USER MOD reduce.3.24.130724 H: found=0, std=0, add=1172, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1172 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: A 55 MET CE :methyl -108:sc= -2.12! (180deg=-4.24!) USER MOD Set 1.2: B 40 ASN : amide:sc= 0.98 K(o=0.014,f=-7.4) USER MOD Set 1.3: B 44 CYS SG : rot 105:sc= 1.15 USER MOD Set 2.1: B 23 MET CE :methyl 150:sc= -1.34 (180deg=-3.54!) USER MOD Set 2.2: B 42 HIS : no HD1:sc= -1.6! C(o=-2.9!,f=-4.1!) USER MOD Set 3.1: A 58 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 62 LYS NZ :NH3+ -154:sc= 1.25 (180deg=1.14) USER MOD Set 4.1: A 40 ASN : amide:sc= 0.835 K(o=2,f=-5.3!) USER MOD Set 4.2: A 44 CYS SG : rot 96:sc= 1.13 USER MOD Set 4.3: B 55 MET CE :methyl 144:sc= 0 (180deg=-0.00368) USER MOD Set 5.1: A 23 MET CE :methyl -149:sc= -7.27! (180deg=-7.15!) USER MOD Set 5.2: A 27 TYR OH : rot 155:sc= 0.0422 USER MOD Set 5.3: A 42 HIS : no HD1:sc= -0.588 K(o=-7.8,f=-5.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -151:sc= -3.68! (180deg=-4.56!) USER MOD Single : A 9 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.26) USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.0104 K(o=-0.01,f=-1.2!) USER MOD Single : A 17 THR OG1 : rot 74:sc= 0.35 USER MOD Single : A 25 MET CE :methyl -123:sc= 0 (180deg=-0.284) USER MOD Single : A 26 SER OG : rot 180:sc= 0.00977 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 32 ASN : amide:sc= -0.221 K(o=-0.22,f=-4.8!) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -29:sc= 1.21 USER MOD Single : A 57 THR OG1 : rot 59:sc= 0.369 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 3 SER OG : rot -153:sc= 0.117 USER MOD Single : B 4 LYS NZ :NH3+ -159:sc= -4.67! (180deg=-6.07!) USER MOD Single : B 9 GLN : amide:sc= -0.734 K(o=-0.73,f=0) USER MOD Single : B -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : B 17 THR OG1 : rot 76:sc= 1.27 USER MOD Single : B 25 MET CE :methyl 137:sc= -0.156 (180deg=-0.613) USER MOD Single : B 26 SER OG : rot 180:sc= 0.222 USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 28 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : B 32 ASN : amide:sc= 0.0631 K(o=0.063,f=-8.4!) USER MOD Single : B 33 ASN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : B 46 ASN : amide:sc= -0.017 K(o=-0.017,f=-2.2!) USER MOD Single : B 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 51 THR OG1 : rot -11:sc= 0.671 USER MOD Single : B 57 THR OG1 : rot 180:sc= -0.0912 USER MOD Single : B 58 SER OG : rot 56:sc= 1.18 USER MOD Single : B 62 LYS NZ :NH3+ 164:sc= 1.49 (180deg=0.4) USER MOD Single : B 64 SER OG : rot 160:sc= -0.42 USER MOD Single : B 68 TYR OH : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -21.199 -19.910 1.458 1.00 4.91 N ATOM 2 CA GLY A -1 -21.335 -19.869 2.932 1.00 4.20 C ATOM 3 C GLY A -1 -20.066 -19.401 3.612 1.00 3.49 C ATOM 4 O GLY A -1 -19.002 -19.993 3.418 1.00 3.95 O ATOM 0 H1 GLY A -1 -22.092 -20.236 1.036 1.00 4.91 H new ATOM 0 H2 GLY A -1 -20.976 -18.958 1.103 1.00 4.91 H new ATOM 0 H3 GLY A -1 -20.434 -20.565 1.198 1.00 4.91 H new ATOM 0 HA2 GLY A -1 -22.155 -19.204 3.201 1.00 4.20 H new ATOM 0 HA3 GLY A -1 -21.596 -20.862 3.299 1.00 4.20 H new ATOM 10 N ALA A 0 -20.188 -18.335 4.397 1.00 2.77 N ATOM 11 CA ALA A 0 -19.070 -17.752 5.135 1.00 2.34 C ATOM 12 C ALA A 0 -17.957 -17.295 4.200 1.00 1.88 C ATOM 13 O ALA A 0 -16.852 -17.844 4.193 1.00 2.13 O ATOM 14 CB ALA A 0 -18.538 -18.720 6.185 1.00 2.62 C ATOM 0 H ALA A 0 -21.072 -17.847 4.541 1.00 2.77 H new ATOM 0 HA ALA A 0 -19.448 -16.870 5.651 1.00 2.34 H new ATOM 0 HB1 ALA A 0 -17.707 -18.258 6.718 1.00 2.62 H new ATOM 0 HB2 ALA A 0 -19.332 -18.963 6.891 1.00 2.62 H new ATOM 0 HB3 ALA A 0 -18.194 -19.633 5.698 1.00 2.62 H new ATOM 20 N MET A 1 -18.266 -16.283 3.415 1.00 1.70 N ATOM 21 CA MET A 1 -17.279 -15.658 2.549 1.00 1.40 C ATOM 22 C MET A 1 -17.124 -14.195 2.949 1.00 1.10 C ATOM 23 O MET A 1 -18.088 -13.564 3.385 1.00 1.16 O ATOM 24 CB MET A 1 -17.673 -15.804 1.066 1.00 1.82 C ATOM 25 CG MET A 1 -18.933 -15.055 0.645 1.00 2.44 C ATOM 26 SD MET A 1 -18.624 -13.330 0.221 1.00 2.97 S ATOM 27 CE MET A 1 -20.218 -12.857 -0.444 1.00 3.26 C ATOM 0 H MET A 1 -19.198 -15.872 3.357 1.00 1.70 H new ATOM 0 HA MET A 1 -16.319 -16.160 2.669 1.00 1.40 H new ATOM 0 HB2 MET A 1 -16.842 -15.457 0.452 1.00 1.82 H new ATOM 0 HB3 MET A 1 -17.810 -16.863 0.847 1.00 1.82 H new ATOM 0 HG2 MET A 1 -19.378 -15.559 -0.213 1.00 2.44 H new ATOM 0 HG3 MET A 1 -19.662 -15.099 1.454 1.00 2.44 H new ATOM 0 HE1 MET A 1 -20.188 -11.812 -0.752 1.00 3.26 H new ATOM 0 HE2 MET A 1 -20.453 -13.483 -1.305 1.00 3.26 H new ATOM 0 HE3 MET A 1 -20.984 -12.988 0.320 1.00 3.26 H new ATOM 37 N PRO A 2 -15.900 -13.654 2.840 1.00 0.85 N ATOM 38 CA PRO A 2 -15.588 -12.291 3.281 1.00 0.63 C ATOM 39 C PRO A 2 -16.378 -11.235 2.520 1.00 0.57 C ATOM 40 O PRO A 2 -16.388 -11.213 1.286 1.00 0.68 O ATOM 41 CB PRO A 2 -14.089 -12.147 2.993 1.00 0.60 C ATOM 42 CG PRO A 2 -13.789 -13.191 1.977 1.00 0.79 C ATOM 43 CD PRO A 2 -14.724 -14.328 2.271 1.00 0.89 C ATOM 0 HA PRO A 2 -15.849 -12.140 4.329 1.00 0.63 H new ATOM 0 HB2 PRO A 2 -13.853 -11.151 2.617 1.00 0.60 H new ATOM 0 HB3 PRO A 2 -13.498 -12.295 3.897 1.00 0.60 H new ATOM 0 HG2 PRO A 2 -13.942 -12.810 0.967 1.00 0.79 H new ATOM 0 HG3 PRO A 2 -12.750 -13.513 2.042 1.00 0.79 H new ATOM 0 HD2 PRO A 2 -14.976 -14.886 1.369 1.00 0.89 H new ATOM 0 HD3 PRO A 2 -14.287 -15.038 2.973 1.00 0.89 H new ATOM 51 N SER A 3 -17.032 -10.360 3.268 1.00 0.51 N ATOM 52 CA SER A 3 -17.799 -9.280 2.683 1.00 0.45 C ATOM 53 C SER A 3 -16.868 -8.175 2.193 1.00 0.34 C ATOM 54 O SER A 3 -15.673 -8.180 2.500 1.00 0.30 O ATOM 55 CB SER A 3 -18.787 -8.712 3.709 1.00 0.50 C ATOM 56 OG SER A 3 -19.576 -9.735 4.294 1.00 0.72 O ATOM 0 H SER A 3 -17.044 -10.380 4.288 1.00 0.51 H new ATOM 0 HA SER A 3 -18.358 -9.674 1.834 1.00 0.45 H new ATOM 0 HB2 SER A 3 -18.239 -8.183 4.489 1.00 0.50 H new ATOM 0 HB3 SER A 3 -19.436 -7.982 3.225 1.00 0.50 H new ATOM 0 HG SER A 3 -20.194 -9.340 4.944 1.00 0.72 H new ATOM 62 N LYS A 4 -17.411 -7.234 1.439 1.00 0.32 N ATOM 63 CA LYS A 4 -16.643 -6.091 0.957 1.00 0.28 C ATOM 64 C LYS A 4 -15.945 -5.358 2.111 1.00 0.22 C ATOM 65 O LYS A 4 -14.862 -4.795 1.939 1.00 0.22 O ATOM 66 CB LYS A 4 -17.580 -5.138 0.209 1.00 0.36 C ATOM 67 CG LYS A 4 -18.177 -5.739 -1.059 1.00 0.88 C ATOM 68 CD LYS A 4 -19.401 -4.974 -1.560 1.00 0.88 C ATOM 69 CE LYS A 4 -19.081 -3.526 -1.908 1.00 0.40 C ATOM 70 NZ LYS A 4 -19.083 -2.645 -0.711 1.00 1.69 N ATOM 0 H LYS A 4 -18.387 -7.237 1.144 1.00 0.32 H new ATOM 0 HA LYS A 4 -15.866 -6.451 0.282 1.00 0.28 H new ATOM 0 HB2 LYS A 4 -18.389 -4.840 0.876 1.00 0.36 H new ATOM 0 HB3 LYS A 4 -17.032 -4.233 -0.051 1.00 0.36 H new ATOM 0 HG2 LYS A 4 -17.418 -5.752 -1.841 1.00 0.88 H new ATOM 0 HG3 LYS A 4 -18.456 -6.775 -0.868 1.00 0.88 H new ATOM 0 HD2 LYS A 4 -19.804 -5.475 -2.440 1.00 0.88 H new ATOM 0 HD3 LYS A 4 -20.178 -4.998 -0.796 1.00 0.88 H new ATOM 0 HE2 LYS A 4 -18.105 -3.478 -2.390 1.00 0.40 H new ATOM 0 HE3 LYS A 4 -19.811 -3.158 -2.629 1.00 0.40 H new ATOM 0 HZ1 LYS A 4 -19.351 -1.680 -0.991 1.00 1.69 H new ATOM 0 HZ2 LYS A 4 -19.766 -3.006 -0.015 1.00 1.69 H new ATOM 0 HZ3 LYS A 4 -18.133 -2.631 -0.288 1.00 1.69 H new ATOM 84 N LEU A 5 -16.567 -5.376 3.286 1.00 0.22 N ATOM 85 CA LEU A 5 -16.001 -4.733 4.464 1.00 0.22 C ATOM 86 C LEU A 5 -14.830 -5.529 5.024 1.00 0.22 C ATOM 87 O LEU A 5 -13.883 -4.951 5.553 1.00 0.24 O ATOM 88 CB LEU A 5 -17.085 -4.491 5.519 1.00 0.25 C ATOM 89 CG LEU A 5 -16.605 -3.984 6.880 1.00 0.29 C ATOM 90 CD1 LEU A 5 -17.579 -2.955 7.430 1.00 0.32 C ATOM 91 CD2 LEU A 5 -16.462 -5.135 7.864 1.00 0.34 C ATOM 0 H LEU A 5 -17.466 -5.831 3.446 1.00 0.22 H new ATOM 0 HA LEU A 5 -15.607 -3.762 4.166 1.00 0.22 H new ATOM 0 HB2 LEU A 5 -17.798 -3.771 5.118 1.00 0.25 H new ATOM 0 HB3 LEU A 5 -17.627 -5.424 5.673 1.00 0.25 H new ATOM 0 HG LEU A 5 -15.629 -3.518 6.745 1.00 0.29 H new ATOM 0 HD11 LEU A 5 -17.226 -2.602 8.399 1.00 0.32 H new ATOM 0 HD12 LEU A 5 -17.648 -2.114 6.740 1.00 0.32 H new ATOM 0 HD13 LEU A 5 -18.562 -3.410 7.546 1.00 0.32 H new ATOM 0 HD21 LEU A 5 -16.120 -4.752 8.825 1.00 0.34 H new ATOM 0 HD22 LEU A 5 -17.427 -5.626 7.992 1.00 0.34 H new ATOM 0 HD23 LEU A 5 -15.737 -5.853 7.481 1.00 0.34 H new ATOM 103 N ALA A 6 -14.890 -6.849 4.916 1.00 0.23 N ATOM 104 CA ALA A 6 -13.740 -7.672 5.256 1.00 0.24 C ATOM 105 C ALA A 6 -12.522 -7.207 4.468 1.00 0.22 C ATOM 106 O ALA A 6 -11.429 -7.094 5.015 1.00 0.24 O ATOM 107 CB ALA A 6 -14.026 -9.142 4.988 1.00 0.28 C ATOM 0 H ALA A 6 -15.710 -7.366 4.600 1.00 0.23 H new ATOM 0 HA ALA A 6 -13.534 -7.563 6.321 1.00 0.24 H new ATOM 0 HB1 ALA A 6 -13.151 -9.737 5.250 1.00 0.28 H new ATOM 0 HB2 ALA A 6 -14.876 -9.463 5.590 1.00 0.28 H new ATOM 0 HB3 ALA A 6 -14.256 -9.281 3.932 1.00 0.28 H new ATOM 113 N LEU A 7 -12.733 -6.897 3.189 1.00 0.20 N ATOM 114 CA LEU A 7 -11.654 -6.412 2.334 1.00 0.19 C ATOM 115 C LEU A 7 -11.134 -5.053 2.799 1.00 0.18 C ATOM 116 O LEU A 7 -9.936 -4.884 3.008 1.00 0.18 O ATOM 117 CB LEU A 7 -12.132 -6.274 0.886 1.00 0.20 C ATOM 118 CG LEU A 7 -12.169 -7.553 0.045 1.00 0.23 C ATOM 119 CD1 LEU A 7 -13.119 -8.587 0.632 1.00 0.26 C ATOM 120 CD2 LEU A 7 -12.573 -7.209 -1.375 1.00 0.25 C ATOM 0 H LEU A 7 -13.638 -6.973 2.725 1.00 0.20 H new ATOM 0 HA LEU A 7 -10.849 -7.145 2.397 1.00 0.19 H new ATOM 0 HB2 LEU A 7 -13.135 -5.847 0.899 1.00 0.20 H new ATOM 0 HB3 LEU A 7 -11.486 -5.555 0.382 1.00 0.20 H new ATOM 0 HG LEU A 7 -11.172 -7.993 0.047 1.00 0.23 H new ATOM 0 HD11 LEU A 7 -13.117 -9.480 0.006 1.00 0.26 H new ATOM 0 HD12 LEU A 7 -12.795 -8.849 1.639 1.00 0.26 H new ATOM 0 HD13 LEU A 7 -14.127 -8.174 0.671 1.00 0.26 H new ATOM 0 HD21 LEU A 7 -12.600 -8.118 -1.976 1.00 0.25 H new ATOM 0 HD22 LEU A 7 -13.560 -6.747 -1.371 1.00 0.25 H new ATOM 0 HD23 LEU A 7 -11.849 -6.514 -1.801 1.00 0.25 H new ATOM 132 N ILE A 8 -12.041 -4.093 2.976 1.00 0.17 N ATOM 133 CA ILE A 8 -11.649 -2.748 3.407 1.00 0.17 C ATOM 134 C ILE A 8 -10.954 -2.764 4.768 1.00 0.18 C ATOM 135 O ILE A 8 -10.036 -1.986 5.004 1.00 0.20 O ATOM 136 CB ILE A 8 -12.832 -1.734 3.389 1.00 0.18 C ATOM 137 CG1 ILE A 8 -14.048 -2.260 4.135 1.00 0.20 C ATOM 138 CG2 ILE A 8 -13.198 -1.367 1.963 1.00 0.19 C ATOM 139 CD1 ILE A 8 -14.124 -1.774 5.563 1.00 0.24 C ATOM 0 H ILE A 8 -13.043 -4.217 2.830 1.00 0.17 H new ATOM 0 HA ILE A 8 -10.927 -2.398 2.669 1.00 0.17 H new ATOM 0 HB ILE A 8 -12.497 -0.837 3.909 1.00 0.18 H new ATOM 0 HG12 ILE A 8 -14.951 -1.956 3.606 1.00 0.20 H new ATOM 0 HG13 ILE A 8 -14.027 -3.350 4.129 1.00 0.20 H new ATOM 0 HG21 ILE A 8 -14.026 -0.658 1.971 1.00 0.19 H new ATOM 0 HG22 ILE A 8 -12.337 -0.914 1.471 1.00 0.19 H new ATOM 0 HG23 ILE A 8 -13.494 -2.265 1.421 1.00 0.19 H new ATOM 0 HD11 ILE A 8 -15.014 -2.185 6.040 1.00 0.24 H new ATOM 0 HD12 ILE A 8 -13.237 -2.101 6.106 1.00 0.24 H new ATOM 0 HD13 ILE A 8 -14.176 -0.685 5.575 1.00 0.24 H new ATOM 151 N GLN A 9 -11.376 -3.655 5.656 1.00 0.19 N ATOM 152 CA GLN A 9 -10.752 -3.759 6.971 1.00 0.21 C ATOM 153 C GLN A 9 -9.376 -4.420 6.897 1.00 0.22 C ATOM 154 O GLN A 9 -8.460 -4.028 7.613 1.00 0.24 O ATOM 155 CB GLN A 9 -11.649 -4.533 7.938 1.00 0.22 C ATOM 156 CG GLN A 9 -12.856 -3.741 8.414 1.00 0.29 C ATOM 157 CD GLN A 9 -12.467 -2.529 9.239 1.00 0.90 C ATOM 158 OE1 GLN A 9 -12.340 -2.607 10.458 1.00 1.82 O ATOM 159 NE2 GLN A 9 -12.275 -1.399 8.580 1.00 1.37 N ATOM 0 H GLN A 9 -12.140 -4.311 5.493 1.00 0.19 H new ATOM 0 HA GLN A 9 -10.619 -2.743 7.343 1.00 0.21 H new ATOM 0 HB2 GLN A 9 -11.993 -5.445 7.451 1.00 0.22 H new ATOM 0 HB3 GLN A 9 -11.060 -4.837 8.803 1.00 0.22 H new ATOM 0 HG2 GLN A 9 -13.438 -3.417 7.551 1.00 0.29 H new ATOM 0 HG3 GLN A 9 -13.501 -4.389 9.008 1.00 0.29 H new ATOM 0 HE21 GLN A 9 -12.390 -1.374 7.567 1.00 1.37 H new ATOM 0 HE22 GLN A 9 -12.012 -0.553 9.085 1.00 1.37 H new ATOM 168 N GLU A 10 -9.239 -5.433 6.056 1.00 0.21 N ATOM 169 CA GLU A 10 -7.972 -6.149 5.931 1.00 0.23 C ATOM 170 C GLU A 10 -6.943 -5.389 5.104 1.00 0.21 C ATOM 171 O GLU A 10 -5.759 -5.691 5.198 1.00 0.22 O ATOM 172 CB GLU A 10 -8.162 -7.568 5.388 1.00 0.25 C ATOM 173 CG GLU A 10 -8.536 -7.640 3.920 1.00 0.24 C ATOM 174 CD GLU A 10 -8.534 -9.062 3.407 1.00 0.39 C ATOM 175 OE1 GLU A 10 -7.443 -9.570 3.064 1.00 1.11 O ATOM 176 OE2 GLU A 10 -9.610 -9.687 3.361 1.00 1.15 O ATOM 0 H GLU A 10 -9.984 -5.779 5.451 1.00 0.21 H new ATOM 0 HA GLU A 10 -7.578 -6.227 6.944 1.00 0.23 H new ATOM 0 HB2 GLU A 10 -7.239 -8.128 5.542 1.00 0.25 H new ATOM 0 HB3 GLU A 10 -8.937 -8.065 5.971 1.00 0.25 H new ATOM 0 HG2 GLU A 10 -9.524 -7.203 3.775 1.00 0.24 H new ATOM 0 HG3 GLU A 10 -7.835 -7.043 3.337 1.00 0.24 H new ATOM 183 N LEU A 11 -7.392 -4.463 4.256 1.00 0.18 N ATOM 184 CA LEU A 11 -6.477 -3.651 3.439 1.00 0.18 C ATOM 185 C LEU A 11 -5.240 -3.188 4.234 1.00 0.18 C ATOM 186 O LEU A 11 -4.116 -3.361 3.762 1.00 0.17 O ATOM 187 CB LEU A 11 -7.194 -2.437 2.828 1.00 0.19 C ATOM 188 CG LEU A 11 -8.296 -2.759 1.819 1.00 0.20 C ATOM 189 CD1 LEU A 11 -8.911 -1.479 1.282 1.00 0.26 C ATOM 190 CD2 LEU A 11 -7.754 -3.607 0.681 1.00 0.25 C ATOM 0 H LEU A 11 -8.380 -4.254 4.114 1.00 0.18 H new ATOM 0 HA LEU A 11 -6.134 -4.297 2.631 1.00 0.18 H new ATOM 0 HB2 LEU A 11 -7.627 -1.849 3.637 1.00 0.19 H new ATOM 0 HB3 LEU A 11 -6.451 -1.807 2.339 1.00 0.19 H new ATOM 0 HG LEU A 11 -9.071 -3.330 2.329 1.00 0.20 H new ATOM 0 HD11 LEU A 11 -9.694 -1.725 0.565 1.00 0.26 H new ATOM 0 HD12 LEU A 11 -9.339 -0.908 2.106 1.00 0.26 H new ATOM 0 HD13 LEU A 11 -8.142 -0.884 0.790 1.00 0.26 H new ATOM 0 HD21 LEU A 11 -8.556 -3.824 -0.025 1.00 0.25 H new ATOM 0 HD22 LEU A 11 -6.958 -3.065 0.171 1.00 0.25 H new ATOM 0 HD23 LEU A 11 -7.359 -4.541 1.080 1.00 0.25 H new ATOM 202 N PRO A 12 -5.411 -2.594 5.445 1.00 0.21 N ATOM 203 CA PRO A 12 -4.278 -2.215 6.301 1.00 0.25 C ATOM 204 C PRO A 12 -3.309 -3.367 6.578 1.00 0.26 C ATOM 205 O PRO A 12 -2.094 -3.176 6.593 1.00 0.28 O ATOM 206 CB PRO A 12 -4.940 -1.755 7.599 1.00 0.30 C ATOM 207 CG PRO A 12 -6.290 -1.295 7.185 1.00 0.27 C ATOM 208 CD PRO A 12 -6.697 -2.190 6.052 1.00 0.22 C ATOM 0 HA PRO A 12 -3.665 -1.453 5.820 1.00 0.25 H new ATOM 0 HB2 PRO A 12 -5.002 -2.568 8.323 1.00 0.30 H new ATOM 0 HB3 PRO A 12 -4.374 -0.951 8.070 1.00 0.30 H new ATOM 0 HG2 PRO A 12 -6.997 -1.364 8.012 1.00 0.27 H new ATOM 0 HG3 PRO A 12 -6.268 -0.252 6.871 1.00 0.27 H new ATOM 0 HD2 PRO A 12 -7.261 -3.053 6.406 1.00 0.22 H new ATOM 0 HD3 PRO A 12 -7.331 -1.667 5.336 1.00 0.22 H new ATOM 216 N ASP A 13 -3.850 -4.559 6.778 1.00 0.26 N ATOM 217 CA ASP A 13 -3.038 -5.738 7.065 1.00 0.29 C ATOM 218 C ASP A 13 -2.351 -6.227 5.797 1.00 0.25 C ATOM 219 O ASP A 13 -1.181 -6.609 5.811 1.00 0.26 O ATOM 220 CB ASP A 13 -3.903 -6.856 7.657 1.00 0.36 C ATOM 221 CG ASP A 13 -4.339 -6.576 9.084 1.00 0.98 C ATOM 222 OD1 ASP A 13 -4.945 -5.514 9.336 1.00 1.86 O ATOM 223 OD2 ASP A 13 -4.077 -7.426 9.962 1.00 1.40 O ATOM 0 H ASP A 13 -4.854 -4.739 6.747 1.00 0.26 H new ATOM 0 HA ASP A 13 -2.278 -5.462 7.795 1.00 0.29 H new ATOM 0 HB2 ASP A 13 -4.786 -6.993 7.033 1.00 0.36 H new ATOM 0 HB3 ASP A 13 -3.345 -7.792 7.630 1.00 0.36 H new ATOM 228 N ARG A 14 -3.099 -6.224 4.703 1.00 0.22 N ATOM 229 CA ARG A 14 -2.547 -6.539 3.391 1.00 0.22 C ATOM 230 C ARG A 14 -1.381 -5.630 3.058 1.00 0.20 C ATOM 231 O ARG A 14 -0.363 -6.086 2.558 1.00 0.22 O ATOM 232 CB ARG A 14 -3.611 -6.409 2.304 1.00 0.28 C ATOM 233 CG ARG A 14 -4.509 -7.620 2.163 1.00 0.53 C ATOM 234 CD ARG A 14 -5.548 -7.395 1.078 1.00 0.50 C ATOM 235 NE ARG A 14 -6.361 -8.584 0.834 1.00 0.95 N ATOM 236 CZ ARG A 14 -6.693 -9.020 -0.382 1.00 0.72 C ATOM 237 NH1 ARG A 14 -6.289 -8.354 -1.458 1.00 1.08 N ATOM 238 NH2 ARG A 14 -7.421 -10.122 -0.515 1.00 1.15 N ATOM 0 H ARG A 14 -4.095 -6.006 4.697 1.00 0.22 H new ATOM 0 HA ARG A 14 -2.196 -7.570 3.427 1.00 0.22 H new ATOM 0 HB2 ARG A 14 -4.228 -5.537 2.519 1.00 0.28 H new ATOM 0 HB3 ARG A 14 -3.118 -6.224 1.350 1.00 0.28 H new ATOM 0 HG2 ARG A 14 -3.909 -8.498 1.922 1.00 0.53 H new ATOM 0 HG3 ARG A 14 -5.005 -7.823 3.112 1.00 0.53 H new ATOM 0 HD2 ARG A 14 -6.196 -6.567 1.365 