USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1007 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 80 THR OG1 : rot -69:sc= 1.56 USER MOD Set 1.2: A 83 SER OG : rot -160:sc= 1.32 USER MOD Set 2.1: A 71 THR OG1 : rot -134:sc= 0.558 USER MOD Set 2.2: A 78 LYS NZ :NH3+ -109:sc= 0.576 (180deg=-0.246) USER MOD Set 3.1: A 57 TYR OH : rot -103:sc= 1.24 USER MOD Set 3.2: B 204 A O2' : rot 14:sc= 1.21 USER MOD Set 4.1: A 15 SER OG : rot -10:sc= -1.5! USER MOD Set 4.2: A 29 SER OG : rot -140:sc= 0 USER MOD Set 5.1: A 25 ASN : amide:sc= 0.525 K(o=0.87,f=-0.75) USER MOD Set 5.2: A 28 TYR OH : rot 30:sc= 0.343 USER MOD Set 6.1: A 21 ASN : amide:sc= 0.638 K(o=1,f=-7.4!) USER MOD Set 6.2: A 23 THR OG1 : rot 41:sc= 0.373 USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0967 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl -158:sc= -2.7 (180deg=-4.86!) USER MOD Single : A 7 MET CE :methyl -152:sc= -2.01 (180deg=-2.75) USER MOD Single : A 10 TYR OH : rot -82:sc= 1.59 USER MOD Single : A 17 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0401) USER MOD Single : A 19 LYS NZ :NH3+ -172:sc= 1.27 (180deg=1.05) USER MOD Single : A 22 ASN : amide:sc= -1.89! C(o=-1.9!,f=-4!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.0654 X(o=-0.065,f=-0.064) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.0686 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -1.91! K(o=-1.9!,f=-0.41) USER MOD Single : A 49 SER OG : rot -38:sc= 0.0703 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 52 SER OG : rot 57:sc= 0.583 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 63 SER OG : rot 116:sc= 1.21 USER MOD Single : A 68 SER OG : rot -24:sc= 0.246 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 170:sc=-0.000586 (180deg=-0.115) USER MOD Single : A 84 TYR OH : rot 150:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.0438 X(o=-0.044,f=-0.13) USER MOD Single : A 98 HIS : no HD1:sc= -1.56 K(o=-1.6,f=-0.99) USER MOD Single : A 99 CYS SG : rot 140:sc= -0.838 USER MOD Single : A 101 ASN : amide:sc= -0.991 K(o=-0.99,f=-2.1!) USER MOD Single : A 104 SER OG : rot 180:sc= -0.0868 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -163:sc= 0.346 (180deg=0.174) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 116 CYS SG : rot 58:sc= -0.259 USER MOD Single : A 117 SER OG : rot 20:sc= 0.668 USER MOD Single : A 122 GLN : amide:sc= -0.0206 K(o=-0.021,f=-0.52) USER MOD Single : B 205 C O2' : rot 143:sc= 1.1 USER MOD Single : B 205 C O3' : rot 108:sc= -1.95 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.434 12.362 10.164 1.00 4.50 N ATOM 2 CA GLY A 1 -6.726 13.584 9.378 1.00 3.82 C ATOM 3 C GLY A 1 -8.194 13.941 9.428 1.00 3.11 C ATOM 4 O GLY A 1 -8.931 13.430 10.270 1.00 3.68 O ATOM 0 H1 GLY A 1 -5.702 12.572 10.873 1.00 4.50 H new ATOM 0 H2 GLY A 1 -7.300 12.043 10.644 1.00 4.50 H new ATOM 0 H3 GLY A 1 -6.095 11.613 9.528 1.00 4.50 H new ATOM 0 HA2 GLY A 1 -6.136 14.415 9.764 1.00 3.82 H new ATOM 0 HA3 GLY A 1 -6.423 13.432 8.342 1.00 3.82 H new ATOM 10 N ALA A 2 -8.625 14.816 8.533 1.00 2.29 N ATOM 11 CA ALA A 2 -10.027 15.184 8.439 1.00 2.08 C ATOM 12 C ALA A 2 -10.670 14.506 7.241 1.00 1.48 C ATOM 13 O ALA A 2 -10.287 14.763 6.095 1.00 1.84 O ATOM 14 CB ALA A 2 -10.184 16.693 8.340 1.00 2.71 C ATOM 0 H ALA A 2 -8.020 15.286 7.859 1.00 2.29 H new ATOM 0 HA ALA A 2 -10.531 14.848 9.345 1.00 2.08 H new ATOM 0 HB1 ALA A 2 -11.242 16.945 8.271 1.00 2.71 H new ATOM 0 HB2 ALA A 2 -9.757 17.162 9.226 1.00 2.71 H new ATOM 0 HB3 ALA A 2 -9.666 17.055 7.452 1.00 2.71 H new ATOM 20 N MET A 3 -11.635 13.629 7.518 1.00 1.46 N ATOM 21 CA MET A 3 -12.327 12.863 6.486 1.00 1.11 C ATOM 22 C MET A 3 -11.333 12.033 5.680 1.00 0.83 C ATOM 23 O MET A 3 -11.497 11.823 4.475 1.00 0.86 O ATOM 24 CB MET A 3 -13.136 13.786 5.573 1.00 1.57 C ATOM 25 CG MET A 3 -14.434 14.292 6.191 1.00 2.17 C ATOM 26 SD MET A 3 -14.169 15.403 7.588 1.00 3.21 S ATOM 27 CE MET A 3 -15.858 15.712 8.097 1.00 4.12 C ATOM 0 H MET A 3 -11.958 13.431 8.465 1.00 1.46 H new ATOM 0 HA MET A 3 -13.024 12.181 6.974 1.00 1.11 H new ATOM 0 HB2 MET A 3 -12.518 14.642 5.300 1.00 1.57 H new ATOM 0 HB3 MET A 3 -13.369 13.254 4.651 1.00 1.57 H new ATOM 0 HG2 MET A 3 -15.015 14.810 5.428 1.00 2.17 H new ATOM 0 HG3 MET A 3 -15.029 13.440 6.520 1.00 2.17 H new ATOM 0 HE1 MET A 3 -15.862 16.385 8.954 1.00 4.12 H new ATOM 0 HE2 MET A 3 -16.408 16.169 7.274 1.00 4.12 H new ATOM 0 HE3 MET A 3 -16.333 14.770 8.372 1.00 4.12 H new ATOM 37 N ALA A 4 -10.304 11.561 6.367 1.00 0.78 N ATOM 38 CA ALA A 4 -9.260 10.769 5.742 1.00 0.62 C ATOM 39 C ALA A 4 -9.345 9.327 6.218 1.00 0.57 C ATOM 40 O ALA A 4 -9.013 9.017 7.361 1.00 0.79 O ATOM 41 CB ALA A 4 -7.887 11.358 6.041 1.00 0.73 C ATOM 0 H ALA A 4 -10.171 11.716 7.366 1.00 0.78 H new ATOM 0 HA ALA A 4 -9.405 10.787 4.662 1.00 0.62 H new ATOM 0 HB1 ALA A 4 -7.118 10.750 5.564 1.00 0.73 H new ATOM 0 HB2 ALA A 4 -7.836 12.376 5.655 1.00 0.73 H new ATOM 0 HB3 ALA A 4 -7.723 11.370 7.119 1.00 0.73 H new ATOM 47 N MET A 5 -9.793 8.453 5.338 1.00 0.40 N ATOM 48 CA MET A 5 -9.988 7.057 5.682 1.00 0.39 C ATOM 49 C MET A 5 -8.724 6.267 5.422 1.00 0.36 C ATOM 50 O MET A 5 -8.019 6.525 4.454 1.00 0.38 O ATOM 51 CB MET A 5 -11.110 6.447 4.839 1.00 0.41 C ATOM 52 CG MET A 5 -12.500 6.959 5.164 1.00 0.47 C ATOM 53 SD MET A 5 -13.775 6.114 4.208 1.00 0.54 S ATOM 54 CE MET A 5 -13.246 6.475 2.536 1.00 1.31 C ATOM 0 H MET A 5 -10.030 8.686 4.374 1.00 0.40 H new ATOM 0 HA MET A 5 -10.249 7.011 6.739 1.00 0.39 H new ATOM 0 HB2 MET A 5 -10.903 6.643 3.787 1.00 0.41 H new ATOM 0 HB3 MET A 5 -11.097 5.365 4.970 1.00 0.41 H new ATOM 0 HG2 MET A 5 -12.696 6.824 6.228 1.00 0.47 H new ATOM 0 HG3 MET A 5 -12.547 8.029 4.964 1.00 0.47 H new ATOM 0 HE1 MET A 5 -14.093 6.377 1.857 1.00 1.31 H new ATOM 0 HE2 MET A 5 -12.859 7.493 2.489 1.00 1.31 H new ATOM 0 HE3 MET A 5 -12.463 5.776 2.243 1.00 1.31 H new ATOM 64 N PRO A 6 -8.397 5.308 6.283 1.00 0.38 N ATOM 65 CA PRO A 6 -7.436 4.283 5.932 1.00 0.37 C ATOM 66 C PRO A 6 -8.037 3.430 4.826 1.00 0.32 C ATOM 67 O PRO A 6 -9.205 3.059 4.898 1.00 0.30 O ATOM 68 CB PRO A 6 -7.262 3.470 7.222 1.00 0.47 C ATOM 69 CG PRO A 6 -7.853 4.311 8.306 1.00 0.53 C ATOM 70 CD PRO A 6 -8.910 5.153 7.649 1.00 0.49 C ATOM 0 HA PRO A 6 -6.482 4.669 5.573 1.00 0.37 H new ATOM 0 HB2 PRO A 6 -7.769 2.508 7.151 1.00 0.47 H new ATOM 0 HB3 PRO A 6 -6.210 3.262 7.416 1.00 0.47 H new ATOM 0 HG2 PRO A 6 -8.282 3.689 9.092 1.00 0.53 H new ATOM 0 HG3 PRO A 6 -7.092 4.936 8.774 1.00 0.53 H new ATOM 0 HD2 PRO A 6 -9.884 4.663 7.663 1.00 0.49 H new ATOM 0 HD3 PRO A 6 -9.030 6.115 8.148 1.00 0.49 H new ATOM 78 N MET A 7 -7.262 3.154 3.788 1.00 0.31 N ATOM 79 CA MET A 7 -7.765 2.408 2.636 1.00 0.28 C ATOM 80 C MET A 7 -8.227 1.008 3.032 1.00 0.27 C ATOM 81 O MET A 7 -9.035 0.392 2.338 1.00 0.29 O ATOM 82 CB MET A 7 -6.706 2.363 1.537 1.00 0.30 C ATOM 83 CG MET A 7 -6.789 3.539 0.576 1.00 0.33 C ATOM 84 SD MET A 7 -8.065 3.312 -0.675 1.00 1.17 S ATOM 85 CE MET A 7 -7.430 1.885 -1.546 1.00 0.48 C ATOM 0 H MET A 7 -6.284 3.433 3.716 1.00 0.31 H new ATOM 0 HA MET A 7 -8.640 2.927 2.246 1.00 0.28 H new ATOM 0 HB2 MET A 7 -5.717 2.346 1.995 1.00 0.30 H new ATOM 0 HB3 MET A 7 -6.814 1.435 0.975 1.00 0.30 H new ATOM 0 HG2 MET A 7 -6.992 4.451 1.138 1.00 0.33 H new ATOM 0 HG3 MET A 7 -5.824 3.674 0.087 1.00 0.33 H new ATOM 0 HE1 MET A 7 -7.774 1.907 -2.580 1.00 0.48 H new ATOM 0 HE2 MET A 7 -6.340 1.902 -1.526 1.00 0.48 H new ATOM 0 HE3 MET A 7 -7.788 0.975 -1.064 1.00 0.48 H new ATOM 95 N ILE A 8 -7.724 0.521 4.159 1.00 0.26 N ATOM 96 CA ILE A 8 -8.233 -0.707 4.757 1.00 0.25 C ATOM 97 C ILE A 8 -9.691 -0.520 5.172 1.00 0.24 C ATOM 98 O ILE A 8 -10.540 -1.372 4.910 1.00 0.26 O ATOM 99 CB ILE A 8 -7.386 -1.116 5.985 1.00 0.23 C ATOM 100 CG1 ILE A 8 -5.981 -1.530 5.541 1.00 0.25 C ATOM 101 CG2 ILE A 8 -8.054 -2.234 6.771 1.00 0.25 C ATOM 102 CD1 ILE A 8 -5.959 -2.731 4.616 1.00 0.27 C ATOM 0 H ILE A 8 -6.963 0.958 4.678 1.00 0.26 H new ATOM 0 HA ILE A 8 -8.167 -1.502 4.014 1.00 0.25 H new ATOM 0 HB ILE A 8 -7.306 -0.253 6.646 1.00 0.23 H new ATOM 0 HG12 ILE A 8 -5.506 -0.687 5.038 1.00 0.25 H new ATOM 0 HG13 ILE A 8 -5.382 -1.753 6.424 1.00 0.25 H new ATOM 0 HG21 ILE A 8 -7.433 -2.498 7.627 1.00 0.25 H new ATOM 0 HG22 ILE A 8 -9.031 -1.900 7.120 1.00 0.25 H new ATOM 0 HG23 ILE A 8 -8.177 -3.107 6.129 1.00 0.25 H new ATOM 0 HD11 ILE A 8 -4.929 -2.963 4.345 1.00 0.27 H new ATOM 0 HD12 ILE A 8 -6.403 -3.588 5.122 1.00 0.27 H new ATOM 0 HD13 ILE A 8 -6.529 -2.506 3.715 1.00 0.27 H new ATOM 114 N GLU A 9 -9.976 0.627 5.781 1.00 0.26 N ATOM 115 CA GLU A 9 -11.324 0.956 6.228 1.00 0.28 C ATOM 116 C GLU A 9 -12.250 1.134 5.028 1.00 0.26 C ATOM 117 O GLU A 9 -13.444 0.851 5.110 1.00 0.28 O ATOM 118 CB GLU A 9 -11.312 2.234 7.074 1.00 0.32 C ATOM 119 CG GLU A 9 -12.643 2.537 7.741 1.00 0.40 C ATOM 120 CD GLU A 9 -12.644 3.867 8.468 1.00 0.87 C ATOM 121 OE1 GLU A 9 -11.857 4.029 9.425 1.00 1.01 O ATOM 122 OE2 GLU A 9 -13.443 4.751 8.096 1.00 1.62 O ATOM 0 H GLU A 9 -9.284 1.350 5.977 1.00 0.26 H new ATOM 0 HA GLU A 9 -11.693 0.134 6.841 1.00 0.28 H new ATOM 0 HB2 GLU A 9 -10.543 2.144 7.841 1.00 0.32 H new ATOM 0 HB3 GLU A 9 -11.033 3.076 6.441 1.00 0.32 H new ATOM 0 HG2 GLU A 9 -13.430 2.539 6.987 1.00 0.40 H new ATOM 0 HG3 GLU A 9 -12.880 1.741 8.447 1.00 0.40 H new ATOM 129 N TYR A 10 -11.696 1.604 3.911 1.00 0.28 N ATOM 130 CA TYR A 10 -12.470 1.740 2.680 1.00 0.29 C ATOM 131 C TYR A 10 -13.019 0.374 2.276 1.00 0.28 C ATOM 132 O TYR A 10 -14.195 0.233 1.933 1.00 0.31 O ATOM 133 CB TYR A 10 -11.607 2.321 1.545 1.00 0.31 C ATOM 134 CG TYR A 10 -12.390 2.631 0.278 1.00 0.39 C ATOM 135 CD1 TYR A 10 -12.575 1.669 -0.711 1.00 0.47 C ATOM 136 CD2 TYR A 10 -12.958 3.883 0.081 1.00 0.50 C ATOM 137 CE1 TYR A 10 -13.301 1.948 -1.855 1.00 0.57 C ATOM 138 CE2 TYR A 10 -13.689 4.168 -1.058 1.00 0.59 C ATOM 139 CZ TYR A 10 -13.859 3.198 -2.023 1.00 0.60 C ATOM 140 OH TYR A 10 -14.591 3.478 -3.157 1.00 0.71 O ATOM 0 H TYR A 10 -10.721 1.895 3.834 1.00 0.28 H new ATOM 0 HA TYR A 10 -13.295 2.429 2.859 1.00 0.29 H new ATOM 0 HB2 TYR A 10 -11.126 3.234 1.897 1.00 0.31 H new ATOM 0 HB3 TYR A 10 -10.812 1.614 1.307 1.00 0.31 H new ATOM 0 HD1 TYR A 10 -12.144 0.687 -0.583 1.00 0.47 H new ATOM 0 HD2 TYR A 10 -12.826 4.648 0.831 1.00 0.50 H new ATOM 0 HE1 TYR A 10 -13.430 1.190 -2.613 1.00 0.57 H new ATOM 0 HE2 TYR A 10 -14.125 5.147 -1.191 1.00 0.59 H new ATOM 0 HH TYR A 10 -13.983 3.708 -3.890 1.00 0.71 H new ATOM 150 N LEU A 11 -12.161 -0.633 2.342 1.00 0.27 N ATOM 151 CA LEU A 11 -12.562 -1.992 2.017 1.00 0.28 C ATOM 152 C LEU A 11 -13.554 -2.529 3.042 1.00 0.28 C ATOM 153 O LEU A 11 -14.500 -3.229 2.688 1.00 0.31 O ATOM 154 CB LEU A 11 -11.343 -2.914 1.916 1.00 0.32 C ATOM 155 CG LEU A 11 -10.649 -2.937 0.547 1.00 0.55 C ATOM 156 CD1 LEU A 11 -10.228 -1.538 0.123 1.00 1.14 C ATOM 157 CD2 LEU A 11 -9.447 -3.871 0.578 1.00 1.24 C ATOM 0 H LEU A 11 -11.184 -0.534 2.617 1.00 0.27 H new ATOM 0 HA LEU A 11 -13.055 -1.969 1.045 1.00 0.28 H new ATOM 0 HB2 LEU A 11 -10.615 -2.611 2.669 1.00 0.32 H new ATOM 0 HB3 LEU A 11 -11.654 -3.929 2.164 1.00 0.32 H new ATOM 0 HG LEU A 11 -11.362 -3.310 -0.188 1.00 0.55 H new ATOM 0 HD11 LEU A 11 -9.739 -1.584 -0.850 1.00 1.14 H new ATOM 0 HD12 LEU A 11 -11.108 -0.898 0.057 1.00 1.14 H new ATOM 0 HD13 LEU A 11 -9.535 -1.128 0.858 1.00 1.14 H new ATOM 0 HD21 LEU A 11 -8.965 -3.877 -0.400 1.00 1.24 H new ATOM 0 HD22 LEU A 11 -8.737 -3.526 1.330 1.00 1.24 H new ATOM 0 HD23 LEU A 11 -9.777 -4.880 0.826 1.00 1.24 H new ATOM 169 N GLU A 12 -13.351 -2.186 4.304 1.00 0.29 N ATOM 170 CA GLU A 12 -14.270 -2.600 5.357 1.00 0.34 C ATOM 171 C GLU A 12 -15.665 -2.023 5.123 1.00 0.39 C ATOM 172 O GLU A 12 -16.651 -2.755 5.082 1.00 0.43 O ATOM 173 CB GLU A 12 -13.762 -2.150 6.728 1.00 0.40 C ATOM 174 CG GLU A 12 -12.453 -2.793 7.144 1.00 0.39 C ATOM 175 CD GLU A 12 -12.071 -2.452 8.567 1.00 0.81 C ATOM 176 OE1 GLU A 12 -12.984 -2.307 9.407 1.00 1.22 O ATOM 177 OE2 GLU A 12 -10.862 -2.353 8.862 1.00 1.50 O ATOM 0 H GLU A 12 -12.562 -1.625 4.625 1.00 0.29 H new ATOM 0 HA GLU A 12 -14.326 -3.688 5.333 1.00 0.34 H new ATOM 0 HB2 GLU A 12 -13.636 -1.067 6.720 1.00 0.40 H new ATOM 0 HB3 GLU A 12 -14.520 -2.377 7.477 1.00 0.40 H new ATOM 0 HG2 GLU A 12 -12.534 -3.875 7.042 1.00 0.39 H new ATOM 0 HG3 GLU A 12 -11.661 -2.467 6.470 1.00 0.39 H new ATOM 184 N ARG A 13 -15.730 -0.712 4.945 1.00 0.40 N ATOM 185 CA ARG A 13 -17.001 -0.002 4.841 1.00 0.47 C ATOM 186 C ARG A 13 -17.752 -0.342 3.560 1.00 0.45 C ATOM 187 O ARG A 13 -18.954 -0.600 3.589 1.00 0.55 O ATOM 188 CB ARG A 13 -16.765 1.511 4.904 1.00 0.55 C ATOM 189 CG ARG A 13 -16.120 1.969 6.198 1.00 0.80 C ATOM 190 CD ARG A 13 -15.631 3.410 6.119 1.00 0.71 C ATOM 191 NE ARG A 13 -16.716 4.380 5.947 1.00 0.77 N ATOM 192 CZ ARG A 13 -16.609 5.674 6.276 1.00 0.92 C ATOM 193 NH1 ARG A 13 -15.507 6.130 6.860 1.00 1.19 N ATOM 194 NH2 ARG A 13 -17.606 6.512 6.035 1.00 1.10 N ATOM 0 H ARG A 13 -14.909 -0.111 4.869 1.00 0.40 H new ATOM 0 HA ARG A 13 -17.615 -0.323 5.682 1.00 0.47 H new ATOM 0 HB2 ARG A 13 -16.132 1.807 4.067 1.00 0.55 H new ATOM 0 HB3 ARG A 13 -17.718 2.025 4.781 1.00 0.55 H new ATOM 0 HG2 ARG A 13 -16.838 1.875 7.013 1.00 0.80 H new ATOM 0 HG3 ARG A 13 -15.281 1.315 6.435 1.00 0.80 H new ATOM 0 HD2 ARG A 13 -15.079 3.650 7.028 1.00 0.71 H new ATOM 0 HD3 ARG A 13 -14.933 3.505 5.287 1.00 0.71 H new ATOM 0 HE ARG A 13 -17.599 4.052 5.556 1.00 0.77 H new ATOM 0 HH11 ARG A 13 -14.735 5.494 7.061 1.00 1.19 H new ATOM 0 HH12 ARG A 13 -15.432 7.117 7.108 1.00 1.19 H new ATOM 0 HH21 ARG A 13 -18.462 6.173 5.596 1.00 1.10 H new ATOM 0 HH22 ARG A 13 -17.518 7.496 6.288 1.00 1.10 H new ATOM 208 N PHE A 14 -17.054 -0.340 2.434 1.00 0.40 N ATOM 209 CA PHE A 14 -17.731 -0.417 1.145 1.00 0.42 C ATOM 210 C PHE A 14 -17.535 -1.763 0.446 1.00 0.43 C ATOM 211 O PHE A 14 -18.409 -2.206 -0.294 1.00 0.55 O ATOM 212 CB PHE A 14 -17.240 0.704 0.225 1.00 0.42 C ATOM 213 CG PHE A 14 -17.196 2.055 0.880 1.00 0.46 C ATOM 214 CD1 PHE A 14 -18.348 2.807 1.048 1.00 0.61 C ATOM 215 CD2 PHE A 14 -15.994 2.573 1.326 1.00 0.42 C ATOM 216 CE1 PHE A 14 -18.297 4.051 1.650 1.00 0.67 C ATOM 217 CE2 PHE A 14 -15.934 3.812 1.927 1.00 0.50 C ATOM 218 CZ PHE A 14 -17.087 4.554 2.089 1.00 0.60 C ATOM 0 H PHE A 14 -16.037 -0.287 2.384 