USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 848 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 49 THR OG1 : rot -35:sc= 0.332 USER MOD Set 1.2: B 51 THR OG1 : rot 61:sc= 1.22 USER MOD Set 2.1: B 8 ASN : amide:sc= 0.539 K(o=0.54,f=0) USER MOD Set 2.2: B 55 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: B 3 TYR OH : rot 166:sc= 0.0368 USER MOD Set 3.2: B 50 LYS NZ :NH3+ 139:sc= 0.0117 (180deg=0) USER MOD Set 4.1: A 49 THR OG1 : rot -36:sc= 0.618 USER MOD Set 4.2: A 51 THR OG1 : rot 62:sc= 1.22 USER MOD Set 5.1: A 4 LYS NZ :NH3+ -168:sc= 0.754 (180deg=0.64) USER MOD Set 5.2: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 8 ASN : amide:sc= 0.79 K(o=0.79,f=0) USER MOD Set 6.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 176:sc= 0 (180deg=-0.0332) USER MOD Single : A 1 MET N :NH3+ 164:sc= 0.595 (180deg=0.472) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00388) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 18 THR OG1 : rot 126:sc= 0.936 USER MOD Single : A 25 THR OG1 : rot -140:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 164:sc= 1.13 (180deg=0.947) USER MOD Single : A 32 GLN : amide:sc= -0.0301 X(o=-0.03,f=0) USER MOD Single : A 33 TYR OH : rot 130:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.596 K(o=0.6,f=-3.6!) USER MOD Single : A 37 ASN : amide:sc= 0.239 K(o=0.24,f=-5!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot -148:sc= 1.3 USER MOD Single : A 50 LYS NZ :NH3+ 155:sc= 1.1 (180deg=-0.149) USER MOD Single : A 53 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+ 166:sc= 0.527 (180deg=0.439) USER MOD Single : B 2 GLN : amide:sc= 0.56 K(o=0.56,f=0) USER MOD Single : B 4 LYS NZ :NH3+ -177:sc= 0.704 (180deg=0.632) USER MOD Single : B 10 LYS NZ :NH3+ 161:sc= 1.27 (180deg=1) USER MOD Single : B 11 THR OG1 : rot 81:sc= 1.22 USER MOD Single : B 13 LYS NZ :NH3+ -165:sc= 1.15 (180deg=0.983) USER MOD Single : B 16 THR OG1 : rot 180:sc= -0.0398 USER MOD Single : B 17 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 THR OG1 : rot 84:sc= 1.25 USER MOD Single : B 25 THR OG1 : rot -150:sc= 0 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ -132:sc= 1.2 (180deg=0.0359) USER MOD Single : B 32 GLN : amide:sc= -0.0328 X(o=-0.033,f=0) USER MOD Single : B 33 TYR OH : rot 150:sc= 0 USER MOD Single : B 35 ASN : amide:sc= -0.0682 X(o=-0.068,f=-0.24) USER MOD Single : B 37 ASN : amide:sc= 0.981 K(o=0.98,f=-0.16) USER MOD Single : B 44 THR OG1 : rot 73:sc= 4.7e-05 USER MOD Single : B 45 TYR OH : rot -161:sc= 1.25 USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.086 9.166 -17.201 1.00 0.00 N ATOM 2 CA MET A 1 -5.131 8.163 -16.867 1.00 0.00 C ATOM 3 C MET A 1 -4.916 7.624 -15.455 1.00 0.00 C ATOM 4 O MET A 1 -3.776 7.492 -15.013 1.00 0.00 O ATOM 5 CB MET A 1 -5.165 7.035 -17.921 1.00 0.00 C ATOM 6 CG MET A 1 -6.268 5.991 -17.694 1.00 0.00 C ATOM 7 SD MET A 1 -7.947 6.673 -17.555 1.00 0.00 S ATOM 8 CE MET A 1 -8.878 5.147 -17.255 1.00 0.00 C ATOM 0 H1 MET A 1 -4.072 9.323 -18.229 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.297 10.062 -16.717 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.157 8.816 -16.891 1.00 0.00 H new ATOM 0 HA MET A 1 -6.107 8.648 -16.888 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.299 7.479 -18.907 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.199 6.530 -17.927 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.248 5.277 -18.518 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.041 5.435 -16.785 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.925 5.389 -17.074 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.801 4.497 -18.126 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.468 4.636 -16.384 1.00 0.00 H new ATOM 20 N GLN A 2 -6.001 7.343 -14.729 1.00 0.00 N ATOM 21 CA GLN A 2 -5.956 6.687 -13.411 1.00 0.00 C ATOM 22 C GLN A 2 -5.801 5.159 -13.532 1.00 0.00 C ATOM 23 O GLN A 2 -6.457 4.515 -14.353 1.00 0.00 O ATOM 24 CB GLN A 2 -7.197 7.073 -12.593 1.00 0.00 C ATOM 25 CG GLN A 2 -7.108 6.607 -11.131 1.00 0.00 C ATOM 26 CD GLN A 2 -7.764 7.597 -10.197 1.00 0.00 C ATOM 27 OE1 GLN A 2 -8.939 7.493 -9.864 1.00 0.00 O ATOM 28 NE2 GLN A 2 -7.019 8.590 -9.756 1.00 0.00 N ATOM 0 H GLN A 2 -6.947 7.565 -15.039 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.071 7.041 -12.882 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.323 8.155 -12.619 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.083 6.638 -13.056 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -7.588 5.634 -11.028 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -6.062 6.478 -10.851 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -6.043 8.662 -10.043 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -7.418 9.287 -9.128 1.00 0.00 H new ATOM 37 N TYR A 3 -4.915 4.595 -12.712 1.00 0.00 N ATOM 38 CA TYR A 3 -4.615 3.164 -12.584 1.00 0.00 C ATOM 39 C TYR A 3 -4.773 2.688 -11.128 1.00 0.00 C ATOM 40 O TYR A 3 -4.692 3.496 -10.197 1.00 0.00 O ATOM 41 CB TYR A 3 -3.190 2.916 -13.090 1.00 0.00 C ATOM 42 CG TYR A 3 -2.999 3.203 -14.569 1.00 0.00 C ATOM 43 CD1 TYR A 3 -2.631 4.493 -14.998 1.00 0.00 C ATOM 44 CD2 TYR A 3 -3.200 2.185 -15.521 1.00 0.00 C ATOM 45 CE1 TYR A 3 -2.484 4.770 -16.368 1.00 0.00 C ATOM 46 CE2 TYR A 3 -3.056 2.466 -16.892 1.00 0.00 C ATOM 47 CZ TYR A 3 -2.713 3.761 -17.316 1.00 0.00 C ATOM 48 OH TYR A 3 -2.605 4.044 -18.643 1.00 0.00 O ATOM 0 H TYR A 3 -4.350 5.159 -12.077 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.323 2.591 -13.184 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.500 3.536 -12.518 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.922 1.878 -12.895 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.461 5.273 -14.271 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -3.465 1.189 -15.199 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -2.195 5.759 -16.691 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -3.210 1.684 -17.621 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.794 3.237 -19.166 1.00 0.00 H new ATOM 58 N LYS A 4 -4.950 1.383 -10.915 1.00 0.00 N ATOM 59 CA LYS A 4 -5.194 0.783 -9.591 1.00 0.00 C ATOM 60 C LYS A 4 -4.363 -0.497 -9.336 1.00 0.00 C ATOM 61 O LYS A 4 -3.994 -1.192 -10.279 1.00 0.00 O ATOM 62 CB LYS A 4 -6.708 0.538 -9.490 1.00 0.00 C ATOM 63 CG LYS A 4 -7.193 0.221 -8.071 1.00 0.00 C ATOM 64 CD LYS A 4 -8.728 0.192 -8.043 1.00 0.00 C ATOM 65 CE LYS A 4 -9.265 -0.276 -6.689 1.00 0.00 C ATOM 66 NZ LYS A 4 -9.043 0.701 -5.604 1.00 0.00 N ATOM 0 H LYS A 4 -4.928 0.696 -11.669 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.862 1.464 -8.807 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.234 1.420 -9.854 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.977 -0.288 -10.148 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.796 -0.741 -7.747 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.821 0.971 -7.373 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.114 1.188 -8.262 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.093 -0.471 -8.827 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.333 -0.473 -6.778 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.788 -1.219 -6.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.239 0.252 -4.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.055 1.026 -5.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.678 1.514 -5.734 1.00 0.00 H new ATOM 80 N LEU A 5 -4.105 -0.831 -8.070 1.00 0.00 N ATOM 81 CA LEU A 5 -3.275 -1.941 -7.579 1.00 0.00 C ATOM 82 C LEU A 5 -4.000 -2.682 -6.439 1.00 0.00 C ATOM 83 O LEU A 5 -4.443 -2.053 -5.475 1.00 0.00 O ATOM 84 CB LEU A 5 -1.947 -1.331 -7.084 1.00 0.00 C ATOM 85 CG LEU A 5 -0.745 -2.233 -6.741 1.00 0.00 C ATOM 86 CD1 LEU A 5 -0.934 -3.110 -5.504 1.00 0.00 C ATOM 87 CD2 LEU A 5 -0.325 -3.115 -7.910 1.00 0.00 C ATOM 0 H LEU A 5 -4.500 -0.293 -7.299 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.086 -2.668 -8.369 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.613 -0.628 -7.847 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.175 -0.748 -6.192 1.00 0.00 H new ATOM 0 HG LEU A 5 0.046 -1.518 -6.514 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.038 -3.709 -5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.111 -2.478 -4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.789 -3.770 -5.653 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.525 -3.730 -7.615 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.156 -3.759 -8.197 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.043 -2.488 -8.756 1.00 0.00 H new ATOM 99 N ILE A 6 -4.090 -4.009 -6.523 1.00 0.00 N ATOM 100 CA ILE A 6 -4.713 -4.882 -5.512 1.00 0.00 C ATOM 101 C ILE A 6 -3.640 -5.757 -4.849 1.00 0.00 C ATOM 102 O ILE A 6 -2.900 -6.462 -5.537 1.00 0.00 O ATOM 103 CB ILE A 6 -5.815 -5.758 -6.157 1.00 0.00 C ATOM 104 CG1 ILE A 6 -6.847 -4.871 -6.892 1.00 0.00 C ATOM 105 CG2 ILE A 6 -6.482 -6.653 -5.089 1.00 0.00 C ATOM 106 CD1 ILE A 6 -7.932 -5.649 -7.641 1.00 0.00 C ATOM 0 H ILE A 6 -3.721 -4.529 -7.320 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.181 -4.262 -4.747 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.361 -6.415 -6.899 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.325 -4.213 -6.166 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.320 -4.233 -7.601 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.255 -7.263 -5.557 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.731 -7.301 -4.637 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.931 -6.027 -4.318 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.612 -4.949 -8.127 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.468 -6.286 -8.394 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.489 -6.266 -6.936 1.00 0.00 H new ATOM 118 N LEU A 7 -3.574 -5.732 -3.518 1.00 0.00 N ATOM 119 CA LEU A 7 -2.602 -6.459 -2.703 1.00 0.00 C ATOM 120 C LEU A 7 -3.256 -7.659 -1.985 1.00 0.00 C ATOM 121 O LEU A 7 -4.152 -7.508 -1.150 1.00 0.00 O ATOM 122 CB LEU A 7 -1.908 -5.482 -1.737 1.00 0.00 C ATOM 123 CG LEU A 7 -0.831 -6.147 -0.860 1.00 0.00 C ATOM 124 CD1 LEU A 7 0.390 -6.585 -1.669 1.00 0.00 C ATOM 125 CD2 LEU A 7 -0.362 -5.180 0.220 1.00 0.00 C ATOM 0 H LEU A 7 -4.223 -5.182 -2.955 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.834 -6.886 -3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.451 -4.677 -2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.659 -5.025 -1.093 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.292 -7.030 -0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.120 -7.048 -1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.084 -7.304 -2.429 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.838 -5.716 -2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.399 -5.661 0.834 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.058 -4.289 -0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.208 -4.897 0.847 1.00 0.00 H new ATOM 137 N ASN A 8 -2.733 -8.838 -2.310 1.00 0.00 N ATOM 138 CA ASN A 8 -3.042 -10.105 -1.655 1.00 0.00 C ATOM 139 C ASN A 8 -1.774 -10.704 -1.019 1.00 0.00 C ATOM 140 O ASN A 8 -0.699 -10.720 -1.624 1.00 0.00 O ATOM 141 CB ASN A 8 -3.691 -11.083 -2.644 1.00 0.00 C ATOM 142 CG ASN A 8 -4.743 -10.483 -3.557 1.00 0.00 C ATOM 143 OD1 ASN A 8 -5.936 -10.487 -3.275 1.00 0.00 O ATOM 144 ND2 ASN A 8 -4.307 -9.999 -4.697 1.00 0.00 N ATOM 0 H ASN A 8 -2.056 -8.941 -3.066 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.761 -9.920 -0.857 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.907 -11.523 -3.261 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.146 -11.896 -2.079 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.967 -9.614 -5.373 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.309 -10.008 -4.906 1.00 0.00 H new ATOM 151 N GLY A 9 -1.907 -11.199 0.208 1.00 0.00 N ATOM 152 CA GLY A 9 -0.790 -11.708 1.013 1.00 0.00 C ATOM 153 C GLY A 9 -1.142 -12.083 2.457 1.00 0.00 C ATOM 154 O GLY A 9 -2.306 -12.032 2.862 1.00 0.00 O ATOM 0 H GLY A 9 -2.807 -11.261 0.683 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.377 -12.586 0.517 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.004 -10.953 1.032 1.00 0.00 H new ATOM 158 N LYS A 10 -0.127 -12.469 3.230 1.00 0.00 N ATOM 159 CA LYS A 10 -0.247 -12.957 4.613 1.00 0.00 C ATOM 160 C LYS A 10 0.318 -11.945 5.634 1.00 0.00 C ATOM 161 O LYS A 10 -0.243 -11.768 6.717 1.00 0.00 O ATOM 162 CB LYS A 10 0.488 -14.305 4.740 1.00 0.00 C ATOM 163 CG LYS A 10 -0.020 -15.378 3.757 1.00 0.00 C ATOM 164 CD LYS A 10 0.780 -16.682 3.905 1.00 0.00 C ATOM 165 CE LYS A 10 0.368 -17.747 2.878 1.00 0.00 C ATOM 166 NZ LYS A 10 0.799 -17.408 1.504 1.00 0.00 N ATOM 0 H LYS A 10 0.839 -12.452 2.903 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.306 -13.085 4.838 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.553 -14.146 4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.377 -14.676 5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.077 -15.573 3.940 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.064 -15.009 2.735 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.843 -16.467 3.793 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.639 -17.078 4.911 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.798 -18.707 3.163 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.715 -17.865 2.