USER MOD reduce.3.24.130724 H: found=0, std=0, add=1010, rem=0, adj=36 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 104 SER OG : rot 180:sc= 0.748 USER MOD Set 1.2: A 107 LYS NZ :NH3+ 147:sc= 0.931 (180deg=-1.98!) USER MOD Set 2.1: A 80 THR OG1 : rot 180:sc= 0.985 USER MOD Set 2.2: A 83 SER OG : rot 85:sc= 0.49 USER MOD Set 3.1: A 71 THR OG1 : rot -150:sc= 0.396 USER MOD Set 3.2: A 78 LYS NZ :NH3+ -131:sc= 0.244 (180deg=-0.122) USER MOD Set 4.1: A 57 TYR OH : rot -7:sc= 0.0249 USER MOD Set 4.2: B 204 A O2' : rot 17:sc= 0.189 USER MOD Set 5.1: A 25 ASN : amide:sc= 1.15 K(o=2.2,f=0.31) USER MOD Set 5.2: A 96 GLN : amide:sc= 1.06 K(o=2.2,f=0.31) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -162:sc= 0 (180deg=-0.169) USER MOD Single : A 5 MET CE :methyl 164:sc= -5.25! (180deg=-6.1!) USER MOD Single : A 7 MET CE :methyl 157:sc= -1.4 (180deg=-2.58!) USER MOD Single : A 10 TYR OH : rot 30:sc= -0.0602 USER MOD Single : A 15 SER OG : rot -150:sc= -0.258 USER MOD Single : A 17 LYS NZ :NH3+ -156:sc= 0.0242 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0.406 X(o=0.41,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.0888 K(o=-0.089,f=-0.66) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -72:sc= 1.21 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -90:sc= -1.34 USER MOD Single : A 41 ASN : amide:sc= -0.0227 X(o=-0.023,f=-0.067) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 42:sc= 0.508 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 140:sc= 0.803 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 52 SER OG : rot 31:sc= 0.203 USER MOD Single : A 60 ASN : amide:sc=-0.00135 X(o=-0.0013,f=0) USER MOD Single : A 63 SER OG : rot -110:sc= -0.63 USER MOD Single : A 68 SER OG : rot -37:sc= 0.2 USER MOD Single : A 69 SER OG : rot -44:sc= 0.605 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -1.34! K(o=-1.3!,f=-0.044) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.324 K(o=-0.32,f=-1.1) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -151:sc= 1.19 (180deg=1.05) USER MOD Single : A 98 HIS : no HD1:sc= -1.74 X(o=-1.7,f=-1.7) USER MOD Single : A 99 CYS SG : rot 162:sc= -3.24! USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 105 SER OG : rot -46:sc= 0.00761 USER MOD Single : A 108 SER OG : rot 42:sc= 0.376 USER MOD Single : A 116 CYS SG : rot 42:sc= 0.0979 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= -1.63! C(o=-1.6!,f=-6.8!) USER MOD Single : B 205 C O2' : rot 157:sc= 1.19 USER MOD Single : B 205 C O3' : rot 120:sc= -4.58! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.729 19.507 9.874 1.00 4.50 N ATOM 2 CA GLY A 1 -8.953 19.104 9.142 1.00 3.82 C ATOM 3 C GLY A 1 -8.627 18.271 7.920 1.00 3.11 C ATOM 4 O GLY A 1 -7.892 18.721 7.040 1.00 3.68 O ATOM 0 H1 GLY A 1 -7.992 20.076 10.704 1.00 4.50 H new ATOM 0 H2 GLY A 1 -7.215 18.658 10.185 1.00 4.50 H new ATOM 0 H3 GLY A 1 -7.120 20.071 9.247 1.00 4.50 H new ATOM 0 HA2 GLY A 1 -9.604 18.536 9.807 1.00 3.82 H new ATOM 0 HA3 GLY A 1 -9.505 19.994 8.839 1.00 3.82 H new ATOM 10 N ALA A 2 -9.168 17.062 7.861 1.00 2.29 N ATOM 11 CA ALA A 2 -8.856 16.141 6.776 1.00 2.08 C ATOM 12 C ALA A 2 -10.085 15.337 6.369 1.00 1.48 C ATOM 13 O ALA A 2 -11.034 15.201 7.142 1.00 1.84 O ATOM 14 CB ALA A 2 -7.730 15.203 7.194 1.00 2.71 C ATOM 0 H ALA A 2 -9.824 16.696 8.551 1.00 2.29 H new ATOM 0 HA ALA A 2 -8.533 16.726 5.915 1.00 2.08 H new ATOM 0 HB1 ALA A 2 -7.504 14.519 6.376 1.00 2.71 H new ATOM 0 HB2 ALA A 2 -6.841 15.786 7.435 1.00 2.71 H new ATOM 0 HB3 ALA A 2 -8.038 14.632 8.070 1.00 2.71 H new ATOM 20 N MET A 3 -10.060 14.806 5.155 1.00 1.46 N ATOM 21 CA MET A 3 -11.139 13.962 4.659 1.00 1.11 C ATOM 22 C MET A 3 -10.597 12.567 4.424 1.00 0.83 C ATOM 23 O MET A 3 -11.154 11.774 3.661 1.00 0.86 O ATOM 24 CB MET A 3 -11.712 14.526 3.355 1.00 1.57 C ATOM 25 CG MET A 3 -12.121 15.988 3.435 1.00 2.17 C ATOM 26 SD MET A 3 -13.491 16.275 4.570 1.00 3.21 S ATOM 27 CE MET A 3 -13.637 18.057 4.467 1.00 4.12 C ATOM 0 H MET A 3 -9.299 14.946 4.491 1.00 1.46 H new ATOM 0 HA MET A 3 -11.941 13.933 5.396 1.00 1.11 H new ATOM 0 HB2 MET A 3 -10.970 14.411 2.565 1.00 1.57 H new ATOM 0 HB3 MET A 3 -12.580 13.933 3.066 1.00 1.57 H new ATOM 0 HG2 MET A 3 -11.264 16.583 3.751 1.00 2.17 H new ATOM 0 HG3 MET A 3 -12.401 16.336 2.441 1.00 2.17 H new ATOM 0 HE1 MET A 3 -14.202 18.426 5.323 1.00 4.12 H new ATOM 0 HE2 MET A 3 -12.643 18.504 4.468 1.00 4.12 H new ATOM 0 HE3 MET A 3 -14.155 18.327 3.547 1.00 4.12 H new ATOM 37 N ALA A 4 -9.503 12.283 5.105 1.00 0.78 N ATOM 38 CA ALA A 4 -8.742 11.067 4.890 1.00 0.62 C ATOM 39 C ALA A 4 -9.409 9.861 5.527 1.00 0.57 C ATOM 40 O ALA A 4 -9.672 9.843 6.729 1.00 0.79 O ATOM 41 CB ALA A 4 -7.327 11.232 5.424 1.00 0.73 C ATOM 0 H ALA A 4 -9.116 12.892 5.826 1.00 0.78 H new ATOM 0 HA ALA A 4 -8.702 10.889 3.815 1.00 0.62 H new ATOM 0 HB1 ALA A 4 -6.766 10.313 5.257 1.00 0.73 H new ATOM 0 HB2 ALA A 4 -6.836 12.056 4.906 1.00 0.73 H new ATOM 0 HB3 ALA A 4 -7.364 11.446 6.492 1.00 0.73 H new ATOM 47 N MET A 5 -9.695 8.870 4.703 1.00 0.40 N ATOM 48 CA MET A 5 -10.215 7.600 5.171 1.00 0.39 C ATOM 49 C MET A 5 -9.146 6.532 5.064 1.00 0.36 C ATOM 50 O MET A 5 -8.612 6.306 3.985 1.00 0.38 O ATOM 51 CB MET A 5 -11.418 7.172 4.330 1.00 0.41 C ATOM 52 CG MET A 5 -12.689 7.942 4.625 1.00 0.47 C ATOM 53 SD MET A 5 -14.131 7.206 3.838 1.00 0.54 S ATOM 54 CE MET A 5 -14.055 5.561 4.537 1.00 1.31 C ATOM 0 H MET A 5 -9.573 8.923 3.692 1.00 0.40 H new ATOM 0 HA MET A 5 -10.521 7.720 6.210 1.00 0.39 H new ATOM 0 HB2 MET A 5 -11.171 7.292 3.275 1.00 0.41 H new ATOM 0 HB3 MET A 5 -11.603 6.111 4.495 1.00 0.41 H new ATOM 0 HG2 MET A 5 -12.846 7.981 5.703 1.00 0.47 H new ATOM 0 HG3 MET A 5 -12.576 8.971 4.282 1.00 0.47 H new ATOM 0 HE1 MET A 5 -15.011 5.059 4.391 1.00 1.31 H new ATOM 0 HE2 MET A 5 -13.267 4.992 4.043 1.00 1.31 H new ATOM 0 HE3 MET A 5 -13.840 5.628 5.603 1.00 1.31 H new ATOM 64 N PRO A 6 -8.802 5.865 6.171 1.00 0.38 N ATOM 65 CA PRO A 6 -7.901 4.718 6.118 1.00 0.37 C ATOM 66 C PRO A 6 -8.427 3.702 5.114 1.00 0.32 C ATOM 67 O PRO A 6 -9.566 3.249 5.226 1.00 0.30 O ATOM 68 CB PRO A 6 -7.934 4.158 7.540 1.00 0.47 C ATOM 69 CG PRO A 6 -8.355 5.307 8.395 1.00 0.53 C ATOM 70 CD PRO A 6 -9.251 6.164 7.542 1.00 0.49 C ATOM 0 HA PRO A 6 -6.889 4.973 5.803 1.00 0.37 H new ATOM 0 HB2 PRO A 6 -8.635 3.327 7.621 1.00 0.47 H new ATOM 0 HB3 PRO A 6 -6.956 3.780 7.839 1.00 0.47 H new ATOM 0 HG2 PRO A 6 -8.882 4.958 9.283 1.00 0.53 H new ATOM 0 HG3 PRO A 6 -7.489 5.873 8.740 1.00 0.53 H new ATOM 0 HD2 PRO A 6 -10.302 5.913 7.685 1.00 0.49 H new ATOM 0 HD3 PRO A 6 -9.141 7.222 7.780 1.00 0.49 H new ATOM 78 N MET A 7 -7.611 3.374 4.118 1.00 0.31 N ATOM 79 CA MET A 7 -8.078 2.594 2.977 1.00 0.28 C ATOM 80 C MET A 7 -8.620 1.228 3.382 1.00 0.27 C ATOM 81 O MET A 7 -9.472 0.674 2.693 1.00 0.29 O ATOM 82 CB MET A 7 -6.983 2.439 1.929 1.00 0.30 C ATOM 83 CG MET A 7 -6.655 3.721 1.190 1.00 0.33 C ATOM 84 SD MET A 7 -5.837 3.417 -0.384 1.00 1.17 S ATOM 85 CE MET A 7 -7.120 2.513 -1.247 1.00 0.48 C ATOM 0 H MET A 7 -6.626 3.635 4.077 1.00 0.31 H new ATOM 0 HA MET A 7 -8.905 3.155 2.541 1.00 0.28 H new ATOM 0 HB2 MET A 7 -6.079 2.069 2.414 1.00 0.30 H new ATOM 0 HB3 MET A 7 -7.290 1.683 1.206 1.00 0.30 H new ATOM 0 HG2 MET A 7 -7.573 4.282 1.017 1.00 0.33 H new ATOM 0 HG3 MET A 7 -6.014 4.343 1.815 1.00 0.33 H new ATOM 0 HE1 MET A 7 -6.966 2.600 -2.323 1.00 0.48 H new ATOM 0 HE2 MET A 7 -7.082 1.463 -0.959 1.00 0.48 H new ATOM 0 HE3 MET A 7 -8.094 2.926 -0.986 1.00 0.48 H new ATOM 95 N ILE A 8 -8.136 0.687 4.492 1.00 0.26 N ATOM 96 CA ILE A 8 -8.684 -0.554 5.020 1.00 0.25 C ATOM 97 C ILE A 8 -10.121 -0.329 5.497 1.00 0.24 C ATOM 98 O ILE A 8 -11.022 -1.091 5.153 1.00 0.26 O ATOM 99 CB ILE A 8 -7.814 -1.116 6.169 1.00 0.23 C ATOM 100 CG1 ILE A 8 -6.426 -1.495 5.641 1.00 0.25 C ATOM 101 CG2 ILE A 8 -8.482 -2.314 6.828 1.00 0.25 C ATOM 102 CD1 ILE A 8 -6.456 -2.542 4.542 1.00 0.27 C ATOM 0 H ILE A 8 -7.372 1.084 5.040 1.00 0.26 H new ATOM 0 HA ILE A 8 -8.684 -1.292 4.218 1.00 0.25 H new ATOM 0 HB ILE A 8 -7.703 -0.339 6.926 1.00 0.23 H new ATOM 0 HG12 ILE A 8 -5.933 -0.599 5.264 1.00 0.25 H new ATOM 0 HG13 ILE A 8 -5.821 -1.867 6.468 1.00 0.25 H new ATOM 0 HG21 ILE A 8 -7.848 -2.688 7.632 1.00 0.25 H new ATOM 0 HG22 ILE A 8 -9.447 -2.013 7.237 1.00 0.25 H new ATOM 0 HG23 ILE A 8 -8.631 -3.100 6.088 1.00 0.25 H new ATOM 0 HD11 ILE A 8 -5.438 -2.759 4.219 1.00 0.27 H new ATOM 0 HD12 ILE A 8 -6.919 -3.453 4.920 1.00 0.27 H new ATOM 0 HD13 ILE A 8 -7.033 -2.166 3.697 1.00 0.27 H new ATOM 114 N GLU A 9 -10.330 0.753 6.244 1.00 0.26 N ATOM 115 CA GLU A 9 -11.661 1.125 6.722 1.00 0.28 C ATOM 116 C GLU A 9 -12.592 1.389 5.542 1.00 0.26 C ATOM 117 O GLU A 9 -13.777 1.046 5.576 1.00 0.28 O ATOM 118 CB GLU A 9 -11.579 2.377 7.600 1.00 0.32 C ATOM 119 CG GLU A 9 -12.923 2.837 8.144 1.00 0.40 C ATOM 120 CD GLU A 9 -12.849 4.197 8.806 1.00 0.87 C ATOM 121 OE1 GLU A 9 -12.215 4.308 9.879 1.00 1.01 O ATOM 122 OE2 GLU A 9 -13.432 5.157 8.265 1.00 1.62 O ATOM 0 H GLU A 9 -9.589 1.392 6.533 1.00 0.26 H new ATOM 0 HA GLU A 9 -12.058 0.299 7.313 1.00 0.28 H new ATOM 0 HB2 GLU A 9 -10.908 2.179 8.436 1.00 0.32 H new ATOM 0 HB3 GLU A 9 -11.136 3.187 7.020 1.00 0.32 H new ATOM 0 HG2 GLU A 9 -13.647 2.872 7.330 1.00 0.40 H new ATOM 0 HG3 GLU A 9 -13.289 2.106 8.865 1.00 0.40 H new ATOM 129 N TYR A 10 -12.040 2.008 4.503 1.00 0.28 N ATOM 130 CA TYR A 10 -12.778 2.275 3.276 1.00 0.29 C ATOM 131 C TYR A 10 -13.348 0.964 2.722 1.00 0.28 C ATOM 132 O TYR A 10 -14.543 0.859 2.435 1.00 0.31 O ATOM 133 CB TYR A 10 -11.851 2.933 2.245 1.00 0.31 C ATOM 134 CG TYR A 10 -12.560 3.512 1.040 1.00 0.39 C ATOM 135 CD1 TYR A 10 -13.070 4.806 1.054 1.00 0.50 C ATOM 136 CD2 TYR A 10 -12.726 2.756 -0.115 1.00 0.47 C ATOM 137 CE1 TYR A 10 -13.724 5.330 -0.046 1.00 0.59 C ATOM 138 CE2 TYR A 10 -13.378 3.273 -1.220 1.00 0.57 C ATOM 139 CZ TYR A 10 -13.858 4.594 -1.173 1.00 0.60 C ATOM 140 OH TYR A 10 -14.523 5.079 -2.279 1.00 0.71 O ATOM 0 H TYR A 10 -11.074 2.336 4.489 1.00 0.28 H new ATOM 0 HA TYR A 10 -13.603 2.955 3.489 1.00 0.29 H new ATOM 0 HB2 TYR A 10 -11.289 3.727 2.736 1.00 0.31 H new ATOM 0 HB3 TYR A 10 -11.126 2.194 1.903 1.00 0.31 H new ATOM 0 HD1 TYR A 10 -12.953 5.412 1.940 1.00 0.50 H new ATOM 0 HD2 TYR A 10 -12.339 1.748 -0.150 1.00 0.47 H new ATOM 0 HE1 TYR A 10 -14.129 6.330 -0.005 1.00 0.59 H new ATOM 0 HE2 TYR A 10 -13.516 2.671 -2.106 1.00 0.57 H new ATOM 0 HH TYR A 10 -14.431 6.054 -2.315 1.00 0.71 H new ATOM 150 N LEU A 11 -12.483 -0.040 2.618 1.00 0.27 N ATOM 151 CA LEU A 11 -12.871 -1.353 2.107 1.00 0.28 C ATOM 152 C LEU A 11 -13.801 -2.083 3.067 1.00 0.28 C ATOM 153 O LEU A 11 -14.689 -2.810 2.629 1.00 0.31 O ATOM 154 CB LEU A 11 -11.637 -2.211 1.815 1.00 0.32 C ATOM 155 CG LEU A 11 -11.077 -2.086 0.392 1.00 0.55 C ATOM 156 CD1 LEU A 11 -10.680 -0.649 0.082 1.00 1.14 C ATOM 157 CD2 LEU A 11 -9.892 -3.020 0.209 1.00 1.24 C ATOM 0 H LEU A 11 -11.501 0.031 2.883 1.00 0.27 H new ATOM 0 HA LEU A 11 -13.414 -1.187 1.177 1.00 0.28 H new ATOM 0 HB2 LEU A 11 -10.852 -1.943 2.522 1.00 0.32 H new ATOM 0 HB3 LEU A 11 -11.889 -3.256 1.999 1.00 0.32 H new ATOM 0 HG LEU A 11 -11.861 -2.374 -0.309 1.00 0.55 H new ATOM 0 HD11 LEU A 11 -10.287 -0.591 -0.933 1.00 1.14 H new ATOM 0 HD12 LEU A 11 -11.554 -0.003 0.170 1.00 1.14 H new ATOM 0 HD13 LEU A 11 -9.915 -0.323 0.787 1.00 1.14 H new ATOM 0 HD21 LEU A 11 -9.504 -2.921 -0.805 1.00 1.24 H new ATOM 0 HD22 LEU A 11 -9.111 -2.761 0.923 1.00 1.24 H new ATOM 0 HD23 LEU A 11 -10.210 -4.049 0.377 1.00 1.24 H new ATOM 169 N GLU A 12 -13.612 -1.876 4.365 1.00 0.29 N ATOM 170 CA GLU A 12 -14.447 -2.526 5.368 1.00 0.34 C ATOM 171 C GLU A 12 -15.914 -2.193 5.130 1.00 0.39 C ATOM 172 O GLU A 12 -16.753 -3.076 4.968 1.00 0.43 O ATOM 173 CB GLU A 12 -14.046 -2.091 6.786 1.00 0.40 C ATOM 174 CG GLU A 12 -12.680 -2.592 7.228 1.00 0.39 C ATOM 175 CD GLU A 12 -12.326 -2.180 8.647 1.00 0.81 C ATOM 176 OE1 GLU A 12 -13.231 -2.148 9.508 1.00 1.22 O ATOM 177 OE2 GLU A 12 -11.144 -1.878 8.907 1.00 1.50 O ATOM 0 H GLU A 12 -12.890 -1.265 4.747 1.00 0.29 H new ATOM 0 HA GLU A 12 -14.300 -3.602 5.279 1.00 0.34 H new ATOM 0 HB2 GLU A 12 -14.055 -1.002 6.836 1.00 0.40 H new ATOM 0 HB3 GLU A 12 -14.797 -2.449 7.490 1.00 0.40 H new ATOM 0 HG2 GLU A 12 -12.657 -3.679 7.155 1.00 0.39 H new ATOM 0 HG3 GLU A 12 -11.921 -2.211 6.545 1.00 0.39 H new ATOM 184 N ARG A 13 -16.201 -0.907 5.078 1.00 0.40 N ATOM 185 CA ARG A 13 -17.572 -0.432 5.024 1.00 0.47 C ATOM 186 C ARG A 13 -18.183 -0.504 3.625 1.00 0.45 C ATOM 187 O ARG A 13 -19.317 -0.946 3.467 1.00 0.55 O ATOM 188 CB ARG A 13 -17.628 0.986 5.575 1.00 0.55 C ATOM 189 CG ARG A 13 -16.783 1.996 4.829 1.00 0.80 C ATOM 190 CD ARG A 13 -16.716 3.309 5.590 1.00 0.71 C ATOM 191 NE ARG A 13 -18.024 3.953 5.690 1.00 0.77 N ATOM 192 CZ ARG A 13 -18.233 5.129 6.284 1.00 0.92 C ATOM 193 NH1 ARG A 13 -17.233 5.759 6.892 1.00 1.19 N ATOM 194 NH2 ARG A 13 -19.445 5.668 6.278 1.00 1.10 N ATOM 0 H ARG A 13 -15.499 -0.167 5.072 1.00 0.40 H new ATOM 0 HA ARG A 13 -18.178 -1.097 5.640 1.00 0.47 H new ATOM 0 HB2 ARG A 13 -18.664 1.323 5.564 1.00 0.55 H new ATOM 0 HB3 ARG A 13 -17.310 0.968 6.617 1.00 0.55 H new ATOM 0 HG2 ARG A 13 -15.777 1.601 4.687 1.00 0.80 H new ATOM 0 HG3 ARG A 13 -17.202 2.166 3.837 1.00 0.80 H new ATOM 0 HD2 ARG A 13 -16.324 3.128 6.591 1.00 0.71 H new ATOM 0 HD3 ARG A 13 -16.018 3.982 5.091 1.00 0.71 H new ATOM 0 HE ARG A 13 -18.826 3.474 5.281 1.00 0.77 H new ATOM 0 HH11 ARG A 13 -16.302 5.343 6.906 1.00 1.19 H new ATOM 0 HH12 ARG A 13 -17.397 6.658 7.345 1.00 1.19 H new ATOM 0 HH21 ARG A 13 -20.216 5.183 5.819 1.00 1.10 H new ATOM 0 HH22 ARG A 13 -19.606 6.567 6.732 1.00 1.10 H new ATOM 208 N PHE A 14 -17.438 -0.073 2.618 1.00 0.40 N ATOM 209 CA PHE A 14 -17.991 0.033 1.266 1.00 0.42 C ATOM 210 C PHE A 14 -17.792 -1.238 0.451 1.00 0.43 C ATOM 211 O PHE A 14 -18.726 -1.730 -0.180 1.00 0.55 O ATOM 212 CB PHE A 14 -17.361 1.204 0.508 1.00 0.42 C ATOM 213 CG PHE A 14 -17.470 2.520 1.215 1.00 0.46 C ATOM 214 CD1 PHE A 14 -18.705 3.052 1.550 1.00 0.61 C ATOM 215 CD2 PHE A 14 -16.330 3.227 1.545 1.00 0.42 C ATOM 216 CE1 PHE A 14 -18.795 4.263 2.210 1.00 0.67 C ATOM 217 CE2 PHE A 14 -16.411 4.436 2.200 1.00 0.50 C ATOM 218 CZ PHE A 14 -17.644 4.957 2.534 1.00 0.60 C ATOM 0 H PHE A 14 -16.461 0.207 2.704 1.00 0.40 H new ATOM 0 HA PHE A 14 -19.061 0.198 1.391 1.00 0.42 H new ATOM 0 HB2 PHE A 14 -16.308 0.984 0.332 1.00 0.42 H new ATOM 0 HB3 PHE A 14 -17.837 1.288 -0.469 1.00 0.42 H new ATOM 0 HD1 PHE A 14 -19.606 2.515 1.293 1.00 0.61 H new ATOM 0 HD2 PHE A 14 -15.361 2.826 1.286 1.00 0.42 H new ATOM 0 HE1 PHE A 14 -19.762 4.666 2.472 1.00 0.67 H new ATOM 0 HE2 PHE A 14 -15.510 4.976 2.452 1.00 0.50 H new ATOM 0 HZ PHE A 14 -17.710 5.905 3.047 1.00 0.60 H new ATOM 228 N SER A 15 -16.579 -1.762 0.462 1.00 0.39 N ATOM 229 CA SER A 15 -16.208 -2.825 -0.467 1.00 0.46 C ATOM 230 C SER A 15 -16.620 -4.204 0.045 1.00 0.49 C ATOM 231 O SER A 15 -17.266 -4.978 -0.665 1.00 0.59 O ATOM 232 CB SER A 15 -14.701 -2.795 -0.706 1.00 0.47 C ATOM 233 OG SER A 15 -14.268 -1.489 -1.046 1.00 1.46 O ATOM 0 H SER A 15 -15.835 -1.474 1.098 1.00 0.39 H new ATOM 0 HA SER A 15 -16.740 -2.647 -1.402 1.00 0.46 H new ATOM 0 HB2 SER A 15 -14.180 -3.133 0.190 1.00 0.47 H new ATOM 0 HB3 SER A 15 -14.442 -3.488 -1.506 1.00 0.47 H new ATOM 0 HG SER A 15 -13.484 -1.546 -1.631 1.00 1.46 H new ATOM 239 N LEU A 16 -16.240 -4.503 1.276 1.00 0.45 N ATOM 240 CA LEU A 16 -16.494 -5.810 1.863 1.00 0.51 C ATOM 241 C LEU A 16 -17.840 -5.850 2.567 1.00 0.57 C ATOM 242 O LEU A 16 -18.462 -6.908 2.680 1.00 0.67 O ATOM 243 CB LEU A 16 -15.385 -6.179 2.846 1.00 0.54 C ATOM 244 CG LEU A 16 -14.148 -6.823 2.218 1.00 0.57 C ATOM 245 CD1 LEU A 16 -14.499 -8.162 1.584 1.00 1.13 C ATOM 246 CD2 LEU A 16 -13.501 -5.901 1.196 1.00 1.33 C ATOM 0 H LEU A 16 -15.751 -3.854 1.893 1.00 0.45 H new ATOM 0 HA LEU A 16 -16.511 -6.537 1.051 1.00 0.51 H new ATOM 0 HB2 LEU A 16 -15.077 -5.278 3.376 1.00 0.54 H new ATOM 0 HB3 LEU A 16 -15.793 -6.863 3.590 1.00 0.54 H new ATOM 0 HG LEU A 16 -13.426 -6.997 3.016 1.00 0.57 H new ATOM 0 HD11 LEU A 16 -13.604 -8.602 1.144 1.00 1.13 H new ATOM 0 HD12 LEU A 16 -14.895 -8.833 2.346 1.00 1.13 H new ATOM 0 HD13 LEU A 16 -15.249 -8.011 0.808 1.00 1.13 H new ATOM 0 HD21 LEU A 16 -12.625 -6.389 0.769 1.00 1.33 H new ATOM 0 HD22 LEU A 16 -14.215 -5.679 0.403 1.00 1.33 H new ATOM 0 HD23 LEU A 16 -13.199 -4.974 1.683 1.00 1.33 H new ATOM 258 N LYS A 17 -18.283 -4.675 3.020 1.00 0.56 N ATOM 259 CA LYS A 17 -19.498 -4.536 3.828 1.00 0.66 C ATOM 260 C LYS A 17 -19.332 -5.279 5.150 1.00 0.72 C ATOM 261 O LYS A 17 -20.310 -5.627 5.815 1.00 0.83 O ATOM 262 CB LYS A 17 -20.738 -5.043 3.076 1.00 0.75 C ATOM 263 CG LYS A 17 -20.996 -4.327 1.756 1.00 0.77 C ATOM 264 CD LYS A 17 -21.158 -2.828 1.943 1.00 1.12 C ATOM 265 CE LYS A 17 -22.445 -2.485 2.670 1.00 1.28 C ATOM 266 NZ LYS A 17 -22.546 -1.028 2.953 1.00 2.11 N ATOM 0 H LYS A 17 -17.809 -3.791 2.837 1.00 0.56 H new ATOM 0 HA LYS A 17 -19.650 -3.476 4.031 1.00 0.66 H new ATOM 0 HB2 LYS A 17 -20.623 -6.110 2.883 1.00 0.75 H new ATOM 0 HB3 LYS A 17 -21.612 -4.928 3.717 1.00 0.75 H new ATOM 0 HG2 LYS A 17 -20.170 -4.520 1.072 1.00 0.77 H new ATOM 0 HG3 LYS A 17 -21.895 -4.734 1.293 1.00 0.77 H new ATOM 0 HD2 LYS A 17 -20.309 -2.438 2.504 1.00 1.12 H new ATOM 0 HD3 LYS A 17 -21.149 -2.337 0.970 1.00 1.12 H new ATOM 0 HE2 LYS A 17 -23.298 -2.799 2.068 1.00 1.28 H new ATOM 0 HE3 LYS A 17 -22.494 -3.042 3.606 1.00 1.28 H new ATOM 0 HZ1 LYS A 17 -23.180 -0.875 3.763 1.00 2.11 H new ATOM 0 HZ2 LYS A 17 -21.603 -0.651 3.176 1.00 2.11 H new ATOM 0 HZ3 LYS A 17 -22.926 -0.538 2.118 1.00 2.11 H new ATOM 280 N ALA A 18 -18.076 -5.485 5.519 1.00 0.68 N ATOM 281 CA ALA A 18 -17.708 -6.232 6.706 1.00 0.75 C ATOM 282 C ALA A 18 -16.306 -5.826 7.135 1.00 0.72 C ATOM 283 O ALA A 18 -15.494 -5.413 6.305 1.00 0.96 O ATOM 284 CB ALA A 18 -17.770 -7.730 6.431 1.00 0.78 C ATOM 0 H ALA A 18 -17.276 -5.132 4.994 1.00 0.68 H new ATOM 0 HA ALA A 18 -18.410 -6.007 7.509 1.00 0.75 H new ATOM 0 HB1 ALA A 18 -17.491 -8.277 7.332 1.00 0.78 H new ATOM 0 HB2 ALA A 18 -18.784 -8.005 6.139 1.00 0.78 H new ATOM 0 HB3 ALA A 18 -17.080 -7.981 5.626 1.00 0.78 H new ATOM 290 N LYS A 19 -16.033 -5.946 8.420 1.00 0.64 N ATOM 291 CA LYS A 19 -14.775 -5.489 8.993 1.00 0.62 C ATOM 292 C LYS A 19 -13.610 -6.373 8.577 1.00 0.55 C ATOM 293 O LYS A 19 -13.669 -7.602 8.680 1.00 0.61 O ATOM 294 CB LYS A 19 -14.887 -5.451 10.517 1.00 0.72 C ATOM 295 CG LYS A 19 -13.635 -4.953 11.221 1.00 0.76 C ATOM 296 CD LYS A 19 -13.883 -4.763 12.708 1.00 1.24 C ATOM 297 CE LYS A 19 -14.992 -3.753 12.953 1.00 2.05 C ATOM 298 NZ LYS A 19 -15.321 -3.619 14.394 1.00 2.59 N ATOM 0 H LYS A 19 -16.673 -6.361 9.097 1.00 0.64 H new ATOM 0 HA LYS A 19 -14.578 -4.487 8.613 1.00 0.62 H new ATOM 0 HB2 LYS A 19 -15.725 -4.810 10.793 1.00 0.72 H new ATOM 0 HB3 LYS A 19 -15.119 -6.453 10.878 1.00 0.72 H new ATOM 0 HG2 LYS A 19 -12.823 -5.665 11.073 1.00 0.76 H new ATOM 0 HG3 LYS A 19 -13.316 -4.009 10.779 1.00 0.76 H new ATOM 0 HD2 LYS A 19 -14.150 -5.718 13.160 1.00 1.24 H new ATOM 0 HD3 LYS A 19 -12.967 -4.426 13.193 1.00 1.24 H new ATOM 0 HE2 LYS A 19 -14.690 -2.782 12.559 1.00 2.05 H new ATOM 0 HE3 LYS A 19 -15.884 -4.056 12.405 1.00 2.05 H new ATOM 0 HZ1 LYS A 19 -16.082 -2.920 14.513 1.00 2.59 H new ATOM 0 HZ2 LYS A 19 -15.634 -4.538 14.766 1.00 2.59 H new ATOM 0 HZ3 LYS A 19 -14.478 -3.304 14.915 1.00 2.59 H new ATOM 312 N ILE A 20 -12.560 -5.724 8.102 1.00 0.48 N ATOM 313 CA ILE A 20 -11.317 -6.390 7.760 1.00 0.45 C ATOM 314 C ILE A 20 -10.663 -6.943 9.021 1.00 0.54 C ATOM 315 O ILE A 20 -10.394 -6.204 9.971 1.00 0.61 O ATOM 316 CB ILE A 20 -10.351 -5.416 7.055 1.00 0.41 C ATOM 317 CG1 ILE A 20 -10.884 -5.031 5.668 1.00 0.34 C ATOM 318 CG2 ILE A 20 -8.950 -6.014 6.942 1.00 0.47 C ATOM 319 CD1 ILE A 20 -10.847 -6.158 4.660 1.00 0.30 C ATOM 0 H ILE A 20 -12.547 -4.717 7.943 1.00 0.48 H new ATOM 0 HA ILE A 20 -11.541 -7.210 7.077 1.00 0.45 H new ATOM 0 HB ILE A 20 -10.285 -4.514 7.663 1.00 0.41 H new ATOM 0 HG12 ILE A 20 -11.911 -4.681 5.769 1.00 0.34 H new ATOM 0 HG13 ILE A 20 -10.299 -4.195 5.285 1.00 0.34 H new ATOM 0 HG21 ILE A 20 -8.291 -5.305 6.441 1.00 0.47 H new ATOM 0 HG22 ILE A 20 -8.564 -6.226 7.939 1.00 0.47 H new ATOM 0 HG23 ILE A 20 -8.994 -6.938 6.366 1.00 0.47 H new ATOM 0 HD11 ILE A 20 -11.240 -5.806 3.706 1.00 0.30 H new ATOM 0 HD12 ILE A 20 -9.819 -6.494 4.527 1.00 0.30 H new ATOM 0 HD13 ILE A 20 -11.456 -6.988 5.019 1.00 0.30 H new ATOM 331 N ASN A 21 -10.422 -8.240 9.020 1.00 0.59 N ATOM 332 CA ASN A 21 -9.832 -8.913 10.163 1.00 0.73 C ATOM 333 C ASN A 21 -8.551 -9.618 9.744 1.00 0.75 C ATOM 334 O ASN A 21 -8.263 -9.747 8.557 1.00 0.71 O ATOM 335 CB ASN A 21 -10.824 -9.910 10.766 1.00 0.83 C ATOM 336 CG ASN A 21 -11.841 -9.250 11.680 1.00 1.27 C ATOM 337 OD1 ASN A 21 -11.626 -9.142 12.888 1.00 1.96 O ATOM 338 ND2 ASN A 21 -12.953 -8.801 11.117 1.00 1.76 N ATOM 0 H ASN A 21 -10.628 -8.854 8.232 1.00 0.59 H new ATOM 0 HA ASN A 21 -9.590 -8.171 10.924 1.00 0.73 H new ATOM 0 HB2 ASN A 21 -11.347 -10.427 9.961 1.00 0.83 H new ATOM 0 HB3 ASN A 21 -10.276 -10.667 11.327 1.00 0.83 H new ATOM 0 HD21 ASN A 21 -13.667 -8.348 11.688 1.00 1.76 H new ATOM 0 HD22 ASN A 21 -13.096 -8.909 10.113 1.00 1.76 H new ATOM 345 N ASN A 22 -7.798 -10.086 10.727 1.00 0.88 N ATOM 346 CA ASN A 22 -6.443 -10.597 10.500 1.00 0.98 C ATOM 347 C ASN A 22 -6.426 -11.891 9.681 1.00 0.93 C ATOM 348 O ASN A 22 -5.356 -12.394 9.334 1.00 1.05 O ATOM 349 CB ASN A 22 -5.725 -10.810 11.839 1.00 1.19 C ATOM 350 CG ASN A 22 -5.413 -9.503 12.549 1.00 1.98 C ATOM 351 OD1 ASN A 22 -4.345 -8.920 12.367 1.00 2.79 O ATOM 352 ND2 ASN A 22 -6.341 -9.031 13.366 1.00 2.54 N ATOM 0 H ASN A 22 -8.100 -10.125 11.700 1.00 0.88 H new ATOM 0 HA ASN A 22 -5.915 -9.844 9.915 1.00 0.98 H new ATOM 0 HB2 ASN A 22 -6.346 -11.431 12.485 1.00 1.19 H new ATOM 0 HB3 ASN A 22 -4.798 -11.356 11.667 1.00 1.19 H new ATOM 0 HD21 ASN A 22 -6.182 -8.158 13.868 1.00 2.54 H new ATOM 0 HD22 ASN A 22 -7.215 -9.541 13.493 1.00 2.54 H new ATOM 359 N THR A 23 -7.600 -12.434 9.382 1.00 0.85 N ATOM 360 CA THR A 23 -7.694 -13.656 8.603 1.00 0.88 C ATOM 361 C THR A 23 -8.252 -13.392 7.191 1.00 0.71 C ATOM 362 O THR A 23 -8.395 -14.319 6.390 1.00 0.74 O ATOM 363 CB THR A 23 -8.582 -14.691 9.320 1.00 1.04 C ATOM 364 OG1 THR A 23 -8.312 -14.682 10.732 1.00 1.30 O ATOM 365 CG2 THR A 23 -8.338 -16.089 8.777 1.00 1.69 C ATOM 0 H THR A 23 -8.498 -12.045 9.669 1.00 0.85 H new ATOM 0 HA THR A 23 -6.683 -14.051 8.504 1.00 0.88 H new ATOM 0 HB THR A 23 -9.622 -14.419 9.141 1.00 1.04 H new ATOM 0 HG1 THR A 23 -8.883 -15.342 11.178 1.00 1.30 H new ATOM 0 HG21 THR A 23 -8.978 -16.799 9.301 1.00 1.69 H new ATOM 0 HG22 THR A 23 -8.568 -16.111 7.712 1.00 1.69 H new ATOM 0 HG23 THR A 23 -7.293 -16.361 8.929 1.00 1.69 H new ATOM 373 N THR A 24 -8.567 -12.137 6.873 1.00 0.57 N ATOM 374 CA THR A 24 -9.123 -11.823 5.557 1.00 0.45 C ATOM 375 C THR A 24 -8.018 -11.665 4.518 1.00 0.42 C ATOM 376 O THR A 24 -7.152 -10.798 4.644 1.00 0.50 O ATOM 377 CB THR A 24 -9.983 -10.537 5.573 1.00 0.44 C ATOM 378 OG1 THR A 24 -9.235 -9.438 6.100 1.00 1.08 O ATOM 379 CG2 THR A 24 -11.245 -10.728 6.397 1.00 0.92 C ATOM 0 H THR A 24 -8.450 -11.336 7.494 1.00 0.57 H new ATOM 0 HA THR A 24 -9.764 -12.664 5.290 1.00 0.45 H new ATOM 0 HB THR A 24 -10.267 -10.321 4.543 1.00 0.44 H new ATOM 0 HG1 THR A 24 -9.118 -9.555 7.066 1.00 1.08 H new ATOM 0 HG21 THR A 24 -11.828 -9.807 6.389 1.00 0.92 H new ATOM 0 HG22 THR A 24 -11.839 -11.537 5.971 1.00 0.92 H new ATOM 0 HG23 THR A 24 -10.975 -10.977 7.423 1.00 0.92 H new ATOM 387 N ASN A 25 -8.056 -12.504 3.494 1.00 0.43 N ATOM 388 CA ASN A 25 -7.116 -12.398 2.389 1.00 0.52 C ATOM 389 C ASN A 25 -7.671 -11.401 1.391 1.00 0.50 C ATOM 390 O ASN A 25 -8.698 -11.657 0.761 1.00 0.52 O ATOM 391 CB ASN A 25 -6.896 -13.749 1.696 1.00 0.64 C ATOM 392 CG ASN A 25 -7.103 -14.939 2.613 1.00 0.91 C ATOM 393 OD1 ASN A 25 -8.192 -15.512 2.662 1.00 1.72 O ATOM 394 ND2 ASN A 25 -6.076 -15.313 3.355 1.00 1.40 N ATOM 0 H ASN A 25 -8.728 -13.266 3.405 1.00 0.43 H new ATOM 0 HA ASN A 25 -6.152 -12.070 2.778 1.00 0.52 H new ATOM 0 HB2 ASN A 25 -7.578 -13.830 0.849 1.00 0.64 H new ATOM 0 HB3 ASN A 25 -5.883 -13.782 1.294 1.00 0.64 H new ATOM 0 HD21 ASN A 25 -6.170 -16.101 3.996 1.00 1.40 H new ATOM 0 HD22 ASN A 25 -5.189 -14.814 3.287 1.00 1.40 H new ATOM 401 N LEU A 26 -7.006 -10.262 1.257 1.00 0.56 N ATOM 402 CA LEU A 26 -7.518 -9.180 0.426 1.00 0.60 C ATOM 403 C LEU A 26 -7.665 -9.593 -1.033 1.00 0.60 C ATOM 404 O LEU A 26 -8.448 -8.993 -1.752 1.00 0.63 O ATOM 405 CB LEU A 26 -6.646 -7.925 0.531 1.00 0.68 C ATOM 406 CG LEU A 26 -6.974 -6.999 1.710 1.00 0.78 C ATOM 407 CD1 LEU A 26 -6.534 -7.613 3.030 1.00 1.36 C ATOM 408 CD2 LEU A 26 -6.335 -5.635 1.508 1.00 1.61 C ATOM 0 H LEU A 26 -6.114 -10.063 1.711 1.00 0.56 H new ATOM 0 HA LEU A 26 -8.511 -8.946 0.810 1.00 0.60 H new ATOM 0 HB2 LEU A 26 -5.603 -8.232 0.610 1.00 0.68 H new ATOM 0 HB3 LEU A 26 -6.742 -7.357 -0.394 1.00 0.68 H new ATOM 0 HG LEU A 26 -8.056 -6.871 1.749 1.00 0.78 H new ATOM 0 HD11 LEU A 26 -6.779 -6.934 3.847 1.00 1.36 H new ATOM 0 HD12 LEU A 26 -7.049 -8.562 3.180 1.00 1.36 H new ATOM 0 HD13 LEU A 26 -5.458 -7.784 3.011 1.00 1.36 H new ATOM 0 HD21 LEU A 26 -6.578 -4.991 2.353 1.00 1.61 H new ATOM 0 HD22 LEU A 26 -5.253 -5.747 1.436 1.00 1.61 H new ATOM 0 HD23 LEU A 26 -6.715 -5.187 0.590 1.00 1.61 H new ATOM 420 N ASP A 27 -6.938 -10.626 -1.455 1.00 0.60 N ATOM 421 CA ASP A 27 -7.012 -11.123 -2.837 1.00 0.61 C ATOM 422 C ASP A 27 -8.461 -11.379 -3.256 1.00 0.64 C ATOM 423 O ASP A 27 -8.834 -11.152 -4.405 1.00 0.71 O ATOM 424 CB ASP A 27 -6.191 -12.414 -2.979 1.00 0.63 C ATOM 425 CG ASP A 27 -6.160 -12.959 -4.403 1.00 0.60 C ATOM 426 OD1 ASP A 27 -5.279 -12.543 -5.181 1.00 0.80 O ATOM 427 OD2 ASP A 27 -7.035 -13.787 -4.755 1.00 0.73 O ATOM 0 H ASP A 27 -6.287 -11.140 -0.861 1.00 0.60 H new ATOM 0 HA ASP A 27 -6.598 -10.357 -3.493 1.00 0.61 H new ATOM 0 HB2 ASP A 27 -5.170 -12.225 -2.648 1.00 0.63 H new ATOM 0 HB3 ASP A 27 -6.605 -13.174 -2.316 1.00 0.63 H new ATOM 432 N TYR A 28 -9.279 -11.801 -2.295 1.00 0.70 N ATOM 433 CA TYR A 28 -10.671 -12.155 -2.552 1.00 0.84 C ATOM 434 C TYR A 28 -11.519 -10.953 -2.973 1.00 0.89 C ATOM 435 O TYR A 28 -12.573 -11.124 -3.571 1.00 1.21 O ATOM 436 CB TYR A 28 -11.287 -12.811 -1.316 1.00 0.96 C ATOM 437 CG TYR A 28 -10.828 -14.234 -1.087 1.00 0.93 C ATOM 438 CD1 TYR A 28 -9.545 -14.499 -0.630 1.00 1.09 C ATOM 439 CD2 TYR A 28 -11.672 -15.309 -1.327 1.00 1.22 C ATOM 440 CE1 TYR A 28 -9.116 -15.794 -0.419 1.00 1.13 C ATOM 441 CE2 TYR A 28 -11.251 -16.608 -1.117 1.00 1.31 C ATOM 442 CZ TYR A 28 -9.995 -16.852 -0.667 1.00 1.08 C ATOM 443 OH TYR A 28 -9.547 -18.136 -0.456 1.00 1.22 O ATOM 0 H TYR A 28 -8.997 -11.907 -1.321 1.00 0.70 H new ATOM 0 HA TYR A 28 -10.667 -12.858 -3.385 1.00 0.84 H new ATOM 0 HB2 TYR A 28 -11.040 -12.214 -0.438 1.00 0.96 H new ATOM 0 HB3 TYR A 28 -12.373 -12.801 -1.414 1.00 0.96 H new ATOM 0 HD1 TYR A 28 -8.870 -13.678 -0.436 1.00 1.09 H new ATOM 0 HD2 TYR A 28 -12.675 -15.127 -1.684 1.00 1.22 H new ATOM 0 HE1 TYR A 28 -8.114 -15.987 -0.067 1.00 1.13 H new ATOM 0 HE2 TYR A 28 -11.923 -17.431 -1.312 1.00 1.31 H new ATOM 0 HH TYR A 28 -10.263 -18.771 -0.667 1.00 1.22 H new ATOM 453 N SER A 29 -11.110 -9.748 -2.602 1.00 0.70 N ATOM 454 CA SER A 29 -11.803 -8.549 -3.066 1.00 0.71 C ATOM 455 C SER A 29 -10.903 -7.697 -3.947 1.00 0.59 C ATOM 456 O SER A 29 -11.305 -7.236 -5.014 1.00 0.61 O ATOM 457 CB SER A 29 -12.274 -7.723 -1.881 1.00 0.81 C ATOM 458 OG SER A 29 -12.781 -8.564 -0.867 1.00 1.03 O ATOM 0 H SER A 29 -10.313 -9.573 -1.990 1.00 0.70 H new ATOM 0 HA SER A 29 -12.662 -8.871 -3.655 1.00 0.71 H new ATOM 0 HB2 SER A 29 -11.447 -7.130 -1.491 1.00 0.81 H new ATOM 0 HB3 SER A 29 -13.045 -7.023 -2.201 1.00 0.81 H new ATOM 0 HG SER A 29 -13.741 -8.701 -1.005 1.00 1.03 H new ATOM 464 N ARG A 30 -9.670 -7.526 -3.489 1.00 0.54 N ATOM 465 CA ARG A 30 -8.721 -6.587 -4.075 1.00 0.52 C ATOM 466 C ARG A 30 -8.488 -6.893 -5.550 1.00 0.42 C ATOM 467 O ARG A 30 -8.286 -5.989 -6.355 1.00 0.40 O ATOM 468 CB ARG A 30 -7.398 -6.659 -3.301 1.00 0.58 C ATOM 469 CG ARG A 30 -6.514 -5.437 -3.436 1.00 0.86 C ATOM 470 CD ARG A 30 -6.958 -4.327 -2.501 1.00 1.15 C ATOM 471 NE ARG A 30 -6.046 -3.189 -2.544 1.00 1.84 N ATOM 472 CZ ARG A 30 -6.442 -1.920 -2.541 1.00 2.40 C ATOM 473 NH1 ARG A 30 -7.738 -1.622 -2.515 1.00 2.56 N ATOM 474 NH2 ARG A 30 -5.538 -0.948 -2.566 1.00 3.30 N ATOM 0 H ARG A 30 -9.296 -8.041 -2.692 1.00 