USER MOD reduce.3.24.130724 H: found=0, std=0, add=982, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 979 hydrogens (91 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 NoAdj-H: A 42 ASNHD21 : A 42 ASN ND2 : A 117 B6D C1 :(H bumps) USER MOD Set 1.1: A 119 A2G O3 : rot 180:sc= 0 USER MOD Set 1.2: A 120 A2G O6 : rot 180:sc= 0 USER MOD Set 2.1: A 114 HIS :FLIP no HD1:sc= -0.0147 X(o=-1.4,f=-0.96) USER MOD Set 2.2: A 116 HIS :FLIP no HE2:sc= -0.947 X(o=-1.4,f=-0.96) USER MOD Set 3.1: A 34 GLN : amide:sc= -7.25! C(o=-6.4!,f=-7!) USER MOD Set 3.2: A 68 THR OG1 : rot 162:sc= 0.82 USER MOD Set 4.1: A 7 GLN : amide:sc= -0.282 K(o=-0.28,f=-3.7!) USER MOD Set 4.2: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 ASP N :NH3+ 172:sc= 0 (180deg=-0.0685) USER MOD Single : A 5 LYS NZ :NH3+ 166:sc= 0.196 (180deg=0.0856) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.266 X(o=-0.27,f=-0.0018) USER MOD Single : A 15 LYS NZ :NH3+ -161:sc= -0.118 (180deg=-0.53) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.299 X(o=-0.3,f=-0.08) USER MOD Single : A 28 THR OG1 : rot -133:sc= 0.0668 USER MOD Single : A 36 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.022) USER MOD Single : A 38 SER OG : rot -76:sc= 0.207 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0232 USER MOD Single : A 45 LYS NZ :NH3+ 150:sc= -0.133 (180deg=-0.572) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0206 K(o=-0.021,f=-1.4) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 150:sc= -0.473 USER MOD Single : A 55 GLN : amide:sc= -0.0236 X(o=-0.024,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 119:sc= -1.28 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.597 F(o=-2.1,f=-0.6) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.0358 X(o=-0.036,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 79:sc= 0.496 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 76:sc= -2.26! USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 103 ASN :FLIP amide:sc= -0.271 F(o=-1.5,f=-0.27) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 HIS : no HD1:sc=-0.00552 X(o=-0.0055,f=0) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 113 HIS : no HD1:sc= -0.219 X(o=-0.22,f=-0.17) USER MOD Single : A 115 HIS : no HD1:sc= -0.528 X(o=-0.53,f=-0.84) USER MOD Single : A 118 A2G O3 : rot 22:sc= 0.785 USER MOD Single : A 118 A2G O6 : rot -169:sc= -0.574 USER MOD Single : A 119 A2G O6 : rot 180:sc= 0 USER MOD Single : A 121 A2G O3 : rot 180:sc= 0 USER MOD Single : A 121 A2G O6 : rot 180:sc= 0 USER MOD Single : A 122 A2G O3 : rot 180:sc= 0 USER MOD Single : A 122 A2G O4 : rot 88:sc= 0 USER MOD Single : A 122 A2G O6 : rot 5:sc= 0.467 USER MOD Single : A 123 BGC O2 : rot 180:sc= 0 USER MOD Single : A 123 BGC O3 : rot 180:sc= 0 USER MOD Single : A 123 BGC O4 : rot 160:sc= 0 USER MOD Single : A 123 BGC O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 2.324 -0.240 -0.219 1.00 51.14 N ATOM 2 CA ASP A 1 3.257 -0.225 -1.340 1.00 52.31 C ATOM 3 C ASP A 1 3.644 1.205 -1.705 1.00 72.13 C ATOM 4 O ASP A 1 3.698 1.564 -2.882 1.00 73.24 O ATOM 5 CB ASP A 1 2.641 -0.925 -2.552 1.00 65.45 C ATOM 6 CG ASP A 1 3.682 -1.315 -3.585 1.00 33.03 C ATOM 7 OD1 ASP A 1 3.989 -0.482 -4.463 1.00 15.24 O ATOM 8 OD2 ASP A 1 4.189 -2.454 -3.514 1.00 52.32 O ATOM 0 H1 ASP A 1 1.970 -1.207 -0.075 1.00 51.14 H new ATOM 0 H2 ASP A 1 2.810 0.083 0.642 1.00 51.14 H new ATOM 0 H3 ASP A 1 1.525 0.394 -0.424 1.00 51.14 H new ATOM 0 HA ASP A 1 4.158 -0.761 -1.040 1.00 52.31 H new ATOM 0 HB2 ASP A 1 2.109 -1.817 -2.221 1.00 65.45 H new ATOM 0 HB3 ASP A 1 1.904 -0.267 -3.013 1.00 65.45 H new ATOM 13 N VAL A 2 3.913 2.019 -0.689 1.00 53.05 N ATOM 14 CA VAL A 2 4.295 3.409 -0.902 1.00 75.23 C ATOM 15 C VAL A 2 5.472 3.799 -0.016 1.00 71.33 C ATOM 16 O VAL A 2 5.749 3.142 0.988 1.00 41.21 O ATOM 17 CB VAL A 2 3.118 4.364 -0.623 1.00 52.33 C ATOM 18 CG1 VAL A 2 1.898 3.959 -1.435 1.00 52.13 C ATOM 19 CG2 VAL A 2 2.795 4.390 0.862 1.00 25.14 C ATOM 0 H VAL A 2 3.873 1.739 0.291 1.00 53.05 H new ATOM 0 HA VAL A 2 4.587 3.499 -1.948 1.00 75.23 H new ATOM 0 HB VAL A 2 3.409 5.370 -0.926 1.00 52.33 H new ATOM 0 HG11 VAL A 2 1.077 4.645 -1.225 1.00 52.13 H new ATOM 0 HG12 VAL A 2 2.139 3.996 -2.497 1.00 52.13 H new ATOM 0 HG13 VAL A 2 1.602 2.945 -1.166 1.00 52.13 H new ATOM 0 HG21 VAL A 2 1.962 5.069 1.041 1.00 25.14 H new ATOM 0 HG22 VAL A 2 2.524 3.388 1.193 1.00 25.14 H new ATOM 0 HG23 VAL