USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 844 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 49 THR OG1 : rot -78:sc= 1.2 USER MOD Set 1.2: B 51 THR OG1 : rot 57:sc= 0.305 USER MOD Set 2.1: B 44 THR OG1 : rot -16:sc= 2.08 USER MOD Set 2.2: B 53 THR OG1 : rot 92:sc= 0.892 USER MOD Set 3.1: A 49 THR OG1 : rot -78:sc= 1.2 USER MOD Set 3.2: A 51 THR OG1 : rot 57:sc= 0.303 USER MOD Set 4.1: A 44 THR OG1 : rot -15:sc= 1.91 USER MOD Set 4.2: A 53 THR OG1 : rot 93:sc= 0.946 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0.118 (180deg=0.118) USER MOD Single : A 2 GLN : amide:sc= -2.2 K(o=-2.2,f=-12!) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN :FLIP amide:sc= -1.25 F(o=-4.3!,f=-1.2) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -140:sc= -1.53 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -160:sc= -5.46! USER MOD Single : A 17 THR OG1 : rot -13:sc= 0.324 USER MOD Single : A 18 THR OG1 : rot 35:sc= 0.821 USER MOD Single : A 25 THR OG1 : rot -33:sc= 0.00502! USER MOD Single : A 28 LYS NZ :NH3+ 168:sc= -0.0459 (180deg=-0.235) USER MOD Single : A 31 LYS NZ :NH3+ -131:sc= -2.98! (180deg=-5.67!) USER MOD Single : A 32 GLN :FLIP amide:sc= -1.33 F(o=-3,f=-1.3) USER MOD Single : A 35 ASN : amide:sc= -4.71! C(o=-4.7!,f=-4.4!) USER MOD Single : A 37 ASN : amide:sc= -3 X(o=-3,f=-2.7) USER MOD Single : A 45 TYR OH : rot 180:sc= -0.675 USER MOD Single : A 50 LYS NZ :NH3+ -174:sc=-0.00272 (180deg=-0.0684) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -179:sc= 0.114 (180deg=0.114) USER MOD Single : B 2 GLN : amide:sc= -2.22 K(o=-2.2,f=-12!) USER MOD Single : B 3 TYR OH : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 ASN :FLIP amide:sc= -1.24 F(o=-4.3!,f=-1.2) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot -130:sc= -1.55 USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 THR OG1 : rot 179:sc= -5.61! USER MOD Single : B 17 THR OG1 : rot -23:sc= 0.297 USER MOD Single : B 18 THR OG1 : rot 35:sc= 0.84 USER MOD Single : B 25 THR OG1 : rot -32:sc= -0.114! USER MOD Single : B 28 LYS NZ :NH3+ 168:sc= -0.0378 (180deg=-0.244) USER MOD Single : B 31 LYS NZ :NH3+ -133:sc= -2.91! (180deg=-5.63!) USER MOD Single : B 32 GLN :FLIP amide:sc= -1.3 F(o=-3,f=-1.3) USER MOD Single : B 35 ASN : amide:sc= -4.71! C(o=-4.7!,f=-4.4!) USER MOD Single : B 37 ASN : amide:sc= -2.97 X(o=-3,f=-2.8) USER MOD Single : B 45 TYR OH : rot 180:sc= -0.679 USER MOD Single : B 50 LYS NZ :NH3+ -173:sc= -0.0027 (180deg=-0.0766) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.535 -18.664 2.254 1.00 0.00 N ATOM 2 CA MET A 1 6.379 -17.940 1.269 1.00 0.00 C ATOM 3 C MET A 1 6.222 -16.428 1.411 1.00 0.00 C ATOM 4 O MET A 1 5.158 -15.937 1.792 1.00 0.00 O ATOM 5 CB MET A 1 5.974 -18.383 -0.140 1.00 0.00 C ATOM 6 CG MET A 1 6.750 -17.688 -1.246 1.00 0.00 C ATOM 7 SD MET A 1 8.524 -18.008 -1.160 1.00 0.00 S ATOM 8 CE MET A 1 9.100 -17.098 -2.592 1.00 0.00 C ATOM 0 H1 MET A 1 5.676 -19.689 2.145 1.00 0.00 H new ATOM 0 H2 MET A 1 5.803 -18.378 3.217 1.00 0.00 H new ATOM 0 H3 MET A 1 4.534 -18.432 2.090 1.00 0.00 H new ATOM 0 HA MET A 1 7.426 -18.179 1.453 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.119 -19.460 -0.228 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.910 -18.192 -0.280 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.372 -18.019 -2.213 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.576 -16.614 -1.187 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.182 -17.199 -2.676 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.628 -17.496 -3.490 1.00 0.00 H new ATOM 0 HE3 MET A 1 8.841 -16.045 -2.482 1.00 0.00 H new ATOM 20 N GLN A 2 7.284 -15.698 1.095 1.00 0.00 N ATOM 21 CA GLN A 2 7.271 -14.243 1.178 1.00 0.00 C ATOM 22 C GLN A 2 7.105 -13.627 -0.205 1.00 0.00 C ATOM 23 O GLN A 2 7.745 -14.056 -1.165 1.00 0.00 O ATOM 24 CB GLN A 2 8.562 -13.735 1.821 1.00 0.00 C ATOM 25 CG GLN A 2 8.633 -12.221 1.940 1.00 0.00 C ATOM 26 CD GLN A 2 7.522 -11.651 2.801 1.00 0.00 C ATOM 27 OE1 GLN A 2 6.340 -11.829 2.509 1.00 0.00 O ATOM 28 NE2 GLN A 2 7.899 -10.962 3.872 1.00 0.00 N ATOM 0 H GLN A 2 8.170 -16.092 0.777 1.00 0.00 H new ATOM 0 HA GLN A 2 6.425 -13.945 1.797 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.659 -14.173 2.814 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.411 -14.084 1.234 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.597 -11.938 2.363 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.580 -11.779 0.945 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.891 -10.839 4.076 1.00 0.00 H new ATOM 0 HE22 GLN A 2 7.197 -10.556 4.490 1.00 0.00 H new ATOM 37 N TYR A 3 6.245 -12.620 -0.306 1.00 0.00 N ATOM 38 CA TYR A 3 6.004 -11.950 -1.578 1.00 0.00 C ATOM 39 C TYR A 3 6.118 -10.441 -1.418 1.00 0.00 C ATOM 40 O TYR A 3 5.754 -9.892 -0.382 1.00 0.00 O ATOM 41 CB TYR A 3 4.623 -12.318 -2.119 1.00 0.00 C ATOM 42 CG TYR A 3 4.442 -13.800 -2.367 1.00 0.00 C ATOM 43 CD1 TYR A 3 4.124 -14.664 -1.327 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.590 -14.333 -3.642 1.00 0.00 C ATOM 45 CE1 TYR A 3 3.958 -16.017 -1.551 1.00 0.00 C ATOM 46 CE2 TYR A 3 4.425 -15.684 -3.872 1.00 0.00 C ATOM 47 CZ TYR A 3 4.110 -16.522 -2.824 1.00 0.00 C ATOM 48 OH TYR A 3 3.945 -17.870 -3.051 1.00 0.00 O ATOM 0 H TYR A 3 5.704 -12.250 0.476 1.00 0.00 H new ATOM 0 HA TYR A 3 6.760 -12.282 -2.289 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.864 -11.982 -1.412 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.452 -11.779 -3.051 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.005 -14.272 -0.328 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.838 -13.680 -4.466 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.710 -16.676 -0.732 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.542 -16.083 -4.869 1.00 0.00 H new ATOM 0 HH TYR A 3 4.086 -18.061 -4.002 1.00 0.00 H new ATOM 58 N LYS A 4 6.621 -9.774 -2.453 1.00 0.00 N ATOM 59 CA LYS A 4 6.775 -8.325 -2.418 1.00 0.00 C ATOM 60 C LYS A 4 5.828 -7.663 -3.409 1.00 0.00 C ATOM 61 O LYS A 4 5.993 -7.787 -4.620 1.00 0.00 O ATOM 62 CB LYS A 4 8.221 -7.933 -2.728 1.00 0.00 C ATOM 63 CG LYS A 4 8.466 -6.432 -2.679 1.00 0.00 C ATOM 64 CD LYS A 4 9.941 -6.102 -2.845 1.00 0.00 C ATOM 65 CE LYS A 4 10.490 -6.621 -4.165 1.00 0.00 C ATOM 66 NZ LYS A 4 11.942 -6.319 -4.320 1.00 0.00 N ATOM 0 H LYS A 4 6.927 -10.212 -3.322 1.00 0.00 H new ATOM 0 HA LYS A 4 6.527 -7.979 -1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.883 -8.425 -2.016 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.486 -8.304 -3.718 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.892 -5.943 -3.466 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.108 -6.035 -1.729 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.080 -5.022 -2.793 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.506 -6.536 -2.020 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.335 -7.698 -4.224 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.936 -6.173 -4.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.278 -6.689 -5.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 12.088 -5.290 -4.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.474 -6.767 -3.547 1.00 0.00 H new ATOM 80 N VAL A 5 4.831 -6.963 -2.886 1.00 0.00 N ATOM 81 CA VAL A 5 3.852 -6.292 -3.726 1.00 0.00 C ATOM 82 C VAL A 5 4.247 -4.841 -3.977 1.00 0.00 C ATOM 83 O VAL A 5 4.585 -4.101 -3.055 1.00 0.00 O ATOM 84 CB VAL A 5 2.447 -6.341 -3.088 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.417 -5.646 -3.970 1.00 0.00 C ATOM 86 CG2 VAL A 5 2.039 -7.781 -2.818 1.00 0.00 C ATOM 0 H VAL A 5 4.680 -6.846 -1.884 1.00 0.00 H new ATOM 0 HA VAL A 5 3.826 -6.821 -4.679 1.00 0.00 H new ATOM 0 HB VAL A 5 2.487 -5.806 -2.139 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.437 -5.697 -3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.700 -4.602 -4.107 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.376 -6.141 -4.940 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.046 -7.800 -2.368 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.023 -8.337 -3.756 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.755 -8.240 -2.136 1.00 0.00 H new ATOM 96 N ILE A 6 4.194 -4.451 -5.244 1.00 0.00 N ATOM 97 CA ILE A 6 4.534 -3.095 -5.645 1.00 0.00 C ATOM 98 C ILE A 6 3.269 -2.278 -5.874 1.00 0.00 C ATOM 99 O ILE A 6 2.378 -2.687 -6.616 1.00 0.00 O ATOM 100 CB ILE A 6 5.406 -3.086 -6.919 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.767 -3.714 -6.621 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.581 -1.672 -7.450 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.654 -3.851 -7.841 1.00 0.00 C ATOM 0 H ILE A 6 3.917 -5.060 -6.014 1.00 0.00 H new ATOM 0 HA ILE A 6 5.111 -2.645 -4.837 1.00 0.00 H new ATOM 0 HB ILE A 6 4.902 -3.673 -7.687 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.281 -3.108 -5.875 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.614 -4.700 -6.181 1.00 0.00 H new ATOM 0 HG21 ILE A 6 6.199 -1.694 -8.347 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.605 -1.251 -7.692 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.064 -1.056 -6.692 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.602 -4.304 -7.552 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.161 -4.482 -8.581 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.838 -2.866 -8.269 1.00 0.00 H new ATOM 115 N LEU A 7 3.193 -1.131 -5.215 1.00 0.00 N ATOM 116 CA LEU A 7 2.033 -0.260 -5.327 1.00 0.00 C ATOM 117 C LEU A 7 2.367 0.962 -6.184 1.00 0.00 C ATOM 118 O LEU A 7 2.760 2.008 -5.667 1.00 0.00 O ATOM 119 CB LEU A 7 1.576 0.159 -3.927 1.00 0.00 C ATOM 120 CG LEU A 7 1.643 -0.951 -2.878 1.00 0.00 C ATOM 121 CD1 LEU A 7 1.132 -0.449 -1.536 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.849 -2.165 -3.341 1.00 0.00 C ATOM 0 H LEU A 7 3.924 -0.781 -4.595 1.00 0.00 H new ATOM 0 HA LEU A 7 1.220 -0.797 -5.816 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.191 0.994 -3.593 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.550 0.523 -3.987 1.00 0.00 H new ATOM 0 HG LEU A 7 2.684 -1.250 -2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.187 -1.253 -0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.745 0.389 -1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.097 -0.123 -1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.906 -2.947 -2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.193 -1.882 -3.493 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.265 -2.536 -4.278 1.00 0.00 H new ATOM 134 N ASN A 8 2.227 0.807 -7.502 1.00 0.00 N ATOM 135 CA ASN A 8 2.531 1.882 -8.446 1.00 0.00 C ATOM 136 C ASN A 8 1.320 2.766 -8.731 1.00 0.00 C ATOM 137 O ASN A 8 0.441 2.410 -9.510 1.00 0.00 O ATOM 138 CB ASN A 8 3.055 1.302 -9.765 1.00 0.00 C ATOM 139 CG ASN A 8 4.473 0.751 -9.675 1.00 0.00 C ATOM 140 OD1 ASN A 8 5.112 0.883 -8.515 1.00 0.00 O flip ATOM 141 ND2 ASN A 8 4.995 0.214 -10.651 1.00 0.00 N flip ATOM 0 H ASN A 8 1.904 -0.056 -7.940 1.00 0.00 H new ATOM 0 HA ASN A 8 3.297 2.502 -7.980 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.386 0.506 -10.092 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.025 2.078 -10.530 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.476 0.130 -11.525 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.947 -0.147 -10.586 1.00 0.00 H new ATOM 148 N GLY A 9 1.296 3.933 -8.108 1.00 0.00 N ATOM 149 CA GLY A 9 0.208 4.871 -8.309 1.00 0.00 C ATOM 150 C GLY A 9 0.685 6.186 -8.885 1.00 0.00 C ATOM 151 O GLY A 9 1.819 6.601 -8.646 1.00 0.00 O ATOM 0 H GLY A 9 2.017 4.251 -7.460 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.531 4.430 -8.978 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.292 5.053 -7.358 1.00 0.00 H new ATOM 155 N LYS A 10 -0.178 6.839 -9.653 1.00 0.00 N ATOM 156 CA LYS A 10 0.156 8.113 -10.278 1.00 0.00 C ATOM 157 C LYS A 10 0.856 9.062 -9.299 1.00 0.00 C ATOM 158 O LYS A 10 1.954 9.547 -9.566 1.00 0.00 O ATOM 159 CB LYS A 10 -1.111 8.780 -10.816 1.00 0.00 C ATOM 160 CG LYS A 10 -1.858 7.940 -11.839 1.00 0.00 C ATOM 161 CD LYS A 10 -3.126 8.634 -12.312 1.00 0.00 C ATOM 162 CE LYS A 10 -4.107 8.846 -11.168 1.00 0.00 C ATOM 163 NZ LYS A 10 -5.372 9.476 -11.633 1.00 0.00 N ATOM 0 H LYS A 10 -1.120 6.505 -9.859 1.00 0.00 H new ATOM 0 HA LYS A 10 0.844 7.905 -11.098 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.778 8.998 -9.982 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.844 9.735 -11.269 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.210 7.743 -12.693 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.112 6.974 -11.402 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.871 9.596 -12.757 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.599 8.037 -13.092 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.330 7.888 -10.698 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.646 9.475 -10.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.014 9.604 -10.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.163 10.402 -12.