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.526 -18.174 0.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.342 -16.523 1.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 1.832 -17.289 1.484 1.00 0.00 H new ATOM 180 N THR A 11 1.388 -11.232 5.272 1.00 0.00 N ATOM 181 CA THR A 11 1.970 -10.127 6.063 1.00 0.00 C ATOM 182 C THR A 11 1.159 -8.825 5.931 1.00 0.00 C ATOM 183 O THR A 11 1.042 -8.046 6.883 1.00 0.00 O ATOM 184 CB THR A 11 3.411 -9.850 5.582 1.00 0.00 C ATOM 185 OG1 THR A 11 4.185 -11.032 5.610 1.00 0.00 O ATOM 186 CG2 THR A 11 4.158 -8.807 6.413 1.00 0.00 C ATOM 0 H THR A 11 1.891 -11.406 4.402 1.00 0.00 H new ATOM 0 HA THR A 11 1.956 -10.438 7.108 1.00 0.00 H new ATOM 0 HB THR A 11 3.292 -9.464 4.570 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.094 -10.835 5.300 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.161 -8.671 6.010 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.621 -7.859 6.376 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.225 -9.146 7.447 1.00 0.00 H new ATOM 194 N LEU A 12 0.583 -8.588 4.748 1.00 0.00 N ATOM 195 CA LEU A 12 -0.229 -7.410 4.425 1.00 0.00 C ATOM 196 C LEU A 12 -1.277 -7.722 3.333 1.00 0.00 C ATOM 197 O LEU A 12 -1.033 -8.541 2.443 1.00 0.00 O ATOM 198 CB LEU A 12 0.732 -6.275 3.994 1.00 0.00 C ATOM 199 CG LEU A 12 0.125 -4.859 4.027 1.00 0.00 C ATOM 200 CD1 LEU A 12 -0.129 -4.389 5.456 1.00 0.00 C ATOM 201 CD2 LEU A 12 1.078 -3.842 3.405 1.00 0.00 C ATOM 0 H LEU A 12 0.672 -9.233 3.963 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.797 -7.098 5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.607 -6.294 4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.082 -6.480 2.982 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.810 -4.920 3.470 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.557 -3.387 5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.823 -5.072 5.946 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.812 -4.372 6.006 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.626 -2.851 3.441 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.015 -3.834 3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.274 -4.114 2.368 1.00 0.00 H new ATOM 213 N LYS A 13 -2.419 -7.037 3.374 1.00 0.00 N ATOM 214 CA LYS A 13 -3.453 -7.025 2.322 1.00 0.00 C ATOM 215 C LYS A 13 -3.950 -5.584 2.106 1.00 0.00 C ATOM 216 O LYS A 13 -3.850 -4.769 3.023 1.00 0.00 O ATOM 217 CB LYS A 13 -4.637 -7.926 2.720 1.00 0.00 C ATOM 218 CG LYS A 13 -4.260 -9.413 2.816 1.00 0.00 C ATOM 219 CD LYS A 13 -5.445 -10.312 3.201 1.00 0.00 C ATOM 220 CE LYS A 13 -6.534 -10.348 2.121 1.00 0.00 C ATOM 221 NZ LYS A 13 -7.643 -11.251 2.492 1.00 0.00 N ATOM 0 H LYS A 13 -2.666 -6.449 4.170 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.019 -7.406 1.398 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.030 -7.595 3.681 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.437 -7.807 1.990 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.858 -9.742 1.858 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.466 -9.533 3.553 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.084 -11.325 3.382 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.878 -9.956 4.136 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.922 -9.342 1.962 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.099 -10.675 1.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.359 -11.249 1.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.277 -12.216 2.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.074 -10.924 3.380 1.00 0.00 H new ATOM 235 N GLY A 14 -4.488 -5.235 0.934 1.00 0.00 N ATOM 236 CA GLY A 14 -4.942 -3.856 0.673 1.00 0.00 C ATOM 237 C GLY A 14 -5.234 -3.490 -0.785 1.00 0.00 C ATOM 238 O GLY A 14 -5.265 -4.346 -1.671 1.00 0.00 O ATOM 0 H GLY A 14 -4.621 -5.878 0.154 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.847 -3.680 1.255 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.182 -3.171 1.050 1.00 0.00 H new ATOM 242 N GLU A 15 -5.427 -2.190 -1.027 1.00 0.00 N ATOM 243 CA GLU A 15 -5.610 -1.563 -2.354 1.00 0.00 C ATOM 244 C GLU A 15 -4.961 -0.180 -2.420 1.00 0.00 C ATOM 245 O GLU A 15 -5.033 0.594 -1.465 1.00 0.00 O ATOM 246 CB GLU A 15 -7.095 -1.371 -2.696 1.00 0.00 C ATOM 247 CG GLU A 15 -7.876 -2.667 -2.914 1.00 0.00 C ATOM 248 CD GLU A 15 -9.360 -2.387 -3.128 1.00 0.00 C ATOM 249 OE1 GLU A 15 -9.705 -1.355 -3.748 1.00 0.00 O ATOM 250 OE2 GLU A 15 -10.184 -3.213 -2.676 1.00 0.00 O ATOM 0 H GLU A 15 -5.463 -1.507 -0.271 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.139 -2.244 -3.064 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.569 -0.809 -1.891 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.170 -0.762 -3.597 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.475 -3.196 -3.779 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.747 -3.322 -2.052 1.00 0.00 H new ATOM 257 N THR A 16 -4.380 0.140 -3.574 1.00 0.00 N ATOM 258 CA THR A 16 -3.817 1.473 -3.872 1.00 0.00 C ATOM 259 C THR A 16 -4.140 1.968 -5.290 1.00 0.00 C ATOM 260 O THR A 16 -4.436 1.181 -6.187 1.00 0.00 O ATOM 261 CB THR A 16 -2.295 1.575 -3.604 1.00 0.00 C ATOM 262 OG1 THR A 16 -1.522 1.050 -4.652 1.00 0.00 O ATOM 263 CG2 THR A 16 -1.806 0.859 -2.346 1.00 0.00 C ATOM 0 H THR A 16 -4.281 -0.521 -4.344 1.00 0.00 H new ATOM 0 HA THR A 16 -4.320 2.134 -3.167 1.00 0.00 H new ATOM 0 HB THR A 16 -2.162 2.651 -3.490 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.571 1.140 -4.434 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.728 0.990 -2.248 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.303 1.279 -1.472 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.037 -0.204 -2.419 1.00 0.00 H new ATOM 271 N THR A 17 -4.133 3.285 -5.490 1.00 0.00 N ATOM 272 CA THR A 17 -4.594 3.953 -6.723 1.00 0.00 C ATOM 273 C THR A 17 -3.762 5.216 -7.000 1.00 0.00 C ATOM 274 O THR A 17 -3.425 5.957 -6.068 1.00 0.00 O ATOM 275 CB THR A 17 -6.088 4.354 -6.614 1.00 0.00 C ATOM 276 OG1 THR A 17 -6.856 3.462 -5.825 1.00 0.00 O ATOM 277 CG2 THR A 17 -6.787 4.418 -7.968 1.00 0.00 C ATOM 0 H THR A 17 -3.799 3.942 -4.784 1.00 0.00 H new ATOM 0 HA THR A 17 -4.470 3.245 -7.542 1.00 0.00 H new ATOM 0 HB THR A 17 -6.045 5.338 -6.147 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.786 3.770 -5.794 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.829 4.704 -7.826 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.291 5.156 -8.599 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.741 3.440 -8.448 1.00 0.00 H new ATOM 285 N THR A 18 -3.418 5.481 -8.265 1.00 0.00 N ATOM 286 CA THR A 18 -2.631 6.655 -8.693 1.00 0.00 C ATOM 287 C THR A 18 -2.954 7.056 -10.146 1.00 0.00 C ATOM 288 O THR A 18 -3.522 6.267 -10.903 1.00 0.00 O ATOM 289 CB THR A 18 -1.114 6.382 -8.554 1.00 0.00 C ATOM 290 OG1 THR A 18 -0.385 7.588 -8.603 1.00 0.00 O ATOM 291 CG2 THR A 18 -0.542 5.424 -9.608 1.00 0.00 C ATOM 0 H THR A 18 -3.682 4.875 -9.041 1.00 0.00 H new ATOM 0 HA THR A 18 -2.907 7.482 -8.039 1.00 0.00 H new ATOM 0 HB THR A 18 -1.006 5.895 -7.585 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.193 7.653 -7.814 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.526 5.289 -9.436 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.046 4.460 -9.535 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.699 5.841 -10.603 1.00 0.00 H new ATOM 299 N GLU A 19 -2.584 8.272 -10.554 1.00 0.00 N ATOM 300 CA GLU A 19 -2.763 8.827 -11.915 1.00 0.00 C ATOM 301 C GLU A 19 -1.408 9.054 -12.583 1.00 0.00 C ATOM 302 O GLU A 19 -0.539 9.721 -12.021 1.00 0.00 O ATOM 303 CB GLU A 19 -3.598 10.115 -11.862 1.00 0.00 C ATOM 304 CG GLU A 19 -3.927 10.672 -13.245 1.00 0.00 C ATOM 305 CD GLU A 19 -4.836 11.886 -13.110 1.00 0.00 C ATOM 306 OE1 GLU A 19 -4.315 12.996 -12.861 1.00 0.00 O ATOM 307 OE2 GLU A 19 -6.066 11.726 -13.272 1.00 0.00 O ATOM 0 H GLU A 19 -2.130 8.933 -9.923 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.310 8.106 -12.523 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.526 9.917 -11.326 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.056 10.870 -11.292 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.009 10.950 -13.763 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.415 9.907 -13.849 1.00 0.00 H new ATOM 314 N ALA A 20 -1.214 8.461 -13.761 1.00 0.00 N ATOM 315 CA ALA A 20 0.055 8.383 -14.471 1.00 0.00 C ATOM 316 C ALA A 20 -0.112 8.678 -15.970 1.00 0.00 C ATOM 317 O ALA A 20 -1.222 8.647 -16.517 1.00 0.00 O ATOM 318 CB ALA A 20 0.621 6.980 -14.254 1.00 0.00 C ATOM 0 H ALA A 20 -1.973 8.003 -14.265 1.00 0.00 H new ATOM 0 HA ALA A 20 0.739 9.138 -14.083 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.574 6.888 -14.774 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.771 6.809 -13.188 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.079 6.241 -14.645 1.00 0.00 H new ATOM 324 N VAL A 21 1.010 8.934 -16.643 1.00 0.00 N ATOM 325 CA VAL A 21 1.017 9.168 -18.102 1.00 0.00 C ATOM 326 C VAL A 21 0.614 7.903 -18.872 1.00 0.00 C ATOM 327 O VAL A 21 -0.196 7.988 -19.801 1.00 0.00 O ATOM 328 CB VAL A 21 2.353 9.760 -18.587 1.00 0.00 C ATOM 329 CG1 VAL A 21 3.539 8.897 -18.159 1.00 0.00 C ATOM 330 CG2 VAL A 21 2.402 9.984 -20.102 1.00 0.00 C ATOM 0 H VAL A 21 1.931 8.986 -16.208 1.00 0.00 H new ATOM 0 HA VAL A 21 0.260 9.922 -18.317 1.00 0.00 H new ATOM 0 HB VAL A 21 2.425 10.737 -18.108 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.465 9.346 -18.519 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.567 8.831 -17.071 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.433 7.898 -18.581 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.370 10.403 -20.377 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.259 9.033 -20.615 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.612 10.676 -20.393 1.00 0.00 H new ATOM 340 N ASP A 22 1.082 6.717 -18.454 1.00 0.00 N ATOM 341 CA ASP A 22 0.767 5.415 -19.054 1.00 0.00 C ATOM 342 C ASP A 22 0.860 4.294 -18.009 1.00 0.00 C ATOM 343 O ASP A 22 1.400 4.460 -16.913 1.00 0.00 O ATOM 344 CB ASP A 22 1.798 5.150 -20.175 1.00 0.00 C ATOM 345 CG ASP A 22 1.601 3.857 -20.992 1.00 0.00 C ATOM 346 OD1 ASP A 22 0.681 3.809 -21.842 1.00 0.00 O ATOM 347 OD2 ASP A 22 2.362 2.889 -20.755 1.00 0.00 O ATOM 0 H ASP A 22 1.715 6.637 -17.658 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.250 5.431 -19.447 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.781 5.995 -20.863 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.791 5.124 -19.727 1.00 0.00 H new ATOM 352 N ALA A 23 0.382 3.136 -18.430 1.00 0.00 N ATOM 353 CA ALA A 23 0.405 1.870 -17.701 1.00 0.00 C ATOM 354 C ALA A 23 1.814 1.501 -17.193 1.00 0.00 C ATOM 355 O ALA A 23 1.944 0.939 -16.112 1.00 0.00 O ATOM 356 CB ALA A 23 -0.178 0.761 -18.586 1.00 0.00 C ATOM 0 H ALA A 23 -0.060 3.044 -19.345 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.213 1.984 -16.810 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.161 -0.184 -18.043 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.206 1.009 -18.851 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.418 0.669 -19.494 1.00 0.00 H new ATOM 362 N ALA A 24 2.876 1.869 -17.913 1.00 0.00 N ATOM 363 CA ALA A 24 4.261 1.648 -17.526 1.00 0.00 C ATOM 364 C ALA A 24 4.707 2.592 -16.395 1.00 0.00 C ATOM 365 O ALA A 24 5.412 2.163 -15.488 1.00 0.00 O ATOM 366 CB ALA A 24 5.158 1.802 -18.759 1.00 0.00 C ATOM 0 H ALA A 24 2.787 2.345 -18.811 1.00 0.00 H new ATOM 0 HA ALA A 24 4.351 0.635 -17.133 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.198 1.638 -18.475 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.868 1.071 -19.514 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.048 2.807 -19.166 1.00 0.00 H new ATOM 372 N THR A 25 4.273 3.857 -16.381 1.00 0.00 N ATOM 373 CA THR A 25 4.525 4.791 -15.269 1.00 0.00 C ATOM 374 C THR A 25 3.720 4.431 -14.014 1.00 0.00 C ATOM 375 O THR A 25 4.288 4.380 -12.926 1.00 0.00 O ATOM 376 CB THR A 25 4.256 6.237 -15.696 1.00 0.00 C ATOM 377 OG1 THR A 25 5.043 6.517 -16.833 1.00 0.00 O ATOM 378 CG2 THR A 25 4.615 7.264 -14.621 1.00 0.00 C ATOM 0 H THR A 25 3.734 4.268 -17.143 1.00 0.00 H new ATOM 0 HA THR A 25 5.580 4.699 -15.009 1.00 0.00 H new ATOM 0 HB THR A 25 3.187 6.319 -15.890 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.404 7.426 -16.765 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.400 8.267 -14.990 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.026 7.073 -13.724 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.676 7.185 -14.382 1.00 0.00 H new ATOM 386 N ALA A 26 2.435 4.083 -14.132 1.00 0.00 N ATOM 387 CA ALA A 26 1.669 3.564 -12.990 1.00 0.00 C ATOM 388 C ALA A 26 2.231 2.236 -12.440 1.00 0.00 C ATOM 389 O ALA A 26 2.347 2.073 -11.225 1.00 0.00 O ATOM 390 CB ALA A 26 0.207 3.399 -13.390 1.00 0.00 