A 2 3.668 4.732 1.418 1.00 25.14 H new ATOM 29 N ILE A 3 6.161 4.870 -0.393 1.00 71.32 N ATOM 30 CA ILE A 3 7.308 5.347 0.369 1.00 3.10 C ATOM 31 C ILE A 3 7.162 6.825 0.714 1.00 13.35 C ATOM 32 O ILE A 3 6.943 7.660 -0.165 1.00 4.22 O ATOM 33 CB ILE A 3 8.623 5.141 -0.404 1.00 64.50 C ATOM 34 CG1 ILE A 3 8.967 3.651 -0.480 1.00 42.00 C ATOM 35 CG2 ILE A 3 9.753 5.917 0.256 1.00 71.25 C ATOM 36 CD1 ILE A 3 10.099 3.340 -1.435 1.00 32.52 C ATOM 0 H ILE A 3 5.945 5.424 -1.222 1.00 71.32 H new ATOM 0 HA ILE A 3 7.341 4.762 1.288 1.00 3.10 H new ATOM 0 HB ILE A 3 8.494 5.518 -1.419 1.00 64.50 H new ATOM 0 HG12 ILE A 3 9.235 3.297 0.516 1.00 42.00 H new ATOM 0 HG13 ILE A 3 8.080 3.097 -0.788 1.00 42.00 H new ATOM 0 HG21 ILE A 3 10.676 5.761 -0.302 1.00 71.25 H new ATOM 0 HG22 ILE A 3 9.509 6.979 0.264 1.00 71.25 H new ATOM 0 HG23 ILE A 3 9.885 5.567 1.280 1.00 71.25 H new ATOM 0 HD11 ILE A 3 10.288 2.267 -1.438 1.00 32.52 H new ATOM 0 HD12 ILE A 3 9.827 3.663 -2.440 1.00 32.52 H new ATOM 0 HD13 ILE A 3 10.999 3.866 -1.116 1.00 32.52 H new ATOM 48 N ILE A 4 7.285 7.142 1.999 1.00 61.25 N ATOM 49 CA ILE A 4 7.170 8.520 2.460 1.00 54.50 C ATOM 50 C ILE A 4 8.355 9.357 1.993 1.00 42.45 C ATOM 51 O ILE A 4 9.473 9.203 2.487 1.00 73.15 O ATOM 52 CB ILE A 4 7.077 8.594 3.996 1.00 62.44 C ATOM 53 CG1 ILE A 4 5.750 8.005 4.477 1.00 64.40 C ATOM 54 CG2 ILE A 4 7.226 10.034 4.467 1.00 60.44 C ATOM 55 CD1 ILE A 4 5.555 8.100 5.974 1.00 53.10 C ATOM 0 H ILE A 4 7.464 6.463 2.739 1.00 61.25 H new ATOM 0 HA ILE A 4 6.253 8.921 2.029 1.00 54.50 H new ATOM 0 HB ILE A 4 7.890 8.007 4.423 1.00 62.44 H new ATOM 0 HG12 ILE A 4 4.930 8.522 3.978 1.00 64.40 H new ATOM 0 HG13 ILE A 4 5.696 6.958 4.177 1.00 64.40 H new ATOM 0 HG21 ILE A 4 7.158 10.070 5.554 1.00 60.44 H new ATOM 0 HG22 ILE A 4 8.194 10.422 4.151 1.00 60.44 H new ATOM 0 HG23 ILE A 4 6.432 10.643 4.034 1.00 60.44 H new ATOM 0 HD11 ILE A 4 4.594 7.663 6.244 1.00 53.10 H new ATOM 0 HD12 ILE A 4 6.354 7.559 6.480 1.00 53.10 H new ATOM 0 HD13 ILE A 4 5.576 9.147 6.278 1.00 53.10 H new ATOM 67 N LYS A 5 8.105 10.247 1.037 1.00 32.53 N ATOM 68 CA LYS A 5 9.150 11.112 0.503 1.00 21.42 C ATOM 69 C LYS A 5 8.691 12.566 0.477 1.00 55.35 C ATOM 70 O LYS A 5 7.499 12.864 0.399 1.00 55.23 O ATOM 71 CB LYS A 5 9.542 10.663 -0.906 1.00 54.20 C ATOM 72 CG LYS A 5 10.237 9.313 -0.943 1.00 54.13 C ATOM 73 CD LYS A 5 9.598 8.385 -1.964 1.00 31.14 C ATOM 74 CE LYS A 5 10.593 7.358 -2.482 1.00 51.43 C ATOM 75 NZ LYS A 5 10.809 7.489 -3.951 1.00 35.14 N ATOM 0 H LYS A 5 7.186 10.387 0.616 1.00 32.53 H new ATOM 0 HA LYS A 5 10.020 11.036 1.156 1.00 21.42 H new ATOM 0 HB2 LYS A 5 8.647 10.618 -1.526 1.00 54.20 H new ATOM 0 HB3 LYS A 5 10.199 11.413 -1.348 1.00 54.20 H new ATOM 0 HG2 LYS A 5 11.291 9.452 -1.185 1.00 54.13 H new ATOM 0 HG3 LYS A 5 10.195 8.854 0.045 1.00 54.13 H new ATOM 0 HD2 LYS A 5 8.748 7.874 -1.511 1.00 31.14 H new ATOM 0 HD3 LYS A 5 9.211 8.971 -2.798 1.00 31.14 H new ATOM 0 HE2 LYS A 5 11.544 7.479 -1.963 1.00 51.43 H new ATOM 0 HE3 LYS A 5 10.231 6.355 -2.256 1.00 51.43 H new ATOM 0 HZ1 LYS A 5 11.652 6.946 -4.228 1.00 35.14 H new ATOM 0 HZ2 LYS A 5 9.979 7.121 -4.458 1.00 35.14 H new ATOM 0 HZ3 LYS A 5 10.947 8.491 -4.194 1.00 35.14 H new ATOM 89 N PRO A 6 9.657 13.494 0.540 1.00 54.31 N ATOM 90 CA PRO A 6 9.375 14.932 0.522 1.00 44.31 C ATOM 91 C PRO A 6 8.873 15.409 -0.836 1.00 61.53 C ATOM 92 O PRO A 6 8.565 14.599 -1.711 1.00 41.52 O ATOM 93 CB PRO A 6 10.733 15.564 0.840 1.00 21.44 C ATOM 94 CG PRO A 6 11.734 14.553 0.398 1.00 23.02 C ATOM 95 CD PRO A 6 11.099 13.210 0.634 1.00 0.22 C ATOM 0 HA PRO A 6 8.588 15.200 1.226 1.00 44.31 H new ATOM 0 HB2 PRO A 6 10.864 16.508 0.311 1.00 21.44 H new ATOM 0 HB3 PRO A 6 10.830 15.779 1.904 1.00 21.44 H new ATOM 0 HG2 PRO A 6 11.985 14.686 -0.654 1.00 23.02 H new ATOM 0 HG3 PRO A 6 12.662 14.650 0.962 1.00 23.02 H new ATOM 0 HD2 PRO A 6 11.414 12.480 -0.111 1.00 0.22 H new ATOM 0 HD3 PRO A 6 11.366 12.805 1.610 1.00 0.22 H new ATOM 103 N GLN A 7 8.793 16.724 -1.006 1.00 3.12 N ATOM 104 CA GLN A 7 8.327 17.306 -2.258 1.00 41.35 C ATOM 105 C GLN A 7 9.388 18.220 -2.862 1.00 45.02 C ATOM 106 O GLN A 7 9.158 18.865 -3.885 1.00 23.23 O ATOM 107 CB GLN A 7 7.032 18.088 -2.032 1.00 65.15 C ATOM 108 CG GLN A 7 7.068 18.979 -0.801 1.00 14.22 C ATOM 109 CD GLN A 7 6.449 18.319 0.415 1.00 51.02 C ATOM 110 OE1 GLN A 7 6.528 17.101 0.583 1.00 54.14 O ATOM 111 NE2 