1.00 0.50 H new ATOM 0 HD3 ARG A 14 -5.048 -7.103 0.154 1.00 0.50 H new ATOM 0 HE ARG A 14 -6.694 -9.112 1.641 1.00 0.95 H new ATOM 0 HH11 ARG A 14 -5.726 -7.510 -1.354 1.00 1.08 H new ATOM 0 HH12 ARG A 14 -6.542 -8.686 -2.388 1.00 1.08 H new ATOM 0 HH21 ARG A 14 -7.726 -10.635 0.312 1.00 1.15 H new ATOM 0 HH22 ARG A 14 -7.675 -10.456 -1.445 1.00 1.15 H new ATOM 252 N ILE A 15 -1.533 -4.346 3.334 1.00 0.19 N ATOM 253 CA ILE A 15 -0.482 -3.381 3.056 1.00 0.20 C ATOM 254 C ILE A 15 0.637 -3.494 4.085 1.00 0.21 C ATOM 255 O ILE A 15 1.802 -3.259 3.774 1.00 0.21 O ATOM 256 CB ILE A 15 -1.040 -1.947 2.962 1.00 0.24 C ATOM 257 CG1 ILE A 15 -0.401 -1.225 1.766 1.00 0.26 C ATOM 258 CG2 ILE A 15 -0.848 -1.166 4.254 1.00 0.25 C ATOM 259 CD1 ILE A 15 0.997 -0.695 2.000 1.00 0.25 C ATOM 0 H ILE A 15 -2.374 -3.947 3.751 1.00 0.19 H new ATOM 0 HA ILE A 15 -0.057 -3.614 2.080 1.00 0.20 H new ATOM 0 HB ILE A 15 -2.117 -2.010 2.805 1.00 0.24 H new ATOM 0 HG12 ILE A 15 -0.374 -1.912 0.920 1.00 0.26 H new ATOM 0 HG13 ILE A 15 -1.044 -0.393 1.480 1.00 0.26 H new ATOM 0 HG21 ILE A 15 -1.257 -0.163 4.137 1.00 0.25 H new ATOM 0 HG22 ILE A 15 -1.364 -1.676 5.067 1.00 0.25 H new ATOM 0 HG23 ILE A 15 0.215 -1.099 4.484 1.00 0.25 H new ATOM 0 HD11 ILE A 15 1.356 -0.204 1.096 1.00 0.25 H new ATOM 0 HD12 ILE A 15 0.982 0.022 2.821 1.00 0.25 H new ATOM 0 HD13 ILE A 15 1.662 -1.521 2.252 1.00 0.25 H new ATOM 271 N GLN A 16 0.282 -3.874 5.304 1.00 0.23 N ATOM 272 CA GLN A 16 1.279 -4.207 6.307 1.00 0.26 C ATOM 273 C GLN A 16 2.165 -5.324 5.770 1.00 0.25 C ATOM 274 O GLN A 16 3.365 -5.355 6.016 1.00 0.29 O ATOM 275 CB GLN A 16 0.604 -4.657 7.602 1.00 0.33 C ATOM 276 CG GLN A 16 1.577 -5.158 8.660 1.00 0.78 C ATOM 277 CD GLN A 16 0.887 -5.893 9.792 1.00 1.16 C ATOM 278 OE1 GLN A 16 -0.152 -6.519 9.598 1.00 1.70 O ATOM 279 NE2 GLN A 16 1.470 -5.832 10.980 1.00 1.91 N ATOM 0 H GLN A 16 -0.684 -3.959 5.620 1.00 0.23 H new ATOM 0 HA GLN A 16 1.882 -3.325 6.523 1.00 0.26 H new ATOM 0 HB2 GLN A 16 0.033 -3.824 8.012 1.00 0.33 H new ATOM 0 HB3 GLN A 16 -0.109 -5.449 7.373 1.00 0.33 H new ATOM 0 HG2 GLN A 16 2.305 -5.821 8.193 1.00 0.78 H new ATOM 0 HG3 GLN A 16 2.131 -4.312 9.067 1.00 0.78 H new ATOM 0 HE21 GLN A 16 2.333 -5.301 11.098 1.00 1.91 H new ATOM 0 HE22 GLN A 16 1.056 -6.316 11.777 1.00 1.91 H new ATOM 288 N THR A 17 1.553 -6.218 5.008 1.00 0.23 N ATOM 289 CA THR A 17 2.256 -7.320 4.377 1.00 0.25 C ATOM 290 C THR A 17 2.935 -6.875 3.078 1.00 0.22 C ATOM 291 O THR A 17 4.001 -7.373 2.720 1.00 0.27 O ATOM 292 CB THR A 17 1.275 -8.481 4.107 1.00 0.30 C ATOM 293 OG1 THR A 17 0.708 -8.932 5.346 1.00 0.38 O ATOM 294 CG2 THR A 17 1.952 -9.644 3.406 1.00 0.32 C ATOM 0 H THR A 17 0.552 -6.198 4.811 1.00 0.23 H new ATOM 0 HA THR A 17 3.037 -7.663 5.056 1.00 0.25 H new ATOM 0 HB THR A 17 0.491 -8.106 3.449 1.00 0.30 H new ATOM 0 HG1 THR A 17 0.049 -8.278 5.661 1.00 0.38 H new ATOM 0 HG21 THR A 17 1.226 -10.439 3.235 1.00 0.32 H new ATOM 0 HG22 THR A 17 2.354 -9.308 2.450 1.00 0.32 H new ATOM 0 HG23 THR A 17 2.763 -10.021 4.028 1.00 0.32 H new ATOM 302 N ALA A 18 2.316 -5.928 2.386 1.00 0.22 N ATOM 303 CA ALA A 18 2.902 -5.326 1.196 1.00 0.23 C ATOM 304 C ALA A 18 4.233 -4.677 1.538 1.00 0.24 C ATOM 305 O ALA A 18 5.140 -4.606 0.715 1.00 0.29 O ATOM 306 CB ALA A 18 1.951 -4.292 0.608 1.00 0.26 C ATOM 0 H ALA A 18 1.398 -5.557 2.632 1.00 0.22 H new ATOM 0 HA ALA A 18 3.072 -6.108 0.456 1.00 0.23 H new ATOM 0 HB1 ALA A 18 2.400 -3.849 -0.281 1.00 0.26 H new ATOM 0 HB2 ALA A 18 1.011 -4.774 0.338 1.00 0.26 H new ATOM 0 HB3 ALA A 18 1.760 -3.512 1.345 1.00 0.26 H new ATOM 312 N VAL A 19 4.334 -4.218 2.771 1.00 0.24 N ATOM 313 CA VAL A 19 5.461 -3.411 3.186 1.00 0.29 C ATOM 314 C VAL A 19 6.359 -4.081 4.244 1.00 0.23 C ATOM 315 O VAL A 19 7.491 -3.642 4.453 1.00 0.27 O ATOM 316 CB VAL A 19 4.925 -2.061 3.697 1.00 0.49 C ATOM 317 CG1 VAL A 19 6.021 -1.170 4.195 1.00 1.09 C ATOM 318 CG2 VAL A 19 4.149 -1.361 2.600 1.00 1.77 C ATOM 0 H VAL A 19 3.646 -4.392 3.503 1.00 0.24 H new ATOM 0 HA VAL A 19 6.106 -3.274 2.318 1.00 0.29 H new ATOM 0 HB VAL A 19 4.265 -2.271 4.538 1.00 0.49 H new ATOM 0 HG11 VAL A 19 5.595 -0.230 4.545 1.00 1.09 H new ATOM 0 HG12 VAL A 19 6.543 -1.660 5.017 1.00 1.09 H new ATOM 0 HG13 VAL A 19 6.724 -0.971 3.386 1.00 1.09 H new ATOM 0 HG21 VAL A 19 3.774 -0.407 2.971 1.00 1.77 H new ATOM 0 HG22 VAL A 19 4.804 -1.186 1.746 1.00 1.77 H new ATOM 0 HG23 VAL A 19 3.310 -1.986 2.292 1.00 1.77 H new ATOM 328 N GLU A 20 5.891 -5.156 4.882 1.00 0.22 N ATOM 329 CA GLU A 20 6.647 -5.780 5.980 1.00 0.25 C ATOM 330 C GLU A 20 8.062 -6.177 5.551 1.00 0.26 C ATOM 331 O GLU A 20 9.000 -6.130 6.350 1.00 0.30 O ATOM 332 CB GLU A 20 5.890 -6.984 6.575 1.00 0.28 C ATOM 333 CG GLU A 20 5.402 -8.029 5.572 1.00 0.30 C ATOM 334 CD GLU A 20 6.495 -8.946 5.059 1.00 0.96 C ATOM 335 OE1 GLU A 20 7.138 -9.635 5.875 1.00 1.32 O ATOM 336 OE2 GLU A 20 6.703 -8.995 3.829 1.00 1.93 O ATOM 0 H GLU A 20 5.004 -5.611 4.664 1.00 0.22 H new ATOM 0 HA GLU A 20 6.745 -5.027 6.762 1.00 0.25 H new ATOM 0 HB2 GLU A 20 6.542 -7.478 7.296 1.00 0.28 H new ATOM 0 HB3 GLU A 20 5.029 -6.609 7.128 1.00 0.28 H new ATOM 0 HG2 GLU A 20 4.625 -8.633 6.041 1.00 0.30 H new ATOM 0 HG3 GLU A 20 4.942 -7.519 4.726 1.00 0.30 H new ATOM 343 N ALA A 21 8.189 -6.570 4.297 1.00 0.28 N ATOM 344 CA ALA A 21 9.487 -6.889 3.718 1.00 0.32 C ATOM 345 C ALA A 21 10.451 -5.710 3.843 1.00 0.30 C ATOM 346 O ALA A 21 11.561 -5.855 4.349 1.00 0.31 O ATOM 347 CB ALA A 21 9.326 -7.288 2.263 1.00 0.40 C ATOM 0 H ALA A 21 7.405 -6.677 3.654 1.00 0.28 H new ATOM 0 HA ALA A 21 9.909 -7.728 4.271 1.00 0.32 H new ATOM 0 HB1 ALA A 21 10.303 -7.524 1.840 1.00 0.40 H new ATOM 0 HB2 ALA A 21 8.680 -8.163 2.195 1.00 0.40 H new ATOM 0 HB3 ALA A 21 8.880 -6.464 1.707 1.00 0.40 H new ATOM 353 N ALA A 22 10.011 -4.543 3.396 1.00 0.28 N ATOM 354 CA ALA A 22 10.834 -3.342 3.452 1.00 0.29 C ATOM 355 C ALA A 22 10.946 -2.798 4.872 1.00 0.31 C ATOM 356 O ALA A 22 11.961 -2.214 5.243 1.00 0.35 O ATOM 357 CB ALA A 22 10.294 -2.286 2.511 1.00 0.30 C ATOM 0 H ALA A 22 9.086 -4.401 2.989 1.00 0.28 H new ATOM 0 HA ALA A 22 11.839 -3.615 3.130 1.00 0.29 H new ATOM 0 HB1 ALA A 22 10.920 -1.396 2.565 1.00 0.30 H new ATOM 0 HB2 ALA A 22 10.298 -2.671 1.491 1.00 0.30 H new ATOM 0 HB3 ALA A 22 9.274 -2.030 2.798 1.00 0.30 H new ATOM 363 N MET A 23 9.894 -2.972 5.661 1.00 0.30 N ATOM 364 CA MET A 23 9.917 -2.540 7.054 1.00 0.35 C ATOM 365 C MET A 23 11.010 -3.272 7.814 1.00 0.40 C ATOM 366 O MET A 23 11.773 -2.664 8.567 1.00 0.46 O ATOM 367 CB MET A 23 8.570 -2.785 7.733 1.00 0.33 C ATOM 368 CG MET A 23 7.440 -1.887 7.253 1.00 0.38 C ATOM 369 SD MET A 23 7.716 -0.135 7.589 1.00 0.72 S ATOM 370 CE MET A 23 8.589 0.371 6.112 1.00 0.53 C ATOM 0 H MET A 23 9.020 -3.406 5.364 1.00 0.30 H new ATOM 0 HA MET A 23 10.120 -1.469 7.066 1.00 0.35 H new ATOM 0 HB2 MET A 23 8.282 -3.824 7.573 1.00 0.33 H new ATOM 0 HB3 MET A 23 8.691 -2.650 8.808 1.00 0.33 H new ATOM 0 HG2 MET A 23 7.308 -2.026 6.180 1.00 0.38 H new ATOM 0 HG3 MET A 23 6.512 -2.198 7.732 1.00 0.38 H new ATOM 0 HE1 MET A 23 9.279 1.179 6.356 1.00 0.53 H new ATOM 0 HE2 MET A 23 9.148 -0.475 5.712 1.00 0.53 H new ATOM 0 HE3 MET A 23 7.873 0.718 5.367 1.00 0.53 H new ATOM 380 N GLY A 24 11.073 -4.583 7.614 1.00 0.40 N ATOM 381 CA GLY A 24 12.107 -5.384 8.234 1.00 0.48 C ATOM 382 C GLY A 24 13.384 -5.439 7.416 1.00 0.46 C ATOM 383 O GLY A 24 14.248 -6.289 7.666 1.00 0.57 O ATOM 0 H GLY A 24 10.421 -5.107 7.030 1.00 0.40 H new ATOM 0 HA2 GLY A 24 12.331 -4.978 9.220 1.00 0.48 H new ATOM 0 HA3 GLY A 24 11.734 -6.397 8.383 1.00 0.48 H new ATOM 387 N MET A 25 13.510 -4.547 6.436 1.00 0.44 N ATOM 388 CA MET A 25 14.728 -4.460 5.640 1.00 0.46 C ATOM 389 C MET A 25 15.869 -3.948 6.508 1.00 0.48 C ATOM 390 O MET A 25 15.702 -3.004 7.277 1.00 0.57 O ATOM 391 CB MET A 25 14.525 -3.558 4.406 1.00 0.56 C ATOM 392 CG MET A 25 15.779 -3.374 3.566 1.00 0.53 C ATOM 393 SD MET A 25 15.446 -3.094 1.816 1.00 1.04 S ATOM 394 CE MET A 25 14.736 -1.456 1.869 1.00 0.76 C ATOM 0 H MET A 25 12.786 -3.877 6.176 1.00 0.44 H new ATOM 0 HA MET A 25 14.980 -5.456 5.275 1.00 0.46 H new ATOM 0 HB2 MET A 25 13.740 -3.984 3.781 1.00 0.56 H new ATOM 0 HB3 MET A 25 14.174 -2.580 4.736 1.00 0.56 H new ATOM 0 HG2 MET A 25 16.347 -2.531 3.958 1.00 0.53 H new ATOM 0 HG3 MET A 25 16.408 -4.258 3.670 1.00 0.53 H new ATOM 0 HE1 MET A 25 13.744 -1.475 1.418 1.00 0.76 H new ATOM 0 HE2 MET A 25 14.658 -1.127 2.905 1.00 0.76 H new ATOM 0 HE3 MET A 25 15.373 -0.765 1.316 1.00 0.76 H new ATOM 404 N SER A 26 17.010 -4.613 6.410 1.00 0.54 N ATOM 405 CA SER A 26 18.178 -4.276 7.208 1.00 0.65 C ATOM 406 C SER A 26 18.708 -2.890 6.856 1.00 0.79 C ATOM 407 O SER A 26 18.723 -1.991 7.691 1.00 1.68 O ATOM 408 CB SER A 26 19.256 -5.323 6.966 1.00 0.79 C ATOM 409 OG SER A 26 18.697 -6.625 6.970 1.00 1.67 O ATOM 0 H SER A 26 17.152 -5.400 5.776 1.00 0.54 H new ATOM 0 HA SER A 26 17.895 -4.264 8.260 1.00 0.65 H new ATOM 0 HB2 SER A 26 19.745 -5.135 6.010 1.00 0.79 H new ATOM 0 HB3 SER A 26 20.023 -5.248 7.737 1.00 0.79 H new ATOM 0 HG SER A 26 19.404 -7.285 6.811 1.00 1.67 H new ATOM 415 N TYR A 27 19.177 -2.767 5.609 1.00 0.54 N ATOM 416 CA TYR A 27 19.640 -1.510 4.997 1.00 0.44 C ATOM 417 C TYR A 27 20.735 -0.796 5.798 1.00 0.43 C ATOM 418 O TYR A 27 21.151 0.298 5.431 1.00 0.40 O ATOM 419 CB TYR A 27 18.461 -0.558 4.675 1.00 0.40 C ATOM 420 CG TYR A 27 17.819 0.168 5.850 1.00 0.38 C ATOM 421 CD1 TYR A 27 18.402 1.310 6.384 1.00 1.19 C ATOM 422 CD2 TYR A 27 16.621 -0.271 6.405 1.00 1.31 C ATOM 423 CE1 TYR A 27 17.821 1.994 7.433 1.00 1.24 C ATOM 424 CE2 TYR A 27 16.033 0.405 7.459 1.00 1.32 C ATOM 425 CZ TYR A 27 16.636 1.538 7.969 1.00 0.50 C ATOM 426 OH TYR A 27 16.047 2.219 9.015 1.00 0.61 O ATOM 0 H TYR A 27 19.248 -3.563 4.975 1.00 0.54 H new ATOM 0 HA TYR A 27 20.106 -1.802 4.056 1.00 0.44 H new ATOM 0 HB2 TYR A 27 18.814 0.191 3.966 1.00 0.40 H new ATOM 0 HB3 TYR A 27 17.687 -1.136 4.170 1.00 0.40 H new ATOM 0 HD1 TYR A 27 19.331 1.671 5.969 1.00 1.19 H new ATOM 0 HD2 TYR A 27 16.143 -1.153 6.007 1.00 1.31 H new ATOM 0 HE1 TYR A 27 18.292 2.881 7.831 1.00 1.24 H new ATOM 0 HE2 TYR A 27 15.105 0.048 7.882 1.00 1.32 H new ATOM 0 HH TYR A 27 15.082 2.049 9.014 1.00 0.61 H new ATOM 436 N GLN A 28 21.243 -1.430 6.848 1.00 0.55 N ATOM 437 CA GLN A 28 22.277 -0.816 7.671 1.00 0.63 C ATOM 438 C GLN A 28 23.653 -1.365 7.311 1.00 0.66 C ATOM 439 O GLN A 28 24.618 -1.214 8.058 1.00 0.77 O ATOM 440 CB GLN A 28 21.985 -1.012 9.159 1.00 0.74 C ATOM 441 CG GLN A 28 21.922 -2.463 9.596 1.00 1.35 C ATOM 442 CD GLN A 28 21.626 -2.598 11.075 1.00 1.68 C ATOM 443 OE1 GLN A 28 21.981 -1.731 11.875 1.00 2.31 O ATOM 444 NE2 GLN A 28 20.978 -3.686 11.449 1.00 1.92 N ATOM 0 H GLN A 28 20.958 -2.362 7.148 1.00 0.55 H new ATOM 0 HA GLN A 28 22.275 0.255 7.468 1.00 0.63 H new ATOM 0 HB2 GLN A 28 22.755 -0.503 9.739 1.00 0.74 H new ATOM 0 HB3 GLN A 28 21.036 -0.531 9.398 1.00 0.74 H new ATOM 0 HG2 GLN A 28 21.152 -2.981 9.024 1.00 1.35 H new ATOM 0 HG3 GLN A 28 22.870 -2.951 9.370 1.00 1.35 H new ATOM 0 HE21 GLN A 28 20.702 -4.380 10.754 1.00 1.92 H new ATOM 0 HE22 GLN A 28 20.753 -3.833 12.433 1.00 1.92 H new ATOM 453 N ASP A 29 23.733 -2.017 6.162 1.00 0.68 N ATOM 454 CA ASP A 29 25.015 -2.425 5.605 1.00 0.81 C ATOM 455 C ASP A 29 25.448 -1.384 4.582 1.00 0.70 C ATOM 456 O ASP A 29 26.469 -1.513 3.908 1.00 0.86 O ATOM 457 CB ASP A 29 24.907 -3.811 4.963 1.00 0.95 C ATOM 458 CG ASP A 29 26.262 -4.401 4.630 1.00 1.66 C ATOM 459 OD1 ASP A 29 27.135 -4.423 5.522 1.00 2.34 O ATOM 460 OD2 ASP A 29 26.451 -4.868 3.487 1.00 2.31 O ATOM 0 H ASP A 29 22.925 -2.276 5.596 1.00 0.68 H new ATOM 0 HA ASP A 29 25.760 -2.491 6.398 1.00 0.81 H new ATOM 0 HB2 ASP A 29 24.378 -4.482 5.640 1.00 0.95 H new ATOM 0 HB3 ASP A 29 24.311 -3.741 4.053 1.00 0.95 H new ATOM 465 N ALA A 30 24.643 -0.334 4.503 1.00 0.55 N ATOM 466 CA ALA A 30 24.852 0.751 3.566 1.00 0.48 C ATOM 467 C ALA A 30 25.175 2.041 4.318 1.00 0.44 C ATOM 468 O ALA A 30 24.802 2.180 5.484 1.00 0.47 O ATOM 469 CB ALA A 30 23.600 0.922 2.715 1.00 0.47 C ATOM 0 H ALA A 30 23.821 -0.214 5.094 1.00 0.55 H new ATOM 0 HA ALA A 30 25.696 0.519 2.917 1.00 0.48 H new ATOM 0 HB1 ALA A 30 23.750 1.737 2.007 1.00 0.47 H new ATOM 0 HB2 ALA A 30 23.402 -0.001 2.169 1.00 0.47 H new ATOM 0 HB3 ALA A 30 22.751 1.152 3.359 1.00 0.47 H new ATOM 475 N PRO A 31 25.904 2.985 3.681 1.00 0.45 N ATOM 476 CA PRO A 31 26.194 4.298 4.262 1.00 0.48 C ATOM 477 C PRO A 31 24.984 4.978 4.878 1.00 0.41 C ATOM 478 O PRO A 31 23.846 4.698 4.500 1.00 0.34 O ATOM 479 CB PRO A 31 26.660 5.128 3.080 1.00 0.57 C ATOM 480 CG PRO A 31 27.230 4.150 2.113 1.00 0.56 C ATOM 481 CD PRO A 31 26.551 2.824 2.367 1.00 0.50 C ATOM 0 HA PRO A 31 26.917 4.195 5.071 1.00 0.48 H new ATOM 0 HB2 PRO A 31 25.832 5.682 2.637 1.00 0.57 H new ATOM 0 HB3 PRO A 31 27.407 5.861 3.384 1.00 0.57 H new ATOM 0 HG2 PRO A 31 27.060 4.479 1.088 1.00 0.56 H new ATOM 0 HG3 PRO A 31 28.308 4.062 2.245 1.00 0.56 H new ATOM 0 HD2 PRO A 31 25.821 2.597 1.590 1.00 0.50 H new ATOM 0 HD3 PRO A 31 27.271 2.005 2.377 1.00 0.50 H new ATOM 489 N ASN A 32 25.233 5.892 5.790 1.00 0.45 N ATOM 490 CA ASN A 32 24.168 6.563 6.516 1.00 0.41 C ATOM 491 C ASN A 32 23.151 7.220 5.580 1.00 0.38 C ATOM 492 O ASN A 32 21.962 6.965 5.688 1.00 0.37 O ATOM 493 CB ASN A 32 24.746 7.594 7.492 1.00 0.50 C ATOM 494 CG ASN A 32 25.526 8.716 6.824 1.00 1.48 C ATOM 495 OD1 ASN A 32 26.162 8.528 5.786 1.00 2.40 O ATOM 496 ND2 ASN A 32 25.466 9.900 7.411 1.00 1.87 N ATOM 0 H ASN A 32 26.172 6.192 6.051 1.00 0.45 H new ATOM 0 HA ASN A 32 23.636 5.799 7.083 1.00 0.41 H new ATOM 0 HB2 ASN A 32 23.930 8.028 8.070 1.00 0.50 H new ATOM 0 HB3 ASN A 32 25.400 7.082 8.198 1.00 0.50 H new ATOM 0 HD21 ASN A 32 25.957 10.696 7.004 1.00 1.87 H new ATOM 0 HD22 ASN A 32 24.929 10.017 8.270 1.00 1.87 H new ATOM 503 N ASN A 33 23.605 8.027 4.639 1.00 0.42 N ATOM 504 CA ASN A 33 22.683 8.778 3.794 1.00 0.45 C ATOM 505 C ASN A 33 21.939 7.880 2.807 1.00 0.41 C ATOM 506 O ASN A 33 20.755 8.094 2.548 1.00 0.40 O ATOM 507 CB ASN A 33 23.413 9.912 3.078 1.00 0.58 C ATOM 508 CG ASN A 33 22.699 10.403 1.832 1.00 1.43 C ATOM 509 OD1 ASN A 33 22.952 9.922 0.725 1.00 2.14 O ATOM 510 ND2 ASN A 33 21.811 11.369 1.999 1.00 2.17 N ATOM 0 H ASN A 33 24.593 8.181 4.439 1.00 0.42 H new ATOM 0 HA ASN A 33 21.926 9.215 4.445 1.00 0.45 H new ATOM 0 HB2 ASN A 33 23.537 10.746 3.768 1.00 0.58 H new ATOM 0 HB3 ASN A 33 24.412 9.574 2.804 1.00 0.58 H new ATOM 0 HD21 ASN A 33 21.307 11.743 1.195 1.00 2.17 H new ATOM 0 HD22 ASN A 33 21.630 11.740 2.932 1.00 2.17 H new ATOM 517 N VAL A 34 22.606 6.862 2.278 1.00 0.42 N ATOM 518 CA VAL A 34 21.931 5.958 1.355 1.00 0.46 C ATOM 519 C VAL A 34 20.946 5.078 2.126 1.00 0.39 C ATOM 520 O VAL A 34 19.838 4.809 1.663 1.00 0.39 O ATOM 521 CB VAL A 34 22.901 5.102 0.504 1.00 0.60 C ATOM 522 CG1 VAL A 34 23.971 5.976 -0.128 1.00 1.39 C ATOM 523 CG2 VAL A 34 23.529 3.985 1.306 1.00 0.61 C ATOM 0 H VAL A 34 23.585 6.645 2.464 1.00 0.42 H new ATOM 0 HA VAL A 34 21.389 6.576 0.640 1.00 0.46 H new ATOM 0 HB VAL A 34 22.313 4.638 -0.288 1.00 0.60 H new ATOM 0 HG11 VAL A 34 24.643 5.356 -0.722 1.00 1.39 H new ATOM 0 HG12 VAL A 34 23.500 6.720 -0.771 1.00 1.39 H new ATOM 0 HG13 VAL A 34 24.539 6.480 0.655 1.00 1.39 H new ATOM 0 HG21 VAL A 34 24.201 3.412 0.667 1.00 0.61 H new ATOM 0 HG22 VAL A 34 24.091 4.407 2.139 1.00 0.61 H new ATOM 0 HG23 VAL A 34 22.748 3.330 1.691 1.00 0.61 H new ATOM 533 N ARG A 35 21.346 4.668 3.332 1.00 0.37 N ATOM 534 CA ARG A 35 20.470 3.903 4.204 1.00 0.37 C ATOM 535 C ARG A 35 19.323 4.785 4.662 1.00 0.32 C ATOM 536 O ARG A 35 18.233 4.307 4.908 1.00 0.36 O ATOM 537 CB ARG A 35 21.221 3.314 5.407 1.00 0.42 C ATOM 538 CG ARG A 35 21.416 4.272 6.572 1.00 0.40 C ATOM 539 CD ARG A 35 21.915 3.560 7.819 1.00 0.50 C ATOM 540 NE ARG A 35 23.218 2.934 7.619 1.00 1.03 N ATOM 541 CZ ARG A 35 23.879 2.272 8.567 1.00 1.33 C ATOM 542 NH1 ARG A 35 23.364 2.154 9.787 1.00 1.61 N ATOM 543 NH2 ARG A 35 25.058 1.729 8.290 1.00 2.14 