0.54 H new ATOM 0 HA ARG A 30 -9.132 -5.580 -4.006 1.00 0.52 H new ATOM 0 HB2 ARG A 30 -7.619 -6.815 -2.245 1.00 0.58 H new ATOM 0 HB3 ARG A 30 -6.841 -7.532 -3.642 1.00 0.58 H new ATOM 0 HG2 ARG A 30 -5.481 -5.707 -3.218 1.00 0.86 H new ATOM 0 HG3 ARG A 30 -6.539 -5.080 -4.465 1.00 0.86 H new ATOM 0 HD2 ARG A 30 -7.961 -4.000 -2.775 1.00 1.15 H new ATOM 0 HD3 ARG A 30 -7.014 -4.710 -1.482 1.00 1.15 H new ATOM 0 HE ARG A 30 -5.044 -3.378 -2.578 1.00 1.84 H new ATOM 0 HH11 ARG A 30 -8.433 -2.369 -2.497 1.00 2.56 H new ATOM 0 HH12 ARG A 30 -8.037 -0.647 -2.513 1.00 2.56 H new ATOM 0 HH21 ARG A 30 -4.544 -1.176 -2.587 1.00 3.30 H new ATOM 0 HH22 ARG A 30 -5.837 0.027 -2.564 1.00 3.30 H new ATOM 488 N ARG A 31 -8.557 -8.170 -5.896 1.00 0.42 N ATOM 489 CA ARG A 31 -8.276 -8.622 -7.252 1.00 0.45 C ATOM 490 C ARG A 31 -9.375 -8.180 -8.226 1.00 0.46 C ATOM 491 O ARG A 31 -9.187 -8.206 -9.440 1.00 0.57 O ATOM 492 CB ARG A 31 -8.141 -10.143 -7.251 1.00 0.57 C ATOM 493 CG ARG A 31 -7.349 -10.707 -8.414 1.00 0.83 C ATOM 494 CD ARG A 31 -7.011 -12.164 -8.158 1.00 1.22 C ATOM 495 NE ARG A 31 -6.168 -12.740 -9.202 1.00 1.73 N ATOM 496 CZ ARG A 31 -5.238 -13.665 -8.966 1.00 2.33 C ATOM 497 NH1 ARG A 31 -4.922 -13.992 -7.717 1.00 2.65 N ATOM 498 NH2 ARG A 31 -4.593 -14.238 -9.974 1.00 3.18 N ATOM 0 H ARG A 31 -8.808 -8.918 -5.250 1.00 0.42 H new ATOM 0 HA ARG A 31 -7.343 -8.170 -7.589 1.00 0.45 H new ATOM 0 HB2 ARG A 31 -7.665 -10.452 -6.320 1.00 0.57 H new ATOM 0 HB3 ARG A 31 -9.138 -10.583 -7.260 1.00 0.57 H new ATOM 0 HG2 ARG A 31 -7.925 -10.616 -9.335 1.00 0.83 H new ATOM 0 HG3 ARG A 31 -6.433 -10.132 -8.553 1.00 0.83 H new ATOM 0 HD2 ARG A 31 -6.503 -12.251 -7.198 1.00 1.22 H new ATOM 0 HD3 ARG A 31 -7.934 -12.739 -8.084 1.00 1.22 H new ATOM 0 HE ARG A 31 -6.298 -12.418 -10.161 1.00 1.73 H new ATOM 0 HH11 ARG A 31 -5.392 -13.535 -6.936 1.00 2.65 H new ATOM 0 HH12 ARG A 31 -4.210 -14.700 -7.540 1.00 2.65 H new ATOM 0 HH21 ARG A 31 -4.808 -13.971 -10.935 1.00 3.18 H new ATOM 0 HH22 ARG A 31 -3.882 -14.945 -9.788 1.00 3.18 H new ATOM 512 N PHE A 32 -10.524 -7.775 -7.689 1.00 0.45 N ATOM 513 CA PHE A 32 -11.621 -7.278 -8.521 1.00 0.49 C ATOM 514 C PHE A 32 -11.740 -5.768 -8.381 1.00 0.43 C ATOM 515 O PHE A 32 -12.465 -5.114 -9.127 1.00 0.49 O ATOM 516 CB PHE A 32 -12.954 -7.912 -8.115 1.00 0.59 C ATOM 517 CG PHE A 32 -12.885 -9.385 -7.843 1.00 0.98 C ATOM 518 CD1 PHE A 32 -12.553 -10.286 -8.843 1.00 1.54 C ATOM 519 CD2 PHE A 32 -13.157 -9.863 -6.577 1.00 1.11 C ATOM 520 CE1 PHE A 32 -12.496 -11.641 -8.575 1.00 2.18 C ATOM 521 CE2 PHE A 32 -13.105 -11.210 -6.304 1.00 1.68 C ATOM 522 CZ PHE A 32 -12.775 -12.104 -7.302 1.00 2.21 C ATOM 0 H PHE A 32 -10.720 -7.780 -6.688 1.00 0.45 H new ATOM 0 HA PHE A 32 -11.398 -7.545 -9.554 1.00 0.49 H new ATOM 0 HB2 PHE A 32 -13.325 -7.408 -7.223 1.00 0.59 H new ATOM 0 HB3 PHE A 32 -13.682 -7.735 -8.907 1.00 0.59 H new ATOM 0 HD1 PHE A 32 -12.337 -9.927 -9.838 1.00 1.54 H new ATOM 0 HD2 PHE A 32 -13.414 -9.170 -5.790 1.00 1.11 H new ATOM 0 HE1 PHE A 32 -12.234 -12.337 -9.358 1.00 2.18 H new ATOM 0 HE2 PHE A 32 -13.322 -11.568 -5.309 1.00 1.68 H new ATOM 0 HZ PHE A 32 -12.735 -13.162 -7.090 1.00 2.21 H new ATOM 532 N LEU A 33 -11.020 -5.220 -7.415 1.00 0.41 N ATOM 533 CA LEU A 33 -11.119 -3.805 -7.099 1.00 0.39 C ATOM 534 C LEU A 33 -10.195 -2.983 -7.991 1.00 0.30 C ATOM 535 O LEU A 33 -10.230 -1.756 -7.962 1.00 0.31 O ATOM 536 CB LEU A 33 -10.792 -3.568 -5.620 1.00 0.47 C ATOM 537 CG LEU A 33 -11.715 -4.284 -4.629 1.00 0.63 C ATOM 538 CD1 LEU A 33 -11.376 -3.888 -3.203 1.00 0.74 C ATOM 539 CD2 LEU A 33 -13.176 -3.986 -4.935 1.00 0.72 C ATOM 0 H LEU A 33 -10.359 -5.736 -6.835 1.00 0.41 H new ATOM 0 HA LEU A 33 -12.143 -3.482 -7.286 1.00 0.39 H new ATOM 0 HB2 LEU A 33 -9.767 -3.888 -5.435 1.00 0.47 H new ATOM 0 HB3 LEU A 33 -10.832 -2.497 -5.422 1.00 0.47 H new ATOM 0 HG LEU A 33 -11.559 -5.358 -4.735 1.00 0.63 H new ATOM 0 HD11 LEU A 33 -12.042 -4.406 -2.513 1.00 0.74 H new ATOM 0 HD12 LEU A 33 -10.344 -4.161 -2.985 1.00 0.74 H new ATOM 0 HD13 LEU A 33 -11.499 -2.811 -3.085 1.00 0.74 H new ATOM 0 HD21 LEU A 33 -13.811 -4.506 -4.218 1.00 0.72 H new ATOM 0 HD22 LEU A 33 -13.351 -2.913 -4.864 1.00 0.72 H new ATOM 0 HD23 LEU A 33 -13.413 -4.326 -5.943 1.00 0.72 H new ATOM 551 N GLU A 34 -9.388 -3.674 -8.795 1.00 0.27 N ATOM 552 CA GLU A 34 -8.451 -3.027 -9.719 1.00 0.25 C ATOM 553 C GLU A 34 -9.089 -1.900 -10.539 1.00 0.25 C ATOM 554 O GLU A 34 -8.561 -0.791 -10.558 1.00 0.26 O ATOM 555 CB GLU A 34 -7.837 -4.054 -10.665 1.00 0.28 C ATOM 556 CG GLU A 34 -6.575 -4.687 -10.132 1.00 0.35 C ATOM 557 CD GLU A 34 -5.978 -5.666 -11.112 1.00 0.48 C ATOM 558 OE1 GLU A 34 -5.172 -5.242 -11.969 1.00 0.71 O ATOM 559 OE2 GLU A 34 -6.310 -6.866 -11.033 1.00 0.65 O ATOM 0 H GLU A 34 -9.363 -4.693 -8.826 1.00 0.27 H new ATOM 0 HA GLU A 34 -7.677 -2.577 -9.097 1.00 0.25 H new ATOM 0 HB2 GLU A 34 -8.570 -4.836 -10.864 1.00 0.28 H new ATOM 0 HB3 GLU A 34 -7.618 -3.572 -11.618 1.00 0.28 H new ATOM 0 HG2 GLU A 34 -5.846 -3.909 -9.907 1.00 0.35 H new ATOM 0 HG3 GLU A 34 -6.794 -5.199 -9.195 1.00 0.35 H new ATOM 566 N PRO A 35 -10.222 -2.148 -11.235 1.00 0.28 N ATOM 567 CA PRO A 35 -10.863 -1.120 -12.058 1.00 0.33 C ATOM 568 C PRO A 35 -11.268 0.119 -11.256 1.00 0.32 C ATOM 569 O PRO A 35 -11.366 1.217 -11.807 1.00 0.36 O ATOM 570 CB PRO A 35 -12.100 -1.819 -12.639 1.00 0.41 C ATOM 571 CG PRO A 35 -12.307 -3.027 -11.791 1.00 0.54 C ATOM 572 CD PRO A 35 -10.945 -3.430 -11.311 1.00 0.30 C ATOM 0 HA PRO A 35 -10.181 -0.745 -12.821 1.00 0.33 H new ATOM 0 HB2 PRO A 35 -12.971 -1.164 -12.610 1.00 0.41 H new ATOM 0 HB3 PRO A 35 -11.943 -2.093 -13.682 1.00 0.41 H new ATOM 0 HG2 PRO A 35 -12.967 -2.807 -10.952 1.00 0.54 H new ATOM 0 HG3 PRO A 35 -12.773 -3.830 -12.362 1.00 0.54 H new ATOM 0 HD2 PRO A 35 -10.990 -3.925 -10.341 1.00 0.30 H new ATOM 0 HD3 PRO A 35 -10.464 -4.123 -12.001 1.00 0.30 H new ATOM 580 N PHE A 36 -11.491 -0.056 -9.959 1.00 0.32 N ATOM 581 CA PHE A 36 -11.828 1.061 -9.088 1.00 0.36 C ATOM 582 C PHE A 36 -10.562 1.766 -8.618 1.00 0.34 C ATOM 583 O PHE A 36 -10.507 2.992 -8.572 1.00 0.37 O ATOM 584 CB PHE A 36 -12.643 0.579 -7.885 1.00 0.44 C ATOM 585 CG PHE A 36 -13.004 1.673 -6.920 1.00 0.51 C ATOM 586 CD1 PHE A 36 -14.007 2.581 -7.224 1.00 0.58 C ATOM 587 CD2 PHE A 36 -12.341 1.794 -5.711 1.00 0.57 C ATOM 588 CE1 PHE A 36 -14.340 3.589 -6.339 1.00 0.67 C ATOM 589 CE2 PHE A 36 -12.670 2.800 -4.823 1.00 0.67 C ATOM 590 CZ PHE A 36 -13.672 3.696 -5.134 1.00 0.72 C ATOM 0 H PHE A 36 -11.444 -0.960 -9.489 1.00 0.32 H new ATOM 0 HA PHE A 36 -12.434 1.768 -9.655 1.00 0.36 H new ATOM 0 HB2 PHE A 36 -13.558 0.107 -8.243 1.00 0.44 H new ATOM 0 HB3 PHE A 36 -12.075 -0.186 -7.356 1.00 0.44 H new ATOM 0 HD1 PHE A 36 -14.534 2.500 -8.163 1.00 0.58 H new ATOM 0 HD2 PHE A 36 -11.558 1.094 -5.459 1.00 0.57 H new ATOM 0 HE1 PHE A 36 -15.121 4.292 -6.589 1.00 0.67 H new ATOM 0 HE2 PHE A 36 -12.142 2.885 -3.885 1.00 0.67 H new ATOM 0 HZ PHE A 36 -13.934 4.479 -4.438 1.00 0.72 H new ATOM 600 N LEU A 37 -9.544 0.977 -8.291 1.00 0.32 N ATOM 601 CA LEU A 37 -8.260 1.507 -7.832 1.00 0.34 C ATOM 602 C LEU A 37 -7.565 2.296 -8.934 1.00 0.30 C ATOM 603 O LEU A 37 -6.716 3.145 -8.658 1.00 0.31 O ATOM 604 CB LEU A 37 -7.345 0.367 -7.366 1.00 0.39 C ATOM 605 CG LEU A 37 -7.488 -0.051 -5.899 1.00 0.47 C ATOM 606 CD1 LEU A 37 -7.038 1.071 -4.982 1.00 1.04 C ATOM 607 CD2 LEU A 37 -8.919 -0.450 -5.585 1.00 0.90 C ATOM 0 H LEU A 37 -9.582 -0.041 -8.335 1.00 0.32 H new ATOM 0 HA LEU A 37 -8.460 2.177 -6.996 1.00 0.34 H new ATOM 0 HB2 LEU A 37 -7.536 -0.505 -7.992 1.00 0.39 H new ATOM 0 HB3 LEU A 37 -6.311 0.664 -7.540 1.00 0.39 H new ATOM 0 HG LEU A 37 -6.849 -0.918 -5.730 1.00 0.47 H new ATOM 0 HD11 LEU A 37 -7.146 0.758 -3.944 1.00 1.04 H new ATOM 0 HD12 LEU A 37 -5.993 1.308 -5.183 1.00 1.04 H new ATOM 0 HD13 LEU A 37 -7.651 1.954 -5.160 1.00 1.04 H new ATOM 0 HD21 LEU A 37 -8.994 -0.742 -4.538 1.00 0.90 H new ATOM 0 HD22 LEU A 37 -9.582 0.394 -5.774 1.00 0.90 H new ATOM 0 HD23 LEU A 37 -9.210 -1.289 -6.217 1.00 0.90 H new ATOM 619 N ARG A 38 -7.920 1.996 -10.175 1.00 0.30 N ATOM 620 CA ARG A 38 -7.337 2.669 -11.327 1.00 0.34 C ATOM 621 C ARG A 38 -7.740 4.141 -11.372 1.00 0.34 C ATOM 622 O ARG A 38 -8.798 4.493 -11.897 1.00 0.43 O ATOM 623 CB ARG A 38 -7.761 1.978 -12.626 1.00 0.45 C ATOM 624 CG ARG A 38 -7.130 2.586 -13.868 1.00 0.56 C ATOM 625 CD ARG A 38 -7.711 1.993 -15.138 1.00 0.90 C ATOM 626 NE ARG A 38 -7.085 2.548 -16.334 1.00 1.91 N ATOM 627 CZ ARG A 38 -7.344 2.134 -17.574 1.00 2.44 C ATOM 628 NH1 ARG A 38 -8.257 1.194 -17.794 1.00 2.16 N ATOM 629 NH2 ARG A 38 -6.689 2.669 -18.594 1.00 3.59 N ATOM 0 H ARG A 38 -8.614 1.286 -10.411 1.00 0.30 H new ATOM 0 HA ARG A 38 -6.253 2.611 -11.227 1.00 0.34 H new ATOM 0 HB2 ARG A 38 -7.494 0.923 -12.571 1.00 0.45 H new ATOM 0 HB3 ARG A 38 -8.846 2.028 -12.718 1.00 0.45 H new ATOM 0 HG2 ARG A 38 -7.286 3.665 -13.865 1.00 0.56 H new ATOM 0 HG3 ARG A 38 -6.053 2.420 -13.848 1.00 0.56 H new ATOM 0 HD2 ARG A 38 -7.578 0.911 -15.127 1.00 0.90 H new ATOM 0 HD3 ARG A 38 -8.784 2.182 -15.169 1.00 0.90 H new ATOM 0 HE ARG A 38 -6.407 3.300 -16.213 1.00 1.91 H new ATOM 0 HH11 ARG A 38 -8.766 0.784 -17.011 1.00 2.16 H new ATOM 0 HH12 ARG A 38 -8.449 0.883 -18.746 1.00 2.16 H new ATOM 0 HH21 ARG A 38 -5.991 3.394 -18.428 1.00 3.59 H new ATOM 0 HH22 ARG A 38 -6.883 2.356 -19.545 1.00 3.59 H new ATOM 643 N GLY A 39 -6.898 4.990 -10.809 1.00 0.29 N ATOM 644 CA GLY A 39 -7.112 6.416 -10.901 1.00 0.29 C ATOM 645 C GLY A 39 -7.603 7.047 -9.611 1.00 0.28 C ATOM 646 O GLY A 39 -8.288 8.067 -9.650 1.00 0.38 O ATOM 0 H GLY A 39 -6.066 4.715 -10.287 1.00 0.29 H new ATOM 0 HA2 GLY A 39 -6.179 6.896 -11.197 1.00 0.29 H new ATOM 0 HA3 GLY A 39 -7.837 6.615 -11.690 1.00 0.29 H new ATOM 650 N ILE A 40 -7.248 6.478 -8.463 1.00 0.26 N ATOM 651 CA ILE A 40 -7.657 7.081 -7.192 1.00 0.25 C ATOM 652 C ILE A 40 -6.528 7.928 -6.625 1.00 0.26 C ATOM 653 O ILE A 40 -5.361 7.737 -6.971 1.00 0.32 O ATOM 654 CB ILE A 40 -8.103 6.055 -6.114 1.00 0.23 C ATOM 655 CG1 ILE A 40 -6.944 5.152 -5.680 1.00 0.21 C ATOM 656 CG2 ILE A 40 -9.270 5.221 -6.620 1.00 0.24 C ATOM 657 CD1 ILE A 40 -7.208 4.392 -4.392 1.00 0.23 C ATOM 0 H ILE A 40 -6.694 5.625 -8.382 1.00 0.26 H new ATOM 0 HA ILE A 40 -8.528 7.692 -7.428 1.00 0.25 H new ATOM 0 HB ILE A 40 -8.428 6.617 -5.239 1.00 0.23 H new ATOM 0 HG12 ILE A 40 -6.735 4.437 -6.476 1.00 0.21 H new ATOM 0 HG13 ILE A 40 -6.049 5.761 -5.555 1.00 0.21 H new ATOM 0 HG21 ILE A 40 -9.568 4.508 -5.851 1.00 0.24 H new ATOM 0 HG22 ILE A 40 -10.110 5.875 -6.854 1.00 0.24 H new ATOM 0 HG23 ILE A 40 -8.969 4.681 -7.518 1.00 0.24 H new ATOM 0 HD11 ILE A 40 -6.343 3.775 -4.150 1.00 0.23 H new ATOM 0 HD12 ILE A 40 -7.387 5.099 -3.582 1.00 0.23 H new ATOM 0 HD13 ILE A 40 -8.084 3.755 -4.518 1.00 0.23 H new ATOM 669 N ASN A 41 -6.878 8.874 -5.772 1.00 0.31 N ATOM 670 CA ASN A 41 -5.886 9.695 -5.103 1.00 0.33 C ATOM 671 C ASN A 41 -5.845 9.318 -3.630 1.00 0.32 C ATOM 672 O ASN A 41 -6.887 9.190 -2.985 1.00 0.40 O ATOM 673 CB ASN A 41 -6.191 11.194 -5.282 1.00 0.43 C ATOM 674 CG ASN A 41 -7.473 11.641 -4.597 1.00 1.11 C ATOM 675 OD1 ASN A 41 -7.465 12.026 -3.428 1.00 1.99 O ATOM 676 ND2 ASN A 41 -8.582 11.619 -5.324 1.00 1.65 N ATOM 0 H ASN A 41 -7.843 9.093 -5.526 1.00 0.31 H new ATOM 0 HA ASN A 41 -4.909 9.512 -5.550 1.00 0.33 H new ATOM 0 HB2 ASN A 41 -5.357 11.775 -4.889 1.00 0.43 H new ATOM 0 HB3 ASN A 41 -6.261 11.417 -6.347 1.00 0.43 H new ATOM 0 HD21 ASN A 41 -9.465 11.928 -4.917 1.00 1.65 H new ATOM 0 HD22 ASN A 41 -8.552 11.294 -6.290 1.00 1.65 H new ATOM 683 N VAL A 42 -4.653 9.096 -3.103 1.00 0.29 N ATOM 684 CA VAL A 42 -4.522 8.685 -1.718 1.00 0.31 C ATOM 685 C VAL A 42 -3.386 9.408 -1.037 1.00 0.23 C ATOM 686 O VAL A 42 -2.359 9.695 -1.640 1.00 0.23 O ATOM 687 CB VAL A 42 -4.316 7.168 -1.590 1.00 0.39 C ATOM 688 CG1 VAL A 42 -3.108 6.704 -2.386 1.00 0.66 C ATOM 689 CG2 VAL A 42 -4.194 6.757 -0.145 1.00 0.93 C ATOM 0 H VAL A 42 -3.772 9.192 -3.607 1.00 0.29 H new ATOM 0 HA VAL A 42 -5.457 8.949 -1.225 1.00 0.31 H new ATOM 0 HB VAL A 42 -5.198 6.682 -2.008 1.00 0.39 H new ATOM 0 HG11 VAL A 42 -2.991 5.626 -2.274 1.00 0.66 H new ATOM 0 HG12 VAL A 42 -3.251 6.946 -3.439 1.00 0.66 H new ATOM 0 HG13 VAL A 42 -2.214 7.207 -2.017 1.00 0.66 H new ATOM 0 HG21 VAL A 42 -4.049 5.678 -0.085 1.00 0.93 H new ATOM 0 HG22 VAL A 42 -3.341 7.264 0.307 1.00 0.93 H new ATOM 0 HG23 VAL A 42 -5.104 7.031 0.389 1.00 0.93 H new ATOM 699 N VAL A 43 -3.593 9.697 0.221 1.00 0.21 N ATOM 700 CA VAL A 43 -2.580 10.329 1.036 1.00 0.19 C ATOM 701 C VAL A 43 -1.856 9.256 1.831 1.00 0.21 C ATOM 702 O VAL A 43 -2.399 8.701 2.787 1.00 0.24 O ATOM 703 CB VAL A 43 -3.191 11.373 1.993 1.00 0.22 C ATOM 704 CG1 VAL A 43 -2.108 12.087 2.784 1.00 0.22 C ATOM 705 CG2 VAL A 43 -4.036 12.374 1.220 1.00 0.25 C ATOM 0 H VAL A 43 -4.466 9.503 0.712 1.00 0.21 H new ATOM 0 HA VAL A 43 -1.882 10.854 0.384 1.00 0.19 H new ATOM 0 HB VAL A 43 -3.834 10.849 2.700 1.00 0.22 H new ATOM 0 HG11 VAL A 43 -2.566 12.817 3.451 1.00 0.22 H new ATOM 0 HG12 VAL A 43 -1.548 11.360 3.372 1.00 0.22 H new ATOM 0 HG13 VAL A 43 -1.432 12.596 2.097 1.00 0.22 H new ATOM 0 HG21 VAL A 43 -4.459 13.103 1.911 1.00 0.25 H new ATOM 0 HG22 VAL A 43 -3.413 12.887 0.488 1.00 0.25 H new ATOM 0 HG23 VAL A 43 -4.842 11.850 0.707 1.00 0.25 H new ATOM 715 N TYR A 44 -0.646 8.937 1.411 1.00 0.22 N ATOM 716 CA TYR A 44 0.133 7.908 2.074 1.00 0.26 C ATOM 717 C TYR A 44 0.868 8.496 3.261 1.00 0.31 C ATOM 718 O TYR A 44 1.588 9.488 3.126 1.00 0.37 O ATOM 719 CB TYR A 44 1.125 7.257 1.103 1.00 0.31 C ATOM 720 CG TYR A 44 1.970 6.167 1.733 1.00 0.52 C ATOM 721 CD1 TYR A 44 1.507 4.860 1.818 1.00 0.36 C ATOM 722 CD2 TYR A 44 3.229 6.450 2.249 1.00 1.24 C ATOM 723 CE1 TYR A 44 2.275 3.865 2.399 1.00 0.71 C ATOM 724 CE2 TYR A 44 3.999 5.463 2.832 1.00 1.69 C ATOM 725 CZ TYR A 44 3.519 4.173 2.905 1.00 1.41 C ATOM 726 OH TYR A 44 4.287 3.189 3.485 1.00 1.85 O ATOM 0 H TYR A 44 -0.182 9.375 0.615 1.00 0.22 H new ATOM 0 HA TYR A 44 -0.551 7.135 2.426 1.00 0.26 H new ATOM 0 HB2 TYR A 44 0.574 6.836 0.262 1.00 0.31 H new ATOM 0 HB3 TYR A 44 1.783 8.027 0.700 1.00 0.31 H new ATOM 0 HD1 TYR A 44 0.531 4.616 1.424 1.00 0.36 H new ATOM 0 HD2 TYR A 44 3.611 7.458 2.193 1.00 1.24 H new