -13.071 7.337 1.00 0.00 H new ATOM 0 HG22 THR B 11 0.022 -12.919 8.092 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.344 -11.957 8.704 1.00 0.00 H new ATOM 1052 N LEU B 12 1.102 -8.197 6.309 1.00 0.00 N ATOM 1053 CA LEU B 12 1.726 -7.408 5.263 1.00 0.00 C ATOM 1054 C LEU B 12 2.463 -6.203 5.836 1.00 0.00 C ATOM 1055 O LEU B 12 1.974 -5.530 6.742 1.00 0.00 O ATOM 1056 CB LEU B 12 0.673 -6.960 4.248 1.00 0.00 C ATOM 1057 CG LEU B 12 1.205 -6.122 3.094 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.401 -6.812 2.467 1.00 0.00 C ATOM 1059 CD2 LEU B 12 0.116 -5.883 2.059 1.00 0.00 C ATOM 0 H LEU B 12 0.647 -7.651 7.041 1.00 0.00 H new ATOM 0 HA LEU B 12 2.463 -8.034 4.760 1.00 0.00 H new ATOM 0 HB2 LEU B 12 0.185 -7.845 3.839 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.092 -6.386 4.771 1.00 0.00 H new ATOM 0 HG LEU B 12 1.521 -5.152 3.478 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.778 -6.208 1.642 1.00 0.00 H new ATOM 0 HD12 LEU B 12 3.184 -6.934 3.215 1.00 0.00 H new ATOM 0 HD13 LEU B 12 2.101 -7.791 2.093 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.516 -5.282 1.242 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.232 -6.840 1.669 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.717 -5.356 2.523 1.00 0.00 H new ATOM 1071 N LYS B 13 3.643 -5.939 5.288 1.00 0.00 N ATOM 1072 CA LYS B 13 4.463 -4.815 5.723 1.00 0.00 C ATOM 1073 C LYS B 13 5.218 -4.219 4.540 1.00 0.00 C ATOM 1074 O LYS B 13 5.614 -4.939 3.623 1.00 0.00 O ATOM 1075 CB LYS B 13 5.450 -5.264 6.800 1.00 0.00 C ATOM 1076 CG LYS B 13 4.778 -5.816 8.050 1.00 0.00 C ATOM 1077 CD LYS B 13 5.789 -6.171 9.134 1.00 0.00 C ATOM 1078 CE LYS B 13 6.676 -7.343 8.731 1.00 0.00 C ATOM 1079 NZ LYS B 13 7.652 -6.978 7.667 1.00 0.00 N ATOM 0 H LYS B 13 4.055 -6.492 4.537 1.00 0.00 H new ATOM 0 HA LYS B 13 3.808 -4.051 6.142 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.107 -6.027 6.383 1.00 0.00 H new ATOM 0 HB3 LYS B 13 6.080 -4.419 7.079 1.00 0.00 H new ATOM 0 HG2 LYS B 13 4.074 -5.080 8.438 1.00 0.00 H new ATOM 0 HG3 LYS B 13 4.200 -6.703 7.789 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.412 -5.302 9.346 1.00 0.00 H new ATOM 0 HD3 LYS B 13 5.261 -6.417 10.055 1.00 0.00 H new ATOM 0 HE2 LYS B 13 7.216 -7.704 9.606 1.00 0.00 H new ATOM 0 HE3 LYS B 13 6.051 -8.164 8.380 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 8.585 -7.372 7.902 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 7.332 -7.364 6.756 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 7.721 -5.942 7.600 1.00 0.00 H new ATOM 1093 N GLY B 14 5.419 -2.904 4.559 1.00 0.00 N ATOM 1094 CA GLY B 14 6.131 -2.259 3.471 1.00 0.00 C ATOM 1095 C GLY B 14 6.215 -0.754 3.622 1.00 0.00 C ATOM 1096 O GLY B 14 5.939 -0.210 4.691 1.00 0.00 O ATOM 0 H GLY B 14 5.105 -2.279 5.301 1.00 0.00 H new ATOM 0 HA2 GLY B 14 7.139 -2.669 3.412 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.635 -2.496 2.530 1.00 0.00 H new ATOM 1100 N GLU B 15 6.599 -0.083 2.540 1.00 0.00 N ATOM 1101 CA GLU B 15 6.724 1.369 2.537 1.00 0.00 C ATOM 1102 C GLU B 15 6.368 1.936 1.167 1.00 0.00 C ATOM 1103 O GLU B 15 6.437 1.237 0.156 1.00 0.00 O ATOM 1104 CB GLU B 15 8.145 1.782 2.926 1.00 0.00 C ATOM 1105 CG GLU B 15 8.560 1.310 4.311 1.00 0.00 C ATOM 1106 CD GLU B 15 9.970 1.733 4.677 1.00 0.00 C ATOM 1107 OE1 GLU B 15 10.627 2.397 3.847 1.00 0.00 O ATOM 1108 OE2 GLU B 15 10.417 1.401 5.795 1.00 0.00 O ATOM 0 H GLU B 15 6.830 -0.525 1.650 1.00 0.00 H new ATOM 0 HA GLU B 15 6.027 1.774 3.271 1.00 0.00 H new ATOM 0 HB2 GLU B 15 8.844 1.383 2.191 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.223 2.868 2.883 1.00 0.00 H new ATOM 0 HG2 GLU B 15 7.863 1.707 5.049 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.488 0.223 4.356 1.00 0.00 H new ATOM 1115 N THR B 16 5.976 3.203 1.145 1.00 0.00 N ATOM 1116 CA THR B 16 5.596 3.871 -0.095 1.00 0.00 C ATOM 1117 C THR B 16 5.876 5.373 -0.016 1.00 0.00 C ATOM 1118 O THR B 16 6.188 5.891 1.053 1.00 0.00 O ATOM 1119 CB THR B 16 4.118 3.608 -0.397 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.617 4.571 -1.289 1.00 0.00 O ATOM 1121 CG2 THR B 16 3.238 3.619 0.833 1.00 0.00 C ATOM 0 H THR B 16 5.912 3.792 1.975 1.00 0.00 H new ATOM 0 HA THR B 16 6.198 3.465 -0.908 1.00 0.00 H new ATOM 0 HB THR B 16 4.087 2.609 -0.831 1.00 0.00 H new ATOM 0 HG1 THR B 16 2.805 4.229 -1.718 1.00 0.00 H new ATOM 0 HG21 THR B 16 2.205 3.426 0.543 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.571 2.846 1.526 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.303 4.593 1.318 1.00 0.00 H new ATOM 1129 N THR B 17 5.784 6.069 -1.153 1.00 0.00 N ATOM 1130 CA THR B 17 6.053 7.509 -1.183 1.00 0.00 C ATOM 1131 C THR B 17 5.131 8.270 -2.140 1.00 0.00 C ATOM 1132 O THR B 17 5.148 8.046 -3.351 1.00 0.00 O ATOM 1133 CB THR B 17 7.509 7.760 -1.575 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.805 7.145 -2.817 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.504 7.250 -0.557 1.00 0.00 C ATOM 0 H THR B 17 5.529 5.665 -2.054 1.00 0.00 H new ATOM 0 HA THR B 17 5.858 7.884 -0.178 1.00 0.00 H new ATOM 0 HB THR B 17 7.608 8.844 -1.637 1.00 