N ATOM 0 H ARG A 35 22.270 4.856 3.721 1.00 0.37 H new ATOM 0 HA ARG A 35 20.078 3.058 3.638 1.00 0.37 H new ATOM 0 HB2 ARG A 35 20.678 2.438 5.763 1.00 0.42 H new ATOM 0 HB3 ARG A 35 22.199 2.968 5.072 1.00 0.42 H new ATOM 0 HG2 ARG A 35 22.128 5.047 6.288 1.00 0.40 H new ATOM 0 HG3 ARG A 35 20.472 4.771 6.793 1.00 0.40 H new ATOM 0 HD2 ARG A 35 21.980 4.274 8.640 1.00 0.50 H new ATOM 0 HD3 ARG A 35 21.191 2.800 8.114 1.00 0.50 H new ATOM 0 HE ARG A 35 23.649 3.008 6.697 1.00 1.03 H new ATOM 0 HH11 ARG A 35 22.458 2.572 10.001 1.00 1.61 H new ATOM 0 HH12 ARG A 35 23.875 1.646 10.509 1.00 1.61 H new ATOM 0 HH21 ARG A 35 25.454 1.820 7.354 1.00 2.14 H new ATOM 0 HH22 ARG A 35 25.568 1.221 9.013 1.00 2.14 H new ATOM 557 N ARG A 36 19.603 6.076 4.818 1.00 0.29 N ATOM 558 CA ARG A 36 18.573 7.074 5.086 1.00 0.29 C ATOM 559 C ARG A 36 17.541 7.130 3.973 1.00 0.28 C ATOM 560 O ARG A 36 16.392 7.456 4.217 1.00 0.29 O ATOM 561 CB ARG A 36 19.158 8.463 5.289 1.00 0.33 C ATOM 562 CG ARG A 36 19.432 8.849 6.739 1.00 0.45 C ATOM 563 CD ARG A 36 19.875 7.679 7.596 1.00 0.75 C ATOM 564 NE ARG A 36 18.778 7.045 8.328 1.00 1.43 N ATOM 565 CZ ARG A 36 18.959 6.314 9.431 1.00 2.20 C ATOM 566 NH1 ARG A 36 20.170 6.200 9.957 1.00 2.57 N ATOM 567 NH2 ARG A 36 17.933 5.722 10.023 1.00 3.03 N ATOM 0 H ARG A 36 20.547 6.458 4.762 1.00 0.29 H new ATOM 0 HA ARG A 36 18.088 6.760 6.010 1.00 0.29 H new ATOM 0 HB2 ARG A 36 20.091 8.532 4.729 1.00 0.33 H new ATOM 0 HB3 ARG A 36 18.474 9.194 4.859 1.00 0.33 H new ATOM 0 HG2 ARG A 36 20.201 9.621 6.763 1.00 0.45 H new ATOM 0 HG3 ARG A 36 18.530 9.285 7.169 1.00 0.45 H new ATOM 0 HD2 ARG A 36 20.356 6.935 6.961 1.00 0.75 H new ATOM 0 HD3 ARG A 36 20.625 8.023 8.308 1.00 0.75 H new ATOM 0 HE ARG A 36 17.828 7.167 7.978 1.00 1.43 H new ATOM 0 HH11 ARG A 36 20.962 6.670 9.520 1.00 2.57 H new ATOM 0 HH12 ARG A 36 20.310 5.642 10.799 1.00 2.57 H new ATOM 0 HH21 ARG A 36 16.994 5.822 9.637 1.00 3.03 H new ATOM 0 HH22 ARG A 36 18.082 5.166 10.865 1.00 3.03 H new ATOM 581 N ASP A 37 17.948 6.901 2.738 1.00 0.30 N ATOM 582 CA ASP A 37 16.969 6.852 1.663 1.00 0.30 C ATOM 583 C ASP A 37 16.060 5.646 1.873 1.00 0.25 C ATOM 584 O ASP A 37 14.863 5.696 1.591 1.00 0.24 O ATOM 585 CB ASP A 37 17.624 6.811 0.286 1.00 0.37 C ATOM 586 CG ASP A 37 16.815 7.597 -0.726 1.00 0.67 C ATOM 587 OD1 ASP A 37 16.797 8.844 -0.632 1.00 1.19 O ATOM 588 OD2 ASP A 37 16.183 6.989 -1.612 1.00 1.31 O ATOM 0 H ASP A 37 18.917 6.750 2.457 1.00 0.30 H new ATOM 0 HA ASP A 37 16.378 7.767 1.693 1.00 0.30 H new ATOM 0 HB2 ASP A 37 18.632 7.220 0.347 1.00 0.37 H new ATOM 0 HB3 ASP A 37 17.719 5.777 -0.044 1.00 0.37 H new ATOM 593 N LEU A 38 16.631 4.568 2.417 1.00 0.24 N ATOM 594 CA LEU A 38 15.821 3.445 2.884 1.00 0.22 C ATOM 595 C LEU A 38 15.067 3.846 4.150 1.00 0.23 C ATOM 596 O LEU A 38 14.028 3.282 4.466 1.00 0.24 O ATOM 597 CB LEU A 38 16.655 2.187 3.179 1.00 0.29 C ATOM 598 CG LEU A 38 17.380 1.532 1.996 1.00 0.30 C ATOM 599 CD1 LEU A 38 16.722 1.877 0.676 1.00 0.64 C ATOM 600 CD2 LEU A 38 18.844 1.908 1.987 1.00 0.47 C ATOM 0 H LEU A 38 17.636 4.451 2.543 1.00 0.24 H new ATOM 0 HA LEU A 38 15.129 3.200 2.079 1.00 0.22 H new ATOM 0 HB2 LEU A 38 17.401 2.445 3.931 1.00 0.29 H new ATOM 0 HB3 LEU A 38 15.996 1.442 3.626 1.00 0.29 H new ATOM 0 HG LEU A 38 17.306 0.452 2.123 1.00 0.30 H new ATOM 0 HD11 LEU A 38 17.264 1.395 -0.138 1.00 0.64 H new ATOM 0 HD12 LEU A 38 15.690 1.527 0.682 1.00 0.64 H new ATOM 0 HD13 LEU A 38 16.738 2.957 0.533 1.00 0.64 H new ATOM 0 HD21 LEU A 38 19.337 1.432 1.139 1.00 0.47 H new ATOM 0 HD22 LEU A 38 18.941 2.990 1.902 1.00 0.47 H new ATOM 0 HD23 LEU A 38 19.311 1.573 2.913 1.00 0.47 H new ATOM 612 N ASP A 39 15.630 4.796 4.893 1.00 0.25 N ATOM 613 CA ASP A 39 14.970 5.354 6.067 1.00 0.28 C ATOM 614 C ASP A 39 13.699 6.082 5.657 1.00 0.28 C ATOM 615 O ASP A 39 12.658 5.953 6.297 1.00 0.32 O ATOM 616 CB ASP A 39 15.888 6.301 6.833 1.00 0.32 C ATOM 617 CG ASP A 39 15.315 6.668 8.183 1.00 0.71 C ATOM 618 OD1 ASP A 39 15.472 5.867 9.127 1.00 1.59 O ATOM 619 OD2 ASP A 39 14.722 7.748 8.310 1.00 1.33 O ATOM 0 H ASP A 39 16.548 5.197 4.700 1.00 0.25 H new ATOM 0 HA ASP A 39 14.717 4.526 6.729 1.00 0.28 H new ATOM 0 HB2 ASP A 39 16.863 5.833 6.967 1.00 0.32 H new ATOM 0 HB3 ASP A 39 16.047 7.206 6.247 1.00 0.32 H new ATOM 624 N ASN A 40 13.793 6.828 4.563 1.00 0.26 N ATOM 625 CA ASN A 40 12.644 7.517 4.002 1.00 0.26 C ATOM 626 C ASN A 40 11.639 6.496 3.514 1.00 0.23 C ATOM 627 O ASN A 40 10.437 6.702 3.602 1.00 0.25 O ATOM 628 CB ASN A 40 13.062 8.428 2.847 1.00 0.28 C ATOM 629 CG ASN A 40 12.031 9.508 2.571 1.00 0.68 C ATOM 630 OD1 ASN A 40 11.283 9.907 3.465 1.00 1.13 O ATOM 631 ND2 ASN A 40 11.995 10.003 1.344 1.00 1.22 N ATOM 0 H ASN A 40 14.661 6.970 4.046 1.00 0.26 H new ATOM 0 HA ASN A 40 12.195 8.138 4.778 1.00 0.26 H new ATOM 0 HB2 ASN A 40 14.020 8.893 3.081 1.00 0.28 H new ATOM 0 HB3 ASN A 40 13.209 7.829 1.948 1.00 0.28 H new ATOM 0 HD21 ASN A 40 11.331 10.742 1.111 1.00 1.22 H new ATOM 0 HD22 ASN A 40 12.631 9.646 0.631 1.00 1.22 H new ATOM 638 N LEU A 41 12.147 5.389 2.991 1.00 0.21 N ATOM 639 CA LEU A 41 11.307 4.263 2.622 1.00 0.21 C ATOM 640 C LEU A 41 10.602 3.735 3.867 1.00 0.22 C ATOM 641 O LEU A 41 9.398 3.525 3.878 1.00 0.24 O ATOM 642 CB LEU A 41 12.154 3.152 2.004 1.00 0.21 C ATOM 643 CG LEU A 41 11.378 2.174 1.134 1.00 0.58 C ATOM 644 CD1 LEU A 41 10.968 2.854 -0.159 1.00 0.39 C ATOM 645 CD2 LEU A 41 12.203 0.930 0.859 1.00 1.20 C ATOM 0 H LEU A 41 13.141 5.248 2.813 1.00 0.21 H new ATOM 0 HA LEU A 41 10.569 4.591 1.890 1.00 0.21 H new ATOM 0 HB2 LEU A 41 12.943 3.606 1.404 1.00 0.21 H new ATOM 0 HB3 LEU A 41 12.642 2.597 2.805 1.00 0.21 H new ATOM 0 HG LEU A 41 10.478 1.862 1.664 1.00 0.58 H new ATOM 0 HD11 LEU A 41 10.413 2.151 -0.780 1.00 0.39 H new ATOM 0 HD12 LEU A 41 10.339 3.715 0.066 1.00 0.39 H new ATOM 0 HD13 LEU A 41 11.858 3.185 -0.694 1.00 0.39 H new ATOM 0 HD21 LEU A 41 11.630 0.244 0.235 1.00 1.20 H new ATOM 0 HD22 LEU A 41 13.121 1.209 0.342 1.00 1.20 H new ATOM 0 HD23 LEU A 41 12.451 0.442 1.802 1.00 1.20 H new ATOM 657 N HIS A 42 11.384 3.564 4.917 1.00 0.27 N ATOM 658 CA HIS A 42 10.912 3.043 6.190 1.00 0.35 C ATOM 659 C HIS A 42 9.790 3.914 6.749 1.00 0.39 C ATOM 660 O HIS A 42 8.757 3.407 7.179 1.00 0.47 O ATOM 661 CB HIS A 42 12.086 3.013 7.171 1.00 0.40 C ATOM 662 CG HIS A 42 12.024 1.915 8.181 1.00 0.54 C ATOM 663 ND1 HIS A 42 12.671 1.973 9.393 1.00 1.01 N ATOM 664 CD2 HIS A 42 11.439 0.701 8.128 1.00 0.94 C ATOM 665 CE1 HIS A 42 12.493 0.838 10.040 1.00 1.19 C ATOM 666 NE2 HIS A 42 11.744 0.046 9.294 1.00 1.15 N ATOM 0 H HIS A 42 12.380 3.786 4.911 1.00 0.27 H new ATOM 0 HA HIS A 42 10.517 2.037 6.044 1.00 0.35 H new ATOM 0 HB2 HIS A 42 13.013 2.917 6.605 1.00 0.40 H new ATOM 0 HB3 HIS A 42 12.130 3.968 7.694 1.00 0.40 H new ATOM 0 HD2 HIS A 42 10.840 0.315 7.316 1.00 0.94 H new ATOM 0 HE1 HIS A 42 12.892 0.597 11.014 1.00 1.19 H new ATOM 0 HE2 HIS A 42 11.443 -0.896 9.543 1.00 1.15 H new ATOM 675 N ALA A 43 10.000 5.222 6.733 1.00 0.42 N ATOM 676 CA ALA A 43 9.025 6.153 7.280 1.00 0.49 C ATOM 677 C ALA A 43 7.850 6.375 6.331 1.00 0.48 C ATOM 678 O ALA A 43 6.698 6.289 6.741 1.00 0.51 O ATOM 679 CB ALA A 43 9.694 7.480 7.607 1.00 0.56 C ATOM 0 H ALA A 43 10.836 5.662 6.348 1.00 0.42 H new ATOM 0 HA ALA A 43 8.628 5.712 8.194 1.00 0.49 H new ATOM 0 HB1 ALA A 43 8.955 8.169 8.016 1.00 0.56 H new ATOM 0 HB2 ALA A 43 10.484 7.318 8.340 1.00 0.56 H new ATOM 0 HB3 ALA A 43 10.123 7.905 6.699 1.00 0.56 H new ATOM 685 N CYS A 44 8.139 6.652 5.067 1.00 0.44 N ATOM 686 CA CYS A 44 7.094 6.969 4.095 1.00 0.46 C ATOM 687 C CYS A 44 6.268 5.752 3.693 1.00 0.42 C ATOM 688 O CYS A 44 5.149 5.906 3.228 1.00 0.43 O ATOM 689 CB CYS A 44 7.675 7.650 2.863 1.00 0.47 C ATOM 690 SG CYS A 44 8.425 9.255 3.211 1.00 1.61 S ATOM 0 H CYS A 44 9.086 6.664 4.688 1.00 0.44 H new ATOM 0 HA CYS A 44 6.417 7.663 4.593 1.00 0.46 H new ATOM 0 HB2 CYS A 44 8.425 6.997 2.417 1.00 0.47 H new ATOM 0 HB3 CYS A 44 6.885 7.780 2.123 1.00 0.47 H new ATOM 0 HG CYS A 44 9.707 9.109 3.372 1.00 1.61 H new ATOM 696 N LEU A 45 6.812 4.550 3.839 1.00 0.39 N ATOM 697 CA LEU A 45 6.022 3.345 3.590 1.00 0.38 C ATOM 698 C LEU A 45 5.138 3.053 4.787 1.00 0.36 C ATOM 699 O LEU A 45 4.035 2.532 4.647 1.00 0.35 O ATOM 700 CB LEU A 45 6.906 2.141 3.262 1.00 0.39 C ATOM 701 CG LEU A 45 7.132 1.889 1.767 1.00 0.95 C ATOM 702 CD1 LEU A 45 5.827 1.481 1.098 1.00 0.69 C ATOM 703 CD2 LEU A 45 7.707 3.123 1.087 1.00 1.87 C ATOM 0 H LEU A 45 7.777 4.382 4.123 1.00 0.39 H new ATOM 0 HA LEU A 45 5.395 3.527 2.717 1.00 0.38 H new ATOM 0 HB2 LEU A 45 7.875 2.280 3.742 1.00 0.39 H new ATOM 0 HB3 LEU A 45 6.457 1.250 3.701 1.00 0.39 H new ATOM 0 HG LEU A 45 7.852 1.077 1.665 1.00 0.95 H new ATOM 0 HD11 LEU A 45 6.002 1.305 0.037 1.00 0.69 H new ATOM 0 HD12 LEU A 45 5.451 0.568 1.560 1.00 0.69 H new ATOM 0 HD13 LEU A 45 5.092 2.277 1.218 1.00 0.69 H new ATOM 0 HD21 LEU A 45 7.858 2.917 0.027 1.00 1.87 H new ATOM 0 HD22 LEU A 45 7.014 3.957 1.200 1.00 1.87 H new ATOM 0 HD23 LEU A 45 8.662 3.380 1.546 1.00 1.87 H new ATOM 715 N ASN A 46 5.631 3.399 5.966 1.00 0.40 N ATOM 716 CA ASN A 46 4.809 3.388 7.164 1.00 0.45 C ATOM 717 C ASN A 46 3.669 4.394 7.000 1.00 0.43 C ATOM 718 O ASN A 46 2.503 4.080 7.254 1.00 0.42 O ATOM 719 CB ASN A 46 5.674 3.700 8.394 1.00 0.53 C ATOM 720 CG ASN A 46 4.878 4.247 9.567 1.00 0.59 C ATOM 721 OD1 ASN A 46 4.717 5.461 9.707 1.00 1.25 O ATOM 722 ND2 ASN A 46 4.386 3.365 10.420 1.00 1.00 N ATOM 0 H ASN A 46 6.596 3.691 6.118 1.00 0.40 H new ATOM 0 HA ASN A 46 4.373 2.400 7.313 1.00 0.45 H new ATOM 0 HB2 ASN A 46 6.190 2.792 8.706 1.00 0.53 H new ATOM 0 HB3 ASN A 46 6.441 4.423 8.116 1.00 0.53 H new ATOM 0 HD21 ASN A 46 3.851 3.681 11.229 1.00 1.00 H new ATOM 0 HD22 ASN A 46 4.541 2.368 10.269 1.00 1.00 H new ATOM 729 N LYS A 47 4.023 5.602 6.566 1.00 0.49 N ATOM 730 CA LYS A 47 3.042 6.603 6.150 1.00 0.47 C ATOM 731 C LYS A 47 2.085 6.041 5.104 1.00 0.42 C ATOM 732 O LYS A 47 0.878 6.191 5.228 1.00 0.43 O ATOM 733 CB LYS A 47 3.740 7.826 5.555 1.00 0.53 C ATOM 734 CG LYS A 47 4.582 8.616 6.540 1.00 1.02 C ATOM 735 CD LYS A 47 5.262 9.801 5.868 1.00 1.07 C ATOM 736 CE LYS A 47 4.249 10.703 5.175 1.00 1.30 C ATOM 737 NZ LYS A 47 4.872 11.938 4.629 1.00 2.15 N ATOM 0 H LYS A 47 4.992 5.914 6.493 1.00 0.49 H new ATOM 0 HA LYS A 47 2.480 6.888 7.039 1.00 0.47 H new ATOM 0 HB2 LYS A 47 4.377 7.500 4.733 1.00 0.53 H new ATOM 0 HB3 LYS A 47 2.985 8.488 5.130 1.00 0.53 H new ATOM 0 HG2 LYS A 47 3.952 8.971 7.356 1.00 1.02 H new ATOM 0 HG3 LYS A 47 5.336 7.964 6.980 1.00 1.02 H new ATOM 0 HD2 LYS A 47 5.814 10.375 6.612 1.00 1.07 H new ATOM 0 HD3 LYS A 47 5.989 9.441 5.140 1.00 1.07 H new ATOM 0 HE2 LYS A 47 3.770 10.152 4.366 1.00 1.30 H new ATOM 0 HE3 LYS A 47 3.466 10.976 5.882 1.00 1.30 H new ATOM 0 HZ1 LYS A 47 4.144 12.519 4.167 1.00 2.15 H new ATOM 0 HZ2 LYS A 47 5.307 12.479 5.403 1.00 2.15 H new ATOM 0 HZ3 LYS A 47 5.602 11.681 3.934 1.00 2.15 H new ATOM 751 N ALA A 48 2.636 5.403 4.075 1.00 0.40 N ATOM 752 CA ALA A 48 1.842 4.837 2.988 1.00 0.38 C ATOM 753 C ALA A 48 0.811 3.857 3.519 1.00 0.36 C ATOM 754 O ALA A 48 -0.352 3.894 3.123 1.00 0.36 O ATOM 755 CB ALA A 48 2.743 4.157 1.969 1.00 0.41 C ATOM 0 H ALA A 48 3.641 5.264 3.971 1.00 0.40 H new ATOM 0 HA ALA A 48 1.313 5.653 2.497 1.00 0.38 H new ATOM 0 HB1 ALA A 48 2.135 3.741 1.166 1.00 0.41 H new ATOM 0 HB2 ALA A 48 3.440 4.886 1.556 1.00 0.41 H new ATOM 0 HB3 ALA A 48 3.301 3.356 2.454 1.00 0.41 H new ATOM 761 N LYS A 49 1.228 3.003 4.443 1.00 0.37 N ATOM 762 CA LYS A 49 0.314 2.058 5.061 1.00 0.41 C ATOM 763 C LYS A 49 -0.789 2.802 5.794 1.00 0.46 C ATOM 764 O LYS A 49 -1.952 2.413 5.755 1.00 0.56 O ATOM 765 CB LYS A 49 1.046 1.147 6.046 1.00 0.41 C ATOM 766 CG LYS A 49 2.052 0.211 5.401 1.00 0.39 C ATOM 767 CD LYS A 49 2.571 -0.803 6.398 1.00 0.42 C ATOM 768 CE LYS A 49 3.444 -0.150 7.456 1.00 0.45 C ATOM 769 NZ LYS A 49 3.704 -1.061 8.599 1.00 1.03 N ATOM 0 H LYS A 49 2.189 2.946 4.779 1.00 0.37 H new ATOM 0 HA LYS A 49 -0.117 1.444 4.270 1.00 0.41 H new ATOM 0 HB2 LYS A 49 1.562 1.765 6.781 1.00 0.41 H new ATOM 0 HB3 LYS A 49 0.311 0.553 6.589 1.00 0.41 H new ATOM 0 HG2 LYS A 49 1.586 -0.305 4.561 1.00 0.39 H new ATOM 0 HG3 LYS A 49 2.884 0.788 4.998 1.00 0.39 H new ATOM 0 HD2 LYS A 49 1.731 -1.305 6.878 1.00 0.42 H new ATOM 0 HD3 LYS A 49 3.144 -1.569 5.875 1.00 0.42 H new ATOM 0 HE2 LYS A 49 4.391 0.151 7.009 1.00 0.45 H new ATOM 0 HE3 LYS A 49 2.959 0.757 7.818 1.00 0.45 H new ATOM 0 HZ1 LYS A 49 4.303 -0.578 9.299 1.00 1.03 H new ATOM 0 HZ2 LYS A 49 2.802 -1.329 9.042 1.00 1.03 H new ATOM 0 HZ3 LYS A 49 4.190 -1.915 8.259 1.00 1.03 H new ATOM 783 N LEU A 50 -0.410 3.888 6.448 1.00 0.44 N ATOM 784 CA LEU A 50 -1.340 4.657 7.250 1.00 0.51 C ATOM 785 C LEU A 50 -2.273 5.499 6.379 1.00 0.44 C ATOM 786 O LEU A 50 -3.399 5.764 6.768 1.00 0.43 O ATOM 787 CB LEU A 50 -0.586 5.537 8.248 1.00 0.62 C ATOM 788 CG LEU A 50 -1.338 5.886 9.543 1.00 1.02 C ATOM 789 CD1 LEU A 50 -2.667 5.152 9.645 1.00 2.08 C ATOM 790 CD2 LEU A 50 -0.486 5.523 10.737 1.00 0.75 C ATOM 0 H LEU A 50 0.541 4.256 6.437 1.00 0.44 H new ATOM 0 HA LEU A 50 -1.960 3.954 7.806 1.00 0.51 H new ATOM 0 HB2 LEU A 50 0.343 5.034 8.516 1.00 0.62 H new ATOM 0 HB3 LEU A 50 -0.313 6.466 7.748 1.00 0.62 H new ATOM 0 HG LEU A 50 -1.540 6.957 9.526 1.00 1.02 H new ATOM 0 HD11 LEU A 50 -3.165 5.428 10.575 1.00 2.08 H new ATOM 0 HD12 LEU A 50 -3.299 5.425 8.800 1.00 2.08 H new ATOM 0 HD13 LEU A 50 -2.490 4.076 9.633 1.00 2.08 H new ATOM 0 HD21 LEU A 50 -1.020 5.771 11.654 1.00 0.75 H new ATOM 0 HD22 LEU A 50 -0.272 4.454 10.720 1.00 0.75 H new ATOM 0 HD23 LEU A 50 0.449 6.081 10.700 1.00 0.75 H new ATOM 802 N THR A 51 -1.815 5.938 5.212 1.00 0.41 N ATOM 803 CA THR A 51 -2.697 6.659 4.302 1.00 0.40 C ATOM 804 C THR A 51 -3.841 5.750 3.882 1.00 0.35 C ATOM 805 O THR A 51 -4.990 6.175 3.776 1.00 0.34 O ATOM 806 CB THR A 51 -1.964 7.191 3.047 1.00 0.43 C ATOM 807 OG1 THR A 51 -1.421 6.117 2.269 1.00 0.48 O ATOM 808 CG2 THR A 51 -0.849 8.142 3.436 1.00 0.54 C ATOM 0 H THR A 51 -0.859 5.811 4.879 1.00 0.41 H new ATOM 0 HA THR A 51 -3.076 7.528 4.840 1.00 0.40 H new ATOM 0 HB THR A 51 -2.699 7.726 2.445 1.00 0.43 H new ATOM 0 HG1 THR A 51 -1.207 5.363 2.857 1.00 0.48 H new ATOM 0 HG21 THR A 51 -0.348 8.503 2.537 1.00 0.54 H new ATOM 0 HG22 THR A 51 -1.266 8.987 3.983 1.00 0.54 H new ATOM 0 HG23 THR A 51 -0.130 7.620 4.067 1.00 0.54 H new ATOM 816 N VAL A 52 -3.509 4.486 3.669 1.00 0.34 N ATOM 817 CA VAL A 52 -4.495 3.467 3.373 1.00 0.31 C ATOM 818 C VAL A 52 -5.298 3.141 4.625 1.00 0.27 C ATOM 819 O VAL A 52 -6.507 2.918 4.563 1.00 0.28 O ATOM 820 CB VAL A 52 -3.815 2.196 2.815 1.00 0.34 C ATOM 821 CG1 VAL A 52 -4.838 1.168 2.382 1.00 0.33 C ATOM 822 CG2 VAL A 52 -2.900 2.550 1.651 1.00 0.43 C ATOM 0 H VAL A 52 -2.549 4.142 3.697 1.00 0.34 H new ATOM 0 HA VAL A 52 -5.174 3.848 2.611 1.00 0.31 H new ATOM 0 HB VAL A 52 -3.217 1.760 3.616 1.00 0.34 H new ATOM 0 HG11 VAL A 52 -4.327 0.287 1.995 1.00 0.33 H new ATOM 0 HG12 VAL A 52 -5.453 0.885 3.236 1.00 0.33 H new ATOM 0 HG13 VAL A 52 -5.472 1.591 1.603 1.00 0.33 H new ATOM 0 HG21 VAL A 52 -2.429 1.644 1.270 1.00 0.43 H new ATOM 0 HG22 VAL A 52 -3.484 3.017 0.858 1.00 0.43 H new ATOM 0 HG23 VAL A 52 -2.131 3.243 1.991 1.00 0.43 H new ATOM 832 N GLY A 53 -4.615 3.157 5.765 1.00 0.27 N ATOM 833 CA GLY A 53 -5.270 2.953 7.037 1.00 0.30 C ATOM 834 C GLY A 53 -6.326 4.002 7.248 1.00 0.27 C ATOM 835 O GLY A 53 -7.454 3.717 7.647 1.00 0.27 O ATOM 0 H GLY A 53 -3.608 3.310 5.826 1.00 0.27 H new ATOM 0 HA2 GLY A 53 -5.720 1.961 7.068 1.00 0.30 H new ATOM 0 HA3 GLY A 53 -4.538 2.996 7.843 1.00 0.30 H new ATOM 839 N ARG A 54 -5.943 5.226 6.946 1.00 0.27 N ATOM 840 CA ARG A 54 -6.808 6.369 7.087 1.00 0.27 C ATOM 841 C ARG A 54 -7.842 6.471 5.985 1.00 0.24 C ATOM 842 O ARG A 54 -8.893 7.082 6.168 1.00 0.25 O ATOM 843 CB ARG A 54 -5.983 7.629 7.194 1.00 0.38 C ATOM 844 CG ARG A 54 -5.257 7.703 8.519 1.00 0.89 C ATOM 845 CD ARG A 54 -4.503 8.996 8.665 1.00 