GLN A 7 5.828 19.120 1.273 1.00 42.12 N ATOM 0 H GLN A 7 9.045 17.407 -0.292 1.00 3.12 H new ATOM 0 HA GLN A 7 8.134 16.492 -2.957 1.00 41.35 H new ATOM 0 HB2 GLN A 7 6.830 18.702 -2.909 1.00 65.15 H new ATOM 0 HB3 GLN A 7 6.204 17.385 -1.938 1.00 65.15 H new ATOM 0 HG2 GLN A 7 8.102 19.244 -0.579 1.00 14.22 H new ATOM 0 HG3 GLN A 7 6.539 19.908 -1.014 1.00 14.22 H new ATOM 0 HE21 GLN A 7 5.786 20.124 1.095 1.00 42.12 H new ATOM 0 HE22 GLN A 7 5.393 18.732 2.110 1.00 42.12 H new ATOM 120 N VAL A 8 10.553 18.271 -2.222 1.00 15.24 N ATOM 121 CA VAL A 8 11.650 19.107 -2.695 1.00 62.51 C ATOM 122 C VAL A 8 12.999 18.509 -2.312 1.00 60.34 C ATOM 123 O VAL A 8 13.068 17.529 -1.571 1.00 62.23 O ATOM 124 CB VAL A 8 11.554 20.535 -2.128 1.00 14.12 C ATOM 125 CG1 VAL A 8 10.245 21.188 -2.546 1.00 42.45 C ATOM 126 CG2 VAL A 8 11.689 20.516 -0.612 1.00 62.14 C ATOM 0 H VAL A 8 10.761 17.743 -1.374 1.00 15.24 H new ATOM 0 HA VAL A 8 11.569 19.151 -3.781 1.00 62.51 H new ATOM 0 HB VAL A 8 12.374 21.126 -2.536 1.00 14.12 H new ATOM 0 HG11 VAL A 8 10.194 22.197 -2.136 1.00 42.45 H new ATOM 0 HG12 VAL A 8 10.193 21.235 -3.634 1.00 42.45 H new ATOM 0 HG13 VAL A 8 9.408 20.600 -2.168 1.00 42.45 H new ATOM 0 HG21 VAL A 8 11.619 21.534 -0.228 1.00 62.14 H new ATOM 0 HG22 VAL A 8 10.891 19.910 -0.183 1.00 62.14 H new ATOM 0 HG23 VAL A 8 12.654 20.090 -0.338 1.00 62.14 H new ATOM 136 N SER A 9 14.071 19.107 -2.823 1.00 22.45 N ATOM 137 CA SER A 9 15.420 18.632 -2.537 1.00 11.13 C ATOM 138 C SER A 9 16.042 19.422 -1.389 1.00 62.24 C ATOM 139 O SER A 9 15.971 20.650 -1.355 1.00 45.24 O ATOM 140 CB SER A 9 16.298 18.746 -3.785 1.00 12.32 C ATOM 141 OG SER A 9 15.528 18.602 -4.966 1.00 22.35 O ATOM 0 H SER A 9 14.031 19.921 -3.437 1.00 22.45 H new ATOM 0 HA SER A 9 15.356 17.585 -2.241 1.00 11.13 H new ATOM 0 HB2 SER A 9 16.802 19.712 -3.792 1.00 12.32 H new ATOM 0 HB3 SER A 9 17.075 17.982 -3.758 1.00 12.32 H new ATOM 0 HG SER A 9 16.112 18.681 -5.749 1.00 22.35 H new ATOM 147 N GLY A 10 16.653 18.707 -0.450 1.00 34.54 N ATOM 148 CA GLY A 10 17.279 19.356 0.687 1.00 21.32 C ATOM 149 C GLY A 10 18.013 18.377 1.582 1.00 42.15 C ATOM 150 O GLY A 10 18.749 17.516 1.100 1.00 64.42 O ATOM 0 H GLY A 10 16.726 17.690 -0.456 1.00 34.54 H new ATOM 0 HA2 GLY A 10 17.978 20.112 0.330 1.00 21.32 H new ATOM 0 HA3 GLY A 10 16.518 19.875 1.269 1.00 21.32 H new ATOM 154 N VAL A 11 17.816 18.509 2.889 1.00 14.33 N ATOM 155 CA VAL A 11 18.466 17.630 3.854 1.00 73.23 C ATOM 156 C VAL A 11 17.595 17.431 5.089 1.00 30.34 C ATOM 157 O VAL A 11 16.923 18.357 5.543 1.00 25.34 O ATOM 158 CB VAL A 11 19.834 18.187 4.288 1.00 42.01 C ATOM 159 CG1 VAL A 11 19.658 19.434 5.140 1.00 31.22 C ATOM 160 CG2 VAL A 11 20.627 17.126 5.037 1.00 1.34 C ATOM 0 H VAL A 11 17.211 19.217 3.305 1.00 14.33 H new ATOM 0 HA VAL A 11 18.614 16.670 3.359 1.00 73.23 H new ATOM 0 HB VAL A 11 20.394 18.464 3.395 1.00 42.01 H new ATOM 0 HG11 VAL A 11 20.636 19.813 5.437 1.00 31.22 H new ATOM 0 HG12 VAL A 11 19.133 20.197 4.565 1.00 31.22 H new ATOM 0 HG13 VAL A 11 19.079 19.188 6.030 1.00 31.22 H new ATOM 0 HG21 VAL A 11 21.591 17.536 5.337 1.00 1.34 H new ATOM 0 HG22 VAL A 11 20.073 16.816 5.923 1.00 1.34 H new ATOM 0 HG23 VAL A 11 20.785 16.264 4.388 1.00 1.34 H new ATOM 170 N ILE A 12 17.613 16.217 5.629 1.00 21.53 N ATOM 171 CA ILE A 12 16.826 15.896 6.814 1.00 3.31 C ATOM 172 C ILE A 12 17.191 16.810 7.979 1.00 22.35 C ATOM 173 O ILE A 12 18.367 17.080 8.226 1.00 35.21 O ATOM 174 CB ILE A 12 17.025 14.431 7.243 1.00 72.41 C ATOM 175 CG1 ILE A 12 16.632 13.486 6.106 1.00 20.01 C ATOM 176 CG2 ILE A 12 16.213 14.129 8.494 1.00 10.42 C ATOM 177 CD1 ILE A 12 15.147 13.475 5.815 1.00 64.40 C ATOM 0 H ILE A 12 18.164 15.439 5.265 1.00 21.53 H new ATOM 0 HA ILE A 12 15.780 16.048 6.549 1.00 3.31 H new ATOM 0 HB ILE A 12 18.079 14.276 7.472 1.00 72.41 H new ATOM 0 HG12 ILE A 12 17.169 13.775 5.202 1.00 20.01 H new ATOM 0 HG13 ILE A 12 16.952 12.475 6.358 1.00 20.01 H new ATOM 0 HG21 ILE A 12 16.365 13.089 8.784 1.00 10.42 H new ATOM 0 HG22 ILE A 12 16.536 14.783 9.304 1.00 10.42 H new ATOM 0 HG23 ILE A 12 15.156 14.298 8.291 1.00 10.42 H new ATOM 0 HD11 ILE A 12 14.941 12.783 4.998 1.00 64.40 H new ATOM 0 HD12 ILE A 12 14.604 13.157 6.705 1.00 64.40 H new ATOM 0 HD13 ILE A 12 14.824 14.477 5.532 1.00 64.40 H new ATOM 189 N VAL A 13 16.175 17.281 8.696 1.00 50.32 N ATOM 190 CA VAL A 13 16.389 18.162 9.838 1.00 