USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 848 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 49 THR OG1 : rot -37:sc= 0.281 USER MOD Set 1.2: B 51 THR OG1 : rot 63:sc= 1.12 USER MOD Set 2.1: B 8 ASN : amide:sc= 0.561 K(o=0.56,f=0) USER MOD Set 2.2: B 55 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 49 THR OG1 : rot -85:sc= 2.07 USER MOD Set 3.2: A 51 THR OG1 : rot 100:sc= 0.972 USER MOD Set 4.1: A 11 THR OG1 : rot -146:sc= 1.34 USER MOD Set 4.2: B 33 TYR OH : rot 45:sc= 0.0358 USER MOD Set 5.1: A 8 ASN : amide:sc= 0.848 K(o=0.85,f=0) USER MOD Set 5.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 177:sc= 0 (180deg=-0.0145) USER MOD Single : A 1 MET N :NH3+ 167:sc= 0.723 (180deg=0.622) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 166:sc= 1.03 (180deg=0.865) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 161:sc= 1.08 (180deg=0.804) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.124 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 86:sc= 1.21 USER MOD Single : A 25 THR OG1 : rot 79:sc= 1.19 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc=-0.00254 X(o=-0.0025,f=0) USER MOD Single : A 33 TYR OH : rot 166:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.137 K(o=0.14,f=-2.5!) USER MOD Single : A 37 ASN : amide:sc= 0.351 K(o=0.35,f=-0.64) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= 1.12 (180deg=0.959) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl 176:sc= 0 (180deg=-0.0345) USER MOD Single : B 1 MET N :NH3+ 174:sc= 0.579 (180deg=0.563) USER MOD Single : B 2 GLN : amide:sc= 0.47 X(o=0.47,f=0) USER MOD Single : B 3 TYR OH : rot 180:sc= 0 USER MOD Single : B 4 LYS NZ :NH3+ 167:sc= 0.912 (180deg=0.792) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 THR OG1 : rot 180:sc= -0.0989 USER MOD Single : B 17 THR OG1 : rot 180:sc= 0 USER MOD Single : B 18 THR OG1 : rot 90:sc= 0.993 USER MOD Single : B 25 THR OG1 : rot 88:sc= 1.21 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 167:sc= 1.15 (180deg=0.99) USER MOD Single : B 32 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.11) USER MOD Single : B 35 ASN : amide:sc= 0.647 K(o=0.65,f=0) USER MOD Single : B 37 ASN : amide:sc= 1.81 K(o=1.8,f=-0.14) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 45 TYR OH : rot -154:sc= 1.23 USER MOD Single : B 50 LYS NZ :NH3+ -148:sc= 0.528 (180deg=-0.0498) USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.852 9.084 -17.197 1.00 0.00 N ATOM 2 CA MET A 1 -4.905 8.081 -16.893 1.00 0.00 C ATOM 3 C MET A 1 -4.719 7.527 -15.483 1.00 0.00 C ATOM 4 O MET A 1 -3.589 7.373 -15.024 1.00 0.00 O ATOM 5 CB MET A 1 -4.922 6.965 -17.958 1.00 0.00 C ATOM 6 CG MET A 1 -6.034 5.925 -17.756 1.00 0.00 C ATOM 7 SD MET A 1 -7.710 6.622 -17.646 1.00 0.00 S ATOM 8 CE MET A 1 -8.660 5.108 -17.345 1.00 0.00 C ATOM 0 H1 MET A 1 -3.852 9.289 -18.217 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.043 9.959 -16.668 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.923 8.707 -16.920 1.00 0.00 H new ATOM 0 HA MET A 1 -5.879 8.570 -16.927 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.037 7.418 -18.943 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.958 6.457 -17.952 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.004 5.214 -18.582 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.827 5.364 -16.845 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.710 5.361 -17.198 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.563 4.441 -18.202 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.279 4.610 -16.453 1.00 0.00 H new ATOM 20 N GLN A 2 -5.821 7.255 -14.779 1.00 0.00 N ATOM 21 CA GLN A 2 -5.815 6.610 -13.455 1.00 0.00 C ATOM 22 C GLN A 2 -5.689 5.076 -13.561 1.00 0.00 C ATOM 23 O GLN A 2 -6.349 4.442 -14.387 1.00 0.00 O ATOM 24 CB GLN A 2 -7.069 7.028 -12.671 1.00 0.00 C ATOM 25 CG GLN A 2 -7.016 6.604 -11.194 1.00 0.00 C ATOM 26 CD GLN A 2 -7.627 7.656 -10.297 1.00 0.00 C ATOM 27 OE1 GLN A 2 -8.820 7.658 -10.023 1.00 0.00 O ATOM 28 NE2 GLN A 2 -6.821 8.582 -9.821 1.00 0.00 N ATOM 0 H GLN A 2 -6.758 7.478 -15.114 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.934 6.949 -12.909 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -7.185 8.110 -12.730 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -7.949 6.587 -13.140 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -7.547 5.661 -11.065 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -5.981 6.430 -10.901 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -5.829 8.566 -10.059 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -7.188 9.315 -9.214 1.00 0.00 H new ATOM 37 N TYR A 3 -4.825 4.497 -12.728 1.00 0.00 N ATOM 38 CA TYR A 3 -4.569 3.058 -12.580 1.00 0.00 C ATOM 39 C TYR A 3 -4.749 2.596 -11.122 1.00 0.00 C ATOM 40 O TYR A 3 -4.603 3.402 -10.198 1.00 0.00 O ATOM 41 CB TYR A 3 -3.153 2.749 -13.082 1.00 0.00 C ATOM 42 CG TYR A 3 -2.952 3.007 -14.566 1.00 0.00 C ATOM 43 CD1 TYR A 3 -2.565 4.281 -15.023 1.00 0.00 C ATOM 44 CD2 TYR A 3 -3.179 1.974 -15.495 1.00 0.00 C ATOM 45 CE1 TYR A 3 -2.430 4.527 -16.401 1.00 0.00 C ATOM 46 CE2 TYR A 3 -3.063 2.227 -16.874 1.00 0.00 C ATOM 47 CZ TYR A 3 -2.703 3.507 -17.326 1.00 0.00 C ATOM 48 OH TYR A 3 -2.623 3.764 -18.661 1.00 0.00 O ATOM 0 H TYR A 3 -4.247 5.052 -12.097 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.296 2.508 -13.177 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.440 3.351 -12.519 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.924 1.704 -12.871 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -2.371 5.072 -14.313 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -3.443 0.986 -15.149 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -2.116 5.501 -16.748 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -3.251 1.436 -17.585 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.841 2.952 -19.164 1.00 0.00 H new ATOM 58 N LYS A 4 -4.986 1.301 -10.896 1.00 0.00 N ATOM 59 CA LYS A 4 -5.224 0.715 -9.564 1.00 0.00 C ATOM 60 C LYS A 4 -4.360 -0.544 -9.310 1.00 0.00 C ATOM 61 O LYS A 4 -3.983 -1.228 -10.255 1.00 0.00 O ATOM 62 CB LYS A 4 -6.733 0.423 -9.459 1.00 0.00 C ATOM 63 CG LYS A 4 -7.178 -0.011 -8.054 1.00 0.00 C ATOM 64 CD LYS A 4 -8.682 -0.289 -7.993 1.00 0.00 C ATOM 65 CE LYS A 4 -9.016 -0.769 -6.579 1.00 0.00 C ATOM 66 NZ LYS A 4 -10.429 -1.165 -6.436 1.00 0.00 N ATOM 0 H LYS A 4 -5.020 0.612 -11.647 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.923 1.417 -8.786 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.288 1.315 -9.748 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.994 -0.359 -10.172 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.631 -0.907 -7.760 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.923 0.768 -7.335 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.246 0.612 -8.233 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.960 -1.044 -8.728 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.377 -1.615 -6.326 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.791 0.025 -5.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.553 -1.697 -5.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.027 -0.315 -6.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.705 -1.763 -7.241 1.00 0.00 H new ATOM 80 N LEU A 5 -4.086 -0.873 -8.044 1.00 0.00 N ATOM 81 CA LEU A 5 -3.275 -2.000 -7.558 1.00 0.00 C ATOM 82 C LEU A 5 -4.012 -2.743 -6.424 1.00 0.00 C ATOM 83 O LEU A 5 -4.502 -2.114 -5.483 1.00 0.00 O ATOM 84 CB LEU A 5 -1.940 -1.417 -7.051 1.00 0.00 C ATOM 85 CG LEU A 5 -0.743 -2.342 -6.756 1.00 0.00 C ATOM 86 CD1 LEU A 5 -0.911 -3.232 -5.526 1.00 0.00 C ATOM 87 CD2 LEU A 5 -0.365 -3.219 -7.945 1.00 0.00 C ATOM 0 H LEU A 5 -4.452 -0.317 -7.271 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.097 -2.721 -8.356 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.608 -0.686 -7.788 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.156 -0.869 -6.134 1.00 0.00 H new ATOM 0 HG LEU A 5 0.063 -1.639 -6.547 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.020 -3.847 -5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.052 -2.609 -4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.781 -3.876 -5.659 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.484 -3.848 -7.678 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.212 -3.849 -8.217 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.096 -2.588 -8.792 1.00 0.00 H new ATOM 99 N ILE A 6 -4.059 -4.074 -6.490 1.00 0.00 N ATOM 100 CA ILE A 6 -4.657 -4.956 -5.471 1.00 0.00 C ATOM 101 C ILE A 6 -3.564 -5.830 -4.837 1.00 0.00 C ATOM 102 O ILE A 6 -2.834 -6.528 -5.544 1.00 0.00 O ATOM 103 CB ILE A 6 -5.777 -5.829 -6.093 1.00 0.00 C ATOM 104 CG1 ILE A 6 -6.814 -4.957 -6.840 1.00 0.00 C ATOM 105 CG2 ILE A 6 -6.443 -6.686 -4.995 1.00 0.00 C ATOM 106 CD1 ILE A 6 -7.912 -5.753 -7.555 1.00 0.00 C ATOM 0 H ILE A 6 -3.670 -4.591 -7.279 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.110 -4.344 -4.691 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.333 -6.498 -6.830 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.281 -4.277 -6.127 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.293 -4.341 -7.573 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.229 -7.297 -5.438 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.696 -7.333 -4.535 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.875 -6.034 -4.236 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.595 -5.065 -8.052 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.460 -6.413 -8.295 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.463 -6.348 -6.827 1.00 0.00 H new ATOM 118 N LEU A 7 -3.468 -5.806 -3.507 1.00 0.00 N ATOM 119 CA LEU A 7 -2.434 -6.485 -2.724 1.00 0.00 C ATOM 120 C LEU A 7 -3.011 -7.681 -1.937 1.00 0.00 C ATOM 121 O LEU A 7 -3.847 -7.529 -1.042 1.00 0.00 O ATOM 122 CB LEU A 7 -1.725 -5.453 -1.829 1.00 0.00 C ATOM 123 CG LEU A 7 -0.511 -6.022 -1.070 1.00 0.00 C ATOM 124 CD1 LEU A 7 0.650 -6.367 -2.004 1.00 0.00 C ATOM 125 CD2 LEU A 7 -0.011 -5.002 -0.052 1.00 0.00 C ATOM 0 H LEU A 7 -4.131 -5.295 -2.925 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.690 -6.917 -3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.397 -4.615 -2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -2.441 -5.058 -1.108 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.847 -6.936 -0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.481 -6.764 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.325 -7.114 -2.728 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.973 -5.469 -2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.847 -5.411 0.481 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.284 -4.088 -0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.806 -4.777 0.659 1.00 0.00 H new ATOM 137 N ASN A 8 -2.518 -8.862 -2.301 1.00 0.00 N ATOM 138 CA ASN A 8 -2.794 -10.150 -1.670 1.00 0.00 C ATOM 139 C ASN A 8 -1.495 -10.794 -1.141 1.00 0.00 C ATOM 140 O ASN A 8 -0.622 -11.200 -1.911 1.00 0.00 O ATOM 141 CB ASN A 8 -3.570 -11.080 -2.616 1.00 0.00 C ATOM 142 CG ASN A 8 -4.669 -10.414 -3.421 1.00 0.00 C ATOM 143 OD1 ASN A 8 -5.845 -10.436 -3.074 1.00 0.00 O ATOM 144 ND2 ASN A 8 -4.293 -9.843 -4.543 1.00 0.00 N ATOM 0 H ASN A 8 -1.878 -8.951 -3.090 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.438 -9.978 -0.807 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.864 -11.540 -3.307 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.010 -11.885 -2.027 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -4.986 -9.404 -5.149 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.308 -9.839 -4.808 1.00 0.00 H new ATOM 151 N GLY A 9 -1.375 -10.895 0.178 1.00 0.00 N ATOM 152 CA GLY A 9 -0.217 -11.493 0.856 1.00 0.00 C ATOM 153 C GLY A 9 -0.448 -11.851 2.327 1.00 0.00 C ATOM 154 O GLY A 9 -1.453 -11.478 2.938 1.00 0.00 O ATOM 0 H GLY A 9 -2.090 -10.559 0.823 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.075 -12.395 0.319 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.621 -10.799 0.793 1.00 0.00 H new ATOM 158 N LYS A 10 0.483 -12.609 2.895 1.00 0.00 N ATOM 159 CA LYS A 10 0.442 -13.106 4.281 1.00 0.00 C ATOM 160 C LYS A 10 0.798 -12.021 5.325 1.00 0.00 C ATOM 161 O LYS A 10 0.219 -11.972 6.413 1.00 0.00 O ATOM 162 CB LYS A 10 1.415 -14.293 4.408 1.00 0.00 C ATOM 163 CG LYS A 10 1.045 -15.471 3.490 1.00 0.00 C ATOM 164 CD LYS A 10 2.058 -16.616 3.627 1.00 0.00 C ATOM 165 CE LYS A 10 1.706 -17.752 2.661 1.00 0.00 C ATOM 166 NZ LYS A 10 2.673 -18.865 2.747 1.00 0.00 N ATOM 0 H LYS A 10 1.319 -12.909 2.393 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.582 -13.414 4.492 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.424 -13.956 4.170 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.429 -14.636 5.443 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.047 -15.832 3.740 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.011 -15.133 2.454 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.063 -16.249 3.418 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.061 -16.988 4.652 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.705 -18.122 2.884 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.684 -17.368 1.