ATOM 0 HE1 TYR A 44 1.901 2.853 2.455 1.00 0.71 H new ATOM 0 HE2 TYR A 44 4.974 5.701 3.230 1.00 1.69 H new ATOM 0 HH TYR A 44 5.136 3.573 3.789 1.00 1.85 H new ATOM 736 N THR A 45 0.670 7.896 4.421 1.00 0.32 N ATOM 737 CA THR A 45 1.368 8.315 5.617 1.00 0.39 C ATOM 738 C THR A 45 2.611 7.455 5.818 1.00 0.41 C ATOM 739 O THR A 45 2.512 6.289 6.204 1.00 0.44 O ATOM 740 CB THR A 45 0.459 8.219 6.858 1.00 0.47 C ATOM 741 OG1 THR A 45 -0.109 6.906 6.952 1.00 1.27 O ATOM 742 CG2 THR A 45 -0.657 9.252 6.793 1.00 0.96 C ATOM 0 H THR A 45 0.029 7.115 4.557 1.00 0.32 H new ATOM 0 HA THR A 45 1.661 9.357 5.491 1.00 0.39 H new ATOM 0 HB THR A 45 1.068 8.416 7.740 1.00 0.47 H new ATOM 0 HG1 THR A 45 0.573 6.238 6.732 1.00 1.27 H new ATOM 0 HG21 THR A 45 -1.285 9.165 7.679 1.00 0.96 H new ATOM 0 HG22 THR A 45 -0.225 10.252 6.751 1.00 0.96 H new ATOM 0 HG23 THR A 45 -1.261 9.080 5.902 1.00 0.96 H new ATOM 750 N PRO A 46 3.794 8.009 5.533 1.00 0.45 N ATOM 751 CA PRO A 46 5.048 7.280 5.656 1.00 0.51 C ATOM 752 C PRO A 46 5.428 7.080 7.113 1.00 0.52 C ATOM 753 O PRO A 46 5.455 8.038 7.892 1.00 0.57 O ATOM 754 CB PRO A 46 6.079 8.176 4.954 1.00 0.56 C ATOM 755 CG PRO A 46 5.302 9.291 4.332 1.00 0.58 C ATOM 756 CD PRO A 46 4.012 9.385 5.091 1.00 0.51 C ATOM 0 HA PRO A 46 4.985 6.283 5.219 1.00 0.51 H new ATOM 0 HB2 PRO A 46 6.811 8.560 5.665 1.00 0.56 H new ATOM 0 HB3 PRO A 46 6.631 7.617 4.199 1.00 0.56 H new ATOM 0 HG2 PRO A 46 5.855 10.229 4.389 1.00 0.58 H new ATOM 0 HG3 PRO A 46 5.117 9.094 3.276 1.00 0.58 H new ATOM 0 HD2 PRO A 46 4.088 10.073 5.933 1.00 0.51 H new ATOM 0 HD3 PRO A 46 3.197 9.741 4.461 1.00 0.51 H new ATOM 764 N PRO A 47 5.698 5.826 7.502 1.00 0.60 N ATOM 765 CA PRO A 47 6.140 5.492 8.853 1.00 0.68 C ATOM 766 C PRO A 47 7.285 6.388 9.311 1.00 0.62 C ATOM 767 O PRO A 47 8.141 6.783 8.512 1.00 0.56 O ATOM 768 CB PRO A 47 6.615 4.045 8.717 1.00 0.82 C ATOM 769 CG PRO A 47 5.809 3.489 7.597 1.00 0.86 C ATOM 770 CD PRO A 47 5.581 4.631 6.645 1.00 0.73 C ATOM 0 HA PRO A 47 5.352 5.627 9.594 1.00 0.68 H new ATOM 0 HB2 PRO A 47 7.682 3.997 8.500 1.00 0.82 H new ATOM 0 HB3 PRO A 47 6.452 3.486 9.638 1.00 0.82 H new ATOM 0 HG2 PRO A 47 6.335 2.671 7.106 1.00 0.86 H new ATOM 0 HG3 PRO A 47 4.862 3.088 7.959 1.00 0.86 H new ATOM 0 HD2 PRO A 47 6.320 4.638 5.844 1.00 0.73 H new ATOM 0 HD3 PRO A 47 4.600 4.570 6.174 1.00 0.73 H new ATOM 778 N GLN A 48 7.288 6.693 10.605 1.00 0.73 N ATOM 779 CA GLN A 48 8.268 7.599 11.209 1.00 0.79 C ATOM 780 C GLN A 48 9.700 7.138 10.957 1.00 0.67 C ATOM 781 O GLN A 48 10.637 7.929 11.040 1.00 0.73 O ATOM 782 CB GLN A 48 8.012 7.715 12.714 1.00 1.03 C ATOM 783 CG GLN A 48 7.894 6.370 13.414 1.00 0.91 C ATOM 784 CD GLN A 48 7.730 6.505 14.914 1.00 1.24 C ATOM 785 OE1 GLN A 48 6.614 6.621 15.421 1.00 1.91 O ATOM 786 NE2 GLN A 48 8.840 6.475 15.635 1.00 1.84 N ATOM 0 H GLN A 48 6.610 6.319 11.269 1.00 0.73 H new ATOM 0 HA GLN A 48 8.149 8.576 10.740 1.00 0.79 H new ATOM 0 HB2 GLN A 48 8.823 8.283 13.170 1.00 1.03 H new ATOM 0 HB3 GLN A 48 7.095 8.282 12.876 1.00 1.03 H new ATOM 0 HG2 GLN A 48 7.042 5.826 13.007 1.00 0.91 H new ATOM 0 HG3 GLN A 48 8.782 5.775 13.202 1.00 0.91 H new ATOM 0 HE21 GLN A 48 9.745 6.377 15.174 1.00 1.84 H new ATOM 0 HE22 GLN A 48 8.790 6.549 16.651 1.00 1.84 H new ATOM 795 N SER A 49 9.854 5.860 10.628 1.00 0.60 N ATOM 796 CA SER A 49 11.160 5.284 10.342 1.00 0.59 C ATOM 797 C SER A 49 11.731 5.840 9.033 1.00 0.62 C ATOM 798 O SER A 49 12.939 5.793 8.805 1.00 0.71 O ATOM 799 CB SER A 49 11.040 3.759 10.264 1.00 0.71 C ATOM 800 OG SER A 49 12.305 3.141 10.100 1.00 1.55 O ATOM 0 H SER A 49 9.081 5.199 10.553 1.00 0.60 H new ATOM 0 HA SER A 49 11.844 5.553 11.146 1.00 0.59 H new ATOM 0 HB2 SER A 49 10.567 3.384 11.172 1.00 0.71 H new ATOM 0 HB3 SER A 49 10.392 3.487 9.431 1.00 0.71 H new ATOM 0 HG SER A 49 12.346 2.329 10.647 1.00 1.55 H new ATOM 806 N PHE A 50 10.859 6.368 8.177 1.00 0.62 N ATOM 807 CA PHE A 50 11.290 6.947 6.907 1.00 0.66 C ATOM 808 C PHE A 50 11.456 8.459 7.028 1.00 0.67 C ATOM 809 O PHE A 50 11.962 9.120 6.118 1.00 0.79 O ATOM 810 CB PHE A 50 10.290 6.625 5.791 1.00 0.69 C ATOM 811 CG PHE A 50 10.194 5.162 5.463 1.00 0.71 C ATOM 812 CD1 PHE A 50 11.174 4.540 4.703 1.00 0.91 C ATOM 813 CD2 PHE A 50 9.125 4.407 5.915 1.00 0.80 C ATOM 814 CE1 PHE A 50 11.086 3.195 4.401 1.00 1.01 C ATOM 815 CE2 PHE A 50 9.033 3.062 5.618 1.00 0.89 C ATOM 816 CZ PHE A 50 10.015 2.454 4.860 1.00 0.93 C ATOM 0 H PHE A 50 9.853 6.407 8.339 1.00 0.62 H new ATOM 0 HA PHE A 50 12.254 6.505 6.654 1.00 0.66 H new ATOM 0 HB2 PHE A 50 9.305 6.987 6.084 1.00 0.69 H new ATOM 0 HB3 PHE A 50 10.576 7.171 4.892 1.00 0.69 H new ATOM 0 HD1 PHE A 50 12.015 5.114 4.343 1.00 0.91 H new ATOM 0 HD2 PHE A 50 8.353 4.876 6.507 1.00 0.80 H new ATOM 0 HE1 PHE A 50 11.854 2.723 3.806 1.00 1.01 H new ATOM 0 HE2 PHE A 50 8.194 2.485 5.978 1.00 0.89 H new ATOM 0 HZ PHE A 50 9.945 1.402 4.627 1.00 0.93 H new ATOM 826 N GLN A 51 11.006 8.986 8.175 1.00 0.62 N ATOM 827 CA GLN A 51 11.100 10.409 8.501 1.00 0.70 C ATOM 828 C GLN A 51 10.535 11.285 7.383 1.00 0.62 C ATOM 829 O GLN A 51 11.072 12.349 7.078 1.00 0.72 O ATOM 830 CB GLN A 51 12.555 10.774 8.806 1.00 0.93 C ATOM 831 CG GLN A 51 13.134 9.975 9.963 1.00 1.08 C ATOM 832 CD GLN A 51 14.588 10.295 10.242 1.00 1.45 C ATOM 833 OE1 GLN A 51 15.052 11.410 10.013 1.00 1.53 O ATOM 834 NE2 GLN A 51 15.319 9.311 10.747 1.00 2.20 N ATOM 0 H GLN A 51 10.564 8.429 8.906 1.00 0.62 H new ATOM 0 HA GLN A 51 10.494 10.598 9.387 1.00 0.70 H new ATOM 0 HB2 GLN A 51 13.161 10.606 7.916 1.00 0.93 H new ATOM 0 HB3 GLN A 51 12.617 11.837 9.038 1.00 0.93 H new ATOM 0 HG2 GLN A 51 12.547 10.171 10.860 1.00 1.08 H new ATOM 0 HG3 GLN A 51 13.038 8.911 9.745 1.00 1.08 H new ATOM 0 HE21 GLN A 51 14.896 8.400 10.923 1.00 2.20 H new ATOM 0 HE22 GLN A 51 16.304 9.465 10.960 1.00 2.20 H new ATOM 843 N SER A 52 9.437 10.838 6.790 1.00 0.51 N ATOM 844 CA SER A 52 8.836 11.539 5.665 1.00 0.50 C ATOM 845 C SER A 52 7.450 12.068 6.034 1.00 0.48 C ATOM 846 O SER A 52 6.896 11.707 7.075 1.00 0.54 O ATOM 847 CB SER A 52 8.742 10.592 4.471 1.00 0.53 C ATOM 848 OG SER A 52 9.995 9.975 4.220 1.00 1.18 O ATOM 0 H SER A 52 8.943 9.991 7.070 1.00 0.51 H new ATOM 0 HA SER A 52 9.462 12.392 5.403 1.00 0.50 H new ATOM 0 HB2 SER A 52 7.988 9.829 4.664 1.00 0.53 H new ATOM 0 HB3 SER A 52 8.419 11.143 3.588 1.00 0.53 H new ATOM 0 HG SER A 52 10.484 9.872 5.063 1.00 1.18 H new ATOM 854 N ALA A 53 6.898 12.915 5.174 1.00 0.54 N ATOM 855 CA ALA A 53 5.606 13.536 5.422 1.00 0.60 C ATOM 856 C ALA A 53 4.542 12.928 4.516 1.00 0.51 C ATOM 857 O ALA A 53 4.843 12.516 3.395 1.00 0.50 O ATOM 858 CB ALA A 53 5.702 15.039 5.195 1.00 0.80 C ATOM 0 H ALA A 53 7.331 13.188 4.292 1.00 0.54 H new ATOM 0 HA ALA A 53 5.319 13.354 6.458 1.00 0.60 H new ATOM 0 HB1 ALA A 53 4.731 15.498 5.382 1.00 0.80 H new ATOM 0 HB2 ALA A 53 6.441 15.463 5.875 1.00 0.80 H new ATOM 0 HB3 ALA A 53 6.002 15.233 4.165 1.00 0.80 H new ATOM 864 N PRO A 54 3.288 12.844 4.998 1.00 0.50 N ATOM 865 CA PRO A 54 2.178 12.285 4.217 1.00 0.43 C ATOM 866 C PRO A 54 1.952 13.048 2.917 1.00 0.38 C ATOM 867 O PRO A 54 1.846 14.277 2.916 1.00 0.41 O ATOM 868 CB PRO A 54 0.966 12.435 5.142 1.00 0.47 C ATOM 869 CG PRO A 54 1.538 12.576 6.511 1.00 0.63 C ATOM 870 CD PRO A 54 2.855 13.276 6.337 1.00 0.57 C ATOM 0 HA PRO A 54 2.371 11.254 3.919 1.00 0.43 H new ATOM 0 HB2 PRO A 54 0.370 13.307 4.872 1.00 0.47 H new ATOM 0 HB3 PRO A 54 0.310 11.567 5.076 1.00 0.47 H new ATOM 0 HG2 PRO A 54 0.872 13.151 7.155 1.00 0.63 H new ATOM 0 HG3 PRO A 54 1.673 11.601 6.980 1.00 0.63 H new ATOM 0 HD2 PRO A 54 2.747 14.359 6.396 1.00 0.57 H new ATOM 0 HD3 PRO A 54 3.571 12.985 7.106 1.00 0.57 H new ATOM 878 N ARG A 55 1.853 12.311 1.822 1.00 0.37 N ATOM 879 CA ARG A 55 1.738 12.909 0.501 1.00 0.40 C ATOM 880 C ARG A 55 0.767 12.113 -0.361 1.00 0.31 C ATOM 881 O ARG A 55 0.563 10.917 -0.143 1.00 0.31 O ATOM 882 CB ARG A 55 3.114 12.982 -0.169 1.00 0.60 C ATOM 883 CG ARG A 55 3.843 11.651 -0.218 1.00 1.07 C ATOM 884 CD ARG A 55 5.226 11.797 -0.832 1.00 1.04 C ATOM 885 NE ARG A 55 5.173 12.178 -2.245 1.00 1.50 N ATOM 886 CZ ARG A 55 6.253 12.420 -2.989 1.00 1.68 C ATOM 887 NH1 ARG A 55 7.464 12.333 -2.454 1.00 1.47 N ATOM 888 NH2 ARG A 55 6.120 12.735 -4.270 1.00 2.51 N ATOM 0 H ARG A 55 1.850 11.291 1.823 1.00 0.37 H new ATOM 0 HA ARG A 55 1.350 13.922 0.610 1.00 0.40 H new ATOM 0 HB2 ARG A 55 2.993 13.357 -1.185 1.00 0.60 H new ATOM 0 HB3 ARG A 55 3.731 13.704 0.366 1.00 0.60 H new ATOM 0 HG2 ARG A 55 3.932 11.246 0.790 1.00 1.07 H new ATOM 0 HG3 ARG A 55 3.259 10.936 -0.798 1.00 1.07 H new ATOM 0 HD2 ARG A 55 5.789 12.547 -0.277 1.00 1.04 H new ATOM 0 HD3 ARG A 55 5.766 10.855 -0.733 1.00 1.04 H new ATOM 0 HE ARG A 55 4.257 12.263 -2.686 1.00 1.50 H new ATOM 0 HH11 ARG A 55 7.571 12.081 -1.472 1.00 1.47 H new ATOM 0 HH12 ARG A 55 8.288 12.519 -3.025 1.00 1.47 H new ATOM 0 HH21 ARG A 55 5.191 12.792 -4.687 1.00 2.51 H new ATOM 0 HH22 ARG A 55 6.947 12.920 -4.838 1.00 2.51 H new ATOM 902 N VAL A 56 0.171 12.789 -1.332 1.00 0.35 N ATOM 903 CA VAL A 56 -0.821 12.176 -2.204 1.00 0.35 C ATOM 904 C VAL A 56 -0.152 11.437 -3.365 1.00 0.38 C ATOM 905 O VAL A 56 0.907 11.844 -3.847 1.00 0.53 O ATOM 906 CB VAL A 56 -1.813 13.237 -2.749 1.00 0.49 C ATOM 907 CG1 VAL A 56 -1.096 14.275 -3.602 1.00 1.13 C ATOM 908 CG2 VAL A 56 -2.943 12.582 -3.533 1.00 1.25 C ATOM 0 H VAL A 56 0.359 13.770 -1.537 1.00 0.35 H new ATOM 0 HA VAL A 56 -1.378 11.452 -1.609 1.00 0.35 H new ATOM 0 HB VAL A 56 -2.250 13.749 -1.892 1.00 0.49 H new ATOM 0 HG11 VAL A 56 -1.817 15.005 -3.970 1.00 1.13 H new ATOM 0 HG12 VAL A 56 -0.341 14.782 -3.001 1.00 1.13 H new ATOM 0 HG13 VAL A 56 -0.616 13.782 -4.447 1.00 1.13 H new ATOM 0 HG21 VAL A 56 -3.622 13.350 -3.903 1.00 1.25 H new ATOM 0 HG22 VAL A 56 -2.528 12.029 -4.375 1.00 1.25 H new ATOM 0 HG23 VAL A 56 -3.488 11.898 -2.883 1.00 1.25 H new ATOM 918 N TYR A 57 -0.761 10.337 -3.784 1.00 0.30 N ATOM 919 CA TYR A 57 -0.281 9.567 -4.918 1.00 0.33 C ATOM 920 C TYR A 57 -1.435 9.241 -5.846 1.00 0.29 C ATOM 921 O TYR A 57 -2.558 9.010 -5.392 1.00 0.25 O ATOM 922 CB TYR A 57 0.376 8.260 -4.458 1.00 0.36 C ATOM 923 CG TYR A 57 1.775 8.423 -3.908 1.00 0.47 C ATOM 924 CD1 TYR A 57 2.867 8.452 -4.765 1.00 0.70 C ATOM 925 CD2 TYR A 57 2.008 8.536 -2.543 1.00 0.46 C ATOM 926 CE1 TYR A 57 4.152 8.587 -4.280 1.00 0.82 C ATOM 927 CE2 TYR A 57 3.293 8.673 -2.049 1.00 0.56 C ATOM 928 CZ TYR A 57 4.360 8.696 -2.924 1.00 0.70 C ATOM 929 OH TYR A 57 5.642 8.833 -2.443 1.00 0.83 O ATOM 0 H TYR A 57 -1.600 9.955 -3.347 1.00 0.30 H new ATOM 0 HA TYR A 57 0.461 10.168 -5.443 1.00 0.33 H new ATOM 0 HB2 TYR A 57 -0.251 7.802 -3.693 1.00 0.36 H new ATOM 0 HB3 TYR A 57 0.408 7.568 -5.300 1.00 0.36 H new ATOM 0 HD1 TYR A 57 2.708 8.367 -5.830 1.00 0.70 H new ATOM 0 HD2 TYR A 57 1.174 8.517 -1.857 1.00 0.46 H new ATOM 0 HE1 TYR A 57 4.990 8.607 -4.961 1.00 0.82 H new ATOM 0 HE2 TYR A 57 3.460 8.761 -0.986 1.00 0.56 H new ATOM 0 HH TYR A 57 6.281 8.714 -3.176 1.00 0.83 H new ATOM 939 N ARG A 58 -1.166 9.235 -7.140 1.00 0.36 N ATOM 940 CA ARG A 58 -2.160 8.825 -8.114 1.00 0.34 C ATOM 941 C ARG A 58 -2.063 7.324 -8.330 1.00 0.32 C ATOM 942 O ARG A 58 -1.221 6.846 -9.091 1.00 0.39 O ATOM 943 CB ARG A 58 -1.965 9.572 -9.438 1.00 0.41 C ATOM 944 CG ARG A 58 -2.956 9.173 -10.524 1.00 0.47 C ATOM 945 CD ARG A 58 -4.395 9.443 -10.109 1.00 1.05 C ATOM 946 NE ARG A 58 -4.679 10.873 -9.978 1.00 1.91 N ATOM 947 CZ ARG A 58 -5.858 11.367 -9.599 1.00 2.95 C ATOM 948 NH1 ARG A 58 -6.854 10.549 -9.286 1.00 3.38 N ATOM 949 NH2 ARG A 58 -6.044 12.683 -9.540 1.00 3.81 N ATOM 0 H ARG A 58 -0.268 9.509 -7.539 1.00 0.36 H new ATOM 0 HA ARG A 58 -3.152 9.072 -7.735 1.00 0.34 H new ATOM 0 HB2 ARG A 58 -2.053 10.643 -9.256 1.00 0.41 H new ATOM 0 HB3 ARG A 58 -0.953 9.392 -9.800 1.00 0.41 H new ATOM 0 HG2 ARG A 58 -2.733 9.723 -11.438 1.00 0.47 H new ATOM 0 HG3 ARG A 58 -2.837 8.114 -10.752 1.00 0.47 H new ATOM 0 HD2 ARG A 58 -5.070 9.007 -10.845 1.00 1.05 H new ATOM 0 HD3 ARG A 58 -4.596 8.947 -9.159 1.00 1.05 H new ATOM 0 HE ARG A 58 -3.929 11.532 -10.190 1.00 1.91 H new ATOM 0 HH11 ARG A 58 -6.719 9.539 -9.335 1.00 3.38 H new ATOM 0 HH12 ARG A 58 -7.755 10.930 -8.996 1.00 3.38 H new ATOM 0 HH21 ARG A 58 -5.284 13.317 -9.785 1.00 3.81 H new ATOM 0 HH22 ARG A 58 -6.947 13.058 -9.250 1.00 3.81 H new ATOM 963 N VAL A 59 -2.905 6.587 -7.628 1.00 0.29 N ATOM 964 CA VAL A 59 -2.938 5.143 -7.739 1.00 0.27 C ATOM 965 C VAL A 59 -3.413 4.728 -9.122 1.00 0.27 C ATOM 966 O VAL A 59 -4.543 5.035 -9.511 1.00 0.29 O ATOM 967 CB VAL A 59 -3.872 4.533 -6.682 1.00 0.23 C ATOM 968 CG1 VAL A 59 -3.857 3.017 -6.747 1.00 0.25 C ATOM 969 CG2 VAL A 59 -3.487 5.016 -5.297 1.00 0.24 C ATOM 0 H VAL A 59 -3.581 6.972 -6.969 1.00 0.29 H new ATOM 0 HA VAL A 59 -1.925 4.774 -7.575 1.00 0.27 H new ATOM 0 HB VAL A 59 -4.889 4.864 -6.895 1.00 0.23 H new ATOM 0 HG11 VAL A 59 -4.527 2.614 -5.988 1.00 0.25 H new ATOM 0 HG12 VAL A 59 -4.188 2.692 -7.733 1.00 0.25 H new ATOM 0 HG13 VAL A 59 -2.845 2.655 -6.567 1.00 0.25 H new ATOM 0 HG21 VAL A 59 -4.157 4.576 -4.559 1.00 0.24 H new ATOM 0 HG22 VAL A 59 -2.461 4.718 -5.080 1.00 0.24 H new ATOM 0 HG23 VAL A 59 -3.565 6.102 -5.256 1.00 0.24 H new ATOM 979 N ASN A 60 -2.546 4.038 -9.856 1.00 0.28 N ATOM 980 CA ASN A 60 -2.867 3.585 -11.203 1.00 0.32 C ATOM 981 C ASN A 60 -3.638 2.274 -11.144 1.00 0.35 C ATOM 982 O ASN A 60 -4.409 1.948 -12.044 1.00 0.46 O ATOM 983 CB ASN A 60 -1.587 3.414 -12.028 1.00 0.39 C ATOM 984 CG ASN A 60 -1.865 3.010 -13.465 1.00 1.24 C ATOM 985 OD1 ASN A 60 -2.100 3.859 -14.325 1.00 1.61 O ATOM 986 ND2 ASN A 60 -1.822 1.714 -13.740 1.00 2.10 N ATOM 0 H ASN A 60 -1.612 3.780 -9.538 1.00 0.28 H new ATOM 0 HA ASN A 60 -3.491 4.337 -11.686 1.00 0.32 H new ATOM 0 HB2 ASN A 60 -1.027 4.349 -12.020 1.00 0.39 H new ATOM 0 HB3 ASN A 60 -0.955 2.660 -11.559 1.00 0.39 H new ATOM 0 HD21 ASN A 60 -1.987 1.389 -14.693 1.00 2.10 H new ATOM 0 HD22 ASN A 60 -1.624 1.042 -12.999 1.00 2.10 H new ATOM 993 N GLY A 61 -3.415 1.522 -10.079 1.00 0.29 N ATOM 994 CA GLY A 61 -4.149 0.293 -9.874 1.00 0.35 C ATOM 995 C GLY A 61 -3.535 -0.561 -8.787 1.00 0.30 C ATOM 996 O GLY A 61 -3.152 -0.053 -7.735 1.00 0.24 O ATOM 0 H GLY A 61 -2.736 1.742 -9.350 1.00 0.29 H new ATOM 0 HA2 