1.02 C ATOM 846 NE ARG A 54 -5.391 10.152 8.789 1.00 1.79 N ATOM 847 CZ ARG A 54 -5.065 11.267 9.437 1.00 2.26 C ATOM 848 NH1 ARG A 54 -3.896 11.361 10.064 1.00 2.18 N ATOM 849 NH2 ARG A 54 -5.915 12.289 9.465 1.00 3.18 N ATOM 0 H ARG A 54 -5.013 5.452 6.593 1.00 0.27 H new ATOM 0 HA ARG A 54 -7.375 6.237 8.009 1.00 0.27 H new ATOM 0 HB2 ARG A 54 -5.260 7.663 6.379 1.00 0.38 H new ATOM 0 HB3 ARG A 54 -6.629 8.499 7.083 1.00 0.38 H new ATOM 0 HG2 ARG A 54 -5.974 7.605 9.334 1.00 0.89 H new ATOM 0 HG3 ARG A 54 -4.564 6.866 8.602 1.00 0.89 H new ATOM 0 HD2 ARG A 54 -3.860 8.940 9.543 1.00 1.02 H new ATOM 0 HD3 ARG A 54 -3.852 9.133 7.801 1.00 1.02 H new ATOM 0 HE ARG A 54 -6.312 10.100 8.354 1.00 1.79 H new ATOM 0 HH11 ARG A 54 -3.245 10.576 10.049 1.00 2.18 H new ATOM 0 HH12 ARG A 54 -3.651 12.218 10.560 1.00 2.18 H new ATOM 0 HH21 ARG A 54 -6.815 12.217 8.990 1.00 3.18 H new ATOM 0 HH22 ARG A 54 -5.667 13.145 9.961 1.00 3.18 H new ATOM 863 N MET A 55 -7.555 5.883 4.840 1.00 0.23 N ATOM 864 CA MET A 55 -8.537 5.836 3.777 1.00 0.24 C ATOM 865 C MET A 55 -9.651 4.878 4.170 1.00 0.21 C ATOM 866 O MET A 55 -10.830 5.145 3.942 1.00 0.23 O ATOM 867 CB MET A 55 -7.903 5.411 2.458 1.00 0.28 C ATOM 868 CG MET A 55 -8.861 5.526 1.295 1.00 0.34 C ATOM 869 SD MET A 55 -9.487 7.201 1.095 1.00 0.68 S ATOM 870 CE MET A 55 -10.971 6.868 0.160 1.00 0.41 C ATOM 0 H MET A 55 -6.663 5.437 4.624 1.00 0.23 H new ATOM 0 HA MET A 55 -8.949 6.835 3.632 1.00 0.24 H new ATOM 0 HB2 MET A 55 -7.025 6.028 2.265 1.00 0.28 H new ATOM 0 HB3 MET A 55 -7.557 4.381 2.540 1.00 0.28 H new ATOM 0 HG2 MET A 55 -8.357 5.216 0.379 1.00 0.34 H new ATOM 0 HG3 MET A 55 -9.697 4.843 1.446 1.00 0.34 H new ATOM 0 HE1 MET A 55 -10.835 7.200 -0.869 1.00 0.41 H new ATOM 0 HE2 MET A 55 -11.176 5.798 0.172 1.00 0.41 H new ATOM 0 HE3 MET A 55 -11.810 7.403 0.606 1.00 0.41 H new ATOM 880 N VAL A 56 -9.265 3.766 4.782 1.00 0.20 N ATOM 881 CA VAL A 56 -10.222 2.853 5.388 1.00 0.22 C ATOM 882 C VAL A 56 -10.971 3.571 6.506 1.00 0.21 C ATOM 883 O VAL A 56 -12.174 3.389 6.691 1.00 0.25 O ATOM 884 CB VAL A 56 -9.523 1.596 5.949 1.00 0.25 C ATOM 885 CG1 VAL A 56 -10.520 0.682 6.638 1.00 0.29 C ATOM 886 CG2 VAL A 56 -8.797 0.854 4.838 1.00 0.26 C ATOM 0 H VAL A 56 -8.292 3.475 4.871 1.00 0.20 H new ATOM 0 HA VAL A 56 -10.923 2.531 4.618 1.00 0.22 H new ATOM 0 HB VAL A 56 -8.791 1.916 6.691 1.00 0.25 H new ATOM 0 HG11 VAL A 56 -10.002 -0.196 7.024 1.00 0.29 H new ATOM 0 HG12 VAL A 56 -10.994 1.216 7.462 1.00 0.29 H new ATOM 0 HG13 VAL A 56 -11.281 0.369 5.923 1.00 0.29 H new ATOM 0 HG21 VAL A 56 -8.309 -0.030 5.249 1.00 0.26 H new ATOM 0 HG22 VAL A 56 -9.513 0.551 4.074 1.00 0.26 H new ATOM 0 HG23 VAL A 56 -8.047 1.508 4.393 1.00 0.26 H new ATOM 896 N THR A 57 -10.239 4.408 7.231 1.00 0.19 N ATOM 897 CA THR A 57 -10.817 5.217 8.289 1.00 0.22 C ATOM 898 C THR A 57 -11.876 6.164 7.717 1.00 0.21 C ATOM 899 O THR A 57 -12.896 6.424 8.357 1.00 0.25 O ATOM 900 CB THR A 57 -9.732 6.031 9.022 1.00 0.25 C ATOM 901 OG1 THR A 57 -8.715 5.151 9.520 1.00 0.29 O ATOM 902 CG2 THR A 57 -10.328 6.815 10.179 1.00 0.33 C ATOM 0 H THR A 57 -9.236 4.542 7.101 1.00 0.19 H new ATOM 0 HA THR A 57 -11.286 4.543 9.006 1.00 0.22 H new ATOM 0 HB THR A 57 -9.298 6.734 8.311 1.00 0.25 H new ATOM 0 HG1 THR A 57 -8.319 4.654 8.774 1.00 0.29 H new ATOM 0 HG21 THR A 57 -9.541 7.380 10.679 1.00 0.33 H new ATOM 0 HG22 THR A 57 -11.085 7.502 9.801 1.00 0.33 H new ATOM 0 HG23 THR A 57 -10.786 6.125 10.888 1.00 0.33 H new ATOM 910 N SER A 58 -11.634 6.650 6.499 1.00 0.24 N ATOM 911 CA SER A 58 -12.554 7.562 5.830 1.00 0.28 C ATOM 912 C SER A 58 -13.888 6.876 5.538 1.00 0.26 C ATOM 913 O SER A 58 -14.940 7.390 5.889 1.00 0.32 O ATOM 914 CB SER A 58 -11.927 8.076 4.525 1.00 0.34 C ATOM 915 OG SER A 58 -12.820 8.911 3.800 1.00 1.20 O ATOM 0 H SER A 58 -10.802 6.423 5.955 1.00 0.24 H new ATOM 0 HA SER A 58 -12.744 8.406 6.493 1.00 0.28 H new ATOM 0 HB2 SER A 58 -11.017 8.630 4.753 1.00 0.34 H new ATOM 0 HB3 SER A 58 -11.637 7.229 3.903 1.00 0.34 H new ATOM 0 HG SER A 58 -12.385 9.219 2.978 1.00 1.20 H new ATOM 921 N LEU A 59 -13.844 5.688 4.952 1.00 0.23 N ATOM 922 CA LEU A 59 -15.076 4.960 4.642 1.00 0.23 C ATOM 923 C LEU A 59 -15.797 4.586 5.932 1.00 0.23 C ATOM 924 O LEU A 59 -17.024 4.517 5.980 1.00 0.30 O ATOM 925 CB LEU A 59 -14.791 3.690 3.819 1.00 0.29 C ATOM 926 CG LEU A 59 -14.595 3.881 2.303 1.00 0.34 C ATOM 927 CD1 LEU A 59 -13.416 4.791 2.003 1.00 1.39 C ATOM 928 CD2 LEU A 59 -14.399 2.532 1.633 1.00 1.45 C ATOM 0 H LEU A 59 -12.984 5.209 4.683 1.00 0.23 H new ATOM 0 HA LEU A 59 -15.709 5.615 4.043 1.00 0.23 H new ATOM 0 HB2 LEU A 59 -13.895 3.217 4.222 1.00 0.29 H new ATOM 0 HB3 LEU A 59 -15.615 2.993 3.971 1.00 0.29 H new ATOM 0 HG LEU A 59 -15.491 4.357 1.905 1.00 0.34 H new ATOM 0 HD11 LEU A 59 -13.308 4.903 0.924 1.00 1.39 H new ATOM 0 HD12 LEU A 59 -13.587 5.769 2.454 1.00 1.39 H new ATOM 0 HD13 LEU A 59 -12.506 4.355 2.416 1.00 1.39 H new ATOM 0 HD21 LEU A 59 -14.261 2.675 0.561 1.00 1.45 H new ATOM 0 HD22 LEU A 59 -13.519 2.043 2.050 1.00 1.45 H new ATOM 0 HD23 LEU A 59 -15.276 1.909 1.806 1.00 1.45 H new ATOM 940 N LEU A 60 -15.017 4.364 6.983 1.00 0.20 N ATOM 941 CA LEU A 60 -15.556 3.934 8.264 1.00 0.23 C ATOM 942 C LEU A 60 -16.208 5.086 9.032 1.00 0.28 C ATOM 943 O LEU A 60 -16.834 4.866 10.069 1.00 0.33 O ATOM 944 CB LEU A 60 -14.451 3.293 9.111 1.00 0.24 C ATOM 945 CG LEU A 60 -14.713 1.848 9.557 1.00 0.58 C ATOM 946 CD1 LEU A 60 -15.909 1.778 10.497 1.00 1.43 C ATOM 947 CD2 LEU A 60 -14.933 0.945 8.350 1.00 0.59 C ATOM 0 H LEU A 60 -14.003 4.476 6.971 1.00 0.20 H new ATOM 0 HA LEU A 60 -16.334 3.198 8.061 1.00 0.23 H new ATOM 0 HB2 LEU A 60 -13.522 3.316 8.542 1.00 0.24 H new ATOM 0 HB3 LEU A 60 -14.296 3.906 9.999 1.00 0.24 H new ATOM 0 HG LEU A 60 -13.833 1.497 10.097 1.00 0.58 H new ATOM 0 HD11 LEU A 60 -16.074 0.744 10.799 1.00 1.43 H new ATOM 0 HD12 LEU A 60 -15.714 2.387 11.380 1.00 1.43 H new ATOM 0 HD13 LEU A 60 -16.796 2.153 9.986 1.00 1.43 H new ATOM 0 HD21 LEU A 60 -15.117 -0.075 8.687 1.00 0.59 H new ATOM 0 HD22 LEU A 60 -15.793 1.300 7.782 1.00 0.59 H new ATOM 0 HD23 LEU A 60 -14.047 0.963 7.716 1.00 0.59 H new ATOM 959 N GLU A 61 -16.079 6.312 8.536 1.00 0.32 N ATOM 960 CA GLU A 61 -16.726 7.442 9.189 1.00 0.42 C ATOM 961 C GLU A 61 -17.941 7.901 8.387 1.00 0.45 C ATOM 962 O GLU A 61 -18.373 9.050 8.469 1.00 0.59 O ATOM 963 CB GLU A 61 -15.739 8.590 9.465 1.00 0.56 C ATOM 964 CG GLU A 61 -14.889 9.015 8.281 1.00 0.77 C ATOM 965 CD GLU A 61 -15.277 10.368 7.721 1.00 1.74 C ATOM 966 OE1 GLU A 61 -15.963 11.138 8.424 1.00 2.36 O ATOM 967 OE2 GLU A 61 -14.875 10.681 6.580 1.00 2.46 O ATOM 0 H GLU A 61 -15.543 6.546 7.700 1.00 0.32 H new ATOM 0 HA GLU A 61 -17.082 7.109 10.164 1.00 0.42 H new ATOM 0 HB2 GLU A 61 -16.302 9.455 9.816 1.00 0.56 H new ATOM 0 HB3 GLU A 61 -15.077 8.290 10.277 1.00 0.56 H new ATOM 0 HG2 GLU A 61 -13.842 9.042 8.585 1.00 0.77 H new ATOM 0 HG3 GLU A 61 -14.974 8.266 7.494 1.00 0.77 H new ATOM 974 N LYS A 62 -18.493 6.967 7.618 1.00 0.46 N ATOM 975 CA LYS A 62 -19.778 7.148 6.962 1.00 0.53 C ATOM 976 C LYS A 62 -20.570 5.853 7.077 1.00 0.43 C ATOM 977 O LYS A 62 -20.331 4.896 6.340 1.00 0.41 O ATOM 978 CB LYS A 62 -19.652 7.546 5.487 1.00 0.70 C ATOM 979 CG LYS A 62 -18.244 7.519 4.924 1.00 0.62 C ATOM 980 CD LYS A 62 -17.618 8.902 4.939 1.00 0.76 C ATOM 981 CE LYS A 62 -16.407 8.981 4.028 1.00 0.72 C ATOM 982 NZ LYS A 62 -15.749 10.309 4.101 1.00 0.97 N ATOM 0 H LYS A 62 -18.059 6.063 7.434 1.00 0.46 H new ATOM 0 HA LYS A 62 -20.290 7.970 7.462 1.00 0.53 H new ATOM 0 HB2 LYS A 62 -20.275 6.877 4.893 1.00 0.70 H new ATOM 0 HB3 LYS A 62 -20.055 8.551 5.364 1.00 0.70 H new ATOM 0 HG2 LYS A 62 -17.630 6.833 5.507 1.00 0.62 H new ATOM 0 HG3 LYS A 62 -18.265 7.138 3.903 1.00 0.62 H new ATOM 0 HD2 LYS A 62 -18.357 9.639 4.626 1.00 0.76 H new ATOM 0 HD3 LYS A 62 -17.324 9.157 5.957 1.00 0.76 H new ATOM 0 HE2 LYS A 62 -15.693 8.206 4.305 1.00 0.72 H new ATOM 0 HE3 LYS A 62 -16.711 8.782 3.000 1.00 0.72 H new ATOM 0 HZ1 LYS A 62 -15.244 10.496 3.211 1.00 0.97 H new ATOM 0 HZ2 LYS A 62 -16.468 11.045 4.252 1.00 0.97 H new ATOM 0 HZ3 LYS A 62 -15.073 10.319 4.891 1.00 0.97 H new ATOM 996 N PRO A 63 -21.518 5.817 8.022 1.00 0.46 N ATOM 997 CA PRO A 63 -22.276 4.607 8.379 1.00 0.48 C ATOM 998 C PRO A 63 -22.894 3.883 7.182 1.00 0.42 C ATOM 999 O PRO A 63 -22.925 2.652 7.147 1.00 0.42 O ATOM 1000 CB PRO A 63 -23.371 5.138 9.304 1.00 0.65 C ATOM 1001 CG PRO A 63 -22.787 6.366 9.906 1.00 0.69 C ATOM 1002 CD PRO A 63 -21.923 6.975 8.836 1.00 0.59 C ATOM 0 HA PRO A 63 -21.625 3.858 8.831 1.00 0.48 H new ATOM 0 HB2 PRO A 63 -24.283 5.362 8.751 1.00 0.65 H new ATOM 0 HB3 PRO A 63 -23.633 4.407 10.069 1.00 0.65 H new ATOM 0 HG2 PRO A 63 -23.569 7.058 10.219 1.00 0.69 H new ATOM 0 HG3 PRO A 63 -22.201 6.126 10.793 1.00 0.69 H new ATOM 0 HD2 PRO A 63 -22.472 7.708 8.246 1.00 0.59 H new ATOM 0 HD3 PRO A 63 -21.060 7.489 9.260 1.00 0.59 H new ATOM 1010 N SER A 64 -23.384 4.639 6.207 1.00 0.43 N ATOM 1011 CA SER A 64 -24.008 4.048 5.028 1.00 0.46 C ATOM 1012 C SER A 64 -22.972 3.329 4.162 1.00 0.42 C ATOM 1013 O SER A 64 -23.228 2.233 3.656 1.00 0.43 O ATOM 1014 CB SER A 64 -24.736 5.126 4.223 1.00 0.57 C ATOM 1015 OG SER A 64 -25.697 5.792 5.031 1.00 1.46 O ATOM 0 H SER A 64 -23.362 5.659 6.208 1.00 0.43 H new ATOM 0 HA SER A 64 -24.737 3.307 5.357 1.00 0.46 H new ATOM 0 HB2 SER A 64 -24.016 5.847 3.837 1.00 0.57 H new ATOM 0 HB3 SER A 64 -25.228 4.674 3.362 1.00 0.57 H new ATOM 0 HG SER A 64 -26.151 6.479 4.500 1.00 1.46 H new ATOM 1021 N VAL A 65 -21.802 3.942 4.003 1.00 0.40 N ATOM 1022 CA VAL A 65 -20.702 3.319 3.274 1.00 0.39 C ATOM 1023 C VAL A 65 -20.272 2.037 3.972 1.00 0.34 C ATOM 1024 O VAL A 65 -20.097 0.995 3.333 1.00 0.33 O ATOM 1025 CB VAL A 65 -19.489 4.266 3.161 1.00 0.43 C ATOM 1026 CG1 VAL A 65 -18.344 3.604 2.414 1.00 0.53 C ATOM 1027 CG2 VAL A 65 -19.888 5.561 2.479 1.00 0.47 C ATOM 0 H VAL A 65 -21.592 4.870 4.370 1.00 0.40 H new ATOM 0 HA VAL A 65 -21.060 3.094 2.269 1.00 0.39 H new ATOM 0 HB VAL A 65 -19.146 4.494 4.170 1.00 0.43 H new ATOM 0 HG11 VAL A 65 -17.504 4.295 2.350 1.00 0.53 H new ATOM 0 HG12 VAL A 65 -18.034 2.704 2.946 1.00 0.53 H new ATOM 0 HG13 VAL A 65 -18.671 3.337 1.409 1.00 0.53 H new ATOM 0 HG21 VAL A 65 -19.020 6.217 2.408 1.00 0.47 H new ATOM 0 HG22 VAL A 65 -20.263 5.345 1.478 1.00 0.47 H new ATOM 0 HG23 VAL A 65 -20.668 6.053 3.060 1.00 0.47 H new ATOM 1037 N VAL A 66 -20.137 2.122 5.291 1.00 0.34 N ATOM 1038 CA VAL A 66 -19.769 0.972 6.105 1.00 0.31 C ATOM 1039 C VAL A 66 -20.768 -0.155 5.906 1.00 0.32 C ATOM 1040 O VAL A 66 -20.381 -1.289 5.627 1.00 0.33 O ATOM 1041 CB VAL A 66 -19.714 1.334 7.607 1.00 0.33 C ATOM 1042 CG1 VAL A 66 -19.332 0.127 8.450 1.00 0.35 C ATOM 1043 CG2 VAL A 66 -18.747 2.478 7.851 1.00 0.34 C ATOM 0 H VAL A 66 -20.278 2.982 5.821 1.00 0.34 H new ATOM 0 HA VAL A 66 -18.777 0.652 5.786 1.00 0.31 H new ATOM 0 HB VAL A 66 -20.712 1.654 7.907 1.00 0.33 H new ATOM 0 HG11 VAL A 66 -19.301 0.413 9.501 1.00 0.35 H new ATOM 0 HG12 VAL A 66 -20.070 -0.663 8.310 1.00 0.35 H new ATOM 0 HG13 VAL A 66 -18.350 -0.235 8.144 1.00 0.35 H new ATOM 0 HG21 VAL A 66 -18.725 2.715 8.915 1.00 0.34 H new ATOM 0 HG22 VAL A 66 -17.749 2.187 7.523 1.00 0.34 H new ATOM 0 HG23 VAL A 66 -19.072 3.355 7.290 1.00 0.34 H new ATOM 1053 N ALA A 67 -22.053 0.178 6.011 1.00 0.34 N ATOM 1054 CA ALA A 67 -23.123 -0.805 5.888 1.00 0.36 C ATOM 1055 C ALA A 67 -23.051 -1.552 4.569 1.00 0.32 C ATOM 1056 O ALA A 67 -23.258 -2.755 4.521 1.00 0.35 O ATOM 1057 CB ALA A 67 -24.475 -0.136 6.014 1.00 0.41 C ATOM 0 H ALA A 67 -22.378 1.129 6.182 1.00 0.34 H new ATOM 0 HA ALA A 67 -22.994 -1.524 6.697 1.00 0.36 H new ATOM 0 HB1 ALA A 67 -25.262 -0.885 5.920 1.00 0.41 H new ATOM 0 HB2 ALA A 67 -24.551 0.350 6.987 1.00 0.41 H new ATOM 0 HB3 ALA A 67 -24.587 0.609 5.226 1.00 0.41 H new ATOM 1063 N TYR A 68 -22.777 -0.834 3.498 1.00 0.28 N ATOM 1064 CA TYR A 68 -22.695 -1.439 2.180 1.00 0.27 C ATOM 1065 C TYR A 68 -21.480 -2.339 2.020 1.00 0.23 C ATOM 1066 O TYR A 68 -21.530 -3.340 1.305 1.00 0.27 O ATOM 1067 CB TYR A 68 -22.821 -0.397 1.083 1.00 0.29 C ATOM 1068 CG TYR A 68 -24.264 -0.252 0.672 1.00 0.75 C ATOM 1069 CD1 TYR A 68 -24.813 -1.115 -0.266 1.00 1.46 C ATOM 1070 CD2 TYR A 68 -25.090 0.705 1.246 1.00 1.45 C ATOM 1071 CE1 TYR A 68 -26.139 -1.028 -0.627 1.00 1.88 C ATOM 1072 CE2 TYR A 68 -26.423 0.792 0.896 1.00 1.86 C ATOM 1073 CZ TYR A 68 -26.942 -0.073 -0.045 1.00 1.81 C ATOM 1074 OH TYR A 68 -28.269 0.007 -0.399 1.00 2.35 O ATOM 0 H TYR A 68 -22.607 0.172 3.513 1.00 0.28 H new ATOM 0 HA TYR A 68 -23.553 -2.103 2.076 1.00 0.27 H new ATOM 0 HB2 TYR A 68 -22.436 0.561 1.434 1.00 0.29 H new ATOM 0 HB3 TYR A 68 -22.217 -0.687 0.223 1.00 0.29 H new ATOM 0 HD1 TYR A 68 -24.188 -1.869 -0.721 1.00 1.46 H new ATOM 0 HD2 TYR A 68 -24.685 1.390 1.976 1.00 1.45 H new ATOM 0 HE1 TYR A 68 -26.547 -1.705 -1.363 1.00 1.88 H new ATOM 0 HE2 TYR A 68 -27.057 1.535 1.357 1.00 1.86 H new ATOM 0 HH TYR A 68 -28.698 0.732 0.102 1.00 2.35 H new ATOM 1084 N LEU A 69 -20.372 -1.961 2.634 1.00 0.20 N ATOM 1085 CA LEU A 69 -19.199 -2.822 2.660 1.00 0.19 C ATOM 1086 C LEU A 69 -19.535 -4.179 3.286 1.00 0.24 C ATOM 1087 O LEU A 69 -19.216 -5.224 2.724 1.00 0.27 O ATOM 1088 CB LEU A 69 -18.075 -2.143 3.435 1.00 0.22 C ATOM 1089 CG LEU A 69 -17.626 -0.817 2.845 1.00 0.25 C ATOM 1090 CD1 LEU A 69 -16.782 -0.035 3.840 1.00 0.33 C ATOM 1091 CD2 LEU A 69 -16.861 -1.041 1.551 1.00 0.29 C ATOM 0 H LEU A 69 -20.259 -1.071 3.118 1.00 0.20 H new ATOM 0 HA LEU A 69 -18.870 -2.994 1.635 1.00 0.19 H new ATOM 0 HB2 LEU A 69 -18.404 -1.979 4.461 1.00 0.22 H new ATOM 0 HB3 LEU A 69 -17.220 -2.817 3.478 1.00 0.22 H new ATOM 0 HG LEU A 69 -18.515 -0.227 2.622 1.00 0.25 H new ATOM 0 HD11 LEU A 69 -16.474 0.910 3.392 1.00 0.33 H new ATOM 0 HD12 LEU A 69 -17.368 0.163 4.738 1.00 0.33 H new ATOM 0 HD13 LEU A 69 -15.899 -0.617 4.104 1.00 0.33 H new ATOM 0 HD21 LEU A 69 -16.547 -0.080 1.143 1.00 0.29 H new ATOM 0 HD22 LEU A 69 -15.983 -1.655 1.749 1.00 0.29 H new ATOM 0 HD23 LEU A 69 -17.504 -1.548 0.832 1.00 0.29 H new ATOM 1103 N GLU A 70 -20.209 -4.161 4.426 1.00 0.31 N ATOM 1104 CA GLU A 70 -20.596 -5.401 5.097 1.00 0.43 C ATOM 1105 C GLU A 70 -21.800 -6.033 4.425 1.00 0.49 C ATOM 1106 O GLU A 70 -21.952 -7.255 4.389 1.00 0.60 O ATOM 1107 CB GLU A 70 -20.897 -5.148 6.572 1.00 0.55 C ATOM 1108 CG GLU A 70 -21.436 -3.757 6.859 1.00 0.49 C ATOM 1109 CD GLU A 70 -21.910 -3.577 8.288 1.00 0.62 C ATOM 1110 OE1 GLU A 70 -21.239 -4.082 9.212 1.00 1.25 O ATOM 1111 OE2 GLU A 70 -22.961 -2.935 8.497 1.00 1.26 O ATOM 0 H GLU A 70 -20.500 -3.309 4.906 1.00 0.31 H new ATOM 0 HA GLU A 70 -19.756 -6.092 5.023 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -21.621 -5.886 6.917 1.00 0.55 H new ATOM 0 HB3 GLU A 70 -19.986 -5.301 7.150 1.00 0.55 H new ATOM 0 HG2 GLU A 70 -20.658 -3.023 6.647 1.00 0.49 H new ATOM 0 HG3 GLU A 70 -22.264 -3.549 6.181 1.00 0.49 H new ATOM 1118 N GLY A 71 -22.644 -5.179 3.894 1.00 0.46 N ATOM 1119 CA GLY A 71 -23.818 -5.616 3.195 1.00 0.57 C ATOM 1120 C GLY A 71 -25.022 -5.695 4.102 1.00 0.69 C ATOM 1121 O GLY A 71 -25.928 -6.502 3.886 1.00 0.92 O ATOM 0 H GLY A 71 -22.532 -4.166 3.937 1.00 0.46 H new ATOM 0 HA2 GLY A 71 -24.027 -4.930 2.374 1.00 0.57 H new ATOM 0 HA3 GLY A 71 -23.633 -6.595 2.753 1.00 0.57 H new ATOM 1125 N LYS A 72 -25.036 -4.844 5.113 1.00 0.67 N ATOM 1126 CA LYS A 72 -26.083 -4.864 6.119 1.00 0.86 C ATOM 1127 C LYS A 72 -27.020 -3.677 5.922 1.00 0.88 C ATOM 1128 O LYS A 72 -26.828 -2.645 6.598 1.00 1.46 O ATOM 1129 CB LYS A 72 -25.461 -4.825 7.517 1.00 1.21 C ATOM 1130 CG LYS A 72 -24.363 -5.854 7.737 1.00 1.17 C ATOM 1131 CD LYS A 72 -24.857 -7.279 7.567 1.00 1.47 C ATOM 1132 CE LYS A 72 -23.727 -8.272 7.785 1.00 2.02 C ATOM 1133 NZ LYS A 72 -24.166 -9.674 7.575 1.00 2.81 N ATOM 1134 OXT LYS A 72 -27.930 -3.772 5.074 1.00 1.29 O ATOM 0 H LYS A 72 -24.328 -4.125 5.259 1.00 0.67 H new ATOM 0 HA LYS A 72 -26.660 -5.783 6.016 1.00 0.86 H new ATOM 0 HB2 LYS