C ATOM 0 H ALA A 26 1.904 4.150 -15.000 1.00 0.00 H new ATOM 0 HA ALA A 26 1.756 4.291 -12.183 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.361 3.014 -12.543 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.199 4.365 -13.690 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.134 2.700 -14.223 1.00 0.00 H new ATOM 396 N GLU A 27 2.688 1.352 -13.339 1.00 0.00 N ATOM 397 CA GLU A 27 3.448 0.136 -12.970 1.00 0.00 C ATOM 398 C GLU A 27 4.754 0.501 -12.275 1.00 0.00 C ATOM 399 O GLU A 27 5.102 -0.126 -11.279 1.00 0.00 O ATOM 400 CB GLU A 27 3.751 -0.797 -14.157 1.00 0.00 C ATOM 401 CG GLU A 27 4.239 -2.172 -13.692 1.00 0.00 C ATOM 402 CD GLU A 27 4.764 -2.990 -14.863 1.00 0.00 C ATOM 403 OE1 GLU A 27 3.953 -3.442 -15.700 1.00 0.00 O ATOM 404 OE2 GLU A 27 5.995 -3.212 -14.912 1.00 0.00 O ATOM 0 H GLU A 27 2.544 1.455 -14.344 1.00 0.00 H new ATOM 0 HA GLU A 27 2.796 -0.413 -12.290 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.853 -0.916 -14.763 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.508 -0.340 -14.794 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.026 -2.050 -12.948 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.422 -2.707 -13.208 1.00 0.00 H new ATOM 411 N LYS A 28 5.459 1.542 -12.721 1.00 0.00 N ATOM 412 CA LYS A 28 6.675 2.021 -12.039 1.00 0.00 C ATOM 413 C LYS A 28 6.397 2.601 -10.637 1.00 0.00 C ATOM 414 O LYS A 28 7.098 2.254 -9.687 1.00 0.00 O ATOM 415 CB LYS A 28 7.377 3.036 -12.962 1.00 0.00 C ATOM 416 CG LYS A 28 8.711 3.571 -12.420 1.00 0.00 C ATOM 417 CD LYS A 28 9.404 4.522 -13.412 1.00 0.00 C ATOM 418 CE LYS A 28 8.586 5.789 -13.708 1.00 0.00 C ATOM 419 NZ LYS A 28 9.293 6.697 -14.634 1.00 0.00 N ATOM 0 H LYS A 28 5.212 2.075 -13.555 1.00 0.00 H new ATOM 0 HA LYS A 28 7.333 1.171 -11.856 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.554 2.566 -13.930 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.705 3.877 -13.134 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.535 4.095 -11.480 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.373 2.734 -12.199 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.376 4.810 -13.011 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.589 3.991 -14.346 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.625 5.508 -14.138 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.377 6.312 -12.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.708 7.539 -14.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.199 6.986 -14.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.470 6.206 -15.534 1.00 0.00 H new ATOM 433 N VAL A 29 5.378 3.449 -10.451 1.00 0.00 N ATOM 434 CA VAL A 29 4.960 3.943 -9.118 1.00 0.00 C ATOM 435 C VAL A 29 4.553 2.789 -8.192 1.00 0.00 C ATOM 436 O VAL A 29 5.062 2.674 -7.078 1.00 0.00 O ATOM 437 CB VAL A 29 3.813 4.967 -9.259 1.00 0.00 C ATOM 438 CG1 VAL A 29 3.220 5.404 -7.913 1.00 0.00 C ATOM 439 CG2 VAL A 29 4.313 6.234 -9.970 1.00 0.00 C ATOM 0 H VAL A 29 4.814 3.817 -11.217 1.00 0.00 H new ATOM 0 HA VAL A 29 5.816 4.441 -8.661 1.00 0.00 H new ATOM 0 HB VAL A 29 3.038 4.460 -9.834 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.419 6.124 -8.085 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.820 4.534 -7.392 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.998 5.865 -7.305 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.494 6.947 -10.062 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.120 6.682 -9.390 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.681 5.973 -10.962 1.00 0.00 H new ATOM 449 N PHE A 30 3.700 1.881 -8.665 1.00 0.00 N ATOM 450 CA PHE A 30 3.325 0.705 -7.878 1.00 0.00 C ATOM 451 C PHE A 30 4.527 -0.194 -7.526 1.00 0.00 C ATOM 452 O PHE A 30 4.660 -0.634 -6.383 1.00 0.00 O ATOM 453 CB PHE A 30 2.260 -0.118 -8.603 1.00 0.00 C ATOM 454 CG PHE A 30 0.917 0.559 -8.837 1.00 0.00 C ATOM 455 CD1 PHE A 30 0.324 1.377 -7.849 1.00 0.00 C ATOM 456 CD2 PHE A 30 0.242 0.357 -10.058 1.00 0.00 C ATOM 457 CE1 PHE A 30 -0.915 1.997 -8.093 1.00 0.00 C ATOM 458 CE2 PHE A 30 -0.993 0.983 -10.300 1.00 0.00 C ATOM 459 CZ PHE A 30 -1.571 1.801 -9.318 1.00 0.00 C ATOM 0 H PHE A 30 3.258 1.935 -9.583 1.00 0.00 H new ATOM 0 HA PHE A 30 2.919 1.086 -6.941 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.662 -0.420 -9.570 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.087 -1.030 -8.032 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.824 1.527 -6.903 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.676 -0.283 -10.812 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.362 2.625 -7.336 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.498 0.834 -11.243 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.521 2.280 -9.505 1.00 0.00 H new ATOM 469 N LYS A 31 5.446 -0.421 -8.468 1.00 0.00 N ATOM 470 CA LYS A 31 6.675 -1.166 -8.182 1.00 0.00 C ATOM 471 C LYS A 31 7.619 -0.409 -7.240 1.00 0.00 C ATOM 472 O LYS A 31 8.332 -1.043 -6.469 1.00 0.00 O ATOM 473 CB LYS A 31 7.393 -1.587 -9.470 1.00 0.00 C ATOM 474 CG LYS A 31 6.692 -2.812 -10.075 1.00 0.00 C ATOM 475 CD LYS A 31 7.377 -3.287 -11.358 1.00 0.00 C ATOM 476 CE LYS A 31 6.705 -4.580 -11.834 1.00 0.00 C ATOM 477 NZ LYS A 31 7.241 -5.029 -13.133 1.00 0.00 N ATOM 0 H LYS A 31 5.363 -0.101 -9.433 1.00 0.00 H new ATOM 0 HA LYS A 31 6.370 -2.072 -7.658 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.391 -0.764 -10.185 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.436 -1.821 -9.257 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.685 -3.623 -9.346 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.652 -2.566 -10.289 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.306 -2.520 -12.129 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.438 -3.459 -11.177 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.853 -5.362 -11.090 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.630 -4.421 -11.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.974 -6.021 -13.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.850 -4.437 -13.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.278 -4.946 -13.128 1.00 0.00 H new ATOM 491 N GLN A 32 7.612 0.925 -7.185 1.00 0.00 N ATOM 492 CA GLN A 32 8.363 1.683 -6.169 1.00 0.00 C ATOM 493 C GLN A 32 7.830 1.456 -4.736 1.00 0.00 C ATOM 494 O GLN A 32 8.618 1.417 -3.791 1.00 0.00 O ATOM 495 CB GLN A 32 8.346 3.172 -6.560 1.00 0.00 C ATOM 496 CG GLN A 32 9.461 3.506 -7.556 1.00 0.00 C ATOM 497 CD GLN A 32 9.329 4.924 -8.062 1.00 0.00 C ATOM 498 OE1 GLN A 32 10.047 5.827 -7.651 1.00 0.00 O ATOM 499 NE2 GLN A 32 8.401 5.160 -8.965 1.00 0.00 N ATOM 0 H GLN A 32 7.091 1.511 -7.837 1.00 0.00 H new ATOM 0 HA GLN A 32 9.391 1.320 -6.149 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.380 3.423 -6.997 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.460 3.785 -5.666 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.432 3.376 -7.078 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.424 2.812 -8.395 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.809 4.399 -9.299 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.273 6.104 -9.331 1.00 0.00 H new ATOM 508 N TYR A 33 6.522 1.233 -4.574 1.00 0.00 N ATOM 509 CA TYR A 33 5.883 0.895 -3.284 1.00 0.00 C ATOM 510 C TYR A 33 5.764 -0.624 -2.980 1.00 0.00 C ATOM 511 O TYR A 33 5.493 -0.995 -1.839 1.00 0.00 O ATOM 512 CB TYR A 33 4.508 1.581 -3.214 1.00 0.00 C ATOM 513 CG TYR A 33 4.546 3.070 -2.890 1.00 0.00 C ATOM 514 CD1 TYR A 33 5.018 4.008 -3.831 1.00 0.00 C ATOM 515 CD2 TYR A 33 4.062 3.531 -1.648 1.00 0.00 C ATOM 516 CE1 TYR A 33 4.992 5.384 -3.540 1.00 0.00 C ATOM 517 CE2 TYR A 33 4.022 4.909 -1.363 1.00 0.00 C ATOM 518 CZ TYR A 33 4.479 5.835 -2.315 1.00 0.00 C ATOM 519 OH TYR A 33 4.413 7.170 -2.064 1.00 0.00 O ATOM 0 H TYR A 33 5.859 1.282 -5.347 1.00 0.00 H new ATOM 0 HA TYR A 33 6.547 1.269 -2.505 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.002 1.445 -4.170 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.905 1.076 -2.460 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.402 3.668 -4.781 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.719 2.821 -0.910 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.368 6.095 -4.261 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.640 5.254 -0.413 1.00 0.00 H new ATOM 0 HH TYR A 33 3.514 7.400 -1.750 1.00 0.00 H new ATOM 529 N PHE A 34 5.978 -1.482 -3.984 1.00 0.00 N ATOM 530 CA PHE A 34 5.753 -2.946 -3.898 1.00 0.00 C ATOM 531 C PHE A 34 6.824 -3.859 -4.560 1.00 0.00 C ATOM 532 O PHE A 34 6.545 -5.013 -4.890 1.00 0.00 O ATOM 533 CB PHE A 34 4.315 -3.280 -4.350 1.00 0.00 C ATOM 534 CG PHE A 34 3.220 -2.615 -3.529 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.026 -2.988 -2.183 1.00 0.00 C ATOM 536 CD2 PHE A 34 2.407 -1.611 -4.093 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.044 -2.349 -1.404 1.00 0.00 C ATOM 538 CE2 PHE A 34 1.426 -0.972 -3.314 1.00 0.00 C ATOM 539 CZ PHE A 34 1.247 -1.339 -1.969 1.00 0.00 C ATOM 0 H PHE A 34 6.318 -1.183 -4.898 1.00 0.00 H new ATOM 0 HA PHE A 34 5.877 -3.195 -2.844 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.199 -2.985 -5.393 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.177 -4.360 -4.307 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.634 -3.768 -1.748 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.538 -1.331 -5.128 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.903 -2.635 -0.372 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.810 -0.199 -3.749 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.497 -0.845 -1.370 1.00 0.00 H new ATOM 549 N ASN A 35 8.060 -3.378 -4.745 1.00 0.00 N ATOM 550 CA ASN A 35 9.173 -4.132 -5.364 1.00 0.00 C ATOM 551 C ASN A 35 9.533 -5.463 -4.648 1.00 0.00 C ATOM 552 O ASN A 35 9.297 -6.549 -5.187 1.00 0.00 O ATOM 553 CB ASN A 35 10.413 -3.222 -5.531 1.00 0.00 C ATOM 554 CG ASN A 35 10.710 -2.324 -4.336 1.00 0.00 C ATOM 555 OD1 ASN A 35 11.221 -2.753 -3.310 1.00 0.00 O ATOM 556 ND2 ASN A 35 10.355 -1.061 -4.424 1.00 0.00 N ATOM 0 H ASN A 35 8.326 -2.434 -4.465 1.00 0.00 H new ATOM 0 HA ASN A 35 8.815 -4.439 -6.347 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.284 -3.849 -5.722 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.271 -2.596 -6.412 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.505 -0.433 -3.634 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.930 -0.709 -5.282 1.00 0.00 H new ATOM 563 N ASP A 36 10.122 -5.378 -3.447 1.00 0.00 N ATOM 564 CA ASP A 36 10.652 -6.495 -2.630 1.00 0.00 C ATOM 565 C ASP A 36 10.816 -6.126 -1.140 1.00 0.00 C ATOM 566 O ASP A 36 11.577 -6.747 -0.394 1.00 0.00 O ATOM 567 CB ASP A 36 11.977 -7.005 -3.231 1.00 0.00 C ATOM 568 CG ASP A 36 13.103 -5.948 -3.337 1.00 0.00 C ATOM 569 OD1 ASP A 36 13.774 -5.657 -2.318 1.00 0.00 O ATOM 570 OD2 ASP A 36 13.345 -5.437 -4.459 1.00 0.00 O ATOM 0 H ASP A 36 10.252 -4.477 -2.987 1.00 0.00 H new ATOM 0 HA ASP A 36 9.915 -7.297 -2.659 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.337 -7.836 -2.624 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.777 -7.401 -4.227 1.00 0.00 H new ATOM 575 N ASN A 37 10.058 -5.121 -0.706 1.00 0.00 N ATOM 576 CA ASN A 37 9.940 -4.738 0.707 1.00 0.00 C ATOM 577 C ASN A 37 9.441 -5.902 1.602 1.00 0.00 C ATOM 578 O ASN A 37 9.927 -6.097 2.720 1.00 0.00 O ATOM 579 CB ASN A 37 9.063 -3.477 0.824 1.00 0.00 C ATOM 580 CG ASN A 37 7.705 -3.527 0.129 1.00 0.00 C ATOM 581 OD1 ASN A 37 7.244 -4.550 -0.366 1.00 0.00 O ATOM 582 ND2 ASN A 37 7.055 -2.390 0.041 1.00 0.00 N ATOM 0 H ASN A 37 9.500 -4.540 -1.331 1.00 0.00 H new ATOM 0 HA ASN A 37 10.934 -4.502 1.086 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.898 -3.273 1.882 1.00 0.00 H new ATOM 0 HB3 ASN A 37 9.622 -2.633 0.420 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.158 -2.352 -0.443 1.00 0.00 H new ATOM 0 HD22 ASN A 37 7.447 -1.545 0.456 1.00 0.00 H new ATOM 589 N GLY A 38 8.501 -6.693 1.079 1.00 0.00 N ATOM 590 CA GLY A 38 7.926 -7.850 1.782 1.00 0.00 C ATOM 591 C GLY A 38 7.023 -8.773 0.959 1.00 0.00 C ATOM 592 O GLY A 38 7.057 -9.988 1.169 1.00 0.00 O ATOM 0 H GLY A 38 8.112 -6.550 0.147 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.745 -8.446 2.185 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.352 -7.481 2.632 1.00 0.00 H new ATOM 596 N VAL A 39 6.238 -8.236 0.020 1.00 0.00 N ATOM 597 CA VAL A 39 5.286 -9.046 -0.772 1.00 0.00 C ATOM 598 C VAL A 39 5.983 -10.071 -1.687 1.00 0.00 C ATOM 599 O VAL A 39 5.603 -11.243 -1.687 1.00 0.00 O ATOM 600 CB VAL A 39 4.284 -8.156 -1.543 1.00 0.00 C ATOM 601 CG1 VAL A 39 4.917 -7.223 -2.584 1.00 0.00 C ATOM 602 CG2 VAL A 39 3.192 -8.982 -2.229 1.00 0.00 C ATOM 0 H VAL A 39 6.238 -7.244 -0.216 1.00 0.00 H new ATOM 0 HA VAL A 39 4.711 -9.634 -0.056 1.00 0.00 H new ATOM 0 HB VAL A 39 3.853 -7.527 -0.764 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.136 -6.640 -3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.618 -6.550 -2.091 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.447 -7.816 -3.330 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.511 -8.316 -2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.649 -9.672 -2.938 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.638 -9.547 -1.479 1.00 0.00 H new ATOM 612 N ASP A 40 7.029 -9.657 -2.425 1.00 0.00 N ATOM 613 CA ASP A 40 7.764 -10.452 -3.444 1.00 0.00 C ATOM 614 C ASP A 40 6.856 -11.386 -4.284 1.00 0.00 C ATOM 615 O ASP A 40 7.171 -12.551 -4.543 1.00 0.00 O ATOM 616 CB ASP A 40 8.939 -11.186 -2.760 1.00 0.00 C ATOM 617 CG ASP A 40 9.929 -11.866 -3.736 1.00 0.00 C ATOM 618 OD1 ASP A 40 10.295 -11.254 -4.769 1.00 0.00 O ATOM 619 OD2 ASP A 40 10.380 -13.001 -3.442 1.00 0.00 O ATOM 0 H ASP A 40 7.408 -8.715 -2.328 1.00 0.00 H new ATOM 0 HA ASP A 40 8.169 -9.764 -4.186 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.488 -10.472 -2.145 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.535 -11.942 -2.087 1.00 0.00 H new ATOM 624 N GLY A 41 5.685 -10.871 -4.666 1.00 0.00 N ATOM 625 CA GLY A 41 4.591 -11.636 -5.275 1.00 0.00 C ATOM 626 C GLY A 41 4.580 -11.713 -6.806 1.00 0.00 C ATOM 627 O GLY A 41 5.376 -11.071 -7.497 1.00 0.00 O ATOM 0 H GLY A 41 5.464 -9.881 -4.557 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.626 -12.652 -4.883 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.647 -11.200 -4.948 1.00 0.00 H new ATOM 631 N GLU A 42 3.641 -12.501 -7.340 1.00 0.00 N ATOM 632 CA GLU A 42 3.331 -12.597 -8.780 1.00 0.00 C ATOM 633 C GLU A 42 2.489 -11.403 -9.230 1.00 0.00 C ATOM 634 O GLU A 42 1.340 -11.245 -8.813 1.00 0.00 O ATOM 635 CB GLU A 42 2.588 -13.911 -9.080 1.00 0.00 C ATOM 636 CG GLU A 42 2.335 -14.112 -10.575 1.00 0.00 C ATOM 637 CD GLU A 42 1.749 -15.495 -10.824 1.00 0.00 C ATOM 638 OE1 GLU A 42 0.514 -15.652 -10.701 1.00 0.00 O ATOM 639 OE2 GLU A 42 2.526 -16.419 -11.153 1.00 0.00 O ATOM 0 H GLU A 42 3.055 -13.110 -6.769 1.00 0.00 H new ATOM 0 HA GLU A 42 4.270 -12.588 -9.334 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.170 -14.749 -8.697 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.636 -13.916 -8.550 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.651 -13.347 -10.942 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.267 -13.998 -11.128 1.00 0.00 H new ATOM 646 N TRP A 43 3.054 -10.575 -10.105 1.00 0.00 N ATOM 647 CA TRP A 43 2.367 -9.426 -10.708 1.00 0.00 C ATOM 648 C TRP A 43 1.459 -9.854 -11.877 1.00 0.00 C ATOM 649 O TRP A 43 1.804 -10.730 -12.677 1.00 0.00 O ATOM 650 CB TRP A 43 3.405 -8.393 -11.169 1.00 0.00 C ATOM 651 CG TRP A 43 4.060 -7.625 -10.059 1.00 0.00 C ATOM 652 CD1 TRP A 43 4.996 -8.103 -9.208 1.00 0.00 C ATOM 653 CD2 TRP A 43 3.814 -6.245 -9.638 1.00 0.00 C ATOM 654 NE1 TRP A 43 5.332 -7.135 -8.285 1.00 0.00 N ATOM 655 CE2 TRP A 43 4.624 -5.973 -8.494 1.00 0.00 C ATOM 656 CE3 TRP A 43 2.979 -5.201 -10.097 1.00 0.00 C ATOM 657 CZ2 TRP A 43 4.595 -4.738 -7.834 1.00 0.00 C ATOM 658 CZ3 TRP A 43 2.948 -3.955 -9.441 1.00 0.00 C ATOM 659 CH2 TRP A 43 3.745 -3.728 -8.307 1.00 0.00 C ATOM 0 H TRP A 43 4.017 -10.682 -10.423 1.00 0.00 H new ATOM 0 HA TRP A 43 1.722 -8.975 -9.954 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.177 -8.905 -11.743 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.921 -7.688 -11.844 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.418 -9.096 -9.246 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.018 -7.264 -7.541 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.355 -5.361 -10.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.220 -4.566 -6.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.307 -3.169 -9.812 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.703 -2.776 -7.799 1.00 0.00 H new ATOM 670 N THR A 44 0.288 -9.225 -11.971 1.00 0.00 N ATOM 671 CA THR A 44 -0.729 -9.411 -13.023 1.00 0.00 C ATOM 672 C THR A 44 -1.315 -8.046 -13.428 1.00 0.00 C ATOM 673 O THR A 44 -1.364 -7.136 -12.596 1.00 0.00 O ATOM 674 CB THR A 44 -1.869 -10.322 -12.514 1.00 0.00 C ATOM 675 OG1 THR A 44 -1.375 -11.466 -11.846 1.00 0.00 O ATOM 676 CG2 THR A 44 -2.795 -10.828 -13.624 1.00 0.00 C ATOM 0 H THR A 44 0.001 -8.532 -11.280 1.00 0.00 H new ATOM 0 HA THR A 44 -0.255 -9.879 -13.885 1.00 0.00 H new ATOM 0 HB THR A 44 -2.432 -9.681 -11.836 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.126 -12.015 -11.538 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.570 -11.461 -13.191 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.258 -9.979 -14.126 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.217 -11.405 -14.345 1.00 0.00 H new ATOM 684 N TYR A 45 -1.794 -7.883 -14.667 1.00 0.00 N ATOM 685 CA TYR A 45 -2.469 -6.661 -15.146 1.00 0.00 C ATOM 686 C TYR A 45 -3.627 -6.971 -16.115 1.00 0.00 C ATOM 687 O TYR A 45 -3.487 -7.789 -17.031 1.00 0.00 O ATOM 688 CB TYR A 45 -1.436 -5.756 -15.837 1.00 0.00 C ATOM 689 CG TYR A 45 -2.000 -4.485 -16.456 1.00 0.00 C ATOM 690 CD1 TYR A 45 -2.561 -3.489 -15.636 1.00 0.00 C ATOM 691 CD2 TYR A 45 -1.951 -4.283 -17.850 1.00 0.00 C ATOM 692 CE1 TYR A 45 -3.071 -2.304 -16.197 1.00 0.00 C ATOM 693 CE2 TYR A 45 -2.454 -3.093 -18.410 1.00 0.00 C ATOM 694 CZ TYR A 45 -3.016 -2.106 -17.584 1.00 0.00 C ATOM 695 OH TYR A 45 -3.517 -0.961 -18.125 1.00 0.00 O ATOM 0 H TYR A 45 -1.724 -8.608 -15.381 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.902 -6.156 -14.282 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.674 -5.479 -15.108 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.937 -6.331 -16.617 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.600 -3.635 -14.567 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.527 -5.043 -18.490 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.505 -1.547 -15.560 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.407 -2.939 -19.478 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.880 -1.151 -19.015 1.00 0.00 H new ATOM 705 N ASP A 46 -4.760 -6.287 -15.922 1.00 0.00 N ATOM 706 CA ASP A 46 -5.955 -6.291 -16.782 1.00 0.00 C ATOM 707 C ASP A 46 -6.219 -4.887 -17.336 1.00 0.00 C ATOM 708 O ASP A 46 -6.747 -4.017 -16.634 1.00 0.00 O ATOM 709 CB ASP A 46 -7.176 -6.806 -15.994 1.00 0.00 C ATOM 710 CG ASP A 46 -7.110 -8.311 -15.663 1.00 0.00 C ATOM 711 OD1 ASP A 46 -7.428 -9.136 -16.555 1.00 0.00 O ATOM 712 OD2 ASP A 46 -6.771 -8.670 -14.509 1.00 0.00 O ATOM 0 H ASP A 46 -4.877 -5.678 -15.112 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.780 -6.962 -17.623 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.262 -6.242 -15.065 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.079 -6.609 -16.571 1.00 0.00 H new ATOM 717 N ASP A 47 -5.850 -4.645 -18.599 1.00 0.00 N ATOM 718 CA ASP A 47 -5.999 -3.338 -19.264 1.00 0.00 C ATOM 719 C ASP A 47 -7.457 -2.902 -19.454 1.00 0.00 C ATOM 720 O ASP A 47 -7.780 -1.723 -19.325 1.00 0.00 O ATOM 721 CB ASP A 47 -5.286 -3.397 -20.627 1.00 0.00 C ATOM 722 CG ASP A 47 -5.126 -2.005 -21.257 1.00 0.00 C ATOM 723 OD1 ASP A 47 -4.383 -1.172 -20.684 1.00 0.00 O ATOM 724 OD2 ASP A 47 -5.763 -1.722 -22.297 1.00 0.00 O ATOM 0 H ASP A 47 -5.434 -5.358 -19.199 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.548 -2.590 -18.612 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.304 -3.853 -20.502 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.851 -4.038 -21.304 1.00 0.00 H new ATOM 729 N ALA A 48 -8.351 -3.864 -19.677 1.00 0.00 N ATOM 730 CA ALA A 48 -9.798 -3.650 -19.839 1.00 0.00 C ATOM 731 C ALA A 48 -10.471 -2.922 -18.647 1.00 0.00 C ATOM 732 O ALA A 48 -11.561 -2.361 -18.783 1.00 0.00 O ATOM 733 CB ALA A 48 -10.459 -5.009 -20.092 1.00 0.00 C ATOM 0 H ALA A 48 -8.086 -4.846 -19.753 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.938 -2.981 -20.688 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -11.534 -4.874 -20.215 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -10.043 -5.453 -20.996 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -10.271 -5.668 -19.245 1.00 0.00 H new ATOM 739 N THR A 49 -9.807 -2.924 -17.490 1.00 0.00 N ATOM 740 CA THR A 49 -10.186 -2.221 -16.254 1.00 0.00 C ATOM 741 C THR A 49 -9.041 -1.362 -15.665 1.00 0.00 C ATOM 742 O THR A 49 -9.113 -0.972 -14.497 1.00 0.00 O ATOM 743 CB THR A 49 -10.794 -3.220 -15.243 1.00 0.00 C ATOM 744 OG1 THR A 49 -11.326 -2.588 -14.097 1.00 0.00 O ATOM 745 CG2 THR A 49 -9.816 -4.313 -14.806 1.00 0.00 C ATOM 0 H THR A 49 -8.938 -3.446 -17.380 1.00 0.00 H new ATOM 0 HA THR A 49 -10.958 -1.493 -16.503 1.00 0.00 H new ATOM 0 HB THR A 49 -11.609 -3.691 -15.793 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.765 -1.821 -13.856 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.308 -4.979 -14.097 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.495 -4.884 -15.677 1.00 0.00 H new ATOM 0 HG23 THR A 49 -8.947 -3.856 -14.332 1.00 0.00 H new ATOM 753 N LYS A 50 -7.950 -1.116 -16.412 1.00 0.00 N ATOM 754 CA LYS A 50 -6.747 -0.376 -15.983 1.00 0.00 C ATOM 755 C LYS A 50 -6.263 -0.715 -14.554 1.00 0.00 C ATOM 756 O LYS A 50 -5.964 0.167 -13.743 1.00 0.00 O ATOM 757 CB LYS A 50 -6.961 1.135 -16.217 1.00 0.00 C ATOM 758 CG LYS A 50 -7.359 1.514 -17.656 1.00 0.00 C ATOM 759 CD LYS A 50 -6.310 1.105 -18.700 1.00 0.00 C ATOM 760 CE LYS A 50 -6.735 1.561 -20.100 1.00 0.00 C ATOM 761 NZ LYS A 50 -5.693 1.295 -21.112 1.00 0.00 N ATOM 0 H LYS A 50 -7.878 -1.442 -17.376 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.918 -0.710 -16.607 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.735 1.488 -15.536 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.043 1.662 -15.958 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.310 1.040 -17.900 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.517 2.591 -17.711 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.346 1.545 -18.446 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.180 0.023 -18.688 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.654 1.049 -20.384 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.957 2.628 -20.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.134 1.210 -22.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -5.009 2.079 -21.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.201 0.409 -20.879 1.00 0.00 H new ATOM 775 N THR A 51 -6.227 -2.011 -14.232 1.00 0.00 N ATOM 776 CA THR A 51 -5.950 -2.496 -12.862 1.00 0.00 C ATOM 777 C THR A 51 -4.879 -3.590 -12.827 1.00 0.00 C ATOM 778 O THR A 51 -4.850 -4.500 -13.657 1.00 0.00 O ATOM 779 CB THR A 51 -7.235 -2.975 -12.155 1.00 0.00 C ATOM 780 OG1 THR A 51 -8.192 -1.939 -12.085 1.00 0.00 O ATOM 781 CG2 THR A 51 -7.019 -3.437 -10.710 1.00 0.00 C ATOM 0 H THR A 51 -6.388 -2.759 -14.907 1.00 0.00 H new ATOM 0 HA THR A 51 -5.556 -1.639 -12.315 1.00 0.00 H new ATOM 0 HB THR A 51 -7.571 -3.817 -12.761 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.449 -1.669 -12.991 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.970 -3.758 -10.284 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.316 -4.270 -10.696 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.617 -2.613 -10.121 1.00 0.00 H new ATOM 789 N PHE A 52 -4.010 -3.494 -11.826 1.00 0.00 N ATOM 790 CA PHE A 52 -2.908 -4.384 -11.483 1.00 0.00 C ATOM 791 C PHE A 52 -3.281 -5.211 -10.239 1.00 0.00 C ATOM 792 O PHE A 52 -3.972 -4.728 -9.338 1.00 0.00 O ATOM 793 CB PHE A 52 -1.639 -3.568 -11.198 1.00 0.00 C ATOM 794 CG PHE A 52 -1.040 -2.861 -12.398 1.00 0.00 C ATOM 795 CD1 PHE A 52 -1.499 -1.583 -12.774 1.00 0.00 C ATOM 796 CD2 PHE A 52 -0.020 -3.483 -13.142 1.00 0.00 C ATOM 797 CE1 PHE A 52 -0.943 -0.930 -13.889 1.00 0.00 C ATOM 798 CE2 PHE A 52 0.527 -2.836 -14.265 1.00 0.00 C ATOM 799 CZ PHE A 52 0.062 -1.563 -14.639 1.00 0.00 C ATOM 0 H PHE A 52 -4.066 -2.714 -11.171 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.718 -5.053 -12.322 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.869 -2.823 -10.436 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.886 -4.234 -10.776 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.281 -1.103 -12.204 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.343 -4.458 -12.851 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.288 0.055 -14.168 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.304 -3.317 -14.840 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.479 -1.070 -15.505 1.00 0.00 H new ATOM 809 N THR A 53 -2.816 -6.452 -10.183 1.00 0.00 N ATOM 810 CA THR A 53 -2.997 -7.347 -9.029 1.00 0.00 C ATOM 811 C THR A 53 -1.647 -7.949 -8.621 1.00 0.00 C ATOM 812 O THR A 53 -0.807 -8.245 -9.476 1.00 0.00 O ATOM 813 CB THR A 53 -4.033 -8.449 -9.338 1.00 0.00 C ATOM 814 OG1 THR A 53 -5.252 -7.888 -9.780 1.00 0.00 O ATOM 815 CG2 THR A 53 -4.371 -9.322 -8.128 1.00 0.00 C ATOM 0 H THR A 53 -2.293 -6.880 -10.947 1.00 0.00 H new ATOM 0 HA THR A 53 -3.384 -6.766 -8.192 1.00 0.00 H new ATOM 0 HB THR A 53 -3.565 -9.062 -10.108 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.892 -8.605 -9.971 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.105 -10.075 -8.416 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.467 -9.814 -7.771 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.783 -8.699 -7.334 1.00 0.00 H new ATOM 823 N VAL A 54 -1.432 -8.109 -7.315 1.00 0.00 N ATOM 824 CA VAL A 54 -0.231 -8.722 -6.713 1.00 0.00 C ATOM 825 C VAL A 54 -0.643 -9.738 -5.640 1.00 0.00 C ATOM 826 O VAL A 54 -1.486 -9.449 -4.790 1.00 0.00 O ATOM 827 CB VAL A 54 0.749 -7.672 -6.144 1.00 0.00 C ATOM 828 CG1 VAL A 54 2.081 -8.331 -5.757 1.00 0.00 C ATOM 829 CG2 VAL A 54 1.081 -6.581 -7.170 1.00 0.00 C ATOM 0 H VAL A 54 -2.110 -7.807 -6.615 1.00 0.00 H new ATOM 0 HA VAL A 54 0.307 -9.242 -7.506 1.00 0.00 H new ATOM 0 HB VAL A 54 0.253 -7.233 -5.278 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.758 -7.576 -5.358 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.903 -9.095 -5.000 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.529 -8.791 -6.638 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.773 -5.864 -6.728 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.541 -7.035 -8.048 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.166 -6.068 -7.464 1.00 0.00 H new ATOM 839 N THR A 55 -0.059 -10.931 -5.722 1.00 0.00 N ATOM 840 CA THR A 55 -0.363 -12.079 -4.842 1.00 0.00 C ATOM 841 C THR A 55 0.909 -12.778 -4.339 1.00 0.00 C ATOM 842 O THR A 55 1.857 -12.942 -5.113 1.00 0.00 O ATOM 843 CB THR A 55 -1.337 -13.051 -5.540 1.00 0.00 C ATOM 844 OG1 THR A 55 -2.528 -12.388 -5.906 1.00 0.00 O ATOM 845 CG2 THR A 55 -1.759 -14.237 -4.670 1.00 0.00 C ATOM 0 H THR A 55 0.658 -11.141 -6.416 1.00 0.00 H new ATOM 0 HA THR A 55 -0.861 -11.697 -3.951 1.00 0.00 H new ATOM 0 HB THR A 55 -0.783 -13.419 -6.404 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.132 -13.021 -6.348 1.00 0.00 H new ATOM 0 HG21 THR A 55 -2.443 -14.874 -5.230 1.00 0.00 H new ATOM 0 HG22 THR A 55 -0.878 -14.812 -4.387 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.257 -13.871 -3.772 1.00 0.00 H new ATOM 853 N GLU A 56 0.947 -13.194 -3.062 1.00 0.00 N ATOM 854 CA GLU A 56 2.074 -13.934 -2.444 1.00 0.00 C ATOM 855 C GLU A 56 2.078 -15.410 -2.851 1.00 0.00 C ATOM 856 O GLU A 56 1.042 -16.086 -2.669 1.00 0.00 O ATOM 857 CB GLU A 56 2.043 -13.844 -0.910 1.00 0.00 C ATOM 858 CG GLU A 56 2.405 -12.447 -0.395 1.00 0.00 C ATOM 859 CD GLU A 56 2.430 -12.352 1.128 1.00 0.00 C ATOM 860 OE1 GLU A 56 2.229 -13.375 1.818 1.00 0.00 O ATOM 861 OE2 GLU A 56 2.592 -11.228 1.646 1.00 0.00 O ATOM 862 OXT GLU A 56 3.129 -15.882 -3.333 1.00 0.00 O ATOM 0 H GLU A 56 0.180 -13.024 -2.411 1.00 0.00 H new ATOM 0 HA GLU A 56 2.983 -13.459 -2.813 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.048 -14.112 -0.554 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.738 -14.573 -0.493 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.383 -12.166 -0.786 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.686 -11.726 -0.785 1.00 0.00 H new ATOM 870 N MET B 1 -4.127 -8.981 17.137 1.00 0.00 N ATOM 871 CA MET B 1 -5.261 -8.099 16.754 1.00 0.00 C ATOM 872 C MET B 1 -5.056 -7.555 15.342 1.00 0.00 C ATOM 873 O MET B 1 -3.921 -7.364 14.910 1.00 0.00 O ATOM 874 CB MET B 1 -5.459 -6.974 17.794 1.00 0.00 C ATOM 875 CG MET B 1 -6.646 -6.042 17.509 1.00 0.00 C ATOM 876 SD MET B 1 -8.246 -6.864 17.249 1.00 0.00 S ATOM 877 CE MET B 1 -9.248 -5.417 16.815 1.00 0.00 C ATOM 0 H1 MET B 1 -4.151 -9.152 18.163 1.00 0.00 H new ATOM 0 H2 MET B 1 -4.206 -9.887 16.633 1.00 0.00 H new ATOM 0 H3 MET B 1 -3.229 -8.521 16.884 1.00 0.00 H new ATOM 0 HA MET B 1 -6.179 -8.686 16.747 1.00 0.00 H new ATOM 0 HB2 MET B 1 -5.596 -7.425 18.777 1.00 0.00 H new ATOM 0 HB3 MET B 1 -4.548 -6.377 17.842 1.00 0.00 H new ATOM 0 HG2 MET B 1 -6.747 -5.346 18.342 1.00 0.00 H new ATOM 0 HG3 MET B 1 -6.415 -5.449 16.624 1.00 0.00 H new ATOM 0 HE1 MET B 1 -10.273 -5.730 16.619 1.00 0.00 H new ATOM 0 HE2 MET B 1 -9.237 -4.706 17.641 1.00 0.00 H new ATOM 0 HE3 MET B 1 -8.836 -4.944 15.924 1.00 0.00 H new ATOM 889 N GLN B 2 -6.146 -7.314 14.608 1.00 0.00 N ATOM 890 CA GLN B 2 -6.118 -6.650 13.294 1.00 0.00 C ATOM 891 C GLN B 2 -5.834 -5.139 13.434 1.00 0.00 C ATOM 892 O GLN B 2 -6.476 -4.453 14.232 1.00 0.00 O ATOM 893 CB GLN B 2 -7.467 -6.854 12.574 1.00 0.00 C ATOM 894 CG GLN B 2 -7.384 -6.613 11.058 1.00 0.00 C ATOM 895 CD GLN B 2 -7.126 -7.896 10.297 1.00 0.00 C ATOM 896 OE1 GLN B 2 -8.044 -8.616 9.929 1.00 0.00 O ATOM 897 NE2 GLN B 2 -5.880 -8.216 10.035 1.00 0.00 N ATOM 0 H GLN B 2 -7.085 -7.576 14.909 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.315 -7.098 12.709 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -7.819 -7.869 12.756 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -8.207 -6.179 13.003 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -8.315 -6.165 10.710 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -6.588 -5.899 10.847 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -5.121 -7.609 10.346 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -5.671 -9.071 9.520 1.00 0.00 H new ATOM 906 N TYR B 3 -4.910 -4.620 12.627 1.00 0.00 N ATOM 907 CA TYR B 3 -4.600 -3.189 12.479 1.00 0.00 C ATOM 908 C TYR B 3 -4.711 -2.741 11.012 1.00 0.00 C ATOM 909 O TYR B 3 -4.534 -3.551 10.098 1.00 0.00 O ATOM 910 CB TYR B 3 -3.195 -2.897 13.023 1.00 0.00 C ATOM 911 CG TYR B 3 -3.016 -3.139 14.513 1.00 0.00 C ATOM 912 CD1 TYR B 3 -2.706 -4.428 14.986 1.00 0.00 C ATOM 913 CD2 TYR B 3 -3.127 -2.073 15.426 1.00 0.00 C ATOM 914 CE1 TYR B 3 -2.544 -4.660 16.365 1.00 0.00 C ATOM 915 CE2 TYR B 3 -2.944 -2.304 16.802 1.00 0.00 C ATOM 916 CZ TYR B 3 -2.678 -3.599 17.272 1.00 0.00 C ATOM 917 OH TYR B 3 -2.568 -3.823 18.611 1.00 0.00 O ATOM 0 H TYR B 3 -4.328 -5.207 12.030 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.331 -2.622 13.055 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -2.478 -3.514 12.482 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -2.948 -1.857 12.807 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -2.592 -5.243 14.287 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -3.352 -1.078 15.070 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -2.317 -5.653 16.724 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -3.009 -1.481 17.499 1.00 0.00 H new ATOM 0 HH TYR B 3 -2.459 -2.968 19.078 1.00 0.00 H new ATOM 927 N LYS B 4 -4.951 -1.449 10.771 1.00 0.00 N ATOM 928 CA LYS B 4 -5.192 -0.879 9.435 1.00 0.00 C ATOM 929 C LYS B 4 -4.394 0.426 9.209 1.00 0.00 C ATOM 930 O LYS B 4 -4.148 1.180 10.150 1.00 0.00 O ATOM 931 CB LYS B 4 -6.712 -0.659 9.283 1.00 0.00 C ATOM 932 CG LYS B 4 -7.137 -0.244 7.865 1.00 0.00 C ATOM 933 CD LYS B 4 -8.645 0.011 7.744 1.00 0.00 C ATOM 934 CE LYS B 4 -8.939 0.438 6.301 1.00 0.00 C ATOM 935 NZ LYS B 4 -10.366 0.736 6.071 1.00 0.00 N ATOM 0 H LYS B 4 -4.985 -0.751 11.514 1.00 0.00 H new ATOM 0 HA LYS B 4 -4.840 -1.571 8.670 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -7.232 -1.578 9.555 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -7.031 0.109 9.988 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -6.597 0.659 7.579 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -6.848 -1.025 7.161 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -9.205 -0.889 7.997 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -8.957 0.787 8.442 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -8.345 1.320 6.060 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -8.624 -0.354 5.621 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -10.515 0.970 5.069 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -10.939 -0.095 6.322 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -10.651 1.544 6.661 1.00 0.00 H new ATOM 949 N LEU B 5 -4.034 0.715 7.957 1.00 0.00 N ATOM 950 CA LEU B 5 -3.271 1.883 7.500 1.00 0.00 C ATOM 951 C LEU B 5 -4.017 2.574 6.345 1.00 0.00 C ATOM 952 O LEU B 5 -4.351 1.930 5.352 1.00 0.00 O ATOM 953 CB LEU B 5 -1.880 1.382 7.053 1.00 0.00 C ATOM 954 CG LEU B 5 -0.737 2.394 6.856 1.00 0.00 C ATOM 955 CD1 LEU B 5 -0.938 3.352 5.683 1.00 0.00 C ATOM 956 CD2 LEU B 5 -0.454 3.211 8.112 1.00 0.00 C ATOM 0 H LEU B 5 -4.283 0.100 7.182 1.00 0.00 H new ATOM 0 HA LEU B 5 -3.157 2.617 8.297 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.545 0.650 7.788 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.012 0.850 6.111 1.00 0.00 H new ATOM 0 HG LEU B 5 0.122 1.763 6.627 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -0.087 4.030 5.617 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -1.021 2.782 4.758 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -1.850 3.929 5.836 1.00 0.00 H new ATOM 0 HD21 LEU B 5 0.361 3.908 7.917 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -1.348 3.767 8.393 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.172 2.542 8.925 1.00 0.00 H new ATOM 968 N ILE B 6 -4.267 3.877 6.460 1.00 0.00 N ATOM 969 CA ILE B 6 -4.883 4.727 5.424 1.00 0.00 C ATOM 970 C ILE B 6 -3.803 5.647 4.840 1.00 0.00 C ATOM 971 O ILE B 6 -3.178 6.409 5.584 1.00 0.00 O ATOM 972 CB ILE B 6 -6.040 5.561 6.031 1.00 0.00 C ATOM 973 CG1 ILE B 6 -7.052 4.650 6.766 1.00 0.00 C ATOM 974 CG2 ILE B 6 -6.713 6.417 4.938 1.00 0.00 C ATOM 975 CD1 ILE B 6 -8.245 5.385 7.390 1.00 0.00 C ATOM 0 H ILE B 6 -4.040 4.397 7.308 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.299 4.104 4.632 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.630 6.243 6.776 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -7.429 3.907 6.062 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -6.527 4.107 7.552 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -7.524 6.998 5.378 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -5.978 7.093 4.501 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -7.113 5.766 4.161 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -8.899 4.665 7.882 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -7.885 6.108 8.122 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -8.801 5.905 6.610 1.00 0.00 H new ATOM 987 N LEU B 7 -3.556 5.609 3.530 1.00 0.00 N ATOM 988 CA LEU B 7 -2.521 6.357 2.819 1.00 0.00 C ATOM 989 C LEU B 7 -3.162 7.513 2.024 1.00 0.00 C ATOM 990 O LEU B 7 -4.003 7.279 1.150 1.00 0.00 O ATOM 991 CB LEU B 7 -1.804 5.365 1.879 1.00 0.00 C ATOM 992 CG LEU B 7 -0.720 6.002 0.990 1.00 0.00 C ATOM 993 CD1 LEU B 7 0.466 6.520 1.801 1.00 0.00 C ATOM 994 CD2 LEU B 7 -0.205 4.976 -0.013 1.00 0.00 C ATOM 0 H LEU B 7 -4.105 5.022 2.902 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.805 6.797 3.513 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -1.348 4.579 2.480 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -2.547 4.887 1.240 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.184 6.847 0.481 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.202 6.960 1.128 1.00 0.00 H new ATOM 0 HD12 LEU B 7 0.122 7.276 2.506 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.921 5.694 2.348 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.562 5.432 -0.639 1.00 0.00 H new ATOM 0 HD22 LEU B 7 0.221 4.127 0.521 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -1.029 4.634 -0.639 1.00 0.00 H new ATOM 1006 N ASN B 8 -2.771 8.747 2.334 1.00 0.00 N ATOM 1007 CA ASN B 8 -3.201 9.948 1.617 1.00 0.00 C ATOM 1008 C ASN B 8 -1.973 10.643 0.997 1.00 0.00 C ATOM 1009 O ASN B 8 -0.952 10.850 1.658 1.00 0.00 O ATOM 1010 CB ASN B 8 -3.946 10.914 2.551 1.00 0.00 C ATOM 1011 CG ASN B 8 -4.945 10.265 3.489 1.00 0.00 C ATOM 1012 OD1 ASN B 8 -6.143 10.204 3.234 1.00 0.00 O ATOM 1013 ND2 ASN B 8 -4.461 9.810 4.622 1.00 0.00 N ATOM 0 H ASN B 8 -2.134 8.945 3.106 1.00 0.00 H new ATOM 0 HA ASN B 8 -3.890 9.653 0.826 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -3.212 11.456 3.147 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -4.470 11.651 1.942 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -5.086 9.394 5.313 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -3.461 9.872 4.811 1.00 0.00 H new ATOM 1020 N GLY B 9 -2.074 11.021 -0.271 1.00 0.00 N ATOM 1021 CA GLY B 9 -0.977 11.663 -1.001 1.00 0.00 C ATOM 1022 C GLY B 9 -1.262 11.970 -2.469 1.00 0.00 C ATOM 1023 O GLY B 9 -2.331 11.663 -3.001 1.00 0.00 O ATOM 0 H GLY B 9 -2.919 10.893 -0.828 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.722 12.594 -0.495 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.099 11.019 -0.945 1.00 0.00 H new ATOM 1027 N LYS B 10 -0.284 12.590 -3.121 1.00 0.00 N ATOM 1028 CA LYS B 10 -0.281 12.956 -4.539 1.00 0.00 C ATOM 1029 C LYS B 10 0.506 11.927 -5.383 1.00 0.00 C ATOM 1030 O LYS B 10 0.214 11.731 -6.565 1.00 0.00 O ATOM 1031 CB LYS B 10 0.337 14.360 -4.676 1.00 0.00 C ATOM 1032 CG LYS B 10 -0.374 15.425 -3.811 1.00 0.00 C ATOM 1033 CD LYS B 10 0.264 16.822 -3.921 1.00 0.00 C ATOM 1034 CE LYS B 10 1.296 17.142 -2.826 1.00 0.00 C ATOM 1035 NZ LYS B 10 2.501 16.291 -2.879 1.00 0.00 N ATOM 0 H LYS B 10 0.577 12.868 -2.651 1.00 0.00 H new ATOM 0 HA LYS B 10 -1.304 12.960 -4.915 1.00 0.00 H new ATOM 0 HB2 LYS B 10 1.389 14.316 -4.394 1.00 0.00 H new ATOM 0 HB3 LYS B 10 0.299 14.666 -5.721 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -1.421 15.486 -4.110 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -0.358 15.107 -2.769 1.00 0.00 H new ATOM 0 HD2 LYS B 10 0.747 16.911 -4.894 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -0.526 17.572 -3.887 1.00 0.00 H new ATOM 0 HE2 LYS B 10 1.595 18.186 -2.915 1.00 0.00 H