1.00 0.40 H new ATOM 0 HA PHE A 14 -18.796 -0.306 1.348 1.00 0.42 H new ATOM 0 HB2 PHE A 14 -16.242 0.454 -0.136 1.00 0.42 H new ATOM 0 HB3 PHE A 14 -17.891 0.755 -0.648 1.00 0.42 H new ATOM 0 HD1 PHE A 14 -19.295 2.418 0.705 1.00 0.61 H new ATOM 0 HD2 PHE A 14 -15.088 1.998 1.202 1.00 0.42 H new ATOM 0 HE1 PHE A 14 -19.201 4.628 1.777 1.00 0.67 H new ATOM 0 HE2 PHE A 14 -14.987 4.202 2.270 1.00 0.50 H new ATOM 0 HZ PHE A 14 -17.043 5.526 2.558 1.00 0.60 H new ATOM 228 N SER A 15 -16.409 -2.419 0.677 1.00 0.39 N ATOM 229 CA SER A 15 -16.036 -3.550 -0.168 1.00 0.46 C ATOM 230 C SER A 15 -16.456 -4.897 0.436 1.00 0.49 C ATOM 231 O SER A 15 -17.127 -5.691 -0.224 1.00 0.59 O ATOM 232 CB SER A 15 -14.528 -3.521 -0.427 1.00 0.47 C ATOM 233 OG SER A 15 -14.181 -4.316 -1.545 1.00 1.46 O ATOM 0 H SER A 15 -15.749 -2.198 1.423 1.00 0.39 H new ATOM 0 HA SER A 15 -16.572 -3.451 -1.112 1.00 0.46 H new ATOM 0 HB2 SER A 15 -14.206 -2.493 -0.595 1.00 0.47 H new ATOM 0 HB3 SER A 15 -13.999 -3.881 0.455 1.00 0.47 H new ATOM 0 HG SER A 15 -14.957 -4.847 -1.822 1.00 1.46 H new ATOM 239 N LEU A 16 -16.077 -5.149 1.681 1.00 0.45 N ATOM 240 CA LEU A 16 -16.382 -6.424 2.325 1.00 0.51 C ATOM 241 C LEU A 16 -17.537 -6.293 3.308 1.00 0.57 C ATOM 242 O LEU A 16 -18.178 -7.282 3.662 1.00 0.67 O ATOM 243 CB LEU A 16 -15.151 -6.970 3.055 1.00 0.54 C ATOM 244 CG LEU A 16 -14.095 -7.641 2.169 1.00 0.57 C ATOM 245 CD1 LEU A 16 -12.846 -7.937 2.975 1.00 1.13 C ATOM 246 CD2 LEU A 16 -14.632 -8.933 1.567 1.00 1.33 C ATOM 0 H LEU A 16 -15.560 -4.492 2.265 1.00 0.45 H new ATOM 0 HA LEU A 16 -16.675 -7.119 1.538 1.00 0.51 H new ATOM 0 HB2 LEU A 16 -14.678 -6.149 3.594 1.00 0.54 H new ATOM 0 HB3 LEU A 16 -15.484 -7.692 3.801 1.00 0.54 H new ATOM 0 HG LEU A 16 -13.849 -6.954 1.359 1.00 0.57 H new ATOM 0 HD11 LEU A 16 -12.104 -8.413 2.334 1.00 1.13 H new ATOM 0 HD12 LEU A 16 -12.440 -7.006 3.371 1.00 1.13 H new ATOM 0 HD13 LEU A 16 -13.095 -8.604 3.800 1.00 1.13 H new ATOM 0 HD21 LEU A 16 -13.864 -9.390 0.943 1.00 1.33 H new ATOM 0 HD22 LEU A 16 -14.906 -9.621 2.367 1.00 1.33 H new ATOM 0 HD23 LEU A 16 -15.510 -8.714 0.960 1.00 1.33 H new ATOM 258 N LYS A 17 -17.785 -5.056 3.745 1.00 0.56 N ATOM 259 CA LYS A 17 -18.821 -4.757 4.738 1.00 0.66 C ATOM 260 C LYS A 17 -18.478 -5.406 6.080 1.00 0.72 C ATOM 261 O LYS A 17 -19.341 -5.567 6.945 1.00 0.83 O ATOM 262 CB LYS A 17 -20.204 -5.221 4.261 1.00 0.75 C ATOM 263 CG LYS A 17 -20.627 -4.634 2.923 1.00 0.77 C ATOM 264 CD LYS A 17 -20.709 -3.118 2.970 1.00 1.12 C ATOM 265 CE LYS A 17 -21.093 -2.538 1.617 1.00 1.28 C ATOM 266 NZ LYS A 17 -22.486 -2.885 1.229 1.00 2.11 N ATOM 0 H LYS A 17 -17.275 -4.234 3.421 1.00 0.56 H new ATOM 0 HA LYS A 17 -18.856 -3.675 4.867 1.00 0.66 H new ATOM 0 HB2 LYS A 17 -20.205 -6.308 4.185 1.00 0.75 H new ATOM 0 HB3 LYS A 17 -20.945 -4.953 5.014 1.00 0.75 H new ATOM 0 HG2 LYS A 17 -19.916 -4.935 2.153 1.00 0.77 H new ATOM 0 HG3 LYS A 17 -21.597 -5.041 2.638 1.00 0.77 H new ATOM 0 HD2 LYS A 17 -21.442 -2.815 3.718 1.00 1.12 H new ATOM 0 HD3 LYS A 17 -19.748 -2.710 3.282 1.00 1.12 H new ATOM 0 HE2 LYS A 17 -20.986 -1.454 1.645 1.00 1.28 H new ATOM 0 HE3 LYS A 17 -20.404 -2.907 0.857 1.00 1.28 H new ATOM 0 HZ1 LYS A 17 -22.742 -2.373 0.361 1.00 2.11 H new ATOM 0 HZ2 LYS A 17 -22.554 -3.909 1.060 1.00 2.11 H new ATOM 0 HZ3 LYS A 17 -23.137 -2.616 1.994 1.00 2.11 H new ATOM 280 N ALA A 18 -17.205 -5.752 6.248 1.00 0.68 N ATOM 281 CA ALA A 18 -16.739 -6.464 7.428 1.00 0.75 C ATOM 282 C ALA A 18 -15.313 -6.050 7.774 1.00 0.72 C ATOM 283 O ALA A 18 -14.636 -5.406 6.973 1.00 0.96 O ATOM 284 CB ALA A 18 -16.813 -7.968 7.198 1.00 0.78 C ATOM 0 H ALA A 18 -16.471 -5.546 5.570 1.00 0.68 H new ATOM 0 HA ALA A 18 -17.385 -6.206 8.267 1.00 0.75 H new ATOM 0 HB1 ALA A 18 -16.462 -8.490 8.088 1.00 0.78 H new ATOM 0 HB2 ALA A 18 -17.845 -8.254 6.993 1.00 0.78 H new ATOM 0 HB3 ALA A 18 -16.186 -8.237 6.348 1.00 0.78 H new ATOM 290 N LYS A 19 -14.867 -6.431 8.967 1.00 0.64 N ATOM 291 CA LYS A 19 -13.545 -6.058 9.460 1.00 0.62 C ATOM 292 C LYS A 19 -12.433 -6.759 8.686 1.00 0.55 C ATOM 293 O LYS A 19 -12.427 -7.985 8.541 1.00 0.61 O ATOM 294 CB LYS A 19 -13.424 -6.380 10.956 1.00 0.72 C ATOM 295 CG LYS A 19 -12.076 -6.005 11.554 1.00 0.76 C ATOM 296 CD LYS A 19 -11.783 -4.527 11.361 1.00 1.24 C ATOM 297 CE LYS A 19 -10.348 -4.182 11.719 1.00 2.05 C ATOM 298 NZ LYS A 19 -10.018 -2.781 11.353 1.00 2.59 N ATOM 0 H LYS A 19 -15.407 -7.003 9.616 1.00 0.64 H new ATOM 0 HA LYS A 19 -13.431 -4.984 9.310 1.00 0.62 H new ATOM 0 HB2 LYS A 19 -14.211 -5.854 11.497 1.00 0.72 H new ATOM 0 HB3 LYS A 19 -13.594 -7.446 11.104 1.00 0.72 H new ATOM 0 HG2 LYS A 19 -12.067 -6.245 12.617 1.00 0.76 H new ATOM 0 HG3 LYS A 19 -11.290 -6.599 11.087 1.00 0.76 H new ATOM 0 HD2 LYS A 19 -11.975 -4.251 10.324 1.00 1.24 H new ATOM 0 HD3 LYS A 19 -12.462 -3.939 11.978 1.00 1.24 H new ATOM 0 HE2 LYS A 19 -10.194 -4.326 12.788 1.00 2.05 H new ATOM 0 HE3 LYS A 19 -9.670 -4.863 11.205 1.00 2.05 H new ATOM 0 HZ1 LYS A 19 -8.999 -2.619 11.484 1.00 2.59 H new ATOM 0 HZ2 LYS A 19 -10.270 -2.614 10.358 1.00 2.59 H new ATOM 0 HZ3 LYS A 19 -10.553 -2.128 11.960 1.00 2.59 H new ATOM 312 N ILE A 20 -11.506 -5.956 8.188 1.00 0.48 N ATOM 313 CA ILE A 20 -10.306 -6.456 7.542 1.00 0.45 C ATOM 314 C ILE A 20 -9.336 -6.999 8.585 1.00 0.54 C ATOM 315 O ILE A 20 -9.102 -6.371 9.619 1.00 0.61 O ATOM 316 CB ILE A 20 -9.611 -5.338 6.730 1.00 0.41 C ATOM 317 CG1 ILE A 20 -10.416 -4.993 5.476 1.00 0.34 C ATOM 318 CG2 ILE A 20 -8.187 -5.735 6.349 1.00 0.47 C ATOM 319 CD1 ILE A 20 -10.398 -6.080 4.424 1.00 0.30 C ATOM 0 H ILE A 20 -11.566 -4.938 8.221 1.00 0.48 H new ATOM 0 HA ILE A 20 -10.598 -7.256 6.862 1.00 0.45 H new ATOM 0 HB ILE A 20 -9.561 -4.454 7.366 1.00 0.41 H new ATOM 0 HG12 ILE A 20 -11.449 -4.793 5.762 1.00 0.34 H new ATOM 0 HG13 ILE A 20 -10.021 -4.074 5.043 1.00 0.34 H new ATOM 0 HG21 ILE A 20 -7.725 -4.929 5.779 1.00 0.47 H new ATOM 0 HG22 ILE A 20 -7.607 -5.920 7.253 1.00 0.47 H new ATOM 0 HG23 ILE A 20 -8.212 -6.640 5.743 1.00 0.47 H new ATOM 0 HD11 ILE A 20 -10.990 -5.764 3.565 1.00 0.30 H new ATOM 0 HD12 ILE A 20 -9.371 -6.265 4.109 1.00 0.30 H new ATOM 0 HD13 ILE A 20 -10.821 -6.995 4.839 1.00 0.30 H new ATOM 331 N ASN A 21 -8.793 -8.171 8.311 1.00 0.59 N ATOM 332 CA ASN A 21 -7.795 -8.783 9.170 1.00 0.73 C ATOM 333 C ASN A 21 -6.836 -9.620 8.331 1.00 0.75 C ATOM 334 O ASN A 21 -6.987 -9.689 7.113 1.00 0.71 O ATOM 335 CB ASN A 21 -8.459 -9.624 10.271 1.00 0.83 C ATOM 336 CG ASN A 21 -9.459 -10.632 9.735 1.00 1.27 C ATOM 337 OD1 ASN A 21 -9.309 -11.156 8.632 1.00 1.96 O ATOM 338 ND2 ASN A 21 -10.491 -10.908 10.512 1.00 1.76 N ATOM 0 H ASN A 21 -9.031 -8.725 7.488 1.00 0.59 H new ATOM 0 HA ASN A 21 -7.224 -7.997 9.665 1.00 0.73 H new ATOM 0 HB2 ASN A 21 -7.687 -10.151 10.831 1.00 0.83 H new ATOM 0 HB3 ASN A 21 -8.964 -8.959 10.972 1.00 0.83 H new ATOM 0 HD21 ASN A 21 -11.197 -11.576 10.203 1.00 1.76 H new ATOM 0 HD22 ASN A 21 -10.581 -10.453 11.421 1.00 1.76 H new ATOM 345 N ASN A 22 -5.856 -10.247 8.963 1.00 0.88 N ATOM 346 CA ASN A 22 -4.835 -10.994 8.226 1.00 0.98 C ATOM 347 C ASN A 22 -5.387 -12.324 7.712 1.00 0.93 C ATOM 348 O ASN A 22 -4.904 -12.876 6.721 1.00 1.05 O ATOM 349 CB ASN A 22 -3.609 -11.240 9.111 1.00 1.19 C ATOM 350 CG ASN A 22 -2.403 -11.710 8.316 1.00 1.98 C ATOM 351 OD1 ASN A 22 -2.221 -11.333 7.160 1.00 2.79 O ATOM 352 ND2 ASN A 22 -1.567 -12.529 8.936 1.00 2.54 N ATOM 0 H ASN A 22 -5.742 -10.257 9.977 1.00 0.88 H new ATOM 0 HA ASN A 22 -4.537 -10.394 7.366 1.00 0.98 H new ATOM 0 HB2 ASN A 22 -3.356 -10.321 9.640 1.00 1.19 H new ATOM 0 HB3 ASN A 22 -3.855 -11.985 9.867 1.00 1.19 H new ATOM 0 HD21 ASN A 22 -0.736 -12.871 8.453 1.00 2.54 H new ATOM 0 HD22 ASN A 22 -1.754 -12.818 9.896 1.00 2.54 H new ATOM 359 N THR A 23 -6.404 -12.835 8.389 1.00 0.85 N ATOM 360 CA THR A 23 -6.991 -14.119 8.034 1.00 0.88 C ATOM 361 C THR A 23 -7.873 -14.024 6.789 1.00 0.71 C ATOM 362 O THR A 23 -7.991 -14.988 6.028 1.00 0.74 O ATOM 363 CB THR A 23 -7.799 -14.693 9.212 1.00 1.04 C ATOM 364 OG1 THR A 23 -8.506 -13.640 9.879 1.00 1.30 O ATOM 365 CG2 THR A 23 -6.886 -15.400 10.201 1.00 1.69 C ATOM 0 H THR A 23 -6.841 -12.379 9.190 1.00 0.85 H new ATOM 0 HA THR A 23 -6.166 -14.794 7.804 1.00 0.88 H new ATOM 0 HB THR A 23 -8.511 -15.417 8.817 1.00 1.04 H new ATOM 0 HG1 THR A 23 -8.880 -13.024 9.214 1.00 1.30 H new ATOM 0 HG21 THR A 23 -7.480 -15.797 11.024 1.00 1.69 H new ATOM 0 HG22 THR A 23 -6.369 -16.218 9.699 1.00 1.69 H new ATOM 0 HG23 THR A 23 -6.154 -14.693 10.590 1.00 1.69 H new ATOM 373 N THR A 24 -8.492 -12.867 6.582 1.00 0.57 N ATOM 374 CA THR A 24 -9.317 -12.652 5.407 1.00 0.45 C ATOM 375 C THR A 24 -8.429 -12.385 4.194 1.00 0.42 C ATOM 376 O THR A 24 -7.379 -11.746 4.301 1.00 0.50 O ATOM 377 CB THR A 24 -10.319 -11.488 5.618 1.00 0.44 C ATOM 378 OG1 THR A 24 -11.431 -11.624 4.723 1.00 1.08 O ATOM 379 CG2 THR A 24 -9.669 -10.129 5.391 1.00 0.92 C ATOM 0 H THR A 24 -8.436 -12.068 7.213 1.00 0.57 H new ATOM 0 HA THR A 24 -9.902 -13.555 5.232 1.00 0.45 H new ATOM 0 HB THR A 24 -10.658 -11.541 6.653 1.00 0.44 H new ATOM 0 HG1 THR A 24 -12.058 -10.885 4.866 1.00 1.08 H new ATOM 0 HG21 THR A 24 -10.406 -9.342 5.549 1.00 0.92 H new ATOM 0 HG22 THR A 24 -8.844 -9.999 6.091 1.00 0.92 H new ATOM 0 HG23 THR A 24 -9.291 -10.072 4.370 1.00 0.92 H new ATOM 387 N ASN A 25 -8.828 -12.906 3.053 1.00 0.43 N ATOM 388 CA ASN A 25 -8.084 -12.690 1.831 1.00 0.52 C ATOM 389 C ASN A 25 -8.642 -11.485 1.101 1.00 0.50 C ATOM 390 O ASN A 25 -9.702 -11.560 0.474 1.00 0.52 O ATOM 391 CB ASN A 25 -8.126 -13.930 0.937 1.00 0.64 C ATOM 392 CG ASN A 25 -7.303 -15.073 1.502 1.00 0.91 C ATOM 393 OD1 ASN A 25 -6.291 -14.855 2.167 1.00 1.72 O ATOM 394 ND2 ASN A 25 -7.724 -16.303 1.241 1.00 1.40 N ATOM 0 H ASN A 25 -9.663 -13.482 2.946 1.00 0.43 H new ATOM 0 HA ASN A 25 -7.041 -12.501 2.085 1.00 0.52 H new ATOM 0 HB2 ASN A 25 -9.160 -14.254 0.817 1.00 0.64 H new ATOM 0 HB3 ASN A 25 -7.755 -13.673 -0.055 1.00 0.64 H new ATOM 0 HD21 ASN A 25 -7.204 -17.106 1.595 1.00 1.40 H new ATOM 0 HD22 ASN A 25 -8.568 -16.446 0.686 1.00 1.40 H new ATOM 401 N LEU A 26 -7.921 -10.372 1.197 1.00 0.56 N ATOM 402 CA LEU A 26 -8.331 -9.123 0.565 1.00 0.60 C ATOM 403 C LEU A 26 -8.547 -9.313 -0.927 1.00 0.60 C ATOM 404 O LEU A 26 -9.307 -8.571 -1.541 1.00 0.63 O ATOM 405 CB LEU A 26 -7.293 -8.018 0.799 1.00 0.68 C ATOM 406 CG LEU A 26 -7.134 -7.570 2.255 1.00 0.78 C ATOM 407 CD1 LEU A 26 -6.228 -8.514 3.030 1.00 1.36 C ATOM 408 CD2 LEU A 26 -6.610 -6.150 2.315 1.00 1.61 C ATOM 0 H LEU A 26 -7.042 -10.310 1.711 1.00 0.56 H new ATOM 0 HA LEU A 26 -9.273 -8.821 1.023 1.00 0.60 H new ATOM 0 HB2 LEU A 26 -6.326 -8.367 0.435 1.00 0.68 H new ATOM 0 HB3 LEU A 26 -7.566 -7.152 0.197 1.00 0.68 H new ATOM 0 HG LEU A 26 -8.117 -7.598 2.726 1.00 0.78 H new ATOM 0 HD11 LEU A 26 -6.136 -8.167 4.059 1.00 1.36 H new ATOM 0 HD12 LEU A 26 -6.655 -9.517 3.022 1.00 1.36 H new ATOM 0 HD13 LEU A 26 -5.242 -8.535 2.565 1.00 1.36 H new ATOM 0 HD21 LEU A 26 -6.502 -5.846 3.356 1.00 1.61 H new ATOM 0 HD22 LEU A 26 -5.640 -6.099 1.820 1.00 1.61 H new ATOM 0 HD23 LEU A 26 -7.310 -5.482 1.812 1.00 1.61 H new ATOM 420 N ASP A 27 -7.883 -10.325 -1.487 1.00 0.60 N ATOM 421 CA ASP A 27 -7.981 -10.661 -2.908 1.00 0.61 C ATOM 422 C ASP A 27 -9.438 -10.709 -3.368 1.00 0.64 C ATOM 423 O ASP A 27 -9.777 -10.182 -4.428 1.00 0.71 O ATOM 424 CB ASP A 27 -7.322 -12.025 -3.157 1.00 0.63 C ATOM 425 CG ASP A 27 -7.124 -12.337 -4.631 1.00 0.60 C ATOM 426 OD1 ASP A 27 -8.123 -12.441 -5.364 1.00 0.73 O ATOM 427 OD2 ASP A 27 -5.959 -12.485 -5.058 1.00 0.80 O ATOM 0 H ASP A 27 -7.258 -10.938 -0.964 1.00 0.60 H new ATOM 0 HA ASP A 27 -7.468 -9.886 -3.478 1.00 0.61 H new ATOM 0 HB2 ASP A 27 -6.355 -12.051 -2.654 1.00 0.63 H new ATOM 0 HB3 ASP A 27 -7.936 -12.805 -2.707 1.00 0.63 H new ATOM 432 N TYR A 28 -10.301 -11.289 -2.531 1.00 0.70 N ATOM 433 CA TYR A 28 -11.699 -11.537 -2.892 1.00 0.84 C ATOM 434 C TYR A 28 -12.449 -10.250 -3.224 1.00 0.89 C ATOM 435 O TYR A 28 -13.532 -10.289 -3.800 1.00 1.21 O ATOM 436 CB TYR A 28 -12.421 -12.278 -1.765 1.00 0.96 C ATOM 437 CG TYR A 28 -11.785 -13.604 -1.409 1.00 0.93 C ATOM 438 CD1 TYR A 28 -11.167 -14.376 -2.380 1.00 1.22 C ATOM 439 CD2 TYR A 28 -11.803 -14.082 -0.102 1.00 1.09 C ATOM 440 CE1 TYR A 28 -10.587 -15.589 -2.065 1.00 1.31 C ATOM 441 CE2 TYR A 28 -11.227 -15.294 0.220 1.00 1.13 C ATOM 442 CZ TYR A 28 -10.613 -16.033 -0.744 1.00 1.08 C ATOM 443 OH TYR A 28 -10.049 -17.253 -0.449 1.00 1.22 O ATOM 0 H TYR A 28 -10.053 -11.598 -1.591 1.00 0.70 H new ATOM 0 HA TYR A 28 -11.688 -12.156 -3.789 1.00 0.84 H new ATOM 0 HB2 TYR A 28 -12.441 -11.644 -0.879 1.00 0.96 H new ATOM 0 HB3 TYR A 28 -13.457 -12.448 -2.058 1.00 0.96 H new ATOM 0 HD1 TYR A 28 -11.139 -14.023 -3.400 1.00 1.22 H new ATOM 0 HD2 TYR A 28 -12.275 -13.495 0.672 1.00 1.09 H new ATOM 0 HE1 TYR A 28 -10.119 -16.187 -2.833 1.00 1.31 H new ATOM 0 HE2 TYR A 28 -11.263 -15.656 1.237 1.00 1.13 H new ATOM 0 HH TYR A 28 -9.314 -17.433 -1.072 1.00 1.22 H new ATOM 453 N SER A 29 -11.915 -9.117 -2.804 1.00 0.70 N ATOM 454 CA SER A 29 -12.421 -7.835 -3.258 1.00 0.71 C ATOM 455 C SER A 29 -11.370 -7.114 -4.094 1.00 0.59 C ATOM 456 O SER A 29 -11.659 -6.586 -5.166 1.00 0.61 O ATOM 457 CB SER A 29 -12.809 -6.973 -2.070 1.00 0.81 C ATOM 458 OG SER A 29 -13.538 -7.728 -1.120 1.00 1.03 O ATOM 0 H SER A 29 -11.133 -9.059 -2.151 1.00 0.70 H new ATOM 0 HA SER A 29 -13.303 -8.012 -3.874 1.00 0.71 H new ATOM 0 HB2 SER A 29 -11.913 -6.562 -1.605 1.00 0.81 H new ATOM 0 HB3 SER A 29 -13.409 -6.128 -2.408 1.00 0.81 H new ATOM 0 HG SER A 29 -14.268 -7.183 -0.759 1.00 1.03 H new ATOM 464 N ARG A 30 -10.137 -7.139 -3.592 1.00 0.54 N ATOM 465 CA ARG A 30 -9.025 -6.373 -4.146 1.00 0.52 C ATOM 466 C ARG A 30 -8.821 -6.655 -5.632 1.00 0.42 C ATOM 467 O ARG A 30 -8.545 -5.741 -6.406 1.00 0.40 O ATOM 468 CB ARG A 30 -7.747 -6.685 -3.350 1.00 0.58 C ATOM 469 CG ARG A 30 -6.516 -5.938 -3.818 1.00 0.86 C ATOM 470 CD ARG A 30 -6.199 -4.757 -2.918 1.00 1.15 C ATOM 471 NE ARG A 30 -7.287 -3.779 -2.870 1.00 1.84 N ATOM 472 CZ ARG A 30 -7.102 -2.472 -2.691 1.00 2.40 C ATOM 473 NH1 ARG A 30 -5.867 -1.979 -2.594 1.00 2.56 N ATOM 474 NH2 ARG A 30 -8.148 -1.659 -2.618 1.00 3.30 N ATOM 0 H ARG A 30 -9.880 -7.699 -2.779 1.00 0.54 H new ATOM 0 HA ARG A 30 -9.261 -5.313 -4.057 1.00 0.52 H new ATOM 0 HB2 ARG A 30 -7.922 -6.450 -2.300 1.00 0.58 H new ATOM 0 HB3 ARG A 30 -7.551 -7.756 -3.408 1.00 0.58 H new ATOM 0 HG2 ARG A 30 -5.664 -6.618 -3.840 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -6.670 -5.587 -4.838 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -5.995 -5.118 -1.910 1.00 1.15 H new ATOM 0 HD3 ARG A 30 -5.291 -4.268 -3.272 1.00 1.15 H new ATOM 0 HE ARG A 30 -8.243 -4.118 -2.980 1.00 1.84 H new ATOM 0 HH11 ARG A 30 -5.062 -2.603 -2.657 1.00 2.56 H new ATOM 0 HH12 ARG A 30 -5.727 -0.978 -2.457 1.00 2.56 H new ATOM 0 HH21 ARG A 30 -9.093 -2.035 -2.699 1.00 3.30 H new ATOM 0 HH22 ARG A 30 -8.007 -0.658 -2.481 1.00 3.30 H new ATOM 488 N ARG A 31 -8.998 -7.906 -6.030 1.00 0.42 N ATOM 489 CA ARG A 31 -8.791 -8.311 -7.415 1.00 0.45 C ATOM 490 C ARG A 31 -9.780 -7.609 -8.351 1.00 0.46 C ATOM 491 O ARG A 31 -9.505 -7.410 -9.535 1.00 0.57 O ATOM 492 CB ARG A 31 -8.936 -9.827 -7.532 1.00 0.57 C ATOM 493 CG ARG A 31 -8.653 -10.373 -8.918 1.00 0.83 C ATOM 494 CD ARG A 31 -8.677 -11.891 -8.931 1.00 1.22 C ATOM 495 NE ARG A 31 -7.701 -12.457 -8.004 1.00 1.73 N ATOM 496 CZ ARG A 31 -6.686 -13.233 -8.370 1.00 2.33 C ATOM 497 NH1 ARG A 31 -6.522 -13.569 -9.644 1.00 2.65 N ATOM 498 NH2 ARG A 31 -5.827 -13.664 -7.459 1.00 3.18 N ATOM 0 H ARG A 31 -9.286 -8.663 -5.410 1.00 0.42 H new ATOM 0 HA ARG A 31 -7.785 -8.018 -7.714 1.00 0.45 H new ATOM 0 HB2 ARG A 31 -8.259 -10.301 -6.822 1.00 0.57 H new ATOM 0 HB3 ARG A 31 -9.949 -10.107 -7.243 1.00 0.57 H new ATOM 0 HG2 ARG A 31 -9.394 -9.990 -9.620 1.00 0.83 H new ATOM 0 HG3 ARG A 31 -7.679 -10.020 -9.258 1.00 0.83 H new ATOM 0 HD2 ARG A 31 -9.675 -12.241 -8.667 1.00 1.22 H new ATOM 0 HD3 ARG A 31 -8.471 -12.249 -9.940 1.00 1.22 H new ATOM 0 HE ARG A 31 -7.805 -12.243 -7.012 1.00 1.73 H new ATOM 0 HH11 ARG A 31 -7.177 -13.231 -10.349 1.00 2.65 H new ATOM 0 HH12 ARG A 31 -5.741 -14.165 -9.918 1.00 2.65 H new ATOM 0 HH21 ARG A 31 -5.946 -13.400 -6.481 1.00 3.18 H new ATOM 0 HH22 ARG A 31 -5.047 -14.260 -7.735 1.00 3.18 H new ATOM 512 N PHE A 32 -10.922 -7.216 -7.807 1.00 0.45 N ATOM 513 CA PHE A 32 -11.964 -6.579 -8.602 1.00 0.49 C ATOM 514 C PHE A 32 -11.970 -5.076 -8.362 1.00 0.43 C ATOM 515 O PHE A 32 -12.758 -4.340 -8.957 1.00 0.49 O ATOM 516 CB PHE A 32 -13.330 -7.163 -8.242 1.00 0.59 C ATOM 517 CG PHE A 32 -13.312 -8.651 -8.071 1.00 0.98 C ATOM 518 CD1 PHE A 32 -13.280 -9.492 -9.170 1.00 1.54 C ATOM 519 CD2 PHE A 32 -13.315 -9.205 -6.805 1.00 1.11 C ATOM 520 CE1 PHE A 32 -13.252 -10.862 -9.007 1.00 2.18 C ATOM 521 CE2 PHE A 32 -13.285 -10.571 -6.636 1.00 1.68 C ATOM 522 CZ PHE A 32 -13.257 -11.404 -7.737 1.00 2.21 C ATOM 0 H PHE A 32 -11.152 -7.326 -6.819 1.00 0.45 H new ATOM 0 HA PHE A 32 -11.759 -6.768 -9.656 1.00 0.49 H new ATOM 0 HB2 PHE A 32 -13.682 -6.702 -7.319 1.00 0.59 H new ATOM 0 HB3 PHE A 32 -14.046 -6.903 -9.022 1.00 0.59 H new ATOM 0 HD1 PHE A 32 -13.277 -9.072 -10.165 1.00 1.54 H new ATOM 0 HD2 PHE A 32 -13.341 -8.560 -5.939 1.00 1.11 H new ATOM 0 HE1 PHE A 32 -13.226 -11.509 -9.871 1.00 2.18 H new ATOM 0 HE2 PHE A 32 -13.283 -10.992 -5.641 1.00 1.68 H new ATOM 0 HZ PHE A 32 -13.239 -12.476 -7.605 1.00 2.21 H new ATOM 532 N LEU A 33 -11.081 -4.621 -7.491 1.00 0.41 N ATOM 533 CA LEU A 33 -11.024 -3.214 -7.132 1.00 0.39 C ATOM 534 C LEU A 33 -10.048 -2.462 -8.034 1.00 0.30 C ATOM 535 O LEU A 33 -10.054 -1.232 -8.068 1.00 0.31 O ATOM 536 CB LEU A 33 -10.635 -3.047 -5.658 1.00 0.47 C ATOM 537 CG LEU A 33 -11.570 -3.720 -4.652 1.00 0.63 C ATOM 538 CD1 LEU A 33 -11.190 -3.337 -3.231 1.00 0.74 C ATOM 539 CD2 LEU A 33 -13.022 -3.362 -4.934 1.00 0.72 C ATOM 0 H LEU A 33 -10.390 -5.206 -7.021 1.00 0.41 H new ATOM 0 HA LEU A 33 -12.017 -2.787 -7.276 1.00 0.39 H new ATOM 0 HB2 LEU A 33 -9.630 -3.446 -5.518 1.00 0.47 H new ATOM 0 HB3 LEU A 33 -10.590 -1.982 -5.430 1.00 0.47 H new ATOM 0 HG LEU A 33 -11.462 -4.799 -4.759 1.00 0.63 H new ATOM 0 HD11 LEU A 33 -11.866 -3.825 -2.529 1.00 0.74 H new ATOM 0 HD12 LEU A 33 -10.167 -3.655 -3.030 1.00 0.74 H new ATOM 0 HD13 LEU A 33 -11.264 -2.256 -3.113 1.00 0.74 H new ATOM 0 HD21 LEU A 33 -13.666 -3.853 -4.205 1.00 0.72 H new ATOM 0 HD22 LEU A 33 -13.151 -2.282 -4.863 1.00 0.72 H new ATOM 0 HD23 LEU A 33 -13.290 -3.694 -5.937 1.00 0.72 H new ATOM 551 N GLU A 34 -9.219 -3.214 -8.766 1.00 0.27 N ATOM 552 CA GLU A 34 -8.260 -2.640 -9.721 1.00 0.25 C ATOM 553 C GLU A 34 -8.856 -1.540 -10.609 1.00 0.25 C ATOM 554 O GLU A 34 -8.306 -0.439 -10.664 1.00 0.26 O ATOM 555 CB GLU A 34 -7.677 -3.730 -10.621 1.00 0.28 C ATOM 556 CG GLU A 34 -6.504 -4.468 -10.016 1.00 0.35 C ATOM 557 CD GLU A 34 -5.861 -5.417 -11.000 1.00 0.48 C ATOM 558 OE1 GLU A 34 -5.157 -4.950 -11.920 1.00 0.71 O ATOM 559 OE2 GLU A 34 -6.037 -6.643 -10.845 1.00 0.65 O ATOM 0 H GLU A 34 -9.192 -4.232 -8.715 1.00 0.27 H new ATOM 0 HA GLU A 34 -7.481 -2.184 -9.110 1.00 0.25 H new ATOM 0 HB2 GLU A 34 -8.462 -4.449 -10.858 1.00 0.28 H new ATOM 0 HB3 GLU A 34 -7.363 -3.279 -11.562 1.00 0.28 H new ATOM 0 HG2 GLU A 34 -5.763 -3.748 -9.670 1.00 0.35 H new ATOM 0 HG3 GLU A 34 -6.839 -5.026 -9.141 1.00 0.35 H new ATOM 566 N PRO A 35 -9.979 -1.796 -11.318 1.00 0.28 N ATOM 567 CA PRO A 35 -10.539 -0.820 -12.256 1.00 0.33 C ATOM 568 C PRO A 35 -10.944 0.492 -11.584 1.00 0.32 C ATOM 569 O PRO A 35 -10.974 1.541 -12.226 1.00 0.36 O ATOM 570 CB PRO A 35 -11.768 -1.525 -12.842 1.00 0.41 C ATOM 571 CG PRO A 35 -12.085 -2.617 -11.882 1.00 0.54 C ATOM 572 CD PRO A 35 -10.771 -3.040 -11.297 1.00 0.30 C ATOM 0 HA PRO A 35 -9.803 -0.532 -13.007 1.00 0.33 H new ATOM 0 HB2 PRO A 35 -12.606 -0.835 -12.945 1.00 0.41 H new ATOM 0 HB3 PRO A 35 -11.558 -1.922 -13.835 1.00 0.41 H new ATOM 0 HG2 PRO A 35 -12.765 -2.269 -11.105 1.00 0.54 H new ATOM 0 HG3 PRO A 35 -12.575 -3.450 -12.385 1.00 0.54 H new ATOM 0 HD2 PRO A 35 -10.887 -3.427 -10.285 1.00 0.30 H new ATOM 0 HD3 PRO A 35 -10.301 -3.827 -11.888 1.00 0.30 H new ATOM 580 N PHE A 36 -11.255 0.427 -10.296 1.00 0.32 N ATOM 581 CA PHE A 36 -11.616 1.619 -9.540 1.00 0.36 C ATOM 582 C PHE A 36 -10.366 2.359 -9.086 1.00 0.34 C ATOM 583 O PHE A 36 -10.284 3.584 -9.177 1.00 0.37 O ATOM 584 CB PHE A 36 -12.475 1.251 -8.325 1.00 0.44 C ATOM 585 CG PHE A 36 -12.673 2.397 -7.372 1.00 0.51 C ATOM 586 CD1 PHE A 36 -13.543 3.430 -7.679 1.00 0.58 C ATOM 587 CD2 PHE A 36 -11.975 2.447 -6.174 1.00 0.57 C ATOM 588 CE1 PHE A 36 -13.714 4.491 -6.811 1.00 0.67 C ATOM 589 CE2 PHE A 36 -12.141 3.507 -5.304 1.00 0.67 C ATOM 590 CZ PHE A 36 -13.013 4.530 -5.623 1.00 0.72 C ATOM 0 H PHE A 36 -11.265 -0.437 -9.754 1.00 0.32 H new ATOM 0 HA PHE A 36 -12.196 2.271 -10.193 1.00 0.36 H new ATOM 0 HB2 PHE A 36 -13.448 0.900 -8.669 1.00 0.44 H new ATOM 0 HB3 PHE A 36 -12.007 0.422 -7.794 1.00 0.44 H new ATOM 0 HD1 PHE A 36 -14.094 3.406 -8.608 1.00 0.58 H new ATOM 0 HD2 PHE A 36 -11.294 1.648 -5.919 1.00 0.57 H new ATOM 0 HE1 PHE A 36 -14.396 5.290 -7.062 1.00 0.67 H new ATOM 0 HE2 PHE A 36 -11.590 3.536 -4.376 1.00 0.67 H new ATOM 0 HZ PHE A 36 -13.146 5.359 -4.944 1.00 0.72 H new ATOM 600 N LEU A 37 -9.396 1.598 -8.612 1.00 0.32 N ATOM 601 CA LEU A 37 -8.170 2.153 -8.066 1.00 0.34 C ATOM 602 C LEU A 37 -7.320 2.784 -9.157 1.00 0.30 C ATOM 603 O LEU A 37 -6.447 3.603 -8.879 1.00 0.31 O ATOM 604 CB LEU A 37 -7.398 1.054 -7.352 1.00 0.39 C ATOM 605 CG LEU A 37 -8.163 0.403 -6.201 1.00 0.47 C ATOM 606 CD1 LEU A 37 -7.594 -0.959 -5.892 1.00 1.04 C ATOM 607 CD2 LEU A 37 -8.114 1.276 -4.965 1.00 0.90 C ATOM 0 H LEU A 37 -9.436 0.579 -8.595 1.00 0.32 H new ATOM 0 HA LEU A 37 -8.424 2.939 -7.355 1.00 0.34 H new ATOM 0 HB2 LEU A 37 -7.128 0.285 -8.076 1.00 0.39 H new ATOM 0 HB3 LEU A 37 -6.467 1.470 -6.966 1.00 0.39 H new ATOM 0 HG LEU A 37 -9.203 0.289 -6.507 1.00 0.47 H new ATOM 0 HD11 LEU A 37 -8.151 -1.408 -5.070 1.00 1.04 H new ATOM 0 HD12 LEU A 37 -7.673 -1.595 -6.774 1.00 1.04 H new ATOM 0 HD13 LEU A 37 -6.546 -0.860 -5.609 1.00 1.04 H new ATOM 0 HD21 LEU A 37 -8.665 0.794 -4.157 1.00 0.90 H new ATOM 0 HD22 LEU A 37 -7.077 1.420 -4.662 1.00 0.90 H new ATOM 0 HD23 LEU A 37 -8.565 2.244 -5.185 1.00 0.90 H new ATOM 619 N ARG A 38 -7.583 2.397 -10.396 1.00 0.30 N ATOM 620 CA ARG A 38 -6.915 2.989 -11.536 1.00 0.34 C ATOM 621 C ARG A 38 -7.330 4.448 -11.688 1.00 0.34 C ATOM 622 O ARG A 38 -8.360 4.760 -12.291 1.00 0.43 O ATOM 623 CB ARG A 38 -7.240 2.205 -12.807 1.00 0.45 C ATOM 624 CG ARG A 38 -6.588 2.772 -14.057 1.00 0.56 C ATOM 625 CD ARG A 38 -6.791 1.851 -15.244 1.00 0.90 C ATOM 626 NE ARG A 38 -8.208 1.628 -15.539 1.00 1.91 N ATOM 627 CZ ARG A 38 -8.803 0.434 -15.467 1.00 2.44 C ATOM 628 NH1 ARG A 38 -8.130 -0.622 -15.021 1.00 2.16 N ATOM 629 NH2 ARG A 38 -10.080 0.303 -15.809 1.00 3.59 N ATOM 0 H ARG A 38 -8.259 1.671 -10.634 1.00 0.30 H new ATOM 0 HA ARG A 38 -5.838 2.949 -11.372 1.00 0.34 H new ATOM 0 HB2 ARG A 38 -6.920 1.171 -12.678 1.00 0.45 H new ATOM 0 HB3 ARG A 38 -8.321 2.189 -12.947 1.00 0.45 H new ATOM 0 HG2 ARG A 38 -7.009 3.753 -14.278 1.00 0.56 H new ATOM 0 HG3 ARG A 38 -5.522 2.915 -13.882 1.00 0.56 H new ATOM 0 HD2 ARG A 38 -6.303 2.278 -16.120 1.00 0.90 H new ATOM 0 HD3 ARG A 38 -6.309 0.894 -15.045 1.00 0.90 H new ATOM 0 HE ARG A 38 -8.773 2.431 -15.815 1.00 1.91 H new ATOM 0 HH11 ARG A 38 -7.157 -0.522 -14.733 1.00 2.16 H new ATOM 0 HH12 ARG A 38 -8.587 -1.532 -14.967 1.00 2.16 H new ATOM 0 HH21 ARG A 38 -10.609 1.115 -16.127 1.00 3.59 H new ATOM 0 HH22 ARG A 38 -10.532 -0.610 -15.753 1.00 3.59 H new ATOM 643 N GLY A 39 -6.529 5.331 -11.123 1.00 0.29 N ATOM 644 CA GLY A 39 -6.801 6.745 -11.194 1.00 0.29 C ATOM 645 C GLY A 39 -7.224 7.336 -9.863 1.00 0.28 C ATOM 646 O GLY A 39 -7.860 8.390 -9.830 1.00 0.38 O ATOM 0 H GLY A 39 -5.682 5.088 -10.609 1.00 0.29 H new ATOM 0 HA2 GLY A 39 -5.910 7.263 -11.548 1.00 0.29 H new ATOM 0 HA3 GLY A 39 -7.586 6.922 -11.929 1.00 0.29 H new ATOM 650 N ILE A 40 -6.872 6.684 -8.754 1.00 0.26 N ATOM 651 CA ILE A 40 -7.209 7.242 -7.440 1.00 0.25 C ATOM 652 C ILE A 40 -6.040 8.049 -6.903 1.00 0.26 C ATOM 653 O ILE A 40 -4.911 7.918 -7.382 1.00 0.32 O ATOM 654 CB ILE A 40 -7.614 6.186 -6.368 1.00 0.23 C ATOM 655 CG1 ILE A 40 -6.482 5.186 -6.113 1.00 0.21 C ATOM 656 CG2 ILE A 40 -8.894 5.466 -6.769 1.00 0.24 C ATOM 657 CD1 ILE A 40 -6.660 4.357 -4.852 1.00 0.23 C ATOM 0 H ILE A 40 -6.369 5.797 -8.734 1.00 0.26 H new ATOM 0 HA ILE A 40 -8.086 7.866 -7.613 1.00 0.25 H new ATOM 0 HB ILE A 40 -7.802 6.718 -5.436 1.00 0.23 H new ATOM 0 HG12 ILE A 40 -6.405 4.515 -6.968 1.00 0.21 H new ATOM 0 HG13 ILE A 40 -5.539 5.729 -6.048 1.00 0.21 H new ATOM 0 HG21 ILE A 40 -9.155 4.734 -6.004 1.00 0.24 H new ATOM 0 HG22 ILE A 40 -9.703 6.190 -6.869 1.00 0.24 H new ATOM 0 HG23 ILE A 40 -8.742 4.957 -7.721 1.00 0.24 H new ATOM 0 HD11 ILE A 40 -5.817 3.674 -4.743 1.00 0.23 H new ATOM 0 HD12 ILE A 40 -6.706 5.017 -3.986 1.00 0.23 H new ATOM 0 HD13 ILE A 40 -7.585 3.784 -4.921 1.00 0.23 H new ATOM 669 N ASN A 41 -6.310 8.895 -5.924 1.00 0.31 N ATOM 670 CA ASN A 41 -5.259 9.643 -5.264 1.00 0.33 C ATOM 671 C ASN A 41 -5.217 9.235 -3.806 1.00 0.32 C ATOM 672 O ASN A 41 -6.253 9.187 -3.136 1.00 0.40 O ATOM 673 CB ASN A 41 -5.466 11.161 -5.404 1.00 0.43 C ATOM 674 CG ASN A 41 -6.681 11.690 -4.657 1.00 1.11 C ATOM 675 OD1 ASN A 41 -7.792 11.691 -5.181 1.00 1.99 O ATOM 676 ND2 ASN A 41 -6.471 12.166 -3.437 1.00 1.65 N ATOM 0 H ASN A 41 -7.249 9.080 -5.570 1.00 0.31 H new ATOM 0 HA ASN A 41 -4.306 9.413 -5.741 1.00 0.33 H new ATOM 0 HB2 ASN A 41 -4.576 11.674 -5.039 1.00 0.43 H new ATOM 0 HB3 ASN A 41 -5.566 11.408 -6.461 1.00 0.43 H new ATOM 0 HD21 ASN A 41 -7.247 12.551 -2.899 1.00 1.65 H new ATOM 0 HD22 ASN A 41 -5.533 12.147 -3.037 1.00 1.65 H new ATOM 683 N VAL A 42 -4.040 8.903 -3.318 1.00 0.29 N ATOM 684 CA VAL A 42 -3.911 8.436 -1.957 1.00 0.31 C ATOM 685 C VAL A 42 -2.986 9.335 -1.176 1.00 0.23 C ATOM 686 O VAL A 42 -1.926 9.724 -1.665 1.00 0.23 O ATOM 687 CB VAL A 42 -3.385 6.982 -1.882 1.00 0.39 C ATOM 688 CG1 VAL A 42 -4.425 6.006 -2.399 1.00 0.66 C ATOM 689 CG2 VAL A 42 -2.081 6.829 -2.653 1.00 0.93 C ATOM 0 H VAL A 42 -3.165 8.948 -3.841 1.00 0.29 H new ATOM 0 HA VAL A 42 -4.910 8.459 -1.522 1.00 0.31 H new ATOM 0 HB VAL A 42 -3.188 6.753 -0.835 1.00 0.39 H new ATOM 0 HG11 VAL A 42 -4.034 4.991 -2.337 1.00 0.66 H new ATOM 0 HG12 VAL A 42 -5.329 6.084 -1.795 1.00 0.66 H new ATOM 0 HG13 VAL A 42 -4.660 6.241 -3.437 1.00 0.66 H new ATOM 0 HG21 VAL A 42 -1.736 5.798 -2.583 1.00 0.93 H new ATOM 0 HG22 VAL A 42 -2.245 7.086 -3.699 1.00 0.93 H new ATOM 0 HG23 VAL A 42 -1.328 7.494 -2.230 1.00 0.93 H new ATOM 699 N VAL A 43 -3.397 9.690 0.021 1.00 0.21 N ATOM 700 CA VAL A 43 -2.518 10.383 0.926 1.00 0.19 C ATOM 701 C VAL A 43 -1.760 9.338 1.713 1.00 0.21 C ATOM 702 O VAL A 43 -2.298 8.717 2.632 1.00 0.24 O ATOM 703 CB VAL A 43 -3.292 11.310 1.886 1.00 0.22 C ATOM 704 CG1 VAL A 43 -2.330 12.082 2.778 1.00 0.22 C ATOM 705 CG2 VAL A 43 -4.186 12.264 1.107 1.00 0.25 C ATOM 0 H VAL A 43 -4.332 9.509 0.386 1.00 0.21 H new ATOM 0 HA VAL A 43 -1.840 11.018 0.355 1.00 0.19 H new ATOM 0 HB VAL A 43 -3.926 10.692 2.522 1.00 0.22 H new ATOM 0 HG11 VAL A 43 -2.895 12.730 3.448 1.00 0.22 H new ATOM 0 HG12 VAL A 43 -1.737 11.381 3.366 1.00 0.22 H new ATOM 0 HG13 VAL A 43 -1.668 12.688 2.160 1.00 0.22 H new ATOM 0 HG21 VAL A 43 -4.723 12.909 1.802 1.00 0.25 H new ATOM 0 HG22 VAL A 43 -3.575 12.875 0.443 1.00 0.25 H new ATOM 0 HG23 VAL A 43 -4.902 11.692 0.517 1.00 0.25 H new ATOM 715 N TYR A 44 -0.519 9.123 1.339 1.00 0.22 N ATOM 716 CA TYR A 44 0.262 8.081 1.956 1.00 0.26 C ATOM 717 C TYR A 44 0.838 8.581 3.261 1.00 0.31 C ATOM 718 O TYR A 44 1.625 9.527 3.277 1.00 0.37 O ATOM 719 CB TYR A 44 1.377 7.609 1.023 1.00 0.31 C ATOM 720 CG TYR A 44 1.951 6.271 1.421 1.00 0.52 C ATOM 721 CD1 TYR A 44 1.233 5.104 1.198 1.00 0.36 C ATOM 722 CD2 TYR A 44 3.197 6.169 2.026 1.00 1.24 C ATOM 723 CE1 TYR A 44 1.740 3.875 1.562 1.00 0.71 C ATOM 724 CE2 TYR A 44 3.711 4.940 2.394 1.00 1.69 C ATOM 725 CZ TYR A 44 2.979 3.798 2.160 1.00 1.41 C ATOM 726 OH TYR A 44 3.486 2.575 2.530 1.00 1.85 O ATOM 0 H TYR A 44 -0.033 9.653 0.615 1.00 0.22 H new ATOM 0 HA TYR A 44 -0.388 7.229 2.156 1.00 0.26 H new ATOM 0 HB2 TYR A 44 0.990 7.544 0.006 1.00 0.31 H new ATOM 0 HB3 TYR A 44 2.174 8.352 1.013 1.00 0.31 H new ATOM 0 HD1 TYR A 44 0.261 5.160 0.731 1.00 0.36 H new ATOM 0 HD2 TYR A 44 3.773 7.064 2.212 1.00 1.24 H new ATOM 0 