A 72 -25.052 -3.830 7.694 1.00 1.21 H new ATOM 0 HB3 LYS A 72 -26.246 -4.983 8.257 1.00 1.21 H new ATOM 0 HG2 LYS A 72 -23.550 -5.669 7.035 1.00 1.17 H new ATOM 0 HG3 LYS A 72 -23.952 -5.733 8.739 1.00 1.17 H new ATOM 0 HD2 LYS A 72 -25.662 -7.476 8.275 1.00 1.47 H new ATOM 0 HD3 LYS A 72 -25.273 -7.408 6.568 1.00 1.47 H new ATOM 0 HE2 LYS A 72 -22.908 -8.043 7.103 1.00 2.02 H new ATOM 0 HE3 LYS A 72 -23.339 -8.162 8.798 1.00 2.02 H new ATOM 0 HZ1 LYS A 72 -23.364 -10.316 7.734 1.00 2.81 H new ATOM 0 HZ2 LYS A 72 -24.930 -9.902 8.243 1.00 2.81 H new ATOM 0 HZ3 LYS A 72 -24.512 -9.787 6.601 1.00 2.81 H new TER 1148 LYS A 72 ATOM 1149 N GLY B -1 21.116 -19.002 -0.580 1.00 4.96 N ATOM 1150 CA GLY B -1 20.396 -20.145 -1.192 1.00 4.18 C ATOM 1151 C GLY B -1 19.121 -19.718 -1.889 1.00 3.25 C ATOM 1152 O GLY B -1 18.025 -20.090 -1.465 1.00 3.46 O ATOM 0 H1 GLY B -1 21.981 -19.345 -0.116 1.00 4.96 H new ATOM 0 H2 GLY B -1 21.369 -18.315 -1.319 1.00 4.96 H new ATOM 0 H3 GLY B -1 20.504 -18.543 0.124 1.00 4.96 H new ATOM 0 HA2 GLY B -1 21.050 -20.641 -1.909 1.00 4.18 H new ATOM 0 HA3 GLY B -1 20.157 -20.876 -0.420 1.00 4.18 H new ATOM 1158 N ALA B 0 19.272 -18.940 -2.961 1.00 2.64 N ATOM 1159 CA ALA B 0 18.141 -18.445 -3.743 1.00 1.94 C ATOM 1160 C ALA B 0 17.189 -17.623 -2.882 1.00 1.54 C ATOM 1161 O ALA B 0 16.118 -18.092 -2.488 1.00 1.85 O ATOM 1162 CB ALA B 0 17.402 -19.594 -4.417 1.00 2.14 C ATOM 0 H ALA B 0 20.181 -18.636 -3.311 1.00 2.64 H new ATOM 0 HA ALA B 0 18.538 -17.791 -4.520 1.00 1.94 H new ATOM 0 HB1 ALA B 0 16.565 -19.200 -4.993 1.00 2.14 H new ATOM 0 HB2 ALA B 0 18.083 -20.124 -5.083 1.00 2.14 H new ATOM 0 HB3 ALA B 0 17.029 -20.282 -3.658 1.00 2.14 H new ATOM 1168 N MET B 1 17.583 -16.395 -2.598 1.00 1.29 N ATOM 1169 CA MET B 1 16.776 -15.508 -1.774 1.00 1.03 C ATOM 1170 C MET B 1 16.604 -14.162 -2.462 1.00 0.87 C ATOM 1171 O MET B 1 17.512 -13.685 -3.143 1.00 0.92 O ATOM 1172 CB MET B 1 17.425 -15.314 -0.398 1.00 1.33 C ATOM 1173 CG MET B 1 18.799 -14.662 -0.447 1.00 2.01 C ATOM 1174 SD MET B 1 19.508 -14.409 1.193 1.00 2.32 S ATOM 1175 CE MET B 1 21.099 -13.705 0.763 1.00 2.92 C ATOM 0 H MET B 1 18.458 -15.987 -2.926 1.00 1.29 H new ATOM 0 HA MET B 1 15.795 -15.963 -1.636 1.00 1.03 H new ATOM 0 HB2 MET B 1 16.767 -14.703 0.220 1.00 1.33 H new ATOM 0 HB3 MET B 1 17.512 -16.284 0.091 1.00 1.33 H new ATOM 0 HG2 MET B 1 19.471 -15.285 -1.037 1.00 2.01 H new ATOM 0 HG3 MET B 1 18.723 -13.702 -0.958 1.00 2.01 H new ATOM 0 HE1 MET B 1 21.660 -13.492 1.673 1.00 2.92 H new ATOM 0 HE2 MET B 1 21.657 -14.413 0.150 1.00 2.92 H new ATOM 0 HE3 MET B 1 20.949 -12.781 0.204 1.00 2.92 H new ATOM 1185 N PRO B 2 15.420 -13.552 -2.331 1.00 0.76 N ATOM 1186 CA PRO B 2 15.165 -12.220 -2.872 1.00 0.64 C ATOM 1187 C PRO B 2 15.975 -11.151 -2.146 1.00 0.58 C ATOM 1188 O PRO B 2 15.946 -11.059 -0.918 1.00 0.64 O ATOM 1189 CB PRO B 2 13.666 -12.014 -2.629 1.00 0.69 C ATOM 1190 CG PRO B 2 13.334 -12.927 -1.501 1.00 0.80 C ATOM 1191 CD PRO B 2 14.232 -14.117 -1.669 1.00 0.84 C ATOM 0 HA PRO B 2 15.449 -12.140 -3.921 1.00 0.64 H new ATOM 0 HB2 PRO B 2 13.445 -10.977 -2.376 1.00 0.69 H new ATOM 0 HB3 PRO B 2 13.084 -12.256 -3.518 1.00 0.69 H new ATOM 0 HG2 PRO B 2 13.503 -12.441 -0.540 1.00 0.80 H new ATOM 0 HG3 PRO B 2 12.285 -13.220 -1.530 1.00 0.80 H new ATOM 0 HD2 PRO B 2 14.483 -14.570 -0.710 1.00 0.84 H new ATOM 0 HD3 PRO B 2 13.764 -14.892 -2.275 1.00 0.84 H new ATOM 1199 N SER B 3 16.702 -10.350 -2.911 1.00 0.51 N ATOM 1200 CA SER B 3 17.499 -9.278 -2.345 1.00 0.47 C ATOM 1201 C SER B 3 16.609 -8.119 -1.911 1.00 0.40 C ATOM 1202 O SER B 3 15.423 -8.093 -2.229 1.00 0.37 O ATOM 1203 CB SER B 3 18.522 -8.787 -3.369 1.00 0.46 C ATOM 1204 OG SER B 3 19.291 -9.862 -3.876 1.00 0.59 O ATOM 0 H SER B 3 16.755 -10.424 -3.927 1.00 0.51 H new ATOM 0 HA SER B 3 18.022 -9.664 -1.470 1.00 0.47 H new ATOM 0 HB2 SER B 3 18.008 -8.285 -4.189 1.00 0.46 H new ATOM 0 HB3 SER B 3 19.180 -8.051 -2.907 1.00 0.46 H new ATOM 0 HG SER B 3 20.164 -9.529 -4.171 1.00 0.59 H new ATOM 1210 N LYS B 4 17.184 -7.166 -1.199 1.00 0.41 N ATOM 1211 CA LYS B 4 16.465 -5.967 -0.780 1.00 0.41 C ATOM 1212 C LYS B 4 15.814 -5.262 -1.973 1.00 0.29 C ATOM 1213 O LYS B 4 14.739 -4.677 -1.846 1.00 0.27 O ATOM 1214 CB LYS B 4 17.439 -5.033 -0.070 1.00 0.54 C ATOM 1215 CG LYS B 4 18.037 -5.654 1.180 1.00 0.84 C ATOM 1216 CD LYS B 4 19.303 -4.949 1.642 1.00 0.95 C ATOM 1217 CE LYS B 4 19.086 -3.472 1.917 1.00 0.62 C ATOM 1218 NZ LYS B 4 19.210 -2.652 0.684 1.00 1.79 N ATOM 0 H LYS B 4 18.157 -7.197 -0.894 1.00 0.41 H new ATOM 0 HA LYS B 4 15.664 -6.252 -0.098 1.00 0.41 H new ATOM 0 HB2 LYS B 4 18.241 -4.761 -0.756 1.00 0.54 H new ATOM 0 HB3 LYS B 4 16.923 -4.111 0.198 1.00 0.54 H new ATOM 0 HG2 LYS B 4 17.299 -5.628 1.982 1.00 0.84 H new ATOM 0 HG3 LYS B 4 18.261 -6.703 0.987 1.00 0.84 H new ATOM 0 HD2 LYS B 4 19.673 -5.432 2.546 1.00 0.95 H new ATOM 0 HD3 LYS B 4 20.075 -5.063 0.881 1.00 0.95 H new ATOM 0 HE2 LYS B 4 18.097 -3.326 2.352 1.00 0.62 H new ATOM 0 HE3 LYS B 4 19.812 -3.130 2.654 1.00 0.62 H new ATOM 0 HZ1 LYS B 4 19.411 -1.665 0.942 1.00 1.79 H new ATOM 0 HZ2 LYS B 4 19.986 -3.021 0.098 1.00 1.79 H new ATOM 0 HZ3 LYS B 4 18.320 -2.695 0.147 1.00 1.79 H new ATOM 1232 N LEU B 5 16.459 -5.334 -3.133 1.00 0.26 N ATOM 1233 CA LEU B 5 15.924 -4.722 -4.341 1.00 0.21 C ATOM 1234 C LEU B 5 14.747 -5.521 -4.877 1.00 0.18 C ATOM 1235 O LEU B 5 13.796 -4.949 -5.394 1.00 0.17 O ATOM 1236 CB LEU B 5 17.018 -4.545 -5.397 1.00 0.22 C ATOM 1237 CG LEU B 5 16.559 -4.035 -6.762 1.00 0.25 C ATOM 1238 CD1 LEU B 5 17.571 -3.053 -7.325 1.00 0.27 C ATOM 1239 CD2 LEU B 5 16.366 -5.192 -7.731 1.00 0.32 C ATOM 0 H LEU B 5 17.352 -5.810 -3.261 1.00 0.26 H new ATOM 0 HA LEU B 5 15.556 -3.728 -4.086 1.00 0.21 H new ATOM 0 HB2 LEU B 5 17.764 -3.853 -5.006 1.00 0.22 H new ATOM 0 HB3 LEU B 5 17.516 -5.504 -5.539 1.00 0.22 H new ATOM 0 HG LEU B 5 15.604 -3.526 -6.632 1.00 0.25 H new ATOM 0 HD11 LEU B 5 17.231 -2.698 -8.298 1.00 0.27 H new ATOM 0 HD12 LEU B 5 17.674 -2.207 -6.645 1.00 0.27 H new ATOM 0 HD13 LEU B 5 18.536 -3.548 -7.436 1.00 0.27 H new ATOM 0 HD21 LEU B 5 16.039 -4.807 -8.697 1.00 0.32 H new ATOM 0 HD22 LEU B 5 17.309 -5.725 -7.853 1.00 0.32 H new ATOM 0 HD23 LEU B 5 15.612 -5.874 -7.338 1.00 0.32 H new ATOM 1251 N ALA B 6 14.811 -6.841 -4.763 1.00 0.22 N ATOM 1252 CA ALA B 6 13.653 -7.670 -5.068 1.00 0.26 C ATOM 1253 C ALA B 6 12.451 -7.186 -4.265 1.00 0.24 C ATOM 1254 O ALA B 6 11.350 -7.061 -4.801 1.00 0.27 O ATOM 1255 CB ALA B 6 13.936 -9.138 -4.780 1.00 0.35 C ATOM 0 H ALA B 6 15.640 -7.355 -4.466 1.00 0.22 H new ATOM 0 HA ALA B 6 13.432 -7.581 -6.132 1.00 0.26 H new ATOM 0 HB1 ALA B 6 13.053 -9.732 -5.017 1.00 0.35 H new ATOM 0 HB2 ALA B 6 14.774 -9.474 -5.391 1.00 0.35 H new ATOM 0 HB3 ALA B 6 14.183 -9.261 -3.726 1.00 0.35 H new ATOM 1261 N LEU B 7 12.689 -6.875 -2.991 1.00 0.22 N ATOM 1262 CA LEU B 7 11.644 -6.360 -2.108 1.00 0.22 C ATOM 1263 C LEU B 7 11.161 -4.981 -2.550 1.00 0.18 C ATOM 1264 O LEU B 7 9.967 -4.779 -2.764 1.00 0.19 O ATOM 1265 CB LEU B 7 12.167 -6.254 -0.671 1.00 0.24 C ATOM 1266 CG LEU B 7 12.138 -7.531 0.173 1.00 0.29 C ATOM 1267 CD1 LEU B 7 12.903 -8.665 -0.493 1.00 0.31 C ATOM 1268 CD2 LEU B 7 12.712 -7.241 1.549 1.00 0.32 C ATOM 0 H LEU B 7 13.602 -6.972 -2.546 1.00 0.22 H new ATOM 0 HA LEU B 7 10.810 -7.060 -2.157 1.00 0.22 H new ATOM 0 HB2 LEU B 7 13.196 -5.897 -0.710 1.00 0.24 H new ATOM 0 HB3 LEU B 7 11.584 -5.492 -0.153 1.00 0.24 H new ATOM 0 HG LEU B 7 11.101 -7.853 0.269 1.00 0.29 H new ATOM 0 HD11 LEU B 7 12.859 -9.553 0.137 1.00 0.31 H new ATOM 0 HD12 LEU B 7 12.456 -8.885 -1.462 1.00 0.31 H new ATOM 0 HD13 LEU B 7 13.943 -8.370 -0.632 1.00 0.31 H new ATOM 0 HD21 LEU B 7 12.692 -8.150 2.151 1.00 0.32 H new ATOM 0 HD22 LEU B 7 13.741 -6.895 1.449 1.00 0.32 H new ATOM 0 HD23 LEU B 7 12.116 -6.470 2.037 1.00 0.32 H new ATOM 1280 N ILE B 8 12.091 -4.036 -2.691 1.00 0.16 N ATOM 1281 CA ILE B 8 11.739 -2.670 -3.085 1.00 0.15 C ATOM 1282 C ILE B 8 11.009 -2.653 -4.433 1.00 0.16 C ATOM 1283 O ILE B 8 10.104 -1.855 -4.643 1.00 0.18 O ATOM 1284 CB ILE B 8 12.968 -1.710 -3.090 1.00 0.16 C ATOM 1285 CG1 ILE B 8 14.089 -2.209 -3.990 1.00 0.19 C ATOM 1286 CG2 ILE B 8 13.481 -1.501 -1.673 1.00 0.16 C ATOM 1287 CD1 ILE B 8 14.050 -1.624 -5.385 1.00 0.23 C ATOM 0 H ILE B 8 13.088 -4.189 -2.540 1.00 0.16 H new ATOM 0 HA ILE B 8 11.055 -2.291 -2.325 1.00 0.15 H new ATOM 0 HB ILE B 8 12.630 -0.757 -3.496 1.00 0.16 H new ATOM 0 HG12 ILE B 8 15.048 -1.968 -3.530 1.00 0.19 H new ATOM 0 HG13 ILE B 8 14.033 -3.295 -4.059 1.00 0.19 H new ATOM 0 HG21 ILE B 8 14.339 -0.829 -1.692 1.00 0.16 H new ATOM 0 HG22 ILE B 8 12.692 -1.065 -1.061 1.00 0.16 H new ATOM 0 HG23 ILE B 8 13.781 -2.460 -1.249 1.00 0.16 H new ATOM 0 HD11 ILE B 8 14.878 -2.024 -5.971 1.00 0.23 H new ATOM 0 HD12 ILE B 8 13.107 -1.887 -5.864 1.00 0.23 H new ATOM 0 HD13 ILE B 8 14.137 -0.539 -5.327 1.00 0.23 H new ATOM 1299 N GLN B 9 11.385 -3.560 -5.330 1.00 0.16 N ATOM 1300 CA GLN B 9 10.746 -3.661 -6.641 1.00 0.20 C ATOM 1301 C GLN B 9 9.358 -4.299 -6.559 1.00 0.22 C ATOM 1302 O GLN B 9 8.468 -3.941 -7.320 1.00 0.25 O ATOM 1303 CB GLN B 9 11.620 -4.467 -7.605 1.00 0.22 C ATOM 1304 CG GLN B 9 12.818 -3.703 -8.144 1.00 0.27 C ATOM 1305 CD GLN B 9 12.440 -2.705 -9.222 1.00 0.99 C ATOM 1306 OE1 GLN B 9 12.404 -3.041 -10.404 1.00 1.94 O ATOM 1307 NE2 GLN B 9 12.178 -1.472 -8.830 1.00 1.38 N ATOM 0 H GLN B 9 12.131 -4.238 -5.173 1.00 0.16 H new ATOM 0 HA GLN B 9 10.629 -2.644 -7.014 1.00 0.20 H new ATOM 0 HB2 GLN B 9 11.974 -5.363 -7.095 1.00 0.22 H new ATOM 0 HB3 GLN B 9 11.007 -4.798 -8.443 1.00 0.22 H new ATOM 0 HG2 GLN B 9 13.307 -3.178 -7.324 1.00 0.27 H new ATOM 0 HG3 GLN B 9 13.543 -4.410 -8.547 1.00 0.27 H new ATOM 0 HE21 GLN B 9 12.218 -1.232 -7.839 1.00 1.38 H new ATOM 0 HE22 GLN B 9 11.935 -0.759 -9.518 1.00 1.38 H new ATOM 1316 N GLU B 10 9.189 -5.276 -5.676 1.00 0.23 N ATOM 1317 CA GLU B 10 7.916 -5.991 -5.566 1.00 0.27 C ATOM 1318 C GLU B 10 6.880 -5.224 -4.764 1.00 0.25 C ATOM 1319 O GLU B 10 5.694 -5.523 -4.867 1.00 0.28 O ATOM 1320 CB GLU B 10 8.105 -7.403 -4.996 1.00 0.31 C ATOM 1321 CG GLU B 10 8.555 -7.436 -3.542 1.00 0.31 C ATOM 1322 CD GLU B 10 8.713 -8.846 -3.003 1.00 0.39 C ATOM 1323 OE1 GLU B 10 7.683 -9.501 -2.731 1.00 1.09 O ATOM 1324 OE2 GLU B 10 9.857 -9.302 -2.836 1.00 1.23 O ATOM 0 H GLU B 10 9.910 -5.592 -5.028 1.00 0.23 H new ATOM 0 HA GLU B 10 7.534 -6.081 -6.583 1.00 0.27 H new ATOM 0 HB2 GLU B 10 7.165 -7.947 -5.086 1.00 0.31 H new ATOM 0 HB3 GLU B 10 8.839 -7.932 -5.604 1.00 0.31 H new ATOM 0 HG2 GLU B 10 9.504 -6.909 -3.449 1.00 0.31 H new ATOM 0 HG3 GLU B 10 7.830 -6.898 -2.931 1.00 0.31 H new ATOM 1331 N LEU B 11 7.320 -4.277 -3.938 1.00 0.22 N ATOM 1332 CA LEU B 11 6.399 -3.469 -3.131 1.00 0.21 C ATOM 1333 C LEU B 11 5.182 -2.990 -3.945 1.00 0.22 C ATOM 1334 O LEU B 11 4.046 -3.174 -3.507 1.00 0.21 O ATOM 1335 CB LEU B 11 7.123 -2.268 -2.502 1.00 0.21 C ATOM 1336 CG LEU B 11 8.275 -2.616 -1.560 1.00 0.19 C ATOM 1337 CD1 LEU B 11 8.846 -1.355 -0.939 1.00 0.21 C ATOM 1338 CD2 LEU B 11 7.823 -3.586 -0.480 1.00 0.19 C ATOM 0 H LEU B 11 8.305 -4.048 -3.808 1.00 0.22 H new ATOM 0 HA LEU B 11 6.031 -4.114 -2.333 1.00 0.21 H new ATOM 0 HB2 LEU B 11 7.509 -1.638 -3.303 1.00 0.21 H new ATOM 0 HB3 LEU B 11 6.394 -1.673 -1.952 1.00 0.21 H new ATOM 0 HG LEU B 11 9.056 -3.103 -2.143 1.00 0.19 H new ATOM 0 HD11 LEU B 11 9.666 -1.618 -0.270 1.00 0.21 H new ATOM 0 HD12 LEU B 11 9.216 -0.697 -1.726 1.00 0.21 H new ATOM 0 HD13 LEU B 11 8.067 -0.843 -0.374 1.00 0.21 H new ATOM 0 HD21 LEU B 11 8.662 -3.817 0.176 1.00 0.19 H new ATOM 0 HD22 LEU B 11 7.020 -3.134 0.103 1.00 0.19 H new ATOM 0 HD23 LEU B 11 7.462 -4.504 -0.943 1.00 0.19 H new ATOM 1350 N PRO B 12 5.383 -2.372 -5.137 1.00 0.23 N ATOM 1351 CA PRO B 12 4.272 -1.952 -5.994 1.00 0.26 C ATOM 1352 C PRO B 12 3.329 -3.094 -6.368 1.00 0.27 C ATOM 1353 O PRO B 12 2.113 -2.912 -6.409 1.00 0.29 O ATOM 1354 CB PRO B 12 4.944 -1.373 -7.245 1.00 0.32 C ATOM 1355 CG PRO B 12 6.370 -1.792 -7.168 1.00 0.29 C ATOM 1356 CD PRO B 12 6.678 -1.979 -5.711 1.00 0.24 C ATOM 0 HA PRO B 12 3.638 -1.234 -5.474 1.00 0.26 H new ATOM 0 HB2 PRO B 12 4.473 -1.751 -8.153 1.00 0.32 H new ATOM 0 HB3 PRO B 12 4.856 -0.287 -7.269 1.00 0.32 H new ATOM 0 HG2 PRO B 12 6.534 -2.717 -7.721 1.00 0.29 H new ATOM 0 HG3 PRO B 12 7.021 -1.037 -7.609 1.00 0.29 H new ATOM 0 HD2 PRO B 12 7.436 -2.747 -5.556 1.00 0.24 H new ATOM 0 HD3 PRO B 12 7.056 -1.062 -5.259 1.00 0.24 H new ATOM 1364 N ASP B 13 3.888 -4.268 -6.621 1.00 0.27 N ATOM 1365 CA ASP B 13 3.084 -5.441 -6.964 1.00 0.29 C ATOM 1366 C ASP B 13 2.291 -5.904 -5.753 1.00 0.26 C ATOM 1367 O ASP B 13 1.096 -6.189 -5.845 1.00 0.25 O ATOM 1368 CB ASP B 13 3.983 -6.574 -7.470 1.00 0.35 C ATOM 1369 CG ASP B 13 3.223 -7.865 -7.723 1.00 1.17 C ATOM 1370 OD1 ASP B 13 3.119 -8.696 -6.794 1.00 1.70 O ATOM 1371 OD2 ASP B 13 2.758 -8.071 -8.863 1.00 2.01 O ATOM 0 H ASP B 13 4.893 -4.438 -6.596 1.00 0.27 H new ATOM 0 HA ASP B 13 2.389 -5.167 -7.757 1.00 0.29 H new ATOM 0 HB2 ASP B 13 4.471 -6.259 -8.392 1.00 0.35 H new ATOM 0 HB3 ASP B 13 4.771 -6.759 -6.740 1.00 0.35 H new ATOM 1376 N ARG B 14 2.976 -5.966 -4.623 1.00 0.27 N ATOM 1377 CA ARG B 14 2.356 -6.305 -3.351 1.00 0.27 C ATOM 1378 C ARG B 14 1.190 -5.392 -3.047 1.00 0.24 C ATOM 1379 O ARG B 14 0.156 -5.849 -2.599 1.00 0.25 O ATOM 1380 CB ARG B 14 3.354 -6.188 -2.212 1.00 0.31 C ATOM 1381 CG ARG B 14 4.353 -7.313 -2.132 1.00 0.42 C ATOM 1382 CD ARG B 14 5.342 -7.046 -1.015 1.00 0.37 C ATOM 1383 NE ARG B 14 6.364 -8.080 -0.925 1.00 0.86 N ATOM 1384 CZ ARG B 14 6.797 -8.595 0.218 1.00 0.60 C ATOM 1385 NH1 ARG B 14 6.250 -8.219 1.366 1.00 1.20 N ATOM 1386 NH2 ARG B 14 7.763 -9.499 0.207 1.00 1.04 N ATOM 0 H ARG B 14 3.978 -5.783 -4.561 1.00 0.27 H new ATOM 0 HA ARG B 14 2.005 -7.333 -3.437 1.00 0.27 H new ATOM 0 HB2 ARG B 14 3.894 -5.247 -2.316 1.00 0.31 H new ATOM 0 HB3 ARG B 14 2.806 -6.139 -1.271 1.00 0.31 H new ATOM 0 HG2 ARG B 14 3.837 -8.257 -1.955 1.00 0.42 H new ATOM 0 HG3 ARG B 14 4.880 -7.411 -3.081 1.00 0.42 H new ATOM 0 HD2 ARG B 14 5.819 -6.080 -1.178 1.00 0.37 H new ATOM 0 HD3 ARG B 14 4.808 -6.982 -0.067 1.00 0.37 H new ATOM 0 HE ARG B 14 6.771 -8.429 -1.793 1.00 0.86 H new ATOM 0 HH11 ARG B 14 5.495 -7.533 1.371 1.00 1.20 H new ATOM 0 HH12 ARG B 14 6.584 -8.616 2.244 1.00 1.20 H new ATOM 0 HH21 ARG B 14 8.172 -9.798 -0.678 1.00 1.04 H new ATOM 0 HH22 ARG B 14 8.099 -9.897 1.084 1.00 1.04 H new ATOM 1400 N ILE B 15 1.368 -4.101 -3.275 1.00 0.22 N ATOM 1401 CA ILE B 15 0.334 -3.135 -2.953 1.00 0.22 C ATOM 1402 C ILE B 15 -0.788 -3.192 -3.979 1.00 0.21 C ATOM 1403 O ILE B 15 -1.955 -3.002 -3.646 1.00 0.21 O ATOM 1404 CB ILE B 15 0.919 -1.710 -2.835 1.00 0.23 C ATOM 1405 CG1 ILE B 15 0.320 -0.997 -1.617 1.00 0.26 C ATOM 1406 CG2 ILE B 15 0.702 -0.897 -4.101 1.00 0.21 C ATOM 1407 CD1 ILE B 15 -1.121 -0.574 -1.773 1.00 0.29 C ATOM 0 H ILE B 15 2.214 -3.701 -3.680 1.00 0.22 H new ATOM 0 HA ILE B 15 -0.085 -3.395 -1.981 1.00 0.22 H new ATOM 0 HB ILE B 15 1.997 -1.802 -2.699 1.00 0.23 H new ATOM 0 HG12 ILE B 15 0.398 -1.657 -0.753 1.00 0.26 H new ATOM 0 HG13 ILE B 15 0.921 -0.114 -1.399 1.00 0.26 H new ATOM 0 HG21 ILE B 15 1.129 0.097 -3.972 1.00 0.21 H new ATOM 0 HG22 ILE B 15 1.187 -1.395 -4.941 1.00 0.21 H new ATOM 0 HG23 ILE B 15 -0.366 -0.810 -4.299 1.00 0.21 H new ATOM 0 HD11 ILE B 15 -1.456 -0.079 -0.861 1.00 0.29 H new ATOM 0 HD12 ILE B 15 -1.209 0.115 -2.613 1.00 0.29 H new ATOM 0 HD13 ILE B 15 -1.740 -1.452 -1.957 1.00 0.29 H new ATOM 1419 N GLN B 16 -0.436 -3.481 -5.224 1.00 0.22 N ATOM 1420 CA GLN B 16 -1.434 -3.702 -6.250 1.00 0.24 C ATOM 1421 C GLN B 16 -2.278 -4.908 -5.869 1.00 0.23 C ATOM 1422 O GLN B 16 -3.464 -4.963 -6.151 1.00 0.25 O ATOM 1423 CB GLN B 16 -0.762 -3.907 -7.609 1.00 0.29 C ATOM 1424 CG GLN B 16 -1.737 -4.195 -8.740 1.00 0.92 C ATOM 1425 CD GLN B 16 -1.057 -4.264 -10.093 1.00 1.21 C ATOM 1426 OE1 GLN B 16 0.120 -4.616 -10.193 1.00 1.80 O ATOM 1427 NE2 GLN B 16 -1.793 -3.935 -11.144 1.00 1.82 N ATOM 0 H GLN B 16 0.529 -3.567 -5.543 1.00 0.22 H new ATOM 0 HA GLN B 16 -2.081 -2.828 -6.330 1.00 0.24 H new ATOM 0 HB2 GLN B 16 -0.186 -3.015 -7.857 1.00 0.29 H new ATOM 0 HB3 GLN B 16 -0.055 -4.733 -7.533 1.00 0.29 H new ATOM 0 HG2 GLN B 16 -2.246 -5.139 -8.545 1.00 0.92 H new ATOM 0 HG3 GLN B 16 -2.502 -3.419 -8.761 1.00 0.92 H new ATOM 0 HE21 GLN B 16 -2.764 -3.649 -11.017 1.00 1.82 H new ATOM 0 HE22 GLN B 16 -1.389 -3.968 -12.080 1.00 1.82 H new ATOM 1436 N THR B 17 -1.647 -5.850 -5.188 1.00 0.24 N ATOM 1437 CA THR B 17 -2.313 -7.051 -4.716 1.00 0.26 C ATOM 1438 C THR B 17 -3.040 -6.809 -3.389 1.00 0.24 C ATOM 1439 O THR B 17 -4.086 -7.396 -3.121 1.00 0.34 O ATOM 1440 CB THR B 17 -1.286 -8.189 -4.565 1.00 0.31 C ATOM 1441 OG1 THR B 17 -0.561 -8.350 -5.793 1.00 0.32 O ATOM 1442 CG2 THR B 17 -1.944 -9.504 -4.195 1.00 0.43 C ATOM 0 H THR B 17 -0.657 -5.803 -4.947 1.00 0.24 H new ATOM 0 HA THR B 17 -3.064 -7.335 -5.453 1.00 0.26 H new ATOM 0 HB THR B 17 -0.608 -7.915 -3.757 1.00 0.31 H new ATOM 0 HG1 THR B 17 0.102 -7.633 -5.878 1.00 0.32 H new ATOM 0 HG21 THR B 17 -1.182 -10.278 -4.099 1.00 0.43 H new ATOM 0 HG22 THR B 17 -2.470 -9.393 -3.247 1.00 0.43 H new ATOM 0 HG23 THR B 17 -2.653 -9.788 -4.973 1.00 0.43 H new ATOM 1450 N ALA B 18 -2.480 -5.941 -2.568 1.00 0.20 N ATOM 1451 CA ALA B 18 -3.105 -5.541 -1.321 1.00 0.21 C ATOM 1452 C ALA B 18 -4.401 -4.813 -1.606 1.00 0.19 C ATOM 1453 O ALA B 18 -5.346 -4.860 -0.825 1.00 0.25 O ATOM 1454 CB ALA B 18 -2.162 -4.653 -0.520 1.00 0.26 C ATOM 0 H ALA B 18 -1.581 -5.494 -2.746 1.00 0.20 H new ATOM 0 HA ALA B 18 -3.324 -6.432 -0.732 1.00 0.21 H new ATOM 0 HB1 ALA B 18 -2.643 -4.360 0.413 1.00 0.26 H new ATOM 0 HB2 ALA B 18 -1.246 -5.201 -0.300 1.00 0.26 H new ATOM 0 HB3 ALA B 18 -1.921 -3.762 -1.100 1.00 0.26 H new ATOM 1460 N VAL B 19 -4.435 -4.164 -2.754 1.00 0.19 N ATOM 1461 CA VAL B 19 -5.520 -3.273 -3.091 1.00 0.24 C ATOM 1462 C VAL B 19 -6.384 -3.789 -4.262 1.00 0.25 C ATOM 1463 O VAL B 19 -7.460 -3.247 -4.529 1.00 0.32 O ATOM 1464 CB VAL B 19 -4.917 -1.871 -3.366 1.00 0.45 C ATOM 1465 CG1 VAL B 19 -5.901 -0.907 -3.959 1.00 1.06 C ATOM 1466 CG2 VAL B 19 -4.349 -1.295 -2.082 1.00 1.78 C ATOM 0 H VAL B 19 -3.715 -4.241 -3.472 1.00 0.19 H new ATOM 0 HA VAL B 19 -6.214 -3.217 -2.252 1.00 0.24 H new ATOM 0 HB VAL B 19 -4.128 -2.010 -4.105 1.00 0.45 H new ATOM 0 HG11 VAL B 19 -5.414 0.054 -4.126 1.00 1.06 H new ATOM 0 HG12 VAL B 19 -6.267 -1.298 -4.908 1.00 1.06 H new ATOM 0 HG13 VAL B 19 -6.739 -0.775 -3.274 1.00 1.06 H new ATOM 0 HG21 VAL B 19 -3.927 -0.310 -2.281 1.00 1.78 H new ATOM 0 HG22 VAL B 19 -5.143 -1.206 -1.340 1.00 1.78 H new ATOM 0 HG23 VAL B 19 -3.569 -1.954 -1.701 1.00 1.78 H new ATOM 1476 N GLU B 20 -5.959 -4.868 -4.922 1.00 0.24 N ATOM 1477 CA GLU B 20 -6.722 -5.410 -6.056 1.00 0.31 C ATOM 1478 C GLU B 20 -8.120 -5.844 -5.628 1.00 0.31 C ATOM 1479 O GLU B 20 -9.085 -5.678 -6.374 1.00 0.33 O ATOM 1480 CB GLU B 20 -5.976 -6.562 -6.765 1.00 0.40 C ATOM 1481 CG GLU B 20 -5.423 -7.664 -5.861 1.00 0.42 C ATOM 1482 CD GLU B 20 -6.474 -8.615 -5.316 1.00 0.92 C ATOM 1483 OE1 GLU B 20 -7.154 -9.289 -6.119 1.00 1.66 O ATOM 1484 OE2 GLU B 20 -6.606 -8.713 -4.079 1.00 1.61 O ATOM 0 H GLU B 20 -5.105 -5.379 -4.699 1.00 0.24 H new ATOM 0 HA GLU B 20 -6.826 -4.602 -6.780 1.00 0.31 H new ATOM 0 HB2 GLU B 20 -6.655 -7.018 -7.485 1.00 0.40 H new ATOM 0 HB3 GLU B 20 -5.148 -6.136 -7.332 1.00 0.40 H new ATOM 0 HG2 GLU B 20 -4.685 -8.239 -6.420 1.00 0.42 H new ATOM 0 HG3 GLU B 20 -4.900 -7.202 -5.024 1.00 0.42 H new ATOM 1491 N ALA B 21 -8.212 -6.385 -4.424 1.00 0.31 N ATOM 1492 CA ALA B 21 -9.489 -6.785 -3.849 1.00 0.33 C ATOM 1493 C ALA B 21 -10.458 -5.608 -3.804 1.00 0.27 C ATOM 1494 O ALA B 21 -11.612 -5.719 -4.221 1.00 0.26 O ATOM 1495 CB ALA B 21 -9.278 -7.355 -2.456 1.00 0.38 C ATOM 0 H ALA B 21 -7.409 -6.559 -3.819 1.00 0.31 H new ATOM 0 HA ALA B 21 -9.926 -7.557 -4.483 1.00 0.33 H new ATOM 0 HB1 ALA B 21 -10.239 -7.651 -2.035 1.00 0.38 H new ATOM 0 HB2 ALA B 21 -8.624 -8.225 -2.514 1.00 0.38 H new ATOM 0 HB3 ALA B 21 -8.820 -6.598 -1.819 1.00 0.38 H new ATOM 1501 N ALA B 22 -9.969 -4.473 -3.321 1.00 0.27 N ATOM 1502 CA ALA B 22 -10.785 -3.275 -3.190 1.00 0.27 C ATOM 1503 C ALA B 22 -11.055 -2.628 -4.546 1.00 0.27 C ATOM 1504 O ALA B 22 -12.081 -1.978 -4.742 1.00 0.31 O ATOM 1505 CB ALA B 22 -10.133 -2.287 -2.242 1.00 0.33 C ATOM 0 H ALA B 22 -9.004 -4.358 -3.012 1.00 0.27 H new ATOM 0 HA ALA B 22 -11.747 -3.573 -2.773 1.00 0.27 H new ATOM 0 HB1 ALA B 22 -10.758 -1.398 -2.157 1.00 0.33 H new ATOM 0 HB2 ALA B 22 -10.019 -2.746 -1.260 1.00 0.33 H new ATOM 0 HB3 ALA B 22 -9.153 -2.006 -2.627 1.00 0.33 H new ATOM 1511 N MET B 23 -10.119 -2.765 -5.471 1.00 0.28 N ATOM 1512 CA MET B 23 -10.333 -2.263 -6.823 1.00 0.32 C ATOM 1513 C MET B 23 -11.375 -3.114 -7.535 1.00 0.33 C ATOM 1514 O MET B 23 -12.214 -2.597 -8.271 1.00 0.37 O ATOM 1515 CB MET B 23 -9.032 -2.237 -7.622 1.00 0.35 C ATOM 1516 CG MET B 23 -7.999 -1.247 -7.100 1.00 0.41 C ATOM 1517 SD MET B 23 -8.643 0.430 -6.904 1.00 0.76 S ATOM 1518 CE MET B 23 -9.065 0.432 -5.163 1.00 0.77 C ATOM 0 H MET B 23 -9.215 -3.212 -5.317 1.00 0.28 H new ATOM 0 HA MET B 23 -10.696 -1.238 -6.749 1.00 0.32 H new ATOM 0 HB2 MET B 23 -8.596 -3.236 -7.618 1.00 0.35 H new ATOM 0 HB3 MET B 23 -9.261 -1.993 -8.660 1.00 0.35 H new ATOM 0 HG2 MET B 23 -7.624 -1.598 -6.139 1.00 0.41 H new ATOM 0 HG3 MET B 23 -7.151 -1.224 -7.784 1.00 0.41 H new ATOM 0 HE1 MET B 23 -8.961 1.441 -4.765 1.00 0.77 H new ATOM 0 HE2 MET B 23 -10.095 0.097 -5.038 1.00 0.77 H new ATOM 0 HE3 MET B 23 -8.396 -0.241 -4.626 1.00 0.77 H new ATOM 1528 N GLY B 24 -11.327 -4.419 -7.291 1.00 0.34 N ATOM 1529 CA GLY B 24 -12.326 -5.328 -7.826 1.00 0.39 C ATOM 1530 C GLY B 24 -13.650 -5.239 -7.090 1.00 0.43 C ATOM 1531 O GLY B 24 -14.522 -6.095 -7.250 1.00 0.63 O ATOM 0 H GLY B 24 -10.606 -4.868 -6.726 1.00 0.34 H new ATOM 0 HA2 GLY B 24 -12.486 -5.106 -8.881 1.00 0.39 H new ATOM 0 HA3 GLY B 24 -11.950 -6.350 -7.768 1.00 0.39 H new ATOM 1535 N MET B 25 -13.793 -4.211 -6.264 1.00 0.42 N ATOM 1536 CA MET B 25 -15.043 -3.946 -5.574 1.00 0.46 C ATOM 1537 C MET B 25 -16.113 -3.555 -6.583 1.00 0.44 C ATOM 1538 O MET B 25 -15.885 -2.707 -7.444 1.00 0.48 O ATOM 1539 CB MET B 25 -14.873 -2.815 -4.573 1.00 0.59 C ATOM 1540 CG MET B 25 -16.018 -2.725 -3.589 1.00 0.60 C ATOM 1541 SD MET B 25 -15.748 -3.723 -2.122 1.00 0.99 S ATOM 1542 CE MET B 25 -14.795 -2.580 -1.134 1.00 0.45 C ATOM 0 H MET B 25 -13.050 -3.543 -6.056 1.00 0.42 H new ATOM 0 HA MET B 25 -15.341 -4.851 -5.044 1.00 0.46 H new ATOM 0 HB2 MET B 25 -13.941 -2.957 -4.026 1.00 0.59 H new ATOM 0 HB3 MET B 25 -14.787 -1.871 -5.110 1.00 0.59 H new ATOM 0 HG2 MET B 25 -16.159 -1.685 -3.295 1.00 0.60 H new ATOM 0 HG3 MET B 25 -16.938 -3.046 -4.078 1.00 0.60 H new ATOM 0 HE1 MET B 25 -15.149 -2.607 -0.104 1.00 0.45 H new ATOM 0 HE2 MET B 25 -13.743 -2.863 -1.163 1.00 0.45 H new ATOM 0 HE3 MET B 25 -14.911 -1.572 -1.531 1.00 0.45 H new ATOM 1552 N SER B 26 -17.265 -4.188 -6.476 1.00 0.51 N ATOM 1553 CA SER B 26 -18.394 -3.887 -7.337 1.00 0.60 C ATOM 1554 C SER B 26 -19.062 -2.579 -6.919 1.00 0.83 C ATOM 1555 O SER B 26 -19.061 -1.604 -7.669 1.00 1.79 O ATOM 1556 CB SER B 26 -19.379 -5.047 -7.276 1.00 0.63 C ATOM 1557 OG SER B 26 -19.515 -5.514 -5.941 1.00 1.43 O ATOM 0 H SER B 26 -17.445 -4.923 -5.792 1.00 0.51 H new ATOM 0 HA SER B 26 -18.048 -3.760 -8.363 1.00 0.60 H new ATOM 0 HB2 SER B 26 -20.349 -4.728 -7.657 1.00 0.63 H new ATOM 0 HB3 SER B 26 -19.035 -5.858 -7.918 1.00 0.63 H new ATOM 0 HG SER B 26 -20.152 -6.258 -5.918 1.00 1.43 H new ATOM 1563 N TYR B 27 -19.643 -2.611 -5.716 1.00 0.48 N ATOM 1564 CA TYR B 27 -20.120 -1.434 -4.968 1.00 0.47 C ATOM 1565 C TYR B 27 -21.129 -0.552 -5.723 1.00 0.48 C ATOM 1566 O TYR B 27 -21.568 0.465 -5.187 1.00 0.54 O ATOM 1567 CB TYR B 27 -18.938 -0.588 -4.438 1.00 0.47 C ATOM 1568 CG TYR B 27 -18.217 0.266 -5.469 1.00 0.42 C ATOM 1569 CD1 TYR B 27 -18.749 1.476 -5.880 1.00 1.16 C ATOM 1570 CD2 TYR B 27 -17.008 -0.134 -6.026 1.00 1.36 C ATOM 1571 CE1 TYR B 27 -18.107 2.268 -6.810 1.00 1.18 C ATOM 1572 CE2 TYR B 27 -16.359 0.651 -6.958 1.00 1.39 C ATOM 1573 CZ TYR B 27 -16.912 1.850 -7.350 1.00 0.54 C ATOM 1574 OH TYR B 27 -16.264 2.635 -8.277 1.00 0.68 O ATOM 0 H TYR B 27 -19.802 -3.485 -5.215 1.00 0.48 H new ATOM 0 HA TYR B 27 -20.675 -1.847 -4.125 1.00 0.47 H new ATOM 0 HB2 TYR B 27 -19.310 0.066 -3.649 1.00 0.47 H new ATOM 0 HB3 TYR B 27 -18.212 -1.260 -3.980 1.00 0.47 H new ATOM 0 HD1 TYR B 27 -19.688 1.808 -5.463 1.00 1.16 H new ATOM 0 HD2 TYR B 27 -16.569 -1.074 -5.725 1.00 1.36 H new ATOM 0 HE1 TYR B 27 -18.540 3.210 -7.112 1.00 1.18 H new ATOM 0 HE2 TYR B 27 -15.419 0.325 -7.379 1.00 1.39 H new ATOM 0 HH TYR B 27 -15.434 2.194 -8.556 1.00 0.68 H new ATOM 1584 N GLN B 28 -21.527 -0.944 -6.929 1.00 0.53 N ATOM 1585 CA GLN B 28 -22.486 -0.155 -7.704 1.00 0.62 C ATOM 1586 C GLN B 28 -23.911 -0.491 -7.282 1.00 0.70 C ATOM 1587 O GLN B 28 -24.883 0.091 -7.773 1.00 0.86 O ATOM 1588 CB GLN B 28 -22.295 -0.365 -9.211 1.00 0.72 C ATOM 1589 CG GLN B 28 -22.237 -1.821 -9.635 1.00 1.34 C ATOM 1590 CD GLN B 28 -22.093 -1.987 -11.137 1.00 1.67 C ATOM 1591 OE1 GLN B 28 -22.604 -1.185 -11.919 1.00 2.14 O ATOM 1592 NE2 GLN B 28 -21.375 -3.019 -11.548 1.00 2.12 N ATOM 0 H GLN B 28 -21.205 -1.795 -7.390 1.00 0.53 H new ATOM 0 HA GLN B 28 -22.303 0.899 -7.497 1.00 0.62 H new ATOM 0 HB2 GLN B 28 -23.113 0.124 -9.741 1.00 0.72 H new ATOM 0 HB3 GLN B 28 -21.374 0.129 -9.521 1.00 0.72 H new ATOM 0 HG2 GLN B 28 -21.398 -2.307 -9.137 1.00 1.34 H new ATOM 0 HG3 GLN B 28 -23.142 -2.329 -9.302 1.00 1.34 H new ATOM 0 HE21 GLN B 28 -20.968 -3.661 -10.867 1.00 2.12 H new ATOM 0 HE22 GLN B 28 -21.228 -3.173 -12.546 1.00 2.12 H new ATOM 1601 N ASP B 29 -24.017 -1.451 -6.374 1.00 0.69 N ATOM 1602 CA ASP B 29 -25.275 -1.755 -5.708 1.00 0.84 C ATOM 1603 C ASP B 29 -25.543 -0.713 -4.626 1.00 0.69 C ATOM 1604 O ASP B 29 -26.684 -0.486 -4.216 1.00 0.84 O ATOM 1605 CB ASP B 29 -25.210 -3.156 -5.090 1.00 1.06 C ATOM 1606 CG ASP B 29 -26.443 -3.505 -4.282 1.00 1.87 C ATOM 1607 OD1 ASP B 29 -27.481 -3.833 -4.889 1.00 2.58 O ATOM 1608 OD2 ASP B 29 -26.371 -3.460 -3.033 1.00 2.56 O ATOM 0 H ASP B 29 -23.237 -2.039 -6.079 1.00 0.69 H new ATOM 0 HA ASP B 29 -26.087 -1.730 -6.435 1.00 0.84 H new ATOM 0 HB2 ASP B 29 -25.083 -3.892 -5.884 1.00 1.06 H new ATOM 0 HB3 ASP B 29 -24.331 -3.224 -4.449 1.00 1.06 H new ATOM 1613 N ALA B 30 -24.471 -0.065 -4.194 1.00 0.68 N ATOM 1614 CA ALA B 30 -24.537 0.950 -3.158 1.00 0.53 C ATOM 1615 C ALA B 30 -24.928 2.302 -3.761 1.00 0.54 C ATOM 1616 O ALA B 30 -24.677 2.535 -4.939 1.00 0.64 O ATOM 1617 CB ALA B 30 -23.186 1.036 -2.458 1.00 0.46 C ATOM 0 H ALA B 30 -23.531 -0.230 -4.554 1.00 0.68 H new ATOM 0 HA ALA B 30 -25.299 0.679 -2.428 1.00 0.53 H new ATOM 0 HB1 ALA B 30 -23.228 1.797 -1.678 1.00 0.46 H new ATOM 0 HB2 ALA B 30 -22.946 0.071 -2.011 1.00 0.46 H new ATOM 0 HB3 ALA B 30 -22.417 1.302 -3.183 1.00 0.46 H new ATOM 1623 N PRO B 31 -25.584 3.190 -2.977 1.00 0.53 N ATOM 1624 CA PRO B 31 -25.934 4.551 -3.409 1.00 0.63 C ATOM 1625 C PRO B 31 -24.796 5.296 -4.095 1.00 0.53 C ATOM 1626 O PRO B 31 -23.628 4.935 -3.946 1.00 0.45 O ATOM 1627 CB PRO B 31 -26.277 5.270 -2.112 1.00 0.71 C ATOM 1628 CG PRO B 31 -26.727 4.205 -1.176 1.00 0.62 C ATOM 1629 CD PRO B 31 -26.090 2.911 -1.624 1.00 0.51 C ATOM 0 HA PRO B 31 -26.737 4.513 -4.145 1.00 0.63 H new ATOM 0 HB2 PRO B 31 -25.411 5.800 -1.716 1.00 0.71 H new ATOM 0 HB3 PRO B 31 -27.060 6.011 -2.269 1.00 0.71 H new ATOM 0 HG2 PRO B 31 -26.434 4.443 -0.154 1.00 0.62 H new ATOM 0 HG3 PRO B 31 -27.814 4.121 -1.184 1.00 0.62 H new ATOM 0 HD2 PRO B 31 -25.284 2.614 -0.953 1.00 0.51 H new ATOM 0 HD3 PRO B 31 -26.814 2.096 -1.633 1.00 0.51 H new ATOM 1637 N ASN B 32 -25.130 6.349 -4.816 1.00 0.61 N ATOM 1638 CA ASN B 32 -24.145 7.073 -5.606 1.00 0.62 C ATOM 1639 C ASN B 32 -22.996 7.628 -4.760 1.00 0.59 C ATOM 1640 O ASN B 32 -21.843 7.319 -5.013 1.00 0.63 O ATOM 1641 CB ASN B 32 -24.804 8.193 -6.423 1.00 0.73 C ATOM 1642 CG ASN B 32 -25.794 9.046 -5.636 1.00 1.57 C ATOM 1643 OD1 ASN B 32 -25.703 9.182 -4.416 1.00 2.37 O ATOM 1644 ND2 ASN B 32 -26.743 9.641 -6.339 1.00 2.04 N ATOM 0 H ASN B 32 -26.077 6.725 -4.873 1.00 0.61 H new ATOM 0 HA ASN B 32 -23.711 6.347 -6.293 1.00 0.62 H new ATOM 0 HB2 ASN B 32 -24.024 8.840 -6.825 1.00 0.73 H new ATOM 0 HB3 ASN B 32 -25.321 7.750 -7.274 1.00 0.73 H new ATOM 0 HD21 ASN B 32 -27.428 10.234 -5.871 1.00 2.04 H new ATOM 0 HD22 ASN B 32 -26.790 9.507 -7.349 1.00 2.04 H new ATOM 1651 N ASN B 33 -23.293 8.413 -3.745 1.00 0.60 N ATOM 1652 CA ASN B 33 -22.237 9.072 -2.982 1.00 0.61 C ATOM 1653 C ASN B 33 -21.449 8.087 -2.123 1.00 0.53 C ATOM 1654 O ASN B 33 -20.265 8.301 -1.862 1.00 0.50 O ATOM 1655 CB ASN B 33 -22.813 10.219 -2.156 1.00 0.72 C ATOM 1656 CG ASN B 33 -21.847 10.761 -1.114 1.00 1.57 C ATOM 1657 OD1 ASN B 33 -21.827 10.304 0.032 1.00 2.34 O ATOM 1658 ND2 ASN B 33 -21.050 11.746 -1.501 1.00 2.16 N ATOM 0 H ASN B 33 -24.241 8.613 -3.427 1.00 0.60 H new ATOM 0 HA ASN B 33 -21.524 9.493 -3.691 1.00 0.61 H new ATOM 0 HB2 ASN B 33 -23.104 11.028 -2.826 1.00 0.72 H new ATOM 0 HB3 ASN B 33 -23.719 9.877 -1.657 1.00 0.72 H new ATOM 0 HD21 ASN B 33 -20.388 12.155 -0.842 1.00 2.16 H new ATOM 0 HD22 ASN B 33 -21.098 12.095 -2.458 1.00 2.16 H new ATOM 1665 N VAL B 34 -22.071 6.982 -1.723 1.00 0.50 N ATOM 1666 CA VAL B 34 -21.335 5.972 -0.975 1.00 0.50 C ATOM 1667 C VAL B 34 -20.442 5.198 -1.928 1.00 0.43 C ATOM 1668 O VAL B 34 -19.286 4.935 -1.622 1.00 0.44 O ATOM 1669 CB VAL B 34 -22.233 5.030 -0.147 1.00 0.61 C ATOM 1670 CG1 VAL B 34 -23.201 5.830 0.707 1.00 1.42 C ATOM 1671 CG2 VAL B 34 -22.975 4.049 -1.017 1.00 0.59 C ATOM 0 H VAL B 34 -23.053 6.768 -1.898 1.00 0.50 H new ATOM 0 HA VAL B 34 -20.725 6.493 -0.237 1.00 0.50 H new ATOM 0 HB VAL B 34 -21.582 4.452 0.509 1.00 0.61 H new ATOM 0 HG11 VAL B 34 -23.826 5.148 1.284 1.00 1.42 H new ATOM 0 HG12 VAL B 34 -22.641 6.472 1.387 1.00 1.42 H new ATOM 0 HG13 VAL B 34 -23.831 6.444 0.064 1.00 1.42 H new ATOM 0 HG21 VAL B 34 -23.595 3.406 -0.393 1.00 0.59 H new ATOM 0 HG22 VAL B 34 -23.608 4.592 -1.719 1.00 0.59 H new ATOM 0 HG23 VAL B 34 -22.260 3.439 -1.569 1.00 0.59 H new ATOM 1681 N ARG B 35 -20.964 4.885 -3.115 1.00 0.43 N ATOM 1682 CA ARG B 35 -20.166 4.242 -4.146 1.00 0.44 C ATOM 1683 C ARG B 35 -19.093 5.203 -4.621 1.00 0.39 C ATOM 1684 O ARG B 35 -18.058 4.785 -5.104 1.00 0.42 O ATOM 1685 CB ARG B 35 -21.008 3.737 -5.325 1.00 0.51 C ATOM 1686 CG ARG B 35 -21.508 4.808 -6.274 1.00 0.52 C ATOM 1687 CD ARG B 35 -22.284 4.212 -7.435 1.00 0.59 C ATOM 1688 NE ARG B 35 -23.608 3.754 -7.028 1.00 1.08 N ATOM 1689 CZ ARG B 35 -24.705 3.871 -7.774 1.00 1.34 C ATOM 1690 NH1 ARG B 35 -24.639 4.403 -8.985 1.00 1.49 N ATOM 1691 NH2 ARG B 35 -25.870 3.449 -7.308 1.00 2.15 N ATOM 0 H ARG B 35 -21.932 5.068 -3.380 1.00 0.43 H new ATOM 0 HA ARG B 35 -19.704 3.358 -3.705 1.00 0.44 H new ATOM 0 HB2 ARG B 35 -20.414 3.021 -5.893 1.00 0.51 H new ATOM 0 HB3 ARG B 35 -21.868 3.196 -4.930 1.00 0.51 H new ATOM 0 HG2 ARG B 35 -22.145 5.507 -5.731 1.00 0.52 H new ATOM 0 HG3 ARG B 35 -20.662 5.379 -6.657 1.00 0.52 H new ATOM 0 HD2 ARG B 35 -22.385 4.957 -8.225 1.00 0.59 H new ATOM 0 HD3 ARG B 35 -21.724 3.376 -7.855 1.00 0.59 H new ATOM 0 HE ARG B 35 -23.700 3.315 -6.112 1.00 1.08 H new ATOM 0 HH11 ARG B 35 -23.744 4.726 -9.352 1.00 1.49 H new ATOM 0 HH12 ARG B 35 -25.483 4.489 -9.551 1.00 1.49 H new ATOM 0 HH21 ARG B 35 -25.927 3.034 -6.378 1.00 2.15 H new ATOM 0 HH22 ARG B 35 -26.710 3.538 -7.879 1.00 2.15 H new ATOM 1705 N ARG B 36 -19.381 6.495 -4.540 1.00 0.38 N ATOM 1706 CA ARG B 36 -18.394 7.524 -4.829 1.00 0.36 C ATOM 1707 C ARG B 36 -17.313 7.570 -3.764 1.00 0.34 C ATOM 1708 O ARG B 36 -16.200 7.972 -4.044 1.00 0.33 O ATOM 1709 CB ARG B 36 -19.013 8.901 -4.978 1.00 0.41 C ATOM 1710 CG ARG B 36 -19.430 9.253 -6.399 1.00 0.57 C ATOM 1711 CD ARG B 36 -19.984 8.066 -7.159 1.00 0.75 C ATOM 1712 NE ARG B 36 -19.035 7.476 -8.102 1.00 1.40 N ATOM 1713 CZ ARG B 36 -19.399 6.922 -9.261 1.00 2.09 C ATOM 1714 NH1 