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.401 -19.614 2.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.624 -18.518 2.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.676 -19.248 3.714 1.00 0.00 H new ATOM 180 N THR A 11 1.729 -11.131 4.984 1.00 0.00 N ATOM 181 CA THR A 11 2.221 -10.002 5.806 1.00 0.00 C ATOM 182 C THR A 11 1.341 -8.745 5.737 1.00 0.00 C ATOM 183 O THR A 11 1.229 -7.992 6.710 1.00 0.00 O ATOM 184 CB THR A 11 3.608 -9.561 5.288 1.00 0.00 C ATOM 185 OG1 THR A 11 3.631 -9.614 3.874 1.00 0.00 O ATOM 186 CG2 THR A 11 4.731 -10.446 5.821 1.00 0.00 C ATOM 0 H THR A 11 2.193 -11.172 4.077 1.00 0.00 H new ATOM 0 HA THR A 11 2.229 -10.376 6.830 1.00 0.00 H new ATOM 0 HB THR A 11 3.772 -8.543 5.643 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.526 -9.874 3.571 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.686 -10.097 5.429 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.746 -10.399 6.910 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.564 -11.476 5.505 1.00 0.00 H new ATOM 194 N LEU A 12 0.734 -8.498 4.572 1.00 0.00 N ATOM 195 CA LEU A 12 -0.101 -7.330 4.291 1.00 0.00 C ATOM 196 C LEU A 12 -1.163 -7.642 3.216 1.00 0.00 C ATOM 197 O LEU A 12 -0.903 -8.404 2.282 1.00 0.00 O ATOM 198 CB LEU A 12 0.829 -6.169 3.866 1.00 0.00 C ATOM 199 CG LEU A 12 0.181 -4.773 3.910 1.00 0.00 C ATOM 200 CD1 LEU A 12 -0.124 -4.335 5.341 1.00 0.00 C ATOM 201 CD2 LEU A 12 1.118 -3.718 3.330 1.00 0.00 C ATOM 0 H LEU A 12 0.814 -9.128 3.773 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.655 -7.043 5.185 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.705 -6.168 4.515 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.183 -6.358 2.853 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.738 -4.852 3.329 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.580 -3.345 5.329 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.811 -5.046 5.800 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.801 -4.301 5.916 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.637 -2.741 3.373 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.041 -3.693 3.909 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.347 -3.965 2.293 1.00 0.00 H new ATOM 213 N LYS A 13 -2.330 -7.007 3.311 1.00 0.00 N ATOM 214 CA LYS A 13 -3.372 -7.012 2.271 1.00 0.00 C ATOM 215 C LYS A 13 -3.895 -5.579 2.067 1.00 0.00 C ATOM 216 O LYS A 13 -3.844 -4.780 3.002 1.00 0.00 O ATOM 217 CB LYS A 13 -4.525 -7.953 2.662 1.00 0.00 C ATOM 218 CG LYS A 13 -4.113 -9.432 2.677 1.00 0.00 C ATOM 219 CD LYS A 13 -5.318 -10.332 2.997 1.00 0.00 C ATOM 220 CE LYS A 13 -4.997 -11.831 2.910 1.00 0.00 C ATOM 221 NZ LYS A 13 -4.020 -12.270 3.928 1.00 0.00 N ATOM 0 H LYS A 13 -2.589 -6.459 4.132 1.00 0.00 H new ATOM 0 HA LYS A 13 -2.942 -7.376 1.338 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.895 -7.675 3.649 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.350 -7.818 1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.695 -9.707 1.709 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.330 -9.588 3.419 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.678 -10.102 4.000 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.129 -10.101 2.306 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.918 -12.402 3.028 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.606 -12.057 1.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.078 -13.302 4.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.060 -12.009 3.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.233 -11.809 4.835 1.00 0.00 H new ATOM 235 N GLY A 14 -4.383 -5.215 0.879 1.00 0.00 N ATOM 236 CA GLY A 14 -4.835 -3.837 0.619 1.00 0.00 C ATOM 237 C GLY A 14 -5.155 -3.481 -0.835 1.00 0.00 C ATOM 238 O GLY A 14 -5.137 -4.335 -1.726 1.00 0.00 O ATOM 0 H GLY A 14 -4.477 -5.847 0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.726 -3.653 1.219 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.064 -3.153 0.975 1.00 0.00 H new ATOM 242 N GLU A 15 -5.443 -2.196 -1.068 1.00 0.00 N ATOM 243 CA GLU A 15 -5.780 -1.592 -2.377 1.00 0.00 C ATOM 244 C GLU A 15 -5.250 -0.160 -2.495 1.00 0.00 C ATOM 245 O GLU A 15 -5.454 0.657 -1.596 1.00 0.00 O ATOM 246 CB GLU A 15 -7.302 -1.540 -2.592 1.00 0.00 C ATOM 247 CG GLU A 15 -7.947 -2.915 -2.763 1.00 0.00 C ATOM 248 CD GLU A 15 -9.456 -2.768 -2.885 1.00 0.00 C ATOM 249 OE1 GLU A 15 -9.937 -2.462 -3.998 1.00 0.00 O ATOM 250 OE2 GLU A 15 -10.158 -2.964 -1.868 1.00 0.00 O ATOM 0 H GLU A 15 -5.450 -1.508 -0.315 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.311 -2.225 -3.130 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -7.763 -1.036 -1.743 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.515 -0.937 -3.475 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.548 -3.406 -3.651 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.702 -3.549 -1.911 1.00 0.00 H new ATOM 257 N THR A 16 -4.590 0.134 -3.615 1.00 0.00 N ATOM 258 CA THR A 16 -3.997 1.461 -3.902 1.00 0.00 C ATOM 259 C THR A 16 -4.252 1.967 -5.331 1.00 0.00 C ATOM 260 O THR A 16 -4.557 1.191 -6.237 1.00 0.00 O ATOM 261 CB THR A 16 -2.484 1.540 -3.584 1.00 0.00 C ATOM 262 OG1 THR A 16 -1.686 0.997 -4.605 1.00 0.00 O ATOM 263 CG2 THR A 16 -2.058 0.823 -2.304 1.00 0.00 C ATOM 0 H THR A 16 -4.445 -0.543 -4.364 1.00 0.00 H new ATOM 0 HA THR A 16 -4.527 2.125 -3.219 1.00 0.00 H new ATOM 0 HB THR A 16 -2.330 2.613 -3.472 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.741 1.073 -4.357 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.982 0.934 -2.166 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.580 1.258 -1.452 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.307 -0.235 -2.380 1.00 0.00 H new ATOM 271 N THR A 17 -4.149 3.282 -5.539 1.00 0.00 N ATOM 272 CA THR A 17 -4.533 3.967 -6.788 1.00 0.00 C ATOM 273 C THR A 17 -3.614 5.168 -7.071 1.00 0.00 C ATOM 274 O THR A 17 -3.269 5.925 -6.152 1.00 0.00 O ATOM 275 CB THR A 17 -5.993 4.482 -6.715 1.00 0.00 C ATOM 276 OG1 THR A 17 -6.857 3.601 -6.025 1.00 0.00 O ATOM 277 CG2 THR A 17 -6.624 4.697 -8.089 1.00 0.00 C ATOM 0 H THR A 17 -3.788 3.920 -4.830 1.00 0.00 H new ATOM 0 HA THR A 17 -4.438 3.234 -7.590 1.00 0.00 H new ATOM 0 HB THR A 17 -5.897 5.428 -6.182 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.762 3.976 -6.009 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.645 5.058 -7.968 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.043 5.433 -8.645 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.635 3.754 -8.636 1.00 0.00 H new ATOM 285 N THR A 18 -3.224 5.361 -8.336 1.00 0.00 N ATOM 286 CA THR A 18 -2.337 6.438 -8.825 1.00 0.00 C ATOM 287 C THR A 18 -2.782 6.932 -10.215 1.00 0.00 C ATOM 288 O THR A 18 -3.468 6.212 -10.942 1.00 0.00 O ATOM 289 CB THR A 18 -0.875 5.934 -8.932 1.00 0.00 C ATOM 290 OG1 THR A 18 0.026 6.997 -9.138 1.00 0.00 O ATOM 291 CG2 THR A 18 -0.629 4.934 -10.068 1.00 0.00 C ATOM 0 H THR A 18 -3.530 4.744 -9.088 1.00 0.00 H new ATOM 0 HA THR A 18 -2.398 7.258 -8.109 1.00 0.00 H new ATOM 0 HB THR A 18 -0.708 5.435 -7.977 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.279 7.384 -8.274 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.419 4.635 -10.069 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.257 4.055 -9.922 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.874 5.400 -11.022 1.00 0.00 H new ATOM 299 N GLU A 19 -2.369 8.136 -10.617 1.00 0.00 N ATOM 300 CA GLU A 19 -2.569 8.712 -11.967 1.00 0.00 C ATOM 301 C GLU A 19 -1.220 8.958 -12.644 1.00 0.00 C ATOM 302 O GLU A 19 -0.375 9.673 -12.104 1.00 0.00 O ATOM 303 CB GLU A 19 -3.412 9.992 -11.881 1.00 0.00 C ATOM 304 CG GLU A 19 -3.745 10.577 -13.251 1.00 0.00 C ATOM 305 CD GLU A 19 -4.677 11.769 -13.090 1.00 0.00 C ATOM 306 OE1 GLU A 19 -4.180 12.880 -12.798 1.00 0.00 O ATOM 307 OE2 GLU A 19 -5.902 11.593 -13.276 1.00 0.00 O ATOM 0 H GLU A 19 -1.866 8.768 -9.994 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.119 8.000 -12.583 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.338 9.776 -11.349 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.874 10.737 -11.295 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.830 10.885 -13.757 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.215 9.818 -13.876 1.00 0.00 H new ATOM 314 N ALA A 20 -0.998 8.323 -13.797 1.00 0.00 N ATOM 315 CA ALA A 20 0.270 8.291 -14.515 1.00 0.00 C ATOM 316 C ALA A 20 0.073 8.503 -16.029 1.00 0.00 C ATOM 317 O ALA A 20 -1.046 8.432 -16.551 1.00 0.00 O ATOM 318 CB ALA A 20 0.938 6.946 -14.227 1.00 0.00 C ATOM 0 H ALA A 20 -1.730 7.796 -14.273 1.00 0.00 H new ATOM 0 HA ALA A 20 0.906 9.108 -14.173 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.891 6.893 -14.753 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.109 6.847 -13.155 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.291 6.138 -14.568 1.00 0.00 H new ATOM 324 N VAL A 21 1.176 8.755 -16.733 1.00 0.00 N ATOM 325 CA VAL A 21 1.132 9.014 -18.190 1.00 0.00 C ATOM 326 C VAL A 21 0.692 7.771 -18.979 1.00 0.00 C ATOM 327 O VAL A 21 -0.096 7.891 -19.923 1.00 0.00 O ATOM 328 CB VAL A 21 2.448 9.612 -18.717 1.00 0.00 C ATOM 329 CG1 VAL A 21 3.634 8.709 -18.400 1.00 0.00 C ATOM 330 CG2 VAL A 21 2.419 9.912 -20.221 1.00 0.00 C ATOM 0 H VAL A 21 2.112 8.787 -16.329 1.00 0.00 H new ATOM 0 HA VAL A 21 0.368 9.774 -18.354 1.00 0.00 H new ATOM 0 HB VAL A 21 2.564 10.563 -18.197 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.548 9.160 -18.786 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.718 8.585 -17.320 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.485 7.735 -18.867 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.377 10.331 -20.527 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.234 8.990 -20.772 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.625 10.628 -20.434 1.00 0.00 H new ATOM 340 N ASP A 22 1.112 6.567 -18.564 1.00 0.00 N ATOM 341 CA ASP A 22 0.745 5.268 -19.143 1.00 0.00 C ATOM 342 C ASP A 22 0.869 4.127 -18.110 1.00 0.00 C ATOM 343 O ASP A 22 1.380 4.309 -16.999 1.00 0.00 O ATOM 344 CB ASP A 22 1.649 4.992 -20.370 1.00 0.00 C ATOM 345 CG ASP A 22 3.175 5.059 -20.116 1.00 0.00 C ATOM 346 OD1 ASP A 22 3.632 4.791 -18.978 1.00 0.00 O ATOM 347 OD2 ASP A 22 3.919 5.377 -21.074 1.00 0.00 O ATOM 0 H ASP A 22 1.750 6.469 -17.774 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.299 5.305 -19.453 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.408 4.003 -20.759 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.398 5.711 -21.150 1.00 0.00 H new ATOM 352 N ALA A 23 0.407 2.942 -18.505 1.00 0.00 N ATOM 353 CA ALA A 23 0.404 1.733 -17.680 1.00 0.00 C ATOM 354 C ALA A 23 1.804 1.345 -17.163 1.00 0.00 C ATOM 355 O ALA A 23 1.928 0.830 -16.058 1.00 0.00 O ATOM 356 CB ALA A 23 -0.219 0.581 -18.478 1.00 0.00 C ATOM 0 H ALA A 23 0.013 2.791 -19.434 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.193 1.943 -16.792 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.224 -0.323 -17.869 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.242 0.840 -18.752 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.366 0.406 -19.381 1.00 0.00 H new ATOM 362 N ALA A 24 2.865 1.624 -17.924 1.00 0.00 N ATOM 363 CA ALA A 24 4.241 1.332 -17.557 1.00 0.00 C ATOM 364 C ALA A 24 4.750 2.297 -16.477 1.00 0.00 C ATOM 365 O ALA A 24 5.445 1.879 -15.555 1.00 0.00 O ATOM 366 CB ALA A 24 5.122 1.380 -18.811 1.00 0.00 C ATOM 0 H ALA A 24 2.782 2.072 -18.837 1.00 0.00 H new ATOM 0 HA ALA A 24 4.288 0.330 -17.130 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.155 1.161 -18.539 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.772 0.640 -19.530 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.067 2.373 -19.257 1.00 0.00 H new ATOM 372 N THR A 25 4.356 3.571 -16.518 1.00 0.00 N ATOM 373 CA THR A 25 4.617 4.545 -15.447 1.00 0.00 C ATOM 374 C THR A 25 3.835 4.218 -14.167 1.00 0.00 C ATOM 375 O THR A 25 4.425 4.180 -13.088 1.00 0.00 O ATOM 376 CB THR A 25 4.318 5.970 -15.921 1.00 0.00 C ATOM 377 OG1 THR A 25 4.984 6.215 -17.141 1.00 0.00 O ATOM 378 CG2 THR A 25 4.801 7.024 -14.918 1.00 0.00 C ATOM 0 H THR A 25 3.840 3.964 -17.305 1.00 0.00 H new ATOM 0 HA THR A 25 5.677 4.478 -15.202 1.00 0.00 H new ATOM 0 HB THR A 25 3.236 6.047 -16.030 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.486 5.799 -17.875 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.568 8.020 -15.296 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.301 6.872 -13.962 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.878 6.930 -14.782 1.00 0.00 H new ATOM 386 N ALA A 26 2.542 3.882 -14.255 1.00 0.00 N ATOM 387 CA ALA A 26 1.780 3.412 -13.086 1.00 0.00 C ATOM 388 C ALA A 26 2.330 2.099 -12.490 1.00 0.00 C ATOM 389 O ALA A 26 2.460 1.980 -11.270 1.00 0.00 O ATOM 390 CB ALA A 26 0.311 3.240 -13.463 1.00 0.00 C ATOM 0 H ALA A 26 2.001 3.926 -15.119 1.00 0.00 H new ATOM 0 HA ALA A 26 1.885 4.173 -12.313 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.249 2.892 -12.595 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.093 4.196 -13.797 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.225 2.509 -14.267 1.00 0.00 H new ATOM 396 N GLU A 27 2.747 1.167 -13.358 1.00 0.00 N ATOM 397 CA GLU A 27 3.479 -0.057 -12.965 1.00 0.00 C ATOM 398 C GLU A 27 4.799 0.296 -12.295 1.00 0.00 C ATOM 399 O GLU A 27 5.133 -0.296 -11.274 1.00 0.00 O ATOM 400 CB GLU A 27 3.746 -1.020 -14.136 1.00 0.00 C ATOM 401 CG GLU A 27 4.220 -2.392 -13.647 1.00 0.00 C ATOM 402 CD GLU A 27 4.724 -3.235 -14.809 1.00 0.00 C ATOM 403 OE1 GLU A 27 3.897 -3.881 -15.488 1.00 0.00 O ATOM 404 OE2 GLU A 27 5.958 -3.266 -15.022 1.00 0.00 O ATOM 0 H GLU A 27 2.587 1.237 -14.363 1.00 0.00 H new ATOM 0 HA GLU A 27 2.826 -0.576 -12.264 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.836 -1.138 -14.724 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.499 -0.589 -14.796 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.015 -2.266 -12.911 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.401 -2.908 -13.146 1.00 0.00 H new ATOM 411 N LYS A 28 5.536 1.293 -12.790 1.00 0.00 N ATOM 412 CA LYS A 28 6.772 1.749 -12.134 1.00 0.00 C ATOM 413 C LYS A 28 6.520 2.383 -10.748 1.00 0.00 C ATOM 414 O LYS A 28 7.231 2.059 -9.797 1.00 0.00 O ATOM 415 CB LYS A 28 7.508 2.703 -13.092 1.00 0.00 C ATOM 416 CG LYS A 28 8.917 3.099 -12.626 1.00 0.00 C ATOM 417 CD LYS A 28 9.563 4.039 -13.659 1.00 0.00 C ATOM 418 CE LYS A 28 10.929 4.581 -13.213 1.00 0.00 C ATOM 419 NZ LYS A 28 11.978 3.539 -13.191 1.00 0.00 N ATOM 0 H LYS A 28 5.302 1.802 -13.642 1.00 0.00 H new ATOM 0 HA LYS A 28 7.402 0.884 -11.929 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.581 2.231 -14.072 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.911 3.607 -13.217 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.864 3.592 -11.655 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.531 2.208 -12.498 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.681 3.505 -14.602 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.891 4.876 -13.849 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.234 5.383 -13.885 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.835 5.017 -12.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.878 3.959 -12.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.704 2.785 -12.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 12.091 3.140 -14.145 1.00 0.00 H new ATOM 433 N VAL A 29 5.510 3.244 -10.575 1.00 0.00 N ATOM 434 CA VAL A 29 5.103 3.771 -9.246 1.00 0.00 C ATOM 435 C VAL A 29 4.714 2.641 -8.285 1.00 0.00 C ATOM 436 O VAL A 29 5.235 2.564 -7.171 1.00 0.00 O ATOM 437 CB VAL A 29 3.937 4.775 -9.385 1.00 0.00 C ATOM 438 CG1 VAL A 29 3.351 5.214 -8.036 1.00 0.00 C ATOM 439 CG2 VAL A 29 4.395 6.045 -10.114 1.00 0.00 C ATOM 0 H VAL A 29 4.945 3.601 -11.346 1.00 0.00 H new ATOM 0 HA VAL A 29 5.965 4.289 -8.827 1.00 0.00 H new ATOM 0 HB VAL A 29 3.170 4.245 -9.949 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.537 5.919 -8.205 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.972 4.342 -7.503 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.128 5.694 -7.441 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.557 6.737 -10.200 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.200 6.518 -9.551 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.754 5.784 -11.110 1.00 0.00 H new ATOM 449 N PHE A 30 3.851 1.722 -8.720 1.00 0.00 N ATOM 450 CA PHE A 30 3.466 0.578 -7.891 1.00 0.00 C ATOM 451 C PHE A 30 4.664 -0.311 -7.505 1.00 0.00 C ATOM 452 O PHE A 30 4.823 -0.675 -6.339 1.00 0.00 O ATOM 453 CB PHE A 30 2.412 -0.275 -8.601 1.00 0.00 C ATOM 454 CG PHE A 30 1.066 0.384 -8.878 1.00 0.00 C ATOM 455 CD1 PHE A 30 0.452 1.232 -7.931 1.00 0.00 C ATOM 456 CD2 PHE A 30 0.412 0.129 -10.101 1.00 0.00 C ATOM 457 CE1 PHE A 30 -0.793 1.822 -8.212 1.00 0.00 C ATOM 458 CE2 PHE A 30 -0.829 0.727 -10.381 1.00 0.00 C ATOM 459 CZ PHE A 30 -1.434 1.566 -9.434 1.00 0.00 C ATOM 0 H PHE A 30 3.407 1.747 -9.638 1.00 0.00 H new ATOM 0 HA PHE A 30 3.052 0.994 -6.973 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.829 -0.608 -9.551 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.236 -1.167 -8.000 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.940 1.428 -6.988 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.867 -0.529 -10.826 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.257 2.473 -7.486 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.317 0.540 -11.326 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.393 2.015 -9.645 1.00 0.00 H new ATOM 469 N LYS A 31 5.551 -0.609 -8.455 1.00 0.00 N ATOM 470 CA LYS A 31 6.772 -1.365 -8.168 1.00 0.00 C ATOM 471 C LYS A 31 7.723 -0.600 -7.236 1.00 0.00 C ATOM 472 O LYS A 31 8.412 -1.231 -6.436 1.00 0.00 O ATOM 473 CB LYS A 31 7.481 -1.787 -9.462 1.00 0.00 C ATOM 474 CG LYS A 31 6.725 -2.942 -10.139 1.00 0.00 C ATOM 475 CD LYS A 31 7.350 -3.359 -11.474 1.00 0.00 C ATOM 476 CE LYS A 31 8.703 -4.053 -11.280 1.00 0.00 C ATOM 477 NZ LYS A 31 9.273 -4.504 -12.565 1.00 0.00 N ATOM 0 H LYS A 31 5.447 -0.338 -9.433 1.00 0.00 H new ATOM 0 HA LYS A 31 6.469 -2.269 -7.640 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.544 -0.938 -10.142 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.503 -2.094 -9.240 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.706 -3.801 -9.468 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.690 -2.645 -10.305 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.670 -4.030 -11.999 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.480 -2.479 -12.104 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.397 -3.368 -10.794 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.582 -4.908 -10.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.188 -4.969 -12.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.621 -5.177 -13.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.412 -3.684 -13.190 1.00 0.00 H new ATOM 491 N GLN A 32 7.739 0.738 -7.245 1.00 0.00 N ATOM 492 CA GLN A 32 8.508 1.546 -6.280 1.00 0.00 C ATOM 493 C GLN A 32 7.952 1.490 -4.843 1.00 0.00 C ATOM 494 O GLN A 32 8.734 1.506 -3.895 1.00 0.00 O ATOM 495 CB GLN A 32 8.564 3.001 -6.784 1.00 0.00 C ATOM 496 CG GLN A 32 9.669 3.202 -7.828 1.00 0.00 C ATOM 497 CD GLN A 32 9.618 4.595 -8.415 1.00 0.00 C ATOM 498 OE1 GLN A 32 10.441 5.452 -8.116 1.00 0.00 O ATOM 499 NE2 GLN A 32 8.649 4.861 -9.263 1.00 0.00 N ATOM 0 H GLN A 32 7.219 1.296 -7.922 1.00 0.00 H new ATOM 0 HA GLN A 32 9.509 1.120 -6.222 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.601 3.272 -7.217 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.734 3.671 -5.941 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.643 3.033 -7.368 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.560 2.465 -8.623 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.970 4.139 -9.504 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.576 5.789 -9.680 1.00 0.00 H new ATOM 508 N TYR A 33 6.630 1.386 -4.662 1.00 0.00 N ATOM 509 CA TYR A 33 5.992 1.135 -3.349 1.00 0.00 C ATOM 510 C TYR A 33 6.004 -0.349 -2.898 1.00 0.00 C ATOM 511 O TYR A 33 5.906 -0.640 -1.706 1.00 0.00 O ATOM 512 CB TYR A 33 4.555 1.682 -3.369 1.00 0.00 C ATOM 513 CG TYR A 33 4.452 3.168 -3.055 1.00 0.00 C ATOM 514 CD1 TYR A 33 4.864 4.137 -3.993 1.00 0.00 C ATOM 515 CD2 TYR A 33 3.928 3.588 -1.816 1.00 0.00 C ATOM 516 CE1 TYR A 33 4.758 5.508 -3.691 1.00 0.00 C ATOM 517 CE2 TYR A 33 3.818 4.959 -1.519 1.00 0.00 C ATOM 518 CZ TYR A 33 4.234 5.918 -2.454 1.00 0.00 C ATOM 519 OH TYR A 33 4.142 7.243 -2.153 1.00 0.00 O ATOM 0 H TYR A 33 5.960 1.473 -5.426 1.00 0.00 H new ATOM 0 HA TYR A 33 6.595 1.660 -2.609 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.121 1.498 -4.352 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.956 1.127 -2.647 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.263 3.826 -4.947 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.609 2.854 -1.091 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.080 6.245 -4.411 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.412 5.274 -0.569 1.00 0.00 H new ATOM 0 HH TYR A 33 3.559 7.362 -1.374 1.00 0.00 H new ATOM 529 N PHE A 34 6.165 -1.266 -3.856 1.00 0.00 N ATOM 530 CA PHE A 34 6.094 -2.730 -3.666 1.00 0.00 C ATOM 531 C PHE A 34 7.374 -3.507 -4.065 1.00 0.00 C ATOM 532 O PHE A 34 7.331 -4.677 -4.450 1.00 0.00 O ATOM 533 CB PHE A 34 4.775 -3.285 -4.235 1.00 0.00 C ATOM 534 CG PHE A 34 3.530 -2.664 -3.610 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.306 -2.777 -2.222 1.00 0.00 C ATOM 536 CD2 PHE A 34 2.607 -1.952 -4.400 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.190 -2.160 -1.628 1.00 0.00 C ATOM 538 CE2 PHE A 34 1.492 -1.333 -3.805 1.00 0.00 C ATOM 539 CZ PHE A 34 1.282 -1.435 -2.419 1.00 0.00 C ATOM 0 H PHE A 34 6.356 -1.007 -4.824 1.00 0.00 H new ATOM 0 HA PHE A 34 6.069 -2.913 -2.592 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.754 -3.115 -5.312 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.749 -4.364 -4.082 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.996 -3.341 -1.611 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.755 -1.881 -5.467 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.031 -2.243 -0.563 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.795 -0.778 -4.415 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.427 -0.958 -1.964 1.00 0.00 H new ATOM 549 N ASN A 35 8.528 -2.853 -3.922 1.00 0.00 N ATOM 550 CA ASN A 35 9.911 -3.335 -4.084 1.00 0.00 C ATOM 551 C ASN A 35 10.376 -4.455 -3.101 1.00 0.00 C ATOM 552 O ASN A 35 11.444 -4.352 -2.490 1.00 0.00 O ATOM 553 CB ASN A 35 10.834 -2.098 -4.056 1.00 0.00 C ATOM 554 CG ASN A 35 10.833 -1.371 -2.716 1.00 0.00 C ATOM 555 OD1 ASN A 35 9.827 -0.825 -2.280 1.00 0.00 O ATOM 556 ND2 ASN A 35 11.956 -1.333 -2.029 1.00 0.00 N ATOM 0 H ASN A 35 8.521 -1.867 -3.662 1.00 0.00 H new ATOM 0 HA ASN A 35 9.965 -3.854 -5.041 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.852 -2.408 -4.292 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.523 -1.404 -4.837 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.989 -0.848 -1.132 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.793 -1.788 -2.394 1.00 0.00 H new ATOM 563 N ASP A 36 9.590 -5.527 -2.936 1.00 0.00 N ATOM 564 CA ASP A 36 9.814 -6.640 -1.987 1.00 0.00 C ATOM 565 C ASP A 36 10.105 -6.190 -0.542 1.00 0.00 C ATOM 566 O ASP A 36 11.163 -6.452 0.037 1.00 0.00 O ATOM 567 CB ASP A 36 10.860 -7.640 -2.522 1.00 0.00 C ATOM 568 CG ASP A 36 11.008 -8.919 -1.659 1.00 0.00 C ATOM 569 OD1 ASP A 36 10.051 -9.297 -0.936 1.00 0.00 O ATOM 570 OD2 ASP A 36 12.086 -9.558 -1.727 1.00 0.00 O ATOM 0 H ASP A 36 8.739 -5.654 -3.484 1.00 0.00 H new ATOM 0 HA ASP A 36 8.862 -7.167 -1.920 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.586 -7.928 -3.537 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.827 -7.141 -2.583 1.00 0.00 H new ATOM 575 N ASN A 37 9.133 -5.482 0.031 1.00 0.00 N ATOM 576 CA ASN A 37 9.130 -5.151 1.464 1.00 0.00 C ATOM 577 C ASN A 37 8.993 -6.441 2.320 1.00 0.00 C ATOM 578 O ASN A 37 9.628 -6.597 3.367 1.00 0.00 O ATOM 579 CB ASN A 37 7.978 -4.167 1.732 1.00 0.00 C ATOM 580 CG ASN A 37 8.012 -2.946 0.820 1.00 0.00 C ATOM 581 OD1 ASN A 37 9.026 -2.276 0.669 1.00 0.00 O ATOM 582 ND2 ASN A 37 6.899 -2.644 0.180 1.00 0.00 N ATOM 0 H ASN A 37 8.326 -5.121 -0.478 1.00 0.00 H new ATOM 0 HA ASN A 37 10.073 -4.682 1.746 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.028 -4.685 1.601 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.022 -3.839 2.771 1.00 0.00 H new ATOM 0 HD21 ASN A 37 6.875 -1.843 -0.451 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.062 -3.212 0.316 1.00 0.00 H new ATOM 589 N GLY A 38 8.166 -7.369 1.823 1.00 0.00 N ATOM 590 CA GLY A 38 7.901 -8.686 2.427 1.00 0.00 C ATOM 591 C GLY A 38 6.771 -9.503 1.793 1.00 0.00 C ATOM 592 O GLY A 38 5.954 -10.059 2.529 1.00 0.00 O ATOM 0 H GLY A 38 7.644 -7.221 0.960 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.817 -9.275 2.382 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.668 -8.539 3.482 1.00 0.00 H new ATOM 596 N VAL A 39 6.670 -9.537 0.459 1.00 0.00 N ATOM 597 CA VAL A 39 5.572 -10.211 -0.273 1.00 0.00 C ATOM 598 C VAL A 39 5.982 -10.697 -1.676 1.00 0.00 C ATOM 599 O VAL A 39 5.825 -11.882 -1.971 1.00 0.00 O ATOM 600 CB VAL A 39 4.318 -9.302 -0.314 1.00 0.00 C ATOM 601 CG1 VAL A 39 4.531 -7.929 -0.973 1.00 0.00 C ATOM 602 CG2 VAL A 39 3.106 -9.964 -0.970 1.00 0.00 C ATOM 0 H VAL A 39 7.352 -9.095 -0.157 1.00 0.00 H new ATOM 0 HA VAL A 39 5.325 -11.117 0.280 1.00 0.00 H new ATOM 0 HB VAL A 39 4.120 -9.140 0.746 1.00 0.00 H new ATOM 0 HG11 VAL A 39 3.597 -7.367 -0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.297 -7.378 -0.427 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.850 -8.067 -2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.265 -9.271 -0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.349 -10.230 -1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.838 -10.864 -0.416 1.00 0.00 H new ATOM 612 N ASP A 40 6.555 -9.816 -2.514 1.00 0.00 N ATOM 613 CA ASP A 40 6.973 -10.044 -3.920 1.00 0.00 C ATOM 614 C ASP A 40 6.115 -11.055 -4.710 1.00 0.00 C ATOM 615 O ASP A 40 6.608 -12.043 -5.262 1.00 0.00 O ATOM 616 CB ASP A 40 8.479 -10.365 -3.980 1.00 0.00 C ATOM 617 CG ASP A 40 9.068 -10.385 -5.411 1.00 0.00 C ATOM 618 OD1 ASP A 40 8.718 -9.502 -6.232 1.00 0.00 O ATOM 619 OD2 ASP A 40 9.919 -11.263 -5.701 1.00 0.00 O ATOM 0 H ASP A 40 6.754 -8.862 -2.214 1.00 0.00 H new ATOM 0 HA ASP A 40 6.788 -9.106 -4.444 1.00 0.00 H new ATOM 0 HB2 ASP A 40 9.020 -9.627 -3.387 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.651 -11.336 -3.515 1.00 0.00 H new ATOM 624 N GLY A 41 4.801 -10.827 -4.711 1.00 0.00 N ATOM 625 CA GLY A 41 3.833 -11.685 -5.397 1.00 0.00 C ATOM 626 C GLY A 41 3.940 -11.671 -6.933 1.00 0.00 C ATOM 627 O GLY A 41 4.607 -10.823 -7.530 1.00 0.00 O ATOM 0 H GLY A 41 4.374 -10.034 -4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.962 -12.709 -5.046 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.827 -11.375 -5.113 1.00 0.00 H new ATOM 631 N GLU A 42 3.240 -12.606 -7.581 1.00 0.00 N ATOM 632 CA GLU A 42 3.019 -12.664 -9.037 1.00 0.00 C ATOM 633 C GLU A 42 2.236 -11.441 -9.517 1.00 0.00 C ATOM 634 O GLU A 42 1.070 -11.263 -9.158 1.00 0.00 O ATOM 635 CB GLU A 42 2.270 -13.958 -9.405 1.00 0.00 C ATOM 636 CG GLU A 42 2.096 -14.130 -10.914 1.00 0.00 C ATOM 637 CD GLU A 42 1.506 -15.501 -11.216 1.00 0.00 C ATOM 638 OE1 GLU A 42 0.263 -15.639 -11.178 1.00 0.00 O ATOM 639 OE2 GLU A 42 2.289 -16.434 -11.503 1.00 0.00 O ATOM 0 H GLU A 42 2.791 -13.378 -7.089 1.00 0.00 H new ATOM 0 HA GLU A 42 3.989 -12.662 -9.534 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.814 -14.814 -9.006 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.290 -13.954 -8.928 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.443 -13.350 -11.305 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.058 -14.020 -11.414 1.00 0.00 H new ATOM 646 N TRP A 43 2.866 -10.611 -10.345 1.00 0.00 N ATOM 647 CA TRP A 43 2.243 -9.408 -10.906 1.00 0.00 C ATOM 648 C TRP A 43 1.341 -9.777 -12.100 1.00 0.00 C ATOM 649 O TRP A 43 1.678 -10.625 -12.932 1.00 0.00 O ATOM 650 CB TRP A 43 3.328 -8.399 -11.319 1.00 0.00 C ATOM 651 CG TRP A 43 4.038 -7.722 -10.181 1.00 0.00 C ATOM 652 CD1 TRP A 43 5.008 -8.273 -9.416 1.00 0.00 C ATOM 653 CD2 TRP A 43 3.844 -6.371 -9.649 1.00 0.00 C ATOM 654 NE1 TRP A 43 5.404 -7.382 -8.439 1.00 0.00 N ATOM 655 CE2 TRP A 43 4.713 -6.194 -8.530 1.00 0.00 C ATOM 656 CE3 TRP A 43 3.016 -5.278 -9.995 1.00 0.00 C ATOM 657 CZ2 TRP A 43 4.748 -5.008 -7.781 1.00 0.00 C ATOM 658 CZ3 TRP A 43 3.053 -4.078 -9.259 1.00 0.00 C ATOM 659 CH2 TRP A 43 3.909 -3.944 -8.151 1.00 0.00 C ATOM 0 H TRP A 43 3.829 -10.752 -10.649 1.00 0.00 H new ATOM 0 HA TRP A 43 1.616 -8.943 -10.146 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.067 -8.915 -11.932 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.871 -7.635 -11.947 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.413 -9.265 -9.550 1.00 0.00 H new ATOM 0 HE1 TRP A 43 6.118 -7.579 -7.738 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.345 -5.365 -10.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 5.410 -4.915 -6.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 2.418 -3.253 -9.548 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.921 -3.024 -7.585 1.00 0.00 H new ATOM 670 N THR A 44 0.161 -9.162 -12.147 1.00 0.00 N ATOM 671 CA THR A 44 -0.904 -9.380 -13.147 1.00 0.00 C ATOM 672 C THR A 44 -1.522 -8.028 -13.545 1.00 0.00 C ATOM 673 O THR A 44 -1.530 -7.106 -12.724 1.00 0.00 O ATOM 674 CB THR A 44 -2.000 -10.303 -12.569 1.00 0.00 C ATOM 675 OG1 THR A 44 -1.453 -11.433 -11.920 1.00 0.00 O ATOM 676 CG2 THR A 44 -2.979 -10.829 -13.621 1.00 0.00 C ATOM 0 H THR A 44 -0.100 -8.459 -11.456 1.00 0.00 H new ATOM 0 HA THR A 44 -0.471 -9.856 -14.027 1.00 0.00 H new ATOM 0 HB THR A 44 -2.534 -9.665 -11.865 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.178 -11.990 -11.567 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.719 -11.469 -13.141 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.482 -9.990 -14.102 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.434 -11.403 -14.370 1.00 0.00 H new ATOM 684 N TYR A 45 -2.065 -7.889 -14.761 1.00 0.00 N ATOM 685 CA TYR A 45 -2.700 -6.650 -15.248 1.00 0.00 C ATOM 686 C TYR A 45 -3.927 -6.891 -16.153 1.00 0.00 C ATOM 687 O TYR A 45 -3.925 -7.782 -17.010 1.00 0.00 O ATOM 688 CB TYR A 45 -1.655 -5.820 -16.008 1.00 0.00 C ATOM 689 CG TYR A 45 -2.209 -4.578 -16.688 1.00 0.00 C ATOM 690 CD1 TYR A 45 -2.661 -3.490 -15.918 1.00 0.00 C ATOM 691 CD2 TYR A 45 -2.303 -4.520 -18.093 1.00 0.00 C ATOM 692 CE1 TYR A 45 -3.178 -2.342 -16.545 1.00 0.00 C ATOM 693 CE2 TYR A 45 -2.825 -3.373 -18.720 1.00 0.00 C ATOM 694 CZ TYR A 45 -3.255 -2.283 -17.945 1.00 0.00 C ATOM 695 OH TYR A 45 -3.737 -1.165 -18.553 1.00 0.00 O ATOM 0 H TYR A 45 -2.078 -8.643 -15.447 1.00 0.00 H new ATOM 0 HA TYR A 45 -3.069 -6.118 -14.371 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -0.872 -5.519 -15.312 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -1.185 -6.452 -16.761 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.611 -3.537 -14.840 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.974 -5.358 -18.690 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.515 -1.507 -15.950 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.895 -3.331 -19.797 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.722 -1.289 -19.525 1.00 0.00 H new ATOM 705 N ASP A 46 -4.958 -6.061 -15.971 1.00 0.00 N ATOM 706 CA ASP A 46 -6.207 -5.973 -16.740 1.00 0.00 C ATOM 707 C ASP A 46 -6.376 -4.612 -17.422 1.00 0.00 C ATOM 708 O ASP A 46 -6.442 -3.571 -16.759 1.00 0.00 O ATOM 709 CB ASP A 46 -7.383 -6.197 -15.779 1.00 0.00 C ATOM 710 CG ASP A 46 -8.736 -6.196 -16.497 1.00 0.00 C ATOM 711 OD1 ASP A 46 -9.260 -5.081 -16.705 1.00 0.00 O ATOM 712 OD2 ASP A 46 -9.259 -7.285 -16.835 1.00 0.00 O ATOM 0 H ASP A 46 -4.941 -5.374 -15.218 1.00 0.00 H new ATOM 0 HA ASP A 46 -6.178 -6.732 -17.522 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.250 -7.148 -15.263 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.379 -5.417 -15.017 1.00 0.00 H new ATOM 717 N ASP A 47 -6.493 -4.614 -18.749 1.00 0.00 N ATOM 718 CA ASP A 47 -6.615 -3.434 -19.607 1.00 0.00 C ATOM 719 C ASP A 47 -8.041 -2.877 -19.686 1.00 0.00 C ATOM 720 O ASP A 47 -8.231 -1.668 -19.804 1.00 0.00 O ATOM 721 CB ASP A 47 -6.126 -3.857 -21.008 1.00 0.00 C ATOM 722 CG ASP A 47 -7.026 -4.894 -21.721 1.00 0.00 C ATOM 723 OD1 ASP A 47 -7.073 -6.063 -21.267 1.00 0.00 O ATOM 724 OD2 ASP A 47 -7.693 -4.533 -22.719 1.00 0.00 O ATOM 0 H ASP A 47 -6.506 -5.483 -19.283 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.017 -2.626 -19.186 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.051 -2.969 -21.635 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.121 -4.269 -20.918 1.00 0.00 H new ATOM 729 N ALA A 48 -9.040 -3.750 -19.579 1.00 0.00 N ATOM 730 CA ALA A 48 -10.462 -3.374 -19.602 1.00 0.00 C ATOM 731 C ALA A 48 -10.828 -2.379 -18.484 1.00 0.00 C ATOM 732 O ALA A 48 -11.763 -1.584 -18.614 1.00 0.00 O ATOM 733 CB ALA A 48 -11.325 -4.630 -19.462 1.00 0.00 C ATOM 0 H ALA A 48 -8.889 -4.753 -19.472 1.00 0.00 H new ATOM 0 HA ALA A 48 -10.651 -2.881 -20.556 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -12.379 -4.351 -19.479 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.116 -5.309 -20.289 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.096 -5.125 -18.519 1.00 0.00 H new ATOM 739 N THR A 49 -10.066 -2.434 -17.391 1.00 0.00 N ATOM 740 CA THR A 49 -10.327 -1.725 -16.137 1.00 0.00 C ATOM 741 C THR A 49 -9.124 -0.914 -15.623 1.00 0.00 C ATOM 742 O THR A 49 -9.269 -0.149 -14.668 1.00 0.00 O ATOM 743 CB THR A 49 -10.796 -2.721 -15.063 1.00 0.00 C ATOM 744 OG1 THR A 49 -9.733 -3.540 -14.633 1.00 0.00 O ATOM 745 CG2 THR A 49 -11.925 -3.641 -15.535 1.00 0.00 C ATOM 0 H THR A 49 -9.216 -2.996 -17.353 1.00 0.00 H new ATOM 0 HA THR A 49 -11.113 -0.999 -16.348 1.00 0.00 H new ATOM 0 HB THR A 49 -11.170 -2.100 -14.249 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.642 -4.304 -15.240 1.00 0.00 H new ATOM 0 HG21 THR A 49 -12.205 -4.317 -14.727 1.00 0.00 H new ATOM 0 HG22 THR A 49 -12.788 -3.040 -15.822 1.00 0.00 H new ATOM 0 HG23 THR A 49 -11.586 -4.222 -16.393 1.00 0.00 H new ATOM 753 N LYS A 50 -7.951 -1.028 -16.267 1.00 0.00 N ATOM 754 CA LYS A 50 -6.702 -0.356 -15.876 1.00 0.00 C ATOM 755 C LYS A 50 -6.254 -0.752 -14.454 1.00 0.00 C ATOM 756 O LYS A 50 -5.880 0.087 -13.627 1.00 0.00 O ATOM 757 CB LYS A 50 -6.782 1.166 -16.125 1.00 0.00 C ATOM 758 CG LYS A 50 -7.242 1.573 -17.536 1.00 0.00 C ATOM 759 CD LYS A 50 -6.434 0.888 -18.650 1.00 0.00 C ATOM 760 CE LYS A 50 -6.747 1.433 -20.050 1.00 0.00 C ATOM 761 NZ LYS A 50 -8.111 1.081 -20.499 1.00 0.00 N ATOM 0 H LYS A 50 -7.843 -1.608 -17.099 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.902 -0.713 -16.525 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.466 1.602 -15.397 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.800 1.601 -15.940 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.297 1.325 -17.654 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.155 2.654 -17.643 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.370 1.014 -18.448 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.637 -0.183 -18.631 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -6.636 2.517 -20.048 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.020 1.040 -20.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.196 1.257 -21.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.292 0.075 -20.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.806 1.663 -19.988 1.00 0.00 H new ATOM 775 N THR A 51 -6.312 -2.056 -14.173 1.00 0.00 N ATOM 776 CA THR A 51 -6.085 -2.600 -12.819 1.00 0.00 C ATOM 777 C THR A 51 -4.940 -3.616 -12.794 1.00 0.00 C ATOM 778 O THR A 51 -4.852 -4.503 -13.639 1.00 0.00 O ATOM 779 CB THR A 51 -7.354 -3.259 -12.244 1.00 0.00 C ATOM 780 OG1 THR A 51 -8.485 -2.429 -12.366 1.00 0.00 O ATOM 781 CG2 THR A 51 -7.227 -3.619 -10.759 1.00 0.00 C ATOM 0 H THR A 51 -6.517 -2.769 -14.873 1.00 0.00 H new ATOM 0 HA THR A 51 -5.815 -1.747 -12.197 1.00 0.00 H new ATOM 0 HB THR A 51 -7.474 -4.167 -12.835 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.018 -2.714 -13.138 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.154 -4.079 -10.416 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.402 -4.319 -10.624 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.035 -2.715 -10.181 1.00 0.00 H new ATOM 789 N PHE A 52 -4.087 -3.514 -11.781 1.00 0.00 N ATOM 790 CA PHE A 52 -2.978 -4.406 -11.460 1.00 0.00 C ATOM 791 C PHE A 52 -3.315 -5.241 -10.213 1.00 0.00 C ATOM 792 O PHE A 52 -4.004 -4.779 -9.302 1.00 0.00 O ATOM 793 CB PHE A 52 -1.692 -3.602 -11.228 1.00 0.00 C ATOM 794 CG PHE A 52 -1.108 -2.955 -12.470 1.00 0.00 C ATOM 795 CD1 PHE A 52 -1.565 -1.693 -12.898 1.00 0.00 C ATOM 796 CD2 PHE A 52 -0.094 -3.611 -13.193 1.00 0.00 C ATOM 797 CE1 PHE A 52 -0.999 -1.081 -14.031 1.00 0.00 C ATOM 798 CE2 PHE A 52 0.461 -3.006 -14.334 1.00 0.00 C ATOM 799 CZ PHE A 52 0.010 -1.742 -14.751 1.00 0.00 C ATOM 0 H PHE A 52 -4.158 -2.747 -11.112 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.818 -5.079 -12.302 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.896 -2.824 -10.493 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.942 -4.263 -10.794 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.353 -1.193 -12.354 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.258 -4.580 -12.871 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.339 -0.106 -14.346 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.235 -3.513 -14.891 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.440 -1.278 -15.626 1.00 0.00 H new ATOM 809 N THR A 53 -2.843 -6.482 -10.176 1.00 0.00 N ATOM 810 CA THR A 53 -2.987 -7.383 -9.019 1.00 0.00 C ATOM 811 C THR A 53 -1.631 -7.990 -8.637 1.00 0.00 C ATOM 812 O THR A 53 -0.789 -8.240 -9.503 1.00 0.00 O ATOM 813 CB THR A 53 -4.027 -8.487 -9.307 1.00 0.00 C ATOM 814 OG1 THR A 53 -5.256 -7.925 -9.716 1.00 0.00 O ATOM 815 CG2 THR A 53 -4.339 -9.377 -8.102 1.00 0.00 C ATOM 0 H THR A 53 -2.341 -6.905 -10.957 1.00 0.00 H new ATOM 0 HA THR A 53 -3.348 -6.798 -8.173 1.00 0.00 H new ATOM 0 HB THR A 53 -3.570 -9.094 -10.088 1.00 0.00 H new ATOM 0 HG1 THR A 53 -5.900 -8.642 -9.895 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.078 -10.127 -8.385 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.427 -9.873 -7.770 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.735 -8.766 -7.291 1.00 0.00 H new ATOM 823 N VAL A 54 -1.424 -8.218 -7.338 1.00 0.00 N ATOM 824 CA VAL A 54 -0.231 -8.852 -6.744 1.00 0.00 C ATOM 825 C VAL A 54 -0.680 -9.918 -5.733 1.00 0.00 C ATOM 826 O VAL A 54 -1.437 -9.619 -4.809 1.00 0.00 O ATOM 827 CB VAL A 54 0.707 -7.811 -6.092 1.00 0.00 C ATOM 828 CG1 VAL A 54 1.989 -8.472 -5.570 1.00 0.00 C ATOM 829 CG2 VAL A 54 1.136 -6.734 -7.098 1.00 0.00 C ATOM 0 H VAL A 54 -2.113 -7.955 -6.633 1.00 0.00 H new ATOM 0 HA VAL A 54 0.346 -9.330 -7.536 1.00 0.00 H new ATOM 0 HB VAL A 54 0.143 -7.364 -5.274 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.630 -7.716 -5.117 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.733 -9.225 -4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.517 -8.946 -6.397 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.795 -6.018 -6.606 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.664 -7.202 -7.929 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.254 -6.216 -7.474 1.00 0.00 H new ATOM 839 N THR A 55 -0.244 -11.155 -5.969 1.00 0.00 N ATOM 840 CA THR A 55 -0.617 -12.353 -5.173 1.00 0.00 C ATOM 841 C THR A 55 0.576 -13.258 -4.825 1.00 0.00 C ATOM 842 O THR A 55 1.415 -13.491 -5.696 1.00 0.00 O ATOM 843 CB THR A 55 -1.749 -13.127 -5.882 1.00 0.00 C ATOM 844 OG1 THR A 55 -2.868 -12.293 -6.101 1.00 0.00 O ATOM 845 CG2 THR A 55 -2.267 -14.331 -5.096 1.00 0.00 C ATOM 0 H THR A 55 0.394 -11.371 -6.735 1.00 0.00 H new ATOM 0 HA THR A 55 -0.985 -11.998 -4.210 1.00 0.00 H new ATOM 0 HB THR A 55 -1.297 -13.472 -6.812 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.573 -12.803 -6.552 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.060 -14.821 -5.661 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.452 -15.035 -4.930 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.659 -13.997 -4.135 1.00 0.00 H new ATOM 853 N GLU A 56 0.674 -13.811 -3.602 1.00 0.00 N ATOM 854 CA GLU A 56 1.702 -14.821 -3.250 1.00 0.00 C ATOM 855 C GLU A 56 1.305 -16.220 -3.730 1.00 0.00 C ATOM 856 O GLU A 56 2.134 -16.866 -4.404 1.00 0.00 O ATOM 857 CB GLU A 56 1.970 -14.876 -1.738 1.00 0.00 C ATOM 858 CG GLU A 56 2.781 -13.676 -1.250 1.00 0.00 C ATOM 859 CD GLU A 56 3.167 -13.864 0.209 1.00 0.00 C ATOM 860 OE1 GLU A 56 4.078 -14.677 0.487 1.00 0.00 O ATOM 861 OE2 GLU A 56 2.550 -13.204 1.071 1.00 0.00 O ATOM 862 OXT GLU A 56 0.178 -16.664 -3.419 1.00 0.00 O ATOM 0 H GLU A 56 0.049 -13.575 -2.831 1.00 0.00 H new ATOM 0 HA GLU A 56 2.614 -14.506 -3.758 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.021 -14.912 -1.204 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.505 -15.795 -1.499 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.677 -13.561 -1.859 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.198 -12.762 -1.365 1.00 0.00 H new TER 869 GLU A 56 ATOM 870 N MET B 1 -4.157 -9.318 17.000 1.00 0.00 N ATOM 871 CA MET B 1 -5.213 -8.314 16.707 1.00 0.00 C ATOM 872 C MET B 1 -5.024 -7.731 15.310 1.00 0.00 C ATOM 873 O MET B 1 -3.890 -7.567 14.861 1.00 0.00 O ATOM 874 CB MET B 1 -5.241 -7.221 17.796 1.00 0.00 C ATOM 875 CG MET B 1 -6.338 -6.164 17.605 1.00 0.00 C ATOM 876 SD MET B 1 -8.021 -6.833 17.451 1.00 0.00 S ATOM 877 CE MET B 1 -8.943 -5.295 17.187 1.00 0.00 C ATOM 0 H1 MET B 1 -4.239 -9.630 17.989 1.00 0.00 H new ATOM 0 H2 MET B 1 -4.271 -10.136 16.368 1.00 0.00 H new ATOM 0 H3 MET B 1 -3.221 -8.891 16.848 1.00 0.00 H new ATOM 0 HA MET B 1 -6.185 -8.808 16.722 1.00 0.00 H new ATOM 0 HB2 MET B 1 -5.377 -7.696 18.767 1.00 0.00 H new ATOM 0 HB3 MET B 1 -4.272 -6.722 17.818 1.00 0.00 H new ATOM 0 HG2 MET B 1 -6.311 -5.476 18.450 1.00 0.00 H new ATOM 0 HG3 MET B 1 -6.110 -5.581 16.712 1.00 0.00 H new ATOM 0 HE1 MET B 1 -9.992 -5.527 17.001 1.00 0.00 H new ATOM 0 HE2 MET B 1 -8.862 -4.666 18.073 1.00 0.00 H new ATOM 0 HE3 MET B 1 -8.530 -4.766 16.328 1.00 0.00 H new ATOM 889 N GLN B 2 -6.124 -7.440 14.608 1.00 0.00 N ATOM 890 CA GLN B 2 -6.112 -6.773 13.294 1.00 0.00 C ATOM 891 C GLN B 2 -5.869 -5.254 13.429 1.00 0.00 C ATOM 892 O GLN B 2 -6.536 -4.579 14.215 1.00 0.00 O ATOM 893 CB GLN B 2 -7.454 -7.007 12.570 1.00 0.00 C ATOM 894 CG GLN B 2 -7.374 -6.751 11.054 1.00 0.00 C ATOM 895 CD GLN B 2 -7.088 -8.021 10.284 1.00 0.00 C ATOM 896 OE1 GLN B 2 -7.990 -8.763 9.914 1.00 0.00 O ATOM 897 NE2 GLN B 2 -5.837 -8.310 10.016 1.00 0.00 N ATOM 0 H GLN B 2 -7.063 -7.663 14.938 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.294 -7.203 12.716 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -7.779 -8.033 12.743 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -8.212 -6.355 13.003 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -8.314 -6.320 10.708 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -6.593 -6.018 10.850 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -5.092 -7.687 10.327 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -5.609 -9.158 9.496 1.00 0.00 H new ATOM 906 N TYR B 3 -4.955 -4.723 12.620 1.00 0.00 N ATOM 907 CA TYR B 3 -4.658 -3.290 12.472 1.00 0.00 C ATOM 908 C TYR B 3 -4.779 -2.834 11.006 1.00 0.00 C ATOM 909 O TYR B 3 -4.650 -3.642 10.083 1.00 0.00 O ATOM 910 CB TYR B 3 -3.256 -2.998 13.019 1.00 0.00 C ATOM 911 CG TYR B 3 -3.097 -3.236 14.511 1.00 0.00 C ATOM 912 CD1 TYR B 3 -2.776 -4.519 14.994 1.00 0.00 C ATOM 913 CD2 TYR B 3 -3.251 -2.171 15.419 1.00 0.00 C ATOM 914 CE1 TYR B 3 -2.635 -4.743 16.376 1.00 0.00 C ATOM 915 CE2 TYR B 3 -3.104 -2.396 16.799 1.00 0.00 C ATOM 916 CZ TYR B 3 -2.814 -3.683 17.278 1.00 0.00 C ATOM 917 OH TYR B 3 -2.717 -3.898 18.619 1.00 0.00 O ATOM 0 H TYR B 3 -4.370 -5.304 12.019 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.393 -2.725 13.045 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -2.536 -3.619 12.487 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.004 -1.960 12.801 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -2.637 -5.335 14.300 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -3.482 -1.181 15.055 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -2.389 -5.729 16.742 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -3.215 -1.576 17.493 1.00 0.00 H new ATOM 0 HH TYR B 3 -2.868 -3.056 19.097 1.00 0.00 H new ATOM 927 N LYS B 4 -4.996 -1.536 10.782 1.00 0.00 N ATOM 928 CA LYS B 4 -5.280 -0.948 9.462 1.00 0.00 C ATOM 929 C LYS B 4 -4.476 0.350 9.213 1.00 0.00 C ATOM 930 O LYS B 4 -4.171 1.078 10.157 1.00 0.00 O ATOM 931 CB LYS B 4 -6.801 -0.714 9.383 1.00 0.00 C ATOM 932 CG LYS B 4 -7.281 -0.256 7.999 1.00 0.00 C ATOM 933 CD LYS B 4 -8.793 -0.014 7.961 1.00 0.00 C ATOM 934 CE LYS B 4 -9.147 0.504 6.565 1.00 0.00 C ATOM 935 NZ LYS B 4 -10.573 0.856 6.433 1.00 0.00 N ATOM 0 H LYS B 4 -4.980 -0.843 11.530 1.00 0.00 H new ATOM 0 HA LYS B 4 -4.963 -1.630 8.673 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -7.316 -1.636 9.650 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -7.084 0.035 10.123 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -6.761 0.661 7.721 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -7.017 -1.010 7.257 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -9.333 -0.936 8.175 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -9.084 0.710 8.722 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -8.539 1.380 6.342 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -8.895 -0.256 5.825 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -10.717 1.400 5.558 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -11.143 -0.013 6.398 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -10.866 1.430 7.249 1.00 0.00 H new ATOM 949 N LEU B 5 -4.187 0.663 7.947 1.00 0.00 N ATOM 950 CA LEU B 5 -3.449 1.842 7.471 1.00 0.00 C ATOM 951 C LEU B 5 -4.225 2.555 6.349 1.00 0.00 C ATOM 952 O LEU B 5 -4.636 1.921 5.377 1.00 0.00 O ATOM 953 CB LEU B 5 -2.067 1.362 6.985 1.00 0.00 C ATOM 954 CG LEU B 5 -0.994 2.388 6.568 1.00 0.00 C ATOM 955 CD1 LEU B 5 -1.204 2.968 5.171 1.00 0.00 C ATOM 956 CD2 LEU B 5 -0.833 3.535 7.563 1.00 0.00 C ATOM 0 H LEU B 5 -4.480 0.063 7.176 1.00 0.00 H new ATOM 0 HA LEU B 5 -3.327 2.568 8.275 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -1.639 0.751 7.780 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.234 0.704 6.132 1.00 0.00 H new ATOM 0 HG LEU B 5 -0.076 1.801 6.559 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -0.410 3.681 4.950 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -1.184 2.163 4.436 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.168 3.474 5.128 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -0.063 4.219 7.208 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -1.778 4.070 7.658 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.543 3.136 8.535 1.00 0.00 H new ATOM 968 N ILE B 6 -4.386 3.874 6.460 1.00 0.00 N ATOM 969 CA ILE B 6 -4.982 4.760 5.444 1.00 0.00 C ATOM 970 C ILE B 6 -3.870 5.626 4.836 1.00 0.00 C ATOM 971 O ILE B 6 -3.276 6.451 5.537 1.00 0.00 O ATOM 972 CB ILE B 6 -6.085 5.650 6.070 1.00 0.00 C ATOM 973 CG1 ILE B 6 -7.104 4.802 6.862 1.00 0.00 C ATOM 974 CG2 ILE B 6 -6.756 6.504 4.973 1.00 0.00 C ATOM 975 CD1 ILE B 6 -8.246 5.598 7.508 1.00 0.00 C ATOM 0 H ILE B 6 -4.094 4.382 7.295 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.449 4.159 4.664 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.628 6.331 6.788 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -7.534 4.058 6.192 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -6.573 4.258 7.643 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -7.530 7.127 5.420 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -6.008 7.139 4.498 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -7.204 5.849 4.225 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -8.909 4.916 8.041 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -7.833 6.324 8.208 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -8.809 6.120 6.734 1.00 0.00 H new ATOM 987 N LEU B 7 -3.537 5.445 3.557 1.00 0.00 N ATOM 988 CA LEU B 7 -2.497 6.161 2.823 1.00 0.00 C ATOM 989 C LEU B 7 -3.106 7.371 2.083 1.00 0.00 C ATOM 990 O LEU B 7 -3.968 7.202 1.213 1.00 0.00 O ATOM 991 CB LEU B 7 -1.898 5.150 1.819 1.00 0.00 C ATOM 992 CG LEU B 7 -0.907 5.746 0.804 1.00 0.00 C ATOM 993 CD1 LEU B 7 0.416 6.110 1.459 1.00 0.00 C ATOM 994 CD2 LEU B 7 -0.627 4.753 -0.318 1.00 0.00 C ATOM 0 H LEU B 7 -4.013 4.756 2.975 1.00 0.00 H new ATOM 0 HA LEU B 7 -1.728 6.546 3.493 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -1.392 4.363 2.378 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -2.714 4.678 1.272 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.370 6.648 0.404 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.090 6.528 0.711 1.00 0.00 H new ATOM 0 HD12 LEU B 7 0.243 6.847 2.243 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.865 5.217 1.893 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.076 5.192 -1.026 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.199 3.842 0.101 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -1.558 4.513 -0.832 1.00 0.00 H new ATOM 1006 N ASN B 8 -2.639 8.574 2.408 1.00 0.00 N ATOM 1007 CA ASN B 8 -2.959 9.797 1.672 1.00 0.00 C ATOM 1008 C ASN B 8 -1.677 10.420 1.081 1.00 0.00 C ATOM 1009 O ASN B 8 -0.617 10.440 1.712 1.00 0.00 O ATOM 1010 CB ASN B 8 -3.688 10.806 2.571 1.00 0.00 C ATOM 1011 CG ASN B 8 -4.765 10.215 3.459 1.00 0.00 C ATOM 1012 OD1 ASN B 8 -5.939 10.150 3.114 1.00 0.00 O ATOM 1013 ND2 ASN B 8 -4.377 9.814 4.648 1.00 0.00 N ATOM 0 H ASN B 8 -2.018 8.730 3.202 1.00 0.00 H new ATOM 0 HA ASN B 8 -3.627 9.536 0.852 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -2.952 11.305 3.202 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -4.139 11.572 1.940 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -5.059 9.438 5.307 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -3.394 9.878 4.912 1.00 0.00 H new ATOM 1020 N GLY B 9 -1.789 10.950 -0.133 1.00 0.00 N ATOM 1021 CA GLY B 9 -0.674 11.523 -0.895 1.00 0.00 C ATOM 1022 C GLY B 9 -1.051 11.954 -2.316 1.00 0.00 C ATOM 1023 O GLY B 9 -2.220 11.907 -2.706 1.00 0.00 O ATOM 0 H GLY B 9 -2.678 10.996 -0.631 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.283 12.386 -0.356 1.00 0.00 H new ATOM 0 HA3 GLY B 9 0.131 10.790 -0.949 1.00 0.00 H new ATOM 1027 N LYS B 10 -0.053 12.376 -3.088 1.00 0.00 N ATOM 1028 CA LYS B 10 -0.188 12.852 -4.473 1.00 0.00 C ATOM 1029 C LYS B 10 0.387 11.847 -5.492 1.00 0.00 C ATOM 1030 O LYS B 10 -0.176 11.671 -6.574 1.00 0.00 O ATOM 1031 CB LYS B 10 0.506 14.218 -4.613 1.00 0.00 C ATOM 1032 CG LYS B 10 -0.113 15.297 -3.706 1.00 0.00 C ATOM 1033 CD LYS B 10 0.563 16.657 -3.921 1.00 0.00 C ATOM 1034 CE LYS B 10 -0.050 17.704 -2.985 1.00 0.00 C ATOM 1035 NZ LYS B 10 0.571 19.032 -3.163 1.00 0.00 N ATOM 0 H LYS B 10 0.912 12.399 -2.758 1.00 0.00 H new ATOM 0 HA LYS B 10 -1.251 12.953 -4.694 1.00 0.00 H new ATOM 0 HB2 LYS B 10 1.563 14.110 -4.372 1.00 0.00 H new ATOM 0 HB3 LYS B 10 0.448 14.545 -5.651 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -1.180 15.381 -3.913 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -0.013 14.999 -2.662 1.00 0.00 H new ATOM 0 HD2 LYS B 10 1.634 16.573 -3.734 1.00 0.00 H new ATOM 0 HD3 LYS B 10 0.444 16.971 -4.958 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -1.121 17.776 -3.173 1.00 0.00 H new ATOM 0 HE3 LYS B 10 0.071 17.382 -1.951 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 