new ATOM 0 HE3 LYS B 10 0.824 17.028 -1.850 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 3.272 16.747 -2.350 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 2.291 15.365 -2.455 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 2.791 16.161 -3.869 1.00 0.00 H new ATOM 1049 N THR B 11 1.468 11.229 -4.770 1.00 0.00 N ATOM 1050 CA THR B 11 2.231 10.119 -5.383 1.00 0.00 C ATOM 1051 C THR B 11 1.399 8.825 -5.466 1.00 0.00 C ATOM 1052 O THR B 11 1.401 8.113 -6.475 1.00 0.00 O ATOM 1053 CB THR B 11 3.485 9.794 -4.533 1.00 0.00 C ATOM 1054 OG1 THR B 11 4.130 10.956 -4.050 1.00 0.00 O ATOM 1055 CG2 THR B 11 4.520 8.970 -5.300 1.00 0.00 C ATOM 0 H THR B 11 1.750 11.420 -3.809 1.00 0.00 H new ATOM 0 HA THR B 11 2.503 10.449 -6.386 1.00 0.00 H new ATOM 0 HB THR B 11 3.102 9.211 -3.695 1.00 0.00 H new ATOM 0 HG1 THR B 11 3.659 11.285 -3.256 1.00 0.00 H new ATOM 0 HG21 THR B 11 5.377 8.772 -4.656 1.00 0.00 H new ATOM 0 HG22 THR B 11 4.074 8.025 -5.612 1.00 0.00 H new ATOM 0 HG23 THR B 11 4.848 9.525 -6.179 1.00 0.00 H new ATOM 1063 N LEU B 12 0.686 8.530 -4.375 1.00 0.00 N ATOM 1064 CA LEU B 12 -0.182 7.360 -4.204 1.00 0.00 C ATOM 1065 C LEU B 12 -1.338 7.632 -3.216 1.00 0.00 C ATOM 1066 O LEU B 12 -1.181 8.419 -2.279 1.00 0.00 O ATOM 1067 CB LEU B 12 0.719 6.185 -3.754 1.00 0.00 C ATOM 1068 CG LEU B 12 0.089 4.782 -3.846 1.00 0.00 C ATOM 1069 CD1 LEU B 12 -0.287 4.423 -5.280 1.00 0.00 C ATOM 1070 CD2 LEU B 12 1.082 3.725 -3.371 1.00 0.00 C ATOM 0 H LEU B 12 0.698 9.128 -3.549 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.674 7.112 -5.145 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.626 6.195 -4.359 1.00 0.00 H new ATOM 0 HB3 LEU B 12 1.022 6.359 -2.722 1.00 0.00 H new ATOM 0 HG LEU B 12 -0.804 4.801 -3.221 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -0.728 3.426 -5.302 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -1.008 5.147 -5.659 1.00 0.00 H new ATOM 0 HD13 LEU B 12 0.606 4.439 -5.905 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.624 2.738 -3.441 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.974 3.757 -3.997 1.00 0.00 H new ATOM 0 HD23 LEU B 12 1.358 3.924 -2.335 1.00 0.00 H new ATOM 1082 N LYS B 13 -2.466 6.941 -3.380 1.00 0.00 N ATOM 1083 CA LYS B 13 -3.584 6.912 -2.420 1.00 0.00 C ATOM 1084 C LYS B 13 -3.996 5.451 -2.154 1.00 0.00 C ATOM 1085 O LYS B 13 -3.896 4.624 -3.059 1.00 0.00 O ATOM 1086 CB LYS B 13 -4.790 7.683 -2.988 1.00 0.00 C ATOM 1087 CG LYS B 13 -4.497 9.142 -3.378 1.00 0.00 C ATOM 1088 CD LYS B 13 -5.776 9.812 -3.910 1.00 0.00 C ATOM 1089 CE LYS B 13 -5.529 11.175 -4.571 1.00 0.00 C ATOM 1090 NZ LYS B 13 -5.058 12.200 -3.619 1.00 0.00 N ATOM 0 H LYS B 13 -2.638 6.368 -4.206 1.00 0.00 H new ATOM 0 HA LYS B 13 -3.264 7.381 -1.490 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -5.161 7.154 -3.866 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -5.591 7.673 -2.249 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -4.122 9.690 -2.513 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -3.717 9.174 -4.138 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -6.250 9.148 -4.633 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -6.478 9.939 -3.086 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -4.792 11.059 -5.366 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -6.452 11.518 -5.039 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.150 13.142 -4.050 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -5.631 12.158 -2.752 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -4.061 12.023 -3.384 1.00 0.00 H new ATOM 1104 N GLY B 14 -4.473 5.099 -0.958 1.00 0.00 N ATOM 1105 CA GLY B 14 -4.887 3.712 -0.675 1.00 0.00 C ATOM 1106 C GLY B 14 -5.212 3.373 0.783 1.00 0.00 C ATOM 1107 O GLY B 14 -5.227 4.242 1.656 1.00 0.00 O ATOM 0 H GLY B 14 -4.584 5.743 -0.174 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -5.766 3.490 -1.280 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -4.093 3.045 -1.010 1.00 0.00 H new ATOM 1111 N GLU B 15 -5.446 2.082 1.039 1.00 0.00 N ATOM 1112 CA GLU B 15 -5.647 1.476 2.374 1.00 0.00 C ATOM 1113 C GLU B 15 -5.088 0.053 2.440 1.00 0.00 C ATOM 1114 O GLU B 15 -5.246 -0.722 1.495 1.00 0.00 O ATOM 1115 CB GLU B 15 -7.133 1.379 2.764 1.00 0.00 C ATOM 1116 CG GLU B 15 -7.852 2.725 2.876 1.00 0.00 C ATOM 1117 CD GLU B 15 -9.218 2.574 3.540 1.00 0.00 C ATOM 1118 OE1 GLU B 15 -9.906 1.551 3.322 1.00 0.00 O ATOM 1119 OE2 GLU B 15 -9.605 3.478 4.310 1.00 0.00 O ATOM 0 H GLU B 15 -5.505 1.392 0.290 1.00 0.00 H new ATOM 0 HA GLU B 15 -5.120 2.138 3.061 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -7.650 0.767 2.025 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -7.211 0.860 3.719 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -7.240 3.419 3.453 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -7.974 3.157 1.883 1.00 0.00 H new ATOM 1126 N THR B 16 -4.480 -0.308 3.567 1.00 0.00 N ATOM 1127 CA THR B 16 -3.913 -1.647 3.824 1.00 0.00 C ATOM 1128 C THR B 16 -4.216 -2.160 5.242 1.00 0.00 C ATOM 1129 O THR B 16 -4.560 -1.382 6.134 1.00 0.00 O ATOM 1130 CB THR B 16 -2.389 -1.709 3.573 1.00 0.00 C ATOM 1131 OG1 THR B 16 -1.652 -1.141 4.626 1.00 0.00 O ATOM 1132 CG2 THR B 16 -1.922 -0.990 2.309 1.00 0.00 C ATOM 0 H THR B 16 -4.360 0.332 4.352 1.00 0.00 H new ATOM 0 HA THR B 16 -4.409 -2.300 3.106 1.00 0.00 H new ATOM 0 HB THR B 16 -2.207 -2.779 3.475 1.00 0.00 H new ATOM 0 HG1 THR B 16 -0.695 -1.203 4.426 1.00 0.00 H new ATOM 0 HG21 THR B 16 -0.840 -1.086 2.214 1.00 0.00 H new ATOM 0 HG22 THR B 16 -2.403 -1.435 1.438 1.00 0.00 H new ATOM 0 HG23 THR B 16 -2.189 0.065 2.371 1.00 0.00 H new ATOM 1140 N THR B 17 -4.113 -3.472 5.465 1.00 0.00 N ATOM 1141 CA THR B 17 -4.493 -4.156 6.717 1.00 0.00 C ATOM 1142 C THR B 17 -3.536 -5.320 7.035 1.00 0.00 C ATOM 1143 O THR B 17 -3.104 -6.048 6.134 1.00 0.00 O ATOM 1144 CB THR B 17 -5.941 -4.708 6.649 1.00 0.00 C ATOM 1145 OG1 THR B 17 -6.825 -3.858 5.944 1.00 0.00 O ATOM 1146 CG2 THR B 17 -6.563 -4.920 8.026 1.00 0.00 C ATOM 0 H THR B 17 -3.752 -4.114 4.760 1.00 0.00 H new ATOM 0 HA THR B 17 -4.430 -3.408 7.507 1.00 0.00 H new ATOM 0 HB THR B 17 -5.826 -5.659 6.128 1.00 0.00 H new ATOM 0 HG1 THR B 17 -7.721 -4.256 5.931 1.00 0.00 H new ATOM 0 HG21 THR B 17 -7.576 -5.307 7.912 1.00 0.00 H new ATOM 0 HG22 THR B 17 -5.963 -5.634 8.590 1.00 0.00 H new ATOM 0 HG23 THR B 17 -6.596 -3.971 8.561 1.00 0.00 H new ATOM 1154 N THR B 18 -3.212 -5.492 8.320 1.00 0.00 N ATOM 1155 CA THR B 18 -2.268 -6.486 8.877 1.00 0.00 C ATOM 1156 C THR B 18 -2.763 -7.038 10.228 1.00 0.00 C ATOM 1157 O THR B 18 -3.694 -6.489 10.823 1.00 0.00 O ATOM 1158 CB THR B 18 -0.850 -5.889 9.034 1.00 0.00 C ATOM 1159 OG1 THR B 18 0.110 -6.907 9.206 1.00 0.00 O ATOM 1160 CG2 THR B 18 -0.708 -4.920 10.213 1.00 0.00 C ATOM 0 H THR B 18 -3.623 -4.909 9.050 1.00 0.00 H new ATOM 0 HA THR B 18 -2.218 -7.312 8.167 1.00 0.00 H new ATOM 0 HB THR B 18 -0.683 -5.333 8.111 1.00 0.00 H new ATOM 0 HG1 THR B 18 0.381 -7.253 8.330 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.315 -4.545 10.255 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.396 -4.084 10.082 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.942 -5.440 11.142 1.00 0.00 H new ATOM 1168 N GLU B 19 -2.179 -8.133 10.726 1.00 0.00 N ATOM 1169 CA GLU B 19 -2.463 -8.724 12.054 1.00 0.00 C ATOM 1170 C GLU B 19 -1.170 -8.899 12.847 1.00 0.00 C ATOM 1171 O GLU B 19 -0.298 -9.688 12.478 1.00 0.00 O ATOM 1172 CB GLU B 19 -3.214 -10.061 11.930 1.00 0.00 C ATOM 1173 CG GLU B 19 -3.600 -10.640 13.292 1.00 0.00 C ATOM 1174 CD GLU B 19 -4.365 -11.943 13.110 1.00 0.00 C ATOM 1175 OE1 GLU B 19 -3.713 -12.996 12.930 1.00 0.00 O ATOM 1176 OE2 GLU B 19 -5.613 -11.913 13.175 1.00 0.00 O ATOM 0 H GLU B 19 -1.473 -8.654 10.206 1.00 0.00 H new ATOM 0 HA GLU B 19 -3.112 -8.035 12.594 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -4.113 -9.916 11.332 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -2.589 -10.778 11.397 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -2.704 -10.816 13.888 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -4.212 -9.924 13.840 1.00 0.00 H new ATOM 1183 N ALA B 20 -1.053 -8.135 13.929 1.00 0.00 N ATOM 1184 CA ALA B 20 0.150 -7.967 14.723 1.00 0.00 C ATOM 1185 C ALA B 20 -0.114 -8.228 16.211 1.00 0.00 C ATOM 1186 O ALA B 20 -1.257 -8.226 16.687 1.00 0.00 O ATOM 1187 CB ALA B 20 0.648 -6.538 14.497 1.00 0.00 C ATOM 0 H ALA B 20 -1.837 -7.591 14.290 1.00 0.00 H new ATOM 0 HA ALA B 20 0.905 -8.691 14.415 1.00 0.00 H new ATOM 0 HB1 ALA B 20 1.554 -6.372 15.079 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.865 -6.391 13.439 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -0.120 -5.831 14.812 1.00 0.00 H new ATOM 1193 N VAL B 21 0.969 -8.435 16.955 1.00 0.00 N ATOM 1194 CA VAL B 21 0.915 -8.606 18.416 1.00 0.00 C ATOM 1195 C VAL B 21 0.510 -7.305 19.115 1.00 0.00 C ATOM 1196 O VAL B 21 -0.316 -7.348 20.032 1.00 0.00 O ATOM 1197 CB VAL B 21 2.235 -9.177 18.965 1.00 0.00 C ATOM 1198 CG1 VAL B 21 3.437 -8.352 18.503 1.00 0.00 C ATOM 1199 CG2 VAL B 21 2.249 -9.307 20.492 1.00 0.00 C ATOM 0 H VAL B 21 1.911 -8.490 16.569 1.00 0.00 H new ATOM 0 HA VAL B 21 0.139 -9.339 18.637 1.00 0.00 H new ATOM 0 HB VAL B 21 2.311 -10.183 18.553 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.352 -8.783 18.909 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.485 -8.358 17.414 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.332 -7.326 18.856 1.00 0.00 H new ATOM 0 HG21 VAL B 21 3.207 -9.715 20.814 1.00 0.00 H new ATOM 0 HG22 VAL B 21 2.103 -8.325 20.942 1.00 0.00 H new ATOM 0 HG23 VAL B 21 1.446 -9.973 20.808 1.00 0.00 H new ATOM 1209 N ASP B 22 0.986 -6.131 18.668 1.00 0.00 N ATOM 1210 CA ASP B 22 0.685 -4.815 19.242 1.00 0.00 C ATOM 1211 C ASP B 22 0.860 -3.726 18.167 1.00 0.00 C ATOM 1212 O ASP B 22 1.458 -3.941 17.110 1.00 0.00 O ATOM 1213 CB ASP B 22 1.697 -4.552 20.379 1.00 0.00 C ATOM 1214 CG ASP B 22 1.555 -3.211 21.127 1.00 0.00 C ATOM 1215 OD1 ASP B 22 0.643 -3.083 21.978 1.00 0.00 O ATOM 1216 OD2 ASP B 22 2.358 -2.290 20.843 1.00 0.00 O ATOM 0 H ASP B 22 1.614 -6.074 17.867 1.00 0.00 H new ATOM 0 HA ASP B 22 -0.340 -4.794 19.614 1.00 0.00 H new ATOM 0 HB2 ASP B 22 1.611 -5.359 21.106 1.00 0.00 H new ATOM 0 HB3 ASP B 22 2.702 -4.605 19.961 1.00 0.00 H new ATOM 1221 N ALA B 23 0.372 -2.552 18.522 1.00 0.00 N ATOM 1222 CA ALA B 23 0.428 -1.308 17.752 1.00 0.00 C ATOM 1223 C ALA B 23 1.851 -0.961 17.265 1.00 0.00 C ATOM 1224 O ALA B 23 2.005 -0.398 16.185 1.00 0.00 O ATOM 1225 CB ALA B 23 -0.169 -0.174 18.595 1.00 0.00 C ATOM 0 H ALA B 23 -0.107 -2.426 19.414 1.00 0.00 H new ATOM 0 HA ALA B 23 -0.162 -1.444 16.846 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -0.132 0.758 18.030 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -1.205 -0.409 18.840 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.405 -0.064 19.515 1.00 0.00 H new ATOM 1231 N ALA B 24 2.895 -1.355 18.000 1.00 0.00 N ATOM 1232 CA ALA B 24 4.287 -1.154 17.637 1.00 0.00 C ATOM 1233 C ALA B 24 4.768 -2.150 16.566 1.00 0.00 C ATOM 1234 O ALA B 24 5.568 -1.781 15.711 1.00 0.00 O ATOM 1235 CB ALA B 24 5.158 -1.242 18.894 1.00 0.00 C ATOM 0 H ALA B 24 2.783 -1.838 18.892 1.00 0.00 H new ATOM 0 HA ALA B 24 4.378 -0.162 17.196 1.00 0.00 H new ATOM 0 HB1 ALA B 24 6.203 -1.091 18.624 1.00 0.00 H new ATOM 0 HB2 ALA B 24 4.852 -0.473 19.603 1.00 0.00 H new ATOM 0 HB3 ALA B 24 5.039 -2.225 19.351 1.00 0.00 H new ATOM 1241 N THR B 25 4.270 -3.393 16.544 1.00 0.00 N ATOM 1242 CA THR B 25 4.543 -4.366 15.471 1.00 0.00 C ATOM 1243 C THR B 25 3.732 -4.058 14.206 1.00 0.00 C ATOM 1244 O THR B 25 4.288 -4.092 13.111 1.00 0.00 O ATOM 1245 CB THR B 25 4.282 -5.797 15.957 1.00 0.00 C ATOM 1246 OG1 THR B 25 5.098 -6.051 17.078 1.00 0.00 O ATOM 1247 CG2 THR B 25 4.593 -6.871 14.911 1.00 0.00 C ATOM 0 H THR B 25 3.660 -3.758 17.276 1.00 0.00 H new ATOM 0 HA THR B 25 5.597 -4.280 15.208 1.00 0.00 H new ATOM 0 HB THR B 25 3.218 -5.854 16.186 1.00 0.00 H new ATOM 0 HG1 THR B 25 5.319 -7.005 17.112 1.00 0.00 H new ATOM 0 HG21 THR B 25 4.384 -7.856 15.328 1.00 0.00 H new ATOM 0 HG22 THR B 25 3.972 -6.711 14.029 1.00 0.00 H new ATOM 0 HG23 THR B 25 5.645 -6.812 14.630 1.00 0.00 H new ATOM 1255 N ALA B 26 2.459 -3.657 14.314 1.00 0.00 N ATOM 1256 CA ALA B 26 1.709 -3.142 13.155 1.00 0.00 C ATOM 1257 C ALA B 26 2.374 -1.893 12.537 1.00 0.00 C ATOM 1258 O ALA B 26 2.514 -1.804 11.317 1.00 0.00 O ATOM 1259 CB ALA B 26 0.270 -2.840 13.573 1.00 0.00 C ATOM 0 H ALA B 26 1.927 -3.678 15.184 1.00 0.00 H new ATOM 0 HA ALA B 26 1.711 -3.911 12.383 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.285 -2.459 12.716 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.203 -3.753 13.935 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.271 -2.093 14.366 1.00 0.00 H new ATOM 1265 N GLU B 27 2.892 -1.007 13.402 1.00 0.00 N ATOM 1266 CA GLU B 27 3.752 0.120 12.968 1.00 0.00 C ATOM 1267 C GLU B 27 5.034 -0.381 12.316 1.00 0.00 C ATOM 1268 O GLU B 27 5.437 0.155 11.287 1.00 0.00 O ATOM 1269 CB GLU B 27 4.150 1.096 14.086 1.00 0.00 