34.12 C ATOM 191 C VAL A 13 15.951 17.493 11.136 1.00 11.35 C ATOM 192 O VAL A 13 16.584 17.663 12.178 1.00 75.34 O ATOM 193 CB VAL A 13 15.625 19.489 9.673 1.00 35.44 C ATOM 194 CG1 VAL A 13 16.275 20.586 10.503 1.00 30.11 C ATOM 195 CG2 VAL A 13 15.559 19.887 8.207 1.00 42.44 C ATOM 0 H VAL A 13 15.196 17.067 8.506 1.00 50.32 H new ATOM 0 HA VAL A 13 17.458 18.370 9.883 1.00 34.12 H new ATOM 0 HB VAL A 13 14.606 19.349 10.034 1.00 35.44 H new ATOM 0 HG11 VAL A 13 15.722 21.516 10.374 1.00 30.11 H new ATOM 0 HG12 VAL A 13 16.265 20.301 11.555 1.00 30.11 H new ATOM 0 HG13 VAL A 13 17.305 20.728 10.176 1.00 30.11 H new ATOM 0 HG21 VAL A 13 15.016 20.827 8.109 1.00 42.44 H new ATOM 0 HG22 VAL A 13 16.570 20.010 7.817 1.00 42.44 H new ATOM 0 HG23 VAL A 13 15.044 19.110 7.642 1.00 42.44 H new ATOM 205 N ASN A 14 14.864 16.733 11.066 1.00 14.33 N ATOM 206 CA ASN A 14 14.340 16.038 12.238 1.00 75.14 C ATOM 207 C ASN A 14 13.489 14.840 11.824 1.00 51.53 C ATOM 208 O ASN A 14 13.159 14.675 10.649 1.00 2.23 O ATOM 209 CB ASN A 14 13.510 16.996 13.096 1.00 65.44 C ATOM 210 CG ASN A 14 13.679 16.735 14.580 1.00 32.22 C ATOM 211 OD1 ASN A 14 14.752 16.956 15.142 1.00 31.51 O ATOM 212 ND2 ASN A 14 12.617 16.263 15.222 1.00 4.42 N ATOM 0 H ASN A 14 14.328 16.582 10.211 1.00 14.33 H new ATOM 0 HA ASN A 14 15.185 15.676 12.824 1.00 75.14 H new ATOM 0 HB2 ASN A 14 13.801 18.023 12.875 1.00 65.44 H new ATOM 0 HB3 ASN A 14 12.457 16.899 12.830 1.00 65.44 H new ATOM 0 HD21 ASN A 14 12.670 16.069 16.222 1.00 4.42 H new ATOM 0 HD22 ASN A 14 11.748 16.095 14.715 1.00 4.42 H new ATOM 219 N LYS A 15 13.137 14.008 12.798 1.00 2.51 N ATOM 220 CA LYS A 15 12.324 12.827 12.539 1.00 71.45 C ATOM 221 C LYS A 15 11.298 12.618 13.648 1.00 73.42 C ATOM 222 O LYS A 15 11.618 12.085 14.711 1.00 23.43 O ATOM 223 CB LYS A 15 13.213 11.587 12.412 1.00 40.44 C ATOM 224 CG LYS A 15 14.303 11.511 13.466 1.00 50.25 C ATOM 225 CD LYS A 15 14.924 10.125 13.526 1.00 33.24 C ATOM 226 CE LYS A 15 13.965 9.111 14.131 1.00 60.12 C ATOM 227 NZ LYS A 15 13.523 9.510 15.496 1.00 41.10 N ATOM 0 H LYS A 15 13.403 14.130 13.775 1.00 2.51 H new ATOM 0 HA LYS A 15 11.792 12.983 11.600 1.00 71.45 H new ATOM 0 HB2 LYS A 15 12.590 10.695 12.480 1.00 40.44 H new ATOM 0 HB3 LYS A 15 13.673 11.580 11.424 1.00 40.44 H new ATOM 0 HG2 LYS A 15 15.076 12.248 13.246 1.00 50.25 H new ATOM 0 HG3 LYS A 15 13.887 11.767 14.440 1.00 50.25 H new ATOM 0 HD2 LYS A 15 15.205 9.807 12.522 1.00 33.24 H new ATOM 0 HD3 LYS A 15 15.839 10.160 14.117 1.00 33.24 H new ATOM 0 HE2 LYS A 15 13.094 9.004 13.484 1.00 60.12 H new ATOM 0 HE3 LYS A 15 14.449 8.136 14.177 1.00 60.12 H new ATOM 0 HZ1 LYS A 15 13.148 8.679 15.996 1.00 41.10 H new ATOM 0 HZ2 LYS A 15 14.332 9.896 16.024 1.00 41.10 H new ATOM 0 HZ3 LYS A 15 12.780 10.234 15.423 1.00 41.10 H new ATOM 241 N LEU A 16 10.064 13.039 13.393 1.00 23.22 N ATOM 242 CA LEU A 16 8.990 12.896 14.370 1.00 3.03 C ATOM 243 C LEU A 16 8.085 11.719 14.016 1.00 0.33 C ATOM 244 O LEU A 16 6.886 11.889 13.797 1.00 40.55 O ATOM 245 CB LEU A 16 8.167 14.183 14.443 1.00 31.35 C ATOM 246 CG LEU A 16 8.958 15.490 14.373 1.00 75.30 C ATOM 247 CD1 LEU A 16 9.216 15.880 12.926 1.00 72.30 C ATOM 248 CD2 LEU A 16 8.216 16.601 15.102 1.00 3.45 C ATOM 0 H LEU A 16 9.782 13.482 12.518 1.00 23.22 H new ATOM 0 HA LEU A 16 9.440 12.704 15.344 1.00 3.03 H new ATOM 0 HB2 LEU A 16 7.444 14.175 13.627 1.00 31.35 H new ATOM 0 HB3 LEU A 16 7.599 14.175 15.373 1.00 31.35 H new ATOM 0 HG LEU A 16 9.919 15.338 14.864 1.00 75.30 H new ATOM 0 HD11 LEU A 16 9.780 16.812 12.895 1.00 72.30 H new ATOM 0 HD12 LEU A 16 9.788 15.094 12.434 1.00 72.30 H new ATOM 0 HD13 LEU A 16 8.265 16.014 12.410 1.00 72.30 H new ATOM 0 HD21 LEU A 16 8.793 17.524 15.042 1.00 3.45 H new ATOM 0 HD22 LEU A 16 7.241 16.752 14.639 1.00 3.45 H new ATOM 0 HD23 LEU A 16 8.082 16.324 16.148 1.00 3.45 H new ATOM 260 N PHE A 17 8.668 10.526 13.967 1.00 35.30 N ATOM 261 CA PHE A 17 7.913 9.321 13.641 1.00 23.31 C ATOM 262 C PHE A 17 8.437 8.123 14.428 1.00 52.31 C ATOM 263 O PHE A 17 9.507 8.184 15.036 1.00 72.53 O ATOM 264 CB PHE A 17 7.992 9.034 12.141 1.00 1.02 C ATOM 265 CG PHE A 17 9.085 8.073 11.771 1.00 63.30 C ATOM 266 CD1 PHE A 17 10.412 8.472 11.792 1.00 64.43 C ATOM 267 CD2 PHE A 17 8.787 6.771 11.401 1.00 13.43 C ATOM 268 CE1 PHE A 17 11.421 7.589 11.453 1.00 43.03 C ATOM 269 CE2 PHE A 17 9.791 5.885 11.061 1.00 73.03 C ATOM 270 