HE1 TYR A 44 1.169 2.977 1.379 1.00 0.71 H new ATOM 0 HE2 TYR A 44 4.682 4.876 2.863 1.00 1.69 H new ATOM 0 HH TYR A 44 4.369 2.697 2.937 1.00 1.85 H new ATOM 736 N THR A 45 0.416 7.970 4.354 1.00 0.32 N ATOM 737 CA THR A 45 0.911 8.338 5.660 1.00 0.39 C ATOM 738 C THR A 45 2.069 7.427 6.032 1.00 0.41 C ATOM 739 O THR A 45 1.867 6.263 6.389 1.00 0.44 O ATOM 740 CB THR A 45 -0.198 8.240 6.722 1.00 0.47 C ATOM 741 OG1 THR A 45 -1.360 8.944 6.266 1.00 1.27 O ATOM 742 CG2 THR A 45 0.263 8.825 8.049 1.00 0.96 C ATOM 0 H THR A 45 -0.270 7.215 4.358 1.00 0.32 H new ATOM 0 HA THR A 45 1.251 9.373 5.625 1.00 0.39 H new ATOM 0 HB THR A 45 -0.437 7.187 6.875 1.00 0.47 H new ATOM 0 HG1 THR A 45 -2.067 8.880 6.941 1.00 1.27 H new ATOM 0 HG21 THR A 45 -0.540 8.743 8.781 1.00 0.96 H new ATOM 0 HG22 THR A 45 1.136 8.277 8.404 1.00 0.96 H new ATOM 0 HG23 THR A 45 0.524 9.875 7.913 1.00 0.96 H new ATOM 750 N PRO A 46 3.297 7.945 5.944 1.00 0.45 N ATOM 751 CA PRO A 46 4.496 7.167 6.196 1.00 0.51 C ATOM 752 C PRO A 46 4.708 6.935 7.682 1.00 0.52 C ATOM 753 O PRO A 46 4.634 7.872 8.479 1.00 0.57 O ATOM 754 CB PRO A 46 5.631 8.033 5.620 1.00 0.56 C ATOM 755 CG PRO A 46 4.973 9.217 4.986 1.00 0.58 C ATOM 756 CD PRO A 46 3.617 9.337 5.616 1.00 0.51 C ATOM 0 HA PRO A 46 4.443 6.176 5.745 1.00 0.51 H new ATOM 0 HB2 PRO A 46 6.320 8.345 6.405 1.00 0.56 H new ATOM 0 HB3 PRO A 46 6.214 7.474 4.888 1.00 0.56 H new ATOM 0 HG2 PRO A 46 5.559 10.121 5.151 1.00 0.58 H new ATOM 0 HG3 PRO A 46 4.890 9.083 3.907 1.00 0.58 H new ATOM 0 HD2 PRO A 46 3.636 9.969 6.504 1.00 0.51 H new ATOM 0 HD3 PRO A 46 2.888 9.771 4.931 1.00 0.51 H new ATOM 764 N PRO A 47 4.948 5.672 8.071 1.00 0.60 N ATOM 765 CA PRO A 47 5.282 5.317 9.448 1.00 0.68 C ATOM 766 C PRO A 47 6.374 6.223 9.990 1.00 0.62 C ATOM 767 O PRO A 47 7.308 6.564 9.267 1.00 0.56 O ATOM 768 CB PRO A 47 5.792 3.884 9.321 1.00 0.82 C ATOM 769 CG PRO A 47 5.070 3.337 8.141 1.00 0.86 C ATOM 770 CD PRO A 47 4.901 4.491 7.191 1.00 0.73 C ATOM 0 HA PRO A 47 4.439 5.419 10.132 1.00 0.68 H new ATOM 0 HB2 PRO A 47 6.872 3.858 9.173 1.00 0.82 H new ATOM 0 HB3 PRO A 47 5.579 3.306 10.220 1.00 0.82 H new ATOM 0 HG2 PRO A 47 5.635 2.529 7.677 1.00 0.86 H new ATOM 0 HG3 PRO A 47 4.104 2.925 8.431 1.00 0.86 H new ATOM 0 HD2 PRO A 47 5.695 4.515 6.444 1.00 0.73 H new ATOM 0 HD3 PRO A 47 3.956 4.431 6.651 1.00 0.73 H new ATOM 778 N GLN A 48 6.255 6.600 11.259 1.00 0.73 N ATOM 779 CA GLN A 48 7.135 7.599 11.876 1.00 0.79 C ATOM 780 C GLN A 48 8.620 7.244 11.762 1.00 0.67 C ATOM 781 O GLN A 48 9.484 8.093 11.985 1.00 0.73 O ATOM 782 CB GLN A 48 6.737 7.819 13.344 1.00 1.03 C ATOM 783 CG GLN A 48 6.511 6.540 14.149 1.00 0.91 C ATOM 784 CD GLN A 48 7.791 5.822 14.532 1.00 1.24 C ATOM 785 OE1 GLN A 48 7.816 4.596 14.635 1.00 1.91 O ATOM 786 NE2 GLN A 48 8.852 6.576 14.776 1.00 1.84 N ATOM 0 H GLN A 48 5.548 6.225 11.892 1.00 0.73 H new ATOM 0 HA GLN A 48 7.001 8.527 11.321 1.00 0.79 H new ATOM 0 HB2 GLN A 48 7.516 8.405 13.832 1.00 1.03 H new ATOM 0 HB3 GLN A 48 5.825 8.415 13.372 1.00 1.03 H new ATOM 0 HG2 GLN A 48 5.958 6.786 15.056 1.00 0.91 H new ATOM 0 HG3 GLN A 48 5.885 5.862 13.568 1.00 0.91 H new ATOM 0 HE21 GLN A 48 8.791 7.590 14.679 1.00 1.84 H new ATOM 0 HE22 GLN A 48 9.731 6.143 15.061 1.00 1.84 H new ATOM 795 N SER A 49 8.907 6.001 11.401 1.00 0.60 N ATOM 796 CA SER A 49 10.276 5.535 11.246 1.00 0.59 C ATOM 797 C SER A 49 10.863 5.996 9.903 1.00 0.62 C ATOM 798 O SER A 49 12.051 5.814 9.640 1.00 0.71 O ATOM 799 CB SER A 49 10.301 4.007 11.343 1.00 0.71 C ATOM 800 OG SER A 49 11.617 3.514 11.516 1.00 1.55 O ATOM 0 H SER A 49 8.200 5.291 11.208 1.00 0.60 H new ATOM 0 HA SER A 49 10.889 5.961 12.041 1.00 0.59 H new ATOM 0 HB2 SER A 49 9.679 3.685 12.179 1.00 0.71 H new ATOM 0 HB3 SER A 49 9.868 3.578 10.440 1.00 0.71 H new ATOM 0 HG SER A 49 12.239 4.045 10.976 1.00 1.55 H new ATOM 806 N PHE A 50 10.027 6.588 9.051 1.00 0.62 N ATOM 807 CA PHE A 50 10.473 7.063 7.742 1.00 0.66 C ATOM 808 C PHE A 50 10.790 8.555 7.760 1.00 0.67 C ATOM 809 O PHE A 50 11.316 9.098 6.786 1.00 0.79 O ATOM 810 CB PHE A 50 9.416 6.781 6.673 1.00 0.69 C ATOM 811 CG PHE A 50 9.338 5.342 6.254 1.00 0.71 C ATOM 812 CD1 PHE A 50 8.596 4.440 6.996 1.00 0.80 C ATOM 813 CD2 PHE A 50 10.008 4.891 5.129 1.00 0.91 C ATOM 814 CE1 PHE A 50 8.521 3.112 6.624 1.00 0.89 C ATOM 815 CE2 PHE A 50 9.936 3.565 4.752 1.00 1.01 C ATOM 816 CZ PHE A 50 9.194 2.687 5.457 1.00 0.93 C ATOM 0 H PHE A 50 9.038 6.750 9.243 1.00 0.62 H new ATOM 0 HA PHE A 50 11.387 6.520 7.501 1.00 0.66 H new ATOM 0 HB2 PHE A 50 8.442 7.092 7.050 1.00 0.69 H new ATOM 0 HB3 PHE A 50 9.629 7.393 5.796 1.00 0.69 H new ATOM 0 HD1 PHE A 50 8.069 4.778 7.876 1.00 0.80 H new ATOM 0 HD2 PHE A 50 10.592 5.583 4.541 1.00 0.91 H new ATOM 0 HE1 PHE A 50 7.956 2.408 7.217 1.00 0.89 H new ATOM 0 HE2 PHE A 50 10.480 3.227 3.883 1.00 1.01 H new ATOM 0 HZ PHE A 50 9.114 1.661 5.130 1.00 0.93 H new ATOM 826 N GLN A 51 10.445 9.211 8.873 1.00 0.62 N ATOM 827 CA GLN A 51 10.695 10.642 9.065 1.00 0.70 C ATOM 828 C GLN A 51 10.087 11.479 7.938 1.00 0.62 C ATOM 829 O GLN A 51 10.609 12.536 7.584 1.00 0.72 O ATOM 830 CB GLN A 51 12.198 10.898 9.159 1.00 0.93 C ATOM 831 CG GLN A 51 12.882 10.070 10.232 1.00 1.08 C ATOM 832 CD GLN A 51 14.382 10.274 10.250 1.00 1.45 C ATOM 833 OE1 GLN A 51 14.882 11.343 9.898 1.00 1.53 O ATOM 834 NE2 GLN A 51 15.112 9.248 10.653 1.00 2.20 N ATOM 0 H GLN A 51 9.985 8.764 9.666 1.00 0.62 H new ATOM 0 HA GLN A 51 10.215 10.944 9.996 1.00 0.70 H new ATOM 0 HB2 GLN A 51 12.657 10.681 8.195 1.00 0.93 H new ATOM 0 HB3 GLN A 51 12.367 11.955 9.363 1.00 0.93 H new ATOM 0 HG2 GLN A 51 12.471 10.332 11.207 1.00 1.08 H new ATOM 0 HG3 GLN A 51 12.664 9.015 10.067 1.00 1.08 H new ATOM 0 HE21 GLN A 51 14.658 8.379 10.936 1.00 2.20 H new ATOM 0 HE22 GLN A 51 16.129 9.325 10.680 1.00 2.20 H new ATOM 843 N SER A 52 8.975 11.012 7.394 1.00 0.51 N ATOM 844 CA SER A 52 8.354 11.655 6.248 1.00 0.50 C ATOM 845 C SER A 52 6.968 12.192 6.597 1.00 0.48 C ATOM 846 O SER A 52 6.416 11.887 7.655 1.00 0.54 O ATOM 847 CB SER A 52 8.259 10.657 5.096 1.00 0.53 C ATOM 848 OG SER A 52 9.532 10.104 4.796 1.00 1.18 O ATOM 0 H SER A 52 8.482 10.185 7.730 1.00 0.51 H new ATOM 0 HA SER A 52 8.972 12.502 5.949 1.00 0.50 H new ATOM 0 HB2 SER A 52 7.564 9.859 5.358 1.00 0.53 H new ATOM 0 HB3 SER A 52 7.857 11.153 4.213 1.00 0.53 H new ATOM 0 HG SER A 52 9.903 9.682 5.599 1.00 1.18 H new ATOM 854 N ALA A 53 6.418 12.997 5.699 1.00 0.54 N ATOM 855 CA ALA A 53 5.100 13.584 5.880 1.00 0.60 C ATOM 856 C ALA A 53 4.131 13.017 4.846 1.00 0.51 C ATOM 857 O ALA A 53 4.561 12.551 3.788 1.00 0.50 O ATOM 858 CB ALA A 53 5.189 15.100 5.759 1.00 0.80 C ATOM 0 H ALA A 53 6.873 13.261 4.825 1.00 0.54 H new ATOM 0 HA ALA A 53 4.728 13.336 6.874 1.00 0.60 H new ATOM 0 HB1 ALA A 53 4.199 15.535 5.895 1.00 0.80 H new ATOM 0 HB2 ALA A 53 5.864 15.487 6.523 1.00 0.80 H new ATOM 0 HB3 ALA A 53 5.569 15.365 4.772 1.00 0.80 H new ATOM 864 N PRO A 54 2.818 13.027 5.145 1.00 0.50 N ATOM 865 CA PRO A 54 1.791 12.520 4.225 1.00 0.43 C ATOM 866 C PRO A 54 1.853 13.193 2.856 1.00 0.38 C ATOM 867 O PRO A 54 1.907 14.421 2.755 1.00 0.41 O ATOM 868 CB PRO A 54 0.475 12.863 4.925 1.00 0.47 C ATOM 869 CG PRO A 54 0.826 12.981 6.366 1.00 0.63 C ATOM 870 CD PRO A 54 2.231 13.517 6.406 1.00 0.57 C ATOM 0 HA PRO A 54 1.918 11.456 4.028 1.00 0.43 H new ATOM 0 HB2 PRO A 54 0.056 13.794 4.543 1.00 0.47 H new ATOM 0 HB3 PRO A 54 -0.273 12.086 4.763 1.00 0.47 H new ATOM 0 HG2 PRO A 54 0.138 13.650 6.882 1.00 0.63 H new ATOM 0 HG3 PRO A 54 0.763 12.013 6.864 1.00 0.63 H new ATOM 0 HD2 PRO A 54 2.245 14.606 6.460 1.00 0.57 H new ATOM 0 HD3 PRO A 54 2.778 13.148 7.274 1.00 0.57 H new ATOM 878 N ARG A 55 1.832 12.382 1.808 1.00 0.37 N ATOM 879 CA ARG A 55 1.964 12.884 0.447 1.00 0.40 C ATOM 880 C ARG A 55 1.010 12.148 -0.488 1.00 0.31 C ATOM 881 O ARG A 55 0.762 10.952 -0.320 1.00 0.31 O ATOM 882 CB ARG A 55 3.419 12.742 -0.021 1.00 0.60 C ATOM 883 CG ARG A 55 3.957 11.320 0.057 1.00 1.07 C ATOM 884 CD ARG A 55 5.470 11.298 0.220 1.00 1.04 C ATOM 885 NE ARG A 55 6.163 11.988 -0.867 1.00 1.50 N ATOM 886 CZ ARG A 55 7.456 12.322 -0.837 1.00 1.68 C ATOM 887 NH1 ARG A 55 8.221 11.962 0.190 1.00 1.47 N ATOM 888 NH2 ARG A 55 7.992 12.986 -1.851 1.00 2.51 N ATOM 0 H ARG A 55 1.724 11.370 1.874 1.00 0.37 H new ATOM 0 HA ARG A 55 1.698 13.941 0.428 1.00 0.40 H new ATOM 0 HB2 ARG A 55 3.495 13.093 -1.050 1.00 0.60 H new ATOM 0 HB3 ARG A 55 4.050 13.392 0.585 1.00 0.60 H new ATOM 0 HG2 ARG A 55 3.493 10.801 0.896 1.00 1.07 H new ATOM 0 HG3 ARG A 55 3.680 10.776 -0.846 1.00 1.07 H new ATOM 0 HD2 ARG A 55 5.736 11.764 1.169 1.00 1.04 H new ATOM 0 HD3 ARG A 55 5.812 10.264 0.265 1.00 1.04 H new ATOM 0 HE ARG A 55 5.626 12.229 -1.700 1.00 1.50 H new ATOM 0 HH11 ARG A 55 7.821 11.427 0.961 1.00 1.47 H new ATOM 0 HH12 ARG A 55 9.208 12.220 0.206 1.00 1.47 H new ATOM 0 HH21 ARG A 55 7.417 13.242 -2.654 1.00 2.51 H new ATOM 0 HH22 ARG A 55 8.979 13.241 -1.829 1.00 2.51 H new ATOM 902 N VAL A 56 0.467 12.869 -1.460 1.00 0.35 N ATOM 903 CA VAL A 56 -0.526 12.309 -2.369 1.00 0.35 C ATOM 904 C VAL A 56 0.141 11.629 -3.560 1.00 0.38 C ATOM 905 O VAL A 56 1.079 12.170 -4.145 1.00 0.53 O ATOM 906 CB VAL A 56 -1.496 13.398 -2.883 1.00 0.49 C ATOM 907 CG1 VAL A 56 -2.521 12.809 -3.843 1.00 1.13 C ATOM 908 CG2 VAL A 56 -2.192 14.085 -1.720 1.00 1.25 C ATOM 0 H VAL A 56 0.698 13.846 -1.640 1.00 0.35 H new ATOM 0 HA VAL A 56 -1.092 11.568 -1.804 1.00 0.35 H new ATOM 0 HB VAL A 56 -0.911 14.140 -3.426 1.00 0.49 H new ATOM 0 HG11 VAL A 56 -3.190 13.597 -4.189 1.00 1.13 H new ATOM 0 HG12 VAL A 56 -2.008 12.368 -4.697 1.00 1.13 H new ATOM 0 HG13 VAL A 56 -3.100 12.040 -3.331 1.00 1.13 H new ATOM 0 HG21 VAL A 56 -2.870 14.848 -2.101 1.00 1.25 H new ATOM 0 HG22 VAL A 56 -2.758 13.349 -1.149 1.00 1.25 H new ATOM 0 HG23 VAL A 56 -1.448 14.551 -1.075 1.00 1.25 H new ATOM 918 N TYR A 57 -0.346 10.446 -3.916 1.00 0.30 N ATOM 919 CA TYR A 57 0.171 9.721 -5.066 1.00 0.33 C ATOM 920 C TYR A 57 -0.962 9.300 -5.983 1.00 0.29 C ATOM 921 O TYR A 57 -2.077 9.037 -5.525 1.00 0.25 O ATOM 922 CB TYR A 57 0.965 8.486 -4.630 1.00 0.36 C ATOM 923 CG TYR A 57 2.372 8.790 -4.165 1.00 0.47 C ATOM 924 CD1 TYR A 57 3.314 9.336 -5.031 1.00 0.70 C ATOM 925 CD2 TYR A 57 2.756 8.536 -2.855 1.00 0.46 C ATOM 926 CE1 TYR A 57 4.597 9.619 -4.602 1.00 0.82 C ATOM 927 CE2 TYR A 57 4.037 8.816 -2.420 1.00 0.56 C ATOM 928 CZ TYR A 57 4.966 9.341 -3.324 1.00 0.70 C ATOM 929 OH TYR A 57 6.229 9.634 -2.860 1.00 0.83 O ATOM 0 H TYR A 57 -1.100 9.969 -3.422 1.00 0.30 H new ATOM 0 HA TYR A 57 0.840 10.392 -5.606 1.00 0.33 H new ATOM 0 HB2 TYR A 57 0.427 7.987 -3.824 1.00 0.36 H new ATOM 0 HB3 TYR A 57 1.013 7.785 -5.463 1.00 0.36 H new ATOM 0 HD1 TYR A 57 3.038 9.542 -6.055 1.00 0.70 H new ATOM 0 HD2 TYR A 57 2.041 8.113 -2.165 1.00 0.46 H new ATOM 0 HE1 TYR A 57 5.308 10.062 -5.284 1.00 0.82 H new ATOM 0 HE2 TYR A 57 4.318 8.632 -1.394 1.00 0.56 H new ATOM 0 HH TYR A 57 6.760 8.812 -2.816 1.00 0.83 H new ATOM 939 N ARG A 58 -0.676 9.255 -7.276 1.00 0.36 N ATOM 940 CA ARG A 58 -1.640 8.787 -8.256 1.00 0.34 C ATOM 941 C ARG A 58 -1.514 7.279 -8.407 1.00 0.32 C ATOM 942 O ARG A 58 -0.454 6.766 -8.763 1.00 0.39 O ATOM 943 CB ARG A 58 -1.418 9.479 -9.603 1.00 0.41 C ATOM 944 CG ARG A 58 -2.453 9.117 -10.660 1.00 0.47 C ATOM 945 CD ARG A 58 -3.852 9.551 -10.250 1.00 1.05 C ATOM 946 NE ARG A 58 -3.927 10.988 -9.999 1.00 1.91 N ATOM 947 CZ ARG A 58 -5.032 11.623 -9.613 1.00 2.95 C ATOM 948 NH1 ARG A 58 -6.171 10.957 -9.467 1.00 3.38 N ATOM 949 NH2 ARG A 58 -4.995 12.930 -9.382 1.00 3.81 N ATOM 0 H ARG A 58 0.221 9.539 -7.670 1.00 0.36 H new ATOM 0 HA ARG A 58 -2.645 9.032 -7.913 1.00 0.34 H new ATOM 0 HB2 ARG A 58 -1.429 10.558 -9.452 1.00 0.41 H new ATOM 0 HB3 ARG A 58 -0.427 9.219 -9.975 1.00 0.41 H new ATOM 0 HG2 ARG A 58 -2.188 9.590 -11.606 1.00 0.47 H new ATOM 0 HG3 ARG A 58 -2.441 8.040 -10.828 1.00 0.47 H new ATOM 0 HD2 ARG A 58 -4.559 9.282 -11.035 1.00 1.05 H new ATOM 0 HD3 ARG A 58 -4.151 9.010 -9.352 1.00 1.05 H new ATOM 0 HE ARG A 58 -3.079 11.540 -10.128 1.00 1.91 H new ATOM 0 HH11 ARG A 58 -6.203 9.954 -9.651 1.00 3.38 H new ATOM 0 HH12 ARG A 58 -7.015 11.448 -9.171 1.00 3.38 H new ATOM 0 HH21 ARG A 58 -4.122 13.444 -9.500 1.00 3.81 H new ATOM 0 HH22 ARG A 58 -5.839 13.420 -9.086 1.00 3.81 H new ATOM 963 N VAL A 59 -2.591 6.578 -8.111 1.00 0.29 N ATOM 964 CA VAL A 59 -2.602 5.128 -8.159 1.00 0.27 C ATOM 965 C VAL A 59 -3.151 4.643 -9.487 1.00 0.27 C ATOM 966 O VAL A 59 -4.225 5.076 -9.911 1.00 0.29 O ATOM 967 CB VAL A 59 -3.455 4.551 -7.020 1.00 0.23 C ATOM 968 CG1 VAL A 59 -3.392 3.035 -7.010 1.00 0.25 C ATOM 969 CG2 VAL A 59 -3.014 5.126 -5.685 1.00 0.24 C ATOM 0 H VAL A 59 -3.479 6.994 -7.832 1.00 0.29 H new ATOM 0 HA VAL A 59 -1.574 4.785 -8.045 1.00 0.27 H new ATOM 0 HB VAL A 59 -4.493 4.837 -7.188 1.00 0.23 H new ATOM 0 HG11 VAL A 59 -4.004 2.651 -6.194 1.00 0.25 H new ATOM 0 HG12 VAL A 59 -3.767 2.649 -7.958 1.00 0.25 H new ATOM 0 HG13 VAL A 59 -2.359 2.715 -6.871 1.00 0.25 H new ATOM 0 HG21 VAL A 59 -3.628 4.707 -4.888 1.00 0.24 H new ATOM 0 HG22 VAL A 59 -1.968 4.874 -5.508 1.00 0.24 H new ATOM 0 HG23 VAL A 59 -3.129 6.210 -5.700 1.00 0.24 H new ATOM 979 N ASN A 60 -2.414 3.742 -10.126 1.00 0.28 N ATOM 980 CA ASN A 60 -2.777 3.232 -11.442 1.00 0.32 C ATOM 981 C ASN A 60 -3.398 1.845 -11.348 1.00 0.35 C ATOM 982 O ASN A 60 -4.082 1.402 -12.272 1.00 0.46 O ATOM 983 CB ASN A 60 -1.547 3.181 -12.353 1.00 0.39 C ATOM 984 CG ASN A 60 -0.985 4.556 -12.657 1.00 1.24 C ATOM 985 OD1 ASN A 60 -1.719 5.541 -12.730 1.00 1.61 O ATOM 986 ND2 ASN A 60 0.325 4.634 -12.833 1.00 2.10 N ATOM 0 H ASN A 60 -1.553 3.346 -9.749 1.00 0.28 H new ATOM 0 HA ASN A 60 -3.515 3.913 -11.866 1.00 0.32 H new ATOM 0 HB2 ASN A 60 -0.775 2.574 -11.880 1.00 0.39 H new ATOM 0 HB3 ASN A 60 -1.813 2.687 -13.288 1.00 0.39 H new ATOM 0 HD21 ASN A 60 0.759 5.534 -13.037 1.00 2.10 H new ATOM 0 HD22 ASN A 60 0.900 3.794 -12.764 1.00 2.10 H new ATOM 993 N GLY A 61 -3.160 1.154 -10.242 1.00 0.29 N ATOM 994 CA GLY A 61 -3.738 -0.163 -10.073 1.00 0.35 C ATOM 995 C GLY A 61 -3.235 -0.882 -8.839 1.00 0.30 C ATOM 996 O GLY A 61 -3.089 -0.283 -7.773 1.00 0.24 O ATOM 0 H GLY A 61 -2.583 1.478 -9.466 1.00 0.29 H new ATOM 0 HA2 GLY A 61 -4.823 -0.072 -10.016 