C ATOM 1270 CG GLU B 27 3.090 2.165 14.316 1.00 0.00 C ATOM 1271 CD GLU B 27 3.605 3.227 15.277 1.00 0.00 C ATOM 1272 OE1 GLU B 27 3.447 3.061 16.507 1.00 0.00 O ATOM 1273 OE2 GLU B 27 4.171 4.232 14.791 1.00 0.00 O ATOM 0 H GLU B 27 2.733 -1.044 14.409 1.00 0.00 H new ATOM 0 HA GLU B 27 3.128 0.664 12.259 1.00 0.00 H new ATOM 0 HB2 GLU B 27 4.312 0.541 15.010 1.00 0.00 H new ATOM 0 HB3 GLU B 27 5.096 1.573 13.831 1.00 0.00 H new ATOM 0 HG2 GLU B 27 2.818 2.626 13.367 1.00 0.00 H new ATOM 0 HG3 GLU B 27 2.186 1.709 14.719 1.00 0.00 H new ATOM 1280 N LYS B 28 5.655 -1.433 12.849 1.00 0.00 N ATOM 1281 CA LYS B 28 6.857 -2.018 12.231 1.00 0.00 C ATOM 1282 C LYS B 28 6.578 -2.597 10.826 1.00 0.00 C ATOM 1283 O LYS B 28 7.312 -2.294 9.886 1.00 0.00 O ATOM 1284 CB LYS B 28 7.453 -3.068 13.187 1.00 0.00 C ATOM 1285 CG LYS B 28 8.821 -3.607 12.740 1.00 0.00 C ATOM 1286 CD LYS B 28 9.425 -4.587 13.761 1.00 0.00 C ATOM 1287 CE LYS B 28 8.570 -5.847 13.965 1.00 0.00 C ATOM 1288 NZ LYS B 28 9.193 -6.785 14.923 1.00 0.00 N ATOM 0 H LYS B 28 5.352 -1.900 13.704 1.00 0.00 H new ATOM 0 HA LYS B 28 7.589 -1.226 12.074 1.00 0.00 H new ATOM 0 HB2 LYS B 28 7.553 -2.628 14.179 1.00 0.00 H new ATOM 0 HB3 LYS B 28 6.756 -3.901 13.277 1.00 0.00 H new ATOM 0 HG2 LYS B 28 8.715 -4.108 11.778 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.507 -2.773 12.591 1.00 0.00 H new ATOM 0 HD2 LYS B 28 10.421 -4.881 13.429 1.00 0.00 H new ATOM 0 HD3 LYS B 28 9.545 -4.078 14.717 1.00 0.00 H new ATOM 0 HE2 LYS B 28 7.582 -5.561 14.327 1.00 0.00 H new ATOM 0 HE3 LYS B 28 8.426 -6.348 13.007 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 8.586 -7.622 15.034 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 10.125 -7.078 14.566 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 9.307 -6.316 15.844 1.00 0.00 H new ATOM 1302 N VAL B 29 5.521 -3.394 10.633 1.00 0.00 N ATOM 1303 CA VAL B 29 5.120 -3.921 9.308 1.00 0.00 C ATOM 1304 C VAL B 29 4.783 -2.793 8.325 1.00 0.00 C ATOM 1305 O VAL B 29 5.363 -2.725 7.239 1.00 0.00 O ATOM 1306 CB VAL B 29 3.934 -4.902 9.446 1.00 0.00 C ATOM 1307 CG1 VAL B 29 3.401 -5.376 8.089 1.00 0.00 C ATOM 1308 CG2 VAL B 29 4.364 -6.150 10.233 1.00 0.00 C ATOM 0 H VAL B 29 4.911 -3.698 11.392 1.00 0.00 H new ATOM 0 HA VAL B 29 5.972 -4.464 8.900 1.00 0.00 H new ATOM 0 HB VAL B 29 3.147 -4.355 9.966 1.00 0.00 H new ATOM 0 HG11 VAL B 29 2.569 -6.063 8.245 1.00 0.00 H new ATOM 0 HG12 VAL B 29 3.059 -4.517 7.512 1.00 0.00 H new ATOM 0 HG13 VAL B 29 4.195 -5.886 7.544 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.519 -6.833 10.323 1.00 0.00 H new ATOM 0 HG22 VAL B 29 5.179 -6.648 9.708 1.00 0.00 H new ATOM 0 HG23 VAL B 29 4.700 -5.855 11.227 1.00 0.00 H new ATOM 1318 N PHE B 30 3.905 -1.867 8.716 1.00 0.00 N ATOM 1319 CA PHE B 30 3.555 -0.743 7.845 1.00 0.00 C ATOM 1320 C PHE B 30 4.774 0.123 7.462 1.00 0.00 C ATOM 1321 O PHE B 30 4.908 0.513 6.303 1.00 0.00 O ATOM 1322 CB PHE B 30 2.480 0.147 8.476 1.00 0.00 C ATOM 1323 CG PHE B 30 1.133 -0.490 8.789 1.00 0.00 C ATOM 1324 CD1 PHE B 30 0.508 -1.370 7.880 1.00 0.00 C ATOM 1325 CD2 PHE B 30 0.479 -0.165 9.995 1.00 0.00 C ATOM 1326 CE1 PHE B 30 -0.750 -1.922 8.182 1.00 0.00 C ATOM 1327 CE2 PHE B 30 -0.775 -0.722 10.297 1.00 0.00 C ATOM 1328 CZ PHE B 30 -1.392 -1.595 9.387 1.00 0.00 C ATOM 0 H PHE B 30 3.429 -1.872 9.618 1.00 0.00 H new ATOM 0 HA PHE B 30 3.162 -1.193 6.933 1.00 0.00 H new ATOM 0 HB2 PHE B 30 2.883 0.554 9.403 1.00 0.00 H new ATOM 0 HB3 PHE B 30 2.306 0.990 7.807 1.00 0.00 H new ATOM 0 HD1 PHE B 30 0.997 -1.620 6.950 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.945 0.517 10.691 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -1.223 -2.599 7.486 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -1.264 -0.479 11.229 1.00 0.00 H new ATOM 0 HZ PHE B 30 -2.361 -2.015 9.614 1.00 0.00 H new ATOM 1338 N LYS B 31 5.699 0.368 8.395 1.00 0.00 N ATOM 1339 CA LYS B 31 6.929 1.123 8.107 1.00 0.00 C ATOM 1340 C LYS B 31 7.971 0.324 7.303 1.00 0.00 C ATOM 1341 O LYS B 31 8.821 0.930 6.650 1.00 0.00 O ATOM 1342 CB LYS B 31 7.553 1.665 9.400 1.00 0.00 C ATOM 1343 CG LYS B 31 6.673 2.776 9.994 1.00 0.00 C ATOM 1344 CD LYS B 31 7.192 3.243 11.356 1.00 0.00 C ATOM 1345 CE LYS B 31 6.128 4.128 12.012 1.00 0.00 C ATOM 1346 NZ LYS B 31 6.551 4.589 13.347 1.00 0.00 N ATOM 0 H LYS B 31 5.621 0.054 9.362 1.00 0.00 H new ATOM 0 HA LYS B 31 6.625 1.956 7.473 1.00 0.00 H new ATOM 0 HB2 LYS B 31 7.667 0.857 10.123 1.00 0.00 H new ATOM 0 HB3 LYS B 31 8.551 2.053 9.195 1.00 0.00 H new ATOM 0 HG2 LYS B 31 6.642 3.622 9.307 1.00 0.00 H new ATOM 0 HG3 LYS B 31 5.651 2.413 10.099 1.00 0.00 H new ATOM 0 HD2 LYS B 31 7.413 2.385 11.990 1.00 0.00 H new ATOM 0 HD3 LYS B 31 8.123 3.798 11.235 1.00 0.00 H new ATOM 0 HE2 LYS B 31 5.928 4.990 11.375 1.00 0.00 H new ATOM 0 HE3 LYS B 31 5.194 3.572 12.098 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 5.780 4.434 14.028 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 7.391 4.056 13.648 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 6.780 5.603 13.308 1.00 0.00 H new ATOM 1360 N GLN B 32 7.913 -1.014 7.286 1.00 0.00 N ATOM 1361 CA GLN B 32 8.725 -1.860 6.396 1.00 0.00 C ATOM 1362 C GLN B 32 8.253 -1.770 4.933 1.00 0.00 C ATOM 1363 O GLN B 32 9.082 -1.601 4.037 1.00 0.00 O ATOM 1364 CB GLN B 32 8.674 -3.317 6.893 1.00 0.00 C ATOM 1365 CG GLN B 32 9.744 -3.600 7.952 1.00 0.00 C ATOM 1366 CD GLN B 32 9.595 -5.000 8.505 1.00 0.00 C ATOM 1367 OE1 GLN B 32 10.365 -5.901 8.195 1.00 0.00 O ATOM 1368 NE2 GLN B 32 8.592 -5.223 9.325 1.00 0.00 N ATOM 0 H GLN B 32 7.294 -1.548 7.896 1.00 0.00 H new ATOM 0 HA GLN B 32 9.753 -1.499 6.422 1.00 0.00 H new ATOM 0 HB2 GLN B 32 7.688 -3.524 7.310 1.00 0.00 H new ATOM 0 HB3 GLN B 32 8.812 -3.993 6.049 1.00 0.00 H new ATOM 0 HG2 GLN B 32 10.735 -3.480 7.515 1.00 0.00 H new ATOM 0 HG3 GLN B 32 9.663 -2.874 8.761 1.00 0.00 H new ATOM 0 HE21 GLN B 32 7.959 -4.463 9.574 1.00 0.00 H new ATOM 0 HE22 GLN B 32 8.447 -6.156 9.712 1.00 0.00 H new ATOM 1377 N TYR B 33 6.939 -1.812 4.668 1.00 0.00 N ATOM 1378 CA TYR B 33 6.403 -1.563 3.316 1.00 0.00 C ATOM 1379 C TYR B 33 6.612 -0.101 2.867 1.00 0.00 C ATOM 1380 O TYR B 33 7.128 0.165 1.782 1.00 0.00 O ATOM 1381 CB TYR B 33 4.911 -1.933 3.258 1.00 0.00 C ATOM 1382 CG TYR B 33 4.637 -3.392 2.932 1.00 0.00 C ATOM 1383 CD1 TYR B 33 4.834 -4.394 3.903 1.00 0.00 C ATOM 1384 CD2 TYR B 33 4.158 -3.746 1.653 1.00 0.00 C ATOM 1385 CE1 TYR B 33 4.547 -5.740 3.598 1.00 0.00 C ATOM 1386 CE2 TYR B 33 3.873 -5.092 1.353 1.00 0.00 C ATOM 1387 CZ TYR B 33 4.064 -6.086 2.326 1.00 0.00 C ATOM 1388 OH TYR B 33 3.766 -7.381 2.032 1.00 0.00 O ATOM 0 H TYR B 33 6.227 -2.015 5.369 1.00 0.00 H new ATOM 0 HA TYR B 33 6.958 -2.196 2.624 1.00 0.00 H new ATOM 0 HB2 TYR B 33 4.453 -1.696 4.218 1.00 0.00 H new ATOM 0 HB3 TYR B 33 4.423 -1.309 2.509 1.00 0.00 H new ATOM 0 HD1 TYR B 33 5.205 -4.130 4.882 1.00 0.00 H new ATOM 0 HD2 TYR B 33 4.010 -2.983 0.903 1.00 0.00 H new ATOM 0 HE1 TYR B 33 4.699 -6.506 4.344 1.00 0.00 H new ATOM 0 HE2 TYR B 33 3.507 -5.360 0.373 1.00 0.00 H new ATOM 0 HH TYR B 33 3.044 -7.408 1.370 1.00 0.00 H new ATOM 1398 N PHE B 34 6.245 0.821 3.755 1.00 0.00 N ATOM 1399 CA PHE B 34 6.272 2.280 3.547 1.00 0.00 C ATOM 1400 C PHE B 34 7.621 2.946 3.923 1.00 0.00 C ATOM 1401 O PHE B 34 7.671 4.092 4.377 1.00 0.00 O ATOM 1402 CB PHE B 34 5.017 2.944 4.142 1.00 0.00 C ATOM 1403 CG PHE B 34 3.709 2.392 3.583 1.00 0.00 C ATOM 1404 CD1 PHE B 34 3.487 2.374 2.189 1.00 0.00 C ATOM 1405 CD2 PHE B 34 2.715 1.883 4.442 1.00 0.00 C ATOM 1406 CE1 PHE B 34 2.301 1.832 1.662 1.00 0.00 C ATOM 1407 CE2 PHE B 34 1.530 1.337 3.914 1.00 0.00 C ATOM 1408 CZ PHE B 34 1.323 1.311 2.525 1.00 0.00 C ATOM 0 H PHE B 34 5.905 0.567 4.682 1.00 0.00 H new ATOM 0 HA PHE B 34 6.221 2.460 2.473 1.00 0.00 H new ATOM 0 HB2 PHE B 34 5.024 2.811 5.224 1.00 0.00 H new ATOM 0 HB3 PHE B 34 5.059 4.017 3.952 1.00 0.00 H new ATOM 0 HD1 PHE B 34 4.234 2.779 1.522 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.863 1.912 5.511 1.00 0.00 H new ATOM 0 HE1 PHE B 34 2.142 1.816 0.594 1.00 0.00 H new ATOM 0 HE2 PHE B 34 0.778 0.937 4.578 1.00 0.00 H new ATOM 0 HZ PHE B 34 0.413 0.891 2.121 1.00 0.00 H new ATOM 1418 N ASN B 35 8.730 2.225 3.725 1.00 0.00 N ATOM 1419 CA ASN B 35 10.114 2.606 3.962 1.00 0.00 C ATOM 1420 C ASN B 35 10.655 3.702 3.001 1.00 0.00 C ATOM 1421 O ASN B 35 11.503 3.436 2.142 1.00 0.00 O ATOM 1422 CB ASN B 35 10.870 1.276 3.874 1.00 0.00 C ATOM 1423 CG ASN B 35 12.350 1.397 4.133 1.00 0.00 C ATOM 1424 OD1 ASN B 35 12.827 2.216 4.910 1.00 0.00 O ATOM 1425 ND2 ASN B 35 13.113 0.559 3.475 1.00 0.00 N ATOM 0 H ASN B 35 8.668 1.274 3.361 1.00 0.00 H new ATOM 0 HA ASN B 35 10.241 3.095 4.928 1.00 0.00 H new ATOM 0 HB2 ASN B 35 10.441 0.577 4.592 1.00 0.00 H new ATOM 0 HB3 ASN B 35 10.718 0.848 2.883 1.00 0.00 H new ATOM 0 HD21 ASN B 35 14.124 0.580 3.605 1.00 0.00 H new ATOM 0 HD22 ASN B 35 12.695 -0.115 2.833 1.00 0.00 H new ATOM 1432 N ASP B 36 10.155 4.941 3.133 1.00 0.00 N ATOM 1433 CA ASP B 36 10.548 6.131 2.340 1.00 0.00 C ATOM 1434 C ASP B 36 10.524 5.900 0.814 1.00 0.00 C ATOM 1435 O ASP B 36 11.435 6.282 0.076 1.00 0.00 O ATOM 1436 CB ASP B 36 11.898 6.668 2.861 1.00 0.00 C ATOM 1437 CG ASP B 36 12.337 8.032 2.278 1.00 0.00 C ATOM 1438 OD1 ASP B 36 11.483 8.936 2.116 1.00 0.00 O ATOM 1439 OD2 ASP B 36 13.555 8.213 2.027 1.00 0.00 O ATOM 0 H ASP B 36 9.435 5.157 3.823 1.00 0.00 H new ATOM 0 HA ASP B 36 9.791 6.901 2.488 1.00 0.00 H new ATOM 0 HB2 ASP B 36 11.840 6.757 3.946 1.00 0.00 H new ATOM 0 HB3 ASP B 36 12.672 5.932 2.642 1.00 0.00 H new ATOM 1444 N ASN B 37 9.459 5.247 0.343 1.00 0.00 N ATOM 1445 CA ASN B 37 9.195 5.052 -1.094 1.00 0.00 C ATOM 1446 C ASN B 37 9.006 6.414 -1.814 1.00 0.00 C ATOM 1447 O ASN B 37 9.446 6.619 -2.947 1.00 0.00 O ATOM 1448 CB ASN B 37 7.946 4.164 -1.259 1.00 0.00 C ATOM 1449 CG ASN B 37 8.029 2.822 -0.540 1.00 0.00 C ATOM 1450 OD1 ASN B 37 9.089 2.248 -0.322 1.00 0.00 O ATOM 1451 ND2 ASN B 37 6.895 2.303 -0.118 1.00 0.00 N ATOM 0 H ASN B 37 8.748 4.834 0.947 1.00 0.00 H new ATOM 0 HA ASN B 37 10.052 4.559 -1.554 1.00 0.00 H new ATOM 0 HB2 ASN B 37 7.077 4.708 -0.889 1.00 0.00 H new ATOM 0 HB3 ASN B 37 7.781 3.984 -2.321 1.00 0.00 H new ATOM 0 HD21 ASN B 37 6.897 1.420 0.392 1.00 0.00 H new ATOM 0 HD22 ASN B 37 6.014 2.784 -0.301 1.00 0.00 H new ATOM 1458 N GLY B 38 8.356 7.340 -1.100 1.00 0.00 N ATOM 1459 CA GLY B 38 8.115 8.727 -1.533 1.00 0.00 C ATOM 1460 C GLY B 38 7.131 9.555 -0.698 1.00 0.00 C ATOM 1461 O GLY B 38 7.267 10.779 -0.645 1.00 0.00 O ATOM 0 H GLY B 38 7.970 7.142 -0.177 1.00 0.00 H new ATOM 0 HA2 GLY B 38 9.072 9.249 -1.546 1.00 0.00 H new ATOM 0 HA3 GLY B 38 7.751 8.703 -2.560 1.00 0.00 H new ATOM 1465 N VAL B 39 6.164 8.913 -0.030 1.00 0.00 N ATOM 1466 CA VAL B 39 5.156 9.598 0.812 1.00 0.00 C ATOM 1467 C VAL B 39 5.789 10.484 1.901 1.00 0.00 C ATOM 1468 O VAL B 39 5.425 11.656 2.015 1.00 0.00 O ATOM 1469 CB VAL B 39 4.128 8.601 1.402 1.00 0.00 C ATOM 1470 CG1 VAL B 39 4.737 7.448 2.215 1.00 0.00 C ATOM 1471 CG2 VAL B 39 3.066 9.282 2.274 1.00 0.00 C ATOM 0 H VAL B 39 6.052 7.899 -0.054 1.00 0.00 H new ATOM 0 HA VAL B 39 4.612 10.273 0.151 1.00 0.00 H new ATOM 0 HB VAL B 39 3.669 8.180 0.507 1.00 0.00 H new ATOM 0 HG11 VAL B 39 3.940 6.804 2.586 1.00 0.00 H new ATOM 0 HG12 VAL B 39 5.406 6.868 1.579 1.00 0.00 H new ATOM 0 HG13 VAL B 39 5.298 7.853 3.057 1.00 0.00 H new ATOM 0 HG21 VAL B 39 2.375 8.532 2.658 1.00 0.00 H new ATOM 0 HG22 VAL B 39 3.551 9.790 3.108 1.00 0.00 H new ATOM 0 HG23 VAL B 39 2.516 10.009 1.676 1.00 0.00 H new ATOM 1481 N ASP B 40 6.761 9.945 2.659 1.00 0.00 N ATOM 1482 CA ASP B 40 7.446 10.568 3.820 1.00 0.00 C ATOM 1483 C ASP B 40 6.538 11.502 4.654 1.00 0.00 C ATOM 1484 O ASP B 40 6.893 12.632 5.003 1.00 0.00 O ATOM 1485 CB ASP B 40 8.751 11.236 3.341 1.00 0.00 C ATOM 1486 CG ASP B 40 9.674 11.727 4.482 1.00 0.00 C ATOM 1487 OD1 ASP B 40 9.824 11.015 5.506 1.00 0.00 O ATOM 1488 OD2 ASP B 40 10.278 12.820 4.341 1.00 0.00 O ATOM 0 H ASP B 40 7.115 9.007 2.471 1.00 0.00 H new ATOM 0 HA ASP B 40 7.704 9.779 4.527 1.00 0.00 H new ATOM 0 HB2 ASP B 40 9.302 10.527 2.724 1.00 0.00 H new ATOM 0 HB3 ASP B 40 8.498 12.084 2.704 1.00 0.00 H new ATOM 1493 N GLY B 41 5.320 11.025 4.915 1.00 0.00 N ATOM 1494 CA GLY B 41 4.224 11.806 5.492 1.00 0.00 C ATOM 1495 C GLY B 41 4.183 11.880 7.020 1.00 0.00 C ATOM 1496 O GLY B 41 4.966 11.239 7.727 1.00 0.00 O ATOM 0 H GLY B 41 5.061 10.057 4.725 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.283 12.822 5.101 1.00 0.00 H new ATOM 0 HA3 GLY B 41 3.281 11.384 5.143 1.00 0.00 H new ATOM 1500 N GLU B 42 3.232 12.667 7.530 1.00 0.00 N ATOM 1501 CA GLU B 42 2.863 12.731 8.958 1.00 0.00 C ATOM 1502 C GLU B 42 2.040 11.498 9.333 1.00 0.00 C ATOM 1503 O GLU B 42 0.986 11.267 8.740 1.00 0.00 O ATOM 1504 CB GLU B 42 2.062 14.014 9.236 1.00 0.00 C ATOM 1505 CG GLU B 42 1.727 14.187 10.717 1.00 0.00 C ATOM 1506 CD GLU B 42 1.117 15.562 10.951 1.00 0.00 C ATOM 1507 OE1 GLU B 42 -0.114 15.708 10.774 1.00 0.00 O ATOM 1508 OE2 GLU B 42 1.869 16.491 