0.129 19.712 -2.512 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 1.589 18.969 -2.959 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 0.433 19.351 -4.143 1.00 0.00 H new ATOM 1049 N THR B 11 1.462 11.137 -5.137 1.00 0.00 N ATOM 1050 CA THR B 11 1.999 10.010 -5.926 1.00 0.00 C ATOM 1051 C THR B 11 1.085 8.773 -5.840 1.00 0.00 C ATOM 1052 O THR B 11 0.794 8.133 -6.853 1.00 0.00 O ATOM 1053 CB THR B 11 3.414 9.635 -5.437 1.00 0.00 C ATOM 1054 OG1 THR B 11 4.259 10.767 -5.455 1.00 0.00 O ATOM 1055 CG2 THR B 11 4.090 8.553 -6.279 1.00 0.00 C ATOM 0 H THR B 11 1.993 11.325 -4.287 1.00 0.00 H new ATOM 0 HA THR B 11 2.045 10.334 -6.966 1.00 0.00 H new ATOM 0 HB THR B 11 3.272 9.249 -4.427 1.00 0.00 H new ATOM 0 HG1 THR B 11 5.152 10.514 -5.141 1.00 0.00 H new ATOM 0 HG21 THR B 11 5.080 8.343 -5.875 1.00 0.00 H new ATOM 0 HG22 THR B 11 3.488 7.645 -6.255 1.00 0.00 H new ATOM 0 HG23 THR B 11 4.184 8.899 -7.308 1.00 0.00 H new ATOM 1063 N LEU B 12 0.598 8.453 -4.635 1.00 0.00 N ATOM 1064 CA LEU B 12 -0.243 7.278 -4.365 1.00 0.00 C ATOM 1065 C LEU B 12 -1.284 7.533 -3.252 1.00 0.00 C ATOM 1066 O LEU B 12 -1.004 8.234 -2.275 1.00 0.00 O ATOM 1067 CB LEU B 12 0.701 6.107 -4.004 1.00 0.00 C ATOM 1068 CG LEU B 12 0.053 4.710 -4.044 1.00 0.00 C ATOM 1069 CD1 LEU B 12 -0.281 4.284 -5.468 1.00 0.00 C ATOM 1070 CD2 LEU B 12 1.002 3.650 -3.495 1.00 0.00 C ATOM 0 H LEU B 12 0.781 9.014 -3.803 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.829 7.039 -5.252 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.547 6.118 -4.691 1.00 0.00 H new ATOM 0 HB3 LEU B 12 1.100 6.277 -3.004 1.00 0.00 H new ATOM 0 HG LEU B 12 -0.852 4.785 -3.441 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -0.736 3.294 -5.454 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -0.978 4.998 -5.907 1.00 0.00 H new ATOM 0 HD13 LEU B 12 0.632 4.255 -6.063 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.519 2.674 -3.535 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.912 3.630 -4.095 1.00 0.00 H new ATOM 0 HD23 LEU B 12 1.255 3.888 -2.462 1.00 0.00 H new ATOM 1082 N LYS B 13 -2.463 6.917 -3.377 1.00 0.00 N ATOM 1083 CA LYS B 13 -3.502 6.859 -2.332 1.00 0.00 C ATOM 1084 C LYS B 13 -3.993 5.413 -2.139 1.00 0.00 C ATOM 1085 O LYS B 13 -3.928 4.617 -3.076 1.00 0.00 O ATOM 1086 CB LYS B 13 -4.691 7.758 -2.715 1.00 0.00 C ATOM 1087 CG LYS B 13 -4.342 9.251 -2.793 1.00 0.00 C ATOM 1088 CD LYS B 13 -5.596 10.074 -3.124 1.00 0.00 C ATOM 1089 CE LYS B 13 -5.256 11.564 -3.232 1.00 0.00 C ATOM 1090 NZ LYS B 13 -6.445 12.377 -3.563 1.00 0.00 N ATOM 0 H LYS B 13 -2.734 6.429 -4.231 1.00 0.00 H new ATOM 0 HA LYS B 13 -3.067 7.214 -1.398 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -5.082 7.435 -3.680 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -5.489 7.619 -1.985 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -3.920 9.583 -1.844 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -3.580 9.414 -3.555 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -6.028 9.726 -4.062 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -6.350 9.923 -2.351 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -4.831 11.909 -2.289 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -4.493 11.708 -3.997 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -6.174 13.379 -3.627 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -6.836 12.065 -4.475 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -7.163 12.260 -2.820 1.00 0.00 H new ATOM 1104 N GLY B 14 -4.490 5.044 -0.953 1.00 0.00 N ATOM 1105 CA GLY B 14 -4.958 3.670 -0.696 1.00 0.00 C ATOM 1106 C GLY B 14 -5.291 3.321 0.759 1.00 0.00 C ATOM 1107 O GLY B 14 -5.278 4.177 1.645 1.00 0.00 O ATOM 0 H GLY B 14 -4.580 5.673 -0.155 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -5.847 3.494 -1.301 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -4.192 2.978 -1.046 1.00 0.00 H new ATOM 1111 N GLU B 15 -5.569 2.036 1.001 1.00 0.00 N ATOM 1112 CA GLU B 15 -5.866 1.431 2.319 1.00 0.00 C ATOM 1113 C GLU B 15 -5.301 0.013 2.420 1.00 0.00 C ATOM 1114 O GLU B 15 -5.462 -0.779 1.490 1.00 0.00 O ATOM 1115 CB GLU B 15 -7.382 1.332 2.567 1.00 0.00 C ATOM 1116 CG GLU B 15 -8.076 2.683 2.734 1.00 0.00 C ATOM 1117 CD GLU B 15 -9.578 2.476 2.879 1.00 0.00 C ATOM 1118 OE1 GLU B 15 -10.035 2.190 4.008 1.00 0.00 O ATOM 1119 OE2 GLU B 15 -10.297 2.602 1.863 1.00 0.00 O ATOM 0 H GLU B 15 -5.596 1.348 0.249 1.00 0.00 H new ATOM 0 HA GLU B 15 -5.402 2.082 3.060 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -7.842 0.800 1.734 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -7.555 0.734 3.462 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -7.684 3.198 3.611 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -7.868 3.318 1.873 1.00 0.00 H new ATOM 1126 N THR B 16 -4.667 -0.321 3.543 1.00 0.00 N ATOM 1127 CA THR B 16 -4.083 -1.657 3.796 1.00 0.00 C ATOM 1128 C THR B 16 -4.365 -2.179 5.216 1.00 0.00 C ATOM 1129 O THR B 16 -4.742 -1.417 6.109 1.00 0.00 O ATOM 1130 CB THR B 16 -2.560 -1.706 3.523 1.00 0.00 C ATOM 1131 OG1 THR B 16 -1.811 -1.169 4.583 1.00 0.00 O ATOM 1132 CG2 THR B 16 -2.104 -0.950 2.277 1.00 0.00 C ATOM 0 H THR B 16 -4.538 0.329 4.318 1.00 0.00 H new ATOM 0 HA THR B 16 -4.584 -2.314 3.085 1.00 0.00 H new ATOM 0 HB THR B 16 -2.382 -2.773 3.388 1.00 0.00 H new ATOM 0 HG1 THR B 16 -0.856 -1.222 4.369 1.00 0.00 H new ATOM 0 HG21 THR B 16 -1.023 -1.042 2.171 1.00 0.00 H new ATOM 0 HG22 THR B 16 -2.593 -1.370 1.398 1.00 0.00 H new ATOM 0 HG23 THR B 16 -2.370 0.103 2.372 1.00 0.00 H new ATOM 1140 N THR B 17 -4.191 -3.483 5.436 1.00 0.00 N ATOM 1141 CA THR B 17 -4.557 -4.191 6.675 1.00 0.00 C ATOM 1142 C THR B 17 -3.571 -5.335 6.975 1.00 0.00 C ATOM 1143 O THR B 17 -3.105 -6.035 6.067 1.00 0.00 O ATOM 1144 CB THR B 17 -5.992 -4.778 6.600 1.00 0.00 C ATOM 1145 OG1 THR B 17 -6.883 -3.976 5.850 1.00 0.00 O ATOM 1146 CG2 THR B 17 -6.636 -4.948 7.973 1.00 0.00 C ATOM 0 H THR B 17 -3.778 -4.100 4.737 1.00 0.00 H new ATOM 0 HA THR B 17 -4.516 -3.453 7.476 1.00 0.00 H new ATOM 0 HB THR B 17 -5.844 -5.744 6.116 1.00 0.00 H new ATOM 0 HG1 THR B 17 -7.769 -4.396 5.836 1.00 0.00 H new ATOM 0 HG21 THR B 17 -7.638 -5.362 7.856 1.00 0.00 H new ATOM 0 HG22 THR B 17 -6.032 -5.625 8.577 1.00 0.00 H new ATOM 0 HG23 THR B 17 -6.699 -3.979 8.468 1.00 0.00 H new ATOM 1154 N THR B 18 -3.259 -5.513 8.260 1.00 0.00 N ATOM 1155 CA THR B 18 -2.306 -6.500 8.808 1.00 0.00 C ATOM 1156 C THR B 18 -2.773 -7.052 10.165 1.00 0.00 C ATOM 1157 O THR B 18 -3.697 -6.514 10.781 1.00 0.00 O ATOM 1158 CB THR B 18 -0.881 -5.910 8.925 1.00 0.00 C ATOM 1159 OG1 THR B 18 0.077 -6.938 9.042 1.00 0.00 O ATOM 1160 CG2 THR B 18 -0.690 -4.964 10.115 1.00 0.00 C ATOM 0 H THR B 18 -3.684 -4.945 8.993 1.00 0.00 H new ATOM 0 HA THR B 18 -2.273 -7.330 8.102 1.00 0.00 H new ATOM 0 HB THR B 18 -0.744 -5.334 8.010 1.00 0.00 H new ATOM 0 HG1 THR B 18 0.384 -7.202 8.150 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.335 -4.594 10.125 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.378 -4.123 10.026 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.891 -5.500 11.042 1.00 0.00 H new ATOM 1168 N GLU B 19 -2.168 -8.141 10.644 1.00 0.00 N ATOM 1169 CA GLU B 19 -2.372 -8.708 11.994 1.00 0.00 C ATOM 1170 C GLU B 19 -1.040 -8.711 12.740 1.00 0.00 C ATOM 1171 O GLU B 19 -0.017 -9.147 12.210 1.00 0.00 O ATOM 1172 CB GLU B 19 -3.014 -10.102 11.919 1.00 0.00 C ATOM 1173 CG GLU B 19 -3.282 -10.711 13.294 1.00 0.00 C ATOM 1174 CD GLU B 19 -4.121 -11.974 13.160 1.00 0.00 C ATOM 1175 OE1 GLU B 19 -3.590 -13.000 12.680 1.00 0.00 O ATOM 1176 OE2 GLU B 19 -5.306 -11.939 13.561 1.00 0.00 O ATOM 0 H GLU B 19 -1.499 -8.676 10.090 1.00 0.00 H new ATOM 0 HA GLU B 19 -3.072 -8.087 12.553 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -3.952 -10.035 11.369 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -2.360 -10.767 11.354 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -2.338 -10.944 13.786 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -3.800 -9.988 13.924 1.00 0.00 H new ATOM 1183 N ALA B 20 -1.054 -8.130 13.936 1.00 0.00 N ATOM 1184 CA ALA B 20 0.111 -7.898 14.774 1.00 0.00 C ATOM 1185 C ALA B 20 -0.167 -8.247 16.242 1.00 0.00 C ATOM 1186 O ALA B 20 -1.325 -8.338 16.671 1.00 0.00 O ATOM 1187 CB ALA B 20 0.532 -6.440 14.606 1.00 0.00 C ATOM 0 H ALA B 20 -1.917 -7.794 14.363 1.00 0.00 H new ATOM 0 HA ALA B 20 0.925 -8.552 14.463 1.00 0.00 H new ATOM 0 HB1 ALA B 20 1.406 -6.240 15.226 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.777 -6.250 13.561 1.00 0.00 H new ATOM 0 HB3 ALA B 20 -0.286 -5.788 14.911 1.00 0.00 H new ATOM 1193 N VAL B 21 0.898 -8.400 17.026 1.00 0.00 N ATOM 1194 CA VAL B 21 0.786 -8.592 18.483 1.00 0.00 C ATOM 1195 C VAL B 21 0.371 -7.301 19.198 1.00 0.00 C ATOM 1196 O VAL B 21 -0.437 -7.357 20.130 1.00 0.00 O ATOM 1197 CB VAL B 21 2.075 -9.189 19.078 1.00 0.00 C ATOM 1198 CG1 VAL B 21 3.302 -8.358 18.712 1.00 0.00 C ATOM 1199 CG2 VAL B 21 2.016 -9.373 20.600 1.00 0.00 C ATOM 0 H VAL B 21 1.858 -8.396 16.680 1.00 0.00 H new ATOM 0 HA VAL B 21 -0.010 -9.317 18.651 1.00 0.00 H new ATOM 0 HB VAL B 21 2.162 -10.180 18.632 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.192 -8.811 19.150 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.408 -8.324 17.628 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.183 -7.345 19.097 1.00 0.00 H new ATOM 0 HG21 VAL B 21 2.956 -9.797 20.952 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.853 -8.407 21.077 1.00 0.00 H new ATOM 0 HG23 VAL B 21 1.197 -10.046 20.854 1.00 0.00 H new ATOM 1209 N ASP B 22 0.836 -6.121 18.755 1.00 0.00 N ATOM 1210 CA ASP B 22 0.533 -4.808 19.331 1.00 0.00 C ATOM 1211 C ASP B 22 0.697 -3.691 18.277 1.00 0.00 C ATOM 1212 O ASP B 22 1.225 -3.902 17.179 1.00 0.00 O ATOM 1213 CB ASP B 22 1.465 -4.551 20.543 1.00 0.00 C ATOM 1214 CG ASP B 22 2.985 -4.668 20.275 1.00 0.00 C ATOM 1215 OD1 ASP B 22 3.442 -4.391 19.139 1.00 0.00 O ATOM 1216 OD2 ASP B 22 3.725 -5.033 21.219 1.00 0.00 O ATOM 0 H ASP B 22 1.460 -6.058 17.951 1.00 0.00 H new ATOM 0 HA ASP B 22 -0.505 -4.800 19.664 1.00 0.00 H new ATOM 0 HB2 ASP B 22 1.261 -3.551 20.926 1.00 0.00 H new ATOM 0 HB3 ASP B 22 1.201 -5.255 21.333 1.00 0.00 H new ATOM 1221 N ALA B 23 0.238 -2.498 18.647 1.00 0.00 N ATOM 1222 CA ALA B 23 0.281 -1.294 17.816 1.00 0.00 C ATOM 1223 C ALA B 23 1.696 -0.987 17.285 1.00 0.00 C ATOM 1224 O ALA B 23 1.849 -0.568 16.142 1.00 0.00 O ATOM 1225 CB ALA B 23 -0.277 -0.113 18.616 1.00 0.00 C ATOM 0 H ALA B 23 -0.187 -2.336 19.560 1.00 0.00 H new ATOM 0 HA ALA B 23 -0.337 -1.468 16.935 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -0.248 0.788 18.003 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -1.307 -0.323 18.904 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.327 0.038 19.511 1.00 0.00 H new ATOM 1231 N ALA B 24 2.747 -1.245 18.067 1.00 0.00 N ATOM 1232 CA ALA B 24 4.124 -0.978 17.680 1.00 0.00 C ATOM 1233 C ALA B 24 4.612 -1.956 16.600 1.00 0.00 C ATOM 1234 O ALA B 24 5.309 -1.557 15.671 1.00 0.00 O ATOM 1235 CB ALA B 24 5.022 -1.021 18.921 1.00 0.00 C ATOM 0 H ALA B 24 2.658 -1.651 18.999 1.00 0.00 H new ATOM 0 HA ALA B 24 4.174 0.019 17.242 1.00 0.00 H new ATOM 0 HB1 ALA B 24 6.053 -0.821 18.631 1.00 0.00 H new ATOM 0 HB2 ALA B 24 4.693 -0.266 19.635 1.00 0.00 H new ATOM 0 HB3 ALA B 24 4.959 -2.007 19.381 1.00 0.00 H new ATOM 1241 N THR B 25 4.199 -3.222 16.662 1.00 0.00 N ATOM 1242 CA THR B 25 4.439 -4.223 15.613 1.00 0.00 C ATOM 1243 C THR B 25 3.657 -3.900 14.329 1.00 0.00 C ATOM 1244 O THR B 25 4.240 -3.891 13.246 1.00 0.00 O ATOM 1245 CB THR B 25 4.101 -5.628 16.120 1.00 0.00 C ATOM 1246 OG1 THR B 25 4.770 -5.885 17.335 1.00 0.00 O ATOM 1247 CG2 THR B 25 4.497 -6.728 15.130 1.00 0.00 C ATOM 0 H THR B 25 3.678 -3.591 17.457 1.00 0.00 H new ATOM 0 HA THR B 25 5.500 -4.192 15.364 1.00 0.00 H new ATOM 0 HB THR B 25 3.019 -5.648 16.252 1.00 0.00 H new ATOM 0 HG1 THR B 25 4.219 -5.575 18.084 1.00 0.00 H new ATOM 0 HG21 THR B 25 4.233 -7.702 15.543 1.00 0.00 H new ATOM 0 HG22 THR B 25 3.968 -6.578 14.189 1.00 0.00 H new ATOM 0 HG23 THR B 25 5.572 -6.688 14.953 1.00 0.00 H new ATOM 1255 N ALA B 26 2.370 -3.541 14.415 1.00 0.00 N ATOM 1256 CA ALA B 26 1.598 -3.098 13.239 1.00 0.00 C ATOM 1257 C ALA B 26 2.166 -1.823 12.576 1.00 0.00 C ATOM 1258 O ALA B 26 2.307 -1.760 11.355 1.00 0.00 O ATOM 1259 CB ALA B 26 0.146 -2.865 13.650 1.00 0.00 C ATOM 0 H ALA B 26 1.838 -3.547 15.285 1.00 0.00 H new ATOM 0 HA ALA B 26 1.668 -3.890 12.494 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.429 -2.537 12.784 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.276 -3.793 14.036 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.105 -2.098 14.424 1.00 0.00 H new ATOM 1265 N GLU B 27 2.578 -0.860 13.410 1.00 0.00 N ATOM 1266 CA GLU B 27 3.297 0.358 12.978 1.00 0.00 C ATOM 1267 C GLU B 27 4.628 0.003 12.322 1.00 0.00 C ATOM 1268 O GLU B 27 4.953 0.543 11.266 1.00 0.00 O ATOM 1269 CB GLU B 27 3.543 1.361 14.118 1.00 0.00 C ATOM 1270 CG GLU B 27 3.894 2.743 13.559 1.00 0.00 C ATOM 