0.00 H new ATOM 0 HG1 THR B 17 6.996 7.116 -3.369 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.517 7.462 -0.900 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.333 7.746 0.399 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.380 6.174 -0.435 1.00 0.00 H new ATOM 1143 N THR B 18 4.349 9.192 -1.579 1.00 0.00 N ATOM 1144 CA THR B 18 3.431 10.027 -2.355 1.00 0.00 C ATOM 1145 C THR B 18 3.952 11.466 -2.390 1.00 0.00 C ATOM 1146 O THR B 18 4.546 11.938 -1.420 1.00 0.00 O ATOM 1147 CB THR B 18 2.034 10.003 -1.730 1.00 0.00 C ATOM 1148 OG1 THR B 18 1.112 10.696 -2.549 1.00 0.00 O ATOM 1149 CG2 THR B 18 1.983 10.623 -0.350 1.00 0.00 C ATOM 0 H THR B 18 4.333 9.381 -0.577 1.00 0.00 H new ATOM 0 HA THR B 18 3.370 9.635 -3.370 1.00 0.00 H new ATOM 0 HB THR B 18 1.772 8.949 -1.643 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.350 10.567 -3.491 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.964 10.573 0.034 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.650 10.079 0.318 1.00 0.00 H new ATOM 0 HG23 THR B 18 2.298 11.665 -0.407 1.00 0.00 H new ATOM 1157 N GLU B 19 3.727 12.160 -3.498 1.00 0.00 N ATOM 1158 CA GLU B 19 4.177 13.543 -3.631 1.00 0.00 C ATOM 1159 C GLU B 19 2.992 14.495 -3.519 1.00 0.00 C ATOM 1160 O GLU B 19 2.091 14.474 -4.359 1.00 0.00 O ATOM 1161 CB GLU B 19 4.894 13.736 -4.972 1.00 0.00 C ATOM 1162 CG GLU B 19 5.566 15.094 -5.128 1.00 0.00 C ATOM 1163 CD GLU B 19 4.576 16.240 -5.209 1.00 0.00 C ATOM 1164 OE1 GLU B 19 3.745 16.240 -6.141 1.00 0.00 O ATOM 1165 OE2 GLU B 19 4.634 17.137 -4.342 1.00 0.00 O ATOM 0 H GLU B 19 3.239 11.792 -4.314 1.00 0.00 H new ATOM 0 HA GLU B 19 4.877 13.766 -2.826 1.00 0.00 H new ATOM 0 HB2 GLU B 19 5.646 12.955 -5.085 1.00 0.00 H new ATOM 0 HB3 GLU B 19 4.174 13.604 -5.779 1.00 0.00 H new ATOM 0 HG2 GLU B 19 6.237 15.260 -4.285 1.00 0.00 H new ATOM 0 HG3 GLU B 19 6.180 15.088 -6.028 1.00 0.00 H new ATOM 1172 N ALA B 20 2.985 15.327 -2.478 1.00 0.00 N ATOM 1173 CA ALA B 20 1.892 16.271 -2.273 1.00 0.00 C ATOM 1174 C ALA B 20 2.384 17.585 -1.665 1.00 0.00 C ATOM 1175 O ALA B 20 3.366 17.615 -0.923 1.00 0.00 O ATOM 1176 CB ALA B 20 0.822 15.649 -1.389 1.00 0.00 C ATOM 0 H ALA B 20 3.718 15.365 -1.770 1.00 0.00 H new ATOM 0 HA ALA B 20 1.464 16.500 -3.249 1.00 0.00 H new ATOM 0 HB1 ALA B 20 0.011 16.362 -1.243 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.433 14.750 -1.867 1.00 0.00 H new ATOM 0 HB3 ALA B 20 1.254 15.388 -0.423 1.00 0.00 H new ATOM 1182 N VAL B 21 1.696 18.668 -2.012 1.00 0.00 N ATOM 1183 CA VAL B 21 2.051 20.005 -1.536 1.00 0.00 C ATOM 1184 C VAL B 21 2.218 20.046 -0.016 1.00 0.00 C ATOM 1185 O VAL B 21 2.946 20.887 0.511 1.00 0.00 O ATOM 1186 CB VAL B 21 0.981 21.035 -1.943 1.00 0.00 C ATOM 1187 CG1 VAL B 21 1.437 22.447 -1.603 1.00 0.00 C ATOM 1188 CG2 VAL B 21 0.652 20.908 -3.421 1.00 0.00 C ATOM 0 H VAL B 21 0.882 18.647 -2.626 1.00 0.00 H new ATOM 0 HA VAL B 21 3.004 20.256 -2.001 1.00 0.00 H new ATOM 0 HB VAL B 21 0.073 20.830 -1.377 1.00 0.00 H new ATOM 0 HG11 VAL B 21 0.667 23.159 -1.899 1.00 0.00 H new ATOM 0 HG12 VAL B 21 1.610 22.525 -0.530 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.361 22.669 -2.137 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -0.106 21.644 -3.690 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.552 21.082 -4.010 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.273 19.906 -3.625 1.00 0.00 H new ATOM 1198 N ASP B 22 1.552 19.133 0.679 1.00 0.00 N ATOM 1199 CA ASP B 22 1.648 19.076 2.138 1.00 0.00 C ATOM 1200 C ASP B 22 1.317 17.682 2.662 1.00 0.00 C ATOM 1201 O ASP B 22 0.963 16.787 1.897 1.00 0.00 O ATOM 1202 CB ASP B 22 0.727 20.119 2.776 1.00 0.00 C ATOM 1203 CG ASP B 22 -0.739 19.858 2.494 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -1.253 18.816 2.951 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.372 20.695 1.818 1.00 0.00 O ATOM 0 H ASP B 22 0.944 18.427 0.264 1.00 0.00 H new ATOM 0 HA ASP B 22 2.678 19.301 2.414 1.00 0.00 H new ATOM 0 HB2 ASP B 22 0.889 20.129 3.854 1.00 0.00 H new ATOM 0 HB3 ASP B 22 0.993 21.108 2.404 1.00 0.00 H new ATOM 1210 N ALA B 23 1.446 17.506 3.973 1.00 0.00 N ATOM 1211 CA ALA B 23 1.169 16.220 4.602 1.00 0.00 C ATOM 1212 C ALA B 23 -0.272 15.788 4.375 1.00 0.00 C ATOM 1213 O ALA B 23 -0.540 14.625 4.074 1.00 0.00 O ATOM 1214 CB ALA B 23 1.478 16.280 6.090 1.00 0.00 C ATOM 0 H ALA B 23 1.740 18.237 4.620 1.00 0.00 H new ATOM 0 HA ALA B 23 1.816 15.476 4.138 1.00 0.00 H new ATOM 0 HB1 ALA B 23 1.266 15.312 6.545 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.530 16.526 6.233 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.860 17.045 6.559 1.00 0.00 H new ATOM 1220 N ALA B 24 -1.197 16.728 4.508 1.00 0.00 N ATOM 1221 CA ALA B 24 -2.609 16.430 4.303 1.00 0.00 C ATOM 1222 C ALA B 24 -2.842 15.978 2.872 1.00 0.00 C ATOM 1223 O ALA B 24 -3.368 14.890 2.634 1.00 0.00 O ATOM 1224 CB ALA B 24 -3.467 17.642 4.633 1.00 0.00 C ATOM 0 H ALA B 24 -0.998 17.697 4.755 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.898 15.622 4.975 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.517 17.399 4.473 