11.322 1.00 0.00 O ATOM 0 H GLU B 42 2.678 13.297 6.950 1.00 0.00 H new ATOM 0 HA GLU B 42 3.769 12.748 9.564 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.634 14.876 8.893 1.00 0.00 H new ATOM 0 HB3 GLU B 42 1.138 13.994 8.658 1.00 0.00 H new ATOM 0 HG2 GLU B 42 1.030 13.411 11.035 1.00 0.00 H new ATOM 0 HG3 GLU B 42 2.628 14.072 11.319 1.00 0.00 H new ATOM 1515 N TRP B 43 2.511 10.705 10.294 1.00 0.00 N ATOM 1516 CA TRP B 43 1.788 9.533 10.811 1.00 0.00 C ATOM 1517 C TRP B 43 0.851 9.927 11.974 1.00 0.00 C ATOM 1518 O TRP B 43 1.186 10.773 12.810 1.00 0.00 O ATOM 1519 CB TRP B 43 2.783 8.444 11.255 1.00 0.00 C ATOM 1520 CG TRP B 43 3.524 7.731 10.155 1.00 0.00 C ATOM 1521 CD1 TRP B 43 4.428 8.297 9.325 1.00 0.00 C ATOM 1522 CD2 TRP B 43 3.452 6.324 9.750 1.00 0.00 C ATOM 1523 NE1 TRP B 43 4.894 7.363 8.422 1.00 0.00 N ATOM 1524 CE2 TRP B 43 4.321 6.130 8.632 1.00 0.00 C ATOM 1525 CE3 TRP B 43 2.741 5.189 10.206 1.00 0.00 C ATOM 1526 CZ2 TRP B 43 4.467 4.889 7.992 1.00 0.00 C ATOM 1527 CZ3 TRP B 43 2.889 3.936 9.578 1.00 0.00 C ATOM 1528 CH2 TRP B 43 3.742 3.786 8.470 1.00 0.00 C ATOM 0 H TRP B 43 3.414 10.855 10.743 1.00 0.00 H new ATOM 0 HA TRP B 43 1.170 9.131 10.008 1.00 0.00 H new ATOM 0 HB2 TRP B 43 3.515 8.900 11.921 1.00 0.00 H new ATOM 0 HB3 TRP B 43 2.240 7.701 11.839 1.00 0.00 H new ATOM 0 HD1 TRP B 43 4.740 9.330 9.363 1.00 0.00 H new ATOM 0 HE1 TRP B 43 5.577 7.562 7.691 1.00 0.00 H new ATOM 0 HE3 TRP B 43 2.074 5.284 11.050 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 5.128 4.784 7.144 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 2.342 3.083 9.951 1.00 0.00 H new ATOM 0 HH2 TRP B 43 3.839 2.824 7.988 1.00 0.00 H new ATOM 1539 N THR B 44 -0.322 9.301 12.030 1.00 0.00 N ATOM 1540 CA THR B 44 -1.403 9.524 13.013 1.00 0.00 C ATOM 1541 C THR B 44 -1.999 8.172 13.435 1.00 0.00 C ATOM 1542 O THR B 44 -1.964 7.233 12.634 1.00 0.00 O ATOM 1543 CB THR B 44 -2.541 10.366 12.387 1.00 0.00 C ATOM 1544 OG1 THR B 44 -2.067 11.343 11.482 1.00 0.00 O ATOM 1545 CG2 THR B 44 -3.393 11.080 13.437 1.00 0.00 C ATOM 0 H THR B 44 -0.568 8.579 11.353 1.00 0.00 H new ATOM 0 HA THR B 44 -0.981 10.049 13.870 1.00 0.00 H new ATOM 0 HB THR B 44 -3.150 9.637 11.852 1.00 0.00 H new ATOM 0 HG1 THR B 44 -1.774 10.908 10.654 1.00 0.00 H new ATOM 0 HG21 THR B 44 -4.175 11.655 12.941 1.00 0.00 H new ATOM 0 HG22 THR B 44 -3.848 10.343 14.098 1.00 0.00 H new ATOM 0 HG23 THR B 44 -2.764 11.752 14.021 1.00 0.00 H new ATOM 1553 N TYR B 45 -2.586 8.033 14.632 1.00 0.00 N ATOM 1554 CA TYR B 45 -3.195 6.777 15.106 1.00 0.00 C ATOM 1555 C TYR B 45 -4.421 7.010 16.012 1.00 0.00 C ATOM 1556 O TYR B 45 -4.398 7.870 16.898 1.00 0.00 O ATOM 1557 CB TYR B 45 -2.135 5.996 15.898 1.00 0.00 C ATOM 1558 CG TYR B 45 -2.609 4.694 16.527 1.00 0.00 C ATOM 1559 CD1 TYR B 45 -3.114 3.659 15.718 1.00 0.00 C ATOM 1560 CD2 TYR B 45 -2.523 4.499 17.921 1.00 0.00 C ATOM 1561 CE1 TYR B 45 -3.512 2.437 16.287 1.00 0.00 C ATOM 1562 CE2 TYR B 45 -2.926 3.275 18.491 1.00 0.00 C ATOM 1563 CZ TYR B 45 -3.415 2.243 17.673 1.00 0.00 C ATOM 1564 OH TYR B 45 -3.798 1.056 18.215 1.00 0.00 O ATOM 0 H TYR B 45 -2.653 8.795 15.307 1.00 0.00 H new ATOM 0 HA TYR B 45 -3.539 6.224 14.232 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -1.301 5.774 15.232 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -1.750 6.641 16.688 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -3.196 3.805 14.651 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -2.147 5.290 18.553 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -3.893 1.647 15.657 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -2.859 3.130 19.559 1.00 0.00 H new ATOM 0 HH TYR B 45 -3.961 1.172 19.174 1.00 0.00 H new ATOM 1574 N ASP B 46 -5.473 6.213 15.803 1.00 0.00 N ATOM 1575 CA ASP B 46 -6.671 6.088 16.650 1.00 0.00 C ATOM 1576 C ASP B 46 -6.774 4.654 17.184 1.00 0.00 C ATOM 1577 O ASP B 46 -7.005 3.716 16.413 1.00 0.00 O ATOM 1578 CB ASP B 46 -7.932 6.467 15.853 1.00 0.00 C ATOM 1579 CG ASP B 46 -8.013 7.966 15.495 1.00 0.00 C ATOM 1580 OD1 ASP B 46 -8.411 8.774 16.370 1.00 0.00 O ATOM 1581 OD2 ASP B 46 -7.709 8.335 14.333 1.00 0.00 O ATOM 0 H ASP B 46 -5.517 5.599 14.990 1.00 0.00 H new ATOM 0 HA ASP B 46 -6.588 6.772 17.494 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -7.960 5.881 14.934 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -8.813 6.193 16.433 1.00 0.00 H new ATOM 1586 N ASP B 47 -6.602 4.456 18.498 1.00 0.00 N ATOM 1587 CA ASP B 47 -6.618 3.124 19.129 1.00 0.00 C ATOM 1588 C ASP B 47 -8.031 2.533 19.228 1.00 0.00 C ATOM 1589 O ASP B 47 -8.237 1.348 18.994 1.00 0.00 O ATOM 1590 CB ASP B 47 -5.977 3.240 20.524 1.00 0.00 C ATOM 1591 CG ASP B 47 -5.706 1.871 21.179 1.00 0.00 C ATOM 1592 OD1 ASP B 47 -4.761 1.176 20.735 1.00 0.00 O ATOM 1593 OD2 ASP B 47 -6.430 1.506 22.136 1.00 0.00 O ATOM 0 H ASP B 47 -6.447 5.218 19.159 1.00 0.00 H new ATOM 0 HA ASP B 47 -6.048 2.438 18.502 1.00 0.00 H new ATOM 0 HB2 ASP B 47 -5.039 3.789 20.442 1.00 0.00 H new ATOM 0 HB3 ASP B 47 -6.632 3.823 21.171 1.00 0.00 H new ATOM 1598 N ALA B 48 -9.034 3.383 19.444 1.00 0.00 N ATOM 1599 CA ALA B 48 -10.467 3.029 19.501 1.00 0.00 C ATOM 1600 C ALA B 48 -11.042 2.399 18.202 1.00 0.00 C ATOM 1601 O ALA B 48 -12.181 1.926 18.165 1.00 0.00 O ATOM 1602 CB ALA B 48 -11.239 4.299 19.884 1.00 0.00 C ATOM 0 H ALA B 48 -8.873 4.379 19.591 1.00 0.00 H new ATOM 0 HA ALA B 48 -10.583 2.241 20.245 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -12.305 4.075 19.936 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -10.895 4.655 20.855 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -11.066 5.070 19.133 1.00 0.00 H new ATOM 1608 N THR B 49 -10.247 2.448 17.133 1.00 0.00 N ATOM 1609 CA THR B 49 -10.472 1.742 15.861 1.00 0.00 C ATOM 1610 C THR B 49 -9.250 0.930 15.360 1.00 0.00 C ATOM 1611 O THR B 49 -9.216 0.504 14.205 1.00 0.00 O ATOM 1612 CB THR B 49 -11.102 2.711 14.835 1.00 0.00 C ATOM 1613 OG1 THR B 49 -11.553 2.084 13.654 1.00 0.00 O ATOM 1614 CG2 THR B 49 -10.193 3.885 14.474 1.00 0.00 C ATOM 0 H THR B 49 -9.391 3.003 17.124 1.00 0.00 H new ATOM 0 HA THR B 49 -11.199 0.947 16.029 1.00 0.00 H new ATOM 0 HB THR B 49 -11.976 3.099 15.359 1.00 0.00 H new ATOM 0 HG1 THR B 49 -10.956 1.340 13.430 1.00 0.00 H new ATOM 0 HG21 THR B 49 -10.696 4.526 13.750 1.00 0.00 H new ATOM 0 HG22 THR B 49 -9.967 4.460 15.372 1.00 0.00 H new ATOM 0 HG23 THR B 49 -9.266 3.508 14.042 1.00 0.00 H new ATOM 1622 N LYS B 50 -8.207 0.730 16.186 1.00 0.00 N ATOM 1623 CA LYS B 50 -6.894 0.156 15.822 1.00 0.00 C ATOM 1624 C LYS B 50 -6.367 0.576 14.426 1.00 0.00 C ATOM 1625 O LYS B 50 -5.845 -0.244 13.665 1.00 0.00 O ATOM 1626 CB LYS B 50 -6.915 -1.376 16.029 1.00 0.00 C ATOM 1627 CG LYS B 50 -7.188 -1.853 17.469 1.00 0.00 C ATOM 1628 CD LYS B 50 -6.198 -1.267 18.487 1.00 0.00 C ATOM 1629 CE LYS B 50 -6.288 -1.923 19.872 1.00 0.00 C ATOM 1630 NZ LYS B 50 -5.296 -3.004 20.053 1.00 0.00 N ATOM 0 H LYS B 50 -8.257 0.976 17.175 1.00 0.00 H new ATOM 0 HA LYS B 50 -6.160 0.589 16.502 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -7.676 -1.802 15.375 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -5.955 -1.781 15.708 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -8.203 -1.574 17.753 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -7.136 -2.941 17.503 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -5.184 -1.382 18.104 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -6.382 -0.197 18.587 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -6.138 -1.164 20.640 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -7.290 -2.327 20.015 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -4.893 -2.949 21.010 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -5.760 -3.926 19.925 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -4.536 -2.899 19.351 1.00 0.00 H new ATOM 1644 N THR B 51 -6.528 1.854 14.066 1.00 0.00 N ATOM 1645 CA THR B 51 -6.258 2.336 12.689 1.00 0.00 C ATOM 1646 C THR B 51 -5.286 3.518 12.672 1.00 0.00 C ATOM 1647 O THR B 51 -5.361 4.421 13.508 1.00 0.00 O ATOM 1648 CB THR B 51 -7.556 2.703 11.937 1.00 0.00 C ATOM 1649 OG1 THR B 51 -8.414 1.586 11.823 1.00 0.00 O ATOM 1650 CG2 THR B 51 -7.335 3.201 10.504 1.00 0.00 C ATOM 0 H THR B 51 -6.845 2.583 14.705 1.00 0.00 H new ATOM 0 HA THR B 51 -5.787 1.503 12.166 1.00 0.00 H new ATOM 0 HB THR B 51 -7.986 3.504 12.539 1.00 0.00 H new ATOM 0 HG1 THR B 51 -8.663 1.272 12.717 1.00 0.00 H new ATOM 0 HG21 THR B 51 -8.297 3.436 10.048 1.00 0.00 H new ATOM 0 HG22 THR B 51 -6.713 4.096 10.522 1.00 0.00 H new ATOM 0 HG23 THR B 51 -6.838 2.425 9.922 1.00 0.00 H new ATOM 1658 N PHE B 52 -4.381 3.524 11.696 1.00 0.00 N ATOM 1659 CA PHE B 52 -3.328 4.507 11.462 1.00 0.00 C ATOM 1660 C PHE B 52 -3.616 5.278 10.162 1.00 0.00 C ATOM 1661 O PHE B 52 -4.131 4.707 9.198 1.00 0.00 O ATOM 1662 CB PHE B 52 -1.981 3.786 11.309 1.00 0.00 C ATOM 1663 CG PHE B 52 -1.461 3.093 12.550 1.00 0.00 C ATOM 1664 CD1 PHE B 52 -1.826 1.762 12.829 1.00 0.00 C ATOM 1665 CD2 PHE B 52 -0.589 3.776 13.418 1.00 0.00 C ATOM 1666 CE1 PHE B 52 -1.316 1.113 13.967 1.00 0.00 C ATOM 1667 CE2 PHE B 52 -0.104 3.137 14.572 1.00 0.00 C ATOM 1668 CZ PHE B 52 -0.466 1.805 14.844 1.00 0.00 C ATOM 0 H PHE B 52 -4.364 2.784 10.994 1.00 0.00 H new ATOM 0 HA PHE B 52 -3.294 5.197 12.305 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -2.075 3.046 10.514 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -1.237 4.512 10.982 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -2.500 1.238 12.167 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.293 4.791 13.197 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -1.578 0.084 14.166 1.00 0.00 H new ATOM 0 HE2 PHE B 52 0.547 3.669 15.250 1.00 0.00 H new ATOM 0 HZ PHE B 52 -0.089 1.314 15.729 1.00 0.00 H new ATOM 1678 N THR B 53 -3.265 6.558 10.117 1.00 0.00 N ATOM 1679 CA THR B 53 -3.477 7.427 8.946 1.00 0.00 C ATOM 1680 C THR B 53 -2.197 8.201 8.622 1.00 0.00 C ATOM 1681 O THR B 53 -1.597 8.810 9.511 1.00 0.00 O ATOM 1682 CB THR B 53 -4.642 8.408 9.192 1.00 0.00 C ATOM 1683 OG1 THR B 53 -5.816 7.720 9.575 1.00 0.00 O ATOM 1684 CG2 THR B 53 -4.999 9.235 7.956 1.00 0.00 C ATOM 0 H THR B 53 -2.818 7.036 10.899 1.00 0.00 H new ATOM 0 HA THR B 53 -3.735 6.795 8.096 1.00 0.00 H new ATOM 0 HB THR B 53 -4.291 9.069 9.984 1.00 0.00 H new ATOM 0 HG1 THR B 53 -6.538 8.365 9.726 1.00 0.00 H new ATOM 0 HG21 THR B 53 -5.825 9.905 8.193 1.00 0.00 H new ATOM 0 HG22 THR B 53 -4.133 9.821 7.648 1.00 0.00 H new ATOM 0 HG23 THR B 53 -5.294 8.569 7.145 1.00 0.00 H new ATOM 1692 N VAL B 54 -1.774 8.184 7.355 1.00 0.00 N ATOM 1693 CA VAL B 54 -0.523 8.802 6.864 1.00 0.00 C ATOM 1694 C VAL B 54 -0.838 9.760 5.713 1.00 0.00 C ATOM 1695 O VAL B 54 -1.593 9.407 4.806 1.00 0.00 O ATOM 1696 CB VAL B 54 0.503 7.740 6.414 1.00 0.00 C ATOM 1697 CG1 VAL B 54 1.856 8.379 6.068 1.00 0.00 C ATOM 1698 CG2 VAL B 54 0.757 6.706 7.517 1.00 0.00 C ATOM 0 H VAL B 54 -2.304 7.727 6.613 1.00 0.00 H new ATOM 0 HA VAL B 54 -0.075 9.357 7.688 1.00 0.00 H new ATOM 0 HB VAL B 54 0.075 7.259 5.534 1.00 0.00 H new ATOM 0 HG11 VAL B 54 2.555 7.604 5.755 1.00 0.00 H new ATOM 0 HG12 VAL B 54 1.723 9.096 5.258 1.00 0.00 H new ATOM 0 HG13 VAL B 54 2.251 8.891 6.945 1.00 0.00 H new ATOM 0 HG21 VAL B 54 1.484 5.973 7.168 1.00 0.00 H new ATOM 0 HG22 VAL B 54 1.145 7.208 8.404 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.177 6.201 7.765 1.00 0.00 H new ATOM 1708 N THR B 55 -0.307 10.982 5.766 1.00 0.00 N ATOM 1709 CA THR B 55 -0.622 12.062 4.810 1.00 0.00 C ATOM 1710 C THR B 55 0.648 12.792 4.330 1.00 0.00 C ATOM 1711 O THR B 55 1.482 13.158 5.165 1.00 0.00 O ATOM 1712 CB THR B 55 -1.647 13.035 5.427 1.00 0.00 C ATOM 1713 OG1 THR B 55 -2.846 12.361 5.747 1.00 0.00 O ATOM 1714 CG2 THR B 55 -2.035 14.191 4.504 1.00 0.00 C ATOM 0 H THR B 55 0.364 11.261 6.482 1.00 0.00 H new ATOM 0 HA THR B 55 -1.070 11.613 3.924 1.00 0.00 H new ATOM 0 HB THR B 55 -1.149 13.435 6.310 1.00 0.00 H new ATOM 0 HG1 THR B 55 -3.483 12.995 6.138 1.00 0.00 H new ATOM 0 HG21 THR B 55 -2.759 14.832 5.008 1.00 0.00 H new ATOM 0 HG22 THR B 55 -1.147 14.772 4.256 1.00 0.00 H new ATOM 0 HG23 THR B 55 -2.476 13.794 3.590 1.00 0.00 H new ATOM 1722 N GLU B 56 0.797 13.008 3.009 1.00 0.00 N ATOM 1723 CA GLU B 56 1.890 13.810 2.398 1.00 0.00 C ATOM 1724 C GLU B 56 1.919 15.254 2.914 1.00 0.00 C ATOM 1725 O GLU B 56 0.871 15.934 2.860 1.00 0.00 O ATOM 1726 CB GLU B 56 1.822 13.843 0.862 1.00 0.00 C ATOM 1727 CG GLU B 56 2.274 12.533 0.202 1.00 0.00 C ATOM 1728 CD GLU B 56 2.312 12.617 -1.319 1.00 0.00 C ATOM 1729 OE1 GLU B 56 2.064 13.703 -1.884 1.00 0.00 O ATOM 1730 OE2 GLU B 56 2.516 11.573 -1.976 1.00 0.00 O ATOM 1731 OXT GLU B 56 3.004 15.702 3.344 1.00 0.00 O ATOM 0 H GLU B 56 0.152 12.625 2.318 1.00 0.00 H new ATOM 0 HA GLU B 56 2.805 13.300 2.701 1.00 0.00 H new ATOM 0 HB2 GLU B 56 0.799 14.061 0.556 1.00 0.00 H new ATOM 0 HB3 GLU B 56 2.445 14.659 0.496 1.00 0.00 H new ATOM 0 HG2 GLU B 56 3.265 12.269 0.571 1.00 0.00 H new ATOM 0 HG3 GLU B 56 1.599 11.730 0.500 1.00 0.00 H new