CZ PHE A 17 11.109 6.295 11.086 1.00 42.44 C ATOM 0 H PHE A 17 9.659 10.367 14.148 1.00 35.30 H new ATOM 0 HA PHE A 17 6.872 9.488 13.917 1.00 23.31 H new ATOM 0 HB2 PHE A 17 7.036 8.631 11.806 1.00 1.02 H new ATOM 0 HB3 PHE A 17 8.148 9.972 11.608 1.00 1.02 H new ATOM 0 HD1 PHE A 17 10.661 9.484 12.076 1.00 64.43 H new ATOM 0 HD2 PHE A 17 7.758 6.445 11.378 1.00 13.43 H new ATOM 0 HE1 PHE A 17 12.452 7.911 11.475 1.00 43.03 H new ATOM 0 HE2 PHE A 17 9.545 4.873 10.776 1.00 73.03 H new ATOM 0 HZ PHE A 17 11.895 5.604 10.819 1.00 42.44 H new ATOM 280 N LYS A 18 7.676 7.034 14.413 1.00 1.20 N ATOM 281 CA LYS A 18 8.061 5.821 15.123 1.00 61.33 C ATOM 282 C LYS A 18 7.999 4.607 14.201 1.00 43.04 C ATOM 283 O LYS A 18 7.285 4.614 13.198 1.00 4.32 O ATOM 284 CB LYS A 18 7.151 5.601 16.333 1.00 14.34 C ATOM 285 CG LYS A 18 7.195 6.737 17.341 1.00 14.50 C ATOM 286 CD LYS A 18 6.127 7.780 17.054 1.00 74.31 C ATOM 287 CE LYS A 18 5.847 8.641 18.276 1.00 13.41 C ATOM 288 NZ LYS A 18 4.499 8.369 18.849 1.00 41.21 N ATOM 0 H LYS A 18 6.788 6.967 13.916 1.00 1.20 H new ATOM 0 HA LYS A 18 9.088 5.943 15.466 1.00 61.33 H new ATOM 0 HB2 LYS A 18 6.125 5.473 15.987 1.00 14.34 H new ATOM 0 HB3 LYS A 18 7.438 4.674 16.830 1.00 14.34 H new ATOM 0 HG2 LYS A 18 7.055 6.338 18.346 1.00 14.50 H new ATOM 0 HG3 LYS A 18 8.178 7.206 17.319 1.00 14.50 H new ATOM 0 HD2 LYS A 18 6.448 8.413 16.227 1.00 74.31 H new ATOM 0 HD3 LYS A 18 5.209 7.285 16.738 1.00 74.31 H new ATOM 0 HE2 LYS A 18 6.608 8.455 19.034 1.00 13.41 H new ATOM 0 HE3 LYS A 18 5.920 9.694 18.003 1.00 13.41 H new ATOM 0 HZ1 LYS A 18 4.346 8.975 19.680 1.00 41.21 H new ATOM 0 HZ2 LYS A 18 3.771 8.571 18.134 1.00 41.21 H new ATOM 0 HZ3 LYS A 18 4.438 7.370 19.133 1.00 41.21 H new ATOM 302 N ALA A 19 8.749 3.567 14.548 1.00 63.22 N ATOM 303 CA ALA A 19 8.775 2.345 13.753 1.00 25.52 C ATOM 304 C ALA A 19 7.674 1.384 14.185 1.00 33.34 C ATOM 305 O ALA A 19 7.687 0.873 15.305 1.00 73.45 O ATOM 306 CB ALA A 19 10.137 1.674 13.862 1.00 72.25 C ATOM 0 H ALA A 19 9.347 3.546 15.374 1.00 63.22 H new ATOM 0 HA ALA A 19 8.596 2.615 12.712 1.00 25.52 H new ATOM 0 HB1 ALA A 19 10.143 0.763 13.264 1.00 72.25 H new ATOM 0 HB2 ALA A 19 10.907 2.353 13.496 1.00 72.25 H new ATOM 0 HB3 ALA A 19 10.338 1.425 14.904 1.00 72.25 H new ATOM 312 N GLY A 20 6.719 1.144 13.291 1.00 21.14 N ATOM 313 CA GLY A 20 5.623 0.245 13.601 1.00 14.02 C ATOM 314 C GLY A 20 4.433 0.968 14.201 1.00 71.10 C ATOM 315 O GLY A 20 3.616 0.362 14.896 1.00 54.14 O ATOM 0 H GLY A 20 6.685 1.556 12.358 1.00 21.14 H new ATOM 0 HA2 GLY A 20 5.311 -0.270 12.692 1.00 14.02 H new ATOM 0 HA3 GLY A 20 5.969 -0.519 14.297 1.00 14.02 H new ATOM 319 N ASP A 21 4.335 2.265 13.934 1.00 53.41 N ATOM 320 CA ASP A 21 3.236 3.072 14.453 1.00 41.14 C ATOM 321 C ASP A 21 2.287 3.484 13.332 1.00 20.52 C ATOM 322 O ASP A 21 2.561 3.250 12.155 1.00 74.41 O ATOM 323 CB ASP A 21 3.778 4.314 15.162 1.00 42.45 C ATOM 324 CG ASP A 21 3.519 4.288 16.655 1.00 21.22 C ATOM 325 OD1 ASP A 21 4.283 3.614 17.377 1.00 32.14 O ATOM 326 OD2 ASP A 21 2.552 4.940 17.101 1.00 14.24 O ATOM 0 H ASP A 21 5.003 2.781 13.361 1.00 53.41 H new ATOM 0 HA ASP A 21 2.681 2.467 15.170 1.00 41.14 H new ATOM 0 HB2 ASP A 21 4.851 4.391 14.984 1.00 42.45 H new ATOM 0 HB3 ASP A 21 3.318 5.204 14.732 1.00 42.45 H new ATOM 331 N LYS A 22 1.169 4.098 13.706 1.00 63.04 N ATOM 332 CA LYS A 22 0.179 4.542 12.733 1.00 53.34 C ATOM 333 C LYS A 22 0.459 5.974 12.286 1.00 3.33 C ATOM 334 O LYS A 22 0.971 6.786 13.058 1.00 54.01 O ATOM 335 CB LYS A 22 -1.228 4.448 13.327 1.00 54.43 C ATOM 336 CG LYS A 22 -2.021 3.254 12.827 1.00 54.04 C ATOM 337 CD LYS A 22 -3.437 3.647 12.438 1.00 3.51 C ATOM 338 CE LYS A 22 -3.991 2.735 11.354 1.00 44.42 C ATOM 339 NZ LYS A 22 -5.396 2.332 11.634 1.00 35.32 N ATOM 0 H LYS A 22 0.927 4.299 14.676 1.00 63.04 H new ATOM 0 HA LYS A 22 0.244 3.889 11.863 1.00 53.34 H new ATOM 0 HB2 LYS A 22 -1.152 4.394 14.413 1.00 54.43 H new ATOM 0 HB3 LYS A 22 -1.775 5.361 13.091 1.00 54.43 H new ATOM 0 HG2 LYS A 22 -1.515 2.815 11.967 1.00 54.04 H new ATOM 0 HG3 LYS A 22 -2.055 2.488 13.602 1.00 54.04 H new ATOM 0 HD2 LYS A 22 -4.082 3.604 13.316 1.00 3.51 H new ATOM 0 HD3 LYS A 22 -3.446 4.679 12.086 1.00 3.51 H new ATOM 0 HE2 LYS A 22 -3.944 3.245 10.392 1.00 44.42 H new ATOM 0 HE3 LYS A 22 -3.367 1.845 11.274 1.00 44.42 H new ATOM 0 HZ1 LYS A 22 -5.737 1.711 10.873 1.00 35.32 H new ATOM 0 