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.314 17.923 5.675 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.185 18.474 3.987 1.00 0.00 H new ATOM 1230 N THR B 25 -2.417 16.800 1.916 1.00 0.00 N ATOM 1231 CA THR B 25 -2.552 16.461 0.513 1.00 0.00 C ATOM 1232 C THR B 25 -1.988 15.069 0.280 1.00 0.00 C ATOM 1233 O THR B 25 -2.614 14.230 -0.365 1.00 0.00 O ATOM 1234 CB THR B 25 -1.818 17.489 -0.346 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.459 17.583 0.036 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.414 18.878 -0.264 1.00 0.00 C ATOM 0 H THR B 25 -1.977 17.703 2.093 1.00 0.00 H new ATOM 0 HA THR B 25 -3.605 16.471 0.232 1.00 0.00 H new ATOM 0 HB THR B 25 -1.918 17.130 -1.370 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.364 17.319 0.975 1.00 0.00 H new ATOM 0 HG21 THR B 25 -1.844 19.557 -0.898 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.450 18.850 -0.602 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.378 19.229 0.767 1.00 0.00 H new ATOM 1244 N ALA B 26 -0.811 14.822 0.853 1.00 0.00 N ATOM 1245 CA ALA B 26 -0.181 13.517 0.747 1.00 0.00 C ATOM 1246 C ALA B 26 -1.103 12.467 1.347 1.00 0.00 C ATOM 1247 O ALA B 26 -1.446 11.480 0.697 1.00 0.00 O ATOM 1248 CB ALA B 26 1.168 13.517 1.454 1.00 0.00 C ATOM 0 H ALA B 26 -0.281 15.507 1.391 1.00 0.00 H new ATOM 0 HA ALA B 26 -0.007 13.283 -0.303 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.626 12.532 1.365 1.00 0.00 H new ATOM 0 HB2 ALA B 26 1.819 14.262 0.996 1.00 0.00 H new ATOM 0 HB3 ALA B 26 1.027 13.757 2.508 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.520 12.700 2.593 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.424 11.793 3.283 1.00 0.00 C ATOM 1256 C GLU B 27 -3.646 11.493 2.423 1.00 0.00 C ATOM 1257 O GLU B 27 -4.036 10.336 2.260 1.00 0.00 O ATOM 1258 CB GLU B 27 -2.864 12.399 4.618 1.00 0.00 C ATOM 1259 CG GLU B 27 -3.812 11.513 5.407 1.00 0.00 C ATOM 1260 CD GLU B 27 -4.240 12.141 6.719 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -3.356 12.422 7.557 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -5.456 12.351 6.907 1.00 0.00 O ATOM 0 H GLU B 27 -1.242 13.513 3.142 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.893 10.860 3.472 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -1.981 12.601 5.224 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -3.348 13.357 4.430 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -4.695 11.304 4.803 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -3.328 10.557 5.607 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.244 12.544 1.869 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.417 12.396 1.020 1.00 0.00 C ATOM 1271 C LYS B 28 -5.079 11.584 -0.222 1.00 0.00 C ATOM 1272 O LYS B 28 -5.820 10.679 -0.606 1.00 0.00 O ATOM 1273 CB LYS B 28 -5.962 13.766 0.613 1.00 0.00 C ATOM 1274 CG LYS B 28 -6.420 14.606 1.792 1.00 0.00 C ATOM 1275 CD LYS B 28 -7.448 13.865 2.626 1.00 0.00 C ATOM 1276 CE LYS B 28 -7.932 14.708 3.794 1.00 0.00 C ATOM 1277 NZ LYS B 28 -8.552 15.986 3.342 1.00 0.00 N ATOM 0 H LYS B 28 -3.933 13.507 1.994 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.182 11.868 1.588 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.190 14.309 0.068 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.799 13.627 -0.072 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.562 14.865 2.413 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -6.846 15.542 1.431 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.296 13.589 1.999 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.014 12.938 3.001 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.657 14.139 4.376 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -7.094 14.926 4.456 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.089 16.408 4.126 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -7.807 16.645 3.038 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -9.193 15.798 2.545 1.00 0.00 H new ATOM 1291 N VAL B 29 -3.949 11.908 -0.839 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.510 11.201 -2.030 1.00 0.00 C ATOM 1293 C VAL B 29 -3.335 9.720 -1.733 1.00 0.00 C ATOM 1294 O VAL B 29 -3.709 8.867 -2.537 1.00 0.00 O ATOM 1295 CB VAL B 29 -2.187 11.780 -2.570 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -1.708 10.997 -3.781 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -2.348 13.253 -2.911 1.00 0.00 C ATOM 0 H VAL B 29 -3.324 12.654 -0.534 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.279 11.329 -2.792 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.432 11.689 -1.789 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.773 11.424 -4.144 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.547 9.956 -3.501 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -2.460 11.048 -4.568 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.404 13.644 -3.290 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -3.120 13.368 -3.672 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.635 13.804 -2.016 1.00 0.00 H new ATOM 1307 N VAL B 30 -2.792 9.423 -0.561 1.00 0.00 N ATOM 1308 CA VAL B 30 -2.605 8.044 -0.153 