1.00 0.35 H new ATOM 0 HA3 GLY A 61 -3.515 -0.766 -10.953 1.00 0.35 H new ATOM 1000 N LEU A 62 -2.951 -2.168 -8.997 1.00 0.40 N ATOM 1001 CA LEU A 62 -2.588 -3.033 -7.883 1.00 0.37 C ATOM 1002 C LEU A 62 -1.500 -4.016 -8.280 1.00 0.40 C ATOM 1003 O LEU A 62 -1.226 -4.212 -9.466 1.00 0.46 O ATOM 1004 CB LEU A 62 -3.804 -3.819 -7.410 1.00 0.36 C ATOM 1005 CG LEU A 62 -4.885 -2.991 -6.735 1.00 0.36 C ATOM 1006 CD1 LEU A 62 -6.086 -3.857 -6.432 1.00 0.41 C ATOM 1007 CD2 LEU A 62 -4.350 -2.370 -5.457 1.00 0.42 C ATOM 0 H LEU A 62 -2.966 -2.641 -9.901 1.00 0.40 H new ATOM 0 HA LEU A 62 -2.217 -2.395 -7.081 1.00 0.37 H new ATOM 0 HB2 LEU A 62 -4.242 -4.331 -8.267 1.00 0.36 H new ATOM 0 HB3 LEU A 62 -3.471 -4.590 -6.715 1.00 0.36 H new ATOM 0 HG LEU A 62 -5.189 -2.191 -7.410 1.00 0.36 H new ATOM 0 HD11 LEU A 62 -6.856 -3.255 -5.948 1.00 0.41 H new ATOM 0 HD12 LEU A 62 -6.479 -4.271 -7.360 1.00 0.41 H new ATOM 0 HD13 LEU A 62 -5.790 -4.670 -5.768 1.00 0.41 H new ATOM 0 HD21 LEU A 62 -5.134 -1.780 -4.983 1.00 0.42 H new ATOM 0 HD22 LEU A 62 -4.028 -3.158 -4.776 1.00 0.42 H new ATOM 0 HD23 LEU A 62 -3.503 -1.726 -5.692 1.00 0.42 H new ATOM 1019 N SER A 63 -0.868 -4.608 -7.280 1.00 0.39 N ATOM 1020 CA SER A 63 0.074 -5.685 -7.506 1.00 0.45 C ATOM 1021 C SER A 63 -0.692 -6.978 -7.781 1.00 0.43 C ATOM 1022 O SER A 63 -1.921 -7.015 -7.672 1.00 0.51 O ATOM 1023 CB SER A 63 0.981 -5.844 -6.285 1.00 0.53 C ATOM 1024 OG SER A 63 0.259 -6.301 -5.153 1.00 1.45 O ATOM 0 H SER A 63 -0.993 -4.357 -6.299 1.00 0.39 H new ATOM 0 HA SER A 63 0.697 -5.454 -8.370 1.00 0.45 H new ATOM 0 HB2 SER A 63 1.781 -6.547 -6.515 1.00 0.53 H new ATOM 0 HB3 SER A 63 1.453 -4.889 -6.055 1.00 0.53 H new ATOM 0 HG SER A 63 0.584 -7.189 -4.894 1.00 1.45 H new ATOM 1030 N ARG A 64 0.024 -8.033 -8.129 1.00 0.51 N ATOM 1031 CA ARG A 64 -0.616 -9.281 -8.517 1.00 0.56 C ATOM 1032 C ARG A 64 -0.579 -10.280 -7.363 1.00 0.47 C ATOM 1033 O ARG A 64 -1.279 -11.294 -7.376 1.00 0.54 O ATOM 1034 CB ARG A 64 0.061 -9.839 -9.778 1.00 0.75 C ATOM 1035 CG ARG A 64 -0.575 -11.109 -10.327 1.00 1.20 C ATOM 1036 CD ARG A 64 0.217 -12.342 -9.921 1.00 1.80 C ATOM 1037 NE ARG A 64 1.585 -12.294 -10.440 1.00 2.42 N ATOM 1038 CZ ARG A 64 2.508 -13.229 -10.222 1.00 3.15 C ATOM 1039 NH1 ARG A 64 2.224 -14.306 -9.498 1.00 3.47 N ATOM 1040 NH2 ARG A 64 3.721 -13.080 -10.739 1.00 3.98 N ATOM 0 H ARG A 64 1.044 -8.052 -8.151 1.00 0.51 H new ATOM 0 HA ARG A 64 -1.664 -9.096 -8.751 1.00 0.56 H new ATOM 0 HB2 ARG A 64 0.042 -9.074 -10.554 1.00 0.75 H new ATOM 0 HB3 ARG A 64 1.109 -10.040 -9.554 1.00 0.75 H new ATOM 0 HG2 ARG A 64 -1.598 -11.194 -9.960 1.00 1.20 H new ATOM 0 HG3 ARG A 64 -0.630 -11.051 -11.414 1.00 1.20 H new ATOM 0 HD2 ARG A 64 0.241 -12.419 -8.834 1.00 1.80 H new ATOM 0 HD3 ARG A 64 -0.283 -13.236 -10.293 1.00 1.80 H new ATOM 0 HE ARG A 64 1.849 -11.489 -11.008 1.00 2.42 H new ATOM 0 HH11 ARG A 64 1.291 -14.423 -9.103 1.00 3.47 H new ATOM 0 HH12 ARG A 64 2.939 -15.016 -9.338 1.00 3.47 H new ATOM 0 HH21 ARG A 64 3.939 -12.255 -11.298 1.00 3.98 H new ATOM 0 HH22 ARG A 64 4.435 -13.790 -10.578 1.00 3.98 H new ATOM 1054 N ALA A 65 0.233 -9.985 -6.362 1.00 0.42 N ATOM 1055 CA ALA A 65 0.326 -10.824 -5.184 1.00 0.44 C ATOM 1056 C ALA A 65 0.412 -9.974 -3.918 1.00 0.42 C ATOM 1057 O ALA A 65 0.778 -8.798 -3.976 1.00 0.43 O ATOM 1058 CB ALA A 65 1.528 -11.747 -5.298 1.00 0.59 C ATOM 0 H ALA A 65 0.840 -9.165 -6.344 1.00 0.42 H new ATOM 0 HA ALA A 65 -0.576 -11.432 -5.116 1.00 0.44 H new ATOM 0 HB1 ALA A 65 1.591 -12.374 -4.409 1.00 0.59 H new ATOM 0 HB2 ALA A 65 1.420 -12.378 -6.180 1.00 0.59 H new ATOM 0 HB3 ALA A 65 2.437 -11.152 -5.387 1.00 0.59 H new ATOM 1064 N PRO A 66 0.050 -10.558 -2.759 1.00 0.41 N ATOM 1065 CA PRO A 66 0.135 -9.880 -1.457 1.00 0.42 C ATOM 1066 C PRO A 66 1.557 -9.433 -1.120 1.00 0.43 C ATOM 1067 O PRO A 66 2.538 -9.947 -1.667 1.00 0.45 O ATOM 1068 CB PRO A 66 -0.322 -10.951 -0.462 1.00 0.46 C ATOM 1069 CG PRO A 66 -1.129 -11.904 -1.268 1.00 0.62 C ATOM 1070 CD PRO A 66 -0.499 -11.919 -2.628 1.00 0.46 C ATOM 0 HA PRO A 66 -0.466 -8.971 -1.441 1.00 0.42 H new ATOM 0 HB2 PRO A 66 0.530 -11.449 0.002 1.00 0.46 H new ATOM 0 HB3 PRO A 66 -0.913 -10.515 0.343 1.00 0.46 H new ATOM 0 HG2 PRO A 66 -1.121 -12.899 -0.822 1.00 0.62 H new ATOM 0 HG3 PRO A 66 -2.170 -11.587 -1.322 1.00 0.62 H new ATOM 0 HD2 PRO A 66 0.281 -12.677 -2.702 1.00 0.46 H new ATOM 0 HD3 PRO A 66 -1.229 -12.136 -3.408 1.00 0.46 H new ATOM 1078 N ALA A 67 1.646 -8.484 -0.191 1.00 0.54 N ATOM 1079 CA ALA A 67 2.914 -7.868 0.200 1.00 0.63 C ATOM 1080 C ALA A 67 3.874 -8.869 0.830 1.00 0.52 C ATOM 1081 O ALA A 67 5.076 -8.617 0.908 1.00 0.57 O ATOM 1082 CB ALA A 67 2.659 -6.718 1.166 1.00 0.88 C ATOM 0 H ALA A 67 0.839 -8.119 0.314 1.00 0.54 H new ATOM 0 HA ALA A 67 3.384 -7.492 -0.708 1.00 0.63 H new ATOM 0 HB1 ALA A 67 3.609 -6.265 1.452 1.00 0.88 H new ATOM 0 HB2 ALA A 67 2.031 -5.969 0.683 1.00 0.88 H new ATOM 0 HB3 ALA A 67 2.155 -7.095 2.056 1.00 0.88 H new ATOM 1088 N SER A 68 3.341 -9.993 1.292 1.00 0.49 N ATOM 1089 CA SER A 68 4.158 -11.041 1.884 1.00 0.52 C ATOM 1090 C SER A 68 4.660 -12.014 0.814 1.00 0.47 C ATOM 1091 O SER A 68 5.542 -12.837 1.072 1.00 0.58 O ATOM 1092 CB SER A 68 3.348 -11.788 2.953 1.00 0.64 C ATOM 1093 OG SER A 68 4.104 -12.822 3.564 1.00 1.73 O ATOM 0 H SER A 68 2.343 -10.201 1.267 1.00 0.49 H new ATOM 0 HA SER A 68 5.029 -10.582 2.352 1.00 0.52 H new ATOM 0 HB2 SER A 68 3.015 -11.083 3.715 1.00 0.64 H new ATOM 0 HB3 SER A 68 2.453 -12.213 2.499 1.00 0.64 H new ATOM 0 HG SER A 68 4.813 -13.114 2.953 1.00 1.73 H new ATOM 1099 N SER A 69 4.116 -11.904 -0.394 1.00 0.43 N ATOM 1100 CA SER A 69 4.449 -12.839 -1.458 1.00 0.52 C ATOM 1101 C SER A 69 5.386 -12.206 -2.489 1.00 0.56 C ATOM 1102 O SER A 69 6.346 -12.839 -2.932 1.00 0.88 O ATOM 1103 CB SER A 69 3.174 -13.339 -2.140 1.00 0.67 C ATOM 1104 OG SER A 69 3.429 -14.474 -2.954 1.00 1.30 O ATOM 0 H SER A 69 3.447 -11.181 -0.658 1.00 0.43 H new ATOM 0 HA SER A 69 4.970 -13.684 -1.008 1.00 0.52 H new ATOM 0 HB2 SER A 69 2.431 -13.592 -1.384 1.00 0.67 H new ATOM 0 HB3 SER A 69 2.749 -12.541 -2.749 1.00 0.67 H new ATOM 0 HG SER A 69 2.594 -14.770 -3.374 1.00 1.30 H new ATOM 1110 N GLU A 70 5.110 -10.964 -2.880 1.00 0.52 N ATOM 1111 CA GLU A 70 5.955 -10.280 -3.854 1.00 0.53 C ATOM 1112 C GLU A 70 7.224 -9.743 -3.200 1.00 0.47 C ATOM 1113 O GLU A 70 7.185 -9.142 -2.123 1.00 0.45 O ATOM 1114 CB GLU A 70 5.191 -9.162 -4.571 1.00 0.64 C ATOM 1115 CG GLU A 70 4.253 -9.690 -5.648 1.00 1.19 C ATOM 1116 CD GLU A 70 3.743 -8.611 -6.584 1.00 1.34 C ATOM 1117 OE1 GLU A 70 4.571 -7.921 -7.215 1.00 1.74 O ATOM 1118 OE2 GLU A 70 2.512 -8.418 -6.654 1.00 1.91 O ATOM 0 H GLU A 70 4.318 -10.417 -2.542 1.00 0.52 H new ATOM 0 HA GLU A 70 6.249 -11.013 -4.605 1.00 0.53 H new ATOM 0 HB2 GLU A 70 4.616 -8.594 -3.840 1.00 0.64 H new ATOM 0 HB3 GLU A 70 5.904 -8.472 -5.022 1.00 0.64 H new ATOM 0 HG2 GLU A 70 4.773 -10.451 -6.231 1.00 1.19 H new ATOM 0 HG3 GLU A 70 3.403 -10.179 -5.172 1.00 1.19 H new ATOM 1125 N THR A 71 8.347 -9.978 -3.863 1.00 0.52 N ATOM 1126 CA THR A 71 9.650 -9.635 -3.321 1.00 0.53 C ATOM 1127 C THR A 71 10.413 -8.708 -4.257 1.00 0.61 C ATOM 1128 O THR A 71 10.230 -8.752 -5.474 1.00 0.70 O ATOM 1129 CB THR A 71 10.508 -10.902 -3.106 1.00 0.54 C ATOM 1130 OG1 THR A 71 10.694 -11.585 -4.356 1.00 1.06 O ATOM 1131 CG2 THR A 71 9.857 -11.843 -2.106 1.00 0.91 C ATOM 0 H THR A 71 8.379 -10.409 -4.787 1.00 0.52 H new ATOM 0 HA THR A 71 9.472 -9.134 -2.370 1.00 0.53 H new ATOM 0 HB THR A 71 11.474 -10.591 -2.709 1.00 0.54 H new ATOM 0 HG1 THR A 71 10.536 -12.544 -4.231 1.00 1.06 H new ATOM 0 HG21 THR A 71 10.484 -12.725 -1.975 1.00 0.91 H new ATOM 0 HG22 THR A 71 9.743 -11.334 -1.149 1.00 0.91 H new ATOM 0 HG23 THR A 71 8.877 -12.145 -2.476 1.00 0.91 H new ATOM 1139 N PHE A 72 11.268 -7.876 -3.684 1.00 0.63 N ATOM 1140 CA PHE A 72 12.231 -7.118 -4.457 1.00 0.72 C ATOM 1141 C PHE A 72 13.626 -7.579 -4.059 1.00 0.70 C ATOM 1142 O PHE A 72 13.847 -7.991 -2.918 1.00 0.66 O ATOM 1143 CB PHE A 72 12.053 -5.604 -4.259 1.00 0.84 C ATOM 1144 CG PHE A 72 12.215 -5.121 -2.840 1.00 0.56 C ATOM 1145 CD1 PHE A 72 11.153 -5.171 -1.951 1.00 0.85 C ATOM 1146 CD2 PHE A 72 13.434 -4.633 -2.394 1.00 0.55 C ATOM 1147 CE1 PHE A 72 11.303 -4.742 -0.645 1.00 1.33 C ATOM 1148 CE2 PHE A 72 13.588 -4.202 -1.090 1.00 0.79 C ATOM 1149 CZ PHE A 72 12.507 -4.206 -0.230 1.00 1.27 C ATOM 0 H PHE A 72 11.312 -7.710 -2.679 1.00 0.63 H new ATOM 0 HA PHE A 72 12.074 -7.301 -5.520 1.00 0.72 H new ATOM 0 HB2 PHE A 72 12.775 -5.084 -4.888 1.00 0.84 H new ATOM 0 HB3 PHE A 72 11.061 -5.321 -4.612 1.00 0.84 H new ATOM 0 HD1 PHE A 72 10.197 -5.549 -2.282 1.00 0.85 H new ATOM 0 HD2 PHE A 72 14.272 -4.589 -3.073 1.00 0.55 H new ATOM 0 HE1 PHE A 72 10.480 -4.826 0.050 1.00 1.33 H new ATOM 0 HE2 PHE A 72 14.553 -3.862 -0.744 1.00 0.79 H new ATOM 0 HZ PHE A 72 12.603 -3.792 0.763 1.00 1.27 H new ATOM 1159 N GLU A 73 14.556 -7.548 -4.993 1.00 0.81 N ATOM 1160 CA GLU A 73 15.859 -8.143 -4.764 1.00 0.85 C ATOM 1161 C GLU A 73 16.896 -7.084 -4.420 1.00 0.87 C ATOM 1162 O GLU A 73 17.293 -6.283 -5.267 1.00 0.95 O ATOM 1163 CB GLU A 73 16.283 -8.945 -5.993 1.00 1.02 C ATOM 1164 CG GLU A 73 17.464 -9.863 -5.749 1.00 1.12 C ATOM 1165 CD GLU A 73 17.638 -10.869 -6.864 1.00 1.45 C ATOM 1166 OE1 GLU A 73 18.320 -10.545 -7.857 1.00 1.58 O ATOM 1167 OE2 GLU A 73 17.104 -11.991 -6.748 1.00 2.00 O ATOM 0 H GLU A 73 14.436 -7.121 -5.911 1.00 0.81 H new ATOM 0 HA GLU A 73 15.788 -8.817 -3.910 1.00 0.85 H new ATOM 0 HB2 GLU A 73 15.437 -9.541 -6.336 1.00 1.02 H new ATOM 0 HB3 GLU A 73 16.533 -8.253 -6.798 1.00 1.02 H new ATOM 0 HG2 GLU A 73 18.372 -9.268 -5.652 1.00 1.12 H new ATOM 0 HG3 GLU A 73 17.326 -10.389 -4.804 1.00 1.12 H new ATOM 1174 N HIS A 74 17.323 -7.096 -3.167 1.00 0.85 N ATOM 1175 CA HIS A 74 18.326 -6.162 -2.681 1.00 0.94 C ATOM 1176 C HIS A 74 19.597 -6.923 -2.313 1.00 1.04 C ATOM 1177 O HIS A 74 19.566 -7.823 -1.468 1.00 1.03 O ATOM 1178 CB HIS A 74 17.784 -5.390 -1.470 1.00 0.95 C ATOM 1179 CG HIS A 74 18.760 -4.426 -0.863 1.00 1.21 C ATOM 1180 ND1 HIS A 74 18.903 -3.150 -1.344 1.00 1.83 N ATOM 1181 CD2 HIS A 74 19.612 -4.605 0.174 1.00 1.63 C ATOM 1182 CE1 HIS A 74 19.832 -2.583 -0.596 1.00 1.89 C ATOM 1183 NE2 HIS A 74 20.296 -3.426 0.339 1.00 1.71 N ATOM 0 H HIS A 74 16.986 -7.750 -2.461 1.00 0.85 H new ATOM 0 HA HIS A 74 18.563 -5.443 -3.465 1.00 0.94 H new ATOM 0 HB2 HIS A 74 16.892 -4.842 -1.773 1.00 0.95 H new ATOM 0 HB3 HIS A 74 17.475 -6.105 -0.707 1.00 0.95 H new ATOM 0 HD2 HIS A 74 19.731 -5.504 0.760 1.00 1.63 H new ATOM 0 HE1 HIS A 74 20.176 -1.567 -0.721 1.00 1.89 H new ATOM 0 HE2 HIS A 74 21.015 -3.230 1.035 1.00 1.71 H new ATOM 1191 N ASP A 75 20.704 -6.564 -2.964 1.00 1.23 N ATOM 1192 CA ASP A 75 21.992 -7.243 -2.773 1.00 1.40 C ATOM 1193 C ASP A 75 21.888 -8.733 -3.077 1.00 1.35 C ATOM 1194 O ASP A 75 22.561 -9.559 -2.454 1.00 1.42 O ATOM 1195 CB ASP A 75 22.531 -7.031 -1.352 1.00 1.50 C ATOM 1196 CG ASP A 75 23.393 -5.789 -1.230 1.00 1.87 C ATOM 1197 OD1 ASP A 75 22.837 -4.678 -1.094 1.00 2.37 O ATOM 1198 OD2 ASP A 75 24.633 -5.920 -1.256 1.00 2.24 O ATOM 0 H ASP A 75 20.736 -5.798 -3.637 1.00 1.23 H new ATOM 0 HA ASP A 75 22.694 -6.798 -3.478 1.00 1.40 H new ATOM 0 HB2 ASP A 75 21.694 -6.956 -0.658 1.00 1.50 H new ATOM 0 HB3 ASP A 75 23.114 -7.903 -1.055 1.00 1.50 H new ATOM 1203 N GLY A 76 21.037 -9.073 -4.038 1.00 1.31 N ATOM 1204 CA GLY A 76 20.874 -10.457 -4.444 1.00 1.35 C ATOM 1205 C GLY A 76 19.983 -11.248 -3.504 1.00 1.18 C ATOM 1206 O GLY A 76 19.842 -12.463 -3.648 1.00 1.26 O ATOM 0 H GLY A 76 20.453 -8.410 -4.547 1.00 1.31 H new ATOM 0 HA2 GLY A 76 20.452 -10.488 -5.449 1.00 1.35 H new ATOM 0 HA3 GLY A 76 21.853 -10.933 -4.495 1.00 1.35 H new ATOM 1210 N LYS A 77 19.381 -10.564 -2.541 1.00 1.01 N ATOM 1211 CA LYS A 77 18.524 -11.216 -1.564 1.00 0.88 C ATOM 1212 C LYS A 77 17.066 -10.856 -1.816 1.00 0.78 C ATOM 1213 O LYS A 77 16.743 -9.699 -2.096 1.00 0.79 O ATOM 1214 CB LYS A 77 18.937 -10.811 -0.148 1.00 0.93 C ATOM 1215 CG LYS A 77 20.417 -11.023 0.131 1.00 1.19 C ATOM 1216 CD LYS A 77 20.808 -12.487 0.014 1.00 1.33 C ATOM 1217 CE LYS A 77 22.314 -12.672 0.121 1.00 2.02 C ATOM 1218 NZ LYS A 77 22.863 -12.117 1.387 1.00 2.54 N ATOM 0 H LYS A 77 19.471 -9.556 -2.416 1.00 1.01 H new ATOM 0 HA LYS A 77 18.635 -12.296 -1.664 1.00 0.88 H new ATOM 0 HB2 LYS A 77 18.692 -9.760 0.008 1.00 0.93 H new ATOM 0 HB3 LYS A 77 18.353 -11.385 0.571 1.00 0.93 H new ATOM 0 HG2 LYS A 77 21.007 -10.432 -0.569 1.00 1.19 H new ATOM 0 HG3 LYS A 77 20.654 -10.662 1.132 1.00 1.19 H new ATOM 0 HD2 LYS A 77 20.313 -13.061 0.798 1.00 1.33 H new ATOM 0 HD3 LYS A 77 20.459 -12.883 -0.940 1.00 1.33 H new ATOM 0 HE2 LYS A 77 22.553 -13.734 0.059 1.00 2.02 H new ATOM 0 HE3 LYS A 77 22.798 -12.186 -0.726 1.00 2.02 H new ATOM 0 HZ1 LYS A 77 23.854 -12.413 1.495 1.00 2.54 H new ATOM 0 HZ2 LYS A 77 22.812 -11.079 1.362 1.00 2.54 H new ATOM 0 HZ3 LYS A 77 22.307 -12.471 2.191 1.00 2.54 H new ATOM 1232 N LYS A 78 16.193 -11.844 -1.726 1.00 0.74 N ATOM 1233 CA LYS A 78 14.779 -11.637 -1.994 1.00 0.72 C ATOM 1234 C LYS A 78 14.026 -11.298 -0.713 1.00 0.64 C ATOM 1235 O LYS A 78 13.786 -12.166 0.128 1.00 0.78 O ATOM 1236 CB LYS A 78 14.170 -12.881 -2.644 1.00 0.81 C ATOM 1237 CG LYS A 78 14.781 -13.219 -3.994 1.00 0.92 C ATOM 1238 CD LYS A 78 14.210 -14.510 -4.565 1.00 1.05 C ATOM 1239 CE LYS A 78 12.731 -14.382 -4.903 1.00 1.73 C ATOM 1240 NZ LYS A 78 12.483 -13.329 -5.925 1.00 2.52 N ATOM 0 H LYS A 78 16.438 -12.800 -1.469 1.00 0.74 H new ATOM 0 HA LYS A 78 14.687 -10.797 -2.682 1.00 0.72 H new ATOM 0 HB2 LYS A 78 14.297 -13.731 -1.973 1.00 0.81 H new ATOM 0 HB3 LYS A 78 13.098 -12.729 -2.767 1.00 0.81 H new ATOM 0 HG2 LYS A 78 14.598 -12.401 -4.691 1.00 0.92 H new ATOM 0 HG3 LYS A 78 15.862 -13.314 -3.890 1.00 0.92 H new ATOM 0 HD2 LYS A 78 14.764 -14.785 -5.462 1.00 1.05 H new ATOM 0 HD3 LYS A 78 14.348 -15.317 -3.845 1.00 1.05 H new ATOM 0 HE2 LYS A 78 12.359 -15.338 -5.270 1.00 1.73 H new ATOM 0 HE3 LYS A 78 12.171 -14.148 -3.998 1.00 1.73 H new ATOM 0 HZ1 LYS A 78 12.013 -12.516 -5.479 1.00 2.52 H new ATOM 0 HZ2 LYS A 78 13.388 -13.023 -6.335 1.00 2.52 H new ATOM 0 HZ3 LYS A 78 11.874 -13.711 -6.676 1.00 2.52 H new ATOM 1254 N VAL A 79 13.672 -10.031 -0.566 