ARG B 36 -20.652 7.030 -9.692 1.00 2.45 N ATOM 1715 NH2 ARG B 36 -18.501 6.301 -10.009 1.00 2.88 N ATOM 0 H ARG B 36 -20.297 6.856 -4.274 1.00 0.38 H new ATOM 0 HA ARG B 36 -17.948 7.249 -5.785 1.00 0.36 H new ATOM 0 HB2 ARG B 36 -19.887 8.965 -4.330 1.00 0.41 H new ATOM 0 HB3 ARG B 36 -18.300 9.647 -4.626 1.00 0.41 H new ATOM 0 HG2 ARG B 36 -20.182 10.041 -6.367 1.00 0.57 H new ATOM 0 HG3 ARG B 36 -18.570 9.654 -6.936 1.00 0.57 H new ATOM 0 HD2 ARG B 36 -20.296 7.303 -6.446 1.00 0.75 H new ATOM 0 HD3 ARG B 36 -20.876 8.378 -7.702 1.00 0.75 H new ATOM 0 HE ARG B 36 -18.044 7.488 -7.862 1.00 1.40 H new ATOM 0 HH11 ARG B 36 -21.340 7.538 -9.137 1.00 2.45 H new ATOM 0 HH12 ARG B 36 -20.925 6.605 -10.578 1.00 2.45 H new ATOM 0 HH21 ARG B 36 -17.530 6.245 -9.700 1.00 2.88 H new ATOM 0 HH22 ARG B 36 -18.779 5.878 -10.894 1.00 2.88 H new ATOM 1729 N ASP B 37 -17.654 7.234 -2.528 1.00 0.34 N ATOM 1730 CA ASP B 37 -16.634 7.139 -1.487 1.00 0.34 C ATOM 1731 C ASP B 37 -15.783 5.904 -1.761 1.00 0.28 C ATOM 1732 O ASP B 37 -14.583 5.873 -1.494 1.00 0.29 O ATOM 1733 CB ASP B 37 -17.256 7.086 -0.092 1.00 0.38 C ATOM 1734 CG ASP B 37 -16.229 7.320 1.002 1.00 0.75 C ATOM 1735 OD1 ASP B 37 -15.431 8.281 0.879 1.00 1.47 O ATOM 1736 OD2 ASP B 37 -16.225 6.562 1.989 1.00 1.39 O ATOM 0 H ASP B 37 -18.605 7.026 -2.223 1.00 0.34 H new ATOM 0 HA ASP B 37 -16.008 8.031 -1.510 1.00 0.34 H new ATOM 0 HB2 ASP B 37 -18.042 7.838 -0.017 1.00 0.38 H new ATOM 0 HB3 ASP B 37 -17.728 6.115 0.057 1.00 0.38 H new ATOM 1741 N LEU B 38 -16.426 4.891 -2.335 1.00 0.26 N ATOM 1742 CA LEU B 38 -15.720 3.764 -2.931 1.00 0.24 C ATOM 1743 C LEU B 38 -14.915 4.242 -4.141 1.00 0.23 C ATOM 1744 O LEU B 38 -13.851 3.711 -4.443 1.00 0.22 O ATOM 1745 CB LEU B 38 -16.701 2.675 -3.380 1.00 0.33 C ATOM 1746 CG LEU B 38 -17.162 1.671 -2.321 1.00 0.30 C ATOM 1747 CD1 LEU B 38 -15.986 1.121 -1.561 1.00 0.61 C ATOM 1748 CD2 LEU B 38 -18.146 2.288 -1.366 1.00 0.49 C ATOM 0 H LEU B 38 -17.442 4.829 -2.399 1.00 0.26 H new ATOM 0 HA LEU B 38 -15.052 3.345 -2.178 1.00 0.24 H new ATOM 0 HB2 LEU B 38 -17.585 3.164 -3.790 1.00 0.33 H new ATOM 0 HB3 LEU B 38 -16.238 2.118 -4.195 1.00 0.33 H new ATOM 0 HG LEU B 38 -17.661 0.855 -2.843 1.00 0.30 H new ATOM 0 HD11 LEU B 38 -16.337 0.409 -0.813 1.00 0.61 H new ATOM 0 HD12 LEU B 38 -15.309 0.618 -2.252 1.00 0.61 H new ATOM 0 HD13 LEU B 38 -15.459 1.937 -1.066 1.00 0.61 H new ATOM 0 HD21 LEU B 38 -18.451 1.546 -0.628 1.00 0.49 H new ATOM 0 HD22 LEU B 38 -17.680 3.133 -0.859 1.00 0.49 H new ATOM 0 HD23 LEU B 38 -19.021 2.633 -1.917 1.00 0.49 H new ATOM 1760 N ASP B 39 -15.461 5.229 -4.851 1.00 0.25 N ATOM 1761 CA ASP B 39 -14.768 5.852 -5.972 1.00 0.26 C ATOM 1762 C ASP B 39 -13.532 6.581 -5.460 1.00 0.24 C ATOM 1763 O ASP B 39 -12.479 6.573 -6.084 1.00 0.25 O ATOM 1764 CB ASP B 39 -15.670 6.819 -6.729 1.00 0.30 C ATOM 1765 CG ASP B 39 -15.305 6.919 -8.195 1.00 0.82 C ATOM 1766 OD1 ASP B 39 -14.227 7.453 -8.519 1.00 1.50 O ATOM 1767 OD2 ASP B 39 -16.097 6.448 -9.034 1.00 1.53 O ATOM 0 H ASP B 39 -16.387 5.614 -4.666 1.00 0.25 H new ATOM 0 HA ASP B 39 -14.475 5.067 -6.669 1.00 0.26 H new ATOM 0 HB2 ASP B 39 -16.706 6.494 -6.636 1.00 0.30 H new ATOM 0 HB3 ASP B 39 -15.604 7.807 -6.272 1.00 0.30 H new ATOM 1772 N ASN B 40 -13.686 7.190 -4.292 1.00 0.25 N ATOM 1773 CA ASN B 40 -12.598 7.849 -3.587 1.00 0.24 C ATOM 1774 C ASN B 40 -11.573 6.815 -3.176 1.00 0.24 C ATOM 1775 O ASN B 40 -10.374 7.050 -3.244 1.00 0.26 O ATOM 1776 CB ASN B 40 -13.144 8.563 -2.348 1.00 0.26 C ATOM 1777 CG ASN B 40 -12.166 9.551 -1.747 1.00 0.65 C ATOM 1778 OD1 ASN B 40 -11.297 10.086 -2.434 1.00 1.10 O ATOM 1779 ND2 ASN B 40 -12.318 9.813 -0.458 1.00 1.29 N ATOM 0 H ASN B 40 -14.580 7.240 -3.803 1.00 0.25 H new ATOM 0 HA ASN B 40 -12.129 8.584 -4.241 1.00 0.24 H new ATOM 0 HB2 ASN B 40 -14.062 9.087 -2.614 1.00 0.26 H new ATOM 0 HB3 ASN B 40 -13.408 7.820 -1.596 1.00 0.26 H new ATOM 0 HD21 ASN B 40 -11.701 10.482 0.003 1.00 1.29 H new ATOM 0 HD22 ASN B 40 -13.052 9.346 0.074 1.00 1.29 H new ATOM 1786 N LEU B 41 -12.063 5.661 -2.746 1.00 0.25 N ATOM 1787 CA LEU B 41 -11.204 4.529 -2.450 1.00 0.28 C ATOM 1788 C LEU B 41 -10.445 4.131 -3.709 1.00 0.30 C ATOM 1789 O LEU B 41 -9.260 3.817 -3.672 1.00 0.37 O ATOM 1790 CB LEU B 41 -12.040 3.349 -1.958 1.00 0.29 C ATOM 1791 CG LEU B 41 -11.261 2.306 -1.167 1.00 0.47 C ATOM 1792 CD1 LEU B 41 -10.792 2.909 0.142 1.00 0.36 C ATOM 1793 CD2 LEU B 41 -12.111 1.070 -0.923 1.00 1.04 C ATOM 0 H LEU B 41 -13.056 5.486 -2.595 1.00 0.25 H new ATOM 0 HA LEU B 41 -10.497 4.809 -1.669 1.00 0.28 H new ATOM 0 HB2 LEU B 41 -12.849 3.729 -1.334 1.00 0.29 H new ATOM 0 HB3 LEU B 41 -12.501 2.864 -2.818 1.00 0.29 H new ATOM 0 HG LEU B 41 -10.390 1.998 -1.745 1.00 0.47 H new ATOM 0 HD11 LEU B 41 -10.235 2.162 0.708 1.00 0.36 H new ATOM 0 HD12 LEU B 41 -10.148 3.765 -0.062 1.00 0.36 H new ATOM 0 HD13 LEU B 41 -11.655 3.234 0.723 1.00 0.36 H new ATOM 0 HD21 LEU B 41 -11.535 0.338 -0.357 1.00 1.04 H new ATOM 0 HD22 LEU B 41 -13.002 1.346 -0.359 1.00 1.04 H new ATOM 0 HD23 LEU B 41 -12.407 0.638 -1.879 1.00 1.04 H new ATOM 1805 N HIS B 42 -11.154 4.176 -4.825 1.00 0.27 N ATOM 1806 CA HIS B 42 -10.607 3.790 -6.114 1.00 0.32 C ATOM 1807 C HIS B 42 -9.582 4.774 -6.622 1.00 0.38 C ATOM 1808 O HIS B 42 -8.621 4.385 -7.267 1.00 0.58 O ATOM 1809 CB HIS B 42 -11.729 3.603 -7.129 1.00 0.32 C ATOM 1810 CG HIS B 42 -12.273 2.225 -7.069 1.00 0.33 C ATOM 1811 ND1 HIS B 42 -12.860 1.583 -8.129 1.00 0.40 N ATOM 1812 CD2 HIS B 42 -12.274 1.352 -6.045 1.00 0.33 C ATOM 1813 CE1 HIS B 42 -13.203 0.364 -7.759 1.00 0.44 C ATOM 1814 NE2 HIS B 42 -12.857 0.196 -6.493 1.00 0.39 N ATOM 0 H HIS B 42 -12.126 4.482 -4.862 1.00 0.27 H new ATOM 0 HA HIS B 42 -10.090 2.840 -5.977 1.00 0.32 H new ATOM 0 HB2 HIS B 42 -12.525 4.321 -6.933 1.00 0.32 H new ATOM 0 HB3 HIS B 42 -11.355 3.807 -8.132 1.00 0.32 H new ATOM 0 HD2 HIS B 42 -11.887 1.530 -5.053 1.00 0.33 H new ATOM 0 HE1 HIS B 42 -13.685 -0.373 -8.384 1.00 0.44 H new ATOM 0 HE2 HIS B 42 -13.000 -0.651 -5.943 1.00 0.39 H new ATOM 1823 N ALA B 43 -9.787 6.044 -6.354 1.00 0.33 N ATOM 1824 CA ALA B 43 -8.811 7.033 -6.746 1.00 0.37 C ATOM 1825 C ALA B 43 -7.644 7.052 -5.771 1.00 0.38 C ATOM 1826 O ALA B 43 -6.502 6.887 -6.172 1.00 0.39 O ATOM 1827 CB ALA B 43 -9.454 8.408 -6.829 1.00 0.42 C ATOM 0 H ALA B 43 -10.608 6.412 -5.873 1.00 0.33 H new ATOM 0 HA ALA B 43 -8.430 6.766 -7.732 1.00 0.37 H new ATOM 0 HB1 ALA B 43 -8.705 9.142 -7.126 1.00 0.42 H new ATOM 0 HB2 ALA B 43 -10.257 8.390 -7.566 1.00 0.42 H new ATOM 0 HB3 ALA B 43 -9.862 8.678 -5.855 1.00 0.42 H new ATOM 1833 N CYS B 44 -7.949 7.185 -4.486 1.00 0.38 N ATOM 1834 CA CYS B 44 -6.926 7.412 -3.473 1.00 0.40 C ATOM 1835 C CYS B 44 -6.105 6.169 -3.135 1.00 0.35 C ATOM 1836 O CYS B 44 -4.898 6.275 -2.959 1.00 0.35 O ATOM 1837 CB CYS B 44 -7.537 8.007 -2.213 1.00 0.46 C ATOM 1838 SG CYS B 44 -8.379 9.582 -2.490 1.00 1.64 S ATOM 0 H CYS B 44 -8.900 7.139 -4.120 1.00 0.38 H new ATOM 0 HA CYS B 44 -6.228 8.126 -3.910 1.00 0.40 H new ATOM 0 HB2 CYS B 44 -8.247 7.295 -1.792 1.00 0.46 H new ATOM 0 HB3 CYS B 44 -6.751 8.150 -1.471 1.00 0.46 H new ATOM 0 HG CYS B 44 -9.665 9.396 -2.471 1.00 1.64 H new ATOM 1844 N LEU B 45 -6.730 4.998 -3.026 1.00 0.32 N ATOM 1845 CA LEU B 45 -5.960 3.777 -2.762 1.00 0.29 C ATOM 1846 C LEU B 45 -5.104 3.442 -3.958 1.00 0.28 C ATOM 1847 O LEU B 45 -4.011 2.893 -3.836 1.00 0.32 O ATOM 1848 CB LEU B 45 -6.854 2.580 -2.434 1.00 0.27 C ATOM 1849 CG LEU B 45 -7.155 2.362 -0.950 1.00 0.80 C ATOM 1850 CD1 LEU B 45 -6.684 0.981 -0.535 1.00 0.66 C ATOM 1851 CD2 LEU B 45 -6.480 3.420 -0.088 1.00 1.77 C ATOM 0 H LEU B 45 -7.738 4.866 -3.113 1.00 0.32 H new ATOM 0 HA LEU B 45 -5.337 3.975 -1.890 1.00 0.29 H new ATOM 0 HB2 LEU B 45 -7.799 2.700 -2.963 1.00 0.27 H new ATOM 0 HB3 LEU B 45 -6.382 1.679 -2.826 1.00 0.27 H new ATOM 0 HG LEU B 45 -8.232 2.445 -0.802 1.00 0.80 H new ATOM 0 HD11 LEU B 45 -6.899 0.826 0.522 1.00 0.66 H new ATOM 0 HD12 LEU B 45 -7.204 0.227 -1.125 1.00 0.66 H new ATOM 0 HD13 LEU B 45 -5.610 0.897 -0.704 1.00 0.66 H new ATOM 0 HD21 LEU B 45 -6.713 3.238 0.961 1.00 1.77 H new ATOM 0 HD22 LEU B 45 -5.401 3.373 -0.233 1.00 1.77 H new ATOM 0 HD23 LEU B 45 -6.842 4.408 -0.374 1.00 1.77 H new ATOM 1863 N ASN B 46 -5.613 3.785 -5.117 1.00 0.28 N ATOM 1864 CA ASN B 46 -4.890 3.601 -6.350 1.00 0.33 C ATOM 1865 C ASN B 46 -3.812 4.696 -6.488 1.00 0.36 C ATOM 1866 O ASN B 46 -2.817 4.526 -7.197 1.00 0.47 O ATOM 1867 CB ASN B 46 -5.903 3.553 -7.507 1.00 0.35 C ATOM 1868 CG ASN B 46 -5.284 3.657 -8.888 1.00 0.45 C ATOM 1869 OD1 ASN B 46 -4.200 3.134 -9.140 1.00 1.14 O ATOM 1870 ND2 ASN B 46 -5.977 4.326 -9.796 1.00 0.98 N ATOM 0 H ASN B 46 -6.538 4.199 -5.231 1.00 0.28 H new ATOM 0 HA ASN B 46 -4.349 2.655 -6.367 1.00 0.33 H new ATOM 0 HB2 ASN B 46 -6.465 2.621 -7.443 1.00 0.35 H new ATOM 0 HB3 ASN B 46 -6.619 4.366 -7.381 1.00 0.35 H new ATOM 0 HD21 ASN B 46 -5.615 4.422 -10.745 1.00 0.98 H new ATOM 0 HD22 ASN B 46 -6.873 4.745 -9.547 1.00 0.98 H new ATOM 1877 N LYS B 47 -3.964 5.787 -5.725 1.00 0.35 N ATOM 1878 CA LYS B 47 -2.902 6.789 -5.609 1.00 0.37 C ATOM 1879 C LYS B 47 -1.854 6.273 -4.640 1.00 0.36 C ATOM 1880 O LYS B 47 -0.661 6.474 -4.832 1.00 0.35 O ATOM 1881 CB LYS B 47 -3.419 8.136 -5.083 1.00 0.44 C ATOM 1882 CG LYS B 47 -4.428 8.827 -5.979 1.00 0.92 C ATOM 1883 CD LYS B 47 -4.829 10.190 -5.436 1.00 0.81 C ATOM 1884 CE LYS B 47 -3.663 11.166 -5.462 1.00 1.08 C ATOM 1885 NZ LYS B 47 -4.031 12.492 -4.902 1.00 1.51 N ATOM 0 H LYS B 47 -4.804 5.995 -5.185 1.00 0.35 H new ATOM 0 HA LYS B 47 -2.492 6.951 -6.606 1.00 0.37 H new ATOM 0 HB2 LYS B 47 -3.873 7.977 -4.105 1.00 0.44 H new ATOM 0 HB3 LYS B 47 -2.569 8.802 -4.936 1.00 0.44 H new ATOM 0 HG2 LYS B 47 -4.007 8.944 -6.978 1.00 0.92 H new ATOM 0 HG3 LYS B 47 -5.314 8.201 -6.078 1.00 0.92 H new ATOM 0 HD2 LYS B 47 -5.653 10.590 -6.027 1.00 0.81 H new ATOM 0 HD3 LYS B 47 -5.192 10.083 -4.414 1.00 0.81 H new ATOM 0 HE2 LYS B 47 -2.831 10.751 -4.893 1.00 1.08 H new ATOM 0 HE3 LYS B 47 -3.317 11.290 -6.488 1.00 1.08 H new ATOM 0 HZ1 LYS B 47 -3.207 13.125 -4.939 1.00 1.51 H new ATOM 0 HZ2 LYS B 47 -4.808 12.901 -5.460 1.00 1.51 H new ATOM 0 HZ3 LYS B 47 -4.336 12.379 -3.914 1.00 1.51 H new ATOM 1899 N ALA B 48 -2.329 5.616 -3.585 1.00 0.40 N ATOM 1900 CA ALA B 48 -1.462 5.004 -2.590 1.00 0.41 C ATOM 1901 C ALA B 48 -0.518 4.020 -3.255 1.00 0.38 C ATOM 1902 O ALA B 48 0.659 3.946 -2.912 1.00 0.37 O ATOM 1903 CB ALA B 48 -2.290 4.310 -1.514 1.00 0.49 C ATOM 0 H ALA B 48 -3.324 5.495 -3.399 1.00 0.40 H new ATOM 0 HA ALA B 48 -0.871 5.786 -2.113 1.00 0.41 H new ATOM 0 HB1 ALA B 48 -1.625 3.858 -0.778 1.00 0.49 H new ATOM 0 HB2 ALA B 48 -2.933 5.040 -1.022 1.00 0.49 H new ATOM 0 HB3 ALA B 48 -2.905 3.535 -1.972 1.00 0.49 H new ATOM 1909 N LYS B 49 -1.025 3.307 -4.250 1.00 0.39 N ATOM 1910 CA LYS B 49 -0.212 2.364 -4.993 1.00 0.40 C ATOM 1911 C LYS B 49 0.827 3.121 -5.803 1.00 0.44 C ATOM 1912 O LYS B 49 2.002 2.752 -5.835 1.00 0.53 O ATOM 1913 CB LYS B 49 -1.081 1.515 -5.925 1.00 0.38 C ATOM 1914 CG LYS B 49 -2.154 0.711 -5.206 1.00 0.32 C ATOM 1915 CD LYS B 49 -2.802 -0.293 -6.136 1.00 0.31 C ATOM 1916 CE LYS B 49 -3.710 0.390 -7.146 1.00 0.35 C ATOM 1917 NZ LYS B 49 -4.050 -0.498 -8.286 1.00 0.93 N ATOM 0 H LYS B 49 -1.995 3.366 -4.559 1.00 0.39 H new ATOM 0 HA LYS B 49 0.286 1.698 -4.288 1.00 0.40 H new ATOM 0 HB2 LYS B 49 -1.559 2.168 -6.655 1.00 0.38 H new ATOM 0 HB3 LYS B 49 -0.440 0.831 -6.481 1.00 0.38 H new ATOM 0 HG2 LYS B 49 -1.714 0.191 -4.355 1.00 0.32 H new ATOM 0 HG3 LYS B 49 -2.913 1.385 -4.809 1.00 0.32 H new ATOM 0 HD2 LYS B 49 -2.030 -0.856 -6.661 1.00 0.31 H new ATOM 0 HD3 LYS B 49 -3.379 -1.011 -5.553 1.00 0.31 H new ATOM 0 HE2 LYS B 49 -4.627 0.709 -6.650 1.00 0.35 H new ATOM 0 HE3 LYS B 49 -3.221 1.289 -7.521 1.00 0.35 H new ATOM 0 HZ1 LYS B 49 -4.670 0.010 -8.949 1.00 0.93 H new ATOM 0 HZ2 LYS B 49 -3.178 -0.782 -8.777 1.00 0.93 H new ATOM 0 HZ3 LYS B 49 -4.540 -1.344 -7.933 1.00 0.93 H new ATOM 1931 N LEU B 50 0.382 4.200 -6.436 1.00 0.40 N ATOM 1932 CA LEU B 50 1.255 5.041 -7.240 1.00 0.45 C ATOM 1933 C LEU B 50 2.371 5.665 -6.405 1.00 0.39 C ATOM 1934 O LEU B 50 3.525 5.668 -6.822 1.00 0.41 O ATOM 1935 CB LEU B 50 0.440 6.133 -7.938 1.00 0.54 C ATOM 1936 CG LEU B 50 0.317 5.977 -9.446 1.00 1.03 C ATOM 1937 CD1 LEU B 50 1.669 6.176 -10.081 1.00 2.10 C ATOM 1938 CD2 LEU B 50 -0.243 4.608 -9.802 1.00 0.71 C ATOM 0 H LEU B 50 -0.588 4.514 -6.406 1.00 0.40 H new ATOM 0 HA LEU B 50 1.724 4.406 -7.992 1.00 0.45 H new ATOM 0 HB2 LEU B 50 -0.561 6.150 -7.507 1.00 0.54 H new ATOM 0 HB3 LEU B 50 0.896 7.099 -7.724 1.00 0.54 H new ATOM 0 HG LEU B 50 -0.373 6.730 -9.826 1.00 1.03 H new ATOM 0 HD11 LEU B 50 1.583 6.065 -11.162 1.00 2.10 H new ATOM 0 HD12 LEU B 50 2.037 7.175 -9.847 1.00 2.10 H new ATOM 0 HD13 LEU B 50 2.366 5.433 -9.694 1.00 2.10 H new ATOM 0 HD21 LEU B 50 -0.323 4.518 -10.885 1.00 0.71 H new ATOM 0 HD22 LEU B 50 0.422 3.833 -9.421 1.00 0.71 H new ATOM 0 HD23 LEU B 50 -1.230 4.491 -9.355 1.00 0.71 H new ATOM 1950 N THR B 51 2.034 6.181 -5.227 1.00 0.36 N ATOM 1951 CA THR B 51 3.025 6.818 -4.363 1.00 0.36 C ATOM 1952 C THR B 51 4.099 5.829 -3.932 1.00 0.33 C ATOM 1953 O THR B 51 5.276 6.174 -3.842 1.00 0.35 O ATOM 1954 CB THR B 51 2.383 7.451 -3.110 1.00 0.39 C ATOM 1955 OG1 THR B 51 1.644 6.476 -2.359 1.00 0.46 O ATOM 1956 CG2 THR B 51 1.462 8.585 -3.500 1.00 0.42 C ATOM 0 H THR B 51 1.087 6.171 -4.849 1.00 0.36 H new ATOM 0 HA THR B 51 3.482 7.612 -4.954 1.00 0.36 H new ATOM 0 HB THR B 51 3.190 7.838 -2.487 1.00 0.39 H new ATOM 0 HG1 THR B 51 1.549 5.658 -2.890 1.00 0.46 H new ATOM 0 HG21 THR B 51 1.019 9.019 -2.603 1.00 0.42 H new ATOM 0 HG22 THR B 51 2.030 9.349 -4.030 1.00 0.42 H new ATOM 0 HG23 THR B 51 0.672 8.206 -4.148 1.00 0.42 H new ATOM 1964 N VAL B 52 3.684 4.594 -3.680 1.00 0.30 N ATOM 1965 CA VAL B 52 4.604 3.542 -3.288 1.00 0.28 C ATOM 1966 C VAL B 52 5.434 3.091 -4.480 1.00 0.28 C ATOM 1967 O VAL B 52 6.644 2.888 -4.370 1.00 0.29 O ATOM 1968 CB VAL B 52 3.842 2.346 -2.675 1.00 0.29 C ATOM 1969 CG1 VAL B 52 4.787 1.222 -2.310 1.00 0.31 C ATOM 1970 CG2 VAL B 52 3.055 2.786 -1.451 1.00 0.33 C ATOM 0 H VAL B 52 2.710 4.298 -3.742 1.00 0.30 H new ATOM 0 HA VAL B 52 5.276 3.942 -2.529 1.00 0.28 H new ATOM 0 HB VAL B 52 3.147 1.974 -3.428 1.00 0.29 H new ATOM 0 HG11 VAL B 52 4.221 0.395 -1.881 1.00 0.31 H new ATOM 0 HG12 VAL B 52 5.308 0.880 -3.204 1.00 0.31 H new ATOM 0 HG13 VAL B 52 5.514 1.580 -1.581 1.00 0.31 H new ATOM 0 HG21 VAL B 52 2.525 1.931 -1.033 1.00 0.33 H new ATOM 0 HG22 VAL B 52 3.739 3.190 -0.704 1.00 0.33 H new ATOM 0 HG23 VAL B 52 2.336 3.554 -1.737 1.00 0.33 H new ATOM 1980 N GLY B 53 4.773 2.967 -5.620 1.00 0.35 N ATOM 1981 CA GLY B 53 5.460 2.621 -6.840 1.00 0.43 C ATOM 1982 C GLY B 53 6.508 3.654 -7.159 1.00 0.39 C ATOM 1983 O GLY B 53 7.628 3.336 -7.555 1.00 0.39 O ATOM 0 H GLY B 53 3.767 3.101 -5.719 1.00 0.35 H new ATOM 0 HA2 GLY B 53 5.925 1.640 -6.738 1.00 0.43 H new ATOM 0 HA3 GLY B 53 4.746 2.552 -7.661 1.00 0.43 H new ATOM 1987 N ARG B 54 6.135 4.902 -6.951 1.00 0.39 N ATOM 1988 CA ARG B 54 7.017 6.015 -7.202 1.00 0.38 C ATOM 1989 C ARG B 54 8.053 6.221 -6.108 1.00 0.30 C ATOM 1990 O ARG B 54 9.043 6.923 -6.313 1.00 0.29 O ATOM 1991 CB ARG B 54 6.215 7.272 -7.448 1.00 0.50 C ATOM 1992 CG ARG B 54 5.525 7.245 -8.795 1.00 1.18 C ATOM 1993 CD ARG B 54 4.877 8.568 -9.110 1.00 1.37 C ATOM 1994 NE ARG B 54 5.847 9.577 -9.531 1.00 1.71 N ATOM 1995 CZ ARG B 54 5.719 10.881 -9.288 1.00 2.21 C ATOM 1996 NH1 ARG B 54 4.691 11.333 -8.578 1.00 2.36 N ATOM 1997 NH2 ARG B 54 6.625 11.730 -9.754 1.00 2.84 N ATOM 0 H ARG B 54 5.213 5.168 -6.604 1.00 0.39 H new ATOM 0 HA ARG B 54 7.584 5.774 -8.101 1.00 0.38 H new ATOM 0 HB2 ARG B 54 5.470 7.388 -6.661 1.00 0.50 H new ATOM 0 HB3 ARG B 54 6.873 8.139 -7.394 1.00 0.50 H new ATOM 0 HG2 ARG B 54 6.250 7.000 -9.571 1.00 1.18 H new ATOM 0 HG3 ARG B 54 4.771 6.458 -8.803 1.00 1.18 H new ATOM 0 HD2 ARG B 54 4.137 8.429 -9.898 1.00 1.37 H new ATOM 0 HD3 ARG B 54 4.343 8.926 -8.230 1.00 1.37 H