1.00 0.00 C ATOM 1309 C VAL B 30 -3.969 7.383 0.007 1.00 0.00 C ATOM 1310 O VAL B 30 -4.207 6.293 -0.510 1.00 0.00 O ATOM 1311 CB VAL B 30 -1.817 7.949 1.167 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -1.591 6.495 1.558 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -0.491 8.685 1.050 1.00 0.00 C ATOM 0 H VAL B 30 -2.476 10.115 0.118 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.027 7.530 -0.921 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.406 8.423 1.952 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.033 6.452 2.493 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.553 5.999 1.687 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -1.025 5.991 0.774 1.00 0.00 H new ATOM 0 HG21 VAL B 30 0.052 8.608 1.992 1.00 0.00 H new ATOM 0 HG22 VAL B 30 0.102 8.241 0.251 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -0.676 9.735 0.823 1.00 0.00 H new ATOM 1323 N LYS B 31 -4.877 8.058 0.713 1.00 0.00 N ATOM 1324 CA LYS B 31 -6.226 7.535 0.912 1.00 0.00 C ATOM 1325 C LYS B 31 -6.816 7.084 -0.411 1.00 0.00 C ATOM 1326 O LYS B 31 -7.301 5.962 -0.540 1.00 0.00 O ATOM 1327 CB LYS B 31 -7.139 8.590 1.532 1.00 0.00 C ATOM 1328 CG LYS B 31 -6.804 8.921 2.973 1.00 0.00 C ATOM 1329 CD LYS B 31 -7.710 10.009 3.527 1.00 0.00 C ATOM 1330 CE LYS B 31 -9.132 9.510 3.749 1.00 0.00 C ATOM 1331 NZ LYS B 31 -9.853 9.272 2.467 1.00 0.00 N ATOM 0 H LYS B 31 -4.703 8.962 1.153 1.00 0.00 H new ATOM 0 HA LYS B 31 -6.155 6.686 1.592 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -7.081 9.502 0.937 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.170 8.240 1.480 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -6.899 8.023 3.584 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -5.765 9.244 3.040 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -7.303 10.374 4.470 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -7.726 10.853 2.838 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -9.105 8.585 4.325 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -9.682 10.240 4.343 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -10.869 9.451 2.602 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -9.483 9.913 1.736 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -9.712 8.286 2.167 1.00 0.00 H new ATOM 1345 N GLN B 32 -6.761 7.972 -1.396 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.282 7.669 -2.718 1.00 0.00 C ATOM 1347 C GLN B 32 -6.544 6.471 -3.301 1.00 0.00 C ATOM 1348 O GLN B 32 -7.138 5.617 -3.958 1.00 0.00 O ATOM 1349 CB GLN B 32 -7.155 8.888 -3.622 1.00 0.00 C ATOM 1350 CG GLN B 32 -7.665 8.661 -5.039 1.00 0.00 C ATOM 1351 CD GLN B 32 -7.704 9.930 -5.879 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -7.455 11.084 -5.259 1.00 0.00 O flip ATOM 1353 NE2 GLN B 32 -7.973 9.877 -7.080 1.00 0.00 N flip ATOM 0 H GLN B 32 -6.361 8.906 -1.302 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.339 7.415 -2.642 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.705 9.717 -3.177 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -6.108 9.187 -3.667 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -7.028 7.927 -5.533 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -8.667 8.234 -4.992 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -8.158 8.977 -7.522 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -8.011 10.734 -7.632 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.244 6.408 -3.029 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.407 5.308 -3.494 1.00 0.00 C ATOM 1364 C PHE B 33 -5.040 3.972 -3.098 1.00 0.00 C ATOM 1365 O PHE B 33 -5.326 3.128 -3.943 1.00 0.00 O ATOM 1366 CB PHE B 33 -3.005 5.449 -2.885 1.00 0.00 C ATOM 1367 CG PHE B 33 -1.999 4.479 -3.422 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.504 4.627 -4.705 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.547 3.420 -2.645 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -0.580 3.734 -5.208 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.621 2.528 -3.146 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.141 2.688 -4.430 1.00 0.00 C ATOM 0 H PHE B 33 -4.745 7.112 -2.485 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.324 5.338 -4.580 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.645 6.463 -3.062 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.076 5.320 -1.805 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -1.844 5.448 -5.318 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -1.923 3.294 -1.641 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -0.202 3.856 -6.212 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.273 1.708 -2.536 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.582 1.990 -4.825 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.289 3.822 -1.803 1.00 0.00 N ATOM 1383 CA PHE B 34 -5.921 2.618 -1.273 1.00 0.00 C ATOM 1384 C PHE B 34 -7.388 2.595 -1.659 1.00 0.00 C ATOM 1385 O PHE B 34 -7.952 1.544 -1.965 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.735 2.547 0.236 1.00 0.00 C ATOM 1387 CG PHE B 34 -4.285 2.533 0.598 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.419 1.668 -0.050 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.781 3.394 1.553 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -2.077 1.665 0.245 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.437 3.391 1.860 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.583 2.524 1.200 1.00 0.00 C ATOM 0 H PHE B 34 -5.062 4.522 -1.097 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.446 1.737 -1.705 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -6.222 3.401 0.706 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.219 1.650 0.624 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.803 0.988 -0.796 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.445 4.075 2.064 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.411 0.990 -0.272 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -2.052 4.063 2.613 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.529 2.522 1.435 1.00 0.00 H new ATOM 1402 N ASN B 35 -7.991 3.774 -1.672 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.386 3.923 -2.054 1.00 0.00 C ATOM 1404 C ASN B 35 -9.634 3.208 -3.378 1.00 0.00 C ATOM 1405 O ASN B 35 -10.654 2.548 -3.573 1.00 0.00 O ATOM 1406 CB ASN B 35 -9.713 5.408 -2.209 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.194 5.674 -2.336 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -11.871 5.114 -3.199 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -11.699 6.544 -1.477 1.00 0.00 N ATOM 0 H ASN B 35 -7.531 4.649 -1.420 1.00 0.00 H new ATOM 0 HA ASN B 35 -10.021 3.487 -1.283 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.324 5.952 -1.348 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.202 5.797 -3.090 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -12.691 6.778 -1.512 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -11.096 6.981 -0.780 1.00 0.00 H new ATOM 1416 N ASP B 36 -8.675 3.367 -4.282 1.00 0.00 N ATOM 1417 CA ASP B 36 -8.745 2.760 -5.608 1.00 0.00 C ATOM 1418 C ASP B 36 -8.018 1.414 -5.682 1.00 0.00 C ATOM 1419 O ASP B 36 -8.329 0.596 -6.548 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.180 3.717 -6.658 1.00 0.00 C ATOM 1421 CG ASP B 36 -8.937 5.030 -6.715 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -9.906 5.193 -5.942 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -8.562 5.896 -7.534 1.00 0.00 O ATOM 0 H ASP B 36 -7.831 3.917 -4.119 1.00 0.00 H new ATOM 0 HA ASP B 36 -9.798 2.568 -5.812 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.131 3.915 -6.437 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.215 3.239 -7.637 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.064 1.171 -4.783 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.343 -0.103 -4.797 1.00 0.00 C ATOM 1430 C ASN B 37 -7.172 -1.180 -4.117 1.00 0.00 C ATOM 1431 O ASN B 37 -7.319 -2.283 -4.637 1.00 0.00 O ATOM 1432 CB ASN B 37 -4.981 0.011 -4.099 1.00 0.00 C ATOM 1433 CG ASN B 37 -4.020 0.933 -4.820 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -3.926 0.912 -6.047 1.00 0.00 O ATOM 1435 ND2 ASN B 37 -3.267 1.721 -4.057 1.00 0.00 N ATOM 0 H ASN B 37 -6.777 1.822 -4.052 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.171 -0.373 -5.839 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.130 0.374 -3.082 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.535 -0.981 -4.021 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -2.579 2.340 -4.486 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.378 1.707 -3.043 1.00 0.00 H new ATOM 1442 N GLY B 38 -7.710 -0.824 -2.949 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.540 -1.718 -2.152 1.00 0.00 C ATOM 1444 C GLY B 38 -8.897 -3.041 -2.808 1.00 0.00 C ATOM 1445 O GLY B 38 -8.032 -3.886 -3.044 1.00 0.00 O ATOM 0 H GLY B 38 -7.579 0.097 -2.531 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -8.023 -1.925 -1.215 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.464 -1.198 -1.898 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.190 -3.245 -3.028 1.00 0.00 N ATOM 1450 CA VAL B 39 -10.688 -4.502 -3.581 1.00 0.00 C ATOM 1451 C VAL B 39 -11.250 -4.379 -4.996 1.00 0.00 C ATOM 1452 O VAL B 39 -11.782 -5.352 -5.530 1.00 0.00 O ATOM 1453 CB VAL B 39 -11.809 -5.056 -2.692 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -12.215 -6.457 -3.130 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -11.395 -5.042 -1.228 1.00 0.00 C ATOM 0 H VAL B 39 -10.916 -2.555 -2.832 1.00 0.00 H new ATOM 0 HA VAL B 39 -9.823 -5.164 -3.617 1.00 0.00 H new ATOM 0 HB VAL B 39 -12.678 -4.407 -2.804 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -13.011 -6.824 -2.482 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -12.570 -6.428 -4.160 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -11.355 -7.123 -3.061 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -12.205 -5.439 -0.617 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -10.505 -5.658 -1.096 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -11.177 -4.019 -0.921 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.153 -3.212 -5.612 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.684 -3.041 -6.967 1.00 0.00 C ATOM 1467 C ASP B 40 -10.626 -2.510 -7.934 1.00 0.00 C ATOM 1468 O ASP B 40 -10.951 -2.107 -9.052 1.00 0.00 O ATOM 1469 CB ASP B 40 -12.885 -2.094 -6.945 1.00 0.00 C ATOM 1470 CG ASP B 40 -14.015 -2.612 -6.078 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -14.532 -3.710 -6.370 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -14.382 -1.920 -5.105 1.00 0.00 O ATOM 0 H ASP B 40 -10.721 -2.380 -5.210 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.995 -4.024 -7.321 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.568 -1.118 -6.578 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -13.249 -1.949 -7.962 1.00 0.00 H new ATOM 1477 N GLY B 41 -9.367 -2.504 -7.508 1.00 0.00 N ATOM 1478 CA GLY B 41 -8.301 -2.010 -8.364 1.00 0.00 C ATOM 1479 C GLY B 41 -7.823 -3.040 -9.371 1.00 0.00 C ATOM 1480 O GLY B 41 -8.273 -4.187 -9.359 1.00 0.00 O ATOM 0 H GLY B 41 -9.065 -2.830 -6.590 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -8.650 -1.125 -8.896 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.460 -1.698 -7.744 1.00 0.00 H new ATOM 1484 N GLU B 42 -6.905 -2.628 -10.241 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.354 -3.515 -11.262 1.00 0.00 C ATOM 1486 C GLU B 42 -5.058 -4.151 -10.768 1.00 0.00 C ATOM 1487 O GLU B 42 -3.995 -3.525 -10.802 1.00 0.00 O ATOM 1488 CB GLU B 42 -6.097 -2.742 -12.555 1.00 0.00 C ATOM 1489 CG GLU B 42 -7.345 -2.098 -13.138 1.00 0.00 C ATOM 1490 CD GLU B 42 -7.066 -1.333 -14.418 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -5.895 -1.305 -14.852 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -8.020 -0.761 -14.986 1.00 0.00 O ATOM 0 H GLU B 42 -6.525 -1.681 -10.259 1.00 0.00 H new ATOM 0 HA GLU B 42 -7.079 -4.304 -11.462 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.354 -1.968 -12.364 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.669 -3.419 -13.294 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -8.089 -2.870 -13.336 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -7.777 -1.420 -12.402 1.00 0.00 H new ATOM 1499 N TRP B 43 -5.158 -5.385 -10.281 1.00 0.00 N ATOM 1500 CA TRP B 43 -4.002 -6.096 -9.748 1.00 0.00 C ATOM 1501 C TRP B 43 -3.330 -6.994 -10.783 1.00 0.00 C ATOM 1502 O TRP B 43 -3.911 -7.982 -11.234 1.00 0.00 O ATOM 1503 CB TRP B 43 -4.425 -6.958 -8.561 1.00 0.00 C ATOM 1504 CG TRP B 43 -4.980 -6.177 -7.413 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -5.949 -5.219 -7.457 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -4.594 -6.298 -6.046 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -6.191 -4.738 -6.193 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -5.369 -5.386 -5.307 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.666 -7.094 -5.375 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -5.241 -5.250 -3.929 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -3.538 -6.958 -4.010 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -4.322 -6.043 -3.297 1.00 0.00 C ATOM 0 H TRP B 43 -6.030 -5.913 -10.245 1.00 0.00 H new ATOM 0 HA TRP B 43 -3.283 -5.336 -9.444 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -5.174 -7.677 -8.895 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -3.565 -7.531 -8.216 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -6.452 -4.887 -8.353 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -6.871 -4.017 -5.953 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -3.058 -7.804 -5.916 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.845 -4.544 -3.378 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -2.821 -7.568 -3.481 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -4.199 -5.961 -2.227 1.00 0.00 H new ATOM 1523 N THR B 44 -2.091 -6.663 -11.129 1.00 0.00 N ATOM 1524 CA THR B 44 -1.319 -7.457 -12.076 1.00 0.00 C ATOM 1525 C THR B 44 -0.198 -8.183 -11.333 1.00 0.00 C ATOM 1526 O THR B 44 0.452 -7.602 -10.466 1.00 0.00 O ATOM 1527 CB THR B 44 -0.743 -6.570 -13.180 1.00 0.00 C ATOM 1528 OG1 THR B 44 0.051 -5.536 -12.628 1.00 0.00 O ATOM 1529 CG2 THR B 44 -1.804 -5.921 -14.042 1.00 0.00 C ATOM 0 H THR B 44 -1.599 -5.847 -10.766 1.00 0.00 H new ATOM 0 HA THR B 44 -1.975 -8.191 -12.544 1.00 0.00 H new ATOM 0 HB THR B 44 -0.148 -7.236 -13.804 1.00 0.00 H new ATOM 0 HG1 THR B 44 0.628 -5.905 -11.927 1.00 0.00 H new ATOM 0 HG21 THR B 44 -1.327 -5.306 -14.805 1.00 0.00 H new ATOM 0 HG22 THR B 44 -2.405 -6.693 -14.522 1.00 0.00 H new ATOM 0 HG23 THR B 44 -2.445 -5.296 -13.421 1.00 0.00 H new ATOM 1537 N TYR B 45 0.013 -9.456 -11.655 1.00 0.00 N ATOM 1538 CA TYR B 45 1.045 -10.245 -10.986 1.00 0.00 C ATOM 1539 C TYR B 45 2.203 -10.567 -11.928 1.00 0.00 C ATOM 1540 O TYR B 45 2.004 -10.794 -13.121 1.00 0.00 O ATOM 1541 CB TYR B 45 0.434 -11.538 -10.439 1.00 0.00 C ATOM 1542 CG TYR B 45 1.382 -12.365 -9.599 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.323 -11.762 -8.773 1.00 0.00 C ATOM 1544 CD2 TYR B 45 1.332 -13.752 -9.629 1.00 0.00 C ATOM 1545 CE1 TYR B 45 3.188 -12.517 -8.003 1.00 0.00 C ATOM 1546 CE2 TYR B 45 2.193 -14.515 -8.862 1.00 0.00 C ATOM 1547 CZ TYR B 45 3.118 -13.893 -8.052 1.00 0.00 C ATOM 1548 OH TYR B 45 3.975 -14.650 -7.286 1.00 0.00 O ATOM 0 H TYR