1.00 0.53 N ATOM 1255 CA VAL A 79 12.879 -9.583 0.569 1.00 0.49 C ATOM 1256 C VAL A 79 11.545 -9.037 0.077 1.00 0.43 C ATOM 1257 O VAL A 79 11.466 -8.455 -1.003 1.00 0.45 O ATOM 1258 CB VAL A 79 13.619 -8.505 1.398 1.00 0.57 C ATOM 1259 CG1 VAL A 79 14.819 -9.107 2.112 1.00 1.31 C ATOM 1260 CG2 VAL A 79 14.061 -7.347 0.517 1.00 1.38 C ATOM 0 H VAL A 79 13.923 -9.291 -1.222 1.00 0.53 H new ATOM 0 HA VAL A 79 12.710 -10.440 1.220 1.00 0.49 H new ATOM 0 HB VAL A 79 12.923 -8.122 2.144 1.00 0.57 H new ATOM 0 HG11 VAL A 79 15.325 -8.333 2.689 1.00 1.31 H new ATOM 0 HG12 VAL A 79 14.484 -9.899 2.782 1.00 1.31 H new ATOM 0 HG13 VAL A 79 15.509 -9.522 1.377 1.00 1.31 H new ATOM 0 HG21 VAL A 79 14.578 -6.604 1.125 1.00 1.38 H new ATOM 0 HG22 VAL A 79 14.734 -7.715 -0.257 1.00 1.38 H new ATOM 0 HG23 VAL A 79 13.188 -6.890 0.051 1.00 1.38 H new ATOM 1270 N THR A 80 10.497 -9.246 0.854 1.00 0.42 N ATOM 1271 CA THR A 80 9.165 -8.836 0.445 1.00 0.40 C ATOM 1272 C THR A 80 8.930 -7.368 0.765 1.00 0.39 C ATOM 1273 O THR A 80 9.745 -6.742 1.449 1.00 0.42 O ATOM 1274 CB THR A 80 8.074 -9.674 1.142 1.00 0.42 C ATOM 1275 OG1 THR A 80 8.071 -9.406 2.550 1.00 0.49 O ATOM 1276 CG2 THR A 80 8.301 -11.159 0.914 1.00 0.45 C ATOM 0 H THR A 80 10.542 -9.696 1.769 1.00 0.42 H new ATOM 0 HA THR A 80 9.102 -8.995 -0.631 1.00 0.40 H new ATOM 0 HB THR A 80 7.111 -9.396 0.714 1.00 0.42 H new ATOM 0 HG1 THR A 80 8.884 -9.774 2.955 1.00 0.49 H new ATOM 0 HG21 THR A 80 7.518 -11.728 1.416 1.00 0.45 H new ATOM 0 HG22 THR A 80 8.275 -11.371 -0.155 1.00 0.45 H new ATOM 0 HG23 THR A 80 9.272 -11.445 1.317 1.00 0.45 H new ATOM 1284 N ILE A 81 7.825 -6.823 0.279 1.00 0.40 N ATOM 1285 CA ILE A 81 7.437 -5.464 0.628 1.00 0.40 C ATOM 1286 C ILE A 81 7.310 -5.349 2.148 1.00 0.36 C ATOM 1287 O ILE A 81 7.808 -4.401 2.766 1.00 0.37 O ATOM 1288 CB ILE A 81 6.098 -5.075 -0.044 1.00 0.44 C ATOM 1289 CG1 ILE A 81 6.202 -5.206 -1.570 1.00 0.60 C ATOM 1290 CG2 ILE A 81 5.689 -3.659 0.342 1.00 0.48 C ATOM 1291 CD1 ILE A 81 7.257 -4.319 -2.197 1.00 0.81 C ATOM 0 H ILE A 81 7.183 -7.298 -0.356 1.00 0.40 H new ATOM 0 HA ILE A 81 8.205 -4.780 0.268 1.00 0.40 H new ATOM 0 HB ILE A 81 5.329 -5.761 0.311 1.00 0.44 H new ATOM 0 HG12 ILE A 81 6.420 -6.244 -1.821 1.00 0.60 H new ATOM 0 HG13 ILE A 81 5.234 -4.968 -2.011 1.00 0.60 H new ATOM 0 HG21 ILE A 81 4.745 -3.408 -0.142 1.00 0.48 H new ATOM 0 HG22 ILE A 81 5.570 -3.597 1.424 1.00 0.48 H new ATOM 0 HG23 ILE A 81 6.459 -2.958 0.021 1.00 0.48 H new ATOM 0 HD11 ILE A 81 7.266 -4.472 -3.276 1.00 0.81 H new ATOM 0 HD12 ILE A 81 7.031 -3.275 -1.980 1.00 0.81 H new ATOM 0 HD13 ILE A 81 8.235 -4.571 -1.787 1.00 0.81 H new ATOM 1303 N ALA A 82 6.684 -6.361 2.741 1.00 0.36 N ATOM 1304 CA ALA A 82 6.499 -6.421 4.182 1.00 0.39 C ATOM 1305 C ALA A 82 7.842 -6.474 4.904 1.00 0.41 C ATOM 1306 O ALA A 82 7.997 -5.896 5.977 1.00 0.43 O ATOM 1307 CB ALA A 82 5.647 -7.625 4.555 1.00 0.44 C ATOM 0 H ALA A 82 6.294 -7.157 2.237 1.00 0.36 H new ATOM 0 HA ALA A 82 5.982 -5.514 4.497 1.00 0.39 H new ATOM 0 HB1 ALA A 82 5.517 -7.657 5.637 1.00 0.44 H new ATOM 0 HB2 ALA A 82 4.672 -7.544 4.074 1.00 0.44 H new ATOM 0 HB3 ALA A 82 6.141 -8.538 4.222 1.00 0.44 H new ATOM 1313 N SER A 83 8.811 -7.155 4.302 1.00 0.46 N ATOM 1314 CA SER A 83 10.142 -7.278 4.886 1.00 0.54 C ATOM 1315 C SER A 83 10.828 -5.913 4.986 1.00 0.53 C ATOM 1316 O SER A 83 11.534 -5.633 5.955 1.00 0.56 O ATOM 1317 CB SER A 83 11.001 -8.232 4.054 1.00 0.67 C ATOM 1318 OG SER A 83 10.362 -9.487 3.879 1.00 1.08 O ATOM 0 H SER A 83 8.699 -7.632 3.407 1.00 0.46 H new ATOM 0 HA SER A 83 10.031 -7.681 5.892 1.00 0.54 H new ATOM 0 HB2 SER A 83 11.203 -7.786 3.080 1.00 0.67 H new ATOM 0 HB3 SER A 83 11.964 -8.378 4.544 1.00 0.67 H new ATOM 0 HG SER A 83 11.029 -10.163 3.636 1.00 1.08 H new ATOM 1324 N TYR A 84 10.612 -5.065 3.983 1.00 0.51 N ATOM 1325 CA TYR A 84 11.202 -3.731 3.971 1.00 0.55 C ATOM 1326 C TYR A 84 10.667 -2.898 5.130 1.00 0.53 C ATOM 1327 O TYR A 84 11.431 -2.271 5.864 1.00 0.57 O ATOM 1328 CB TYR A 84 10.918 -3.022 2.642 1.00 0.58 C ATOM 1329 CG TYR A 84 11.346 -1.570 2.628 1.00 0.64 C ATOM 1330 CD1 TYR A 84 12.690 -1.219 2.655 1.00 0.74 C ATOM 1331 CD2 TYR A 84 10.402 -0.550 2.602 1.00 0.63 C ATOM 1332 CE1 TYR A 84 13.080 0.108 2.656 1.00 0.81 C ATOM 1333 CE2 TYR A 84 10.784 0.779 2.605 1.00 0.71 C ATOM 1334 CZ TYR A 84 12.123 1.103 2.632 1.00 0.80 C ATOM 1335 OH TYR A 84 12.506 2.425 2.641 1.00 0.88 O ATOM 0 H TYR A 84 10.034 -5.278 3.170 1.00 0.51 H new ATOM 0 HA TYR A 84 12.281 -3.839 4.084 1.00 0.55 H new ATOM 0 HB2 TYR A 84 11.432 -3.552 1.840 1.00 0.58 H new ATOM 0 HB3 TYR A 84 9.850 -3.080 2.429 1.00 0.58 H new ATOM 0 HD1 TYR A 84 13.442 -1.994 2.676 1.00 0.74 H new ATOM 0 HD2 TYR A 84 9.352 -0.800 2.579 1.00 0.63 H new ATOM 0 HE1 TYR A 84 14.129 0.365 2.675 1.00 0.81 H new ATOM 0 HE2 TYR A 84 10.037 1.559 2.586 1.00 0.71 H new ATOM 0 HH TYR A 84 11.838 2.962 2.165 1.00 0.88 H new ATOM 1345 N PHE A 85 9.354 -2.901 5.292 1.00 0.48 N ATOM 1346 CA PHE A 85 8.725 -2.168 6.384 1.00 0.48 C ATOM 1347 C PHE A 85 9.088 -2.784 7.730 1.00 0.51 C ATOM 1348 O PHE A 85 9.274 -2.072 8.714 1.00 0.59 O ATOM 1349 CB PHE A 85 7.210 -2.100 6.190 1.00 0.48 C ATOM 1350 CG PHE A 85 6.819 -1.221 5.034 1.00 0.51 C ATOM 1351 CD1 PHE A 85 6.753 -1.731 3.750 1.00 0.57 C ATOM 1352 CD2 PHE A 85 6.540 0.123 5.232 1.00 0.87 C ATOM 1353 CE1 PHE A 85 6.414 -0.923 2.683 1.00 0.65 C ATOM 1354 CE2 PHE A 85 6.203 0.938 4.168 1.00 0.94 C ATOM 1355 CZ PHE A 85 6.140 0.414 2.892 1.00 0.70 C ATOM 0 H PHE A 85 8.703 -3.400 4.685 1.00 0.48 H new ATOM 0 HA PHE A 85 9.105 -1.147 6.375 1.00 0.48 H new ATOM 0 HB2 PHE A 85 6.822 -3.105 6.026 1.00 0.48 H new ATOM 0 HB3 PHE A 85 6.746 -1.724 7.102 1.00 0.48 H new ATOM 0 HD1 PHE A 85 6.970 -2.775 3.580 1.00 0.57 H new ATOM 0 HD2 PHE A 85 6.587 0.537 6.228 1.00 0.87 H new ATOM 0 HE1 PHE A 85 6.363 -1.336 1.686 1.00 0.65 H new ATOM 0 HE2 PHE A 85 5.989 1.983 4.334 1.00 0.94 H new ATOM 0 HZ PHE A 85 5.877 1.049 2.059 1.00 0.70 H new ATOM 1365 N HIS A 86 9.196 -4.108 7.763 1.00 0.49 N ATOM 1366 CA HIS A 86 9.633 -4.822 8.962 1.00 0.54 C ATOM 1367 C HIS A 86 11.007 -4.323 9.415 1.00 0.57 C ATOM 1368 O HIS A 86 11.281 -4.230 10.612 1.00 0.62 O ATOM 1369 CB HIS A 86 9.675 -6.329 8.682 1.00 0.57 C ATOM 1370 CG HIS A 86 10.216 -7.155 9.810 1.00 0.63 C ATOM 1371 ND1 HIS A 86 11.455 -7.747 9.732 1.00 0.96 N ATOM 1372 CD2 HIS A 86 9.654 -7.465 11.004 1.00 0.74 C ATOM 1373 CE1 HIS A 86 11.618 -8.400 10.869 1.00 0.98 C ATOM 1374 NE2 HIS A 86 10.553 -8.258 11.671 1.00 0.79 N ATOM 0 H HIS A 86 8.986 -4.713 6.969 1.00 0.49 H new ATOM 0 HA HIS A 86 8.921 -4.631 9.765 1.00 0.54 H new ATOM 0 HB2 HIS A 86 8.667 -6.671 8.449 1.00 0.57 H new ATOM 0 HB3 HIS A 86 10.284 -6.504 7.795 1.00 0.57 H new ATOM 0 HD2 HIS A 86 8.685 -7.149 11.361 1.00 0.74 H new ATOM 0 HE1 HIS A 86 12.497 -8.975 11.120 1.00 0.98 H new ATOM 0 HE2 HIS A 86 10.434 -8.662 12.600 1.00 0.79 H new ATOM 1382 N SER A 87 11.860 -3.991 8.449 1.00 0.57 N ATOM 1383 CA SER A 87 13.184 -3.453 8.740 1.00 0.65 C ATOM 1384 C SER A 87 13.071 -2.097 9.440 1.00 0.67 C ATOM 1385 O SER A 87 13.959 -1.694 10.191 1.00 0.75 O ATOM 1386 CB SER A 87 13.996 -3.330 7.446 1.00 0.68 C ATOM 1387 OG SER A 87 15.351 -2.993 7.707 1.00 1.36 O ATOM 0 H SER A 87 11.656 -4.086 7.454 1.00 0.57 H new ATOM 0 HA SER A 87 13.702 -4.138 9.412 1.00 0.65 H new ATOM 0 HB2 SER A 87 13.954 -4.272 6.899 1.00 0.68 H new ATOM 0 HB3 SER A 87 13.548 -2.569 6.806 1.00 0.68 H new ATOM 0 HG SER A 87 15.840 -2.924 6.860 1.00 1.36 H new ATOM 1393 N ARG A 88 11.956 -1.410 9.209 1.00 0.61 N ATOM 1394 CA ARG A 88 11.697 -0.121 9.841 1.00 0.67 C ATOM 1395 C ARG A 88 10.992 -0.327 11.173 1.00 0.64 C ATOM 1396 O ARG A 88 10.339 0.579 11.688 1.00 0.70 O ATOM 1397 CB ARG A 88 10.840 0.761 8.928 1.00 0.74 C ATOM 1398 CG ARG A 88 11.356 0.857 7.500 1.00 0.92 C ATOM 1399 CD ARG A 88 12.803 1.328 7.440 1.00 0.97 C ATOM 1400 NE ARG A 88 12.982 2.679 7.976 1.00 1.13 N ATOM 1401 CZ ARG A 88 13.965 3.497 7.598 1.00 1.42 C ATOM 1402 NH1 ARG A 88 14.849 3.106 6.687 1.00 1.76 N ATOM 1403 NH2 ARG A 88 14.065 4.708 8.127 1.00 2.11 N ATOM 0 H ARG A 88 11.214 -1.727 8.585 1.00 0.61 H new ATOM 0 HA ARG A 88 12.650 0.379 10.014 1.00 0.67 H new ATOM 0 HB2 ARG A 88 9.823 0.369 8.911 1.00 0.74 H new ATOM 0 HB3 ARG A 88 10.788 1.763 9.353 1.00 0.74 H new ATOM 0 HG2 ARG A 88 11.273 -0.118 7.020 1.00 0.92 H new ATOM 0 HG3 ARG A 88 10.728 1.545 6.934 1.00 0.92 H new ATOM 0 HD2 ARG A 88 13.430 0.634 8.000 1.00 0.97 H new ATOM 0 HD3 ARG A 88 13.146 1.304 6.406 1.00 0.97 H new ATOM 0 HE ARG A 88 12.319 3.012 8.676 1.00 1.13 H new ATOM 0 HH11 ARG A 88 14.778 2.176 6.273 1.00 1.76 H new ATOM 0 HH12 ARG A 88 15.599 3.735 6.401 1.00 1.76 H new ATOM 0 HH21 ARG A 88 13.389 5.017 8.825 1.00 2.11 H new ATOM 0 HH22 ARG A 88 14.818 5.331 7.836 1.00 2.11 H new ATOM 1417 N ASN A 89 11.133 -1.538 11.719 1.00 0.61 N ATOM 1418 CA ASN A 89 10.491 -1.915 12.974 1.00 0.63 C ATOM 1419 C ASN A 89 8.983 -1.809 12.833 1.00 0.66 C ATOM 1420 O ASN A 89 8.270 -1.497 13.789 1.00 0.83 O ATOM 1421 CB ASN A 89 10.978 -1.037 14.134 1.00 0.70 C ATOM 1422 CG ASN A 89 12.464 -1.191 14.405 1.00 1.30 C ATOM 1423 OD1 ASN A 89 12.882 -2.046 15.187 1.00 2.07 O ATOM 1424 ND2 ASN A 89 13.271 -0.354 13.769 1.00 1.91 N ATOM 0 H ASN A 89 11.695 -2.280 11.302 1.00 0.61 H new ATOM 0 HA ASN A 89 10.761 -2.947 13.199 1.00 0.63 H new ATOM 0 HB2 ASN A 89 10.761 0.007 13.909 1.00 0.70 H new ATOM 0 HB3 ASN A 89 10.421 -1.292 15.035 1.00 0.70 H new ATOM 0 HD21 ASN A 89 14.279 -0.404 13.919 1.00 1.91 H new ATOM 0 HD22 ASN A 89 12.884 0.340 13.129 1.00 1.91 H new ATOM 1431 N TYR A 90 8.501 -2.074 11.629 1.00 0.56 N ATOM 1432 CA TYR A 90 7.094 -1.931 11.331 1.00 0.64 C ATOM 1433 C TYR A 90 6.539 -3.201 10.701 1.00 0.59 C ATOM 1434 O TYR A 90 6.518 -3.342 9.478 1.00 0.57 O ATOM 1435 CB TYR A 90 6.872 -0.749 10.391 1.00 0.76 C ATOM 1436 CG TYR A 90 5.613 0.014 10.694 1.00 1.02 C ATOM 1437 CD1 TYR A 90 4.394 -0.447 10.232 1.00 1.04 C ATOM 1438 CD2 TYR A 90 5.642 1.198 11.422 1.00 1.67 C ATOM 1439 CE1 TYR A 90 3.227 0.250 10.487 1.00 1.39 C ATOM 1440 CE2 TYR A 90 4.482 1.899 11.686 1.00 2.09 C ATOM 1441 CZ TYR A 90 3.298 1.423 11.291 1.00 1.94 C ATOM 1442 OH TYR A 90 2.121 2.122 11.467 1.00 2.32 O ATOM 0 H TYR A 90 9.070 -2.390 10.843 1.00 0.56 H new ATOM 0 HA TYR A 90 6.567 -1.750 12.268 1.00 0.64 H new ATOM 0 HB2 TYR A 90 7.725 -0.073 10.458 1.00 0.76 H new ATOM 0 HB3 TYR A 90 6.832 -1.111 9.364 1.00 0.76 H new ATOM 0 HD1 TYR A 90 4.353 -1.365 9.664 1.00 1.04 H new ATOM 0 HD2 TYR A 90 6.586 1.575 11.787 1.00 1.67 H new ATOM 0 HE1 TYR A 90 2.283 -0.088 10.085 1.00 1.39 H new ATOM 0 HE2 TYR A 90 4.532 2.839 12.216 1.00 2.09 H new ATOM 0 HH TYR A 90 2.287 2.904 12.034 1.00 2.32 H new ATOM 1452 N PRO A 91 6.102 -4.152 11.528 1.00 0.61 N ATOM 1453 CA PRO A 91 5.437 -5.354 11.041 1.00 0.62 C ATOM 1454 C PRO A 91 4.020 -5.038 10.569 1.00 0.65 C ATOM 1455 O PRO A 91 3.159 -4.674 11.373 1.00 0.86 O ATOM 1456 CB PRO A 91 5.421 -6.270 12.267 1.00 0.68 C ATOM 1457 CG PRO A 91 5.432 -5.342 13.434 1.00 0.72 C ATOM 1458 CD PRO A 91 6.218 -4.134 13.001 1.00 0.69 C ATOM 0 HA PRO A 91 5.938 -5.804 10.184 1.00 0.62 H new ATOM 0 HB2 PRO A 91 4.535 -6.905 12.275 1.00 0.68 H new ATOM 0 HB3 PRO A 91 6.288 -6.931 12.279 1.00 0.68 H new ATOM 0 HG2 PRO A 91 4.418 -5.064 13.720 1.00 0.72 H new ATOM 0 HG3 PRO A 91 5.891 -5.814 14.303 1.00 0.72 H new ATOM 0 HD2 PRO A 91 5.808 -3.217 13.424 1.00 0.69 H new ATOM 0 HD3 PRO A 91 7.258 -4.196 13.322 1.00 0.69 H new ATOM 1466 N LEU A 92 3.796 -5.160 9.264 1.00 0.53 N ATOM 1467 CA LEU A 92 2.496 -4.861 8.674 1.00 0.55 C ATOM 1468 C LEU A 92 1.412 -5.699 9.327 1.00 0.56 C ATOM 1469 O LEU A 92 1.592 -6.897 9.563 1.00 0.59 O ATOM 1470 CB LEU A 92 2.518 -5.111 7.164 1.00 0.59 C ATOM 1471 CG LEU A 92 3.435 -4.183 6.361 1.00 0.57 C ATOM 1472 CD1 LEU A 92 3.353 -4.512 4.879 1.00 0.65 C ATOM 1473 CD2 LEU A 92 3.068 -2.726 6.603 1.00 0.62 C ATOM 0 H LEU A 92 4.501 -5.465 8.593 1.00 0.53 H new ATOM 0 HA LEU A 92 2.277 -3.807 8.848 1.00 0.55 H new ATOM 0 HB2 LEU A 92 2.826 -6.141 6.987 1.00 0.59 H new ATOM 0 HB3 LEU A 92 1.502 -5.012 6.781 1.00 0.59 H new ATOM 0 HG LEU A 92 4.461 -4.338 6.696 1.00 0.57 H new ATOM 0 HD11 LEU A 92 4.010 -3.844 4.321 1.00 0.65 H new ATOM 0 HD12 LEU A 92 3.663 -5.544 4.718 1.00 0.65 H new ATOM 0 HD13 LEU A 92 2.327 -4.383 4.534 1.00 0.65 H new ATOM 0 HD21 LEU A 92 3.731 -2.083 6.024 1.00 0.62 H new ATOM 0 HD22 LEU A 92 2.036 -2.555 6.296 1.00 0.62 H new ATOM 0 HD23 LEU A 92 3.174 -2.495 7.663 1.00 0.62 H new ATOM 1485 N LYS A 93 0.291 -5.068 9.619 1.00 0.63 N ATOM 1486 CA LYS A 93 -0.769 -5.716 10.362 1.00 0.68 C ATOM 1487 C LYS A 93 -1.652 -6.536 9.433 1.00 0.61 C ATOM 1488 O LYS A 93 -2.365 -7.438 9.876 1.00 0.68 O ATOM 1489 CB LYS A 93 -1.586 -4.674 11.124 1.00 0.83 C ATOM 1490 CG LYS A 93 -0.735 -3.820 12.052 1.00 0.91 C ATOM 1491 CD LYS A 93 -1.568 -2.828 12.846 1.00 1.28 C ATOM 1492 CE LYS A 93 -2.490 -3.529 13.830 1.00 1.57 C ATOM 1493 NZ LYS A 93 -3.246 -2.561 14.665 1.00 2.22 N ATOM 0 H LYS A 93 0.092 -4.104 9.351 1.00 0.63 H new ATOM 0 HA LYS A 93 -0.326 -6.400 11.086 1.00 0.68 H new ATOM 0 HB2 LYS A 93 -2.098 -4.028 10.411 1.00 0.83 H new ATOM 0 HB3 LYS A 93 -2.357 -5.179 11.707 1.00 0.83 H new ATOM 0 HG2 LYS A 93 -0.190 -4.467 12.740 1.00 0.91 H new ATOM 0 HG3 LYS A 93 0.008 -3.280 11.466 1.00 0.91 H new ATOM 0 HD2 LYS A 93 -0.908 -2.149 13.386 1.00 1.28 H new ATOM 0 HD3 LYS A 93 -2.160 -2.220 12.162 1.00 1.28 H new ATOM 0 HE2 LYS A 93 -3.190 -4.162 13.284 1.00 1.57 H new ATOM 0 HE3 LYS A 93 -1.903 -4.184 14.474 1.00 1.57 H new ATOM 0 HZ1 LYS A 93 -3.863 -3.078 15.323 1.00 2.22 H new ATOM 0 HZ2 LYS A 93 -2.579 -1.974 15.205 1.00 2.22 H new ATOM 0 HZ3 LYS A 93 -3.826 -1.953 14.052 1.00 2.22 H new ATOM 1507 N PHE A 94 -1.588 -6.228 8.143 1.00 0.52 N ATOM 1508 CA PHE A 94 -2.310 -6.994 7.137 1.00 0.50 C ATOM 1509 C PHE A 94 -1.378 -7.380 5.985 1.00 0.44 C ATOM 1510 O PHE A 94 -1.527 -6.887 4.872 1.00 0.42 O ATOM 1511 CB PHE A 94 -3.497 -6.186 6.596 1.00 0.51 C ATOM 1512 CG PHE A 94 -4.361 -5.582 7.668 1.00 0.59 C ATOM 1513 CD1 PHE A 94 -5.186 -6.376 8.445 1.00 0.68 C ATOM 1514 CD2 PHE A 94 -4.335 -4.217 7.904 1.00 0.66 C ATOM 1515 CE1 PHE A 94 -5.971 -5.820 9.437 1.00 0.78 C ATOM 1516 CE2 PHE A 94 -5.117 -3.655 8.895 1.00 0.78 C ATOM 1517 CZ PHE A 94 -5.937 -4.457 9.662 1.00 0.81 C ATOM 0 H PHE A 94 -1.042 -5.451 7.770 1.00 0.52 H new ATOM 0 HA PHE A 94 -2.686 -7.903 7.607 1.00 0.50 H new ATOM 0 HB2 PHE A 94 -3.120 -5.389 5.955 1.00 0.51 H new ATOM 0 HB3 PHE A 94 -4.111 -6.834 5.971 1.00 0.51 H new ATOM 0 HD1 PHE A 94 -5.217 -7.442 8.274 1.00 0.68 H new ATOM 0 HD2 PHE A 94 -3.696 -3.584 7.306 1.00 0.66 H new ATOM 0 HE1 PHE A 94 -6.611 -6.451 10.036 1.00 0.78 H new ATOM 0 HE2 PHE A 94 -5.086 -2.590 9.069 1.00 0.78 H new ATOM 0 HZ PHE A 94 -6.551 -4.021 10.436 1.00 0.81 H new ATOM 1527 N PRO A 95 -0.404 -8.278 6.230 1.00 0.48 N ATOM 1528 CA PRO A 95 0.565 -8.704 5.206 1.00 0.51 C ATOM 1529 C PRO A 95 -0.098 -9.418 4.026 1.00 0.47 C ATOM 1530 O PRO A 95 0.510 -9.589 2.967 1.00 0.51 O ATOM 1531 CB PRO A 95 1.494 -9.668 5.957 1.00 0.64 C ATOM 1532 CG PRO A 95 1.268 -9.389 7.402 1.00 0.65 C ATOM 1533 CD PRO A 95 -0.159 -8.941 7.517 1.00 0.59 C ATOM 0 HA PRO A 95 1.081 -7.850 4.767 1.00 0.51 H new ATOM 0 HB2 PRO A 95 1.262 -10.705 5.716 1.00 0.64 H new ATOM 0 HB3 PRO A 95 2.536 -9.503 5.683 1.00 0.64 H new ATOM 0 HG2 PRO A 95 1.447 -10.280 8.004 1.00 0.65 H new ATOM 0 HG3 PRO A 95 1.949 -8.618 7.762 1.00 0.65 H new ATOM 0 HD2 PRO A 95 -0.834 -9.782 7.672 1.00 0.59 H new ATOM 0 HD3 PRO A 95 -0.301 -8.259 8.355 1.00 0.59 H new ATOM 1541 N GLN A 96 -1.352 -9.814 4.216 1.00 0.45 N ATOM 1542 CA GLN A 96 -2.104 -10.528 3.192 1.00 0.44 C ATOM 1543 C GLN A 96 -2.654 -9.559 2.140 1.00 0.39 C ATOM 1544 O GLN A 96 -3.262 -9.978 1.155 1.00 0.43 O ATOM 1545 CB GLN A 96 -3.259 -11.298 3.844 1.00 0.53 C ATOM 1546 CG GLN A 96 -3.920 -12.327 2.939 1.00 1.06 C ATOM 1547 CD GLN A 96 -3.007 -13.494 2.623 1.00 1.54 C ATOM 1548 OE1 GLN A 96 -2.267 -13.480 1.638 1.00 2.05 O ATOM 1549 NE2 GLN A 96 -3.054 -14.515 3.461 1.00 2.31 N ATOM 0 H GLN A 96 -1.872 -9.650 5.078 1.00 0.45 H new ATOM 0 HA GLN A 96 -1.432 -11.227 2.694 1.00 0.44 H new ATOM 0 HB2 GLN A 96 -2.886 -11.803 4.735 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -4.014 -10.585 4.174 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -4.826 -12.698 3.418 1.00 1.06 H new ATOM 0 HG3 GLN A 96 -4.225 -11.846 2.009 1.00 1.06 H new ATOM 0 HE21 GLN A 96 -3.681 -14.486 4.265 1.00 2.31 H new ATOM 0 HE22 GLN A 96 -2.463 -15.331 3.304 1.00 2.31 H new ATOM 1558 N LEU A 97 -2.439 -8.265 2.348 1.00 0.44 N ATOM 1559 CA LEU A 97 -2.964 -7.259 1.435 1.00 0.54 C ATOM 1560 C LEU A 97 -2.210 -7.266 0.113 1.00 0.63 C ATOM 1561 O LEU A 97 -1.001 -7.512 0.070 1.00 1.25 O ATOM 1562 CB LEU A 97 -2.933 -5.853 2.074 1.00 0.69 C ATOM 1563 CG LEU A 97 -1.549 -5.234 2.349 1.00 0.86 C ATOM 1564 CD1 LEU A 97 -0.937 -4.643 1.088 1.00 1.56 C ATOM 1565 CD2 LEU A 97 -1.663 -4.163 3.417 1.00 1.35 C ATOM 0 H LEU A 97 -1.909 -7.891 3.135 1.00 0.44 H new ATOM 0 HA LEU A 97 -4.004 -7.514 1.231 1.00 0.54 H new ATOM 0 HB2 LEU A 97 -3.483 -5.174 1.423 1.00 0.69 H new ATOM 0 HB3 LEU A 97 -3.476 -5.899 3.018 1.00 0.69 H new ATOM 0 HG LEU A 97 -0.892 -6.031 2.698 1.00 0.86 H new ATOM 0 HD11 LEU A 97 0.038 -4.216 1.322 1.00 1.56 H new ATOM 0 HD12 LEU A 97 -0.820 -5.426 0.339 1.00 1.56 H new ATOM 0 HD13 LEU A 97 -1.590 -3.863 0.698 1.00 1.56 H new ATOM 0 HD21 LEU A 97 -0.680 -3.731 3.605 1.00 1.35 H new ATOM 0 HD22 LEU A 97 -2.344 -3.382 3.078 1.00 1.35 H new ATOM 0 HD23 LEU A 97 -2.047 -4.605 4.336 1.00 1.35 H new ATOM 1577 N HIS A 98 -2.941 -7.019 -0.962 1.00 0.38 N ATOM 1578 CA HIS A 98 -2.343 -6.783 -2.264 1.00 0.38 C ATOM 1579 C HIS A 98 -1.921 -5.325 -2.358 1.00 0.43 C ATOM 1580 O HIS A 98 -2.690 -4.419 -2.015 1.00 0.49 O ATOM 1581 CB HIS A 98 -3.328 -7.129 -3.381 1.00 0.38 C ATOM 1582 CG HIS A 98 -3.618 -8.594 -3.497 1.00 0.37 C ATOM 1583 ND1 HIS A 98 -4.220 -9.287 -2.479 1.00 0.49 N ATOM 1584 CD2 HIS A 98 -3.370 -9.444 -4.524 1.00 0.46 C ATOM 1585 CE1 HIS A 98 -4.325 -10.532 -2.903 1.00 0.47 C ATOM 1586 NE2 HIS A 98 -3.827 -10.681 -4.139 1.00 0.46 N ATOM 0 H HIS A 98 -3.960 -6.977 -0.956 1.00 0.38 H new ATOM 0 HA HIS A 98 -1.469 -7.423 -2.381 1.00 0.38 H new ATOM 0 HB2 HIS A 98 -4.262 -6.596 -3.207 1.00 0.38 H new ATOM 0 HB3 HIS A 98 -2.928 -6.771 -4.330 1.00 0.38 H new ATOM 0 HD2 HIS A 98 -2.902 -9.196 -5.465 1.00 0.46 H new ATOM 0 HE1 HIS A 98 -4.759 -11.334 -2.325 1.00 0.47 H new ATOM 0 HE2 HIS A 98 -3.794 -11.542 -4.685 1.00 0.46 H new ATOM 1594 N CYS A 99 -0.703 -5.111 -2.815 1.00 0.50 N ATOM 1595 CA CYS A 99 -0.088 -3.797 -2.800 1.00 0.56 C ATOM 1596 C CYS A 99 -0.684 -2.869 -3.857 1.00 0.41 C ATOM 1597 O CYS A 99 -1.262 -3.307 -4.851 1.00 0.38 O ATOM 1598 CB CYS A 99 1.416 -3.933 -3.007 1.00 0.76 C ATOM 1599 SG CYS A 99 2.226 -5.022 -1.813 1.00 1.19 S ATOM 0 H CYS A 99 -0.111 -5.843 -3.208 1.00 0.50 H new ATOM 0 HA CYS A 99 -0.288 -3.347 -1.827 1.00 0.56 H new ATOM 0 HB2 CYS A 99 1.601 -4.311 -4.012 1.00 0.76 H new ATOM 0 HB3 CYS A 99 1.871 -2.944 -2.949 1.00 0.76 H new ATOM 0 HG CYS A 99 3.124 -5.740 -2.420 1.00 1.19 H new ATOM 1605 N LEU A 100 -0.515 -1.584 -3.615 1.00 0.43 N ATOM 1606 CA LEU A 100 -1.079 -0.530 -4.435 1.00 0.39 C ATOM 1607 C LEU A 100 -0.085 -0.098 -5.504 1.00 0.28 C ATOM 1608 O LEU A 100 0.995 0.385 -5.182 1.00 0.27 O ATOM 1609 CB LEU A 100 -1.403 0.656 -3.524 1.00 0.58 C ATOM 1610 CG LEU A 100 -2.402 1.662 -4.062 1.00 0.66 C ATOM 1611 CD1 LEU A 100 -3.720 0.974 -4.335 1.00 1.53 C ATOM 1612 CD2 LEU A 100 -2.591 2.799 -3.072 1.00 0.93 C ATOM 0 H LEU A 100 0.030 -1.236 -2.826 1.00 0.43 H new ATOM 0 HA LEU A 100 -1.980 -0.890 -4.933 1.00 0.39 H new ATOM 0 HB2 LEU A 100 -1.783 0.268 -2.579 1.00 0.58 H new ATOM 0 HB3 LEU A 100 -0.474 1.181 -3.302 1.00 0.58 H new ATOM 0 HG LEU A 100 -2.021 2.080 -4.994 1.00 0.66 H new ATOM 0 HD11 LEU A 100 -4.436 1.699 -4.721 1.00 1.53 H new ATOM 0 HD12 LEU A 100 -3.572 0.183 -5.070 1.00 1.53 H new ATOM 0 HD13 LEU A 100 -4.104 0.543 -3.410 1.00 1.53 H new ATOM 0 HD21 LEU A 100 -3.311 3.513 -3.472 1.00 0.93 H new ATOM 0 HD22 LEU A 100 -2.961 2.401 -2.127 1.00 0.93 H new ATOM 0 HD23 LEU A 100 -1.637 3.299 -2.906 1.00 0.93 H new ATOM 1624 N ASN A 101 -0.440 -0.269 -6.767 1.00 0.29 N ATOM 1625 CA ASN A 101 0.438 0.150 -7.853 1.00 0.29 C ATOM 1626 C ASN A 101 0.361 1.647 -8.020 1.00 0.29 C ATOM 1627 O ASN A 101 -0.584 2.183 -8.607 1.00 0.37 O ATOM 1628 CB ASN A 101 0.078 -0.561 -9.163 1.00 0.34 C ATOM 1629 CG ASN A 101 0.912 -0.091 -10.345 1.00 0.46 C ATOM 1630 OD1 ASN A 101 0.545 0.850 -11.046 1.00 1.34 O ATOM 1631 ND2 ASN A 101 2.031 -0.756 -10.584 1.00 0.83 N ATOM 0 H ASN A 101 -1.320 -0.690 -7.066 1.00 0.29 H new ATOM 0 HA ASN A 101 1.461 -0.128 -7.599 1.00 0.29 H new ATOM 0 HB2 ASN A 101 0.212 -1.635 -9.035 1.00 0.34 H new ATOM 0 HB3 ASN A 101 -0.977 -0.395 -9.381 1.00 0.34 H new ATOM 0 HD21 ASN A 101 2.622 -0.493 -11.373 1.00 0.83 H new ATOM 0 HD22 ASN A 101 2.302 -1.532 -9.980 1.00 0.83 H new ATOM 1638 N VAL A 102 1.352 2.310 -7.466 1.00 0.28 N ATOM 1639 CA VAL A 102 1.418 3.746 -7.490 1.00 0.30 C ATOM 1640 C VAL A 102 2.725 4.190 -8.124 1.00 0.31 C ATOM 1641 O VAL A 102 3.471 3.383 -8.691 1.00 0.35 O ATOM 1642 CB VAL A 102 1.326 4.339 -6.062 1.00 0.32 C ATOM 1643 CG1 VAL A 102 0.141 3.766 -5.299 1.00 0.86 C ATOM 1644 CG2 VAL A 102 2.619 4.106 -5.297 1.00 0.91 C ATOM 0 H VAL A 102 2.134 1.864 -6.987 1.00 0.28 H new ATOM 0 HA VAL A 102 0.572 4.109 -8.074 1.00 0.30 H new ATOM 0 HB VAL A 102 1.172 5.414 -6.159 1.00 0.32 H new ATOM 0 HG11 VAL A 102 0.105 4.203 -4.301 1.00 0.86 H new ATOM 0 HG12 VAL A 102 -0.781 4.000 -5.831 1.00 0.86 H new ATOM 0 HG13 VAL A 102 0.249 2.684 -5.218 1.00 0.86 H new ATOM 0 HG21 VAL A 102 2.532 4.531 -4.297 1.00 0.91 H new ATOM 0 HG22 VAL A 102 2.809 3.035 -5.221 1.00 0.91 H new ATOM 0 HG23 VAL A 102 3.445 4.585 -5.824 1.00 0.91 H new ATOM 1654 N GLY A 103 3.001 5.468 -7.998 1.00 0.35 N ATOM 1655 CA GLY A 103 4.237 6.020 -8.490 1.00 0.41 C ATOM 1656 C GLY A 103 4.104 6.547 -9.900 1.00 0.48 C ATOM 1657 O GLY A 103 3.336 7.475 -10.154 1.00 0.65 O ATOM 0 H GLY A 103 2.380 6.146 -7.556 1.00 0.35 H new ATOM 0 HA2 GLY A 103 4.561 6.826 -7.831 1.00 0.41 H new ATOM 0 HA3 GLY A 103 5.012 5.254 -8.462 1.00 0.41 H new ATOM 1661 N SER A 104 4.859 5.965 -10.815 1.00 0.78 N ATOM 1662 CA SER A 104 4.833 6.375 -12.211 1.00 0.88 C ATOM 1663 C SER A 104 5.240 5.210 -13.106 1.00 1.00 C ATOM 1664 O SER A 104 5.501 4.112 -12.613 1.00 1.10 O ATOM 1665 CB SER A 104 5.773 7.567 -12.430 1.00 0.91 C ATOM 1666 OG SER A 104 5.433 8.653 -11.584 1.00 1.52 O ATOM 0 H SER A 104 5.504 5.200 -10.615 1.00 0.78 H new ATOM 0 HA SER A 104 3.819 6.679 -12.470 1.00 0.88 H new ATOM 0 HB2 SER A 104 6.802 7.262 -12.238 1.00 0.91 H new ATOM 0 HB3 SER A 104 5.724 7.885 -13.471 1.00 0.91 H new ATOM 0 HG SER A 104 6.050 9.398 -11.744 1.00 1.52 H new ATOM 1672 N SER A 105 5.293 5.436 -14.409 1.00 1.06 N ATOM 1673 CA SER A 105 5.794 4.425 -15.325 1.00 1.19 C ATOM 1674 C SER A 105 7.241 4.078 -14.983 1.00 1.14 C ATOM 1675 O SER A 105 7.644 2.918 -15.037 1.00 1.20 O ATOM 1676 CB SER A 105 5.685 4.921 -16.767 1.00 1.36 C ATOM 1677 OG SER A 105 4.354 5.308 -17.065 1.00 1.77 O ATOM 0 H SER A 105 4.997 6.305 -14.854 1.00 1.06 H new ATOM 0 HA SER A 105 5.189 3.524 -15.224 1.00 1.19 H new ATOM 0 HB2 SER A 105 6.357 5.766 -16.918 1.00 1.36 H new ATOM 0 HB3 SER A 105 6.002 4.135 -17.452 1.00 1.36 H new ATOM 0 HG SER A 105 4.305 5.624 -17.991 1.00 1.77 H new ATOM 1683 N ILE A 106 8.010 5.094 -14.600 1.00 1.10 N ATOM 1684 CA ILE A 106 9.392 4.889 -14.193 1.00 1.09 C ATOM 1685 C ILE A 106 9.469 4.306 -12.781 1.00 0.89 C ATOM 1686 O ILE A 106 10.242 3.385 -12.520 1.00 0.95 O ATOM 1687 CB ILE A 106 10.215 6.198 -14.263 1.00 1.18 C ATOM 1688 CG1 ILE A 106 9.523 7.324 -13.482 1.00 1.25 C ATOM 1689 CG2 ILE A 106 10.431 6.602 -15.715 1.00 1.67 C ATOM 1690 CD1 ILE A 106 10.335 8.600 -13.401 1.00 1.60 C ATOM 0 H ILE A 106 7.698 6.064 -14.564 1.00 1.10 H new ATOM 0 HA ILE A 106 9.824 4.177 -14.896 1.00 1.09 H new ATOM 0 HB ILE A 106 11.186 6.021 -13.801 1.00 1.18 H new ATOM 0 HG12 ILE A 106 8.564 7.544 -13.952 1.00 1.25 H new ATOM 0 HG13 ILE A 106 9.310 6.975 -12.472 1.00 1.25 H new ATOM 0 HG21 ILE A 106 11.011 7.524 -15.754 1.00 1.67 H new ATOM 0 HG22 ILE A 106 10.971 5.811 -16.236 1.00 1.67 H new ATOM 0 HG23 ILE A 106 9.466 6.760 -16.196 1.00 1.67 H new ATOM 0 HD11 ILE A 106 9.781 9.348 -12.835 1.00 1.60 H new ATOM 0 HD12 ILE A 106 11.283 8.397 -12.903 1.00 1.60 H new ATOM 0 HD13 ILE A 106 10.526 8.974 -14.407 1.00 1.60 H new ATOM 1702 N LYS A 107 8.667 4.846 -11.869 1.00 0.77 N ATOM 1703 CA LYS A 107 8.625 4.353 -10.511 1.00 0.65 C ATOM 1704 C LYS A 107 7.463 3.396 -10.321 1.00 0.58 C ATOM 1705 O LYS A 107 6.386 3.805 -9.890 1.00 0.59 O ATOM 1706 CB LYS A 107 8.470 5.509 -9.529 1.00 0.80 C ATOM 1707 CG LYS A 107 9.194 5.258 -8.228 1.00 0.52 C ATOM 1708 CD LYS A 107 10.664 5.576 -8.376 1.00 1.41 C ATOM 1709 CE LYS A 107 11.395 5.243 -7.111 1.00 1.58 C ATOM 1710 NZ LYS A 107 12.862 5.137 -7.316 1.00 2.62 N ATOM 0 H LYS A 107 8.038 5.627 -12.054 1.00 0.77 H new ATOM 0 HA LYS A 107 9.562 3.829 -10.321 1.00 0.65 H new ATOM 0 HB2 LYS A 107 8.852 6.423 -9.984 1.00 0.80 H new ATOM 0 HB3 LYS A 107 7.411 5.672 -9.327 1.00 0.80 H new ATOM 0 HG2 LYS A 107 8.760 5.871 -7.438 1.00 0.52 H new ATOM 0 HG3 LYS A 107 9.068 4.217 -7.929 1.00 0.52 H new ATOM 0 HD2 LYS A 107 11.084 5.010 -9.207 1.00 1.41 H new ATOM 0 HD3 LYS A 107 10.793 6.632 -8.612 1.00 1.41 H new ATOM 0 HE2 LYS A 107 11.190 6.009 -6.364 1.00 1.58 H new ATOM 0 HE3 LYS A 107 11.017 4.301 -6.714 1.00 1.58 H new ATOM 0 HZ1 LYS A 107 13.290 4.635 -6.512 1.00 2.62 H new ATOM 0 HZ2 LYS A 107 13.053 4.612 -8.193 1.00 2.62 H new ATOM 0 HZ3 LYS A 107 13.272 6.090 -7.387 1.00 2.62 H new ATOM 1724 N SER A 108 7.673 2.134 -10.635 1.00 0.56 N ATOM 1725 CA SER A 108 6.665 1.130 -10.371 1.00 0.54 C ATOM 1726 C SER A 108 6.758 0.702 -8.917 1.00 0.48 C ATOM 1727 O SER A 108 7.474 -0.241 -8.580 1.00 0.55 O ATOM 1728 CB SER A 108 6.849 -0.074 -11.295 1.00 0.63 C ATOM 1729 OG SER A 108 6.802 0.317 -12.660 1.00 1.12 O ATOM 0 H SER A 108 8.526 1.782 -11.070 1.00 0.56 H new ATOM 0 HA SER A 108 5.678 1.552 -10.563 1.00 0.54 H new ATOM 0 HB2 SER A 108 7.804 -0.556 -11.084 1.00 0.63 H new ATOM 0 HB3 SER A 108 6.070 -0.810 -11.097 1.00 0.63 H new ATOM 0 HG SER A 108 6.924 -0.471 -13.230 1.00 1.12 H new ATOM 1735 N ILE A 109 6.040 1.403 -8.056 1.00 0.39 N ATOM 1736 CA ILE A 109 6.105 1.138 -6.633 1.00 0.36 C ATOM 1737 C ILE A 109 4.765 0.645 -6.123 1.00 0.32 C ATOM 1738 O ILE A 109 3.719 1.235 -6.392 1.00 0.38 O ATOM 1739 CB ILE A 109 6.552 2.382 -5.833 1.00 0.37 C ATOM 1740 CG1 ILE A 109 5.911 3.658 -6.388 1.00 0.32 C ATOM 1741 CG2 ILE A 109 8.069 2.492 -5.843 1.00 0.54 C ATOM 1742 CD1 ILE A 109 6.255 4.904 -5.595 1.00 0.39 C ATOM 0 H ILE A 109 5.407 2.158 -8.319 1.00 0.39 H new ATOM 0 HA ILE A 109 6.855 0.361 -6.483 1.00 0.36 H new ATOM 0 HB ILE A 109 6.215 2.266 -4.803 1.00 0.37 H new ATOM 0 HG12 ILE A 109 6.230 3.795 -7.421 1.00 0.32 H new ATOM 0 HG13 ILE A 109 4.828 3.534 -6.403 1.00 0.32 H new ATOM 0 HG21 ILE A 109 8.374 3.372 -5.277 1.00 0.54 H new ATOM 0 HG22 ILE A 109 8.501 1.600 -5.389 1.00 0.54 H new ATOM 0 HG23 ILE A 109 8.420 2.583 -6.871 1.00 0.54 H new ATOM 0 HD11 ILE A 109 5.767 5.768 -6.045 1.00 0.39 H new ATOM 0 HD12 ILE A 109 5.911 4.788 -4.567 1.00 0.39 H new ATOM 0 HD13 ILE A 109 7.335 5.053 -5.602 1.00 0.39 H new ATOM 1754 N LEU A 110 4.808 -0.467 -5.418 1.00 0.33 N ATOM 1755 CA LEU A 110 3.611 -1.085 -4.884 1.00 0.34 C ATOM 1756 C LEU A 110 3.544 -0.808 -3.383 1.00 0.35 C ATOM 1757 O LEU A 110 4.394 -1.282 -2.628 1.00 0.41 O ATOM 1758 CB LEU A 110 3.632 -2.603 -5.144 1.00 0.43 C ATOM 1759 CG LEU A 110 3.765 -3.053 -6.613 1.00 0.47 C ATOM 1760 CD1 LEU A 110 2.783 -2.312 -7.499 1.00 1.01 C ATOM 1761 CD2 LEU A 110 5.191 -2.884 -7.124 1.00 1.08 C ATOM 0 H LEU A 110 5.670 -0.966 -5.199 1.00 0.33 H new ATOM 0 HA LEU A 110 2.732 -0.668 -5.376 1.00 0.34 H new ATOM 0 HB2 LEU A 110 4.460 -3.033 -4.580 1.00 0.43 H new ATOM 0 HB3 LEU A 110 2.715 -3.030 -4.739 1.00 0.43 H new ATOM 0 HG LEU A 110 3.525 -4.115 -6.652 1.00 0.47 H new ATOM 0 HD11 LEU A 110 2.898 -2.648 -8.530 1.00 1.01 H new ATOM 0 HD12 LEU A 110 1.766 -2.513 -7.163 1.00 1.01 H new ATOM 0 HD13 LEU A 110 2.978 -1.241 -7.443 1.00 1.01 H new ATOM 0 HD21 LEU A 110 5.247 -3.211 -8.162 1.00 1.08 H new ATOM 0 HD22 LEU A 110 5.479 -1.835 -7.058 1.00 1.08 H new ATOM 0 HD23 LEU A 110 