new ATOM 0 HE ARG B 54 6.672 9.264 -10.042 1.00 1.71 H new ATOM 0 HH11 ARG B 54 3.995 10.681 -8.216 1.00 2.36 H new ATOM 0 HH12 ARG B 54 4.598 12.332 -8.395 1.00 2.36 H new ATOM 0 HH21 ARG B 54 7.417 11.384 -10.296 1.00 2.84 H new ATOM 0 HH22 ARG B 54 6.530 12.729 -9.570 1.00 2.84 H new ATOM 2011 N MET B 55 7.834 5.628 -4.948 1.00 0.30 N ATOM 2012 CA MET B 55 8.842 5.661 -3.901 1.00 0.29 C ATOM 2013 C MET B 55 9.963 4.702 -4.270 1.00 0.25 C ATOM 2014 O MET B 55 11.123 4.905 -3.922 1.00 0.26 O ATOM 2015 CB MET B 55 8.240 5.294 -2.548 1.00 0.31 C ATOM 2016 CG MET B 55 9.184 5.522 -1.386 1.00 0.33 C ATOM 2017 SD MET B 55 9.766 7.223 -1.300 1.00 0.76 S ATOM 2018 CE MET B 55 10.942 7.090 0.039 1.00 0.39 C ATOM 0 H MET B 55 6.980 5.124 -4.708 1.00 0.30 H new ATOM 0 HA MET B 55 9.239 6.672 -3.815 1.00 0.29 H new ATOM 0 HB2 MET B 55 7.335 5.880 -2.391 1.00 0.31 H new ATOM 0 HB3 MET B 55 7.942 4.246 -2.564 1.00 0.31 H new ATOM 0 HG2 MET B 55 8.678 5.266 -0.455 1.00 0.33 H new ATOM 0 HG3 MET B 55 10.039 4.852 -1.479 1.00 0.33 H new ATOM 0 HE1 MET B 55 11.792 7.743 -0.157 1.00 0.39 H new ATOM 0 HE2 MET B 55 10.465 7.386 0.973 1.00 0.39 H new ATOM 0 HE3 MET B 55 11.287 6.059 0.119 1.00 0.39 H new ATOM 2028 N VAL B 56 9.603 3.660 -5.007 1.00 0.25 N ATOM 2029 CA VAL B 56 10.588 2.763 -5.583 1.00 0.25 C ATOM 2030 C VAL B 56 11.398 3.518 -6.625 1.00 0.23 C ATOM 2031 O VAL B 56 12.618 3.400 -6.691 1.00 0.23 O ATOM 2032 CB VAL B 56 9.925 1.544 -6.244 1.00 0.31 C ATOM 2033 CG1 VAL B 56 10.972 0.560 -6.736 1.00 0.35 C ATOM 2034 CG2 VAL B 56 8.963 0.870 -5.282 1.00 0.34 C ATOM 0 H VAL B 56 8.635 3.417 -5.219 1.00 0.25 H new ATOM 0 HA VAL B 56 11.233 2.404 -4.781 1.00 0.25 H new ATOM 0 HB VAL B 56 9.357 1.892 -7.107 1.00 0.31 H new ATOM 0 HG11 VAL B 56 10.479 -0.294 -7.200 1.00 0.35 H new ATOM 0 HG12 VAL B 56 11.615 1.049 -7.467 1.00 0.35 H new ATOM 0 HG13 VAL B 56 11.574 0.218 -5.894 1.00 0.35 H new ATOM 0 HG21 VAL B 56 8.504 0.010 -5.769 1.00 0.34 H new ATOM 0 HG22 VAL B 56 9.506 0.539 -4.397 1.00 0.34 H new ATOM 0 HG23 VAL B 56 8.187 1.577 -4.988 1.00 0.34 H new ATOM 2044 N THR B 57 10.696 4.321 -7.416 1.00 0.24 N ATOM 2045 CA THR B 57 11.327 5.198 -8.387 1.00 0.27 C ATOM 2046 C THR B 57 12.253 6.186 -7.678 1.00 0.26 C ATOM 2047 O THR B 57 13.313 6.548 -8.190 1.00 0.30 O ATOM 2048 CB THR B 57 10.265 5.963 -9.190 1.00 0.34 C ATOM 2049 OG1 THR B 57 9.305 5.036 -9.707 1.00 0.37 O ATOM 2050 CG2 THR B 57 10.893 6.740 -10.337 1.00 0.43 C ATOM 0 H THR B 57 9.678 4.380 -7.400 1.00 0.24 H new ATOM 0 HA THR B 57 11.914 4.588 -9.074 1.00 0.27 H new ATOM 0 HB THR B 57 9.778 6.676 -8.525 1.00 0.34 H new ATOM 0 HG1 THR B 57 8.624 5.521 -10.219 1.00 0.37 H new ATOM 0 HG21 THR B 57 10.115 7.271 -10.886 1.00 0.43 H new ATOM 0 HG22 THR B 57 11.611 7.458 -9.940 1.00 0.43 H new ATOM 0 HG23 THR B 57 11.404 6.049 -11.008 1.00 0.43 H new ATOM 2058 N SER B 58 11.834 6.593 -6.482 1.00 0.31 N ATOM 2059 CA SER B 58 12.603 7.497 -5.641 1.00 0.37 C ATOM 2060 C SER B 58 13.937 6.873 -5.231 1.00 0.30 C ATOM 2061 O SER B 58 14.969 7.532 -5.256 1.00 0.38 O ATOM 2062 CB SER B 58 11.774 7.852 -4.404 1.00 0.49 C ATOM 2063 OG SER B 58 10.593 8.549 -4.769 1.00 1.23 O ATOM 0 H SER B 58 10.947 6.302 -6.070 1.00 0.31 H new ATOM 0 HA SER B 58 12.827 8.402 -6.206 1.00 0.37 H new ATOM 0 HB2 SER B 58 11.512 6.942 -3.864 1.00 0.49 H new ATOM 0 HB3 SER B 58 12.368 8.465 -3.727 1.00 0.49 H new ATOM 0 HG SER B 58 10.085 8.015 -5.415 1.00 1.23 H new ATOM 2069 N LEU B 59 13.907 5.605 -4.851 1.00 0.24 N ATOM 2070 CA LEU B 59 15.126 4.878 -4.506 1.00 0.25 C ATOM 2071 C LEU B 59 15.942 4.563 -5.756 1.00 0.21 C ATOM 2072 O LEU B 59 17.168 4.483 -5.717 1.00 0.27 O ATOM 2073 CB LEU B 59 14.783 3.577 -3.777 1.00 0.37 C ATOM 2074 CG LEU B 59 14.631 3.678 -2.256 1.00 0.37 C ATOM 2075 CD1 LEU B 59 13.589 4.718 -1.872 1.00 1.38 C ATOM 2076 CD2 LEU B 59 14.263 2.319 -1.687 1.00 1.37 C ATOM 0 H LEU B 59 13.052 5.054 -4.773 1.00 0.24 H new ATOM 0 HA LEU B 59 15.721 5.512 -3.849 1.00 0.25 H new ATOM 0 HB2 LEU B 59 13.853 3.187 -4.190 1.00 0.37 H new ATOM 0 HB3 LEU B 59 15.560 2.845 -3.996 1.00 0.37 H new ATOM 0 HG LEU B 59 15.584 3.997 -1.835 1.00 0.37 H new ATOM 0 HD11 LEU B 59 13.505 4.765 -0.786 1.00 1.38 H new ATOM 0 HD12 LEU B 59 13.890 5.693 -2.256 1.00 1.38 H new ATOM 0 HD13 LEU B 59 12.625 4.442 -2.299 1.00 1.38 H new ATOM 0 HD21 LEU B 59 14.156 2.395 -0.605 1.00 1.37 H new ATOM 0 HD22 LEU B 59 13.321 1.985 -2.123 1.00 1.37 H new ATOM 0 HD23 LEU B 59 15.048 1.601 -1.925 1.00 1.37 H new ATOM 2088 N LEU B 60 15.247 4.384 -6.864 1.00 0.19 N ATOM 2089 CA LEU B 60 15.875 3.975 -8.108 1.00 0.24 C ATOM 2090 C LEU B 60 16.552 5.141 -8.830 1.00 0.27 C ATOM 2091 O LEU B 60 17.186 4.945 -9.865 1.00 0.32 O ATOM 2092 CB LEU B 60 14.834 3.322 -9.023 1.00 0.26 C ATOM 2093 CG LEU B 60 14.955 1.803 -9.182 1.00 0.46 C ATOM 2094 CD1 LEU B 60 16.257 1.436 -9.876 1.00 1.29 C ATOM 2095 CD2 LEU B 60 14.858 1.110 -7.830 1.00 0.57 C ATOM 0 H LEU B 60 14.238 4.517 -6.928 1.00 0.19 H new ATOM 0 HA LEU B 60 16.655 3.255 -7.860 1.00 0.24 H new ATOM 0 HB2 LEU B 60 13.841 3.551 -8.636 1.00 0.26 H new ATOM 0 HB3 LEU B 60 14.905 3.780 -10.010 1.00 0.26 H new ATOM 0 HG LEU B 60 14.127 1.461 -9.803 1.00 0.46 H new ATOM 0 HD11 LEU B 60 16.322 0.353 -9.978 1.00 1.29 H new ATOM 0 HD12 LEU B 60 16.285 1.896 -10.864 1.00 1.29 H new ATOM 0 HD13 LEU B 60 17.099 1.796 -9.284 1.00 1.29 H new ATOM 0 HD21 LEU B 60 14.946 0.032 -7.966 1.00 0.57 H new ATOM 0 HD22 LEU B 60 15.662 1.461 -7.183 1.00 0.57 H new ATOM 0 HD23 LEU B 60 13.896 1.340 -7.371 1.00 0.57 H new ATOM 2107 N GLU B 61 16.439 6.349 -8.293 1.00 0.27 N ATOM 2108 CA GLU B 61 17.051 7.504 -8.938 1.00 0.33 C ATOM 2109 C GLU B 61 18.323 7.918 -8.214 1.00 0.36 C ATOM 2110 O GLU B 61 18.733 9.081 -8.241 1.00 0.43 O ATOM 2111 CB GLU B 61 16.056 8.669 -9.085 1.00 0.37 C ATOM 2112 CG GLU B 61 15.306 9.060 -7.819 1.00 1.02 C ATOM 2113 CD GLU B 61 15.920 10.244 -7.104 1.00 2.03 C ATOM 2114 OE1 GLU B 61 16.075 11.310 -7.736 1.00 2.59 O ATOM 2115 OE2 GLU B 61 16.231 10.126 -5.906 1.00 2.79 O ATOM 0 H GLU B 61 15.939 6.553 -7.428 1.00 0.27 H new ATOM 0 HA GLU B 61 17.334 7.213 -9.950 1.00 0.33 H new ATOM 0 HB2 GLU B 61 16.598 9.542 -9.448 1.00 0.37 H new ATOM 0 HB3 GLU B 61 15.326 8.405 -9.851 1.00 0.37 H new ATOM 0 HG2 GLU B 61 14.272 9.294 -8.074 1.00 1.02 H new ATOM 0 HG3 GLU B 61 15.281 8.207 -7.141 1.00 1.02 H new ATOM 2122 N LYS B 62 18.948 6.936 -7.583 1.00 0.36 N ATOM 2123 CA LYS B 62 20.253 7.105 -6.968 1.00 0.40 C ATOM 2124 C LYS B 62 21.011 5.777 -7.020 1.00 0.35 C ATOM 2125 O LYS B 62 20.536 4.750 -6.536 1.00 0.30 O ATOM 2126 CB LYS B 62 20.129 7.613 -5.531 1.00 0.48 C ATOM 2127 CG LYS B 62 19.274 6.738 -4.644 1.00 0.51 C ATOM 2128 CD LYS B 62 17.885 7.297 -4.458 1.00 0.76 C ATOM 2129 CE LYS B 62 17.899 8.664 -3.801 1.00 0.83 C ATOM 2130 NZ LYS B 62 16.531 9.098 -3.434 1.00 0.91 N ATOM 0 H LYS B 62 18.562 5.997 -7.483 1.00 0.36 H new ATOM 0 HA LYS B 62 20.812 7.858 -7.525 1.00 0.40 H new ATOM 0 HB2 LYS B 62 21.126 7.691 -5.096 1.00 0.48 H new ATOM 0 HB3 LYS B 62 19.709 8.619 -5.546 1.00 0.48 H new ATOM 0 HG2 LYS B 62 19.207 5.740 -5.077 1.00 0.51 H new ATOM 0 HG3 LYS B 62 19.754 6.631 -3.671 1.00 0.51 H new ATOM 0 HD2 LYS B 62 17.391 7.367 -5.427 1.00 0.76 H new ATOM 0 HD3 LYS B 62 17.297 6.610 -3.849 1.00 0.76 H new ATOM 0 HE2 LYS B 62 18.525 8.635 -2.909 1.00 0.83 H new ATOM 0 HE3 LYS B 62 18.344 9.392 -4.480 1.00 0.83 H new ATOM 0 HZ1 LYS B 62 16.587 9.887 -2.759 1.00 0.91 H new ATOM 0 HZ2 LYS B 62 16.024 9.408 -4.288 1.00 0.91 H new ATOM 0 HZ3 LYS B 62 16.020 8.304 -2.998 1.00 0.91 H new ATOM 2144 N PRO B 63 22.206 5.794 -7.620 1.00 0.46 N ATOM 2145 CA PRO B 63 22.948 4.574 -7.965 1.00 0.48 C ATOM 2146 C PRO B 63 23.428 3.780 -6.752 1.00 0.41 C ATOM 2147 O PRO B 63 23.454 2.549 -6.785 1.00 0.40 O ATOM 2148 CB PRO B 63 24.140 5.093 -8.776 1.00 0.59 C ATOM 2149 CG PRO B 63 24.297 6.521 -8.379 1.00 0.94 C ATOM 2150 CD PRO B 63 22.928 7.015 -8.004 1.00 0.65 C ATOM 0 HA PRO B 63 22.313 3.872 -8.506 1.00 0.48 H new ATOM 0 HB2 PRO B 63 25.043 4.523 -8.557 1.00 0.59 H new ATOM 0 HB3 PRO B 63 23.957 5.001 -9.847 1.00 0.59 H new ATOM 0 HG2 PRO B 63 24.987 6.616 -7.540 1.00 0.94 H new ATOM 0 HG3 PRO B 63 24.710 7.108 -9.199 1.00 0.94 H new ATOM 0 HD2 PRO B 63 22.972 7.729 -7.181 1.00 0.65 H new ATOM 0 HD3 PRO B 63 22.443 7.520 -8.839 1.00 0.65 H new ATOM 2158 N SER B 64 23.790 4.477 -5.680 1.00 0.40 N ATOM 2159 CA SER B 64 24.322 3.816 -4.499 1.00 0.37 C ATOM 2160 C SER B 64 23.222 3.017 -3.805 1.00 0.34 C ATOM 2161 O SER B 64 23.415 1.853 -3.454 1.00 0.38 O ATOM 2162 CB SER B 64 24.938 4.842 -3.541 1.00 0.39 C ATOM 2163 OG SER B 64 25.666 4.211 -2.501 1.00 1.25 O ATOM 0 H SER B 64 23.725 5.492 -5.607 1.00 0.40 H new ATOM 0 HA SER B 64 25.108 3.126 -4.806 1.00 0.37 H new ATOM 0 HB2 SER B 64 25.598 5.509 -4.096 1.00 0.39 H new ATOM 0 HB3 SER B 64 24.149 5.459 -3.111 1.00 0.39 H new ATOM 0 HG SER B 64 26.295 4.851 -2.107 1.00 1.25 H new ATOM 2169 N VAL B 65 22.057 3.640 -3.645 1.00 0.30 N ATOM 2170 CA VAL B 65 20.910 2.983 -3.031 1.00 0.30 C ATOM 2171 C VAL B 65 20.538 1.716 -3.793 1.00 0.29 C ATOM 2172 O VAL B 65 20.308 0.667 -3.185 1.00 0.30 O ATOM 2173 CB VAL B 65 19.693 3.935 -2.976 1.00 0.31 C ATOM 2174 CG1 VAL B 65 18.404 3.181 -2.704 1.00 0.38 C ATOM 2175 CG2 VAL B 65 19.896 5.007 -1.921 1.00 0.33 C ATOM 0 H VAL B 65 21.884 4.603 -3.934 1.00 0.30 H new ATOM 0 HA VAL B 65 21.191 2.712 -2.013 1.00 0.30 H new ATOM 0 HB VAL B 65 19.609 4.409 -3.954 1.00 0.31 H new ATOM 0 HG11 VAL B 65 17.571 3.884 -2.673 1.00 0.38 H new ATOM 0 HG12 VAL B 65 18.234 2.452 -3.497 1.00 0.38 H new ATOM 0 HG13 VAL B 65 18.479 2.665 -1.747 1.00 0.38 H new ATOM 0 HG21 VAL B 65 19.028 5.666 -1.900 1.00 0.33 H new ATOM 0 HG22 VAL B 65 20.020 4.538 -0.945 1.00 0.33 H new ATOM 0 HG23 VAL B 65 20.787 5.588 -2.160 1.00 0.33 H new ATOM 2185 N VAL B 66 20.525 1.806 -5.120 1.00 0.29 N ATOM 2186 CA VAL B 66 20.168 0.669 -5.960 1.00 0.30 C ATOM 2187 C VAL B 66 21.076 -0.527 -5.680 1.00 0.30 C ATOM 2188 O VAL B 66 20.589 -1.612 -5.365 1.00 0.30 O ATOM 2189 CB VAL B 66 20.240 1.028 -7.461 1.00 0.32 C ATOM 2190 CG1 VAL B 66 19.900 -0.178 -8.326 1.00 0.35 C ATOM 2191 CG2 VAL B 66 19.307 2.184 -7.780 1.00 0.34 C ATOM 0 H VAL B 66 20.758 2.655 -5.636 1.00 0.29 H new ATOM 0 HA VAL B 66 19.140 0.403 -5.714 1.00 0.30 H new ATOM 0 HB VAL B 66 21.262 1.333 -7.685 1.00 0.32 H new ATOM 0 HG11 VAL B 66 19.958 0.101 -9.378 1.00 0.35 H new ATOM 0 HG12 VAL B 66 20.608 -0.982 -8.124 1.00 0.35 H new ATOM 0 HG13 VAL B 66 18.890 -0.518 -8.096 1.00 0.35 H new ATOM 0 HG21 VAL B 66 19.372 2.422 -8.842 1.00 0.34 H new ATOM 0 HG22 VAL B 66 18.283 1.904 -7.533 1.00 0.34 H new ATOM 0 HG23 VAL B 66 19.596 3.057 -7.194 1.00 0.34 H new ATOM 2201 N ALA B 67 22.389 -0.307 -5.744 1.00 0.33 N ATOM 2202 CA ALA B 67 23.359 -1.392 -5.568 1.00 0.35 C ATOM 2203 C ALA B 67 23.214 -2.062 -4.210 1.00 0.32 C ATOM 2204 O ALA B 67 23.320 -3.279 -4.096 1.00 0.34 O ATOM 2205 CB ALA B 67 24.782 -0.895 -5.741 1.00 0.42 C ATOM 0 H ALA B 67 22.806 0.608 -5.916 1.00 0.33 H new ATOM 0 HA ALA B 67 23.146 -2.129 -6.342 1.00 0.35 H new ATOM 0 HB1 ALA B 67 25.476 -1.724 -5.604 1.00 0.42 H new ATOM 0 HB2 ALA B 67 24.904 -0.481 -6.742 1.00 0.42 H new ATOM 0 HB3 ALA B 67 24.990 -0.122 -5.001 1.00 0.42 H new ATOM 2211 N TYR B 68 22.964 -1.269 -3.182 1.00 0.30 N ATOM 2212 CA TYR B 68 22.781 -1.798 -1.840 1.00 0.30 C ATOM 2213 C TYR B 68 21.495 -2.609 -1.733 1.00 0.30 C ATOM 2214 O TYR B 68 21.400 -3.537 -0.931 1.00 0.33 O ATOM 2215 CB TYR B 68 22.841 -0.686 -0.800 1.00 0.32 C ATOM 2216 CG TYR B 68 24.261 -0.245 -0.529 1.00 0.51 C ATOM 2217 CD1 TYR B 68 25.125 -1.053 0.201 1.00 1.06 C ATOM 2218 CD2 TYR B 68 24.748 0.956 -1.021 1.00 1.31 C ATOM 2219 CE1 TYR B 68 26.432 -0.672 0.438 1.00 1.28 C ATOM 2220 CE2 TYR B 68 26.053 1.344 -0.794 1.00 1.54 C ATOM 2221 CZ TYR B 68 26.892 0.528 -0.067 1.00 1.19 C ATOM 2222 OH TYR B 68 28.195 0.916 0.159 1.00 1.55 O ATOM 0 H TYR B 68 22.883 -0.255 -3.251 1.00 0.30 H new ATOM 0 HA TYR B 68 23.606 -2.480 -1.633 1.00 0.30 H new ATOM 0 HB2 TYR B 68 22.256 0.166 -1.145 1.00 0.32 H new ATOM 0 HB3 TYR B 68 22.385 -1.031 0.128 1.00 0.32 H new ATOM 0 HD1 TYR B 68 24.768 -1.995 0.590 1.00 1.06 H new ATOM 0 HD2 TYR B 68 24.095 1.599 -1.592 1.00 1.31 H new ATOM 0 HE1 TYR B 68 27.088 -1.308 1.014 1.00 1.28 H new ATOM 0 HE2 TYR B 68 26.415 2.284 -1.185 1.00 1.54 H new ATOM 0 HH TYR B 68 28.356 1.784 -0.266 1.00 1.55 H new ATOM 2232 N LEU B 69 20.482 -2.222 -2.494 1.00 0.28 N ATOM 2233 CA LEU B 69 19.241 -2.986 -2.545 1.00 0.29 C ATOM 2234 C LEU B 69 19.477 -4.363 -3.158 1.00 0.31 C ATOM 2235 O LEU B 69 19.094 -5.379 -2.584 1.00 0.34 O ATOM 2236 CB LEU B 69 18.189 -2.234 -3.357 1.00 0.28 C ATOM 2237 CG LEU B 69 17.798 -0.878 -2.794 1.00 0.30 C ATOM 2238 CD1 LEU B 69 16.938 -0.111 -3.785 1.00 0.30 C ATOM 2239 CD2 LEU B 69 17.073 -1.040 -1.467 1.00 0.33 C ATOM 0 H LEU B 69 20.493 -1.389 -3.082 1.00 0.28 H new ATOM 0 HA LEU B 69 18.881 -3.115 -1.524 1.00 0.29 H new ATOM 0 HB2 LEU B 69 18.564 -2.096 -4.371 1.00 0.28 H new ATOM 0 HB3 LEU B 69 17.295 -2.853 -3.429 1.00 0.28 H new ATOM 0 HG LEU B 69 18.709 -0.305 -2.620 1.00 0.30 H new ATOM 0 HD11 LEU B 69 16.670 0.857 -3.361 1.00 0.30 H new ATOM 0 HD12 LEU B 69 17.495 0.040 -4.710 1.00 0.30 H new ATOM 0 HD13 LEU B 69 16.032 -0.679 -3.996 1.00 0.30 H new ATOM 0 HD21 LEU B 69 16.801 -0.058 -1.079 1.00 0.33 H new ATOM 0 HD22 LEU B 69 16.171 -1.634 -1.615 1.00 0.33 H new ATOM 0 HD23 LEU B 69 17.726 -1.543 -0.754 1.00 0.33 H new ATOM 2251 N GLU B 70 20.134 -4.404 -4.306 1.00 0.32 N ATOM 2252 CA GLU B 70 20.359 -5.667 -5.003 1.00 0.39 C ATOM 2253 C GLU B 70 21.439 -6.480 -4.331 1.00 0.44 C ATOM 2254 O GLU B 70 21.417 -7.712 -4.346 1.00 0.53 O ATOM 2255 CB GLU B 70 20.718 -5.430 -6.464 1.00 0.44 C ATOM 2256 CG GLU B 70 21.308 -4.059 -6.734 1.00 0.45 C ATOM 2257 CD GLU B 70 21.638 -3.827 -8.194 1.00 0.56 C ATOM 2258 OE1 GLU B 70 21.164 -4.605 -9.051 1.00 1.15 O ATOM 2259 OE2 GLU B 70 22.369 -2.863 -8.495 1.00 1.32 O ATOM 0 H GLU B 70 20.520 -3.585 -4.775 1.00 0.32 H new ATOM 0 HA GLU B 70 19.427 -6.231 -4.960 1.00 0.39 H new ATOM 0 HB2 GLU B 70 21.431 -6.191 -6.782 1.00 0.44 H new ATOM 0 HB3 GLU B 70 19.823 -5.557 -7.074 1.00 0.44 H new ATOM 0 HG2 GLU B 70 20.604 -3.296 -6.402 1.00 0.45 H new ATOM 0 HG3 GLU B 70 22.214 -3.937 -6.140 1.00 0.45 H new ATOM 2266 N GLY B 71 22.375 -5.775 -3.741 1.00 0.44 N ATOM 2267 CA GLY B 71 23.451 -6.412 -3.042 1.00 0.53 C ATOM 2268 C GLY B 71 24.665 -6.568 -3.912 1.00 0.65 C ATOM 2269 O GLY B 71 25.247 -7.648 -4.017 1.00 0.79 O ATOM 0 H GLY B 71 22.408 -4.756 -3.735 1.00 0.44 H new ATOM 0 HA2 GLY B 71 23.709 -5.826 -2.160 1.00 0.53 H new ATOM 0 HA3 GLY B 71 23.127 -7.392 -2.691 1.00 0.53 H new ATOM 2273 N LYS B 72 25.043 -5.479 -4.539 1.00 0.69 N ATOM 2274 CA LYS B 72 26.112 -5.489 -5.506 1.00 0.93 C ATOM 2275 C LYS B 72 27.316 -4.744 -4.958 1.00 1.13 C ATOM 2276 O LYS B 72 27.350 -3.506 -5.063 1.00 1.49 O ATOM 2277 CB LYS B 72 25.612 -4.862 -6.804 1.00 1.21 C ATOM 2278 CG LYS B 72 24.367 -5.543 -7.342 1.00 1.13 C ATOM 2279 CD LYS B 72 24.628 -6.994 -7.718 1.00 1.47 C ATOM 2280 CE LYS B 72 23.376 -7.661 -8.263 1.00 1.99 C ATOM 2281 NZ LYS B 72 23.614 -9.092 -8.593 1.00 2.58 N ATOM 2282 OXT LYS B 72 28.217 -5.403 -4.404 1.00 1.80 O ATOM 0 H LYS B 72 24.618 -4.563 -4.393 1.00 0.69 H new ATOM 0 HA LYS B 72 26.423 -6.513 -5.710 1.00 0.93 H new ATOM 0 HB2 LYS B 72 25.399 -3.807 -6.634 1.00 1.21 H new ATOM 0 HB3 LYS B 72 26.401 -4.912 -7.554 1.00 1.21 H new ATOM 0 HG2 LYS B 72 23.577 -5.499 -6.592 1.00 1.13 H new ATOM 0 HG3 LYS B 72 24.007 -5.001 -8.216 1.00 1.13 H new ATOM 0 HD2 LYS B 72 25.421 -7.041 -8.464 1.00 1.47 H new ATOM 0 HD3 LYS B 72 24.981 -7.540 -6.843 1.00 1.47 H new ATOM 0 HE2 LYS B 72 22.574 -7.585 -7.528 1.00 1.99 H new ATOM 0 HE3 LYS B 72 23.041 -7.132 -9.156 1.00 1.99 H new ATOM 0 HZ1 LYS B 72 22.738 -9.514 -8.962 1.00 2.58 H new ATOM 0 HZ2 LYS B 72 24.362 -9.163 -9.312 1.00 2.58 H new ATOM 0 HZ3 LYS B 72 23.909 -9.602 -7.736 1.00 2.58 H new TER 2296 LYS B 72