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.825 8.864 -12.341 1.00 0.00 H new ATOM 177 N THR A 11 0.195 9.335 -8.177 1.00 0.00 N ATOM 178 CA THR A 11 0.720 10.240 -7.164 1.00 0.00 C ATOM 179 C THR A 11 1.366 9.488 -6.007 1.00 0.00 C ATOM 180 O THR A 11 1.934 10.102 -5.102 1.00 0.00 O ATOM 181 CB THR A 11 -0.414 11.111 -6.633 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.575 10.333 -6.393 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.796 12.244 -7.565 1.00 0.00 C ATOM 0 H THR A 11 -0.715 8.936 -7.947 1.00 0.00 H new ATOM 0 HA THR A 11 1.489 10.856 -7.630 1.00 0.00 H new ATOM 0 HB THR A 11 -0.033 11.545 -5.709 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.369 10.835 -6.674 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.608 12.821 -7.123 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.066 12.892 -7.722 1.00 0.00 H new ATOM 0 HG23 THR A 11 -1.121 11.834 -8.521 1.00 0.00 H new ATOM 191 N LEU A 12 1.274 8.167 -6.029 1.00 0.00 N ATOM 192 CA LEU A 12 1.848 7.358 -4.967 1.00 0.00 C ATOM 193 C LEU A 12 2.603 6.167 -5.537 1.00 0.00 C ATOM 194 O LEU A 12 2.127 5.505 -6.447 1.00 0.00 O ATOM 195 CB LEU A 12 0.746 6.888 -4.014 1.00 0.00 C ATOM 196 CG LEU A 12 1.220 6.023 -2.856 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.451 6.638 -2.218 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.110 5.854 -1.830 1.00 0.00 C ATOM 0 H LEU A 12 0.810 7.636 -6.766 1.00 0.00 H new ATOM 0 HA LEU A 12 2.558 7.971 -4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.239 7.764 -3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.006 6.328 -4.586 1.00 0.00 H new ATOM 0 HG LEU A 12 1.483 5.036 -3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.783 6.012 -1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.247 6.711 -2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.209 7.633 -1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.466 5.233 -1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.182 6.831 -1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.750 5.377 -2.300 1.00 0.00 H new ATOM 210 N LYS A 13 3.780 5.898 -4.990 1.00 0.00 N ATOM 211 CA LYS A 13 4.598 4.776 -5.443 1.00 0.00 C ATOM 212 C LYS A 13 5.353 4.160 -4.274 1.00 0.00 C ATOM 213 O LYS A 13 5.777 4.867 -3.362 1.00 0.00 O ATOM 214 CB LYS A 13 5.577 5.234 -6.524 1.00 0.00 C ATOM 215 CG LYS A 13 4.895 5.780 -7.768 1.00 0.00 C ATOM 216 CD LYS A 13 5.904 6.236 -8.810 1.00 0.00 C ATOM 217 CE LYS A 13 6.791 7.350 -8.279 1.00 0.00 C ATOM 218 NZ LYS A 13 7.776 7.809 -9.296 1.00 0.00 N ATOM 0 H LYS A 13 4.192 6.440 -4.231 1.00 0.00 H new ATOM 0 HA LYS A 13 3.939 4.018 -5.867 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.229 6.003 -6.110 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.213 4.395 -6.807 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.252 5.012 -8.197 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.253 6.617 -7.493 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.522 5.391 -9.113 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.378 6.582 -9.700 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.171 8.191 -7.969 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.321 7.001 -7.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.361 8.569 -8.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.385 7.013 -9.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.271 8.166 -10.132 1.00 0.00 H new ATOM 232 N GLY A 14 5.525 2.841 -4.302 1.00 0.00 N ATOM 233 CA GLY A 14 6.235 2.177 -3.224 1.00 0.00 C ATOM 234 C GLY A 14 6.341 0.677 -3.403 1.00 0.00 C ATOM 235 O GLY A 14 6.039 0.142 -4.470 1.00 0.00 O ATOM 0 H GLY A 14 5.189 2.226 -5.044 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.238 2.597 -3.147 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.728 2.387 -2.282 1.00 0.00 H new ATOM 239 N GLU A 15 6.772 -0.001 -2.341 1.00 0.00 N ATOM 240 CA GLU A 15 6.922 -1.450 -2.352 1.00 0.00 C ATOM 241 C GLU A 15 6.547 -2.033 -0.994 1.00 0.00 C ATOM 242 O GLU A 15 6.866 -1.461 0.049 1.00 0.00 O ATOM 243 CB GLU A 15 8.359 -1.849 -2.711 1.00 0.00 C ATOM 244 CG GLU A 15 8.814 -1.368 -4.081 1.00 0.00 C ATOM 245 CD GLU A 15 9.132 0.116 -4.116 1.00 0.00 C ATOM 246 OE1 GLU A 15 9.078 0.762 -3.050 1.00 0.00 O ATOM 247 OE2 GLU A 15 9.443 0.627 -5.212 1.00 0.00 O ATOM 0 H GLU A 15 7.025 0.437 -1.455 1.00 0.00 H new ATOM 0 HA GLU A 15 6.251 -1.852 -3.111 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.035 -1.450 -1.955 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.443 -2.935 -2.673 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.698 -1.930 -4.382 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.035 -1.584 -4.812 1.00 0.00 H new ATOM 254 N THR A 16 5.865 -3.169 -1.016 1.00 0.00 N ATOM 255 CA THR A 16 5.434 -3.833 0.208 1.00 0.00 C ATOM 256 C THR A 16 5.644 -5.344 0.120 1.00 0.00 C ATOM 257 O THR A 16 5.950 -5.869 -0.949 1.00 0.00 O ATOM 258 CB THR A 16 3.968 -3.496 0.496 1.00 0.00 C ATOM 259 OG1 THR A 16 3.402 -4.450 1.358 1.00 0.00 O ATOM 260 CG2 THR A 16 3.102 -3.415 -0.742 1.00 0.00 C ATOM 0 H THR A 16 5.596 -3.653 -1.873 1.00 0.00 H new ATOM 0 HA THR A 16 6.044 -3.468 1.034 1.00 0.00 H new ATOM 0 HB THR A 16 3.989 -2.508 0.955 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.425 -4.418 1.285 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.079 -3.173 -0.455 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.486 -2.640 -1.405 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.116 -4.374 -1.259 1.00 0.00 H new ATOM 268 N THR A 17 5.507 -6.041 1.252 1.00 0.00 N ATOM 269 CA THR A 17 5.711 -7.489 1.277 1.00 0.00 C ATOM 270 C THR A 17 4.755 -8.215 2.231 1.00 0.00 C ATOM 271 O THR A 17 4.764 -7.981 3.440 1.00 0.00 O ATOM 272 CB THR A 17 7.156 -7.804 1.663 1.00 0.00 C ATOM 273 OG1 THR A 17 7.472 -7.240 2.925 1.00 0.00 O ATOM 274 CG2 THR A 17 8.166 -7.287 0.662 1.00 0.00 C ATOM 0 H THR A 17 5.259 -5.630 2.152 1.00 0.00 H new ATOM 0 HA THR A 17 5.497 -7.853 0.272 1.00 0.00 H new ATOM 0 HB THR A 17 7.219 -8.892 1.691 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.778 -6.596 3.178 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.172 -7.543 0.995 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.979 -7.741 -0.311 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.076 -6.204 0.580 1.00 0.00 H new ATOM 282 N THR A 18 3.952 -9.117 1.667 1.00 0.00 N ATOM 283 CA THR A 18 2.999 -9.917 2.438 1.00 0.00 C ATOM 284 C THR A 18 3.486 -11.362 2.512 1.00 0.00 C ATOM 285 O THR A 18 4.058 -11.880 1.553 1.00 0.00 O ATOM 286 CB THR A 18 1.615 -9.874 1.784 1.00 0.00 C ATOM 287 OG1 THR A 18 0.674 -10.590 2.564 1.00 0.00 O ATOM 288 CG2 THR A 18 1.594 -10.459 0.387 1.00 0.00 C ATOM 0 H THR A 18 3.943 -9.314 0.666 1.00 0.00 H new ATOM 0 HA THR A 18 2.925 -9.504 3.444 1.00 0.00 H new ATOM 0 HB THR A 18 1.356 -8.817 1.720 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.888 -10.483 3.514 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.584 -10.397 -0.018 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.276 -9.899 -0.252 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.907 -11.503 0.425 1.00 0.00 H new ATOM 296 N GLU A 19 3.251 -12.014 3.642 1.00 0.00 N ATOM 297 CA GLU A 19 3.665 -13.404 3.821 1.00 0.00 C ATOM 298 C GLU A 19 2.464 -14.332 3.699 1.00 0.00 C ATOM 299 O GLU A 19 1.542 -14.272 4.514 1.00 0.00 O ATOM 300 CB GLU A 19 4.339 -13.584 5.184 1.00 0.00 C ATOM 301 CG GLU A 19 4.804 -15.006 5.450 1.00 0.00 C ATOM 302 CD GLU A 19 5.458 -15.162 6.810 1.00 0.00 C ATOM 303 OE1 GLU A 19 5.551 -14.157 7.547 1.00 0.00 O ATOM 304 OE2 GLU A 19 5.878 -16.291 7.140 1.00 0.00 O ATOM 0 H GLU A 19 2.777 -11.607 4.448 1.00 0.00 H new ATOM 0 HA GLU A 19 4.382 -13.658 3.041 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.195 -12.913 5.248 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.642 -13.286 5.967 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.951 -15.682 5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.510 -15.304 4.675 1.00 0.00 H new ATOM 311 N ALA A 20 2.462 -15.184 2.674 1.00 0.00 N ATOM 312 CA ALA A 20 1.352 -16.103 2.459 1.00 0.00 C ATOM 313 C ALA A 20 1.813 -17.422 1.838 1.00 0.00 C ATOM 314 O ALA A 20 2.802 -17.472 1.107 1.00 0.00 O ATOM 315 CB ALA A 20 0.301 -15.443 1.583 1.00 0.00 C ATOM 0 H ALA A 20 3.212 -15.255 1.986 1.00 0.00 H new ATOM 0 HA ALA A 20 0.920 -16.339 3.431 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.527 -16.134 1.425 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.067 -14.542 2.073 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.742 -15.179 0.622 1.00 0.00 H new ATOM 321 N VAL A 21 1.088 -18.489 2.161 1.00 0.00 N ATOM 322 CA VAL A 21 1.406 -19.832 1.671 1.00 0.00 C ATOM 323 C VAL A 21 1.587 -19.859 0.152 1.00 0.00 C ATOM 324 O VAL A 21 2.443 -20.577 -0.364 1.00 0.00 O ATOM 325 CB VAL A 21 0.301 -20.833 2.055 1.00 0.00 C ATOM 326 CG1 VAL A 21 0.720 -22.253 1.705 1.00 0.00 C ATOM 327 CG2 VAL A 21 -0.044 -20.712 3.531 1.00 0.00 C ATOM 0 H VAL A 21 0.268 -18.451 2.766 1.00 0.00 H new ATOM 0 HA VAL A 21 2.346 -20.119 2.142 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.594 -20.595 1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.074 -22.946 1.984 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.904 -22.324 0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.631 -22.508 2.247 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.827 -21.428 3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.843 -20.919 4.130 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.396 -19.702 3.741 1.00 0.00 H new ATOM 337 N ASP A 22 0.784 -19.074 -0.555 1.00 0.00 N ATOM 338 CA ASP A 22 0.875 -19.019 -2.013 1.00 0.00 C ATOM 339 C ASP A 22 0.557 -17.621 -2.532 1.00 0.00 C ATOM 340 O ASP A 22 0.136 -16.746 -1.776 1.00 0.00 O ATOM 341 CB ASP A 22 -0.055 -20.056 -2.650 1.00 0.00 C ATOM 342 CG ASP A 22 -1.520 -19.763 -2.405 1.00 0.00 C ATOM 343 OD1 ASP A 22 -2.012 -18.740 -2.922 1.00 0.00 O ATOM 344 OD2 ASP A 22 -2.175 -20.555 -1.697 1.00 0.00 O ATOM 0 H ASP A 22 0.068 -18.471 -0.150 1.00 0.00 H new ATOM 0 HA ASP A 22 1.901 -19.255 -2.295 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.129 -20.090 -3.724 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.184 -21.043 -2.254 1.00 0.00 H new ATOM 349 N ALA A 23 0.773 -17.415 -3.829 1.00 0.00 N ATOM 350 CA ALA A 23 0.521 -16.120 -4.448 1.00 0.00 C ATOM 351 C ALA A 23 -0.925 -15.689 -4.269 1.00 0.00 C ATOM 352 O ALA A 23 -1.202 -14.530 -3.964 1.00 0.00 O ATOM 353 CB ALA A 23 0.887 -16.161 -5.925 1.00 0.00 C ATOM 0 H ALA A 23 1.121 -18.128 -4.469 1.00 0.00 H new ATOM 0 HA ALA A 23 1.149 -15.382 -3.949 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.694 -15.187 -6.375 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.944 -16.407 -6.031 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.286 -16.919 -6.428 1.00 0.00 H new ATOM 359 N ALA A 24 -1.846 -16.624 -4.453 1.00 0.00 N ATOM 360 CA ALA A 24 -3.263 -16.324 -4.298 1.00 0.00 C ATOM 361 C ALA A 24 -3.549 -15.891 -2.870 1.00 0.00 C ATOM 362 O ALA A 24 -4.073 -14.802 -2.636 1.00 0.00 O ATOM 363 CB ALA A 24 -4.111 -17.529 -4.677 1.00 0.00 C ATOM 0 H ALA A 24 -1.640 -17.590 -4.708 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.524 -15.505 -4.969 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.166 -17.284 -4.554 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.919 -17.797 -5.716 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.856 -18.370 -4.033 1.00 0.00 H new ATOM 369 N THR A 25 -3.168 -16.733 -1.914 1.00 0.00 N ATOM 370 CA THR A 25 -3.353 -16.419 -0.510 1.00 0.00 C ATOM 371 C THR A 25 -2.765 -15.047 -0.225 1.00 0.00 C ATOM 372 O THR A 25 -3.403 -14.202 0.403 1.00 0.00 O ATOM 373 CB THR A 25 -2.680 -17.478 0.359 1.00 0.00 C ATOM 374 OG1 THR A 25 -1.299 -17.562 0.074 1.00 0.00 O ATOM 375 CG2 THR A 25 -3.272 -18.860 0.187 1.00 0.00 C ATOM 0 H THR A 25 -2.730 -17.637 -2.091 1.00 0.00 H new ATOM 0 HA THR A 25 -4.417 -16.411 -0.275 1.00 0.00 H new ATOM 0 HB THR A 25 -2.849 -17.154 1.386 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.149 -17.372 -0.876 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.747 -19.564 0.833 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.328 -18.839 0.455 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.167 -19.174 -0.852 1.00 0.00 H new ATOM 383 N ALA A 26 -1.558 -14.819 -0.733 1.00 0.00 N ATOM 384 CA ALA A 26 -0.903 -13.532 -0.574 1.00 0.00 C ATOM 385 C ALA A 26 -1.779 -12.453 -1.191 1.00 0.00 C ATOM 386 O ALA A 26 -2.137 -11.473 -0.534 1.00 0.00 O ATOM 387 CB ALA A 26 0.474 -13.546 -1.221 1.00 0.00 C ATOM 0 H ALA A 26 -1.018 -15.508 -1.256 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.765 -13.323 0.487 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.947 -12.573 -1.091 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.089 -14.314 -0.752 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.374 -13.761 -2.285 1.00 0.00 H new ATOM 393 N GLU A 27 -2.144 -12.655 -2.457 1.00 0.00 N ATOM 394 CA GLU A 27 -3.005 -11.727 -3.174 1.00 0.00 C ATOM 395 C GLU A 27 -4.238 -11.388 -2.343 1.00 0.00 C ATOM 396 O GLU A 27 -4.585 -10.220 -2.173 1.00 0.00 O ATOM 397 CB GLU A 27 -3.419 -12.347 -4.514 1.00 0.00 C ATOM 398 CG GLU A 27 -4.476 -11.556 -5.268 1.00 0.00 C ATOM 399 CD GLU A 27 -4.070 -10.120 -5.520 1.00 0.00 C ATOM 400 OE1 GLU A 27 -3.019 -9.902 -6.160 1.00 0.00 O ATOM 401 OE2 GLU A 27 -4.808 -9.213 -5.082 1.00 0.00 O ATOM 0 H GLU A 27 -1.851 -13.462 -3.008 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.457 -10.803 -3.359 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.535 -12.444 -5.145 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.795 -13.354 -4.335 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.676 -12.044 -6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.407 -11.571 -4.701 1.00 0.00 H new ATOM 408 N LYS A 28 -4.887 -12.421 -1.816 1.00 0.00 N ATOM 409 CA LYS A 28 -6.071 -12.232 -0.992 1.00 0.00 C ATOM 410 C LYS A 28 -5.713 -11.478 0.281 1.00 0.00 C ATOM 411 O LYS A 28 -6.399 -10.532 0.668 1.00 0.00 O ATOM 412 CB LYS A 28 -6.707 -13.581 -0.650 1.00 0.00 C ATOM 413 CG LYS A 28 -7.126 -14.376 -1.874 1.00 0.00 C ATOM 414 CD LYS A 28 -8.001 -13.545 -2.796 1.00 0.00 C ATOM 415 CE LYS A 28 -8.405 -14.325 -4.037 1.00 0.00 C ATOM 416 NZ LYS A 28 -9.166 -15.557 -3.696 1.00 0.00 N ATOM 0 H LYS A 28 -4.612 -13.395 -1.946 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.794 -11.642 -1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.000 -14.171 -0.067 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.579 -13.414 -0.018 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.240 -14.711 -2.414 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.667 -15.270 -1.563 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.894 -13.225 -2.260 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.466 -12.642 -3.091 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.012 -13.691 -4.683 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.513 -14.594 -4.