GLY A 61 -5.181 0.527 -9.612 1.00 0.35 H new ATOM 0 HA3 GLY A 61 -4.177 -0.272 -10.806 1.00 0.35 H new ATOM 1000 N LEU A 62 -3.418 -1.851 -9.045 1.00 0.40 N ATOM 1001 CA LEU A 62 -2.948 -2.788 -8.038 1.00 0.37 C ATOM 1002 C LEU A 62 -1.916 -3.734 -8.620 1.00 0.40 C ATOM 1003 O LEU A 62 -1.813 -3.890 -9.837 1.00 0.46 O ATOM 1004 CB LEU A 62 -4.126 -3.583 -7.482 1.00 0.36 C ATOM 1005 CG LEU A 62 -5.154 -2.746 -6.727 1.00 0.36 C ATOM 1006 CD1 LEU A 62 -6.363 -3.585 -6.363 1.00 0.41 C ATOM 1007 CD2 LEU A 62 -4.525 -2.145 -5.482 1.00 0.42 C ATOM 0 H LEU A 62 -3.642 -2.275 -9.945 1.00 0.40 H new ATOM 0 HA LEU A 62 -2.479 -2.222 -7.233 1.00 0.37 H new ATOM 0 HB2 LEU A 62 -4.626 -4.092 -8.306 1.00 0.36 H new ATOM 0 HB3 LEU A 62 -3.744 -4.355 -6.814 1.00 0.36 H new ATOM 0 HG LEU A 62 -5.487 -1.936 -7.375 1.00 0.36 H new ATOM 0 HD11 LEU A 62 -7.084 -2.970 -5.825 1.00 0.41 H new ATOM 0 HD12 LEU A 62 -6.823 -3.973 -7.272 1.00 0.41 H new ATOM 0 HD13 LEU A 62 -6.052 -4.416 -5.730 1.00 0.41 H new ATOM 0 HD21 LEU A 62 -5.267 -1.550 -4.951 1.00 0.42 H new ATOM 0 HD22 LEU A 62 -4.168 -2.944 -4.832 1.00 0.42 H new ATOM 0 HD23 LEU A 62 -3.687 -1.509 -5.768 1.00 0.42 H new ATOM 1019 N SER A 63 -1.147 -4.349 -7.745 1.00 0.39 N ATOM 1020 CA SER A 63 -0.146 -5.308 -8.159 1.00 0.45 C ATOM 1021 C SER A 63 -0.728 -6.717 -8.093 1.00 0.43 C ATOM 1022 O SER A 63 -1.769 -6.939 -7.477 1.00 0.51 O ATOM 1023 CB SER A 63 1.079 -5.193 -7.262 1.00 0.53 C ATOM 1024 OG SER A 63 2.203 -5.827 -7.850 1.00 1.45 O ATOM 0 H SER A 63 -1.198 -4.200 -6.737 1.00 0.39 H new ATOM 0 HA SER A 63 0.155 -5.101 -9.186 1.00 0.45 H new ATOM 0 HB2 SER A 63 1.304 -4.142 -7.081 1.00 0.53 H new ATOM 0 HB3 SER A 63 0.868 -5.645 -6.293 1.00 0.53 H new ATOM 0 HG SER A 63 2.423 -6.637 -7.344 1.00 1.45 H new ATOM 1030 N ARG A 64 -0.039 -7.662 -8.720 1.00 0.51 N ATOM 1031 CA ARG A 64 -0.556 -9.014 -8.889 1.00 0.56 C ATOM 1032 C ARG A 64 -0.186 -9.902 -7.702 1.00 0.47 C ATOM 1033 O ARG A 64 -0.641 -11.044 -7.605 1.00 0.54 O ATOM 1034 CB ARG A 64 0.002 -9.608 -10.188 1.00 0.75 C ATOM 1035 CG ARG A 64 -0.790 -10.789 -10.733 1.00 1.20 C ATOM 1036 CD ARG A 64 -2.232 -10.403 -11.015 1.00 1.80 C ATOM 1037 NE ARG A 64 -2.325 -9.168 -11.793 1.00 2.42 N ATOM 1038 CZ ARG A 64 -3.350 -8.322 -11.724 1.00 3.15 C ATOM 1039 NH1 ARG A 64 -4.391 -8.601 -10.953 1.00 3.47 N ATOM 1040 NH2 ARG A 64 -3.333 -7.196 -12.428 1.00 3.98 N ATOM 0 H ARG A 64 0.887 -7.515 -9.123 1.00 0.51 H new ATOM 0 HA ARG A 64 -1.644 -8.968 -8.941 1.00 0.56 H new ATOM 0 HB2 ARG A 64 0.032 -8.826 -10.947 1.00 0.75 H new ATOM 0 HB3 ARG A 64 1.031 -9.925 -10.015 1.00 0.75 H new ATOM 0 HG2 ARG A 64 -0.323 -11.152 -11.648 1.00 1.20 H new ATOM 0 HG3 ARG A 64 -0.764 -11.609 -10.015 1.00 1.20 H new ATOM 0 HD2 ARG A 64 -2.725 -11.211 -11.556 1.00 1.80 H new ATOM 0 HD3 ARG A 64 -2.765 -10.279 -10.073 1.00 1.80 H new ATOM 0 HE ARG A 64 -1.558 -8.942 -12.426 1.00 2.42 H new ATOM 0 HH11 ARG A 64 -4.407 -9.465 -10.411 1.00 3.47 H new ATOM 0 HH12 ARG A 64 -5.176 -7.952 -10.901 1.00 3.47 H new ATOM 0 HH21 ARG A 64 -2.533 -6.978 -13.023 1.00 3.98 H new ATOM 0 HH22 ARG A 64 -4.119 -6.549 -12.374 1.00 3.98 H new ATOM 1054 N ALA A 65 0.637 -9.378 -6.805 1.00 0.42 N ATOM 1055 CA ALA A 65 1.093 -10.144 -5.655 1.00 0.44 C ATOM 1056 C ALA A 65 1.100 -9.297 -4.388 1.00 0.42 C ATOM 1057 O ALA A 65 1.452 -8.116 -4.419 1.00 0.43 O ATOM 1058 CB ALA A 65 2.479 -10.710 -5.919 1.00 0.59 C ATOM 0 H ALA A 65 1.002 -8.427 -6.852 1.00 0.42 H new ATOM 0 HA ALA A 65 0.394 -10.966 -5.501 1.00 0.44 H new ATOM 0 HB1 ALA A 65 2.810 -11.281 -5.052 1.00 0.59 H new ATOM 0 HB2 ALA A 65 2.446 -11.362 -6.792 1.00 0.59 H new ATOM 0 HB3 ALA A 65 3.177 -9.893 -6.103 1.00 0.59 H new ATOM 1064 N PRO A 66 0.684 -9.896 -3.262 1.00 0.41 N ATOM 1065 CA PRO A 66 0.708 -9.238 -1.952 1.00 0.42 C ATOM 1066 C PRO A 66 2.134 -9.026 -1.448 1.00 0.43 C ATOM 1067 O PRO A 66 3.060 -9.745 -1.829 1.00 0.45 O ATOM 1068 CB PRO A 66 -0.039 -10.221 -1.045 1.00 0.46 C ATOM 1069 CG PRO A 66 0.105 -11.543 -1.711 1.00 0.62 C ATOM 1070 CD PRO A 66 0.138 -11.263 -3.186 1.00 0.46 C ATOM 0 HA PRO A 66 0.260 -8.245 -1.982 1.00 0.42 H new ATOM 0 HB2 PRO A 66 0.388 -10.235 -0.042 1.00 0.46 H new ATOM 0 HB3 PRO A 66 -1.088 -9.943 -0.941 1.00 0.46 H new ATOM 0 HG2 PRO A 66 1.017 -12.045 -1.389 1.00 0.62 H new ATOM 0 HG3 PRO A 66 -0.727 -12.200 -1.457 1.00 0.62 H new ATOM 0 HD2 PRO A 66 0.768 -11.977 -3.717 1.00 0.46 H new ATOM 0 HD3 PRO A 66 -0.856 -11.324 -3.629 1.00 0.46 H new ATOM 1078 N ALA A 67 2.287 -8.038 -0.568 1.00 0.54 N ATOM 1079 CA ALA A 67 3.598 -7.572 -0.111 1.00 0.63 C ATOM 1080 C ALA A 67 4.428 -8.666 0.556 1.00 0.52 C ATOM 1081 O ALA A 67 5.656 -8.579 0.591 1.00 0.57 O ATOM 1082 CB ALA A 67 3.431 -6.406 0.848 1.00 0.88 C ATOM 0 H ALA A 67 1.504 -7.536 -0.150 1.00 0.54 H new ATOM 0 HA ALA A 67 4.142 -7.257 -1.002 1.00 0.63 H new ATOM 0 HB1 ALA A 67 4.411 -6.067 1.182 1.00 0.88 H new ATOM 0 HB2 ALA A 67 2.917 -5.589 0.341 1.00 0.88 H new ATOM 0 HB3 ALA A 67 2.844 -6.725 1.710 1.00 0.88 H new ATOM 1088 N SER A 68 3.764 -9.678 1.100 1.00 0.49 N ATOM 1089 CA SER A 68 4.462 -10.766 1.772 1.00 0.52 C ATOM 1090 C SER A 68 4.826 -11.870 0.781 1.00 0.47 C ATOM 1091 O SER A 68 5.474 -12.855 1.141 1.00 0.58 O ATOM 1092 CB SER A 68 3.598 -11.330 2.905 1.00 0.64 C ATOM 1093 OG SER A 68 4.347 -12.194 3.742 1.00 1.73 O ATOM 0 H SER A 68 2.748 -9.768 1.089 1.00 0.49 H new ATOM 0 HA SER A 68 5.385 -10.371 2.197 1.00 0.52 H new ATOM 0 HB2 SER A 68 3.190 -10.510 3.497 1.00 0.64 H new ATOM 0 HB3 SER A 68 2.751 -11.872 2.484 1.00 0.64 H new ATOM 0 HG SER A 68 4.975 -12.714 3.198 1.00 1.73 H new ATOM 1099 N SER A 69 4.420 -11.696 -0.469 1.00 0.43 N ATOM 1100 CA SER A 69 4.691 -12.684 -1.499 1.00 0.52 C ATOM 1101 C SER A 69 5.392 -12.031 -2.689 1.00 0.56 C ATOM 1102 O SER A 69 5.299 -12.505 -3.822 1.00 0.88 O ATOM 1103 CB SER A 69 3.385 -13.360 -1.936 1.00 0.67 C ATOM 1104 OG SER A 69 3.629 -14.438 -2.824 1.00 1.30 O ATOM 0 H SER A 69 3.902 -10.879 -0.792 1.00 0.43 H new ATOM 0 HA SER A 69 5.354 -13.448 -1.093 1.00 0.52 H new ATOM 0 HB2 SER A 69 2.851 -13.724 -1.058 1.00 0.67 H new ATOM 0 HB3 SER A 69 2.739 -12.627 -2.420 1.00 0.67 H new ATOM 0 HG SER A 69 4.292 -14.167 -3.493 1.00 1.30 H new ATOM 1110 N GLU A 70 6.082 -10.930 -2.422 1.00 0.52 N ATOM 1111 CA GLU A 70 6.872 -10.256 -3.441 1.00 0.53 C ATOM 1112 C GLU A 70 8.249 -9.911 -2.883 1.00 0.47 C ATOM 1113 O GLU A 70 8.360 -9.206 -1.880 1.00 0.45 O ATOM 1114 CB GLU A 70 6.164 -8.990 -3.932 1.00 0.64 C ATOM 1115 CG GLU A 70 6.935 -8.233 -5.008 1.00 1.19 C ATOM 1116 CD GLU A 70 7.113 -9.033 -6.286 1.00 1.34 C ATOM 1117 OE1 GLU A 70 7.873 -10.023 -6.269 1.00 1.74 O ATOM 1118 OE2 GLU A 70 6.486 -8.684 -7.310 1.00 1.91 O ATOM 0 H GLU A 70 6.110 -10.484 -1.505 1.00 0.52 H new ATOM 0 HA GLU A 70 6.989 -10.928 -4.291 1.00 0.53 H new ATOM 0 HB2 GLU A 70 5.184 -9.262 -4.324 1.00 0.64 H new ATOM 0 HB3 GLU A 70 5.996 -8.327 -3.084 1.00 0.64 H new ATOM 0 HG2 GLU A 70 6.411 -7.305 -5.237 1.00 1.19 H new ATOM 0 HG3 GLU A 70 7.915 -7.958 -4.619 1.00 1.19 H new ATOM 1125 N THR A 71 9.287 -10.419 -3.530 1.00 0.52 N ATOM 1126 CA THR A 71 10.652 -10.212 -3.072 1.00 0.53 C ATOM 1127 C THR A 71 11.417 -9.283 -4.006 1.00 0.61 C ATOM 1128 O THR A 71 11.211 -9.300 -5.220 1.00 0.70 O ATOM 1129 CB THR A 71 11.419 -11.547 -2.983 1.00 0.54 C ATOM 1130 OG1 THR A 71 11.366 -12.232 -4.242 1.00 1.06 O ATOM 1131 CG2 THR A 71 10.852 -12.446 -1.898 1.00 0.91 C ATOM 0 H THR A 71 9.209 -10.980 -4.378 1.00 0.52 H new ATOM 0 HA THR A 71 10.583 -9.759 -2.083 1.00 0.53 H new ATOM 0 HB THR A 71 12.454 -11.315 -2.731 1.00 0.54 H new ATOM 0 HG1 THR A 71 11.403 -13.199 -4.090 1.00 1.06 H new ATOM 0 HG21 THR A 71 11.417 -13.377 -1.865 1.00 0.91 H new ATOM 0 HG22 THR A 71 10.925 -11.943 -0.934 1.00 0.91 H new ATOM 0 HG23 THR A 71 9.806 -12.664 -2.116 1.00 0.91 H new ATOM 1139 N PHE A 72 12.293 -8.473 -3.438 1.00 0.63 N ATOM 1140 CA PHE A 72 13.220 -7.688 -4.227 1.00 0.72 C ATOM 1141 C PHE A 72 14.642 -7.981 -3.767 1.00 0.70 C ATOM 1142 O PHE A 72 14.888 -8.191 -2.577 1.00 0.66 O ATOM 1143 CB PHE A 72 12.903 -6.185 -4.146 1.00 0.84 C ATOM 1144 CG PHE A 72 12.984 -5.586 -2.765 1.00 0.56 C ATOM 1145 CD1 PHE A 72 11.909 -5.658 -1.894 1.00 0.85 C ATOM 1146 CD2 PHE A 72 14.135 -4.934 -2.348 1.00 0.55 C ATOM 1147 CE1 PHE A 72 11.981 -5.094 -0.633 1.00 1.33 C ATOM 1148 CE2 PHE A 72 14.213 -4.371 -1.089 1.00 0.79 C ATOM 1149 CZ PHE A 72 13.135 -4.450 -0.232 1.00 1.27 C ATOM 0 H PHE A 72 12.380 -8.343 -2.430 1.00 0.63 H new ATOM 0 HA PHE A 72 13.118 -7.971 -5.275 1.00 0.72 H new ATOM 0 HB2 PHE A 72 13.592 -5.649 -4.798 1.00 0.84 H new ATOM 0 HB3 PHE A 72 11.899 -6.020 -4.538 1.00 0.84 H new ATOM 0 HD1 PHE A 72 11.004 -6.160 -2.203 1.00 0.85 H new ATOM 0 HD2 PHE A 72 14.981 -4.866 -3.016 1.00 0.55 H new ATOM 0 HE1 PHE A 72 11.136 -5.157 0.037 1.00 1.33 H new ATOM 0 HE2 PHE A 72 15.117 -3.870 -0.776 1.00 0.79 H new ATOM 0 HZ PHE A 72 13.193 -4.009 0.752 1.00 1.27 H new ATOM 1159 N GLU A 73 15.563 -8.046 -4.715 1.00 0.81 N ATOM 1160 CA GLU A 73 16.947 -8.367 -4.409 1.00 0.85 C ATOM 1161 C GLU A 73 17.718 -7.100 -4.071 1.00 0.87 C ATOM 1162 O GLU A 73 17.989 -6.271 -4.942 1.00 0.95 O ATOM 1163 CB GLU A 73 17.603 -9.095 -5.586 1.00 1.02 C ATOM 1164 CG GLU A 73 19.016 -9.572 -5.295 1.00 1.12 C ATOM 1165 CD GLU A 73 19.631 -10.321 -6.457 1.00 1.45 C ATOM 1166 OE1 GLU A 73 20.252 -9.678 -7.329 1.00 1.58 O ATOM 1167 OE2 GLU A 73 19.501 -11.562 -6.504 1.00 2.00 O ATOM 0 H GLU A 73 15.376 -7.880 -5.704 1.00 0.81 H new ATOM 0 HA GLU A 73 16.967 -9.029 -3.543 1.00 0.85 H new ATOM 0 HB2 GLU A 73 16.988 -9.952 -5.860 1.00 1.02 H new ATOM 0 HB3 GLU A 73 17.624 -8.429 -6.448 1.00 1.02 H new ATOM 0 HG2 GLU A 73 19.641 -8.714 -5.050 1.00 1.12 H new ATOM 0 HG3 GLU A 73 19.003 -10.218 -4.417 1.00 1.12 H new ATOM 1174 N HIS A 74 18.048 -6.947 -2.803 1.00 0.85 N ATOM 1175 CA HIS A 74 18.803 -5.797 -2.347 1.00 0.94 C ATOM 1176 C HIS A 74 20.166 -6.245 -1.834 1.00 1.04 C ATOM 1177 O HIS A 74 20.257 -6.928 -0.810 1.00 1.03 O ATOM 1178 CB HIS A 74 18.037 -5.052 -1.247 1.00 0.95 C ATOM 1179 CG HIS A 74 18.705 -3.790 -0.782 1.00 1.21 C ATOM 1180 ND1 HIS A 74 18.449 -2.578 -1.377 1.00 1.83 N ATOM 1181 CD2 HIS A 74 19.605 -3.609 0.217 1.00 1.63 C ATOM 1182 CE1 HIS A 74 19.193 -1.695 -0.735 1.00 1.89 C ATOM 1183 NE2 HIS A 74 19.910 -2.271 0.240 1.00 1.71 N ATOM 0 H HIS A 74 17.803 -7.609 -2.067 1.00 0.85 H new ATOM 0 HA HIS A 74 18.946 -5.115 -3.185 1.00 0.94 H new ATOM 0 HB2 HIS A 74 17.040 -4.809 -1.614 1.00 0.95 H new ATOM 0 HB3 HIS A 74 17.908 -5.718 -0.394 1.00 0.95 H new ATOM 0 HD2 HIS A 74 20.005 -4.372 0.869 1.00 1.63 H new ATOM 0 HE1 HIS A 74 19.220 -0.641 -0.967 1.00 1.89 H new ATOM 0 HE2 HIS A 74 20.557 -1.805 0.876 1.00 1.71 H new ATOM 1191 N ASP A 75 21.210 -5.877 -2.570 1.00 1.23 N ATOM 1192 CA ASP A 75 22.589 -6.187 -2.194 1.00 1.40 C ATOM 1193 C ASP A 75 22.799 -7.703 -2.115 1.00 1.35 C ATOM 1194 O ASP A 75 23.423 -8.216 -1.185 1.00 1.42 O ATOM 1195 CB ASP A 75 22.948 -5.507 -0.865 1.00 1.50 C ATOM 1196 CG ASP A 75 24.439 -5.492 -0.580 1.00 1.87 C ATOM 1197 OD1 ASP A 75 25.226 -5.360 -1.538 1.00 2.24 O ATOM 1198 OD2 ASP A 75 24.833 -5.656 0.593 1.00 2.37 O ATOM 0 H ASP A 75 21.126 -5.356 -3.443 1.00 1.23 H new ATOM 0 HA ASP A 75 23.256 -5.797 -2.963 1.00 1.40 H new ATOM 0 HB2 ASP A 75 22.578 -4.482 -0.878 1.00 1.50 H new ATOM 0 HB3 ASP A 75 22.435 -6.021 -0.052 1.00 1.50 H new ATOM 1203 N GLY A 76 22.250 -8.411 -3.097 1.00 1.31 N ATOM 1204 CA GLY A 76 22.426 -9.849 -3.182 1.00 1.35 C ATOM 1205 C GLY A 76 21.539 -10.624 -2.223 1.00 1.18 C ATOM 1206 O GLY A 76 21.734 -11.824 -2.029 1.00 1.26 O ATOM 0 H GLY A 76 21.681 -8.009 -3.842 1.00 1.31 H new ATOM 0 HA2 GLY A 76 22.217 -10.173 -4.201 1.00 1.35 H new ATOM 0 HA3 GLY A 76 23.469 -10.092 -2.978 1.00 1.35 H new ATOM 1210 N LYS A 77 20.564 -9.949 -1.627 1.00 1.01 N ATOM 1211 CA LYS A 77 19.683 -10.587 -0.656 1.00 0.88 C ATOM 1212 C LYS A 77 18.224 -10.420 -1.058 1.00 0.78 C ATOM 1213 O LYS A 77 17.805 -9.333 -1.453 1.00 0.79 O ATOM 1214 CB LYS A 77 19.903 -9.986 0.736 1.00 0.93 C ATOM 1215 CG LYS A 77 21.339 -10.081 1.225 1.00 1.19 C ATOM 1216 CD LYS A 77 21.776 -11.523 1.441 1.00 1.33 C ATOM 1217 CE LYS A 77 21.025 -12.173 2.592 1.00 2.02 C ATOM 1218 NZ LYS A 77 21.466 -13.574 2.822 1.00 2.54 N ATOM 0 H LYS A 77 20.363 -8.964 -1.798 1.00 1.01 H new ATOM 0 HA LYS A 77 19.921 -11.650 -0.632 1.00 0.88 H new ATOM 0 HB2 LYS A 77 19.603 -8.938 0.721 1.00 0.93 H new ATOM 0 HB3 LYS A 77 19.252 -10.494 1.448 1.00 0.93 H new ATOM 0 HG2 LYS A 77 22.001 -9.607 0.500 1.00 1.19 H new ATOM 0 HG3 LYS A 77 21.441 -9.528 2.159 1.00 1.19 H new ATOM 0 HD2 LYS A 77 21.608 -12.095 0.528 1.00 1.33 H new ATOM 0 HD3 LYS A 77 22.847 -11.552 1.643 1.00 1.33 H new ATOM 0 HE2 LYS A 77 21.179 -11.590 3.500 1.00 2.02 H new ATOM 0 HE3 LYS A 77 19.956 -12.159 2.381 1.00 2.02 H new ATOM 0 HZ1 LYS A 77 20.930 -13.981 3.615 1.00 2.54 H new ATOM 0 HZ2 LYS A 77 21.296 -14.137 1.964 1.00 2.54 H new ATOM 0 HZ3 LYS A 77 22.481 -13.586 3.048 1.00 2.54 H new ATOM 1232 N LYS A 78 17.458 -11.499 -0.964 1.00 0.74 N ATOM 1233 CA LYS A 78 16.036 -11.459 -1.277 1.00 0.72 C ATOM 1234 C LYS A 78 15.221 -11.130 -0.035 1.00 0.64 C ATOM 1235 O LYS A 78 15.207 -11.890 0.931 1.00 0.78 O ATOM 1236 CB LYS A 78 15.558 -12.795 -1.851 1.00 0.81 C ATOM 1237 CG LYS A 78 16.197 -13.168 -3.177 1.00 0.92 C ATOM 1238 CD LYS A 78 15.675 -14.502 -3.697 1.00 1.05 C ATOM 1239 CE LYS A 78 14.195 -14.440 -4.056 1.00 1.73 C ATOM 1240 NZ LYS A 78 13.936 -13.535 -5.206 1.00 2.52 N ATOM 0 H LYS A 78 17.799 -12.415 -0.673 1.00 0.74 H new ATOM 0 HA LYS A 78 15.890 -10.679 -2.025 1.00 0.72 H new ATOM 0 HB2 LYS A 78 15.764 -13.583 -1.127 1.00 0.81 H new ATOM 0 HB3 LYS A 78 14.476 -12.756 -1.980 1.00 0.81 H new ATOM 0 HG2 LYS A 78 15.996 -12.387 -3.911 1.00 0.92 H new ATOM 0 HG3 LYS A 78 17.279 -13.222 -3.057 1.00 0.92 H new ATOM 0 HD2 LYS A 78 16.248 -14.797 -4.576 1.00 1.05 H new ATOM 0 HD3 LYS A 78 15.832 -15.271 -2.941 1.00 1.05 H new ATOM 0 HE2 LYS A 78 13.838 -15.442 -4.296 1.00 1.73 H new ATOM 0 HE3 LYS A 78 13.627 -14.098 -3.191 1.00 1.73 H new ATOM 0 HZ1 LYS A 78 13.158 -12.887 -4.969 1.00 2.52 H new ATOM 0 HZ2 LYS A 78 14.793 -12.985 -5.415 1.00 2.52 H new ATOM 0 HZ3 LYS A 78 13.675 -14.099 -6.040 1.00 2.52 H new ATOM 1254 N