1271 CD GLU B 27 4.380 3.672 14.660 1.00 0.00 C ATOM 1272 OE1 GLU B 27 3.559 4.095 15.503 1.00 0.00 O ATOM 1273 OE2 GLU B 27 5.585 4.010 14.648 1.00 0.00 O ATOM 0 H GLU B 27 2.422 -0.900 14.417 1.00 0.00 H new ATOM 0 HA GLU B 27 2.642 0.843 12.254 1.00 0.00 H new ATOM 0 HB2 GLU B 27 2.654 1.432 14.744 1.00 0.00 H new ATOM 0 HB3 GLU B 27 4.353 1.004 14.754 1.00 0.00 H new ATOM 0 HG2 GLU B 27 4.665 2.644 12.795 1.00 0.00 H new ATOM 0 HG3 GLU B 27 3.019 3.175 13.074 1.00 0.00 H new ATOM 1280 N LYS B 28 5.366 -0.955 12.888 1.00 0.00 N ATOM 1281 CA LYS B 28 6.601 -1.456 12.268 1.00 0.00 C ATOM 1282 C LYS B 28 6.350 -2.102 10.888 1.00 0.00 C ATOM 1283 O LYS B 28 7.034 -1.750 9.925 1.00 0.00 O ATOM 1284 CB LYS B 28 7.315 -2.413 13.240 1.00 0.00 C ATOM 1285 CG LYS B 28 8.674 -2.915 12.727 1.00 0.00 C ATOM 1286 CD LYS B 28 9.330 -3.821 13.784 1.00 0.00 C ATOM 1287 CE LYS B 28 10.655 -4.436 13.315 1.00 0.00 C ATOM 1288 NZ LYS B 28 11.740 -3.438 13.197 1.00 0.00 N ATOM 0 H LYS B 28 5.132 -1.401 13.775 1.00 0.00 H new ATOM 0 HA LYS B 28 7.256 -0.607 12.074 1.00 0.00 H new ATOM 0 HB2 LYS B 28 7.462 -1.905 14.193 1.00 0.00 H new ATOM 0 HB3 LYS B 28 6.670 -3.270 13.431 1.00 0.00 H new ATOM 0 HG2 LYS B 28 8.540 -3.466 11.796 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.325 -2.069 12.506 1.00 0.00 H new ATOM 0 HD2 LYS B 28 9.506 -3.242 14.690 1.00 0.00 H new ATOM 0 HD3 LYS B 28 8.638 -4.621 14.047 1.00 0.00 H new ATOM 0 HE2 LYS B 28 10.958 -5.214 14.016 1.00 0.00 H new ATOM 0 HE3 LYS B 28 10.505 -4.918 12.349 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 12.611 -3.908 12.877 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 11.467 -2.708 12.508 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 11.906 -2.995 14.123 1.00 0.00 H new ATOM 1302 N VAL B 29 5.350 -2.986 10.741 1.00 0.00 N ATOM 1303 CA VAL B 29 4.978 -3.576 9.432 1.00 0.00 C ATOM 1304 C VAL B 29 4.583 -2.492 8.416 1.00 0.00 C ATOM 1305 O VAL B 29 5.152 -2.431 7.326 1.00 0.00 O ATOM 1306 CB VAL B 29 3.859 -4.636 9.576 1.00 0.00 C ATOM 1307 CG1 VAL B 29 3.360 -5.167 8.223 1.00 0.00 C ATOM 1308 CG2 VAL B 29 4.363 -5.856 10.360 1.00 0.00 C ATOM 0 H VAL B 29 4.776 -3.314 11.517 1.00 0.00 H new ATOM 0 HA VAL B 29 5.863 -4.084 9.050 1.00 0.00 H new ATOM 0 HB VAL B 29 3.046 -4.126 10.094 1.00 0.00 H new ATOM 0 HG11 VAL B 29 2.577 -5.906 8.389 1.00 0.00 H new ATOM 0 HG12 VAL B 29 2.961 -4.342 7.633 1.00 0.00 H new ATOM 0 HG13 VAL B 29 4.188 -5.630 7.686 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.560 -6.588 10.449 1.00 0.00 H new ATOM 0 HG22 VAL B 29 5.206 -6.304 9.834 1.00 0.00 H new ATOM 0 HG23 VAL B 29 4.681 -5.543 11.355 1.00 0.00 H new ATOM 1318 N PHE B 30 3.674 -1.584 8.775 1.00 0.00 N ATOM 1319 CA PHE B 30 3.260 -0.496 7.878 1.00 0.00 C ATOM 1320 C PHE B 30 4.423 0.437 7.470 1.00 0.00 C ATOM 1321 O PHE B 30 4.524 0.829 6.305 1.00 0.00 O ATOM 1322 CB PHE B 30 2.121 0.321 8.504 1.00 0.00 C ATOM 1323 CG PHE B 30 0.817 -0.424 8.756 1.00 0.00 C ATOM 1324 CD1 PHE B 30 0.251 -1.251 7.763 1.00 0.00 C ATOM 1325 CD2 PHE B 30 0.137 -0.243 9.977 1.00 0.00 C ATOM 1326 CE1 PHE B 30 -0.975 -1.898 7.997 1.00 0.00 C ATOM 1327 CE2 PHE B 30 -1.085 -0.900 10.212 1.00 0.00 C ATOM 1328 CZ PHE B 30 -1.641 -1.720 9.218 1.00 0.00 C ATOM 0 H PHE B 30 3.208 -1.578 9.682 1.00 0.00 H new ATOM 0 HA PHE B 30 2.906 -0.975 6.965 1.00 0.00 H new ATOM 0 HB2 PHE B 30 2.472 0.727 9.453 1.00 0.00 H new ATOM 0 HB3 PHE B 30 1.910 1.169 7.853 1.00 0.00 H new ATOM 0 HD1 PHE B 30 0.761 -1.387 6.821 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.555 0.402 10.735 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -1.404 -2.533 7.236 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -1.594 -0.773 11.156 1.00 0.00 H new ATOM 0 HZ PHE B 30 -2.584 -2.215 9.394 1.00 0.00 H new ATOM 1338 N LYS B 31 5.344 0.737 8.389 1.00 0.00 N ATOM 1339 CA LYS B 31 6.556 1.513 8.081 1.00 0.00 C ATOM 1340 C LYS B 31 7.607 0.735 7.267 1.00 0.00 C ATOM 1341 O LYS B 31 8.444 1.356 6.613 1.00 0.00 O ATOM 1342 CB LYS B 31 7.164 2.105 9.358 1.00 0.00 C ATOM 1343 CG LYS B 31 6.321 3.299 9.828 1.00 0.00 C ATOM 1344 CD LYS B 31 6.906 3.940 11.088 1.00 0.00 C ATOM 1345 CE LYS B 31 6.096 5.193 11.438 1.00 0.00 C ATOM 1346 NZ LYS B 31 6.563 5.811 12.694 1.00 0.00 N ATOM 0 H LYS B 31 5.275 0.452 9.366 1.00 0.00 H new ATOM 0 HA LYS B 31 6.234 2.328 7.433 1.00 0.00 H new ATOM 0 HB2 LYS B 31 7.204 1.346 10.139 1.00 0.00 H new ATOM 0 HB3 LYS B 31 8.190 2.423 9.170 1.00 0.00 H new ATOM 0 HG2 LYS B 31 6.267 4.042 9.033 1.00 0.00 H new ATOM 0 HG3 LYS B 31 5.301 2.969 10.027 1.00 0.00 H new ATOM 0 HD2 LYS B 31 6.880 3.232 11.916 1.00 0.00 H new ATOM 0 HD3 LYS B 31 7.952 4.202 10.926 1.00 0.00 H new ATOM 0 HE2 LYS B 31 6.174 5.916 10.626 1.00 0.00 H new ATOM 0 HE3 LYS B 31 5.042 4.931 11.531 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 6.152 6.762 12.787 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 6.266 5.225 13.500 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 7.600 5.882 12.681 1.00 0.00 H new ATOM 1360 N GLN B 32 7.577 -0.602 7.257 1.00 0.00 N ATOM 1361 CA GLN B 32 8.395 -1.423 6.348 1.00 0.00 C ATOM 1362 C GLN B 32 7.992 -1.198 4.876 1.00 0.00 C ATOM 1363 O GLN B 32 8.852 -1.049 4.007 1.00 0.00 O ATOM 1364 CB GLN B 32 8.261 -2.913 6.719 1.00 0.00 C ATOM 1365 CG GLN B 32 9.394 -3.795 6.178 1.00 0.00 C ATOM 1366 CD GLN B 32 10.736 -3.451 6.786 1.00 0.00 C ATOM 1367 OE1 GLN B 32 11.605 -2.876 6.143 1.00 0.00 O ATOM 1368 NE2 GLN B 32 10.945 -3.784 8.042 1.00 0.00 N ATOM 0 H GLN B 32 6.984 -1.150 7.880 1.00 0.00 H new ATOM 0 HA GLN B 32 9.436 -1.119 6.459 1.00 0.00 H new ATOM 0 HB2 GLN B 32 8.229 -3.005 7.805 1.00 0.00 H new ATOM 0 HB3 GLN B 32 7.310 -3.287 6.340 1.00 0.00 H new ATOM 0 HG2 GLN B 32 9.164 -4.841 6.381 1.00 0.00 H new ATOM 0 HG3 GLN B 32 9.450 -3.685 5.095 1.00 0.00 H new ATOM 0 HE21 GLN B 32 10.216 -4.263 8.571 1.00 0.00 H new ATOM 0 HE22 GLN B 32 11.836 -3.563 8.487 1.00 0.00 H new ATOM 1377 N TYR B 33 6.684 -1.125 4.601 1.00 0.00 N ATOM 1378 CA TYR B 33 6.126 -0.887 3.259 1.00 0.00 C ATOM 1379 C TYR B 33 6.170 0.591 2.824 1.00 0.00 C ATOM 1380 O TYR B 33 6.536 0.892 1.690 1.00 0.00 O ATOM 1381 CB TYR B 33 4.686 -1.425 3.202 1.00 0.00 C ATOM 1382 CG TYR B 33 4.609 -2.927 2.989 1.00 0.00 C ATOM 1383 CD1 TYR B 33 4.998 -3.819 4.009 1.00 0.00 C ATOM 1384 CD2 TYR B 33 4.161 -3.440 1.755 1.00 0.00 C ATOM 1385 CE1 TYR B 33 4.965 -5.207 3.788 1.00 0.00 C ATOM 1386 CE2 TYR B 33 4.118 -4.830 1.539 1.00 0.00 C ATOM 1387 CZ TYR B 33 4.526 -5.709 2.554 1.00 0.00 C ATOM 1388 OH TYR B 33 4.514 -7.049 2.346 1.00 0.00 O ATOM 0 H TYR B 33 5.967 -1.232 5.318 1.00 0.00 H new ATOM 0 HA TYR B 33 6.758 -1.422 2.551 1.00 0.00 H new ATOM 0 HB2 TYR B 33 4.175 -1.171 4.130 1.00 0.00 H new ATOM 0 HB3 TYR B 33 4.151 -0.924 2.396 1.00 0.00 H new ATOM 0 HD1 TYR B 33 5.323 -3.434 4.964 1.00 0.00 H new ATOM 0 HD2 TYR B 33 3.850 -2.764 0.972 1.00 0.00 H new ATOM 0 HE1 TYR B 33 5.277 -5.886 4.568 1.00 0.00 H new ATOM 0 HE2 TYR B 33 3.771 -5.220 0.593 1.00 0.00 H new ATOM 0 HH TYR B 33 4.130 -7.498 3.128 1.00 0.00 H new ATOM 1398 N PHE B 34 5.836 1.502 3.740 1.00 0.00 N ATOM 1399 CA PHE B 34 5.638 2.938 3.462 1.00 0.00 C ATOM 1400 C PHE B 34 6.801 3.843 3.943 1.00 0.00 C ATOM 1401 O PHE B 34 6.612 5.024 4.243 1.00 0.00 O ATOM 1402 CB PHE B 34 4.251 3.372 3.967 1.00 0.00 C ATOM 1403 CG PHE B 34 3.102 2.645 3.288 1.00 0.00 C ATOM 1404 CD1 PHE B 34 2.885 2.817 1.906 1.00 0.00 C ATOM 1405 CD2 PHE B 34 2.260 1.786 4.021 1.00 0.00 C ATOM 1406 CE1 PHE B 34 1.845 2.125 1.261 1.00 0.00 C ATOM 1407 CE2 PHE B 34 1.219 1.095 3.375 1.00 0.00 C ATOM 1408 CZ PHE B 34 1.012 1.265 1.994 1.00 0.00 C ATOM 0 H PHE B 34 5.691 1.263 4.721 1.00 0.00 H new ATOM 0 HA PHE B 34 5.660 3.078 2.381 1.00 0.00 H new ATOM 0 HB2 PHE B 34 4.195 3.200 5.042 1.00 0.00 H new ATOM 0 HB3 PHE B 34 4.135 4.444 3.810 1.00 0.00 H new ATOM 0 HD1 PHE B 34 3.520 3.483 1.340 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.414 1.658 5.082 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.687 2.255 0.201 1.00 0.00 H new ATOM 0 HE2 PHE B 34 0.578 0.434 3.939 1.00 0.00 H new ATOM 0 HZ PHE B 34 0.213 0.734 1.498 1.00 0.00 H new ATOM 1418 N ASN B 35 8.012 3.285 4.029 1.00 0.00 N ATOM 1419 CA ASN B 35 9.192 3.906 4.641 1.00 0.00 C ATOM 1420 C ASN B 35 9.600 5.291 4.074 1.00 0.00 C ATOM 1421 O ASN B 35 9.720 6.258 4.832 1.00 0.00 O ATOM 1422 CB ASN B 35 10.354 2.901 4.532 1.00 0.00 C ATOM 1423 CG ASN B 35 11.371 3.126 5.633 1.00 0.00 C ATOM 1424 OD1 ASN B 35 12.391 3.781 5.453 1.00 0.00 O ATOM 1425 ND2 ASN B 35 11.101 2.592 6.806 1.00 0.00 N ATOM 0 H ASN B 35 8.205 2.354 3.661 1.00 0.00 H new ATOM 0 HA ASN B 35 8.933 4.128 5.676 1.00 0.00 H new ATOM 0 HB2 ASN B 35 9.967 1.884 4.592 1.00 0.00 H new ATOM 0 HB3 ASN B 35 10.837 3.002 3.560 1.00 0.00 H new ATOM 0 HD21 ASN B 35 11.746 2.720 7.585 1.00 0.00 H new ATOM 0 HD22 ASN B 35 10.246 2.050 6.935 1.00 0.00 H new ATOM 1432 N ASP B 36 9.838 5.377 2.754 1.00 0.00 N ATOM 1433 CA ASP B 36 10.433 6.541 2.049 1.00 0.00 C ATOM 1434 C ASP B 36 10.244 6.468 0.516 1.00 0.00 C ATOM 1435 O ASP B 36 11.112 6.842 -0.273 1.00 0.00 O ATOM 1436 CB ASP B 36 11.927 6.656 2.441 1.00 0.00 C ATOM 1437 CG ASP B 36 12.649 7.926 1.930 1.00 0.00 C ATOM 1438 OD1 ASP B 36 12.078 9.041 2.026 1.00 0.00 O ATOM 1439 OD2 ASP B 36 13.815 7.813 1.476 1.00 0.00 O ATOM 0 H ASP B 36 9.615 4.611 2.118 1.00 0.00 H new ATOM 0 HA ASP B 36 9.907 7.442 2.363 1.00 0.00 H new ATOM 0 HB2 ASP B 36 12.004 6.627 3.528 1.00 0.00 H new ATOM 0 HB3 ASP B 36 12.454 5.781 2.061 1.00 0.00 H new ATOM 1444 N ASN B 37 9.100 5.934 0.084 1.00 0.00 N ATOM 1445 CA ASN B 37 8.759 5.779 -1.346 1.00 0.00 C ATOM 1446 C ASN B 37 8.396 7.135 -2.017 1.00 0.00 C ATOM 1447 O ASN B 37 8.494 7.313 -3.233 1.00 0.00 O ATOM 1448 CB ASN B 37 7.580 4.799 -1.467 1.00 0.00 C ATOM 1449 CG ASN B 37 7.751 3.490 -0.705 1.00 0.00 C ATOM 1450 OD1 ASN B 37 8.847 2.998 -0.458 1.00 0.00 O ATOM 1451 ND2 ASN B 37 6.649 2.918 -0.274 1.00 0.00 N ATOM 0 H ASN B 37 8.374 5.592 0.714 1.00 0.00 H new ATOM 0 HA ASN B 37 9.635 5.393 -1.867 1.00 0.00 H new ATOM 0 HB2 ASN B 37 6.677 5.294 -1.110 1.00 0.00 H new ATOM 0 HB3 ASN B 37 7.423 4.571 -2.521 1.00 0.00 H new ATOM 0 HD21 ASN B 37 6.701 2.057 0.271 1.00 0.00 H new ATOM 0 HD22 ASN B 37 5.742 3.335 -0.484 1.00 0.00 H new ATOM 1458 N GLY B 38 7.938 8.064 -1.176 1.00 0.00 N ATOM 1459 CA GLY B 38 7.382 9.389 -1.512 1.00 0.00 C ATOM 1460 C GLY B 38 6.366 9.950 -0.500 1.00 0.00 C ATOM 1461 O GLY B 38 5.857 11.054 -0.687 1.00 0.00 O ATOM 0 H GLY B 38 7.943 7.905 -0.168 1.00 0.00 H new ATOM 0 HA2 GLY B 38 8.205 10.097 -1.607 1.00 0.00 H new ATOM 0 HA3 GLY B 38 6.901 9.327 -2.488 1.00 0.00 H new ATOM 1465 N VAL B 39 6.084 9.207 0.578 1.00 0.00 N ATOM 1466 CA VAL B 39 5.082 9.498 1.623 1.00 0.00 C ATOM 1467 C VAL B 39 5.717 9.503 3.031 1.00 0.00 C ATOM 1468 O VAL B 39 5.123 9.100 4.032 1.00 0.00 O ATOM 1469 CB VAL B 39 3.858 8.569 1.448 1.00 0.00 C ATOM 1470 CG1 VAL B 39 4.184 7.089 1.701 1.00 0.00 C ATOM 1471 CG2 VAL B 39 2.648 9.009 2.277 1.00 0.00 C ATOM 0 H VAL B 39 6.577 8.333 0.759 1.00 0.00 H new ATOM 0 HA VAL B 39 4.701 10.513 1.507 1.00 0.00 H new ATOM 0 HB VAL B 39 3.584 8.665 0.397 1.00 0.00 H new ATOM 0 HG11 VAL B 39 3.284 6.489 1.562 1.00 0.00 H new ATOM 0 HG12 VAL B 39 4.951 6.760 1.000 1.00 0.00 H new ATOM 0 HG13 VAL B 39 4.549 6.966 2.721 1.00 0.00 H new ATOM 0 HG21 VAL B 39 1.822 8.317 2.111 1.00 0.00 H new ATOM 0 HG22 VAL B 39 2.913 9.011 3.334 1.00 0.00 H new ATOM 0 HG23 VAL B 39 2.347 10.013 1.977 1.00 0.00 H new ATOM 1481 N ASP B 40 6.968 9.979 3.104 1.00 0.00 N ATOM 1482 CA ASP B 40 7.744 10.296 4.326 1.00 0.00 C ATOM 1483 C ASP B 40 7.154 11.505 5.098 1.00 0.00 C ATOM 1484 O ASP B 40 7.822 12.505 5.370 1.00 0.00 O ATOM 1485 CB ASP B 40 9.225 10.502 3.939 1.00 0.00 C ATOM 1486 CG ASP B 40 10.174 10.740 5.139 1.00 0.00 C ATOM 1487 OD1 ASP B 40 10.038 10.051 6.180 1.00 0.00 O ATOM 1488 OD2 ASP B 40 11.075 11.610 5.035 1.00 0.00 O ATOM 0 H ASP B 40 7.506 10.168 2.258 1.00 0.00 H new ATOM 0 HA ASP B 40 7.678 9.457 5.019 1.00 0.00 H new ATOM 0 HB2 ASP B 40 9.569 9.627 3.388 1.00 0.00 H new ATOM 0 HB3 ASP B 40 9.296 11.353 3.262 1.00 0.00 H new ATOM 1493 N GLY B 41 5.850 11.441 5.360 1.00 0.00 N ATOM 1494 CA GLY B 41 4.995 12.509 5.881 1.00 0.00 C ATOM 1495 C GLY B 41 4.589 12.329 7.348 1.00 0.00 C ATOM 1496 O GLY B 41 5.238 11.606 8.113 1.00 0.00 O ATOM 0 H GLY B 41 5.325 10.581 5.203 1.00 0.00 H new ATOM 0 HA2 GLY B 41 5.515 13.461 5.774 1.00 0.00 H new ATOM 0 HA3 GLY B 41 4.094 12.568 5.271 1.00 0.00 H new ATOM 1500 N GLU B 42 3.515 13.009 7.753 1.00 0.00 N ATOM 1501 CA GLU B 42 2.904 12.897 9.092 1.00 0.00 C ATOM 1502 C GLU B 42 2.159 11.569 9.253 1.00 0.00 C ATOM 1503 O GLU B 42 1.201 11.304 8.528 1.00 0.00 O ATOM 1504 CB GLU B 42 1.943 14.072 9.335 1.00 0.00 C ATOM 1505 CG GLU B 42 1.377 14.080 10.755 1.00 0.00 C ATOM 1506 CD GLU B 42 0.580 15.357 10.985 1.00 0.00 C ATOM 1507 OE1 GLU B 42 -0.619 15.387 10.625 1.00 0.00 O ATOM 1508 OE2 GLU B 42 1.154 16.326 11.532 1.00 0.00 O ATOM 0 H GLU