5.868 -3.485 -6.517 1.00 1.08 H new ATOM 1773 N LEU A 111 2.533 -0.065 -2.946 1.00 0.31 N ATOM 1774 CA LEU A 111 2.483 0.416 -1.566 1.00 0.34 C ATOM 1775 C LEU A 111 1.438 -0.347 -0.765 1.00 0.36 C ATOM 1776 O LEU A 111 0.350 -0.617 -1.255 1.00 0.46 O ATOM 1777 CB LEU A 111 2.146 1.921 -1.511 1.00 0.34 C ATOM 1778 CG LEU A 111 3.000 2.846 -2.386 1.00 0.32 C ATOM 1779 CD1 LEU A 111 2.966 4.274 -1.865 1.00 0.38 C ATOM 1780 CD2 LEU A 111 4.423 2.354 -2.461 1.00 0.43 C ATOM 0 H LEU A 111 1.740 0.217 -3.522 1.00 0.31 H new ATOM 0 HA LEU A 111 3.470 0.252 -1.133 1.00 0.34 H new ATOM 0 HB2 LEU A 111 1.102 2.048 -1.798 1.00 0.34 H new ATOM 0 HB3 LEU A 111 2.234 2.253 -0.476 1.00 0.34 H new ATOM 0 HG LEU A 111 2.576 2.835 -3.390 1.00 0.32 H new ATOM 0 HD11 LEU A 111 3.580 4.909 -2.504 1.00 0.38 H new ATOM 0 HD12 LEU A 111 1.939 4.639 -1.870 1.00 0.38 H new ATOM 0 HD13 LEU A 111 3.355 4.299 -0.847 1.00 0.38 H new ATOM 0 HD21 LEU A 111 5.008 3.027 -3.087 1.00 0.43 H new ATOM 0 HD22 LEU A 111 4.852 2.326 -1.459 1.00 0.43 H new ATOM 0 HD23 LEU A 111 4.440 1.352 -2.891 1.00 0.43 H new ATOM 1792 N PRO A 112 1.759 -0.716 0.478 1.00 0.30 N ATOM 1793 CA PRO A 112 0.808 -1.380 1.364 1.00 0.29 C ATOM 1794 C PRO A 112 -0.437 -0.524 1.577 1.00 0.27 C ATOM 1795 O PRO A 112 -0.366 0.559 2.165 1.00 0.30 O ATOM 1796 CB PRO A 112 1.578 -1.555 2.680 1.00 0.33 C ATOM 1797 CG PRO A 112 2.746 -0.633 2.582 1.00 0.53 C ATOM 1798 CD PRO A 112 3.065 -0.516 1.119 1.00 0.33 C ATOM 0 HA PRO A 112 0.454 -2.326 0.955 1.00 0.29 H new ATOM 0 HB2 PRO A 112 0.952 -1.306 3.537 1.00 0.33 H new ATOM 0 HB3 PRO A 112 1.902 -2.587 2.811 1.00 0.33 H new ATOM 0 HG2 PRO A 112 2.509 0.342 3.008 1.00 0.53 H new ATOM 0 HG3 PRO A 112 3.599 -1.025 3.136 1.00 0.53 H new ATOM 0 HD2 PRO A 112 3.489 0.458 0.875 1.00 0.33 H new ATOM 0 HD3 PRO A 112 3.789 -1.267 0.803 1.00 0.33 H new ATOM 1806 N ILE A 113 -1.572 -1.020 1.080 1.00 0.27 N ATOM 1807 CA ILE A 113 -2.849 -0.309 1.172 1.00 0.27 C ATOM 1808 C ILE A 113 -3.186 0.028 2.633 1.00 0.29 C ATOM 1809 O ILE A 113 -3.942 0.959 2.912 1.00 0.31 O ATOM 1810 CB ILE A 113 -3.997 -1.126 0.506 1.00 0.29 C ATOM 1811 CG1 ILE A 113 -5.320 -0.349 0.555 1.00 0.31 C ATOM 1812 CG2 ILE A 113 -4.144 -2.505 1.139 1.00 0.30 C ATOM 1813 CD1 ILE A 113 -6.560 -1.220 0.482 1.00 0.45 C ATOM 0 H ILE A 113 -1.632 -1.921 0.605 1.00 0.27 H new ATOM 0 HA ILE A 113 -2.749 0.629 0.626 1.00 0.27 H new ATOM 0 HB ILE A 113 -3.732 -1.277 -0.540 1.00 0.29 H new ATOM 0 HG12 ILE A 113 -5.352 0.232 1.477 1.00 0.31 H new ATOM 0 HG13 ILE A 113 -5.341 0.362 -0.271 1.00 0.31 H new ATOM 0 HG21 ILE A 113 -4.954 -3.046 0.649 1.00 0.30 H new ATOM 0 HG22 ILE A 113 -3.214 -3.060 1.021 1.00 0.30 H new ATOM 0 HG23 ILE A 113 -4.370 -2.396 2.200 1.00 0.30 H new ATOM 0 HD11 ILE A 113 -7.449 -0.591 0.523 1.00 0.45 H new ATOM 0 HD12 ILE A 113 -6.556 -1.782 -0.452 1.00 0.45 H new ATOM 0 HD13 ILE A 113 -6.567 -1.914 1.323 1.00 0.45 H new ATOM 1825 N GLU A 114 -2.591 -0.726 3.555 1.00 0.32 N ATOM 1826 CA GLU A 114 -2.746 -0.493 4.990 1.00 0.39 C ATOM 1827 C GLU A 114 -2.324 0.926 5.381 1.00 0.38 C ATOM 1828 O GLU A 114 -2.956 1.562 6.225 1.00 0.46 O ATOM 1829 CB GLU A 114 -1.905 -1.513 5.763 1.00 0.47 C ATOM 1830 CG GLU A 114 -2.011 -1.390 7.276 1.00 0.73 C ATOM 1831 CD GLU A 114 -1.131 -2.382 8.015 1.00 1.58 C ATOM 1832 OE1 GLU A 114 -0.996 -3.531 7.549 1.00 1.86 O ATOM 1833 OE2 GLU A 114 -0.577 -2.011 9.070 1.00 2.32 O ATOM 0 H GLU A 114 -1.987 -1.516 3.328 1.00 0.32 H new ATOM 0 HA GLU A 114 -3.801 -0.608 5.241 1.00 0.39 H new ATOM 0 HB2 GLU A 114 -2.211 -2.517 5.469 1.00 0.47 H new ATOM 0 HB3 GLU A 114 -0.860 -1.400 5.473 1.00 0.47 H new ATOM 0 HG2 GLU A 114 -1.736 -0.378 7.573 1.00 0.73 H new ATOM 0 HG3 GLU A 114 -3.048 -1.540 7.575 1.00 0.73 H new ATOM 1840 N LEU A 115 -1.275 1.429 4.742 1.00 0.32 N ATOM 1841 CA LEU A 115 -0.690 2.710 5.124 1.00 0.33 C ATOM 1842 C LEU A 115 -1.135 3.824 4.179 1.00 0.32 C ATOM 1843 O LEU A 115 -0.631 4.947 4.238 1.00 0.33 O ATOM 1844 CB LEU A 115 0.835 2.602 5.132 1.00 0.41 C ATOM 1845 CG LEU A 115 1.397 1.502 6.037 1.00 0.51 C ATOM 1846 CD1 LEU A 115 2.905 1.413 5.896 1.00 0.62 C ATOM 1847 CD2 LEU A 115 1.013 1.749 7.488 1.00 0.58 C ATOM 0 H LEU A 115 -0.812 0.971 3.957 1.00 0.32 H new ATOM 0 HA LEU A 115 -1.039 2.961 6.126 1.00 0.33 H new ATOM 0 HB2 LEU A 115 1.178 2.425 4.113 1.00 0.41 H new ATOM 0 HB3 LEU A 115 1.251 3.559 5.446 1.00 0.41 H new ATOM 0 HG LEU A 115 0.964 0.552 5.725 1.00 0.51 H new ATOM 0 HD11 LEU A 115 3.285 0.626 6.547 1.00 0.62 H new ATOM 0 HD12 LEU A 115 3.161 1.184 4.862 1.00 0.62 H new ATOM 0 HD13 LEU A 115 3.354 2.365 6.178 1.00 0.62 H new ATOM 0 HD21 LEU A 115 1.423 0.955 8.113 1.00 0.58 H new ATOM 0 HD22 LEU A 115 1.414 2.710 7.812 1.00 0.58 H new ATOM 0 HD23 LEU A 115 -0.073 1.759 7.580 1.00 0.58 H new ATOM 1859 N CYS A 116 -2.084 3.507 3.312 1.00 0.37 N ATOM 1860 CA CYS A 116 -2.607 4.485 2.371 1.00 0.39 C ATOM 1861 C CYS A 116 -3.906 5.075 2.904 1.00 0.34 C ATOM 1862 O CYS A 116 -4.799 4.339 3.325 1.00 0.38 O ATOM 1863 CB CYS A 116 -2.862 3.837 1.010 1.00 0.48 C ATOM 1864 SG CYS A 116 -1.458 2.896 0.367 1.00 0.86 S ATOM 0 H CYS A 116 -2.507 2.582 3.240 1.00 0.37 H new ATOM 0 HA CYS A 116 -1.869 5.278 2.252 1.00 0.39 H new ATOM 0 HB2 CYS A 116 -3.724 3.174 1.091 1.00 0.48 H new ATOM 0 HB3 CYS A 116 -3.124 4.615 0.292 1.00 0.48 H new ATOM 0 HG CYS A 116 -1.126 1.974 1.221 1.00 0.86 H new ATOM 1870 N SER A 117 -4.011 6.391 2.903 1.00 0.32 N ATOM 1871 CA SER A 117 -5.232 7.041 3.338 1.00 0.29 C ATOM 1872 C SER A 117 -5.975 7.622 2.143 1.00 0.24 C ATOM 1873 O SER A 117 -5.451 8.455 1.406 1.00 0.29 O ATOM 1874 CB SER A 117 -4.930 8.131 4.367 1.00 0.35 C ATOM 1875 OG SER A 117 -6.123 8.616 4.961 1.00 0.97 O ATOM 0 H SER A 117 -3.270 7.027 2.608 1.00 0.32 H new ATOM 0 HA SER A 117 -5.869 6.295 3.814 1.00 0.29 H new ATOM 0 HB2 SER A 117 -4.271 7.734 5.139 1.00 0.35 H new ATOM 0 HB3 SER A 117 -4.399 8.953 3.886 1.00 0.35 H new ATOM 0 HG SER A 117 -6.841 7.960 4.836 1.00 0.97 H new ATOM 1881 N ILE A 118 -7.187 7.147 1.950 1.00 0.19 N ATOM 1882 CA ILE A 118 -8.057 7.658 0.919 1.00 0.21 C ATOM 1883 C ILE A 118 -9.060 8.612 1.555 1.00 0.32 C ATOM 1884 O ILE A 118 -9.701 8.282 2.553 1.00 0.38 O ATOM 1885 CB ILE A 118 -8.787 6.510 0.180 1.00 0.23 C ATOM 1886 CG1 ILE A 118 -9.624 7.064 -0.970 1.00 0.29 C ATOM 1887 CG2 ILE A 118 -9.659 5.706 1.139 1.00 0.28 C ATOM 1888 CD1 ILE A 118 -10.239 5.996 -1.850 1.00 0.35 C ATOM 0 H ILE A 118 -7.595 6.395 2.505 1.00 0.19 H new ATOM 0 HA ILE A 118 -7.461 8.190 0.178 1.00 0.21 H new ATOM 0 HB ILE A 118 -8.033 5.839 -0.230 1.00 0.23 H new ATOM 0 HG12 ILE A 118 -10.420 7.686 -0.561 1.00 0.29 H new ATOM 0 HG13 ILE A 118 -8.997 7.711 -1.584 1.00 0.29 H new ATOM 0 HG21 ILE A 118 -10.159 4.907 0.592 1.00 0.28 H new ATOM 0 HG22 ILE A 118 -9.036 5.275 1.923 1.00 0.28 H new ATOM 0 HG23 ILE A 118 -10.406 6.361 1.588 1.00 0.28 H new ATOM 0 HD11 ILE A 118 -10.818 6.468 -2.644 1.00 0.35 H new ATOM 0 HD12 ILE A 118 -9.449 5.388 -2.290 1.00 0.35 H new ATOM 0 HD13 ILE A 118 -10.893 5.363 -1.251 1.00 0.35 H new ATOM 1900 N GLU A 119 -9.174 9.805 1.015 1.00 0.45 N ATOM 1901 CA GLU A 119 -10.035 10.800 1.621 1.00 0.61 C ATOM 1902 C GLU A 119 -11.476 10.622 1.150 1.00 0.83 C ATOM 1903 O GLU A 119 -11.748 10.549 -0.047 1.00 0.96 O ATOM 1904 CB GLU A 119 -9.517 12.211 1.333 1.00 0.82 C ATOM 1905 CG GLU A 119 -9.183 12.470 -0.126 1.00 1.47 C ATOM 1906 CD GLU A 119 -8.486 13.799 -0.329 1.00 1.78 C ATOM 1907 OE1 GLU A 119 -9.181 14.828 -0.456 1.00 2.44 O ATOM 1908 OE2 GLU A 119 -7.239 13.825 -0.362 1.00 1.66 O ATOM 0 H GLU A 119 -8.690 10.109 0.170 1.00 0.45 H new ATOM 0 HA GLU A 119 -10.022 10.660 2.702 1.00 0.61 H new ATOM 0 HB2 GLU A 119 -10.267 12.933 1.655 1.00 0.82 H new ATOM 0 HB3 GLU A 119 -8.625 12.388 1.934 1.00 0.82 H new ATOM 0 HG2 GLU A 119 -8.546 11.668 -0.499 1.00 1.47 H new ATOM 0 HG3 GLU A 119 -10.100 12.449 -0.715 1.00 1.47 H new ATOM 1915 N GLU A 120 -12.397 10.530 2.106 1.00 1.06 N ATOM 1916 CA GLU A 120 -13.808 10.311 1.798 1.00 1.32 C ATOM 1917 C GLU A 120 -14.472 11.609 1.363 1.00 1.65 C ATOM 1918 O GLU A 120 -15.567 11.606 0.794 1.00 1.92 O ATOM 1919 CB GLU A 120 -14.539 9.719 3.008 1.00 1.73 C ATOM 1920 CG GLU A 120 -14.528 10.613 4.238 1.00 2.13 C ATOM 1921 CD GLU A 120 -15.187 9.968 5.440 1.00 2.61 C ATOM 1922 OE1 GLU A 120 -16.427 10.041 5.560 1.00 3.11 O ATOM 1923 OE2 GLU A 120 -14.469 9.393 6.278 1.00 2.72 O ATOM 0 H GLU A 120 -12.191 10.604 3.102 1.00 1.06 H new ATOM 0 HA GLU A 120 -13.869 9.600 0.974 1.00 1.32 H new ATOM 0 HB2 GLU A 120 -15.573 9.514 2.730 1.00 1.73 H new ATOM 0 HB3 GLU A 120 -14.082 8.763 3.263 1.00 1.73 H new ATOM 0 HG2 GLU A 120 -13.498 10.867 4.487 1.00 2.13 H new ATOM 0 HG3 GLU A 120 -15.040 11.547 4.007 1.00 2.13 H new ATOM 1930 N GLY A 121 -13.793 12.716 1.623 1.00 1.79 N ATOM 1931 CA GLY A 121 -14.300 14.017 1.245 1.00 2.29 C ATOM 1932 C GLY A 121 -14.010 14.345 -0.206 1.00 2.43 C ATOM 1933 O GLY A 121 -13.482 15.414 -0.515 1.00 3.05 O ATOM 0 H GLY A 121 -12.889 12.735 2.095 1.00 1.79 H new ATOM 0 HA2 GLY A 121 -15.376 14.049 1.415 1.00 2.29 H new ATOM 0 HA3 GLY A 121 -13.854 14.779 1.884 1.00 2.29 H new ATOM 1937 N GLN A 122 -14.336 13.412 -1.091 1.00 2.55 N ATOM 1938 CA GLN A 122 -14.170 13.616 -2.525 1.00 3.50 C ATOM 1939 C GLN A 122 -15.194 14.617 -3.031 1.00 4.00 C ATOM 1940 O GLN A 122 -14.849 15.631 -3.640 1.00 4.71 O ATOM 1941 CB GLN A 122 -14.328 12.288 -3.274 1.00 4.26 C ATOM 1942 CG GLN A 122 -13.199 11.301 -3.032 1.00 4.41 C ATOM 1943 CD GLN A 122 -11.910 11.709 -3.718 1.00 5.12 C ATOM 1944 OE1 GLN A 122 -11.093 12.429 -3.153 1.00 5.26 O ATOM 1945 NE2 GLN A 122 -11.721 11.240 -4.941 1.00 5.89 N ATOM 0 H GLN A 122 -14.719 12.501 -0.839 1.00 2.55 H new ATOM 0 HA GLN A 122 -13.169 14.006 -2.707 1.00 3.50 H new ATOM 0 HB2 GLN A 122 -15.270 11.826 -2.978 1.00 4.26 H new ATOM 0 HB3 GLN A 122 -14.395 12.492 -4.343 1.00 4.26 H new ATOM 0 HG2 GLN A 122 -13.023 11.212 -1.960 1.00 4.41 H new ATOM 0 HG3 GLN A 122 -13.500 10.316 -3.389 1.00 4.41 H new ATOM 0 HE21 GLN A 122 -12.427 10.644 -5.373 1.00 5.89 H new ATOM 0 HE22 GLN A 122 -10.869 11.474 -5.451 1.00 5.89 H new ATOM 1954 N ALA A 123 -16.449 14.318 -2.749 1.00 4.01 N ATOM 1955 CA ALA A 123 -17.570 15.159 -3.135 1.00 4.97 C ATOM 1956 C ALA A 123 -18.846 14.629 -2.495 1.00 5.11 C ATOM 1957 O ALA A 123 -19.186 15.082 -1.385 1.00 5.43 O ATOM 1958 CB ALA A 123 -17.714 15.208 -4.649 1.00 5.74 C ATOM 1959 OXT ALA A 123 -19.482 13.727 -3.085 1.00 5.29 O ATOM 0 H ALA A 123 -16.722 13.477 -2.241 1.00 4.01 H new ATOM 0 HA ALA A 123 -17.387 16.175 -2.784 1.00 4.97 H new ATOM 0 HB1 ALA A 123 -18.559 15.843 -4.914 1.00 5.74 H new ATOM 0 HB2 ALA A 123 -16.803 15.615 -5.088 1.00 5.74 H new ATOM 0 HB3 ALA A 123 -17.883 14.201 -5.031 1.00 5.74 H new TER 1965 ALA A 123 ATOM 1966 P A B 204 12.351 2.797 -3.928 1.00 0.94 P ATOM 1967 OP1 A B 204 12.511 1.418 -4.450 1.00 1.39 O ATOM 1968 OP2 A B 204 12.238 3.927 -4.878 1.00 1.43 O ATOM 1969 O5' A B 204 11.089 2.832 -2.954 1.00 0.74 O ATOM 1970 C5' A B 204 9.979 3.705 -3.148 1.00 0.54 C ATOM 1971 C4' A B 204 9.861 4.629 -1.962 1.00 0.57 C ATOM 1972 O4' A B 204 10.724 5.770 -2.188 1.00 0.80 O ATOM 1973 C3' A B 204 8.481 5.223 -1.726 1.00 0.71 C ATOM 1974 O3' A B 204 8.297 5.573 -0.357 1.00 0.83 O ATOM 1975 C2' A B 204 8.483 6.456 -2.621 1.00 0.92 C ATOM 1976 O2' A B 204 7.650 7.472 -2.103 1.00 1.25 O ATOM 1977 C1' A B 204 9.945 6.903 -2.525 1.00 0.96 C ATOM 1978 N9 A B 204 10.480 7.475 -3.760 1.00 1.03 N ATOM 1979 C8 A B 204 11.795 7.729 -4.059 1.00 1.20 C ATOM 1980 N7 A B 204 11.979 8.251 -5.249 1.00 1.33 N ATOM 1981 C5 A B 204 10.697 8.351 -5.769 1.00 1.23 C ATOM 1982 C6 A B 204 10.211 8.827 -7.000 1.00 1.33 C ATOM 1983 N6 A B 204 10.996 9.304 -7.969 1.00 1.54 N ATOM 1984 N1 A B 204 8.878 8.786 -7.208 1.00 1.27 N ATOM 1985 C2 A B 204 8.093 8.301 -6.238 1.00 1.14 C ATOM 1986 N3 A B 204 8.432 7.822 -5.041 1.00 1.03 N ATOM 1987 C4 A B 204 9.763 7.877 -4.865 1.00 1.06 C ATOM 0 H5' A B 204 9.063 3.127 -3.266 1.00 0.54 H new ATOM 0 H5'' A B 204 10.111 4.283 -4.063 1.00 0.54 H new ATOM 0 H4' A B 204 10.116 4.011 -1.101 1.00 0.57 H new ATOM 0 H3' A B 204 7.670 4.532 -1.953 1.00 0.71 H new ATOM 0 H2' A B 204 8.123 6.256 -3.630 1.00 0.92 H new ATOM 0 HO2' A B 204 7.415 7.261 -1.175 1.00 1.25 H new ATOM 0 H1' A B 204 9.988 7.691 -1.773 1.00 0.96 H new ATOM 0 H8 A B 204 12.605 7.518 -3.377 1.00 1.20 H new ATOM 0 H61 A B 204 10.585 9.636 -8.842 1.00 1.54 H new ATOM 0 H62 A B 204 12.007 9.337 -7.837 1.00 1.54 H new ATOM 0 H2 A B 204 7.035 8.297 -6.456 1.00 1.14 H new ATOM 1999 P C B 205 7.652 4.515 0.668 1.00 0.79 P ATOM 2000 OP1 C B 205 6.680 5.260 1.509 1.00 1.29 O ATOM 2001 OP2 C B 205 8.758 3.767 1.319 1.00 0.93 O ATOM 2002 O5' C B 205 6.832 3.516 -0.264 1.00 0.93 O ATOM 2003 C5' C B 205 7.113 2.117 -0.294 1.00 0.77 C ATOM 2004 C4' C B 205 7.533 1.711 -1.687 1.00 0.68 C ATOM 2005 O4' C B 205 8.979 1.699 -1.742 1.00 0.58 O ATOM 2006 C3' C B 205 7.086 0.322 -2.143 1.00 0.90 C ATOM 2007 O3' C B 205 6.395 0.385 -3.384 1.00 1.30 O ATOM 2008 C2' C B 205 8.379 -0.479 -2.288 1.00 0.66 C ATOM 2009 O2' C B 205 8.331 -1.365 -3.389 1.00 0.92 O ATOM 2010 C1' C B 205 9.380 0.636 -2.575 1.00 0.54 C ATOM 2011 N1 C B 205 10.776 0.280 -2.255 1.00 0.66 N ATOM 2012 C2 C B 205 11.411 -0.721 -2.999 1.00 0.97 C ATOM 2013 O2 C B 205 10.791 -1.280 -3.915 1.00 1.09 O ATOM 2014 N3 C B 205 12.691 -1.050 -2.707 1.00 1.23 N ATOM 2015 C4 C B 205 13.333 -0.424 -1.719 1.00 1.21 C ATOM 2016 N4 C B 205 14.597 -0.779 -1.467 1.00 1.53 N ATOM 2017 C5 C B 205 12.712 0.597 -0.944 1.00 0.96 C ATOM 2018 C6 C B 205 11.445 0.915 -1.244 1.00 0.71 C ATOM 0 H5' C B 205 6.231 1.553 0.009 1.00 0.77 H new ATOM 0 H5'' C B 205 7.903 1.880 0.418 1.00 0.77 H new ATOM 0 H4' C B 205 7.053 2.437 -2.343 1.00 0.68 H new ATOM 0 H3' C B 205 6.394 -0.132 -1.434 1.00 0.90 H new ATOM 0 H2' C B 205 8.601 -1.103 -1.422 1.00 0.66 H new ATOM 0 HO2' C B 205 9.213 -1.408 -3.813 1.00 0.92 H new ATOM 0 HO3' C B 205 6.958 0.008 -4.092 1.00 1.30 H new ATOM 0 H1' C B 205 9.374 0.869 -3.640 1.00 0.54 H new ATOM 0 H41 C B 205 15.116 -0.320 -0.718 1.00 1.53 H new ATOM 0 H42 C B 205 15.042 -1.509 -2.023 1.00 1.53 H new ATOM 0 H5 C B 205 13.242 1.096 -0.146 1.00 0.96 H new ATOM 0 H6 C B 205 10.943 1.686 -0.678 1.00 0.71 H new TER 2031 C B 205