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.595 -15.950 -4.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.522 -16.259 -3.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.914 -15.325 -3.012 1.00 0.00 H new ATOM 430 N VAL A 29 -4.624 -11.893 0.920 1.00 0.00 N ATOM 431 CA VAL A 29 -4.170 -11.244 2.139 1.00 0.00 C ATOM 432 C VAL A 29 -3.868 -9.777 1.874 1.00 0.00 C ATOM 433 O VAL A 29 -4.199 -8.907 2.680 1.00 0.00 O ATOM 434 CB VAL A 29 -2.916 -11.935 2.713 1.00 0.00 C ATOM 435 CG1 VAL A 29 -2.435 -11.232 3.975 1.00 0.00 C ATOM 436 CG2 VAL A 29 -3.198 -13.405 2.990 1.00 0.00 C ATOM 0 H VAL A 29 -4.043 -12.673 0.613 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.971 -11.324 2.873 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.122 -11.870 1.969 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.550 -11.739 4.359 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.187 -10.196 3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.223 -11.257 4.728 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.303 -13.877 3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.011 -13.490 3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.483 -13.902 2.063 1.00 0.00 H new ATOM 446 N VAL A 30 -3.264 -9.504 0.724 1.00 0.00 N ATOM 447 CA VAL A 30 -2.952 -8.139 0.343 1.00 0.00 C ATOM 448 C VAL A 30 -4.251 -7.378 0.108 1.00 0.00 C ATOM 449 O VAL A 30 -4.450 -6.290 0.642 1.00 0.00 O ATOM 450 CB VAL A 30 -2.083 -8.087 -0.926 1.00 0.00 C ATOM 451 CG1 VAL A 30 -1.702 -6.651 -1.258 1.00 0.00 C ATOM 452 CG2 VAL A 30 -0.841 -8.949 -0.756 1.00 0.00 C ATOM 0 H VAL A 30 -2.983 -10.210 0.043 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.384 -7.679 1.152 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.664 -8.484 -1.758 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.088 -6.636 -2.158 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.605 -6.064 -1.425 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.140 -6.223 -0.428 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.238 -8.901 -1.663 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.257 -8.583 0.088 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.137 -9.982 -0.572 1.00 0.00 H new ATOM 462 N LYS A 31 -5.153 -7.968 -0.681 1.00 0.00 N ATOM 463 CA LYS A 31 -6.444 -7.342 -0.951 1.00 0.00 C ATOM 464 C LYS A 31 -7.094 -6.907 0.353 1.00 0.00 C ATOM 465 O LYS A 31 -7.618 -5.800 0.462 1.00 0.00 O ATOM 466 CB LYS A 31 -7.371 -8.296 -1.707 1.00 0.00 C ATOM 467 CG LYS A 31 -6.987 -8.481 -3.165 1.00 0.00 C ATOM 468 CD LYS A 31 -7.894 -9.476 -3.874 1.00 0.00 C ATOM 469 CE LYS A 31 -9.329 -8.973 -3.975 1.00 0.00 C ATOM 470 NZ LYS A 31 -10.028 -8.990 -2.658 1.00 0.00 N ATOM 0 H LYS A 31 -5.013 -8.869 -1.138 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.274 -6.467 -1.578 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.364 -9.267 -1.211 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.392 -7.918 -1.653 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.034 -7.520 -3.677 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.954 -8.825 -3.227 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.507 -9.670 -4.874 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.880 -10.425 -3.338 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.329 -7.957 -4.371 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.879 -9.591 -4.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.954 -9.451 -2.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.455 -9.516 -1.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.163 -8.014 -2.324 1.00 0.00 H new ATOM 484 N GLN A 32 -7.031 -7.786 1.347 1.00 0.00 N ATOM 485 CA GLN A 32 -7.591 -7.488 2.657 1.00 0.00 C ATOM 486 C GLN A 32 -6.895 -6.263 3.236 1.00 0.00 C ATOM 487 O GLN A 32 -7.513 -5.433 3.904 1.00 0.00 O ATOM 488 CB GLN A 32 -7.430 -8.685 3.599 1.00 0.00 C ATOM 489 CG GLN A 32 -8.082 -8.480 4.960 1.00 0.00 C ATOM 490 CD GLN A 32 -9.602 -8.352 4.903 1.00 0.00 C ATOM 491 OE1 GLN A 32 -10.199 -8.592 3.736 1.00 0.00 O flip ATOM 492 NE2 GLN A 32 -10.237 -8.051 5.913 1.00 0.00 N flip ATOM 0 H GLN A 32 -6.599 -8.707 1.270 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.656 -7.283 2.550 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.861 -9.568 3.128 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.368 -8.886 3.740 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.821 -9.318 5.607 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.668 -7.582 5.419 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.747 -7.874 6.790 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.254 -7.978 5.873 1.00 0.00 H new ATOM 501 N PHE A 33 -5.598 -6.157 2.954 1.00 0.00 N ATOM 502 CA PHE A 33 -4.789 -5.036 3.417 1.00 0.00 C ATOM 503 C PHE A 33 -5.430 -3.714 2.994 1.00 0.00 C ATOM 504 O PHE A 33 -5.851 -2.915 3.830 1.00 0.00 O ATOM 505 CB PHE A 33 -3.374 -5.152 2.830 1.00 0.00 C ATOM 506 CG PHE A 33 -2.366 -4.252 3.481 1.00 0.00 C ATOM 507 CD1 PHE A 33 -2.111 -4.349 4.839 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.681 -3.299 2.736 1.00 0.00 C ATOM 509 CE1 PHE A 33 -1.192 -3.514 5.444 1.00 0.00 C ATOM 510 CE2 PHE A 33 -0.759 -2.466 3.340 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.516 -2.575 4.696 1.00 0.00 C ATOM 0 H PHE A 33 -5.083 -6.842 2.401 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.730 -5.059 4.505 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.037 -6.184 2.923 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.414 -4.924 1.765 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.636 -5.085 5.430 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.871 -3.209 1.677 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.003 -3.597 6.504 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.229 -1.731 2.753 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.204 -1.924 5.170 1.00 0.00 H new ATOM 521 N PHE A 34 -5.508 -3.508 1.683 1.00 0.00 N ATOM 522 CA PHE A 34 -6.105 -2.296 1.121 1.00 0.00 C ATOM 523 C PHE A 34 -7.602 -2.270 1.379 1.00 0.00 C ATOM 524 O PHE A 34 -8.167 -1.228 1.712 1.00 0.00 O ATOM 525 CB PHE A 34 -5.805 -2.205 -0.370 1.00 0.00 C ATOM 526 CG PHE A 34 -4.334 -2.221 -0.644 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.476 -1.436 0.107 1.00 0.00 C ATOM 528 CD2 PHE A 34 -3.808 -3.032 -1.631 1.00 0.00 C ATOM 529 CE1 PHE A 34 -2.118 -1.462 -0.119 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.449 -3.059 -1.867 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.604 -2.273 -1.107 1.00 0.00 C ATOM 0 H PHE A 34 -5.164 -4.167 0.985 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.665 -1.428 1.612 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.280 -3.038 -0.888 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.240 -1.290 -0.773 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.876 -0.796 0.879 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.466 -3.650 -2.223 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.458 -0.849 0.476 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.047 -3.693 -2.644 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.539 -2.294 -1.288 1.00 0.00 H new ATOM 541 N ASN A 35 -8.234 -3.428 1.253 1.00 0.00 N ATOM 542 CA ASN A 35 -9.663 -3.550 1.507 1.00 0.00 C ATOM 543 C ASN A 35 -9.992 -2.944 2.868 1.00 0.00 C ATOM 544 O ASN A 35 -11.030 -2.309 3.056 1.00 0.00 O ATOM 545 CB ASN A 35 -10.051 -5.028 1.504 1.00 0.00 C ATOM 546 CG ASN A 35 -11.524 -5.247 1.767 1.00 0.00 C ATOM 547 OD1 ASN A 35 -12.087 -4.709 2.720 1.00 0.00 O ATOM 548 ND2 ASN A 35 -12.147 -6.062 0.931 1.00 0.00 N ATOM 0 H ASN A 35 -7.779 -4.298 0.976 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.218 -3.023 0.731 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.789 -5.466 0.541 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.469 -5.553 2.261 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.137 -6.268 1.063 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.637 -6.484 0.155 1.00 0.00 H new ATOM 555 N ASP A 36 -9.080 -3.167 3.813 1.00 0.00 N ATOM 556 CA ASP A 36 -9.228 -2.671 5.180 1.00 0.00 C ATOM 557 C ASP A 36 -8.526 -1.327 5.398 1.00 0.00 C ATOM 558 O ASP A 36 -8.930 -0.552 6.264 1.00 0.00 O ATOM 559 CB ASP A 36 -8.696 -3.703 6.175 1.00 0.00 C ATOM 560 CG ASP A 36 -9.426 -5.030 6.089 1.00 0.00 C ATOM 561 OD1 ASP A 36 -10.355 -5.146 5.261 1.00 0.00 O ATOM 562 OD2 ASP A 36 -9.069 -5.955 6.851 1.00 0.00 O ATOM 0 H ASP A 36 -8.221 -3.694 3.654 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.293 -2.510 5.347 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.634 -3.865 5.991 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.788 -3.307 7.186 1.00 0.00 H new ATOM 567 N ASN A 37 -7.490 -1.037 4.610 1.00 0.00 N ATOM 568 CA ASN A 37 -6.781 0.237 4.747 1.00 0.00 C ATOM 569 C ASN A 37 -7.591 1.349 4.103 1.00 0.00 C ATOM 570 O ASN A 37 -7.725 2.443 4.655 1.00 0.00 O ATOM 571 CB ASN A 37 -5.394 0.189 4.095 1.00 0.00 C ATOM 572 CG ASN A 37 -4.448 -0.781 4.769 1.00 0.00 C ATOM 573 OD1 ASN A 37 -4.375 -0.843 5.995 1.00 0.00 O ATOM 574 ND2 ASN A 37 -3.685 -1.521 3.969 1.00 0.00 N ATOM 0 H ASN A 37 -7.128 -1.654 3.883 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.653 0.428 5.812 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.503 -0.089 3.047 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.956 1.187 4.116 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.007 -2.171 4.368 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.778 -1.439 2.957 1.00 0.00 H new ATOM 581 N GLY A 38 -8.121 1.032 2.923 1.00 0.00 N ATOM 582 CA GLY A 38 -8.932 1.949 2.137 1.00 0.00 C ATOM 583 C GLY A 38 -9.245 3.280 2.796 1.00 0.00 C ATOM 584 O GLY A 38 -8.357 4.098 3.033 1.00 0.00 O ATOM 0 H GLY A 38 -7.996 0.120 2.484 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.419 2.142 1.195 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.873 1.455 1.893 1.00 0.00 H new ATOM 588 N VAL A 39 -10.531 3.522 3.011 1.00 0.00 N ATOM 589 CA VAL A 39 -10.997 4.792 3.557 1.00 0.00 C ATOM 590 C VAL A 39 -10.958 4.899 5.084 1.00 0.00 C ATOM 591 O VAL A 39 -10.386 5.849 5.616 1.00 0.00 O ATOM 592 CB VAL A 39 -12.423 5.096 3.055 1.00 0.00 C ATOM 593 CG1 VAL A 39 -13.014 6.309 3.764 1.00 0.00 C ATOM 594 CG2 VAL A 39 -12.416 5.309 1.549 1.00 0.00 C ATOM 0 H VAL A 39 -11.275 2.852 2.815 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.285 5.533 3.192 1.00 0.00 H new ATOM 0 HB VAL A 39 -13.053 4.237 3.287 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -14.020 6.496 3.387 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -13.058 6.118 4.836 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -12.388 7.181 3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -13.429 5.523 1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.765 6.148 1.303 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.049 4.409 1.056 1.00 0.00 H new ATOM 604 N ASP A 40 -11.597 3.979 5.795 1.00 0.00 N ATOM 605 CA ASP A 40 -11.650 4.061 7.259 1.00 0.00 C ATOM 606 C ASP A 40 -10.473 3.381 7.956 1.00 0.00 C ATOM 607 O ASP A 40 -10.595 2.964 9.109 1.00 0.00 O ATOM 608 CB ASP A 40 -12.958 3.451 7.768 1.00 0.00 C ATOM 609 CG ASP A 40 -14.182 4.168 7.232 1.00 0.00 C ATOM 610 OD1 ASP A 40 -14.318 5.382 7.491 1.00 0.00 O ATOM 611 OD2 ASP A 40 -15.003 3.516 6.554 1.00 0.00 O ATOM 0 H ASP A 40 -12.081 3.176 5.394 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.593 5.121 7.505 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.001 2.401 7.480 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -12.970 3.483 8.857 1.00 0.00 H new ATOM 616 N GLY A 41 -9.337 3.276 7.282 1.00 0.00 N ATOM 617 CA GLY A 41 -8.181 2.649 7.903 1.00 0.00 C ATOM 618 C GLY A 41 -7.587 3.513 9.004 1.00 0.00 C ATOM 619 O GLY A 41 -7.809 4.724 9.035 1.00 0.00 O ATOM 0 H GLY A 41 -9.192 3.608 6.328 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.471 1.683 8.317 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.422 2.456 7.145 1.00 0.00 H new ATOM 623 N GLU A 42 -6.826 2.896 9.908 1.00 0.00 N ATOM 624 CA GLU A 42 -6.192 3.624 11.008 1.00 0.00 C ATOM 625 C GLU A 42 -4.805 4.106 10.594 1.00 0.00 C ATOM 626 O GLU A 42 -3.844 3.337 10.606 1.00 0.00 O ATOM 627 CB GLU A 42 -6.084 2.733 12.247 1.00 0.00 C ATOM 628 CG GLU A 42 -7.425 2.239 12.763 1.00 0.00 C ATOM 629 CD GLU A 42 -8.348 3.374 13.161 1.00 0.00 C ATOM 630 OE1 GLU A 42 -7.970 4.161 14.055 1.00 0.00 O ATOM 631 OE2 GLU A 42 -9.449 3.475 12.580 1.00 0.00 O ATOM 0 H GLU A 42 -6.633 1.894 9.901 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.811 4.488 11.249 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.456 1.874 12.012 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.582 3.287 13.040 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.907 1.636 11.993 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.263 1.589 13.623 1.00 0.00 H new ATOM 638 N TRP A 43 -4.709 5.374 10.200 1.00 0.00 N ATOM 639 CA TRP A 43 -3.441 5.936 9.748 1.00 0.00 C ATOM 640 C TRP A 43 -2.759 6.788 10.817 1.00 0.00 C ATOM 641 O TRP A 43 -3.304 7.799 11.261 1.00 0.00 O ATOM 642 CB TRP A 43 -3.659 6.808 8.514 1.00 0.00 C ATOM 643 CG TRP A 43 -4.341 6.122 7.373 1.00 0.00 C ATOM 644 CD1 TRP A 43 -5.336 5.189 7.433 1.00 0.00 C ATOM 645 CD2 TRP A 43 -4.078 6.338 5.989 1.00 0.00 C ATOM 646 NE1 TRP A 43 -5.711 4.819 6.163 1.00 0.00 N ATOM 647 CE2 TRP A 43 -4.949 5.511 5.260 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.188 7.157 5.297 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -4.955 5.482 3.870 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.192 7.128 3.919 1.00 0.00 C ATOM 651 CH2 TRP A 43 -4.071 6.297 3.215 1.00 0.00 C ATOM 0 H TRP A 43 -5.491 6.028 10.185 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.796 5.088 9.518 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.249 7.678 8.801 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -2.692 7.177 8.172 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.765 4.799 8.344 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -6.437 4.141 5.932 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.507 7.803 5.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.632 4.840 3.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.505 7.757 3.373 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.052 6.299 2.135 1.00 0.00 H new ATOM 662 N THR A 44 -1.547 6.397 11.190 1.00 0.00 N ATOM 663 CA THR A 44 -0.762 7.144 12.167 1.00 0.00 C ATOM 664 C THR A 44 0.335 7.921 11.440 1.00 0.00 C ATOM 665 O THR A 44 1.011 7.377 10.566 1.00 0.00 O ATOM 666 CB THR A 44 -0.151 6.200 13.205 1.00 0.00 C ATOM 667 OG1 THR A 44 0.651 5.217 12.579 1.00 0.00 O ATOM 668 CG2 THR A 44 -1.186 5.484 14.044 1.00 0.00 C ATOM 0 H THR A 44 -1.084 5.563 10.829 1.00 0.00 H new ATOM 0 HA THR A 44 -1.414 7.842 12.693 1.00 0.00 H new ATOM 0 HB THR A 44 0.445 6.837 13.859 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.455 5.198 11.619 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.686 4.831 14.759 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.789 6.216 14.581 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.830 4.888 13.397 1.00 0.00 H new ATOM 676 N TYR A 45 0.499 9.197 11.778 1.00 0.00 N ATOM 677 CA TYR A 45 1.504 10.030 11.123 1.00 0.00 C ATOM 678 C TYR A 45 2.672 10.345 12.050 1.00 0.00 C ATOM 679 O TYR A 45 2.488 10.589 13.242 1.00 0.00 O ATOM 680 CB TYR A 45 0.868 11.333 10.629 1.00 0.00 C ATOM 681 CG TYR A 45 1.832 12.246 9.903 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.756 11.738 8.999 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.814 13.618 10.122 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.637 12.571 8.335 1.00 0.00 C ATOM 685 CE2 TYR A 45 2.691 14.458 9.461 1.00 0.00 C ATOM 686 CZ TYR A 45 3.600 13.929 8.568 1.00 0.00 C ATOM 687 OH TYR A 45 4.475 14.761 7.907 1.00 0.00 O ATOM 0 H TYR A 45 -0.046 9.674 12.496 1.00 0.00 H new ATOM 0 HA TYR A 45 1.893 9.467 10.275 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.039 11.092 9.964 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.448 11.867 11.481 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.787 10.675 8.812 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.103 14.035 10.820 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.351 12.160 7.637 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.665 15.522 9.643 1.00 0.00 H new ATOM 0 HH TYR A 45 4.317 15.688 8.183 1.00 0.00 H new ATOM 697 N ASP A 46 3.874 10.360 11.481 1.00 0.00 N ATOM 698 CA ASP A 46 5.080 10.668 12.238 1.00 0.00 C ATOM 699 C ASP A 46 5.819 11.843 11.604 1.00 0.00 C ATOM 700 O ASP A 46 6.773 11.655 10.851 1.00 0.00 O ATOM 701 CB ASP A 46 5.994 9.443 12.302 1.00 0.00 C ATOM 702 CG ASP A 46 7.256 9.702 13.103 1.00 0.00 C ATOM 703 OD1 ASP A 46 7.140 10.032 14.301 1.00 0.00 O ATOM 704 OD2 ASP A 46 8.358 9.573 12.531 1.00 0.00 O ATOM 0 H ASP A 46 4.037 10.161 10.494 1.00 0.00 H new ATOM 0 HA ASP A 46 4.792 10.943 13.253 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.450 8.610 12.747 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.265 9.142 11.290 1.00 0.00 H new ATOM 709 N ASP A 47 5.364 13.056 11.907 1.00 0.00 N ATOM 710 CA ASP A 47 5.971 14.268 11.361 1.00 0.00 C ATOM 711 C ASP A 47 7.493 14.235 11.479 1.00 0.00 C ATOM 712 O ASP A 47 8.203 14.757 10.618 1.00 0.00 O ATOM 713 CB ASP A 47 5.423 15.502 12.079 1.00 0.00 C ATOM 714 CG ASP A 47 3.921 15.645 11.920 1.00 0.00 C ATOM 715 OD1 ASP A 47 3.190 14.719 12.332 1.00 0.00 O ATOM 716 OD2 ASP A 47 3.476 16.682 11.386 1.00 0.00 O ATOM 0 H ASP A 47 4.574 13.227 12.530 1.00 0.00 H new ATOM 0 HA ASP A 47 5.715 14.319 10.303 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.669 15.441 13.139 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.913 16.394 11.689 1.00 0.00 H new ATOM 721 N ALA A 48 7.988 13.630 12.553 1.00 0.00 N ATOM 722 CA ALA A 48 9.426 13.540 12.793 1.00 0.00 C ATOM 723 C ALA A 48 10.179 13.019 11.571 1.00 0.00 C ATOM 724 O ALA A 48 11.326 13.398 11.334 1.00 0.00 O ATOM 725 CB ALA A 48 9.701 12.655 13.998 1.00 0.00 C ATOM 0 H ALA A 48 7.414 13.193 13.274 1.00 0.00 H new ATOM 0 HA ALA A 48 9.789 14.548 12.994 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.776 12.595 14.168 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.218 13.079 14.878 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.307 11.656 13.813 1.00 0.00 H new ATOM 731 N THR A 49 9.538 12.145 10.801 1.00 0.00 N ATOM 732 CA THR A 49 10.168 11.578 9.611 1.00 0.00 C ATOM 733 C THR A 49 9.285 11.729 8.372 1.00 0.00 C ATOM 734 O THR A 49 9.541 11.105 7.343 1.00 0.00 O ATOM 735 CB THR A 49 10.485 10.100 9.838 1.00 0.00 C ATOM 736 OG1 THR A 49 9.303 9.371 10.118 1.00 0.00 O ATOM 737 CG2 THR A 49 11.451 9.862 10.979 1.00 0.00 C ATOM 0 H THR A 49 8.589 11.815 10.977 1.00 0.00 H new ATOM 0 HA THR A 49 11.091 12.131 9.435 1.00 0.00 H new ATOM 0 HB THR A 49 10.950 9.760 8.913 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.040 9.519 11.050 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.632 8.792 11.085 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.392 10.371 10.771 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.025 10.251 11.904 1.00 0.00 H new ATOM 745 N LYS A 50 8.246 12.554 8.471 1.00 0.00 N ATOM 746 CA LYS A 50 7.337 12.766 7.347 1.00 0.00 C ATOM 747 C LYS A 50 6.804 11.431 6.834 1.00 0.00 C ATOM 748 O LYS A 50 6.554 11.268 5.637 1.00 0.00 O ATOM 749 CB LYS A 50 8.055 13.498 6.210 1.00 0.00 C ATOM 750 CG LYS A 50 8.439 14.930 6.539 1.00 0.00 C ATOM 751 CD LYS A 50 7.213 15.814 6.694 1.00 0.00 C ATOM 752 CE LYS A 50 7.595 17.278 6.834 1.00 0.00 C ATOM 753 NZ LYS A 50 8.443 17.520 8.034 1.00 0.00 N ATOM 0 H LYS A 50 8.013 13.083 9.311 1.00 0.00 H new ATOM 0 HA LYS A 50 6.503 13.375 7.695 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.955 12.943 5.947 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.412 13.499 5.330 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.021 14.949 7.460 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.078 15.327 5.750 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.561 15.688 5.830 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.645 15.500 7.570 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.130 17.600 5.941 1.00 0.00 H new ATOM 0 HE3 LYS A 50 6.691 17.884 6.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.597 18.542 8.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.966 17.144 8.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.359 17.043 7.913 1.00 0.00 H new ATOM 767 N THR A 51 6.654 10.473 7.742 1.00 0.00 N ATOM 768 CA THR A 51 6.176 9.146 7.376 1.00 0.00 C ATOM 769 C THR A 51 4.786 8.872 7.944 1.00 0.00 C ATOM 770 O THR A 51 4.507 9.176 9.103 1.00 0.00 O ATOM 771 CB THR A 51 7.158 8.086 7.878 1.00 0.00 C ATOM 772 OG1 THR A 51 8.437 8.273 7.298 1.00 0.00 O ATOM 773 CG2 THR A 51 6.722 6.672 7.577 1.00 0.00 C ATOM 0 H THR A 51 6.856 10.591 8.735 1.00 0.00 H new ATOM 0 HA THR A 51 6.108 9.102 6.289 1.00 0.00 H new ATOM 0 HB THR A 51 7.190 8.215 8.960 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.754 9.180 7.491 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.465 5.973 7.961 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.761 6.478 8.053 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.625 6.543 6.499 1.00 0.00 H new ATOM 781 N PHE A 52 3.916 8.293 7.118 1.00 0.00 N ATOM 782 CA PHE A 52 2.559 7.977 7.546 1.00 0.00 C ATOM 783 C PHE A 52 2.356 6.473 7.714 1.00 0.00 C ATOM 784 O PHE A 52 2.063 5.759 6.758 1.00 0.00 O ATOM 785 CB PHE A 52 1.534 8.505 6.552 1.00 0.00 C ATOM 786 CG PHE A 52 1.596 9.988 6.335 1.00 0.00 C ATOM 787 CD1 PHE A 52 2.710 10.572 5.751 1.00 0.00 C ATOM 788 CD2 PHE A 52 0.536 10.800 6.708 1.00 0.00 C ATOM 789 CE1 PHE A 52 2.765 11.936 5.543 1.00 0.00 C ATOM 790 CE2 PHE A 52 0.586 12.165 6.502 1.00 0.00 C ATOM 791 CZ PHE A 52 1.701 12.733 5.920 1.00 0.00 C ATOM 0 H PHE A 52 4.127 8.035 6.154 1.00 0.00 H new ATOM 0 HA PHE A 52 2.415 8.463 8.511 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.679 8.003 5.596 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.536 8.242 6.902 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.544 9.953 5.455 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.338 10.360 7.165 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.638 12.379 5.087 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.247 12.787 6.796 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.742 13.800 5.759 1.00 0.00 H new ATOM 801 N THR A 53 2.515 6.016 8.943 1.00 0.00 N ATOM 802 CA THR A 53 2.349 4.599 9.259 1.00 0.00 C ATOM 803 C THR A 53 0.880 4.192 9.291 1.00 0.00 C ATOM 804 O THR A 53 0.066 4.792 9.990 1.00 0.00 O ATOM 805 CB THR A 53 3.026 4.230 10.579 1.00 0.00 C ATOM 806 OG1 THR A 53 2.859 5.251 11.544 1.00 0.00 O ATOM 807 CG2 THR A 53 4.503 3.934 10.435 1.00 0.00 C ATOM 0 H THR A 53 2.759 6.601 9.742 1.00 0.00 H new ATOM 0 HA THR A 53 2.837 4.045 8.457 1.00 0.00 H new ATOM 0 HB THR A 53 2.532 3.316 10.908 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.060 5.066 12.081 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.920 3.680 11.410 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.641 3.096 9.751 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.013 4.813 10.040 1.00 0.00 H new ATOM 815 N VAL A 54 0.567 3.147 8.535 1.00 0.00 N ATOM 816 CA VAL A 54 -0.784 2.612 8.465 1.00 0.00 C ATOM 817 C VAL A 54 -0.789 1.176 8.978 1.00 0.00 C ATOM 818 O VAL A 54 -0.069 0.324 8.458 1.00 0.00 O ATOM 819 CB VAL A 54 -1.339 2.653 7.024 1.00 0.00 C ATOM 820 CG1 VAL A 54 -2.756 2.097 6.976 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.301 4.074 6.481 1.00 0.00 C ATOM 0 H VAL A 54 1.242 2.649 7.955 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.427 3.234 9.088 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.708 2.026 6.394 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.127 2.135 5.952 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.753 1.064 7.323 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.403 2.694 7.619 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.695 4.086 5.465 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.908 4.722 7.113 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.272 4.434 6.475 1.00 0.00 H new ATOM 831 N THR A 55 -1.586 0.914 10.007 1.00 0.00 N ATOM 832 CA THR A 55 -1.649 -0.423 10.584 1.00 0.00 C ATOM 833 C THR A 55 -3.037 -1.030 10.443 1.00 0.00 C ATOM 834 O THR A 55 -4.038 -0.408 10.799 1.00 0.00 O ATOM 835 CB THR A 55 -1.237 -0.385 12.056 1.00 0.00 C ATOM 836 OG1 THR A 55 -0.019 0.320 12.215 1.00 0.00 O ATOM 837 CG2 THR A 55 -1.043 -1.761 12.652 1.00 0.00 C ATOM 0 H THR A 55 -2.192 1.602 10.455 1.00 0.00 H new ATOM 0 HA THR A 55 -0.952 -1.054 10.033 1.00 0.00 H new ATOM 0 HB THR A 55 -2.056 0.113 12.576 