VAL A 79 14.549 -9.996 -0.071 1.00 0.53 N ATOM 1255 CA VAL A 79 13.676 -9.585 1.013 1.00 0.49 C ATOM 1256 C VAL A 79 12.340 -9.126 0.435 1.00 0.43 C ATOM 1257 O VAL A 79 12.297 -8.567 -0.660 1.00 0.45 O ATOM 1258 CB VAL A 79 14.333 -8.460 1.851 1.00 0.57 C ATOM 1259 CG1 VAL A 79 14.729 -7.283 0.974 1.00 1.31 C ATOM 1260 CG2 VAL A 79 13.423 -8.007 2.982 1.00 1.38 C ATOM 0 H VAL A 79 14.592 -9.336 -0.848 1.00 0.53 H new ATOM 0 HA VAL A 79 13.505 -10.431 1.678 1.00 0.49 H new ATOM 0 HB VAL A 79 15.239 -8.871 2.296 1.00 0.57 H new ATOM 0 HG11 VAL A 79 15.187 -6.509 1.589 1.00 1.31 H new ATOM 0 HG12 VAL A 79 15.441 -7.615 0.219 1.00 1.31 H new ATOM 0 HG13 VAL A 79 13.843 -6.880 0.484 1.00 1.31 H new ATOM 0 HG21 VAL A 79 13.914 -7.217 3.550 1.00 1.38 H new ATOM 0 HG22 VAL A 79 12.489 -7.629 2.568 1.00 1.38 H new ATOM 0 HG23 VAL A 79 13.213 -8.850 3.640 1.00 1.38 H new ATOM 1270 N THR A 80 11.250 -9.390 1.144 1.00 0.42 N ATOM 1271 CA THR A 80 9.930 -9.053 0.638 1.00 0.40 C ATOM 1272 C THR A 80 9.580 -7.607 0.961 1.00 0.39 C ATOM 1273 O THR A 80 10.211 -6.997 1.827 1.00 0.42 O ATOM 1274 CB THR A 80 8.831 -9.976 1.214 1.00 0.42 C ATOM 1275 OG1 THR A 80 8.725 -9.800 2.631 1.00 0.49 O ATOM 1276 CG2 THR A 80 9.127 -11.433 0.907 1.00 0.45 C ATOM 0 H THR A 80 11.255 -9.833 2.063 1.00 0.42 H new ATOM 0 HA THR A 80 9.967 -9.193 -0.442 1.00 0.40 H new ATOM 0 HB THR A 80 7.887 -9.704 0.743 1.00 0.42 H new ATOM 0 HG1 THR A 80 8.025 -10.389 2.982 1.00 0.49 H new ATOM 0 HG21 THR A 80 8.339 -12.060 1.323 1.00 0.45 H new ATOM 0 HG22 THR A 80 9.172 -11.576 -0.173 1.00 0.45 H new ATOM 0 HG23 THR A 80 10.083 -11.711 1.350 1.00 0.45 H new ATOM 1284 N ILE A 81 8.589 -7.058 0.271 1.00 0.40 N ATOM 1285 CA ILE A 81 8.137 -5.702 0.554 1.00 0.40 C ATOM 1286 C ILE A 81 7.691 -5.598 2.011 1.00 0.36 C ATOM 1287 O ILE A 81 8.035 -4.649 2.717 1.00 0.37 O ATOM 1288 CB ILE A 81 6.972 -5.279 -0.370 1.00 0.44 C ATOM 1289 CG1 ILE A 81 7.346 -5.472 -1.844 1.00 0.60 C ATOM 1290 CG2 ILE A 81 6.578 -3.830 -0.106 1.00 0.48 C ATOM 1291 CD1 ILE A 81 8.507 -4.610 -2.305 1.00 0.81 C ATOM 0 H ILE A 81 8.086 -7.526 -0.483 1.00 0.40 H new ATOM 0 HA ILE A 81 8.976 -5.031 0.369 1.00 0.40 H new ATOM 0 HB ILE A 81 6.116 -5.917 -0.149 1.00 0.44 H new ATOM 0 HG12 ILE A 81 7.596 -6.520 -2.010 1.00 0.60 H new ATOM 0 HG13 ILE A 81 6.475 -5.251 -2.461 1.00 0.60 H new ATOM 0 HG21 ILE A 81 5.757 -3.550 -0.766 1.00 0.48 H new ATOM 0 HG22 ILE A 81 6.263 -3.722 0.932 1.00 0.48 H new ATOM 0 HG23 ILE A 81 7.433 -3.180 -0.295 1.00 0.48 H new ATOM 0 HD11 ILE A 81 8.709 -4.805 -3.358 1.00 0.81 H new ATOM 0 HD12 ILE A 81 8.254 -3.558 -2.173 1.00 0.81 H new ATOM 0 HD13 ILE A 81 9.393 -4.847 -1.715 1.00 0.81 H new ATOM 1303 N ALA A 82 6.956 -6.609 2.463 1.00 0.36 N ATOM 1304 CA ALA A 82 6.474 -6.653 3.837 1.00 0.39 C ATOM 1305 C ALA A 82 7.635 -6.702 4.824 1.00 0.41 C ATOM 1306 O ALA A 82 7.633 -5.990 5.825 1.00 0.43 O ATOM 1307 CB ALA A 82 5.559 -7.850 4.039 1.00 0.44 C ATOM 0 H ALA A 82 6.681 -7.410 1.895 1.00 0.36 H new ATOM 0 HA ALA A 82 5.907 -5.741 4.025 1.00 0.39 H new ATOM 0 HB1 ALA A 82 5.207 -7.869 5.070 1.00 0.44 H new ATOM 0 HB2 ALA A 82 4.705 -7.773 3.366 1.00 0.44 H new ATOM 0 HB3 ALA A 82 6.108 -8.767 3.826 1.00 0.44 H new ATOM 1313 N SER A 83 8.629 -7.537 4.532 1.00 0.46 N ATOM 1314 CA SER A 83 9.808 -7.646 5.382 1.00 0.54 C ATOM 1315 C SER A 83 10.626 -6.358 5.374 1.00 0.53 C ATOM 1316 O SER A 83 11.325 -6.057 6.338 1.00 0.56 O ATOM 1317 CB SER A 83 10.674 -8.831 4.956 1.00 0.67 C ATOM 1318 OG SER A 83 10.013 -10.061 5.211 1.00 1.08 O ATOM 0 H SER A 83 8.640 -8.147 3.714 1.00 0.46 H new ATOM 0 HA SER A 83 9.462 -7.815 6.402 1.00 0.54 H new ATOM 0 HB2 SER A 83 10.907 -8.753 3.894 1.00 0.67 H new ATOM 0 HB3 SER A 83 11.622 -8.805 5.493 1.00 0.67 H new ATOM 0 HG SER A 83 9.423 -10.277 4.459 1.00 1.08 H new ATOM 1324 N TYR A 84 10.542 -5.596 4.289 1.00 0.51 N ATOM 1325 CA TYR A 84 11.209 -4.303 4.221 1.00 0.55 C ATOM 1326 C TYR A 84 10.627 -3.355 5.265 1.00 0.53 C ATOM 1327 O TYR A 84 11.363 -2.716 6.017 1.00 0.57 O ATOM 1328 CB TYR A 84 11.069 -3.701 2.820 1.00 0.58 C ATOM 1329 CG TYR A 84 11.733 -2.349 2.666 1.00 0.64 C ATOM 1330 CD1 TYR A 84 13.118 -2.235 2.594 1.00 0.74 C ATOM 1331 CD2 TYR A 84 10.976 -1.187 2.590 1.00 0.63 C ATOM 1332 CE1 TYR A 84 13.724 -1.000 2.452 1.00 0.81 C ATOM 1333 CE2 TYR A 84 11.576 0.049 2.446 1.00 0.71 C ATOM 1334 CZ TYR A 84 12.959 0.134 2.389 1.00 0.80 C ATOM 1335 OH TYR A 84 13.549 1.366 2.229 1.00 0.88 O ATOM 0 H TYR A 84 10.021 -5.850 3.449 1.00 0.51 H new ATOM 0 HA TYR A 84 12.269 -4.447 4.430 1.00 0.55 H new ATOM 0 HB2 TYR A 84 11.499 -4.391 2.094 1.00 0.58 H new ATOM 0 HB3 TYR A 84 10.010 -3.605 2.580 1.00 0.58 H new ATOM 0 HD1 TYR A 84 13.729 -3.124 2.650 1.00 0.74 H new ATOM 0 HD2 TYR A 84 9.899 -1.251 2.644 1.00 0.63 H new ATOM 0 HE1 TYR A 84 14.800 -0.930 2.391 1.00 0.81 H new ATOM 0 HE2 TYR A 84 10.973 0.942 2.378 1.00 0.71 H new ATOM 0 HH TYR A 84 12.857 2.059 2.204 1.00 0.88 H new ATOM 1345 N PHE A 85 9.302 -3.278 5.312 1.00 0.48 N ATOM 1346 CA PHE A 85 8.623 -2.470 6.318 1.00 0.48 C ATOM 1347 C PHE A 85 8.829 -3.070 7.704 1.00 0.51 C ATOM 1348 O PHE A 85 9.012 -2.346 8.680 1.00 0.59 O ATOM 1349 CB PHE A 85 7.132 -2.343 5.999 1.00 0.48 C ATOM 1350 CG PHE A 85 6.854 -1.495 4.790 1.00 0.51 C ATOM 1351 CD1 PHE A 85 6.823 -0.116 4.886 1.00 0.87 C ATOM 1352 CD2 PHE A 85 6.613 -2.083 3.559 1.00 0.57 C ATOM 1353 CE1 PHE A 85 6.558 0.664 3.777 1.00 0.94 C ATOM 1354 CE2 PHE A 85 6.349 -1.308 2.446 1.00 0.65 C ATOM 1355 CZ PHE A 85 6.358 0.075 2.552 1.00 0.70 C ATOM 0 H PHE A 85 8.678 -3.764 4.667 1.00 0.48 H new ATOM 0 HA PHE A 85 9.055 -1.469 6.305 1.00 0.48 H new ATOM 0 HB2 PHE A 85 6.715 -3.338 5.840 1.00 0.48 H new ATOM 0 HB3 PHE A 85 6.618 -1.916 6.860 1.00 0.48 H new ATOM 0 HD1 PHE A 85 7.008 0.357 5.839 1.00 0.87 H new ATOM 0 HD2 PHE A 85 6.632 -3.159 3.468 1.00 0.57 H new ATOM 0 HE1 PHE A 85 6.508 1.739 3.873 1.00 0.94 H new ATOM 0 HE2 PHE A 85 6.136 -1.777 1.497 1.00 0.65 H new ATOM 0 HZ PHE A 85 6.208 0.687 1.675 1.00 0.70 H new ATOM 1365 N HIS A 86 8.814 -4.396 7.775 1.00 0.49 N ATOM 1366 CA HIS A 86 9.072 -5.115 9.020 1.00 0.54 C ATOM 1367 C HIS A 86 10.456 -4.764 9.567 1.00 0.57 C ATOM 1368 O HIS A 86 10.651 -4.669 10.778 1.00 0.62 O ATOM 1369 CB HIS A 86 8.952 -6.627 8.778 1.00 0.57 C ATOM 1370 CG HIS A 86 9.261 -7.475 9.974 1.00 0.63 C ATOM 1371 ND1 HIS A 86 10.323 -8.346 9.977 1.00 0.96 N ATOM 1372 CD2 HIS A 86 8.618 -7.559 11.164 1.00 0.74 C ATOM 1373 CE1 HIS A 86 10.303 -8.937 11.159 1.00 0.98 C ATOM 1374 NE2 HIS A 86 9.288 -8.493 11.912 1.00 0.79 N ATOM 0 H HIS A 86 8.624 -5.002 6.977 1.00 0.49 H new ATOM 0 HA HIS A 86 8.332 -4.816 9.762 1.00 0.54 H new ATOM 0 HB2 HIS A 86 7.939 -6.849 8.443 1.00 0.57 H new ATOM 0 HB3 HIS A 86 9.624 -6.907 7.967 1.00 0.57 H new ATOM 0 HD2 HIS A 86 7.746 -6.998 11.465 1.00 0.74 H new ATOM 0 HE1 HIS A 86 11.015 -9.684 11.478 1.00 0.98 H new ATOM 0 HE2 HIS A 86 9.058 -8.792 12.860 1.00 0.79 H new ATOM 1382 N SER A 87 11.404 -4.564 8.661 1.00 0.57 N ATOM 1383 CA SER A 87 12.752 -4.144 9.018 1.00 0.65 C ATOM 1384 C SER A 87 12.730 -2.739 9.623 1.00 0.67 C ATOM 1385 O SER A 87 13.604 -2.370 10.408 1.00 0.75 O ATOM 1386 CB SER A 87 13.652 -4.185 7.775 1.00 0.68 C ATOM 1387 OG SER A 87 14.989 -3.821 8.076 1.00 1.36 O ATOM 0 H SER A 87 11.260 -4.688 7.659 1.00 0.57 H new ATOM 0 HA SER A 87 13.153 -4.828 9.766 1.00 0.65 H new ATOM 0 HB2 SER A 87 13.636 -5.188 7.349 1.00 0.68 H new ATOM 0 HB3 SER A 87 13.254 -3.510 7.017 1.00 0.68 H new ATOM 0 HG SER A 87 15.530 -3.861 7.260 1.00 1.36 H new ATOM 1393 N ARG A 88 11.710 -1.964 9.268 1.00 0.61 N ATOM 1394 CA ARG A 88 11.566 -0.603 9.766 1.00 0.67 C ATOM 1395 C ARG A 88 10.646 -0.577 10.985 1.00 0.64 C ATOM 1396 O ARG A 88 10.055 0.457 11.304 1.00 0.70 O ATOM 1397 CB ARG A 88 11.013 0.318 8.671 1.00 0.74 C ATOM 1398 CG ARG A 88 11.770 0.237 7.353 1.00 0.92 C ATOM 1399 CD ARG A 88 13.260 0.502 7.530 1.00 0.97 C ATOM 1400 NE ARG A 88 13.541 1.866 7.982 1.00 1.13 N ATOM 1401 CZ ARG A 88 14.653 2.537 7.674 1.00 1.42 C ATOM 1402 NH1 ARG A 88 15.579 1.973 6.905 1.00 1.76 N ATOM 1403 NH2 ARG A 88 14.837 3.771 8.132 1.00 2.11 N ATOM 0 H ARG A 88 10.968 -2.259 8.634 1.00 0.61 H new ATOM 0 HA ARG A 88 12.551 -0.241 10.060 1.00 0.67 H new ATOM 0 HB2 ARG A 88 9.967 0.067 8.493 1.00 0.74 H new ATOM 0 HB3 ARG A 88 11.037 1.347 9.030 1.00 0.74 H new ATOM 0 HG2 ARG A 88 11.628 -0.750 6.914 1.00 0.92 H new ATOM 0 HG3 ARG A 88 11.354 0.961 6.652 1.00 0.92 H new ATOM 0 HD2 ARG A 88 13.668 -0.207 8.251 1.00 0.97 H new ATOM 0 HD3 ARG A 88 13.771 0.324 6.584 1.00 0.97 H new ATOM 0 HE ARG A 88 12.846 2.331 8.567 1.00 1.13 H new ATOM 0 HH11 ARG A 88 15.440 1.027 6.550 1.00 1.76 H new ATOM 0 HH12 ARG A 88 16.429 2.486 6.670 1.00 1.76 H new ATOM 0 HH21 ARG A 88 14.127 4.208 8.720 1.00 2.11 H new ATOM 0 HH22 ARG A 88 15.688 4.281 7.895 1.00 2.11 H new ATOM 1417 N ASN A 89 10.536 -1.729 11.652 1.00 0.61 N ATOM 1418 CA ASN A 89 9.722 -1.877 12.861 1.00 0.63 C ATOM 1419 C ASN A 89 8.234 -1.754 12.529 1.00 0.66 C ATOM 1420 O ASN A 89 7.418 -1.360 13.365 1.00 0.83 O ATOM 1421 CB ASN A 89 10.133 -0.843 13.924 1.00 0.70 C ATOM 1422 CG ASN A 89 9.522 -1.119 15.286 1.00 1.30 C ATOM 1423 OD1 ASN A 89 9.304 -2.273 15.662 1.00 2.07 O ATOM 1424 ND2 ASN A 89 9.235 -0.063 16.032 1.00 1.91 N ATOM 0 H ASN A 89 11.010 -2.587 11.368 1.00 0.61 H new ATOM 0 HA ASN A 89 9.897 -2.872 13.271 1.00 0.63 H new ATOM 0 HB2 ASN A 89 11.219 -0.834 14.014 1.00 0.70 H new ATOM 0 HB3 ASN A 89 9.833 0.151 13.592 1.00 0.70 H new ATOM 0 HD21 ASN A 89 8.818 -0.188 16.954 1.00 1.91 H new ATOM 0 HD22 ASN A 89 9.431 0.876 15.684 1.00 1.91 H new ATOM 1431 N TYR A 90 7.876 -2.118 11.307 1.00 0.56 N ATOM 1432 CA TYR A 90 6.496 -2.009 10.871 1.00 0.64 C ATOM 1433 C TYR A 90 5.987 -3.317 10.269 1.00 0.59 C ATOM 1434 O TYR A 90 5.976 -3.489 9.050 1.00 0.57 O ATOM 1435 CB TYR A 90 6.353 -0.875 9.857 1.00 0.76 C ATOM 1436 CG TYR A 90 5.350 0.167 10.278 1.00 1.02 C ATOM 1437 CD1 TYR A 90 5.719 1.211 11.115 1.00 1.67 C ATOM 1438 CD2 TYR A 90 4.034 0.101 9.846 1.00 1.04 C ATOM 1439 CE1 TYR A 90 4.800 2.163 11.508 1.00 2.09 C ATOM 1440 CE2 TYR A 90 3.109 1.048 10.235 1.00 1.39 C ATOM 1441 CZ TYR A 90 3.497 2.078 11.066 1.00 1.94 C ATOM 1442 OH TYR A 90 2.577 3.023 11.460 1.00 2.32 O ATOM 0 H TYR A 90 8.518 -2.488 10.606 1.00 0.56 H new ATOM 0 HA TYR A 90 5.889 -1.789 11.749 1.00 0.64 H new ATOM 0 HB2 TYR A 90 7.323 -0.400 9.712 1.00 0.76 H new ATOM 0 HB3 TYR A 90 6.055 -1.291 8.895 1.00 0.76 H new ATOM 0 HD1 TYR A 90 6.739 1.279 11.463 1.00 1.67 H new ATOM 0 HD2 TYR A 90 3.728 -0.704 9.195 1.00 1.04 H new ATOM 0 HE1 TYR A 90 5.100 2.971 12.159 1.00 2.09 H new ATOM 0 HE2 TYR A 90 2.087 0.983 9.891 1.00 1.39 H new ATOM 0 HH TYR A 90 1.706 2.819 11.060 1.00 2.32 H new ATOM 1452 N PRO A 91 5.561 -4.262 11.117 1.00 0.61 N ATOM 1453 CA PRO A 91 4.947 -5.493 10.658 1.00 0.62 C ATOM 1454 C PRO A 91 3.455 -5.304 10.391 1.00 0.65 C ATOM 1455 O PRO A 91 2.669 -5.073 11.314 1.00 0.86 O ATOM 1456 CB PRO A 91 5.185 -6.471 11.811 1.00 0.68 C ATOM 1457 CG PRO A 91 5.497 -5.641 13.019 1.00 0.72 C ATOM 1458 CD PRO A 91 5.643 -4.203 12.580 1.00 0.69 C ATOM 0 HA PRO A 91 5.366 -5.844 9.715 1.00 0.62 H new ATOM 0 HB2 PRO A 91 4.304 -7.089 11.983 1.00 0.68 H new ATOM 0 HB3 PRO A 91 6.009 -7.147 11.582 1.00 0.68 H new ATOM 0 HG2 PRO A 91 4.702 -5.733 13.759 1.00 0.72 H new ATOM 0 HG3 PRO A 91 6.415 -5.989 13.492 1.00 0.72 H new ATOM 0 HD2 PRO A 91 4.854 -3.577 12.998 1.00 0.69 H new ATOM 0 HD3 PRO A 91 6.593 -3.781 12.909 1.00 0.69 H new ATOM 1466 N LEU A 92 3.078 -5.390 9.123 1.00 0.53 N ATOM 1467 CA LEU A 92 1.690 -5.204 8.715 1.00 0.55 C ATOM 1468 C LEU A 92 0.810 -6.316 9.269 1.00 0.56 C ATOM 1469 O LEU A 92 1.198 -7.484 9.271 1.00 0.59 O ATOM 1470 CB LEU A 92 1.597 -5.188 7.187 1.00 0.59 C ATOM 1471 CG LEU A 92 2.430 -4.107 6.496 1.00 0.57 C ATOM 1472 CD1 LEU A 92 2.302 -4.219 4.987 1.00 0.65 C ATOM 1473 CD2 LEU A 92 2.006 -2.724 6.960 1.00 0.62 C ATOM 0 H LEU A 92 3.718 -5.589 8.354 1.00 0.53 H new ATOM 0 HA LEU A 92 1.339 -4.252 9.113 1.00 0.55 H new ATOM 0 HB2 LEU A 92 1.909 -6.162 6.810 1.00 0.59 H new ATOM 0 HB3 LEU A 92 0.553 -5.056 6.904 1.00 0.59 H new ATOM 0 HG LEU A 92 3.475 -4.257 6.768 1.00 0.57 H new ATOM 0 HD11 LEU A 92 2.901 -3.442 4.512 1.00 0.65 H new ATOM 0 HD12 LEU A 92 2.655 -5.198 4.664 1.00 0.65 H new ATOM 0 HD13 LEU A 92 1.257 -4.097 4.700 1.00 0.65 H new ATOM 0 HD21 LEU A 92 2.611 -1.970 6.456 1.00 0.62 H new ATOM 0 HD22 LEU A 92 0.955 -2.566 6.719 1.00 0.62 H new ATOM 0 HD23 LEU A 92 2.148 -2.642 8.038 1.00 0.62 H new ATOM 1485 N LYS A 93 -0.376 -5.943 9.741 1.00 0.63 N ATOM 1486 CA LYS A 93 -1.321 -6.914 10.289 1.00 0.68 C ATOM 1487 C LYS A 93 -1.912 -7.767 9.176 1.00 0.61 C ATOM 1488 O LYS A 93 -2.419 -8.860 9.415 1.00 0.68 O ATOM 1489 CB LYS A 93 -2.461 -6.215 11.035 1.00 0.83 C ATOM 1490 CG LYS A 93 -2.009 -5.225 12.097 1.00 0.91 C ATOM 1491 CD LYS A 93 -3.166 -4.811 12.999 1.00 1.28 C ATOM 1492 CE LYS A 93 -4.348 -4.260 12.208 1.00 1.57 C ATOM 1493 NZ LYS A 93 -4.035 -2.959 11.560 1.00 2.22 N ATOM 0 H LYS A 93 -0.706 -4.978 9.756 1.00 0.63 H new ATOM 0 HA LYS A 93 -0.772 -7.546 10.987 1.00 0.68 H new ATOM 0 HB2 LYS A 93 -3.084 -5.691 10.310 1.00 0.83 H new ATOM 0 HB3 LYS A 93 -3.088 -6.972 11.506 1.00 0.83 H new ATOM 0 HG2 LYS A 93 -1.218 -5.671 12.699 1.00 0.91 H new ATOM 0 HG3 LYS A 93 -1.586 -4.342 11.617 1.00 0.91 H new ATOM 0 HD2 LYS A 93 -3.493 -5.670 13.585 1.00 1.28 H new ATOM 0 HD3 LYS A 93 -2.821 -4.056 13.706 1.00 1.28 H new ATOM 0 HE2 LYS A 93 -4.641 -4.982 11.446 1.00 1.57 H new ATOM 0 HE3 LYS A 93 -5.202 -4.136 12.874 1.00 1.57 H new ATOM 0 HZ1 LYS A 93 -4.906 -2.398 11.469 1.00 2.22 H new ATOM 0 HZ2 LYS A 93 -3.347 -2.438 12.141 1.00 2.22 H new ATOM 0 HZ3 LYS A 93 -3.632 -3.129 10.616 1.00 2.22 H new ATOM 1507 N PHE A 94 -1.844 -7.251 7.957 1.00 0.52 N ATOM 1508 CA PHE A 94 -2.398 -7.930 6.798 1.00 0.50 C ATOM 1509 C PHE A 94 -1.351 -7.986 5.692 1.00 0.44 C ATOM 1510 O PHE A 94 -1.472 -7.303 4.682 1.00 0.42 O ATOM 1511 CB PHE A 94 -3.645 -7.193 6.286 1.00 0.51 C ATOM 1512 CG PHE A 94 -4.579 -6.740 7.374 1.00 0.59 C ATOM 1513 CD1 PHE A 94 -5.355 -7.652 8.071 1.00 0.68 C ATOM 1514 CD2 PHE A 94 -4.672 -5.395 7.703 1.00 0.66 C ATOM 1515 CE1 PHE A 94 -6.207 -7.231 9.075 1.00 