B 42 3.029 13.671 7.149 1.00 0.00 H new ATOM 0 HA GLU B 42 3.705 12.928 9.831 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.467 15.010 9.151 1.00 0.00 H new ATOM 0 HB3 GLU B 42 1.122 14.020 8.620 1.00 0.00 H new ATOM 0 HG2 GLU B 42 0.739 13.210 10.907 1.00 0.00 H new ATOM 0 HG3 GLU B 42 2.188 14.011 11.480 1.00 0.00 H new ATOM 1515 N TRP B 43 2.592 10.751 10.212 1.00 0.00 N ATOM 1516 CA TRP B 43 1.883 9.543 10.658 1.00 0.00 C ATOM 1517 C TRP B 43 1.025 9.862 11.899 1.00 0.00 C ATOM 1518 O TRP B 43 1.446 10.618 12.782 1.00 0.00 O ATOM 1519 CB TRP B 43 2.885 8.426 10.989 1.00 0.00 C ATOM 1520 CG TRP B 43 3.538 7.743 9.823 1.00 0.00 C ATOM 1521 CD1 TRP B 43 4.484 8.281 9.020 1.00 0.00 C ATOM 1522 CD2 TRP B 43 3.310 6.392 9.308 1.00 0.00 C ATOM 1523 NE1 TRP B 43 4.863 7.368 8.058 1.00 0.00 N ATOM 1524 CE2 TRP B 43 4.158 6.191 8.176 1.00 0.00 C ATOM 1525 CE3 TRP B 43 2.473 5.315 9.679 1.00 0.00 C ATOM 1526 CZ2 TRP B 43 4.164 4.999 7.440 1.00 0.00 C ATOM 1527 CZ3 TRP B 43 2.479 4.109 8.952 1.00 0.00 C ATOM 1528 CH2 TRP B 43 3.315 3.952 7.832 1.00 0.00 C ATOM 0 H TRP B 43 3.465 10.910 10.714 1.00 0.00 H new ATOM 0 HA TRP B 43 1.233 9.204 9.852 1.00 0.00 H new ATOM 0 HB2 TRP B 43 3.668 8.847 11.620 1.00 0.00 H new ATOM 0 HB3 TRP B 43 2.370 7.670 11.582 1.00 0.00 H new ATOM 0 HD1 TRP B 43 4.884 9.279 9.118 1.00 0.00 H new ATOM 0 HE1 TRP B 43 5.575 7.543 7.349 1.00 0.00 H new ATOM 0 HE3 TRP B 43 1.819 5.419 10.532 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 4.812 4.887 6.584 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 1.836 3.297 9.257 1.00 0.00 H new ATOM 0 HH2 TRP B 43 3.304 3.027 7.274 1.00 0.00 H new ATOM 1539 N THR B 44 -0.156 9.257 11.993 1.00 0.00 N ATOM 1540 CA THR B 44 -1.137 9.417 13.083 1.00 0.00 C ATOM 1541 C THR B 44 -1.735 8.044 13.433 1.00 0.00 C ATOM 1542 O THR B 44 -1.801 7.159 12.573 1.00 0.00 O ATOM 1543 CB THR B 44 -2.267 10.375 12.639 1.00 0.00 C ATOM 1544 OG1 THR B 44 -1.745 11.610 12.192 1.00 0.00 O ATOM 1545 CG2 THR B 44 -3.284 10.706 13.734 1.00 0.00 C ATOM 0 H THR B 44 -0.479 8.606 11.277 1.00 0.00 H new ATOM 0 HA THR B 44 -0.639 9.835 13.958 1.00 0.00 H new ATOM 0 HB THR B 44 -2.773 9.829 11.843 1.00 0.00 H new ATOM 0 HG1 THR B 44 -2.481 12.196 11.916 1.00 0.00 H new ATOM 0 HG21 THR B 44 -4.040 11.383 13.336 1.00 0.00 H new ATOM 0 HG22 THR B 44 -3.762 9.788 14.076 1.00 0.00 H new ATOM 0 HG23 THR B 44 -2.775 11.183 14.571 1.00 0.00 H new ATOM 1553 N TYR B 45 -2.201 7.843 14.668 1.00 0.00 N ATOM 1554 CA TYR B 45 -2.827 6.597 15.136 1.00 0.00 C ATOM 1555 C TYR B 45 -3.987 6.882 16.106 1.00 0.00 C ATOM 1556 O TYR B 45 -3.877 7.741 16.988 1.00 0.00 O ATOM 1557 CB TYR B 45 -1.759 5.733 15.829 1.00 0.00 C ATOM 1558 CG TYR B 45 -2.268 4.450 16.471 1.00 0.00 C ATOM 1559 CD1 TYR B 45 -2.859 3.448 15.680 1.00 0.00 C ATOM 1560 CD2 TYR B 45 -2.139 4.247 17.860 1.00 0.00 C ATOM 1561 CE1 TYR B 45 -3.320 2.255 16.266 1.00 0.00 C ATOM 1562 CE2 TYR B 45 -2.596 3.049 18.444 1.00 0.00 C ATOM 1563 CZ TYR B 45 -3.190 2.057 17.649 1.00 0.00 C ATOM 1564 OH TYR B 45 -3.655 0.910 18.215 1.00 0.00 O ATOM 0 H TYR B 45 -2.154 8.560 15.392 1.00 0.00 H new ATOM 0 HA TYR B 45 -3.239 6.067 14.277 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.995 5.473 15.096 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -1.273 6.334 16.597 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -2.960 3.596 14.615 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -1.689 5.011 18.477 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -3.774 1.492 15.651 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -2.489 2.894 19.507 1.00 0.00 H new ATOM 0 HH TYR B 45 -3.872 1.074 19.157 1.00 0.00 H new ATOM 1574 N ASP B 46 -5.081 6.132 15.956 1.00 0.00 N ATOM 1575 CA ASP B 46 -6.232 6.083 16.868 1.00 0.00 C ATOM 1576 C ASP B 46 -6.365 4.666 17.429 1.00 0.00 C ATOM 1577 O ASP B 46 -6.682 3.720 16.698 1.00 0.00 O ATOM 1578 CB ASP B 46 -7.514 6.526 16.143 1.00 0.00 C ATOM 1579 CG ASP B 46 -7.528 8.027 15.784 1.00 0.00 C ATOM 1580 OD1 ASP B 46 -7.836 8.856 16.676 1.00 0.00 O ATOM 1581 OD2 ASP B 46 -7.264 8.377 14.608 1.00 0.00 O ATOM 0 H ASP B 46 -5.196 5.510 15.156 1.00 0.00 H new ATOM 0 HA ASP B 46 -6.075 6.774 17.696 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -7.627 5.941 15.230 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -8.375 6.303 16.774 1.00 0.00 H new ATOM 1586 N ASP B 47 -6.094 4.504 18.728 1.00 0.00 N ATOM 1587 CA ASP B 47 -6.097 3.199 19.403 1.00 0.00 C ATOM 1588 C ASP B 47 -7.515 2.652 19.593 1.00 0.00 C ATOM 1589 O ASP B 47 -7.770 1.465 19.417 1.00 0.00 O ATOM 1590 CB ASP B 47 -5.360 3.342 20.748 1.00 0.00 C ATOM 1591 CG ASP B 47 -5.079 1.988 21.418 1.00 0.00 C ATOM 1592 OD1 ASP B 47 -4.345 1.161 20.825 1.00 0.00 O ATOM 1593 OD2 ASP B 47 -5.636 1.728 22.511 1.00 0.00 O ATOM 0 H ASP B 47 -5.864 5.281 19.347 1.00 0.00 H new ATOM 0 HA ASP B 47 -5.579 2.473 18.777 1.00 0.00 H new ATOM 0 HB2 ASP B 47 -4.418 3.866 20.587 1.00 0.00 H new ATOM 0 HB3 ASP B 47 -5.956 3.959 21.421 1.00 0.00 H new ATOM 1598 N ALA B 48 -8.477 3.534 19.833 1.00 0.00 N ATOM 1599 CA ALA B 48 -9.905 3.219 19.993 1.00 0.00 C ATOM 1600 C ALA B 48 -10.592 2.613 18.749 1.00 0.00 C ATOM 1601 O ALA B 48 -11.755 2.204 18.808 1.00 0.00 O ATOM 1602 CB ALA B 48 -10.608 4.526 20.367 1.00 0.00 C ATOM 0 H ALA B 48 -8.284 4.531 19.927 1.00 0.00 H new ATOM 0 HA ALA B 48 -9.981 2.447 20.758 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -11.674 4.341 20.497 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -10.190 4.910 21.298 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -10.461 5.258 19.573 1.00 0.00 H new ATOM 1608 N THR B 49 -9.899 2.621 17.610 1.00 0.00 N ATOM 1609 CA THR B 49 -10.304 1.924 16.374 1.00 0.00 C ATOM 1610 C THR B 49 -9.177 1.039 15.769 1.00 0.00 C ATOM 1611 O THR B 49 -9.258 0.626 14.610 1.00 0.00 O ATOM 1612 CB THR B 49 -10.957 2.934 15.403 1.00 0.00 C ATOM 1613 OG1 THR B 49 -11.577 2.332 14.287 1.00 0.00 O ATOM 1614 CG2 THR B 49 -9.996 4.020 14.926 1.00 0.00 C ATOM 0 H THR B 49 -9.017 3.123 17.512 1.00 0.00 H new ATOM 0 HA THR B 49 -11.069 1.185 16.612 1.00 0.00 H new ATOM 0 HB THR B 49 -11.735 3.402 16.006 1.00 0.00 H new ATOM 0 HG1 THR B 49 -11.045 1.564 13.992 1.00 0.00 H new ATOM 0 HG21 THR B 49 -10.518 4.695 14.248 1.00 0.00 H new ATOM 0 HG22 THR B 49 -9.627 4.582 15.784 1.00 0.00 H new ATOM 0 HG23 THR B 49 -9.156 3.560 14.405 1.00 0.00 H new ATOM 1622 N LYS B 50 -8.079 0.774 16.504 1.00 0.00 N ATOM 1623 CA LYS B 50 -6.844 0.110 16.032 1.00 0.00 C ATOM 1624 C LYS B 50 -6.382 0.504 14.609 1.00 0.00 C ATOM 1625 O LYS B 50 -6.010 -0.354 13.802 1.00 0.00 O ATOM 1626 CB LYS B 50 -6.952 -1.420 16.216 1.00 0.00 C ATOM 1627 CG LYS B 50 -7.304 -1.889 17.635 1.00 0.00 C ATOM 1628 CD LYS B 50 -6.351 -1.348 18.708 1.00 0.00 C ATOM 1629 CE LYS B 50 -6.783 -1.836 20.095 1.00 0.00 C ATOM 1630 NZ LYS B 50 -6.347 -0.915 21.160 1.00 0.00 N ATOM 0 H LYS B 50 -8.025 1.029 17.490 1.00 0.00 H new ATOM 0 HA LYS B 50 -6.044 0.489 16.668 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -7.708 -1.799 15.528 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -6.003 -1.872 15.927 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -8.321 -1.576 17.871 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -7.291 -2.979 17.664 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -5.333 -1.677 18.500 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -6.345 -0.258 18.683 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -7.868 -1.937 20.123 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -6.366 -2.826 20.278 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -6.150 -1.455 22.027 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -5.485 -0.418 20.858 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -7.098 -0.221 21.348 1.00 0.00 H new ATOM 1644 N THR B 51 -6.425 1.798 14.279 1.00 0.00 N ATOM 1645 CA THR B 51 -6.188 2.263 12.886 1.00 0.00 C ATOM 1646 C THR B 51 -5.179 3.413 12.804 1.00 0.00 C ATOM 1647 O THR B 51 -5.191 4.336 13.622 1.00 0.00 O ATOM 1648 CB THR B 51 -7.506 2.667 12.187 1.00 0.00 C ATOM 1649 OG1 THR B 51 -8.412 1.583 12.135 1.00 0.00 O ATOM 1650 CG2 THR B 51 -7.333 3.137 10.737 1.00 0.00 C ATOM 0 H THR B 51 -6.619 2.547 14.944 1.00 0.00 H new ATOM 0 HA THR B 51 -5.757 1.410 12.361 1.00 0.00 H new ATOM 0 HB THR B 51 -7.878 3.493 12.793 1.00 0.00 H new ATOM 0 HG1 THR B 51 -8.652 1.313 13.046 1.00 0.00 H new ATOM 0 HG21 THR B 51 -8.306 3.401 10.322 1.00 0.00 H new ATOM 0 HG22 THR B 51 -6.679 4.009 10.713 1.00 0.00 H new ATOM 0 HG23 THR B 51 -6.891 2.336 10.145 1.00 0.00 H new ATOM 1658 N PHE B 52 -4.314 3.371 11.790 1.00 0.00 N ATOM 1659 CA PHE B 52 -3.239 4.309 11.477 1.00 0.00 C ATOM 1660 C PHE B 52 -3.568 5.096 10.197 1.00 0.00 C ATOM 1661 O PHE B 52 -4.163 4.563 9.259 1.00 0.00 O ATOM 1662 CB PHE B 52 -1.931 3.538 11.223 1.00 0.00 C ATOM 1663 CG PHE B 52 -1.336 2.852 12.432 1.00 0.00 C ATOM 1664 CD1 PHE B 52 -1.764 1.562 12.802 1.00 0.00 C ATOM 1665 CD2 PHE B 52 -0.346 3.508 13.187 1.00 0.00 C ATOM 1666 CE1 PHE B 52 -1.208 0.933 13.929 1.00 0.00 C ATOM 1667 CE2 PHE B 52 0.196 2.885 14.323 1.00 0.00 C ATOM 1668 CZ PHE B 52 -0.240 1.603 14.696 1.00 0.00 C ATOM 0 H PHE B 52 -4.352 2.613 11.108 1.00 0.00 H new ATOM 0 HA PHE B 52 -3.131 4.990 12.321 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -2.115 2.787 10.455 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -1.193 4.232 10.820 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -2.520 1.056 12.219 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.003 4.489 12.893 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -1.524 -0.062 14.205 1.00 0.00 H new ATOM 0 HE2 PHE B 52 0.948 3.392 14.910 1.00 0.00 H new ATOM 0 HZ PHE B 52 0.170 1.130 15.576 1.00 0.00 H new ATOM 1678 N THR B 53 -3.153 6.354 10.141 1.00 0.00 N ATOM 1679 CA THR B 53 -3.267 7.208 8.949 1.00 0.00 C ATOM 1680 C THR B 53 -1.907 7.836 8.632 1.00 0.00 C ATOM 1681 O THR B 53 -1.187 8.238 9.550 1.00 0.00 O ATOM 1682 CB THR B 53 -4.313 8.318 9.187 1.00 0.00 C ATOM 1683 OG1 THR B 53 -5.559 7.769 9.565 1.00 0.00 O ATOM 1684 CG2 THR B 53 -4.571 9.189 7.958 1.00 0.00 C ATOM 0 H THR B 53 -2.718 6.826 10.934 1.00 0.00 H new ATOM 0 HA THR B 53 -3.588 6.597 8.105 1.00 0.00 H new ATOM 0 HB THR B 53 -3.886 8.934 9.978 1.00 0.00 H new ATOM 0 HG1 THR B 53 -6.204 8.492 9.712 1.00 0.00 H new ATOM 0 HG21 THR B 53 -5.316 9.947 8.199 1.00 0.00 H new ATOM 0 HG22 THR B 53 -3.644 9.675 7.656 1.00 0.00 H new ATOM 0 HG23 THR B 53 -4.937 8.567 7.141 1.00 0.00 H new ATOM 1692 N VAL B 54 -1.547 7.955 7.352 1.00 0.00 N ATOM 1693 CA VAL B 54 -0.364 8.719 6.898 1.00 0.00 C ATOM 1694 C VAL B 54 -0.737 9.695 5.776 1.00 0.00 C ATOM 1695 O VAL B 54 -1.524 9.361 4.891 1.00 0.00 O ATOM 1696 CB VAL B 54 0.812 7.796 6.512 1.00 0.00 C ATOM 1697 CG1 VAL B 54 0.585 6.968 5.247 1.00 0.00 C ATOM 1698 CG2 VAL B 54 2.106 8.595 6.323 1.00 0.00 C ATOM 0 H VAL B 54 -2.068 7.523 6.589 1.00 0.00 H new ATOM 0 HA VAL B 54 -0.013 9.315 7.740 1.00 0.00 H new ATOM 0 HB VAL B 54 0.891 7.105 7.351 1.00 0.00 H new ATOM 0 HG11 VAL B 54 1.462 6.351 5.054 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -0.287 6.328 5.383 1.00 0.00 H new ATOM 0 HG13 VAL B 54 0.417 7.635 4.401 1.00 0.00 H new ATOM 0 HG21 VAL B 54 2.916 7.917 6.052 1.00 0.00 H new ATOM 0 HG22 VAL B 54 1.967 9.330 5.530 1.00 0.00 H new ATOM 0 HG23 VAL B 54 2.357 9.106 7.252 1.00 0.00 H new ATOM 1708 N THR B 55 -0.224 10.922 5.855 1.00 0.00 N ATOM 1709 CA THR B 55 -0.477 12.002 4.883 1.00 0.00 C ATOM 1710 C THR B 55 0.832 12.727 4.511 1.00 0.00 C ATOM 1711 O THR B 55 1.663 12.967 5.393 1.00 0.00 O ATOM 1712 CB THR B 55 -1.542 12.980 5.425 1.00 0.00 C ATOM 1713 OG1 THR B 55 -2.739 12.301 5.741 1.00 0.00 O ATOM 1714 CG2 THR B 55 -1.925 14.081 4.435 1.00 0.00 C ATOM 0 H THR B 55 0.396 11.207 6.613 1.00 0.00 H new ATOM 0 HA THR B 55 -0.871 11.560 3.968 1.00 0.00 H new ATOM 0 HB THR B 55 -1.078 13.428 6.304 1.00 0.00 H new ATOM 0 HG1 THR B 55 -3.397 12.941 6.083 1.00 0.00 H new ATOM 0 HG21 THR B 55 -2.677 14.729 4.885 1.00 0.00 H new ATOM 0 HG22 THR B 55 -1.042 14.669 4.185 1.00 0.00 H new ATOM 0 HG23 THR B 55 -2.329 13.631 3.529 1.00 0.00 H new ATOM 1722 N GLU B 56 1.026 13.079 3.229 1.00 0.00 N ATOM 1723 CA GLU B 56 2.151 13.923 2.750 1.00 0.00 C ATOM 1724 C GLU B 56 2.131 15.328 3.362 1.00 0.00 C ATOM 1725 O GLU B 56 1.094 16.019 3.252 1.00 0.00 O ATOM 1726 CB GLU B 56 2.181 14.047 1.216 1.00 0.00 C ATOM 1727 CG GLU B 56 2.755 12.800 0.539 1.00 0.00 C ATOM 1728 CD GLU B 56 2.905 12.998 -0.966 1.00 0.00 C ATOM 1729 OE1 GLU B 56 3.534 13.994 -1.387 1.00 0.00 O ATOM 1730 OE2 GLU B 56 2.387 12.151 -1.727 1.00 0.00 O ATOM 1731 OXT GLU B 56 3.168 15.735 3.928 1.00 0.00 O ATOM 0 H GLU B 56 0.400 12.784 2.479 1.00 0.00 H new ATOM 0 HA GLU B 56 3.053 13.407 3.080 1.00 0.00 H new ATOM 0 HB2 GLU B 56 1.170 14.223 0.849 1.00 0.00 H new ATOM 0 HB3 GLU B 56 2.777 14.916 0.936 1.00 0.00 H new ATOM 0 HG2 GLU B 56 3.726 12.563 0.974 1.00 0.00 H new ATOM 0 HG3 GLU B 56 2.103 11.948 0.731 1.00 0.00 H new TER 1738 GLU B 56