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.228 0.336 13.163 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.752 -1.667 13.698 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.975 -2.322 12.584 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.262 -2.288 12.104 1.00 0.00 H new ATOM 845 N GLU A 56 -3.089 -2.250 9.913 1.00 0.00 N ATOM 846 CA GLU A 56 -4.357 -2.942 9.718 1.00 0.00 C ATOM 847 C GLU A 56 -4.965 -3.349 11.056 1.00 0.00 C ATOM 848 O GLU A 56 -6.134 -2.988 11.307 1.00 0.00 O ATOM 849 CB GLU A 56 -4.157 -4.177 8.838 1.00 0.00 C ATOM 850 CG GLU A 56 -5.438 -4.951 8.575 1.00 0.00 C ATOM 851 CD GLU A 56 -5.210 -6.172 7.705 1.00 0.00 C ATOM 852 OE1 GLU A 56 -4.745 -6.006 6.558 1.00 0.00 O ATOM 853 OE2 GLU A 56 -5.497 -7.295 8.171 1.00 0.00 O ATOM 854 OXT GLU A 56 -4.268 -4.023 11.841 1.00 0.00 O ATOM 0 H GLU A 56 -2.269 -2.777 9.612 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.044 -2.258 9.220 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.727 -3.868 7.885 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.434 -4.839 9.314 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.873 -5.262 9.525 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.163 -4.295 8.092 1.00 0.00 H new TER 861 GLU A 56 ATOM 862 N MET B 1 6.019 18.576 -2.084 1.00 0.00 N ATOM 863 CA MET B 1 6.830 17.831 -1.086 1.00 0.00 C ATOM 864 C MET B 1 6.637 16.325 -1.230 1.00 0.00 C ATOM 865 O MET B 1 5.570 15.859 -1.628 1.00 0.00 O ATOM 866 CB MET B 1 6.416 18.285 0.317 1.00 0.00 C ATOM 867 CG MET B 1 7.160 17.572 1.433 1.00 0.00 C ATOM 868 SD MET B 1 8.941 17.848 1.374 1.00 0.00 S ATOM 869 CE MET B 1 9.475 16.925 2.812 1.00 0.00 C ATOM 0 H1 MET B 1 6.184 19.597 -1.973 1.00 0.00 H new ATOM 0 H2 MET B 1 6.294 18.283 -3.043 1.00 0.00 H new ATOM 0 H3 MET B 1 5.011 18.370 -1.935 1.00 0.00 H new ATOM 0 HA MET B 1 7.886 18.044 -1.254 1.00 0.00 H new ATOM 0 HB2 MET B 1 6.585 19.358 0.407 1.00 0.00 H new ATOM 0 HB3 MET B 1 5.346 18.120 0.442 1.00 0.00 H new ATOM 0 HG2 MET B 1 6.776 17.912 2.395 1.00 0.00 H new ATOM 0 HG3 MET B 1 6.961 16.502 1.371 1.00 0.00 H new ATOM 0 HE1 MET B 1 10.558 17.000 2.911 1.00 0.00 H new ATOM 0 HE2 MET B 1 9.000 17.334 3.704 1.00 0.00 H new ATOM 0 HE3 MET B 1 9.192 15.878 2.698 1.00 0.00 H new ATOM 881 N GLN B 2 7.678 15.568 -0.898 1.00 0.00 N ATOM 882 CA GLN B 2 7.630 14.115 -0.983 1.00 0.00 C ATOM 883 C GLN B 2 7.430 13.504 0.398 1.00 0.00 C ATOM 884 O GLN B 2 8.067 13.917 1.367 1.00 0.00 O ATOM 885 CB GLN B 2 8.919 13.576 -1.609 1.00 0.00 C ATOM 886 CG GLN B 2 8.954 12.061 -1.727 1.00 0.00 C ATOM 887 CD GLN B 2 7.843 11.517 -2.604 1.00 0.00 C ATOM 888 OE1 GLN B 2 6.661 11.723 -2.328 1.00 0.00 O ATOM 889 NE2 GLN B 2 8.218 10.818 -3.669 1.00 0.00 N ATOM 0 H GLN B 2 8.568 15.940 -0.566 1.00 0.00 H new ATOM 0 HA GLN B 2 6.786 13.837 -1.614 1.00 0.00 H new ATOM 0 HB2 GLN B 2 9.041 14.012 -2.601 1.00 0.00 H new ATOM 0 HB3 GLN B 2 9.768 13.905 -1.010 1.00 0.00 H new ATOM 0 HG2 GLN B 2 9.917 11.755 -2.136 1.00 0.00 H new ATOM 0 HG3 GLN B 2 8.875 11.621 -0.733 1.00 0.00 H new ATOM 0 HE21 GLN B 2 9.209 10.672 -3.860 1.00 0.00 H new ATOM 0 HE22 GLN B 2 7.515 10.428 -4.296 1.00 0.00 H new ATOM 898 N TYR B 3 6.545 12.517 0.486 1.00 0.00 N ATOM 899 CA TYR B 3 6.272 11.855 1.754 1.00 0.00 C ATOM 900 C TYR B 3 6.351 10.342 1.595 1.00 0.00 C ATOM 901 O TYR B 3 5.993 9.801 0.552 1.00 0.00 O ATOM 902 CB TYR B 3 4.891 12.256 2.275 1.00 0.00 C ATOM 903 CG TYR B 3 4.743 13.740 2.522 1.00 0.00 C ATOM 904 CD1 TYR B 3 4.460 14.611 1.478 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.885 14.268 3.798 1.00 0.00 C ATOM 906 CE1 TYR B 3 4.324 15.968 1.700 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.750 15.625 4.028 1.00 0.00 C ATOM 908 CZ TYR B 3 4.468 16.469 2.976 1.00 0.00 C ATOM 909 OH TYR B 3 4.334 17.821 3.199 1.00 0.00 O ATOM 0 H TYR B 3 6.007 12.160 -0.303 1.00 0.00 H new ATOM 0 HA TYR B 3 7.026 12.169 2.475 1.00 0.00 H new ATOM 0 HB2 TYR B 3 4.135 11.939 1.557 1.00 0.00 H new ATOM 0 HB3 TYR B 3 4.693 11.720 3.203 1.00 0.00 H new ATOM 0 HD1 TYR B 3 4.344 14.222 0.477 1.00 0.00 H new ATOM 0 HD2 TYR B 3 5.104 13.608 4.624 1.00 0.00 H new ATOM 0 HE1 TYR B 3 4.106 16.633 0.877 1.00 0.00 H new ATOM 0 HE2 TYR B 3 4.865 16.021 5.026 1.00 0.00 H new ATOM 0 HH TYR B 3 4.464 18.010 4.152 1.00 0.00 H new ATOM 919 N LYS B 4 6.818 9.665 2.637 1.00 0.00 N ATOM 920 CA LYS B 4 6.939 8.213 2.605 1.00 0.00 C ATOM 921 C LYS B 4 5.962 7.574 3.582 1.00 0.00 C ATOM 922 O LYS B 4 6.113 7.695 4.795 1.00 0.00 O ATOM 923 CB LYS B 4 8.370 7.785 2.935 1.00 0.00 C ATOM 924 CG LYS B 4 8.579 6.280 2.891 1.00 0.00 C ATOM 925 CD LYS B 4 10.043 5.912 3.075 1.00 0.00 C ATOM 926 CE LYS B 4 10.587 6.418 4.402 1.00 0.00 C ATOM 927 NZ LYS B 4 12.028 6.081 4.579 1.00 0.00 N ATOM 0 H LYS B 4 7.118 10.096 3.511 1.00 0.00 H new ATOM 0 HA LYS B 4 6.698 7.873 1.598 1.00 0.00 H new ATOM 0 HB2 LYS B 4 9.054 8.259 2.231 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.630 8.151 3.928 1.00 0.00 H new ATOM 0 HG2 LYS B 4 7.983 5.807 3.672 1.00 0.00 H new ATOM 0 HG3 LYS B 4 8.222 5.890 1.937 1.00 0.00 H new ATOM 0 HD2 LYS B 4 10.155 4.829 3.025 1.00 0.00 H new ATOM 0 HD3 LYS B 4 10.629 6.331 2.257 1.00 0.00 H new ATOM 0 HE2 LYS B 4 10.458 7.499 4.458 1.00 0.00 H new ATOM 0 HE3 LYS B 4 10.010 5.985 5.219 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 12.359 6.444 5.496 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 12.149 5.048 4.551 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 12.583 6.515 3.814 1.00 0.00 H new ATOM 941 N VAL B 5 4.957 6.897 3.044 1.00 0.00 N ATOM 942 CA VAL B 5 3.951 6.249 3.869 1.00 0.00 C ATOM 943 C VAL B 5 4.308 4.790 4.127 1.00 0.00 C ATOM 944 O VAL B 5 4.640 4.042 3.209 1.00 0.00 O ATOM 945 CB VAL B 5 2.556 6.331 3.213 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.497 5.663 4.079 1.00 0.00 C ATOM 947 CG2 VAL B 5 2.188 7.782 2.938 1.00 0.00 C ATOM 0 H VAL B 5 4.818 6.783 2.040 1.00 0.00 H new ATOM 0 HA VAL B 5 3.925 6.779 4.821 1.00 0.00 H new ATOM 0 HB VAL B 5 2.595 5.793 2.266 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.526 5.738 3.589 1.00 0.00 H new ATOM 0 HG12 VAL B 5 1.752 4.613 4.220 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.454 6.159 5.048 1.00 0.00 H new ATOM 0 HG21 VAL B 5 1.202 7.826 2.475 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.174 8.338 3.876 1.00 0.00 H new ATOM 0 HG23 VAL B 5 2.924 8.223 2.266 1.00 0.00 H new ATOM 957 N ILE B 6 4.227 4.400 5.391 1.00 0.00 N ATOM 958 CA ILE B 6 4.528 3.036 5.798 1.00 0.00 C ATOM 959 C ILE B 6 3.242 2.251 6.007 1.00 0.00 C ATOM 960 O ILE B 6 2.351 2.681 6.738 1.00 0.00 O ATOM 961 CB ILE B 6 5.383 3.009 7.085 1.00 0.00 C ATOM 962 CG1 ILE B 6 6.764 3.602 6.806 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.516 1.589 7.619 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.635 3.718 8.038 1.00 0.00 C ATOM 0 H ILE B 6 3.953 5.015 6.157 1.00 0.00 H new ATOM 0 HA ILE B 6 5.105 2.569 5.000 1.00 0.00 H new ATOM 0 HB ILE B 6 4.883 3.611 7.844 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.274 2.982 6.068 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.643 4.590 6.363 1.00 0.00 H new ATOM 0 HG21 ILE B 6 6.122 1.596 8.525 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.527 1.192 7.847 1.00 0.00 H new ATOM 0 HG23 ILE B 6 5.994 0.961 6.867 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.599 4.147 7.763 1.00 0.00 H new ATOM 0 HD12 ILE B 6 7.147 4.362 8.769 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.788 2.729 8.470 1.00 0.00 H new ATOM 976 N LEU B 7 3.146 1.106 5.347 1.00 0.00 N ATOM 977 CA LEU B 7 1.963 0.265 5.445 1.00 0.00 C ATOM 978 C LEU B 7 2.255 -0.966 6.305 1.00 0.00 C ATOM 979 O LEU B 7 2.627 -2.021 5.794 1.00 0.00 O ATOM 980 CB LEU B 7 1.516 -0.144 4.037 1.00 0.00 C ATOM 981 CG LEU B 7 1.623 0.963 2.988 1.00 0.00 C ATOM 982 CD1 LEU B 7 1.120 0.473 1.640 1.00 0.00 C ATOM 983 CD2 LEU B 7 0.854 2.196 3.440 1.00 0.00 C ATOM 0 H LEU B 7 3.875 0.738 4.736 1.00 0.00 H new ATOM 0 HA LEU B 7 1.158 0.823 5.924 1.00 0.00 H new ATOM 0 HB2 LEU B 7 2.117 -0.994 3.712 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.481 -0.484 4.083 1.00 0.00 H new ATOM 0 HG LEU B 7 2.672 1.237 2.877 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.204 1.275 0.907 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.718 -0.379 1.316 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.076 0.171 1.729 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.939 2.976 2.683 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.196 1.939 3.580 1.00 0.00 H new ATOM 0 HD23 LEU B 7 1.267 2.558 4.382 1.00 0.00 H new ATOM 995 N ASN B 8 2.101 -0.807 7.621 1.00 0.00 N ATOM 996 CA ASN B 8 2.365 -1.889 8.570 1.00 0.00 C ATOM 997 C ASN B 8 1.128 -2.744 8.836 1.00 0.00 C ATOM 998 O ASN B 8 0.248 -2.363 9.601 1.00 0.00 O ATOM 999 CB ASN B 8 2.885 -1.323 9.896 1.00 0.00 C ATOM 1000 CG ASN B 8 4.317 -0.807 9.827 1.00 0.00 C ATOM 1001 OD1 ASN B 8 4.968 -0.953 8.677 1.00 0.00 O flip ATOM 1002 ND2 ASN B 8 4.836 -0.283 10.812 1.00 0.00 N flip ATOM 0 H ASN B 8 1.794 0.064 8.054 1.00 0.00 H new ATOM 0 HA ASN B 8 3.123 -2.527 8.115 1.00 0.00 H new ATOM 0 HB2 ASN B 8 2.231 -0.511 10.214 1.00 0.00 H new ATOM 0 HB3 ASN B 8 2.825 -2.099 10.659 1.00 0.00 H new ATOM 0 HD21 ASN B 8 4.306 -0.188 11.678 1.00 0.00 H new ATOM 0 HD22 ASN B 8 5.797 0.056 10.762 1.00 0.00 H new ATOM 1009 N GLY B 9 1.085 -3.910 8.212 1.00 0.00 N ATOM 1010 CA GLY B 9 -0.028 -4.821 8.398 1.00 0.00 C ATOM 1011 C GLY B 9 0.408 -6.146 8.983 1.00 0.00 C ATOM 1012 O GLY B 9 1.536 -6.589 8.761 1.00 0.00 O ATOM 0 H GLY B 9 1.807 -4.246 7.574 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.766 -4.361 9.056 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.518 -4.993 7.440 1.00 0.00 H new ATOM 1016 N LYS B 10 -0.481 -6.779 9.737 1.00 0.00 N ATOM 1017 CA LYS B 10 -0.186 -8.059 10.367 1.00 0.00 C ATOM 1018 C LYS B 10 0.504 -9.025 9.397 1.00 0.00 C ATOM 1019 O LYS B 10 1.587 -9.535 9.682 1.00 0.00 O ATOM 1020 CB LYS B 10 -1.477 -8.696 10.888 1.00 0.00 C ATOM 1021 CG LYS B 10 -2.218 -7.839 11.900 1.00 0.00 C ATOM 1022 CD LYS B 10 -3.509 -8.501 12.353 1.00 0.00 C ATOM 1023 CE LYS B 10 -4.478 -8.690 11.196 1.00 0.00 C ATOM 1024 NZ LYS B 10 -5.766 -9.290 11.642 1.00 0.00 N ATOM 0 H LYS B 10 -1.418 -6.424 9.928 1.00 0.00 H new ATOM 0 HA LYS B 10 0.495 -7.867 11.196 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -2.137 -8.899 10.045 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -1.239 -9.657 11.344 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -1.578 -7.659 12.764 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -2.441 -6.867 11.461 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -3.284 -9.469 12.802 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -3.979 -7.893 13.126 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -4.671 -7.727 10.723 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -4.021 -9.330 10.441 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -6.398 -9.402 10.824 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -5.586 -10.220 12.070 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -6.215 -8.667 12.343 1.00 0.00 H new ATOM 1038 N THR B 11 -0.146 -9.283 8.267 1.00 0.00 N ATOM 1039 CA THR B 11 0.370 -10.200 7.262 1.00 0.00 C ATOM 1040 C THR B 11 1.052 -9.465 6.115 1.00 0.00 C ATOM 1041 O THR B 11 1.622 -10.093 5.222 1.00 0.00 O ATOM 1042 CB THR B 11 -0.776 -11.045 6.713 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.913 -10.237 6.455 1.00 0.00 O ATOM 1044 CG2 THR B 11 -1.200 -12.168 7.637 1.00 0.00 C ATOM 0 H THR B 11 -1.043 -8.863 8.024 1.00 0.00 H new ATOM 0 HA THR B 11 1.116 -10.834 7.741 1.00 0.00 H new ATOM 0 HB THR B 11 -0.391 -11.490 5.795 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.704 -10.645 6.865 1.00 0.00 H new ATOM 0 HG21 THR B 11 -2.018 -12.725 7.181 1.00 0.00 H new ATOM 0 HG22 THR B 11 -0.356 -12.837 7.808 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.531 -11.751 8.588 1.00 0.00 H new ATOM 1052 N LEU B 12 0.988 -8.142 6.133 1.00 0.00 N ATOM 1053 CA LEU B 12 1.597 -7.347 5.081 1.00 0.00 C ATOM 1054 C LEU B 12 2.372 -6.175 5.662 1.00 0.00 C ATOM 1055 O LEU B 12 1.898 -5.501 6.564 1.00 0.00 O ATOM 1056 CB LEU B 12 0.520 -6.850 4.112 1.00 0.00 C ATOM 1057 CG LEU B 12 1.032 -5.998 2.960 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.256 -6.645 2.341 1.00 0.00 C ATOM 1059 CD2 LEU B 12 -0.059 -5.804 1.918 1.00 0.00 C ATOM 0 H LEU B 12 0.523 -7.600 6.861 1.00 0.00 H new ATOM 0 HA LEU B 12 2.301 -7.977 4.537 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -0.003 -7.713 3.701 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.213 -6.271 4.674 1.00 0.00 H new ATOM 0 HG LEU B 12 1.314 -5.017 3.344 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.616 -6.029 1.517 1.00 0.00 H new ATOM 0 HD12 LEU B 12 3.039 -6.738 3.094 1.00 0.00 H new ATOM 0 HD13 LEU B 12 1.994 -7.635 1.966 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.323 -5.192 1.101 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.369 -6.775 1.531 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.914 -5.306 2.375 1.00 0.00 H new ATOM 1071 N LYS B 13 3.563 -5.934 5.131 1.00 0.00 N ATOM 1072 CA LYS B 13 4.400 -4.834 5.597 1.00 0.00 C ATOM 1073 C LYS B 13 5.188 -4.235 4.439 1.00 0.00 C ATOM 1074 O LYS B 13 5.605 -4.952 3.533 1.00 0.00 O ATOM 1075 CB LYS B 13 5.355 -5.314 6.692 1.00 0.00 C ATOM 1076 CG LYS B 13 4.642 -5.844 7.925 1.00 0.00 C ATOM 1077 CD LYS B 13 5.628 -6.324 8.981 1.00 0.00 C ATOM 1078 CE LYS B 13 6.493 -7.460 8.462 1.00 0.00 C ATOM 1079 NZ LYS B 13 7.452 -7.944 9.494 1.00 0.00 N ATOM 0 H LYS B 13 3.973 -6.485 4.377 1.00 0.00 H new ATOM 0 HA LYS B 13 3.751 -4.063 6.013 1.00 0.00 H new ATOM 0 HB2 LYS B 13 5.996 -6.097 6.287 1.00 0.00 H new ATOM 0 HB3 LYS B 13 6.005 -4.489 6.984 1.00 0.00 H new ATOM 0 HG2 LYS B 13 4.011 -5.061 8.345 1.00 0.00 H new ATOM 0 HG3 LYS B 13 3.984 -6.665 7.641 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.263 -5.494 9.291 1.00 0.00 H new ATOM 0 HD3 LYS B 13 5.083 -6.655 9.865 1.00 0.00 H new ATOM 0 HE2 LYS B 13 5.856 -8.285 8.143 1.00 0.00 H new ATOM 0 HE3 LYS B 13 7.044 -7.125 7.583 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 8.023 -8.719 9.101 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 8.077 -7.164 9.780 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 6.926 -8.288 10.323 1.00 0.00 H new ATOM 1093 N GLY B 14 5.390 -2.921 4.469 1.00 0.00 N ATOM 1094 CA GLY B 14 6.130 -2.274 3.400 1.00 0.00 C ATOM 1095 C GLY B 14 6.271 -0.778 3.580 1.00 0.00 C ATOM 1096 O GLY B 14 5.961 -0.234 4.640 1.00 0.00 O ATOM 0 H GLY B 14 5.059 -2.298 5.206 1.00 0.00 H new ATOM 0 HA2 GLY B 14 7.123 -2.719 3.336 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.630 -2.472 2.452 1.00 0.00 H new ATOM 1100 N GLU B 15 6.737 -0.111 2.525 1.00 0.00 N ATOM 1101 CA GLU B 15 6.922 1.335 2.540 1.00 0.00 C ATOM 1102 C GLU B 15 6.582 1.925 1.177 1.00 0.00 C ATOM 1103 O GLU B 15 6.901 1.347 0.138 1.00 0.00 O ATOM 1104 CB GLU B 15 8.362 1.700 2.918 1.00 0.00 C ATOM 1105 CG GLU B 15 8.787 1.209 4.294 1.00 0.00 C ATOM 1106 CD GLU B 15 9.069 -0.281 4.332 1.00 0.00 C ATOM 1107 OE1 GLU B 15 9.013 -0.926 3.264 1.00 0.00 O ATOM 1108 OE2 GLU B 15 9.356 -0.801 5.431 1.00 0.00 O ATOM 0 H GLU B 15 6.994 -0.555 1.644 1.00 0.00 H new ATOM 0 HA GLU B 15 6.250 1.753 3.290 1.00 0.00 H new ATOM 0 HB2 GLU B 15 9.039 1.285 2.171 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.472 2.784 2.881 1.00 0.00 H new ATOM 0 HG2 GLU B 15 9.680 1.750 4.607 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.004 1.443 5.015 1.00 0.00 H new ATOM 1115 N THR B 16 5.925 3.076 1.189 1.00 0.00 N ATOM 1116 CA THR B 16 5.527 3.751 -0.040 1.00 0.00 C ATOM 1117 C THR B 16 5.774 5.258 0.051 1.00 0.00 C ATOM 1118 O THR B 16 6.077 5.774 1.124 1.00 0.00 O ATOM 1119 CB THR B 16 4.057 3.450 -0.349 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.528 4.418 -1.219 1.00 0.00 O ATOM 1121 CG2 THR B 16 3.175 3.391 0.877 1.00 0.00 C ATOM 0 H THR B 16 5.654 3.565 2.042 1.00 0.00 H new ATOM 0 HA THR B 16 6.139 3.371 -0.858 1.00 0.00 H new ATOM 0 HB THR B 16 4.058 2.462 -0.809 1.00 0.00 H new ATOM 0 HG1 THR B 16 2.594 4.201 -1.420 1.00 0.00 H new ATOM 0 HG21 THR B 16 2.150 3.174 0.577 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.532 2.607 1.545 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.206 4.350 1.394 1.00 0.00 H new ATOM 1129 N THR B 17 5.668 5.957 -1.083 1.00 0.00 N ATOM 1130 CA THR B 17 5.908 7.401 -1.105 1.00 0.00 C ATOM 1131 C THR B 17 4.983 8.148 -2.072 1.00 0.00 C ATOM 1132 O THR B 17 5.001 7.914 -3.280 1.00 0.00 O ATOM 1133 CB THR B 17 7.365 7.680 -1.472 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.684 7.110 -2.728 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.348 7.141 -0.456 1.00 0.00 C ATOM 0 H THR B 17 5.421 5.552 -1.986 1.00 0.00 H new ATOM 0 HA THR B 17 5.690 7.771 -0.103 1.00 0.00 H new ATOM 0 HB THR B 17 7.455 8.766 -1.500 1.00 0.00 H new ATOM 0 HG1 THR B 17 7.059 6.381 -2.924 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.364 7.372 -0.775 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.159 7.602 0.514 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.230 6.061 -0.373 1.00 0.00 H new ATOM 1143 N THR B 18 4.195 9.071 -1.519 1.00 0.00 N ATOM 1144 CA THR B 18 3.273 9.894 -2.303 1.00 0.00 C ATOM 1145 C THR B 18 3.795 11.329 -2.370 1.00 0.00 C ATOM 1146 O THR B 18 4.367 11.832 -1.403 1.00 0.00 O ATOM 1147 CB THR B 18 1.879 9.884 -1.670 1.00 0.00 C ATOM 1148 OG1 THR B 18 0.967 10.620 -2.462 1.00 0.00 O ATOM 1149 CG2 THR B 18 1.852 10.468 -0.274 1.00 0.00 C ATOM 0 H THR B 18 4.178 9.269 -0.519 1.00 0.00 H new ATOM 0 HA THR B 18 3.205 9.482 -3.310 1.00 0.00 H new ATOM 0 HB THR B 18 1.594 8.834 -1.611 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.191 10.507 -3.409 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.835 10.431 0.116 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.511 9.891 0.375 1.00 0.00 H new ATOM 0 HG23 THR B 18 2.190 11.504 -0.306 1.00 0.00 H new ATOM 1157 N GLU B 19 3.593 11.985 -3.505 1.00 0.00 N ATOM 1158 CA GLU B 19 4.043 13.362 -3.676 1.00 0.00 C ATOM 1159 C GLU B 19 2.863 14.321 -3.572 1.00 0.00 C ATOM 1160 O GLU B 19 1.954 14.284 -4.402 1.00 0.00 O ATOM 1161 CB GLU B 19 4.739 13.527 -5.030 1.00 0.00 C ATOM 1162 CG GLU B 19 5.243 14.936 -5.290 1.00 0.00 C ATOM 1163 CD GLU B 19 5.920 15.076 -6.641 1.00 0.00 C ATOM 1164 OE1 GLU B 19 5.999 14.068 -7.375 1.00 0.00 O ATOM 1165 OE2 GLU B 19 6.374 16.194 -6.963 1.00 0.00 O ATOM 0 H GLU B 19 3.122 11.589 -4.319 1.00 0.00 H new ATOM 0 HA GLU B 19 4.755 13.597 -2.884 1.00 0.00 H new ATOM 0 HB2 GLU B 19 5.579 12.835 -5.083 1.00 0.00 H new ATOM 0 HB3 GLU B 19 4.044 13.247 -5.822 1.00 0.00 H new ATOM 0 HG2 GLU B 19 4.407 15.633 -5.233 1.00 0.00 H new ATOM 0 HG3 GLU B 19 5.946 15.217 -4.505 1.00 0.00 H new ATOM 1172 N ALA B 20 2.867 15.171 -2.546 1.00 0.00 N ATOM 1173 CA ALA B 20 1.777 16.117 -2.348 1.00 0.00 C ATOM 1174 C ALA B 20 2.259 17.424 -1.719 1.00 0.00 C ATOM 1175 O ALA B 20 3.240 17.450 -0.975 1.00 0.00 O ATOM 1176 CB ALA B 20 0.696 15.482 -1.486 1.00 0.00 C ATOM 0 H ALA B 20 3.607 15.222 -1.846 1.00 0.00 H new ATOM 0 HA ALA B 20 1.366 16.363 -3.327 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -0.117 16.193 -1.340 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.314 14.589 -1.981 1.00 0.00 H new ATOM 0 HB3 ALA B 20 1.116 15.208 -0.518 1.00 0.00 H new ATOM 1182 N VAL B 21 1.567 18.509 -2.052 1.00 0.00 N ATOM 1183 CA VAL B 21 1.912 19.842 -1.559 1.00 0.00 C ATOM 1184 C VAL B 21 2.070 19.867 -0.037 1.00 0.00 C ATOM 1185 O VAL B 21 2.938 20.563 0.492 1.00 0.00 O ATOM 1186 CB VAL B 21 0.836 20.870 -1.955 1.00 0.00 C ATOM 1187 CG1 VAL B 21 1.284 22.280 -1.602 1.00 0.00 C ATOM 1188 CG2 VAL B 21 0.508 20.757 -3.437 1.00 0.00 C ATOM 0 H VAL B 21 0.754 18.492 -2.668 1.00 0.00 H new ATOM 0 HA VAL B 21 2.866 20.103 -2.018 1.00 0.00 H new ATOM 0 HB VAL B 21 -0.071 20.654 -1.390 1.00 0.00 H new ATOM 0 HG11 VAL B 21 0.509 22.991 -1.890 1.00 0.00 H new ATOM 0 HG12 VAL B 21 1.458 22.348 -0.528 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.206 22.513 -2.134 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -0.254 21.491 -3.698 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.407 20.943 -4.024 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.136 19.755 -3.652 1.00 0.00 H new ATOM 1198 N ASP B 22 1.239 19.102 0.660 1.00 0.00 N ATOM 1199 CA ASP B 22 1.307 19.044 2.117 1.00 0.00 C ATOM 1200 C ASP B 22 0.948 17.655 2.633 1.00 0.00 C ATOM 1201 O ASP B 22 0.518 16.791 1.869 1.00 0.00 O ATOM 1202 CB ASP B 22 0.395 20.105 2.742 1.00 0.00 C ATOM 1203 CG ASP B 22 -1.073 19.847 2.476 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -1.597 18.836 2.986 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.699 20.654 1.758 1.00 0.00 O ATOM 0 H ASP B 22 0.514 18.516 0.245 1.00 0.00 H new ATOM 0 HA ASP B 22 2.335 19.254 2.412 1.00 0.00 H new ATOM 0 HB2 ASP B 22 0.565 20.135 3.818 1.00 0.00 H new ATOM 0 HB3 ASP B 22 0.664 21.086 2.349 1.00 0.00 H new ATOM 1210 N ALA B 23 1.141 17.444 3.932 1.00 0.00 N ATOM 1211 CA ALA B 23 0.849 16.156 4.548 1.00 0.00 C ATOM 1212 C ALA B 23 -0.605 15.759 4.348 1.00 0.00 C ATOM 1213 O ALA B 23 -0.904 14.607 4.037 1.00 0.00 O ATOM 1214 CB ALA B 23 1.194 16.188 6.027 1.00 0.00 C ATOM 0 H ALA B 23 1.498 18.149 4.577 1.00 0.00 H new ATOM 0 HA ALA B 23 1.467 15.404 4.058 1.00 0.00 H new ATOM 0 HB1 ALA B 23 0.971 15.219 6.474 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.255 16.408 6.149 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.605 16.960 6.521 1.00 0.00 H new ATOM 1220 N ALA B 24 -1.506 16.716 4.521 1.00 0.00 N ATOM 1221 CA ALA B 24 -2.926 16.452 4.345 1.00 0.00 C ATOM 1222 C ALA B 24 -3.201 16.023 2.913 1.00 0.00 C ATOM 1223 O ALA B 24 -3.747 14.949 2.670 1.00 0.00 O ATOM 1224 CB ALA B 24 -3.749 17.677 4.711 1.00 0.00 C ATOM 0 H ALA B 24 -1.281 17.676 4.781 1.00 0.00 H new ATOM 0 HA ALA B 24 -3.218 15.641 5.013 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.808 17.459 4.572 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.566 17.940 5.753 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.464 18.512 4.070 1.00 0.00 H new ATOM 1230 N THR B 25 -2.788 16.858 1.961 1.00 0.00 N ATOM 1231 CA THR B 25 -2.960 16.548 0.554 1.00 0.00 C ATOM 1232 C THR B 25 -2.403 15.162 0.278 1.00 0.00 C ATOM 1233 O THR B 25 -3.052 14.333 -0.361 1.00 0.00 O ATOM 1234 CB THR B 25 -2.250 17.591 -0.305 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.872 17.641 -0.002 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.810 18.987 -0.143 1.00 0.00 C ATOM 0 H THR B 25 -2.333 17.752 2.144 1.00 0.00 H new ATOM 0 HA THR B 25 -4.020 16.565 0.303 1.00 0.00 H new ATOM 0 HB THR B 25 -2.414 17.271 -1.334 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.738 17.433 0.946 1.00 0.00 H new ATOM 0 HG21 THR B 25 -2.259 19.677 -0.782 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.862 18.992 -0.427 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.713 19.300 0.897 1.00 0.00 H new ATOM 1244 N ALA B 26 -1.207 14.904 0.803 1.00 0.00 N ATOM 1245 CA ALA B 26 -0.583 13.602 0.652 1.00 0.00 C ATOM 1246 C ALA B 26 -1.493 12.544 1.257 1.00 0.00 C ATOM 1247 O ALA B 26 -1.866 11.575 0.597 1.00 0.00 O ATOM 1248 CB ALA B 26 0.784 13.583 1.321 1.00 0.00 C ATOM 0 H ALA B 26 -0.657 15.579 1.334 1.00 0.00 H new ATOM 0 HA ALA B 26 -0.437 13.390 -0.407 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.236 12.599 1.197 1.00 0.00 H new ATOM 0 HB2 ALA B 26 1.424 14.337 0.862 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.672 13.800 2.383 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.871 12.757 2.518 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.764 11.850 3.224 1.00 0.00 C ATOM 1256 C GLU B 27 -3.993 11.541 2.376 1.00 0.00 C ATOM 1257 O GLU B 27 -4.368 10.382 2.203 1.00 0.00 O ATOM 1258 CB GLU B 27 -3.182 12.480 4.557 1.00 0.00 C ATOM 1259 CG GLU B 27 -4.268 11.715 5.295 1.00 0.00 C ATOM 1260 CD GLU B 27 -3.901 10.270 5.554 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -2.864 10.027 6.207 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -4.654 9.380 5.108 1.00 0.00 O ATOM 0 H GLU B 27 -1.567 13.558 3.072 1.00 0.00 H new ATOM 0 HA GLU B 27 -2.240 10.914 3.417 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -2.306 12.556 5.201 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -3.531 13.496 4.372 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -4.471 12.209 6.245 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -5.189 11.752 4.714 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.609 12.589 1.837 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.785 12.429 0.996 1.00 0.00 C ATOM 1271 C LYS B 28 -5.430 11.668 -0.272 1.00 0.00 C ATOM 1272 O LYS B 28 -6.135 10.743 -0.671 1.00 0.00 O ATOM 1273 CB LYS B 28 -6.382 13.794 0.646 1.00 0.00 C ATOM 1274 CG LYS B 28 -6.799 14.598 1.865 1.00 0.00 C ATOM 1275 CD LYS B 28 -7.706 13.787 2.774 1.00 0.00 C ATOM 1276 CE LYS B 28 -8.110 14.576 4.010 1.00 0.00 C ATOM 1277 NZ LYS B 28 -8.836 15.827 3.658 1.00 0.00 N ATOM 0 H LYS B 28 -4.312 13.556 1.969 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.529 11.856 1.549 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.651 14.366 0.074 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -7.249 13.649 0.001 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.913 14.912 2.417 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -7.315 15.504 1.547 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.599 13.487 2.225 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.196 12.872 3.076 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.742 13.956 4.646 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -7.221 14.823 4.589 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.269 16.230 4.514 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -8.168 16.513 3.252 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -9.579 15.613 2.962 1.00 0.00 H new ATOM 1291 N VAL B 29 -4.320 12.054 -0.893 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.865 11.394 -2.107 1.00 0.00 C ATOM 1293 C VAL B 29 -3.603 9.920 -1.837 1.00 0.00 C ATOM 1294 O VAL B 29 -3.942 9.057 -2.649 1.00 0.00 O ATOM 1295 CB VAL B 29 -2.586 12.054 -2.663 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -2.104 11.342 -3.918 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -2.827 