0.78 C ATOM 1516 CE2 PHE A 94 -5.521 -4.970 8.705 1.00 0.78 C ATOM 1517 CZ PHE A 94 -6.289 -5.889 9.392 1.00 0.81 C ATOM 0 H PHE A 94 -1.405 -6.355 7.746 1.00 0.52 H new ATOM 0 HA PHE A 94 -2.683 -8.941 7.088 1.00 0.50 H new ATOM 0 HB2 PHE A 94 -3.329 -6.325 5.708 1.00 0.51 H new ATOM 0 HB3 PHE A 94 -4.188 -7.849 5.605 1.00 0.51 H new ATOM 0 HD1 PHE A 94 -5.294 -8.702 7.827 1.00 0.68 H new ATOM 0 HD2 PHE A 94 -4.073 -4.672 7.169 1.00 0.66 H new ATOM 0 HE1 PHE A 94 -6.808 -7.951 9.611 1.00 0.78 H new ATOM 0 HE2 PHE A 94 -5.584 -3.920 8.951 1.00 0.78 H new ATOM 0 HZ PHE A 94 -6.953 -5.559 10.177 1.00 0.81 H new ATOM 1527 N PRO A 95 -0.298 -8.799 5.864 1.00 0.48 N ATOM 1528 CA PRO A 95 0.788 -8.897 4.883 1.00 0.51 C ATOM 1529 C PRO A 95 0.318 -9.501 3.560 1.00 0.47 C ATOM 1530 O PRO A 95 1.024 -9.445 2.550 1.00 0.51 O ATOM 1531 CB PRO A 95 1.821 -9.813 5.555 1.00 0.64 C ATOM 1532 CG PRO A 95 1.398 -9.937 6.982 1.00 0.65 C ATOM 1533 CD PRO A 95 -0.080 -9.682 7.017 1.00 0.59 C ATOM 0 HA PRO A 95 1.186 -7.915 4.627 1.00 0.51 H new ATOM 0 HB2 PRO A 95 1.850 -10.789 5.071 1.00 0.64 H new ATOM 0 HB3 PRO A 95 2.823 -9.391 5.481 1.00 0.64 H new ATOM 0 HG2 PRO A 95 1.629 -10.929 7.369 1.00 0.65 H new ATOM 0 HG3 PRO A 95 1.929 -9.219 7.607 1.00 0.65 H new ATOM 0 HD2 PRO A 95 -0.650 -10.607 6.929 1.00 0.59 H new ATOM 0 HD3 PRO A 95 -0.384 -9.208 7.950 1.00 0.59 H new ATOM 1541 N GLN A 96 -0.883 -10.067 3.572 1.00 0.45 N ATOM 1542 CA GLN A 96 -1.471 -10.658 2.377 1.00 0.44 C ATOM 1543 C GLN A 96 -2.292 -9.632 1.602 1.00 0.39 C ATOM 1544 O GLN A 96 -3.125 -9.996 0.773 1.00 0.43 O ATOM 1545 CB GLN A 96 -2.360 -11.848 2.742 1.00 0.53 C ATOM 1546 CG GLN A 96 -1.638 -12.974 3.462 1.00 1.06 C ATOM 1547 CD GLN A 96 -2.548 -14.159 3.709 1.00 1.54 C ATOM 1548 OE1 GLN A 96 -3.759 -14.004 3.852 1.00 2.05 O ATOM 1549 NE2 GLN A 96 -1.977 -15.350 3.757 1.00 2.31 N ATOM 0 H GLN A 96 -1.472 -10.129 4.403 1.00 0.45 H new ATOM 0 HA GLN A 96 -0.651 -11.002 1.746 1.00 0.44 H new ATOM 0 HB2 GLN A 96 -3.177 -11.496 3.372 1.00 0.53 H new ATOM 0 HB3 GLN A 96 -2.808 -12.244 1.831 1.00 0.53 H new ATOM 0 HG2 GLN A 96 -0.780 -13.292 2.870 1.00 1.06 H new ATOM 0 HG3 GLN A 96 -1.251 -12.608 4.413 1.00 1.06 H new ATOM 0 HE21 GLN A 96 -0.968 -15.437 3.634 1.00 2.31 H new ATOM 0 HE22 GLN A 96 -2.545 -16.182 3.917 1.00 2.31 H new ATOM 1558 N LEU A 97 -2.077 -8.353 1.885 1.00 0.44 N ATOM 1559 CA LEU A 97 -2.776 -7.312 1.157 1.00 0.54 C ATOM 1560 C LEU A 97 -2.060 -7.006 -0.149 1.00 0.63 C ATOM 1561 O LEU A 97 -0.825 -7.015 -0.220 1.00 1.25 O ATOM 1562 CB LEU A 97 -2.959 -6.047 2.021 1.00 0.69 C ATOM 1563 CG LEU A 97 -1.693 -5.294 2.464 1.00 0.86 C ATOM 1564 CD1 LEU A 97 -1.148 -4.425 1.344 1.00 1.56 C ATOM 1565 CD2 LEU A 97 -1.993 -4.438 3.689 1.00 1.35 C ATOM 0 H LEU A 97 -1.434 -8.019 2.603 1.00 0.44 H new ATOM 0 HA LEU A 97 -3.775 -7.675 0.914 1.00 0.54 H new ATOM 0 HB2 LEU A 97 -3.587 -5.350 1.466 1.00 0.69 H new ATOM 0 HB3 LEU A 97 -3.512 -6.330 2.917 1.00 0.69 H new ATOM 0 HG LEU A 97 -0.934 -6.034 2.719 1.00 0.86 H new ATOM 0 HD11 LEU A 97 -0.254 -3.906 1.689 1.00 1.56 H new ATOM 0 HD12 LEU A 97 -0.897 -5.051 0.487 1.00 1.56 H new ATOM 0 HD13 LEU A 97 -1.902 -3.694 1.051 1.00 1.56 H new ATOM 0 HD21 LEU A 97 -1.090 -3.910 3.994 1.00 1.35 H new ATOM 0 HD22 LEU A 97 -2.772 -3.715 3.446 1.00 1.35 H new ATOM 0 HD23 LEU A 97 -2.332 -5.076 4.505 1.00 1.35 H new ATOM 1577 N HIS A 98 -2.843 -6.776 -1.188 1.00 0.38 N ATOM 1578 CA HIS A 98 -2.304 -6.391 -2.478 1.00 0.38 C ATOM 1579 C HIS A 98 -2.043 -4.898 -2.490 1.00 0.43 C ATOM 1580 O HIS A 98 -2.978 -4.084 -2.462 1.00 0.49 O ATOM 1581 CB HIS A 98 -3.259 -6.785 -3.609 1.00 0.38 C ATOM 1582 CG HIS A 98 -3.376 -8.269 -3.806 1.00 0.37 C ATOM 1583 ND1 HIS A 98 -3.517 -9.124 -2.743 1.00 0.49 N ATOM 1584 CD2 HIS A 98 -3.347 -8.991 -4.952 1.00 0.46 C ATOM 1585 CE1 HIS A 98 -3.569 -10.337 -3.257 1.00 0.47 C ATOM 1586 NE2 HIS A 98 -3.475 -10.312 -4.594 1.00 0.46 N ATOM 0 H HIS A 98 -3.860 -6.850 -1.162 1.00 0.38 H new ATOM 0 HA HIS A 98 -1.364 -6.919 -2.642 1.00 0.38 H new ATOM 0 HB2 HIS A 98 -4.247 -6.376 -3.398 1.00 0.38 H new ATOM 0 HB3 HIS A 98 -2.917 -6.329 -4.538 1.00 0.38 H new ATOM 0 HD2 HIS A 98 -3.243 -8.603 -5.955 1.00 0.46 H new ATOM 0 HE1 HIS A 98 -3.674 -11.239 -2.673 1.00 0.47 H new ATOM 0 HE2 HIS A 98 -3.495 -11.115 -5.222 1.00 0.46 H new ATOM 1594 N CYS A 99 -0.767 -4.552 -2.489 1.00 0.50 N ATOM 1595 CA CYS A 99 -0.336 -3.166 -2.468 1.00 0.56 C ATOM 1596 C CYS A 99 -0.800 -2.423 -3.713 1.00 0.41 C ATOM 1597 O CYS A 99 -1.032 -3.026 -4.768 1.00 0.38 O ATOM 1598 CB CYS A 99 1.183 -3.110 -2.361 1.00 0.76 C ATOM 1599 SG CYS A 99 1.845 -3.865 -0.859 1.00 1.19 S ATOM 0 H CYS A 99 -0.001 -5.225 -2.503 1.00 0.50 H new ATOM 0 HA CYS A 99 -0.785 -2.678 -1.603 1.00 0.56 H new ATOM 0 HB2 CYS A 99 1.616 -3.610 -3.227 1.00 0.76 H new ATOM 0 HB3 CYS A 99 1.501 -2.068 -2.402 1.00 0.76 H new ATOM 0 HG CYS A 99 3.110 -4.117 -1.021 1.00 1.19 H new ATOM 1605 N LEU A 100 -0.928 -1.109 -3.583 1.00 0.43 N ATOM 1606 CA LEU A 100 -1.387 -0.278 -4.675 1.00 0.39 C ATOM 1607 C LEU A 100 -0.235 0.000 -5.612 1.00 0.28 C ATOM 1608 O LEU A 100 0.826 0.440 -5.174 1.00 0.27 O ATOM 1609 CB LEU A 100 -1.953 1.059 -4.177 1.00 0.58 C ATOM 1610 CG LEU A 100 -3.115 0.982 -3.189 1.00 0.66 C ATOM 1611 CD1 LEU A 100 -2.603 0.832 -1.775 1.00 1.53 C ATOM 1612 CD2 LEU A 100 -3.986 2.218 -3.297 1.00 0.93 C ATOM 0 H LEU A 100 -0.718 -0.599 -2.725 1.00 0.43 H new ATOM 0 HA LEU A 100 -2.183 -0.816 -5.189 1.00 0.39 H new ATOM 0 HB2 LEU A 100 -1.143 1.619 -3.708 1.00 0.58 H new ATOM 0 HB3 LEU A 100 -2.279 1.635 -5.043 1.00 0.58 H new ATOM 0 HG LEU A 100 -3.715 0.106 -3.437 1.00 0.66 H new ATOM 0 HD11 LEU A 100 -3.446 0.779 -1.086 1.00 1.53 H new ATOM 0 HD12 LEU A 100 -2.013 -0.081 -1.697 1.00 1.53 H new ATOM 0 HD13 LEU A 100 -1.980 1.690 -1.521 1.00 1.53 H new ATOM 0 HD21 LEU A 100 -4.809 2.146 -2.586 1.00 0.93 H new ATOM 0 HD22 LEU A 100 -3.390 3.103 -3.075 1.00 0.93 H new ATOM 0 HD23 LEU A 100 -4.386 2.294 -4.308 1.00 0.93 H new ATOM 1624 N ASN A 101 -0.435 -0.268 -6.885 1.00 0.29 N ATOM 1625 CA ASN A 101 0.556 0.074 -7.885 1.00 0.29 C ATOM 1626 C ASN A 101 0.429 1.547 -8.194 1.00 0.29 C ATOM 1627 O ASN A 101 -0.462 1.978 -8.934 1.00 0.37 O ATOM 1628 CB ASN A 101 0.364 -0.774 -9.149 1.00 0.34 C ATOM 1629 CG ASN A 101 1.301 -0.388 -10.284 1.00 0.46 C ATOM 1630 OD1 ASN A 101 2.432 0.043 -10.061 1.00 1.34 O ATOM 1631 ND2 ASN A 101 0.827 -0.532 -11.517 1.00 0.83 N ATOM 0 H ASN A 101 -1.272 -0.720 -7.252 1.00 0.29 H new ATOM 0 HA ASN A 101 1.556 -0.135 -7.506 1.00 0.29 H new ATOM 0 HB2 ASN A 101 0.520 -1.824 -8.900 1.00 0.34 H new ATOM 0 HB3 ASN A 101 -0.667 -0.677 -9.490 1.00 0.34 H new ATOM 0 HD21 ASN A 101 1.406 -0.282 -12.318 1.00 0.83 H new ATOM 0 HD22 ASN A 101 -0.116 -0.893 -11.662 1.00 0.83 H new ATOM 1638 N VAL A 102 1.302 2.311 -7.579 1.00 0.28 N ATOM 1639 CA VAL A 102 1.229 3.749 -7.624 1.00 0.30 C ATOM 1640 C VAL A 102 2.554 4.336 -8.078 1.00 0.31 C ATOM 1641 O VAL A 102 3.421 3.637 -8.608 1.00 0.35 O ATOM 1642 CB VAL A 102 0.869 4.322 -6.229 1.00 0.32 C ATOM 1643 CG1 VAL A 102 -0.430 3.731 -5.720 1.00 0.86 C ATOM 1644 CG2 VAL A 102 1.982 4.063 -5.230 1.00 0.91 C ATOM 0 H VAL A 102 2.084 1.950 -7.033 1.00 0.28 H new ATOM 0 HA VAL A 102 0.450 4.022 -8.336 1.00 0.30 H new ATOM 0 HB VAL A 102 0.744 5.399 -6.338 1.00 0.32 H new ATOM 0 HG11 VAL A 102 -0.661 4.149 -4.740 1.00 0.86 H new ATOM 0 HG12 VAL A 102 -1.235 3.970 -6.415 1.00 0.86 H new ATOM 0 HG13 VAL A 102 -0.330 2.649 -5.639 1.00 0.86 H new ATOM 0 HG21 VAL A 102 1.704 4.475 -4.260 1.00 0.91 H new ATOM 0 HG22 VAL A 102 2.143 2.989 -5.135 1.00 0.91 H new ATOM 0 HG23 VAL A 102 2.900 4.538 -5.576 1.00 0.91 H new ATOM 1654 N GLY A 103 2.694 5.622 -7.842 1.00 0.35 N ATOM 1655 CA GLY A 103 3.907 6.327 -8.175 1.00 0.41 C ATOM 1656 C GLY A 103 4.006 6.687 -9.638 1.00 0.48 C ATOM 1657 O GLY A 103 3.221 6.225 -10.464 1.00 0.65 O ATOM 0 H GLY A 103 1.973 6.204 -7.416 1.00 0.35 H new ATOM 0 HA2 GLY A 103 3.965 7.238 -7.579 1.00 0.41 H new ATOM 0 HA3 GLY A 103 4.764 5.712 -7.901 1.00 0.41 H new ATOM 1661 N SER A 104 4.964 7.540 -9.941 1.00 0.78 N ATOM 1662 CA SER A 104 5.309 7.861 -11.304 1.00 0.88 C ATOM 1663 C SER A 104 6.036 6.677 -11.929 1.00 1.00 C ATOM 1664 O SER A 104 6.735 5.940 -11.233 1.00 1.10 O ATOM 1665 CB SER A 104 6.193 9.104 -11.297 1.00 0.91 C ATOM 1666 OG SER A 104 7.076 9.073 -10.181 1.00 1.52 O ATOM 0 H SER A 104 5.525 8.030 -9.244 1.00 0.78 H new ATOM 0 HA SER A 104 4.415 8.063 -11.894 1.00 0.88 H new ATOM 0 HB2 SER A 104 6.767 9.156 -12.222 1.00 0.91 H new ATOM 0 HB3 SER A 104 5.573 10.000 -11.255 1.00 0.91 H new ATOM 0 HG SER A 104 7.640 9.875 -10.188 1.00 1.52 H new ATOM 1672 N SER A 105 5.881 6.508 -13.236 1.00 1.06 N ATOM 1673 CA SER A 105 6.355 5.308 -13.923 1.00 1.19 C ATOM 1674 C SER A 105 7.885 5.209 -13.928 1.00 1.14 C ATOM 1675 O SER A 105 8.450 4.248 -14.454 1.00 1.20 O ATOM 1676 CB SER A 105 5.815 5.276 -15.356 1.00 1.36 C ATOM 1677 OG SER A 105 5.737 3.947 -15.845 1.00 1.77 O ATOM 0 H SER A 105 5.429 7.189 -13.846 1.00 1.06 H new ATOM 0 HA SER A 105 5.978 4.445 -13.373 1.00 1.19 H new ATOM 0 HB2 SER A 105 4.827 5.736 -15.386 1.00 1.36 H new ATOM 0 HB3 SER A 105 6.461 5.868 -16.004 1.00 1.36 H new ATOM 0 HG SER A 105 6.567 3.471 -15.633 1.00 1.77 H new ATOM 1683 N ILE A 106 8.558 6.201 -13.347 1.00 1.10 N ATOM 1684 CA ILE A 106 10.003 6.135 -13.178 1.00 1.09 C ATOM 1685 C ILE A 106 10.354 5.128 -12.083 1.00 0.89 C ATOM 1686 O ILE A 106 11.324 4.378 -12.198 1.00 0.95 O ATOM 1687 CB ILE A 106 10.619 7.516 -12.848 1.00 1.18 C ATOM 1688 CG1 ILE A 106 9.971 8.125 -11.600 1.00 1.25 C ATOM 1689 CG2 ILE A 106 10.471 8.452 -14.038 1.00 1.67 C ATOM 1690 CD1 ILE A 106 10.587 9.439 -11.172 1.00 1.60 C ATOM 0 H ILE A 106 8.127 7.053 -12.989 1.00 1.10 H new ATOM 0 HA ILE A 106 10.428 5.810 -14.127 1.00 1.09 H new ATOM 0 HB ILE A 106 11.680 7.377 -12.639 1.00 1.18 H new ATOM 0 HG12 ILE A 106 8.909 8.278 -11.791 1.00 1.25 H new ATOM 0 HG13 ILE A 106 10.048 7.413 -10.778 1.00 1.25 H new ATOM 0 HG21 ILE A 106 10.908 9.421 -13.795 1.00 1.67 H new ATOM 0 HG22 ILE A 106 10.985 8.028 -14.901 1.00 1.67 H new ATOM 0 HG23 ILE A 106 9.414 8.579 -14.272 1.00 1.67 H new ATOM 0 HD11 ILE A 106 10.076 9.808 -10.283 1.00 1.60 H new ATOM 0 HD12 ILE A 106 11.643 9.290 -10.948 1.00 1.60 H new ATOM 0 HD13 ILE A 106 10.486 10.167 -11.977 1.00 1.60 H new ATOM 1702 N LYS A 107 9.557 5.113 -11.020 1.00 0.77 N ATOM 1703 CA LYS A 107 9.684 4.128 -9.985 1.00 0.65 C ATOM 1704 C LYS A 107 8.316 3.488 -9.706 1.00 0.58 C ATOM 1705 O LYS A 107 7.405 4.111 -9.154 1.00 0.59 O ATOM 1706 CB LYS A 107 10.339 4.755 -8.752 1.00 0.80 C ATOM 1707 CG LYS A 107 9.403 5.307 -7.706 1.00 0.52 C ATOM 1708 CD LYS A 107 8.804 6.630 -8.092 1.00 1.41 C ATOM 1709 CE LYS A 107 7.687 6.961 -7.147 1.00 1.58 C ATOM 1710 NZ LYS A 107 7.219 8.360 -7.345 1.00 2.62 N ATOM 0 H LYS A 107 8.809 5.789 -10.864 1.00 0.77 H new ATOM 0 HA LYS A 107 10.341 3.318 -10.302 1.00 0.65 H new ATOM 0 HB2 LYS A 107 10.973 4.003 -8.282 1.00 0.80 H new ATOM 0 HB3 LYS A 107 10.994 5.561 -9.085 1.00 0.80 H new ATOM 0 HG2 LYS A 107 8.602 4.590 -7.529 1.00 0.52 H new ATOM 0 HG3 LYS A 107 9.943 5.420 -6.766 1.00 0.52 H new ATOM 0 HD2 LYS A 107 9.565 7.410 -8.062 1.00 1.41 H new ATOM 0 HD3 LYS A 107 8.430 6.589 -9.115 1.00 1.41 H new ATOM 0 HE2 LYS A 107 6.858 6.271 -7.302 1.00 1.58 H new ATOM 0 HE3 LYS A 107 8.024 6.828 -6.119 1.00 1.58 H new ATOM 0 HZ1 LYS A 107 6.198 8.415 -7.155 1.00 2.62 H new ATOM 0 HZ2 LYS A 107 7.727 8.991 -6.693 1.00 2.62 H new ATOM 0 HZ3 LYS A 107 7.405 8.653 -8.325 1.00 2.62 H new ATOM 1724 N SER A 108 8.144 2.260 -10.171 1.00 0.56 N ATOM 1725 CA SER A 108 6.902 1.541 -9.949 1.00 0.54 C ATOM 1726 C SER A 108 6.826 1.100 -8.495 1.00 0.48 C ATOM 1727 O SER A 108 7.560 0.204 -8.074 1.00 0.55 O ATOM 1728 CB SER A 108 6.814 0.338 -10.893 1.00 0.63 C ATOM 1729 OG SER A 108 7.980 -0.462 -10.807 1.00 1.12 O ATOM 0 H SER A 108 8.846 1.744 -10.702 1.00 0.56 H new ATOM 0 HA SER A 108 6.057 2.197 -10.160 1.00 0.54 H new ATOM 0 HB2 SER A 108 5.938 -0.261 -10.643 1.00 0.63 H new ATOM 0 HB3 SER A 108 6.681 0.685 -11.918 1.00 0.63 H new ATOM 0 HG SER A 108 8.244 -0.555 -9.868 1.00 1.12 H new ATOM 1735 N ILE A 109 5.955 1.735 -7.728 1.00 0.39 N ATOM 1736 CA ILE A 109 5.928 1.513 -6.298 1.00 0.36 C ATOM 1737 C ILE A 109 4.615 0.898 -5.836 1.00 0.32 C ATOM 1738 O ILE A 109 3.530 1.354 -6.195 1.00 0.38 O ATOM 1739 CB ILE A 109 6.202 2.814 -5.514 1.00 0.37 C ATOM 1740 CG1 ILE A 109 5.290 3.948 -5.972 1.00 0.32 C ATOM 1741 CG2 ILE A 109 7.657 3.209 -5.673 1.00 0.54 C ATOM 1742 CD1 ILE A 109 5.406 5.196 -5.122 1.00 0.39 C ATOM 0 H ILE A 109 5.264 2.402 -8.071 1.00 0.39 H new ATOM 0 HA ILE A 109 6.727 0.803 -6.086 1.00 0.36 H new ATOM 0 HB ILE A 109 5.989 2.628 -4.461 1.00 0.37 H new ATOM 0 HG12 ILE A 109 5.526 4.199 -7.006 1.00 0.32 H new ATOM 0 HG13 ILE A 109 4.257 3.602 -5.956 1.00 0.32 H new ATOM 0 HG21 ILE A 109 7.847 4.128 -5.118 1.00 0.54 H new ATOM 0 HG22 ILE A 109 8.294 2.413 -5.287 1.00 0.54 H new ATOM 0 HG23 ILE A 109 7.877 3.370 -6.728 1.00 0.54 H new ATOM 0 HD11 ILE A 109 4.730 5.961 -5.504 1.00 0.39 H new ATOM 0 HD12 ILE A 109 5.141 4.960 -4.091 1.00 0.39 H new ATOM 0 HD13 ILE A 109 6.430 5.567 -5.158 1.00 0.39 H new ATOM 1754 N LEU A 110 4.742 -0.161 -5.057 1.00 0.33 N ATOM 1755 CA LEU A 110 3.604 -0.839 -4.464 1.00 0.34 C ATOM 1756 C LEU A 110 3.427 -0.346 -3.029 1.00 0.35 C ATOM 1757 O LEU A 110 4.298 -0.576 -2.190 1.00 0.41 O ATOM 1758 CB LEU A 110 3.838 -2.355 -4.426 1.00 0.43 C ATOM 1759 CG LEU A 110 3.818 -3.107 -5.764 1.00 0.47 C ATOM 1760 CD1 LEU A 110 4.949 -2.665 -6.680 1.00 1.01 C ATOM 1761 CD2 LEU A 110 3.910 -4.600 -5.501 1.00 1.08 C ATOM 0 H LEU A 110 5.642 -0.577 -4.817 1.00 0.33 H new ATOM 0 HA LEU A 110 2.719 -0.625 -5.063 1.00 0.34 H new ATOM 0 HB2 LEU A 110 4.803 -2.535 -3.953 1.00 0.43 H new ATOM 0 HB3 LEU A 110 3.079 -2.797 -3.780 1.00 0.43 H new ATOM 0 HG LEU A 110 2.882 -2.875 -6.271 1.00 0.47 H new ATOM 0 HD11 LEU A 110 4.898 -3.222 -7.616 1.00 1.01 H new ATOM 0 HD12 LEU A 110 4.854 -1.599 -6.886 1.00 1.01 H new ATOM 0 HD13 LEU A 110 5.906 -2.857 -6.195 1.00 1.01 H new ATOM 0 HD21 LEU A 110 3.896 -5.138 -6.449 1.00 1.08 H new ATOM 0 HD22 LEU A 110 4.838 -4.820 -4.973 1.00 1.08 H new ATOM 0 HD23 LEU