HZ2 LYS A 22 -5.437 1.823 12.540 1.00 35.32 H new ATOM 0 HZ3 LYS A 22 -5.997 3.179 11.685 1.00 35.32 H new ATOM 353 N VAL A 23 0.120 6.278 11.038 1.00 70.44 N ATOM 354 CA VAL A 23 0.333 7.612 10.490 1.00 61.42 C ATOM 355 C VAL A 23 -0.991 8.281 10.143 1.00 14.15 C ATOM 356 O VAL A 23 -1.981 7.611 9.846 1.00 1.20 O ATOM 357 CB VAL A 23 1.218 7.567 9.230 1.00 13.11 C ATOM 358 CG1 VAL A 23 1.739 8.955 8.894 1.00 41.45 C ATOM 359 CG2 VAL A 23 2.367 6.588 9.421 1.00 44.31 C ATOM 0 H VAL A 23 -0.304 5.618 10.386 1.00 70.44 H new ATOM 0 HA VAL A 23 0.840 8.193 11.260 1.00 61.42 H new ATOM 0 HB VAL A 23 0.612 7.221 8.393 1.00 13.11 H new ATOM 0 HG11 VAL A 23 2.362 8.903 8.001 1.00 41.45 H new ATOM 0 HG12 VAL A 23 0.899 9.625 8.712 1.00 41.45 H new ATOM 0 HG13 VAL A 23 2.330 9.333 9.728 1.00 41.45 H new ATOM 0 HG21 VAL A 23 2.982 6.569 8.521 1.00 44.31 H new ATOM 0 HG22 VAL A 23 2.975 6.902 10.270 1.00 44.31 H new ATOM 0 HG23 VAL A 23 1.968 5.591 9.609 1.00 44.31 H new ATOM 369 N LYS A 24 -1.005 9.609 10.184 1.00 52.35 N ATOM 370 CA LYS A 24 -2.208 10.373 9.872 1.00 43.30 C ATOM 371 C LYS A 24 -1.980 11.281 8.667 1.00 32.44 C ATOM 372 O LYS A 24 -1.036 12.070 8.642 1.00 52.22 O ATOM 373 CB LYS A 24 -2.634 11.210 11.081 1.00 64.53 C ATOM 374 CG LYS A 24 -3.546 12.370 10.726 1.00 23.32 C ATOM 375 CD LYS A 24 -4.867 11.886 10.152 1.00 11.14 C ATOM 376 CE LYS A 24 -5.687 13.038 9.592 1.00 22.42 C ATOM 377 NZ LYS A 24 -6.665 13.558 10.588 1.00 31.32 N ATOM 0 H LYS A 24 -0.196 10.179 10.430 1.00 52.35 H new ATOM 0 HA LYS A 24 -3.002 9.667 9.628 1.00 43.30 H new ATOM 0 HB2 LYS A 24 -3.142 10.565 11.798 1.00 64.53 H new ATOM 0 HB3 LYS A 24 -1.744 11.597 11.576 1.00 64.53 H new ATOM 0 HG2 LYS A 24 -3.733 12.972 11.615 1.00 23.32 H new ATOM 0 HG3 LYS A 24 -3.049 13.016 10.003 1.00 23.32 H new ATOM 0 HD2 LYS A 24 -4.677 11.157 9.365 1.00 11.14 H new ATOM 0 HD3 LYS A 24 -5.437 11.376 10.928 1.00 11.14 H new ATOM 0 HE2 LYS A 24 -5.020 13.843 9.284 1.00 22.42 H new ATOM 0 HE3 LYS A 24 -6.219 12.706 8.700 1.00 22.42 H new ATOM 0 HZ1 LYS A 24 -7.204 14.342 10.168 1.00 31.32 H new ATOM 0 HZ2 LYS A 24 -7.318 12.797 10.863 1.00 31.32 H new ATOM 0 HZ3 LYS A 24 -6.156 13.899 11.429 1.00 31.32 H new ATOM 391 N LYS A 25 -2.851 11.163 7.671 1.00 14.43 N ATOM 392 CA LYS A 25 -2.747 11.976 6.464 1.00 60.32 C ATOM 393 C LYS A 25 -2.608 13.454 6.813 1.00 35.34 C ATOM 394 O LYS A 25 -3.598 14.133 7.086 1.00 63.43 O ATOM 395 CB LYS A 25 -3.974 11.763 5.575 1.00 32.25 C ATOM 396 CG LYS A 25 -5.214 11.333 6.341 1.00 41.42 C ATOM 397 CD LYS A 25 -6.483 11.847 5.681 1.00 73.30 C ATOM 398 CE LYS A 25 -6.692 11.219 4.312 1.00 54.02 C ATOM 399 NZ LYS A 25 -6.820 12.249 3.243 1.00 24.54 N ATOM 0 H LYS A 25 -3.637 10.513 7.675 1.00 14.43 H new ATOM 0 HA LYS A 25 -1.854 11.665 5.922 1.00 60.32 H new ATOM 0 HB2 LYS A 25 -4.190 12.688 5.041 1.00 32.25 H new ATOM 0 HB3 LYS A 25 -3.741 11.008 4.824 1.00 32.25 H new ATOM 0 HG2 LYS A 25 -5.248 10.245 6.399 1.00 41.42 H new ATOM 0 HG3 LYS A 25 -5.158 11.705 7.364 1.00 41.42 H new ATOM 0 HD2 LYS A 25 -7.340 11.628 6.318 1.00 73.30 H new ATOM 0 HD3 LYS A 25 -6.429 12.931 5.581 1.00 73.30 H new ATOM 0 HE2 LYS A 25 -5.855 10.560 4.083 1.00 54.02 H new ATOM 0 HE3 LYS A 25 -7.589 10.600 4.329 1.00 54.02 H new ATOM 0 HZ1 LYS A 25 -6.961 11.781 2.325 1.00 24.54 H new ATOM 0 HZ2 LYS A 25 -7.634 12.862 3.448 1.00 24.54 H new ATOM 0 HZ3 LYS A 25 -5.954 12.824 3.209 1.00 24.54 H new ATOM 413 N GLY A 26 -1.374 13.947 6.800 1.00 22.23 N ATOM 414 CA GLY A 26 -1.129 15.342 7.116 1.00 32.51 C ATOM 415 C GLY A 26 -0.430 15.521 8.448 1.00 0.14 C ATOM 416 O GLY A 26 -0.394 16.624 8.994 1.00 71.22 O ATOM 0 H GLY A 26 -0.539 13.405 6.576 1.00 22.23 H new ATOM 0 HA2 GLY A 26 -0.522 15.789 6.328 1.00 32.51 H new ATOM 0 HA3 GLY A 26 -2.077 15.880 7.132 1.00 32.51 H new ATOM 420 N GLN A 27 0.126 14.434 8.975 1.00 11.11 N ATOM 421 CA GLN A 27 0.825 14.477 10.254 1.00 55.33 C ATOM 422 C GLN A 27 2.334 14.566 10.046 1.00 33.43 C ATOM 423 O GLN A 27 2.916 13.780 9.299 1.00 64.23 O ATOM 424 CB GLN A 27 0.485 13.239 11.087 1.00 51.33 C ATOM 425 CG GLN A 27 0.510 13.490 12.585 1.00 4.13 C ATOM 426 CD GLN A 27 1.663 12.785 13.275 1.00 40.52 C ATOM 427 OE1 GLN A 27 2.407 13.395 14.043 1.00 12.02 O ATOM 428 NE2 GLN A 27 1.816 11.496 13.003 1.00 23.41 N ATOM 0 H GLN A 27 0.106 13.514 8.536 1.00 11.11 H new ATOM 0 HA GLN A 27 0.497 15.368 10.790 1.00 55.33 H new ATOM 0 HB2 