B 45 -0.512 -9.961 -12.369 1.00 0.00 H new ATOM 0 HA TYR B 45 1.444 -9.653 -10.162 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.441 -11.288 -9.839 1.00 0.00 H new ATOM 0 HB3 TYR B 45 0.085 -12.144 -11.275 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.380 -10.684 -8.732 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.608 -14.243 -10.262 1.00 0.00 H new ATOM 0 HE1 TYR B 45 3.914 -12.032 -7.367 1.00 0.00 H new ATOM 0 HE2 TYR B 45 2.141 -15.593 -8.898 1.00 0.00 H new ATOM 0 HH TYR B 45 3.794 -15.601 -7.436 1.00 0.00 H new ATOM 1558 N ASP B 46 3.416 -10.590 -11.376 1.00 0.00 N ATOM 1559 CA ASP B 46 4.613 -10.889 -12.153 1.00 0.00 C ATOM 1560 C ASP B 46 5.363 -12.078 -11.555 1.00 0.00 C ATOM 1561 O ASP B 46 6.320 -11.905 -10.800 1.00 0.00 O ATOM 1562 CB ASP B 46 5.530 -9.664 -12.207 1.00 0.00 C ATOM 1563 CG ASP B 46 6.780 -9.912 -13.026 1.00 0.00 C ATOM 1564 OD1 ASP B 46 6.651 -10.215 -14.230 1.00 0.00 O ATOM 1565 OD2 ASP B 46 7.890 -9.802 -12.464 1.00 0.00 O ATOM 0 H ASP B 46 3.593 -10.404 -10.389 1.00 0.00 H new ATOM 0 HA ASP B 46 4.306 -11.148 -13.167 1.00 0.00 H new ATOM 0 HB2 ASP B 46 4.982 -8.822 -12.631 1.00 0.00 H new ATOM 0 HB3 ASP B 46 5.814 -9.381 -11.193 1.00 0.00 H new ATOM 1570 N ASP B 47 4.915 -13.284 -11.893 1.00 0.00 N ATOM 1571 CA ASP B 47 5.533 -14.511 -11.388 1.00 0.00 C ATOM 1572 C ASP B 47 7.058 -14.457 -11.483 1.00 0.00 C ATOM 1573 O ASP B 47 7.761 -15.000 -10.632 1.00 0.00 O ATOM 1574 CB ASP B 47 5.016 -15.722 -12.169 1.00 0.00 C ATOM 1575 CG ASP B 47 3.507 -15.856 -12.107 1.00 0.00 C ATOM 1576 OD1 ASP B 47 2.858 -14.994 -11.479 1.00 0.00 O ATOM 1577 OD2 ASP B 47 2.973 -16.823 -12.691 1.00 0.00 O ATOM 0 H ASP B 47 4.123 -13.440 -12.517 1.00 0.00 H new ATOM 0 HA ASP B 47 5.261 -14.606 -10.337 1.00 0.00 H new ATOM 0 HB2 ASP B 47 5.327 -15.638 -13.210 1.00 0.00 H new ATOM 0 HB3 ASP B 47 5.474 -16.628 -11.772 1.00 0.00 H new ATOM 1582 N ALA B 48 7.558 -13.820 -12.536 1.00 0.00 N ATOM 1583 CA ALA B 48 8.997 -13.716 -12.762 1.00 0.00 C ATOM 1584 C ALA B 48 9.745 -13.234 -11.520 1.00 0.00 C ATOM 1585 O ALA B 48 10.886 -13.630 -11.284 1.00 0.00 O ATOM 1586 CB ALA B 48 9.276 -12.786 -13.933 1.00 0.00 C ATOM 0 H ALA B 48 6.987 -13.366 -13.249 1.00 0.00 H new ATOM 0 HA ALA B 48 9.362 -14.717 -12.993 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.352 -12.715 -14.093 1.00 0.00 H new ATOM 0 HB2 ALA B 48 8.800 -13.179 -14.831 1.00 0.00 H new ATOM 0 HB3 ALA B 48 8.876 -11.796 -13.715 1.00 0.00 H new ATOM 1592 N THR B 49 9.106 -12.377 -10.732 1.00 0.00 N ATOM 1593 CA THR B 49 9.735 -11.851 -9.522 1.00 0.00 C ATOM 1594 C THR B 49 8.842 -12.029 -8.296 1.00 0.00 C ATOM 1595 O THR B 49 9.060 -11.386 -7.269 1.00 0.00 O ATOM 1596 CB THR B 49 10.071 -10.370 -9.706 1.00 0.00 C ATOM 1597 OG1 THR B 49 8.900 -9.619 -9.973 1.00 0.00 O ATOM 1598 CG2 THR B 49 11.048 -10.110 -10.834 1.00 0.00 C ATOM 0 H THR B 49 8.161 -12.033 -10.905 1.00 0.00 H new ATOM 0 HA THR B 49 10.651 -12.417 -9.355 1.00 0.00 H new ATOM 0 HB THR B 49 10.534 -10.063 -8.768 1.00 0.00 H new ATOM 0 HG1 THR B 49 8.689 -9.671 -10.929 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.242 -9.040 -10.908 1.00 0.00 H new ATOM 0 HG22 THR B 49 11.982 -10.635 -10.634 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.624 -10.468 -11.772 1.00 0.00 H new ATOM 1606 N LYS B 50 7.834 -12.893 -8.402 1.00 0.00 N ATOM 1607 CA LYS B 50 6.917 -13.130 -7.289 1.00 0.00 C ATOM 1608 C LYS B 50 6.427 -11.808 -6.706 1.00 0.00 C ATOM 1609 O LYS B 50 6.254 -11.676 -5.491 1.00 0.00 O ATOM 1610 CB LYS B 50 7.603 -13.950 -6.191 1.00 0.00 C ATOM 1611 CG LYS B 50 7.854 -15.402 -6.567 1.00 0.00 C ATOM 1612 CD LYS B 50 6.551 -16.161 -6.754 1.00 0.00 C ATOM 1613 CE LYS B 50 6.794 -17.650 -6.946 1.00 0.00 C ATOM 1614 NZ LYS B 50 7.643 -17.928 -8.139 1.00 0.00 N ATOM 0 H LYS B 50 7.632 -13.437 -9.241 1.00 0.00 H new ATOM 0 HA LYS B 50 6.063 -13.689 -7.671 1.00 0.00 H new ATOM 0 HB2 LYS B 50 8.555 -13.480 -5.942 1.00 0.00 H new ATOM 0 HB3 LYS B 50 6.988 -13.920 -5.292 1.00 0.00 H new ATOM 0 HG2 LYS B 50 8.437 -15.445 -7.487 1.00 0.00 H new ATOM 0 HG3 LYS B 50 8.448 -15.883 -5.790 1.00 0.00 H new ATOM 0 HD2 LYS B 50 5.910 -16.005 -5.886 1.00 0.00 H new ATOM 0 HD3 LYS B 50 6.019 -15.764 -7.618 1.00 0.00 H new ATOM 0 HE2 LYS B 50 7.275 -18.057 -6.056 1.00 0.00 H new ATOM 0 HE3 LYS B 50 5.838 -18.162 -7.054 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 7.673 -18.953 -8.313 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 7.242 -17.447 -8.970 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 8.607 -17.578 -7.968 1.00 0.00 H new ATOM 1628 N THR B 51 6.226 -10.825 -7.576 1.00 0.00 N ATOM 1629 CA THR B 51 5.777 -9.509 -7.144 1.00 0.00 C ATOM 1630 C THR B 51 4.539 -9.060 -7.912 1.00 0.00 C ATOM 1631 O THR B 51 4.428 -9.272 -9.119 1.00 0.00 O ATOM 1632 CB THR B 51 6.903 -8.492 -7.326 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.038 -8.859 -6.562 1.00 0.00 O ATOM 1634 CG2 THR B 51 6.515 -7.087 -6.922 1.00 0.00 C ATOM 0 H THR B 51 6.367 -10.915 -8.582 1.00 0.00 H new ATOM 0 HA THR B 51 5.510 -9.573 -6.089 1.00 0.00 H new ATOM 0 HB THR B 51 7.125 -8.497 -8.393 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.380 -9.721 -6.878 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.361 -6.417 -7.077 1.00 0.00 H new ATOM 0 HG22 THR B 51 5.672 -6.754 -7.528 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.232 -7.076 -5.870 1.00 0.00 H new ATOM 1642 N PHE B 52 3.612 -8.430 -7.196 1.00 0.00 N ATOM 1643 CA PHE B 52 2.380 -7.938 -7.797 1.00 0.00 C ATOM 1644 C PHE B 52 2.428 -6.419 -7.946 1.00 0.00 C ATOM 1645 O PHE B 52 2.964 -5.723 -7.089 1.00 0.00 O ATOM 1646 CB PHE B 52 1.175 -8.321 -6.934 1.00 0.00 C ATOM 1647 CG PHE B 52 1.099 -9.783 -6.594 1.00 0.00 C ATOM 1648 CD1 PHE B 52 2.020 -10.355 -5.729 1.00 0.00 C ATOM 1649 CD2 PHE B 52 0.102 -10.583 -7.128 1.00 0.00 C ATOM 1650 CE1 PHE B 52 1.948 -11.696 -5.407 1.00 0.00 C ATOM 1651 CE2 PHE B 52 0.026 -11.926 -6.808 1.00 0.00 C ATOM 1652 CZ PHE B 52 0.951 -12.483 -5.948 1.00 0.00 C ATOM 0 H PHE B 52 3.693 -8.249 -6.196 1.00 0.00 H new ATOM 0 HA PHE B 52 2.279 -8.394 -8.782 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.208 -7.746 -6.009 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.262 -8.033 -7.456 1.00 0.00 H new ATOM 0 HD1 PHE B 52 2.802 -9.745 -5.302 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.624 -10.153 -7.802 1.00 0.00 H new ATOM 0 HE1 PHE B 52 2.671 -12.129 -4.732 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -0.757 -12.539 -7.231 1.00 0.00 H new ATOM 0 HZ PHE B 52 0.895 -13.532 -5.699 1.00 0.00 H new ATOM 1662 N THR B 53 1.841 -5.908 -9.021 1.00 0.00 N ATOM 1663 CA THR B 53 1.800 -4.468 -9.253 1.00 0.00 C ATOM 1664 C THR B 53 0.365 -3.959 -9.236 1.00 0.00 C ATOM 1665 O THR B 53 -0.490 -4.444 -9.978 1.00 0.00 O ATOM 1666 CB THR B 53 2.480 -4.093 -10.573 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.182 -5.039 -11.584 1.00 0.00 O ATOM 1668 CG2 THR B 53 3.985 -3.970 -10.466 1.00 0.00 C ATOM 0 H THR B 53 1.388 -6.466 -9.744 1.00 0.00 H new ATOM 0 HA THR B 53 2.351 -3.990 -8.443 1.00 0.00 H new ATOM 0 HB THR B 53 2.079 -3.113 -10.831 1.00 0.00 H new ATOM 0 HG1 THR B 53 1.516 -4.664 -12.197 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.398 -3.702 -11.438 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.236 -3.197 -9.740 1.00 0.00 H new ATOM 0 HG23 THR B 53 4.406 -4.922 -10.143 1.00 0.00 H new ATOM 1676 N VAL B 54 0.114 -2.974 -8.385 1.00 0.00 N ATOM 1677 CA VAL B 54 -1.211 -2.384 -8.265 1.00 0.00 C ATOM 1678 C VAL B 54 -1.221 -0.985 -8.864 1.00 0.00 C ATOM 1679 O VAL B 54 -0.597 -0.066 -8.332 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.666 -2.320 -6.795 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -3.089 -1.789 -6.693 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.553 -3.688 -6.142 1.00 0.00 C ATOM 0 H VAL B 54 0.814 -2.566 -7.765 1.00 0.00 H new ATOM 0 HA VAL B 54 -1.907 -3.020 -8.812 1.00 0.00 H new ATOM 0 HB VAL B 54 -1.010 -1.631 -6.263 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -3.390 -1.752 -5.646 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -3.135 -0.787 -7.119 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.763 -2.447 -7.241 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -1.879 -3.624 -5.104 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -2.183 -4.399 -6.676 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.516 -4.023 -6.177 1.00 0.00 H new ATOM 1692 N THR B 55 -1.929 -0.826 -9.975 1.00 0.00 N ATOM 1693 CA THR B 55 -2.009 0.468 -10.640 1.00 0.00 C ATOM 1694 C THR B 55 -3.333 1.150 -10.335 1.00 0.00 C ATOM 1695 O THR B 55 -4.393 0.669 -10.734 1.00 0.00 O ATOM 1696 CB THR B 55 -1.830 0.310 -12.149 1.00 0.00 C ATOM 1697 OG1 THR B 55 -0.676 -0.459 -12.437 1.00 0.00 O ATOM 1698 CG2 THR B 55 -1.684 1.634 -12.866 1.00 0.00 C ATOM 0 H THR B 55 -2.453 -1.572 -10.432 1.00 0.00 H new ATOM 0 HA THR B 55 -1.203 1.094 -10.258 1.00 0.00 H new ATOM 0 HB THR B 55 -2.734 -0.186 -12.502 1.00 0.00 H new ATOM 0 HG1 THR B 55 -0.578 -0.551 -13.408 1.00 0.00 H new ATOM 0 HG21 THR B 55 -1.560 1.457 -13.934 1.00 0.00 H new ATOM 0 HG22 THR B 55 -2.576 2.238 -12.699 1.00 0.00 H new ATOM 0 HG23 THR B 55 -0.811 2.162 -12.482 1.00 0.00 H new ATOM 1706 N GLU B 56 -3.273 2.268 -9.617 1.00 0.00 N ATOM 1707 CA GLU B 56 -4.492 2.991 -9.261 1.00 0.00 C ATOM 1708 C GLU B 56 -5.117 3.640 -10.492 1.00 0.00 C ATOM 1709 O GLU B 56 -4.362 3.983 -11.427 1.00 0.00 O ATOM 1710 CB GLU B 56 -4.218 4.053 -8.188 1.00 0.00 C ATOM 1711 CG GLU B 56 -3.493 5.287 -8.700 1.00 0.00 C ATOM 1712 CD GLU B 56 -3.401 6.382 -7.653 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -3.925 6.184 -6.537 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -2.807 7.439 -7.950 1.00 0.00 O ATOM 1715 OXT GLU B 56 -6.355 3.798 -10.513 1.00 0.00 O ATOM 0 H GLU B 56 -2.409 2.688 -9.275 1.00 0.00 H new ATOM 0 HA GLU B 56 -5.195 2.265 -8.852 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -5.166 4.360 -7.747 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -3.626 3.603 -7.391 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -2.489 5.008 -9.019 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -4.012 5.671 -9.578 1.00 0.00 H new TER 1722 GLU B 56