13.531 -2.943 1.00 0.00 C ATOM 0 H VAL B 29 -3.723 12.817 -0.576 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.653 11.494 -2.853 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.805 11.967 -1.908 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -1.201 11.828 -4.288 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.885 10.300 -3.684 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -2.880 11.387 -4.682 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.915 13.981 -3.335 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -3.627 13.637 -3.676 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -3.112 14.035 -2.019 1.00 0.00 H new ATOM 1307 N VAL B 30 -3.023 9.634 -0.679 1.00 0.00 N ATOM 1308 CA VAL B 30 -2.750 8.262 -0.294 1.00 0.00 C ATOM 1309 C VAL B 30 -4.070 7.534 -0.077 1.00 0.00 C ATOM 1310 O VAL B 30 -4.288 6.453 -0.618 1.00 0.00 O ATOM 1311 CB VAL B 30 -1.900 8.190 0.986 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -1.560 6.744 1.322 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -0.634 9.019 0.835 1.00 0.00 C ATOM 0 H VAL B 30 -2.735 10.333 0.006 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.183 7.787 -1.095 1.00 0.00 H new ATOM 0 HB VAL B 30 -2.483 8.604 1.809 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -0.958 6.713 2.230 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -2.480 6.180 1.477 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -0.998 6.302 0.499 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -0.046 8.955 1.751 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.047 8.638 -0.000 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -0.900 10.059 0.646 1.00 0.00 H new ATOM 1323 N LYS B 31 -4.967 8.144 0.699 1.00 0.00 N ATOM 1324 CA LYS B 31 -6.276 7.549 0.951 1.00 0.00 C ATOM 1325 C LYS B 31 -6.918 7.130 -0.364 1.00 0.00 C ATOM 1326 O LYS B 31 -7.468 6.036 -0.481 1.00 0.00 O ATOM 1327 CB LYS B 31 -7.191 8.523 1.694 1.00 0.00 C ATOM 1328 CG LYS B 31 -6.824 8.700 3.157 1.00 0.00 C ATOM 1329 CD LYS B 31 -7.716 9.718 3.854 1.00 0.00 C ATOM 1330 CE LYS B 31 -9.162 9.250 3.934 1.00 0.00 C ATOM 1331 NZ LYS B 31 -9.844 9.283 2.608 1.00 0.00 N ATOM 0 H LYS B 31 -4.812 9.041 1.159 1.00 0.00 H new ATOM 0 HA LYS B 31 -6.135 6.670 1.580 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -7.155 9.493 1.198 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.219 8.168 1.626 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -6.902 7.740 3.668 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -5.784 9.018 3.233 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -7.339 9.902 4.860 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -7.671 10.666 3.318 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -9.191 8.235 4.329 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -9.707 9.881 4.636 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -10.775 9.736 2.708 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -9.266 9.824 1.934 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -9.967 8.312 2.257 1.00 0.00 H new ATOM 1345 N GLN B 32 -6.821 8.007 -1.356 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.368 7.722 -2.674 1.00 0.00 C ATOM 1347 C GLN B 32 -6.694 6.480 -3.243 1.00 0.00 C ATOM 1348 O GLN B 32 -7.321 5.666 -3.921 1.00 0.00 O ATOM 1349 CB GLN B 32 -7.166 8.914 -3.614 1.00 0.00 C ATOM 1350 CG GLN B 32 -7.802 8.727 -4.982 1.00 0.00 C ATOM 1351 CD GLN B 32 -9.325 8.636 -4.948 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -9.934 8.890 -3.789 1.00 0.00 O flip ATOM 1353 NE2 GLN B 32 -9.955 8.350 -5.966 1.00 0.00 N flip ATOM 0 H GLN B 32 -6.370 8.918 -1.272 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.439 7.543 -2.582 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.582 9.807 -3.148 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -6.098 9.089 -3.740 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -7.512 9.559 -5.624 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -7.404 7.820 -5.436 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -9.459 8.161 -6.837 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -10.973 8.302 -5.939 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.404 6.342 -2.942 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.615 5.202 -3.394 1.00 0.00 C ATOM 1364 C PHE B 33 -5.296 3.895 -2.978 1.00 0.00 C ATOM 1365 O PHE B 33 -5.722 3.105 -3.820 1.00 0.00 O ATOM 1366 CB PHE B 33 -3.207 5.284 -2.788 1.00 0.00 C ATOM 1367 CG PHE B 33 -2.213 4.360 -3.423 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.937 4.452 -4.778 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.562 3.391 -2.669 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -1.031 3.595 -5.369 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.651 2.535 -3.260 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.389 2.639 -4.611 1.00 0.00 C ATOM 0 H PHE B 33 -4.880 7.014 -2.381 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.539 5.222 -4.481 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.844 6.308 -2.877 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.268 5.059 -1.723 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -2.435 5.201 -5.376 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -1.769 3.306 -1.613 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -0.825 3.673 -6.426 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.146 1.787 -2.666 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.320 1.970 -5.075 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.397 3.693 -1.669 1.00 0.00 N ATOM 1383 CA PHE B 34 -6.030 2.496 -1.117 1.00 0.00 C ATOM 1384 C PHE B 34 -7.524 2.507 -1.397 1.00 0.00 C ATOM 1385 O PHE B 34 -8.110 1.481 -1.739 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.753 2.396 0.379 1.00 0.00 C ATOM 1387 CG PHE B 34 -4.288 2.377 0.675 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.437 1.572 -0.066 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.755 3.175 1.669 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -2.083 1.565 0.181 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.400 3.170 1.924 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.563 2.364 1.176 1.00 0.00 C ATOM 0 H PHE B 34 -5.048 4.344 -0.966 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.604 1.617 -1.602 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -6.216 3.240 0.891 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.215 1.491 0.774 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.841 0.943 -0.846 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.406 3.809 2.252 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.429 0.935 -0.404 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -1.994 3.794 2.706 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.501 2.360 1.371 1.00 0.00 H new ATOM 1402 N ASN B 35 -8.129 3.681 -1.280 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.551 3.838 -1.555 1.00 0.00 C ATOM 1404 C ASN B 35 -9.873 3.238 -2.922 1.00 0.00 C ATOM 1405 O ASN B 35 -10.922 2.625 -3.125 1.00 0.00 O ATOM 1406 CB ASN B 35 -9.904 5.323 -1.557 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.367 5.576 -1.839 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -11.930 5.057 -2.802 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -11.981 6.401 -1.007 1.00 0.00 N ATOM 0 H ASN B 35 -7.657 4.540 -0.996 1.00 0.00 H new ATOM 0 HA ASN B 35 -10.130 3.326 -0.787 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -9.645 5.755 -0.590 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.300 5.834 -2.307 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -12.964 6.632 -1.150 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -11.471 6.807 -0.222 1.00 0.00 H new ATOM 1416 N ASP B 36 -8.945 3.440 -3.851 1.00 0.00 N ATOM 1417 CA ASP B 36 -9.086 2.946 -5.220 1.00 0.00 C ATOM 1418 C ASP B 36 -8.413 1.587 -5.427 1.00 0.00 C ATOM 1419 O ASP B 36 -8.824 0.822 -6.300 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.513 3.964 -6.207 1.00 0.00 C ATOM 1421 CG ASP B 36 -9.213 5.307 -6.129 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -10.151 5.443 -5.315 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -8.825 6.223 -6.884 1.00 0.00 O ATOM 0 H ASP B 36 -8.077 3.948 -3.680 1.00 0.00 H new ATOM 0 HA ASP B 36 -10.152 2.811 -5.402 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.450 4.100 -6.007 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.599 3.571 -7.220 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.397 1.271 -4.624 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.718 -0.018 -4.755 1.00 0.00 C ATOM 1430 C ASN B 37 -7.565 -1.110 -4.122 1.00 0.00 C ATOM 1431 O ASN B 37 -7.717 -2.199 -4.676 1.00 0.00 O ATOM 1432 CB ASN B 37 -5.341 -0.005 -4.083 1.00 0.00 C ATOM 1433 CG ASN B 37 -4.359 0.940 -4.741 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -4.265 1.001 -5.967 1.00 0.00 O ATOM 1435 ND2 ASN B 37 -3.591 1.660 -3.928 1.00 0.00 N ATOM 0 H ASN B 37 -7.031 1.877 -3.889 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.580 -0.211 -5.819 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.459 0.276 -3.036 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.928 -1.014 -4.098 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -2.891 2.293 -4.315 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.702 1.579 -2.917 1.00 0.00 H new ATOM 1442 N GLY B 38 -8.103 -0.781 -2.950 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.946 -1.679 -2.175 1.00 0.00 C ATOM 1444 C GLY B 38 -9.283 -3.002 -2.839 1.00 0.00 C ATOM 1445 O GLY B 38 -8.411 -3.840 -3.064 1.00 0.00 O ATOM 0 H GLY B 38 -7.962 0.128 -2.509 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -8.450 -1.885 -1.227 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.877 -1.163 -1.942 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.572 -3.214 -3.071 1.00 0.00 N ATOM 1450 CA VAL B 39 -11.061 -4.474 -3.624 1.00 0.00 C ATOM 1451 C VAL B 39 -11.004 -4.583 -5.150 1.00 0.00 C ATOM 1452 O VAL B 39 -10.450 -5.550 -5.673 1.00 0.00 O ATOM 1453 CB VAL B 39 -12.502 -4.743 -3.139 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -13.115 -5.940 -3.856 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -12.515 -4.957 -1.633 1.00 0.00 C ATOM 0 H VAL B 39 -11.302 -2.527 -2.884 1.00 0.00 H new ATOM 0 HA VAL B 39 -10.372 -5.232 -3.251 1.00 0.00 H new ATOM 0 HB VAL B 39 -13.109 -3.870 -3.378 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -14.129 -6.102 -3.491 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -13.141 -5.747 -4.929 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -12.513 -6.828 -3.662 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -13.536 -5.146 -1.301 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -11.888 -5.812 -1.382 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -12.131 -4.066 -1.136 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.606 -3.645 -5.870 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.639 -3.727 -7.335 1.00 0.00 C ATOM 1467 C ASP B 40 -10.437 -3.074 -8.014 1.00 0.00 C ATOM 1468 O ASP B 40 -10.532 -2.657 -9.169 1.00 0.00 O ATOM 1469 CB ASP B 40 -12.924 -3.085 -7.863 1.00 0.00 C ATOM 1470 CG ASP B 40 -14.172 -3.772 -7.344 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -14.338 -4.981 -7.607 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -14.985 -3.099 -6.676 1.00 0.00 O ATOM 0 H ASP B 40 -12.073 -2.828 -5.477 1.00 0.00 H new ATOM 0 HA ASP B 40 -11.604 -4.788 -7.580 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.946 -2.034 -7.576 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -12.922 -3.118 -8.953 1.00 0.00 H new ATOM 1477 N GLY B 41 -9.310 -2.994 -7.323 1.00 0.00 N ATOM 1478 CA GLY B 41 -8.131 -2.396 -7.927 1.00 0.00 C ATOM 1479 C GLY B 41 -7.541 -3.274 -9.021 1.00 0.00 C ATOM 1480 O GLY B 41 -7.793 -4.478 -9.056 1.00 0.00 O ATOM 0 H GLY B 41 -9.188 -3.327 -6.367 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -8.392 -1.423 -8.344 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.379 -2.221 -7.158 1.00 0.00 H new ATOM 1484 N GLU B 42 -6.752 -2.675 -9.913 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.122 -3.422 -11.005 1.00 0.00 C ATOM 1486 C GLU B 42 -4.752 -3.937 -10.573 1.00 0.00 C ATOM 1487 O GLU B 42 -3.772 -3.192 -10.576 1.00 0.00 O ATOM 1488 CB GLU B 42 -5.975 -2.537 -12.244 1.00 0.00 C ATOM 1489 CG GLU B 42 -7.296 -2.009 -12.779 1.00 0.00 C ATOM 1490 CD GLU B 42 -8.241 -3.120 -13.191 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -7.871 -3.915 -14.081 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -9.350 -3.195 -12.624 1.00 0.00 O ATOM 0 H GLU B 42 -6.534 -1.679 -9.902 1.00 0.00 H new ATOM 0 HA GLU B 42 -6.760 -4.271 -11.252 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -5.328 -1.694 -12.002 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -5.477 -3.106 -13.029 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -7.774 -1.394 -12.016 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -7.105 -1.363 -13.636 1.00 0.00 H new ATOM 1499 N TRP B 43 -4.693 -5.203 -10.175 1.00 0.00 N ATOM 1500 CA TRP B 43 -3.446 -5.798 -9.707 1.00 0.00 C ATOM 1501 C TRP B 43 -2.770 -6.667 -10.768 1.00 0.00 