GLN A 27 -0.505 12.881 10.803 1.00 51.33 H new ATOM 0 HB3 GLN A 27 1.192 12.445 10.848 1.00 51.33 H new ATOM 0 HG2 GLN A 27 0.582 14.562 12.769 1.00 4.13 H new ATOM 0 HG3 GLN A 27 -0.430 13.154 13.022 1.00 4.13 H new ATOM 0 HE21 GLN A 27 1.175 11.031 12.360 1.00 23.41 H new ATOM 0 HE22 GLN A 27 2.574 10.970 13.437 1.00 23.41 H new ATOM 437 N THR A 28 2.961 15.529 10.713 1.00 64.13 N ATOM 438 CA THR A 28 4.402 15.722 10.601 1.00 35.11 C ATOM 439 C THR A 28 5.160 14.484 11.066 1.00 0.43 C ATOM 440 O THR A 28 5.013 14.046 12.208 1.00 64.04 O ATOM 441 CB THR A 28 4.871 16.937 11.424 1.00 60.34 C ATOM 442 OG1 THR A 28 4.128 18.101 11.046 1.00 32.32 O ATOM 443 CG2 THR A 28 6.357 17.189 11.215 1.00 30.33 C ATOM 0 H THR A 28 2.494 16.188 11.336 1.00 64.13 H new ATOM 0 HA THR A 28 4.617 15.901 9.547 1.00 35.11 H new ATOM 0 HB THR A 28 4.698 16.723 12.479 1.00 60.34 H new ATOM 0 HG1 THR A 28 4.743 18.853 10.914 1.00 32.32 H new ATOM 0 HG21 THR A 28 6.666 18.051 11.806 1.00 30.33 H new ATOM 0 HG22 THR A 28 6.923 16.312 11.530 1.00 30.33 H new ATOM 0 HG23 THR A 28 6.548 17.384 10.160 1.00 30.33 H new ATOM 451 N LEU A 29 5.972 13.925 10.176 1.00 52.13 N ATOM 452 CA LEU A 29 6.756 12.736 10.495 1.00 34.24 C ATOM 453 C LEU A 29 8.245 12.995 10.290 1.00 72.51 C ATOM 454 O LEU A 29 9.087 12.403 10.966 1.00 2.54 O ATOM 455 CB LEU A 29 6.307 11.557 9.630 1.00 55.22 C ATOM 456 CG LEU A 29 4.824 11.194 9.709 1.00 75.53 C ATOM 457 CD1 LEU A 29 4.317 10.722 8.354 1.00 0.34 C ATOM 458 CD2 LEU A 29 4.592 10.126 10.767 1.00 13.04 C ATOM 0 H LEU A 29 6.105 14.276 9.227 1.00 52.13 H new ATOM 0 HA LEU A 29 6.590 12.492 11.544 1.00 34.24 H new ATOM 0 HB2 LEU A 29 6.551 11.780 8.591 1.00 55.22 H new ATOM 0 HB3 LEU A 29 6.891 10.681 9.913 1.00 55.22 H new ATOM 0 HG LEU A 29 4.266 12.086 9.993 1.00 75.53 H new ATOM 0 HD11 LEU A 29 3.260 10.468 8.429 1.00 0.34 H new ATOM 0 HD12 LEU A 29 4.448 11.517 7.620 1.00 0.34 H new ATOM 0 HD13 LEU A 29 4.880 9.843 8.041 1.00 0.34 H new ATOM 0 HD21 LEU A 29 3.531 9.880 10.809 1.00 13.04 H new ATOM 0 HD22 LEU A 29 5.162 9.232 10.513 1.00 13.04 H new ATOM 0 HD23 LEU A 29 4.917 10.499 11.738 1.00 13.04 H new ATOM 470 N PHE A 30 8.563 13.883 9.354 1.00 74.34 N ATOM 471 CA PHE A 30 9.951 14.220 9.060 1.00 32.10 C ATOM 472 C PHE A 30 10.096 15.709 8.763 1.00 44.42 C ATOM 473 O PHE A 30 9.116 16.455 8.774 1.00 21.43 O ATOM 474 CB PHE A 30 10.457 13.399 7.872 1.00 31.33 C ATOM 475 CG PHE A 30 10.617 11.937 8.179 1.00 32.12 C ATOM 476 CD1 PHE A 30 9.536 11.074 8.086 1.00 41.51 C ATOM 477 CD2 PHE A 30 11.846 11.426 8.559 1.00 21.45 C ATOM 478 CE1 PHE A 30 9.680 9.729 8.368 1.00 34.12 C ATOM 479 CE2 PHE A 30 11.997 10.080 8.843 1.00 54.51 C ATOM 480 CZ PHE A 30 10.911 9.232 8.746 1.00 64.14 C ATOM 0 H PHE A 30 7.878 14.382 8.786 1.00 74.34 H new ATOM 0 HA PHE A 30 10.551 13.982 9.938 1.00 32.10 H new ATOM 0 HB2 PHE A 30 9.763 13.514 7.039 1.00 31.33 H new ATOM 0 HB3 PHE A 30 11.416 13.801 7.545 1.00 31.33 H new ATOM 0 HD1 PHE A 30 8.571 11.457 7.790 1.00 41.51 H new ATOM 0 HD2 PHE A 30 12.698 12.086 8.635 1.00 21.45 H new ATOM 0 HE1 PHE A 30 8.830 9.067 8.293 1.00 34.12 H new ATOM 0 HE2 PHE A 30 12.961 9.694 9.140 1.00 54.51 H new ATOM 0 HZ PHE A 30 11.025 8.181 8.966 1.00 64.14 H new ATOM 490 N ILE A 31 11.327 16.135 8.496 1.00 41.12 N ATOM 491 CA ILE A 31 11.602 17.535 8.195 1.00 31.23 C ATOM 492 C ILE A 31 12.802 17.672 7.264 1.00 20.24 C ATOM 493 O ILE A 31 13.810 16.984 7.430 1.00 34.10 O ATOM 494 CB ILE A 31 11.866 18.346 9.478 1.00 72.23 C ATOM 495 CG1 ILE A 31 10.677 18.230 10.435 1.00 64.34 C ATOM 496 CG2 ILE A 31 12.137 19.803 9.136 1.00 5.52 C ATOM 497 CD1 ILE A 31 10.839 19.041 11.700 1.00 0.44 C ATOM 0 H ILE A 31 12.149 15.531 8.482 1.00 41.12 H new ATOM 0 HA ILE A 31 10.715 17.931 7.701 1.00 31.23 H new ATOM 0 HB ILE A 31 12.748 17.939 9.973 1.00 72.23 H new ATOM 0 HG12 ILE A 31 9.773 18.553 9.919 1.00 64.34 H new ATOM 0 HG13 ILE A 31 10.535 17.182 10.700 1.00 64.34 H new ATOM 0 HG21 ILE A 31 12.322 20.364 10.052 1.00 5.52 H new ATOM 0 HG22 ILE A 31 13.011 19.868 8.488 1.00 5.52 H new ATOM 0 HG23 ILE A 31 11.272 20.223 8.622 1.00 5.52 H new ATOM 0 HD11 ILE A 31 9.959 18.911 12.331 1.00 0.44 H new ATOM 0 HD12 ILE A 31 11.724 18.703 12.238 1.00 0.44 H new ATOM 0 HD13 ILE A 31 10.950 20.095 11.445 1.00 0.44 H new ATOM 509 N ILE A 32 12.687 18.565 6.287 1.00 5.44 N ATOM 510 CA ILE A 32 13.764 18.794 5.332 1.00 14.20 C ATOM 511 