A 110 3.062 -4.915 -4.893 1.00 1.08 H new ATOM 1773 N LEU A 111 2.310 0.293 -2.725 1.00 0.31 N ATOM 1774 CA LEU A 111 2.125 0.853 -1.390 1.00 0.34 C ATOM 1775 C LEU A 111 1.118 0.034 -0.598 1.00 0.36 C ATOM 1776 O LEU A 111 0.062 -0.327 -1.111 1.00 0.46 O ATOM 1777 CB LEU A 111 1.676 2.320 -1.459 1.00 0.34 C ATOM 1778 CG LEU A 111 2.681 3.289 -2.092 1.00 0.32 C ATOM 1779 CD1 LEU A 111 2.263 4.732 -1.856 1.00 0.38 C ATOM 1780 CD2 LEU A 111 4.075 3.057 -1.547 1.00 0.43 C ATOM 0 H LEU A 111 1.530 0.437 -3.367 1.00 0.31 H new ATOM 0 HA LEU A 111 3.087 0.815 -0.880 1.00 0.34 H new ATOM 0 HB2 LEU A 111 0.745 2.370 -2.023 1.00 0.34 H new ATOM 0 HB3 LEU A 111 1.455 2.662 -0.448 1.00 0.34 H new ATOM 0 HG LEU A 111 2.693 3.100 -3.165 1.00 0.32 H new ATOM 0 HD11 LEU A 111 2.991 5.401 -2.314 1.00 0.38 H new ATOM 0 HD12 LEU A 111 1.282 4.904 -2.300 1.00 0.38 H new ATOM 0 HD13 LEU A 111 2.215 4.926 -0.785 1.00 0.38 H new ATOM 0 HD21 LEU A 111 4.769 3.757 -2.012 1.00 0.43 H new ATOM 0 HD22 LEU A 111 4.074 3.210 -0.468 1.00 0.43 H new ATOM 0 HD23 LEU A 111 4.387 2.036 -1.768 1.00 0.43 H new ATOM 1792 N PRO A 112 1.454 -0.308 0.655 1.00 0.30 N ATOM 1793 CA PRO A 112 0.568 -1.080 1.531 1.00 0.29 C ATOM 1794 C PRO A 112 -0.708 -0.310 1.856 1.00 0.27 C ATOM 1795 O PRO A 112 -0.662 0.728 2.515 1.00 0.30 O ATOM 1796 CB PRO A 112 1.405 -1.300 2.798 1.00 0.33 C ATOM 1797 CG PRO A 112 2.440 -0.227 2.768 1.00 0.53 C ATOM 1798 CD PRO A 112 2.729 0.024 1.316 1.00 0.33 C ATOM 0 HA PRO A 112 0.239 -2.011 1.069 1.00 0.29 H new ATOM 0 HB2 PRO A 112 0.789 -1.230 3.695 1.00 0.33 H new ATOM 0 HB3 PRO A 112 1.862 -2.289 2.802 1.00 0.33 H new ATOM 0 HG2 PRO A 112 2.079 0.678 3.257 1.00 0.53 H new ATOM 0 HG3 PRO A 112 3.341 -0.538 3.298 1.00 0.53 H new ATOM 0 HD2 PRO A 112 3.018 1.060 1.136 1.00 0.33 H new ATOM 0 HD3 PRO A 112 3.545 -0.602 0.954 1.00 0.33 H new ATOM 1806 N ILE A 113 -1.844 -0.834 1.395 1.00 0.27 N ATOM 1807 CA ILE A 113 -3.138 -0.163 1.553 1.00 0.27 C ATOM 1808 C ILE A 113 -3.461 0.112 3.032 1.00 0.29 C ATOM 1809 O ILE A 113 -4.231 1.018 3.353 1.00 0.31 O ATOM 1810 CB ILE A 113 -4.274 -0.979 0.877 1.00 0.29 C ATOM 1811 CG1 ILE A 113 -5.596 -0.207 0.923 1.00 0.31 C ATOM 1812 CG2 ILE A 113 -4.423 -2.359 1.506 1.00 0.30 C ATOM 1813 CD1 ILE A 113 -6.828 -1.056 0.688 1.00 0.45 C ATOM 0 H ILE A 113 -1.896 -1.727 0.906 1.00 0.27 H new ATOM 0 HA ILE A 113 -3.068 0.802 1.051 1.00 0.27 H new ATOM 0 HB ILE A 113 -4.001 -1.126 -0.168 1.00 0.29 H new ATOM 0 HG12 ILE A 113 -5.685 0.279 1.895 1.00 0.31 H new ATOM 0 HG13 ILE A 113 -5.567 0.584 0.173 1.00 0.31 H new ATOM 0 HG21 ILE A 113 -5.227 -2.901 1.008 1.00 0.30 H new ATOM 0 HG22 ILE A 113 -3.490 -2.912 1.396 1.00 0.30 H new ATOM 0 HG23 ILE A 113 -4.659 -2.253 2.565 1.00 0.30 H new ATOM 0 HD11 ILE A 113 -7.718 -0.428 0.738 1.00 0.45 H new ATOM 0 HD12 ILE A 113 -6.767 -1.521 -0.296 1.00 0.45 H new ATOM 0 HD13 ILE A 113 -6.887 -1.831 1.452 1.00 0.45 H new ATOM 1825 N GLU A 114 -2.846 -0.663 3.923 1.00 0.32 N ATOM 1826 CA GLU A 114 -2.959 -0.450 5.368 1.00 0.39 C ATOM 1827 C GLU A 114 -2.502 0.959 5.760 1.00 0.38 C ATOM 1828 O GLU A 114 -3.093 1.596 6.632 1.00 0.46 O ATOM 1829 CB GLU A 114 -2.105 -1.495 6.106 1.00 0.47 C ATOM 1830 CG GLU A 114 -1.891 -1.210 7.589 1.00 0.73 C ATOM 1831 CD GLU A 114 -3.033 -1.677 8.471 1.00 1.58 C ATOM 1832 OE1 GLU A 114 -4.131 -1.083 8.384 1.00 2.32 O ATOM 1833 OE2 GLU A 114 -2.850 -2.645 9.235 1.00 1.86 O ATOM 0 H GLU A 114 -2.256 -1.455 3.667 1.00 0.32 H new ATOM 0 HA GLU A 114 -4.006 -0.557 5.650 1.00 0.39 H new ATOM 0 HB2 GLU A 114 -2.579 -2.471 6.002 1.00 0.47 H new ATOM 0 HB3 GLU A 114 -1.132 -1.560 5.618 1.00 0.47 H new ATOM 0 HG2 GLU A 114 -0.971 -1.695 7.914 1.00 0.73 H new ATOM 0 HG3 GLU A 114 -1.752 -0.138 7.727 1.00 0.73 H new ATOM 1840 N LEU A 115 -1.462 1.450 5.096 1.00 0.32 N ATOM 1841 CA LEU A 115 -0.827 2.702 5.491 1.00 0.33 C ATOM 1842 C LEU A 115 -1.207 3.846 4.560 1.00 0.32 C ATOM 1843 O LEU A 115 -0.591 4.916 4.592 1.00 0.33 O ATOM 1844 CB LEU A 115 0.692 2.534 5.510 1.00 0.41 C ATOM 1845 CG LEU A 115 1.216 1.491 6.494 1.00 0.51 C ATOM 1846 CD1 LEU A 115 2.734 1.405 6.424 1.00 0.62 C ATOM 1847 CD2 LEU A 115 0.763 1.824 7.907 1.00 0.58 C ATOM 0 H LEU A 115 -1.041 1.001 4.283 1.00 0.32 H new ATOM 0 HA LEU A 115 -1.182 2.952 6.491 1.00 0.33 H new ATOM 0 HB2 LEU A 115 1.025 2.265 4.508 1.00 0.41 H new ATOM 0 HB3 LEU A 115 1.145 3.496 5.749 1.00 0.41 H new ATOM 0 HG LEU A 115 0.806 0.519 6.220 1.00 0.51 H new ATOM 0 HD11 LEU A 115 3.089 0.656 7.132 1.00 0.62 H new ATOM 0 HD12 LEU A 115 3.036 1.123 5.416 1.00 0.62 H new ATOM 0 HD13 LEU A 115 3.165 2.374 6.674 1.00 0.62 H new ATOM 0 HD21 LEU A 115 1.144 1.072 8.598 1.00 0.58 H new ATOM 0 HD22 LEU A 115 1.146 2.804 8.190 1.00 0.58 H new ATOM 0 HD23 LEU A 115 -0.326 1.835 7.947 1.00 0.58 H new ATOM 1859 N CYS A 116 -2.215 3.633 3.733 1.00 0.37 N ATOM 1860 CA CYS A 116 -2.660 4.671 2.824 1.00 0.39 C ATOM 1861 C CYS A 116 -4.007 5.219 3.284 1.00 0.34 C ATOM 1862 O CYS A 116 -4.843 4.480 3.810 1.00 0.38 O ATOM 1863 CB CYS A 116 -2.756 4.140 1.391 1.00 0.48 C ATOM 1864 SG CYS A 116 -1.417 3.024 0.913 1.00 0.86 S ATOM 0 H CYS A 116 -2.736 2.758 3.673 1.00 0.37 H new ATOM 0 HA CYS A 116 -1.927 5.478 2.832 1.00 0.39 H new ATOM 0 HB2 CYS A 116 -3.706 3.619 1.273 1.00 0.48 H new ATOM 0 HB3 CYS A 116 -2.769 4.986 0.704 1.00 0.48 H new ATOM 0 HG CYS A 116 -1.165 2.205 1.891 1.00 0.86 H new ATOM 1870 N SER A 117 -4.215 6.511 3.089 1.00 0.32 N ATOM 1871 CA SER A 117 -5.443 7.151 3.520 1.00 0.29 C ATOM 1872 C SER A 117 -6.105 7.812 2.330 1.00 0.24 C ATOM 1873 O SER A 117 -5.646 8.837 1.832 1.00 0.29 O ATOM 1874 CB SER A 117 -5.146 8.187 4.607 1.00 0.35 C ATOM 1875 OG SER A 117 -4.423 7.606 5.681 1.00 0.97 O ATOM 0 H SER A 117 -3.548 7.135 2.635 1.00 0.32 H new ATOM 0 HA SER A 117 -6.116 6.401 3.936 1.00 0.29 H new ATOM 0 HB2 SER A 117 -4.573 9.011 4.182 1.00 0.35 H new ATOM 0 HB3 SER A 117 -6.081 8.607 4.979 1.00 0.35 H new ATOM 0 HG SER A 117 -4.244 8.288 6.362 1.00 0.97 H new ATOM 1881 N ILE A 118 -7.192 7.224 1.889 1.00 0.19 N ATOM 1882 CA ILE A 118 -7.906 7.721 0.743 1.00 0.21 C ATOM 1883 C ILE A 118 -8.880 8.795 1.185 1.00 0.32 C ATOM 1884 O ILE A 118 -9.850 8.524 1.894 1.00 0.38 O ATOM 1885 CB ILE A 118 -8.646 6.582 -0.010 1.00 0.23 C ATOM 1886 CG1 ILE A 118 -9.414 7.144 -1.210 1.00 0.29 C ATOM 1887 CG2 ILE A 118 -9.575 5.809 0.920 1.00 0.28 C ATOM 1888 CD1 ILE A 118 -10.107 6.088 -2.046 1.00 0.35 C ATOM 0 H ILE A 118 -7.602 6.392 2.314 1.00 0.19 H new ATOM 0 HA ILE A 118 -7.186 8.149 0.046 1.00 0.21 H new ATOM 0 HB ILE A 118 -7.897 5.881 -0.378 1.00 0.23 H new ATOM 0 HG12 ILE A 118 -10.158 7.855 -0.852 1.00 0.29 H new ATOM 0 HG13 ILE A 118 -8.722 7.699 -1.844 1.00 0.29 H new ATOM 0 HG21 ILE A 118 -10.076 5.020 0.360 1.00 0.28 H new ATOM 0 HG22 ILE A 118 -8.994 5.367 1.729 1.00 0.28 H new ATOM 0 HG23 ILE A 118 -10.320 6.487 1.337 1.00 0.28 H new ATOM 0 HD11 ILE A 118 -10.628 6.565 -2.876 1.00 0.35 H new ATOM 0 HD12 ILE A 118 -9.367 5.389 -2.436 1.00 0.35 H new ATOM 0 HD13 ILE A 118 -10.825 5.548 -1.428 1.00 0.35 H new ATOM 1900 N GLU A 119 -8.600 10.030 0.829 1.00 0.45 N ATOM 1901 CA GLU A 119 -9.521 11.085 1.156 1.00 0.61 C ATOM 1902 C GLU A 119 -10.754 10.925 0.282 1.00 0.83 C ATOM 1903 O GLU A 119 -10.642 10.798 -0.939 1.00 0.96 O ATOM 1904 CB GLU A 119 -8.881 12.470 1.008 1.00 0.82 C ATOM 1905 CG GLU A 119 -7.752 12.708 2.000 1.00 1.47 C ATOM 1906 CD GLU A 119 -7.490 14.177 2.273 1.00 1.78 C ATOM 1907 OE1 GLU A 119 -6.690 14.789 1.538 1.00 1.66 O ATOM 1908 OE2 GLU A 119 -8.075 14.720 3.238 1.00 2.44 O ATOM 0 H GLU A 119 -7.762 10.320 0.325 1.00 0.45 H new ATOM 0 HA GLU A 119 -9.809 11.010 2.205 1.00 0.61 H new ATOM 0 HB2 GLU A 119 -8.497 12.581 -0.006 1.00 0.82 H new ATOM 0 HB3 GLU A 119 -9.646 13.235 1.145 1.00 0.82 H new ATOM 0 HG2 GLU A 119 -7.992 12.209 2.939 1.00 1.47 H new ATOM 0 HG3 GLU A 119 -6.840 12.249 1.618 1.00 1.47 H new ATOM 1915 N GLU A 120 -11.919 10.901 0.925 1.00 1.06 N ATOM 1916 CA GLU A 120 -13.180 10.517 0.281 1.00 1.32 C ATOM 1917 C GLU A 120 -13.470 11.306 -0.997 1.00 1.65 C ATOM 1918 O GLU A 120 -14.277 10.883 -1.823 1.00 1.92 O ATOM 1919 CB GLU A 120 -14.334 10.644 1.278 1.00 1.73 C ATOM 1920 CG GLU A 120 -14.436 12.005 1.952 1.00 2.13 C ATOM 1921 CD GLU A 120 -15.394 11.986 3.123 1.00 2.61 C ATOM 1922 OE1 GLU A 120 -14.971 11.627 4.241 1.00 2.72 O ATOM 1923 OE2 GLU A 120 -16.574 12.348 2.934 1.00 3.11 O ATOM 0 H GLU A 120 -12.019 11.147 1.910 1.00 1.06 H new ATOM 0 HA GLU A 120 -13.078 9.476 -0.027 1.00 1.32 H new ATOM 0 HB2 GLU A 120 -15.270 10.438 0.759 1.00 1.73 H new ATOM 0 HB3 GLU A 120 -14.220 9.879 2.046 1.00 1.73 H new ATOM 0 HG2 GLU A 120 -13.449 12.314 2.296 1.00 2.13 H new ATOM 0 HG3 GLU A 120 -14.767 12.746 1.225 1.00 2.13 H new ATOM 1930 N GLY A 121 -12.824 12.450 -1.156 1.00 1.79 N ATOM 1931 CA GLY A 121 -12.910 13.180 -2.404 1.00 2.29 C ATOM 1932 C GLY A 121 -14.146 14.040 -2.502 1.00 2.43 C ATOM 1933 O GLY A 121 -14.366 14.699 -3.517 1.00 3.05 O ATOM 0 H GLY A 121 -12.241 12.887 -0.443 1.00 1.79 H new ATOM 0 HA2 GLY A 121 -12.027 13.810 -2.511 1.00 2.29 H new ATOM 0 HA3 GLY A 121 -12.900 12.473 -3.233 1.00 2.29 H new ATOM 1937 N GLN A 122 -14.957 14.038 -1.452 1.00 2.55 N ATOM 1938 CA GLN A 122 -16.148 14.876 -1.415 1.00 3.50 C ATOM 1939 C GLN A 122 -15.743 16.343 -1.307 1.00 4.00 C ATOM 1940 O GLN A 122 -16.520 17.242 -1.632 1.00 4.71 O ATOM 1941 CB GLN A 122 -17.054 14.485 -0.242 1.00 4.26 C ATOM 1942 CG GLN A 122 -17.442 13.008 -0.219 1.00 4.41 C ATOM 1943 CD GLN A 122 -18.240 12.562 -1.435 1.00 5.12 C ATOM 1944 OE1 GLN A 122 -18.083 13.087 -2.537 1.00 5.26 O ATOM 1945 NE2 GLN A 122 -19.103 11.580 -1.240 1.00 5.89 N ATOM 0 H GLN A 122 -14.813 13.468 -0.618 1.00 2.55 H new ATOM 0 HA GLN A 122 -16.708 14.727 -2.338 1.00 3.50 H new ATOM 0 HB2 GLN A 122 -16.548 14.731 0.692 1.00 4.26 H new ATOM 0 HB3 GLN A 122 -17.962 15.087 -0.281 1.00 4.26 H new ATOM 0 HG2 GLN A 122 -16.536 12.405 -0.150 1.00 4.41 H new ATOM 0 HG3 GLN A 122 -18.026 12.810 0.680 1.00 4.41 H new ATOM 0 HE21 GLN A 122 -19.206 11.169 -0.312 1.00 5.89 H new ATOM 0 HE22 GLN A 122 -19.666 11.234 -2.017 1.00 5.89 H new ATOM 1954 N ALA A 123 -14.511 16.564 -0.862 1.00 4.01 N ATOM 1955 CA ALA A 123 -13.944 17.896 -0.759 1.00 4.97 C ATOM 1956 C ALA A 123 -12.532 17.895 -1.331 1.00 5.11 C ATOM 1957 O ALA A 123 -11.634 17.293 -0.703 1.00 5.43 O ATOM 1958 CB ALA A 123 -13.935 18.371 0.687 1.00 5.74 C ATOM 1959 OXT ALA A 123 -12.327 18.472 -2.419 1.00 5.29 O ATOM 0 H ALA A 123 -13.879 15.821 -0.563 1.00 4.01 H new ATOM 0 HA ALA A 123 -14.562 18.587 -1.333 1.00 4.97 H new ATOM 0 HB1 ALA A 123 -13.506 19.372 0.739 1.00 5.74 H new ATOM 0 HB2 ALA A 123 -14.956 18.394 1.069 1.00 5.74 H new ATOM 0 HB3 ALA A 123 -13.337 17.688 1.291 1.00 5.74 H new TER 1965 ALA A 123 ATOM 1966 P A B 204 11.294 4.364 -4.729 1.00 0.94 P ATOM 1967 OP1 A B 204 11.165 3.374 -5.828 1.00 1.39 O ATOM 1968 OP2 A B 204 11.128 5.810 -5.027 1.00 1.43 O ATOM 1969 O5' A B 204 10.260 3.971 -3.583 1.00 0.74 O ATOM 1970 C5' A B 204 9.240 4.853 -3.122 1.00 0.54 C ATOM 1971 C4' A B 204 9.435 5.154 -1.654 1.00 0.57 C ATOM 1972 O4' A B 204 10.576 6.030 -1.492 1.00 0.80 O ATOM 1973 C3' A B 204 8.307 5.939 -1.008 1.00 0.71 C ATOM 1974 O3' A B 204 8.372 5.876 0.415 1.00 0.83 O ATOM 1975 C2' A B 204 8.584 7.347 -1.516 1.00 0.92 C ATOM 1976 O2' A B 204 8.142 8.326 -0.597 1.00 1.25 O ATOM 1977 C1' A B 204 10.115 7.364 -1.575 1.00 0.96 C ATOM 1978 N9 A B 204 10.668 7.954 -2.797 1.00 1.03 N ATOM 1979 C8 A B 204 11.990 8.114 -3.121 1.00 1.20 C ATOM 1980 N7 A B 204 12.191 8.774 -4.236 1.00 1.33 N ATOM 1981 C5 A B 204 10.910 9.064 -4.681 1.00 1.23 C ATOM 1982 C6 A B 204 10.432 9.745 -5.812 1.00 1.33 C ATOM 1983 N6 A B 204 11.219 10.292 -6.740 1.00 1.54 N ATOM 1984 N1 A B 204 9.095 9.851 -5.956 1.00 1.27 N ATOM 1985 C2 A B 204 8.305 9.307 -5.022 1.00 1.14 C ATOM 1986 N3 A B 204 8.631 8.655 -3.918 1.00 1.03 N ATOM 1987 C4 A B 204 9.965 8.564 -3.803 1.00 1.06 C ATOM 0 H5' A B 204 8.260 4.403 -3.281 1.00 0.54 H new ATOM 0 H5'' A B 204 9.263 5.779 -3.697 1.00 0.54 H new ATOM 0 H4' A B 204 9.524 4.171 -1.192 1.00 0.57 H new ATOM 0 H3' A B 204 7.312 5.566 -1.253 1.00 0.71 H new ATOM 0 H2' A B 204 8.081 7.567 -2.458 1.00 0.92 H new ATOM 0 HO2' A B 204 7.994 7.910 0.278 1.00 1.25 H new ATOM 0 H1' A B 204 10.448 7.986 -0.744 1.00 0.96 H new ATOM 0 H8 A B 204 12.795 7.730 -2.512 1.00 1.20 H new ATOM 0 H61 A B 204 10.807 10.774 -7.539 1.00 1.54 H new ATOM 0 H62 A B 204 12.233 10.228 -6.651 1.00 1.54 H new ATOM 0 H2 A B 204 7.245 9.417 -5.195 1.00 1.14 H new ATOM 1999 P C B 205 7.563 4.744 1.223 1.00 0.79 P ATOM 2000 OP1 C B 205 6.128 4.920 0.884 1.00 1.29 O ATOM 2001 OP2 C B 205 7.992 4.783 2.643 1.00 0.93 O ATOM 2002 O5' C B 205 8.067 3.375 0.585 1.00 0.93 O ATOM 2003 C5' C B 205 7.158 2.464 -0.027 1.00 0.77 C ATOM 2004 C4' C B 205 7.496 2.322 -1.491 1.00 0.68 C ATOM 2005 O4' C B 205 8.926 2.459 -1.647 1.00 0.58 O ATOM 2006 C3' C B 205 7.143 0.985 -2.136 1.00 0.90 C ATOM 2007 O3' C B 205 6.115 1.147 -3.103 1.00 1.30 O ATOM 2008 C2' C B 205 8.431 0.496 -2.802 1.00 0.66 C ATOM 2009 O2' C B 205 8.201 0.080 -4.135 1.00 0.92 O ATOM 2010 C1' C B 205 9.293 1.756 -2.807 1.00 0.54 C ATOM 2011 N1 C B 205 10.744 1.501 -2.751 1.00 0.66 N ATOM 2012 C2 C B 205 11.372 0.865 -3.827 1.00 0.97 C ATOM 2013 O2 C B 205 10.686 0.491 -4.791 1.00 1.09 O ATOM 2014 N3 C B 205 12.709 0.660 -3.783 1.00 1.23 N ATOM 2015 C4 C B 205 13.413 1.066 -2.723 1.00 1.21 C ATOM 2016 N4 C B 205 14.731 0.852 -2.731 1.00 1.53 N ATOM 2017 C5 C B 205 12.798 1.714 -1.612 1.00 0.96 C ATOM 2018 C6 C B 205 11.475 1.910 -1.670 1.00 0.71 C ATOM 0 H5' C B 205 6.135 2.822 0.088 1.00 0.77 H new ATOM 0 H5'' C B 205 7.213 1.493 0.466 1.00 0.77 H new ATOM 0 H4' C B 205 6.899 3.090 -1.982 1.00 0.68 H new ATOM 0 H3' C B 205 6.772 0.272 -1.399 1.00 0.90 H new ATOM 0 H2' C B 205 8.873 -0.359 -2.290 1.00 0.66 H new ATOM 0 HO2' C B 205 9.038 0.128 -4.642 1.00 0.92 H new ATOM 0 HO3' C B 205 6.443 0.858 -3.980 1.00 1.30 H new ATOM 0 H1' C B 205 9.122 2.292 -3.740 1.00 0.54 H new ATOM 0 H41 C B 205 15.301 1.149 -1.939 1.00 1.53 H new ATOM 0 H42 C B 205 15.168 0.392 -3.530 1.00 1.53 H new ATOM 0 H5 C B 205 13.376 2.034 -0.758 1.00 0.96 H new ATOM 0 H6 C B 205 10.976 2.400 -0.848 1.00 0.71 H new TER 2031 C B 205