C ATOM 1502 O TRP B 43 -3.334 -7.664 -11.219 1.00 0.00 O ATOM 1503 CB TRP B 43 -3.704 -6.666 -8.477 1.00 0.00 C ATOM 1504 CG TRP B 43 -4.384 -5.963 -7.345 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -5.355 -5.005 -7.418 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -4.146 -6.186 -5.958 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -5.739 -4.627 -6.152 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -5.007 -5.338 -5.239 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.286 -7.027 -5.252 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -5.033 -5.308 -3.851 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -3.309 -6.998 -3.875 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -4.179 -6.145 -3.184 1.00 0.00 C ATOM 0 H TRP B 43 -5.492 -5.836 -10.167 1.00 0.00 H new ATOM 0 HA TRP B 43 -2.783 -4.967 -9.468 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -4.312 -7.520 -8.774 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -2.752 -7.061 -8.122 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -5.761 -4.603 -8.334 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -6.452 -3.932 -5.930 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -2.613 -7.690 -5.776 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.702 -4.649 -3.317 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -2.645 -7.644 -3.319 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -4.176 -6.148 -2.104 1.00 0.00 H new ATOM 1523 N THR B 44 -1.543 -6.306 -11.123 1.00 0.00 N ATOM 1524 CA THR B 44 -0.764 -7.074 -12.088 1.00 0.00 C ATOM 1525 C THR B 44 0.301 -7.877 -11.344 1.00 0.00 C ATOM 1526 O THR B 44 0.974 -7.350 -10.457 1.00 0.00 O ATOM 1527 CB THR B 44 -0.114 -6.148 -13.118 1.00 0.00 C ATOM 1528 OG1 THR B 44 0.705 -5.185 -12.481 1.00 0.00 O ATOM 1529 CG2 THR B 44 -1.118 -5.406 -13.973 1.00 0.00 C ATOM 0 H THR B 44 -1.064 -5.484 -10.756 1.00 0.00 H new ATOM 0 HA THR B 44 -1.426 -7.756 -12.623 1.00 0.00 H new ATOM 0 HB THR B 44 0.475 -6.801 -13.762 1.00 0.00 H new ATOM 0 HG1 THR B 44 0.483 -5.146 -11.527 1.00 0.00 H new ATOM 0 HG21 THR B 44 -0.591 -4.767 -14.682 1.00 0.00 H new ATOM 0 HG22 THR B 44 -1.732 -6.123 -14.518 1.00 0.00 H new ATOM 0 HG23 THR B 44 -1.755 -4.792 -13.336 1.00 0.00 H new ATOM 1537 N TYR B 45 0.442 -9.156 -11.683 1.00 0.00 N ATOM 1538 CA TYR B 45 1.417 -10.013 -11.013 1.00 0.00 C ATOM 1539 C TYR B 45 2.589 -10.358 -11.924 1.00 0.00 C ATOM 1540 O TYR B 45 2.417 -10.595 -13.119 1.00 0.00 O ATOM 1541 CB TYR B 45 0.742 -11.300 -10.530 1.00 0.00 C ATOM 1542 CG TYR B 45 1.673 -12.237 -9.792 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.598 -11.751 -8.874 1.00 0.00 C ATOM 1544 CD2 TYR B 45 1.625 -13.608 -10.010 1.00 0.00 C ATOM 1545 CE1 TYR B 45 3.447 -12.605 -8.197 1.00 0.00 C ATOM 1546 CE2 TYR B 45 2.473 -14.468 -9.336 1.00 0.00 C ATOM 1547 CZ TYR B 45 3.381 -13.961 -8.431 1.00 0.00 C ATOM 1548 OH TYR B 45 4.226 -14.814 -7.758 1.00 0.00 O ATOM 0 H TYR B 45 -0.101 -9.619 -12.411 1.00 0.00 H new ATOM 0 HA TYR B 45 1.808 -9.460 -10.159 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.090 -11.040 -9.876 1.00 0.00 H new ATOM 0 HB3 TYR B 45 0.321 -11.823 -11.389 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.653 -10.689 -8.687 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.914 -14.009 -10.717 1.00 0.00 H new ATOM 0 HE1 TYR B 45 4.159 -12.211 -7.487 1.00 0.00 H new ATOM 0 HE2 TYR B 45 2.424 -15.531 -9.518 1.00 0.00 H new ATOM 0 HH TYR B 45 4.050 -15.737 -8.037 1.00 0.00 H new ATOM 1558 N ASP B 46 3.783 -10.402 -11.338 1.00 0.00 N ATOM 1559 CA ASP B 46 4.991 -10.738 -12.079 1.00 0.00 C ATOM 1560 C ASP B 46 5.691 -11.931 -11.434 1.00 0.00 C ATOM 1561 O ASP B 46 6.638 -11.765 -10.666 1.00 0.00 O ATOM 1562 CB ASP B 46 5.936 -9.537 -12.130 1.00 0.00 C ATOM 1563 CG ASP B 46 7.203 -9.828 -12.912 1.00 0.00 C ATOM 1564 OD1 ASP B 46 7.096 -10.156 -14.113 1.00 0.00 O ATOM 1565 OD2 ASP B 46 8.299 -9.726 -12.324 1.00 0.00 O ATOM 0 H ASP B 46 3.938 -10.208 -10.349 1.00 0.00 H new ATOM 0 HA ASP B 46 4.710 -11.004 -13.098 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.419 -8.691 -12.583 1.00 0.00 H new ATOM 0 HB3 ASP B 46 6.199 -9.242 -11.114 1.00 0.00 H new ATOM 1570 N ASP B 47 5.211 -13.131 -11.744 1.00 0.00 N ATOM 1571 CA ASP B 47 5.781 -14.358 -11.189 1.00 0.00 C ATOM 1572 C ASP B 47 7.305 -14.361 -11.283 1.00 0.00 C ATOM 1573 O ASP B 47 7.990 -14.900 -10.413 1.00 0.00 O ATOM 1574 CB ASP B 47 5.215 -15.578 -11.915 1.00 0.00 C ATOM 1575 CG ASP B 47 3.708 -15.686 -11.778 1.00 0.00 C ATOM 1576 OD1 ASP B 47 3.005 -14.745 -12.203 1.00 0.00 O ATOM 1577 OD2 ASP B 47 3.232 -16.711 -11.247 1.00 0.00 O ATOM 0 H ASP B 47 4.427 -13.282 -12.378 1.00 0.00 H new ATOM 0 HA ASP B 47 5.507 -14.403 -10.135 1.00 0.00 H new ATOM 0 HB2 ASP B 47 5.478 -15.523 -12.971 1.00 0.00 H new ATOM 0 HB3 ASP B 47 5.679 -16.481 -11.518 1.00 0.00 H new ATOM 1582 N ALA B 48 7.831 -13.769 -12.351 1.00 0.00 N ATOM 1583 CA ALA B 48 9.273 -13.716 -12.571 1.00 0.00 C ATOM 1584 C ALA B 48 10.022 -13.212 -11.339 1.00 0.00 C ATOM 1585 O ALA B 48 11.156 -13.618 -11.086 1.00 0.00 O ATOM 1586 CB ALA B 48 9.586 -12.837 -13.772 1.00 0.00 C ATOM 0 H ALA B 48 7.278 -13.318 -13.080 1.00 0.00 H new ATOM 0 HA ALA B 48 9.613 -14.733 -12.767 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.664 -12.804 -13.928 1.00 0.00 H new ATOM 0 HB2 ALA B 48 9.104 -13.248 -14.659 1.00 0.00 H new ATOM 0 HB3 ALA B 48 9.215 -11.828 -13.591 1.00 0.00 H new ATOM 1592 N THR B 49 9.392 -12.323 -10.579 1.00 0.00 N ATOM 1593 CA THR B 49 10.018 -11.770 -9.379 1.00 0.00 C ATOM 1594 C THR B 49 9.115 -11.901 -8.154 1.00 0.00 C ATOM 1595 O THR B 49 9.371 -11.282 -7.121 1.00 0.00 O ATOM 1596 CB THR B 49 10.376 -10.301 -9.602 1.00 0.00 C ATOM 1597 OG1 THR B 49 9.216 -9.543 -9.898 1.00 0.00 O ATOM 1598 CG2 THR B 49 11.363 -10.087 -10.729 1.00 0.00 C ATOM 0 H THR B 49 8.454 -11.970 -10.769 1.00 0.00 H new ATOM 0 HA THR B 49 10.925 -12.344 -9.189 1.00 0.00 H new ATOM 0 HB THR B 49 10.838 -9.973 -8.671 1.00 0.00 H new ATOM 0 HG1 THR B 49 8.962 -9.686 -10.834 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.572 -9.022 -10.832 1.00 0.00 H new ATOM 0 HG22 THR B 49 12.288 -10.619 -10.508 1.00 0.00 H new ATOM 0 HG23 THR B 49 10.940 -10.465 -11.660 1.00 0.00 H new ATOM 1606 N LYS B 50 8.057 -12.700 -8.268 1.00 0.00 N ATOM 1607 CA LYS B 50 7.128 -12.889 -7.156 1.00 0.00 C ATOM 1608 C LYS B 50 6.620 -11.541 -6.649 1.00 0.00 C ATOM 1609 O LYS B 50 6.359 -11.372 -5.457 1.00 0.00 O ATOM 1610 CB LYS B 50 7.812 -13.638 -6.011 1.00 0.00 C ATOM 1611 CG LYS B 50 8.166 -15.081 -6.335 1.00 0.00 C ATOM 1612 CD LYS B 50 6.921 -15.934 -6.505 1.00 0.00 C ATOM 1613 CE LYS B 50 7.269 -17.408 -6.641 1.00 0.00 C ATOM 1614 NZ LYS B 50 8.127 -17.670 -7.827 1.00 0.00 N ATOM 0 H LYS B 50 7.822 -13.223 -9.112 1.00 0.00 H new ATOM 0 HA LYS B 50 6.284 -13.477 -7.516 1.00 0.00 H new ATOM 0 HB2 LYS B 50 8.722 -13.105 -5.736 1.00 0.00 H new ATOM 0 HB3 LYS B 50 7.158 -13.623 -5.139 1.00 0.00 H new ATOM 0 HG2 LYS B 50 8.759 -15.115 -7.249 1.00 0.00 H new ATOM 0 HG3 LYS B 50 8.785 -15.493 -5.538 1.00 0.00 H new ATOM 0 HD2 LYS B 50 6.262 -15.792 -5.648 1.00 0.00 H new ATOM 0 HD3 LYS B 50 6.372 -15.606 -7.387 1.00 0.00 H new ATOM 0 HE2 LYS B 50 7.783 -17.744 -5.740 1.00 0.00 H new ATOM 0 HE3 LYS B 50 6.352 -17.991 -6.721 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 8.243 -18.696 -7.952 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 7.680 -17.267 -8.675 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 9.059 -17.231 -7.685 1.00 0.00 H new ATOM 1628 N THR B 51 6.506 -10.580 -7.558 1.00 0.00 N ATOM 1629 CA THR B 51 6.055 -9.240 -7.200 1.00 0.00 C ATOM 1630 C THR B 51 4.680 -8.935 -7.787 1.00 0.00 C ATOM 1631 O THR B 51 4.412 -9.232 -8.951 1.00 0.00 O ATOM 1632 CB THR B 51 7.071 -8.206 -7.688 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.335 -8.424 -7.092 1.00 0.00 O ATOM 1634 CG2 THR B 51 6.665 -6.781 -7.393 1.00 0.00 C ATOM 0 H THR B 51 6.719 -10.703 -8.548 1.00 0.00 H new ATOM 0 HA THR B 51 5.972 -9.191 -6.114 1.00 0.00 H new ATOM 0 HB THR B 51 7.116 -8.337 -8.769 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.632 -9.338 -7.281 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.430 -6.100 -7.766 1.00 0.00 H new ATOM 0 HG22 THR B 51 5.716 -6.564 -7.883 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.555 -6.649 -6.317 1.00 0.00 H new ATOM 1642 N PHE B 52 3.812 -8.333 -6.973 1.00 0.00 N ATOM 1643 CA PHE B 52 2.470 -7.985 -7.423 1.00 0.00 C ATOM 1644 C PHE B 52 2.307 -6.477 -7.593 1.00 0.00 C ATOM 1645 O PHE B 52 2.018 -5.753 -6.640 1.00 0.00 O ATOM 1646 CB PHE B 52 1.418 -8.487 -6.443 1.00 0.00 C ATOM 1647 CG PHE B 52 1.441 -9.972 -6.225 1.00 0.00 C ATOM 1648 CD1 PHE B 52 2.532 -10.581 -5.624 1.00 0.00 C ATOM 1649 CD2 PHE B 52 0.368 -10.758 -6.614 1.00 0.00 C ATOM 1650 CE1 PHE B 52 2.550 -11.948 -5.417 1.00 0.00 C ATOM 1651 CE2 PHE B 52 0.381 -12.123 -6.407 1.00 0.00 C ATOM 1652 CZ PHE B 52 1.473 -12.719 -5.808 1.00 0.00 C ATOM 0 H PHE B 52 4.015 -8.079 -6.006 1.00 0.00 H new ATOM 0 HA PHE B 52 2.328 -8.468 -8.390 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.562 -7.988 -5.485 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.432 -8.199 -6.807 1.00 0.00 H new ATOM 0 HD1 PHE B 52 3.376 -9.982 -5.315 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.488 -10.298 -7.084 1.00 0.00 H new ATOM 0 HE1 PHE B 52 3.406 -12.413 -4.950 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -0.462 -12.724 -6.713 1.00 0.00 H new ATOM 0 HZ PHE B 52 1.485 -13.787 -5.645 1.00 0.00 H new ATOM 1662 N THR B 53 2.494 -6.024 -8.819 1.00 0.00 N ATOM 1663 CA THR B 53 2.366 -4.604 -9.139 1.00 0.00 C ATOM 1664 C THR B 53 0.909 -4.161 -9.193 1.00 0.00 C ATOM 1665 O THR B 53 0.092 -4.738 -9.908 1.00 0.00 O ATOM 1666 CB THR B 53 3.075 -4.254 -10.447 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.896 -5.272 -11.414 1.00 0.00 O ATOM 1668 CG2 THR B 53 4.555 -3.994 -10.280 1.00 0.00 C ATOM 0 H THR B 53 2.736 -6.615 -9.614 1.00 0.00 H new ATOM 0 HA THR B 53 2.853 -4.060 -8.330 1.00 0.00 H new ATOM 0 HB THR B 53 2.611 -3.327 -10.785 1.00 0.00 H new ATOM 0 HG1 THR B 53 2.110 -5.068 -11.963 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.993 -3.752 -11.248 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.703 -3.159 -9.596 1.00 0.00 H new ATOM 0 HG23 THR B 53 5.037 -4.884 -9.876 1.00 0.00 H new ATOM 1676 N VAL B 54 0.611 -3.109 -8.436 1.00 0.00 N ATOM 1677 CA VAL B 54 -0.729 -2.542 -8.387 1.00 0.00 C ATOM 1678 C VAL B 54 -0.690 -1.108 -8.898 1.00 0.00 C ATOM 1679 O VAL B 54 0.045 -0.274 -8.371 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.305 -2.568 -6.954 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -2.707 -1.977 -6.925 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.307 -3.989 -6.408 1.00 0.00 C ATOM 0 H VAL B 54 1.289 -2.629 -7.843 1.00 0.00 H new ATOM 0 HA VAL B 54 -1.378 -3.148 -9.019 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.668 -1.955 -6.316 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -3.093 -2.006 -5.906 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -2.674 -0.944 -7.272 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.360 -2.557 -7.577 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -1.716 -3.990 -5.398 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -1.920 -4.624 -7.048 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.287 -4.372 -6.387 1.00 0.00 H new ATOM 1692 N THR B 55 -1.467 -0.825 -9.938 1.00 0.00 N ATOM 1693 CA THR B 55 -1.488 0.512 -10.517 1.00 0.00 C ATOM 1694 C THR B 55 -2.863 1.154 -10.394 1.00 0.00 C ATOM 1695 O THR B 55 -3.874 0.556 -10.766 1.00 0.00 O ATOM 1696 CB THR B 55 -1.057 0.464 -11.981 1.00 0.00 C ATOM 1697 OG1 THR B 55 0.147 -0.271 -12.122 1.00 0.00 O ATOM 1698 CG2 THR B 55 -0.820 1.835 -12.575 1.00 0.00 C ATOM 0 H THR B 55 -2.085 -1.497 -10.393 1.00 0.00 H new ATOM 0 HA THR B 55 -0.782 1.126 -9.957 1.00 0.00 H new ATOM 0 HB THR B 55 -1.881 -0.013 -12.512 1.00 0.00 H new ATOM 0 HG1 THR B 55 0.408 -0.293 -13.066 1.00 0.00 H new ATOM 0 HG21 THR B 55 -0.516 1.733 -13.617 1.00 0.00 H new ATOM 0 HG22 THR B 55 -1.739 2.419 -12.521 1.00 0.00 H new ATOM 0 HG23 THR B 55 -0.034 2.343 -12.016 1.00 0.00 H new ATOM 1706 N GLU B 56 -2.893 2.375 -9.866 1.00 0.00 N ATOM 1707 CA GLU B 56 -4.147 3.096 -9.689 1.00 0.00 C ATOM 1708 C GLU B 56 -4.727 3.519 -11.034 1.00 0.00 C ATOM 1709 O GLU B 56 -5.901 3.187 -11.302 1.00 0.00 O ATOM 1710 CB GLU B 56 -3.929 4.326 -8.806 1.00 0.00 C ATOM 1711 CG GLU B 56 -5.194 5.132 -8.560 1.00 0.00 C ATOM 1712 CD GLU B 56 -4.950 6.348 -7.688 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -4.505 6.170 -6.533 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -5.199 7.477 -8.159 1.00 0.00 O ATOM 1715 OXT GLU B 56 -4.002 4.177 -11.810 1.00 0.00 O ATOM 0 H GLU B 56 -2.065 2.883 -9.555 1.00 0.00 H new ATOM 0 HA GLU B 56 -4.857 2.427 -9.203 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -3.520 4.007 -7.848 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -3.183 4.970 -9.272 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -5.608 5.452 -9.516 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -5.941 4.494 -8.087 1.00 0.00 H new TER 1722 GLU B 56