C ILE A 32 13.889 20.275 4.990 1.00 40.25 C ATOM 512 O ILE A 32 12.887 20.968 4.814 1.00 60.13 O ATOM 513 CB ILE A 32 13.545 17.995 4.035 1.00 54.14 C ATOM 514 CG1 ILE A 32 13.876 16.518 4.257 1.00 52.03 C ATOM 515 CG2 ILE A 32 14.392 18.569 2.909 1.00 22.04 C ATOM 516 CD1 ILE A 32 13.033 15.578 3.424 1.00 22.24 C ATOM 0 H ILE A 32 11.859 19.142 6.136 1.00 5.44 H new ATOM 0 HA ILE A 32 14.685 18.454 5.806 1.00 14.20 H new ATOM 0 HB ILE A 32 12.496 18.074 3.751 1.00 54.14 H new ATOM 0 HG12 ILE A 32 14.928 16.351 4.026 1.00 52.03 H new ATOM 0 HG13 ILE A 32 13.739 16.278 5.311 1.00 52.03 H new ATOM 0 HG21 ILE A 32 14.226 17.993 1.999 1.00 22.04 H new ATOM 0 HG22 ILE A 32 14.112 19.608 2.737 1.00 22.04 H new ATOM 0 HG23 ILE A 32 15.446 18.518 3.184 1.00 22.04 H new ATOM 0 HD11 ILE A 32 13.322 14.548 3.633 1.00 22.24 H new ATOM 0 HD12 ILE A 32 11.981 15.717 3.672 1.00 22.24 H new ATOM 0 HD13 ILE A 32 13.188 15.791 2.366 1.00 22.24 H new ATOM 528 N GLU A 33 15.126 20.753 4.895 1.00 74.43 N ATOM 529 CA GLU A 33 15.382 22.151 4.571 1.00 71.15 C ATOM 530 C GLU A 33 15.883 22.295 3.137 1.00 0.43 C ATOM 531 O GLU A 33 16.789 21.579 2.711 1.00 3.35 O ATOM 532 CB GLU A 33 16.405 22.744 5.543 1.00 33.33 C ATOM 533 CG GLU A 33 17.832 22.304 5.267 1.00 61.12 C ATOM 534 CD GLU A 33 18.611 22.022 6.537 1.00 42.55 C ATOM 535 OE1 GLU A 33 18.173 21.155 7.321 1.00 70.04 O ATOM 536 OE2 GLU A 33 19.659 22.668 6.746 1.00 42.25 O ATOM 0 H GLU A 33 15.966 20.192 5.038 1.00 74.43 H new ATOM 0 HA GLU A 33 14.443 22.697 4.665 1.00 71.15 H new ATOM 0 HB2 GLU A 33 16.353 23.832 5.493 1.00 33.33 H new ATOM 0 HB3 GLU A 33 16.136 22.458 6.560 1.00 33.33 H new ATOM 0 HG2 GLU A 33 17.818 21.408 4.647 1.00 61.12 H new ATOM 0 HG3 GLU A 33 18.343 23.079 4.696 1.00 61.12 H new ATOM 543 N GLN A 34 15.287 23.225 2.398 1.00 14.22 N ATOM 544 CA GLN A 34 15.672 23.462 1.012 1.00 13.11 C ATOM 545 C GLN A 34 16.111 24.909 0.809 1.00 3.31 C ATOM 546 O GLN A 34 16.765 25.236 -0.181 1.00 40.10 O ATOM 547 CB GLN A 34 14.510 23.133 0.075 1.00 53.23 C ATOM 548 CG GLN A 34 13.242 23.917 0.378 1.00 43.44 C ATOM 549 CD GLN A 34 12.155 23.055 0.986 1.00 31.54 C ATOM 550 OE1 GLN A 34 10.978 23.189 0.650 1.00 44.22 O ATOM 551 NE2 GLN A 34 12.543 22.162 1.890 1.00 64.21 N ATOM 0 H GLN A 34 14.536 23.827 2.736 1.00 14.22 H new ATOM 0 HA GLN A 34 16.514 22.810 0.778 1.00 13.11 H new ATOM 0 HB2 GLN A 34 14.815 23.334 -0.952 1.00 53.23 H new ATOM 0 HB3 GLN A 34 14.292 22.067 0.140 1.00 53.23 H new ATOM 0 HG2 GLN A 34 13.478 24.733 1.061 1.00 43.44 H new ATOM 0 HG3 GLN A 34 12.870 24.369 -0.542 1.00 43.44 H new ATOM 0 HE21 GLN A 34 13.529 22.084 2.139 1.00 64.21 H new ATOM 0 HE22 GLN A 34 11.855 21.554 2.335 1.00 64.21 H new ATOM 560 N ASP A 35 15.746 25.771 1.753 1.00 65.15 N ATOM 561 CA ASP A 35 16.104 27.183 1.677 1.00 31.44 C ATOM 562 C ASP A 35 15.325 27.882 0.568 1.00 71.25 C ATOM 563 O ASP A 35 15.512 29.073 0.322 1.00 53.10 O ATOM 564 CB ASP A 35 17.606 27.338 1.440 1.00 41.13 C ATOM 565 CG ASP A 35 17.917 28.002 0.113 1.00 53.43 C ATOM 566 OD1 ASP A 35 18.018 27.281 -0.902 1.00 71.33 O ATOM 567 OD2 ASP A 35 18.057 29.242 0.088 1.00 3.31 O ATOM 0 H ASP A 35 15.203 25.517 2.578 1.00 65.15 H new ATOM 0 HA ASP A 35 15.845 27.650 2.627 1.00 31.44 H new ATOM 0 HB2 ASP A 35 18.040 27.927 2.248 1.00 41.13 H new ATOM 0 HB3 ASP A 35 18.079 26.357 1.472 1.00 41.13 H new ATOM 572 N GLN A 36 14.453 27.132 -0.099 1.00 1.21 N ATOM 573 CA GLN A 36 13.648 27.680 -1.184 1.00 0.24 C ATOM 574 C GLN A 36 12.322 28.222 -0.659 1.00 3.41 C ATOM 575 O GLN A 36 11.526 28.778 -1.413 1.00 52.31 O ATOM 576 CB GLN A 36 13.390 26.611 -2.247 1.00 23.21 C ATOM 577 CG GLN A 36 12.720 27.148 -3.501 1.00 62.11 C ATOM 578 CD GLN A 36 11.387 26.483 -3.782 1.00 20.04 C ATOM 579 OE1 GLN A 36 10.379 27.155 -3.999 1.00 53.41 O ATOM 580 NE2 GLN A 36 11.375 25.155 -3.780 1.00 3.45 N ATOM 0 H GLN A 36 14.286 26.144 0.093 1.00 1.21 H new ATOM 0 HA GLN A 36 14.203 28.503 -1.634 1.00 0.24 H new ATOM 0 HB2 GLN A 36 14.338 26.148 -2.522 1.00 23.21 H new ATOM 0 HB3 GLN A 36 12.765 25.828 -1.818 1.00 23.21 H new ATOM 0 HG2 GLN A 36 12.570 28.223 -3.396 1.00 62.11 H new ATOM 0 HG3 GLN A 36 13.382 27.000 -4.354 1.00 62.11 H new ATOM 0 HE21 GLN A 36 12.234 24.637 -3.595 1.00 3.45 H new ATOM 0 HE22 GLN A 36 10.506 24.653 -3.963 1.00 3.45 H new ATOM 589 N ALA A 37 12.095 28.055 0.640 1.00 33.22 N ATOM 590 CA ALA A 37 10.867 28.528 1.267 1.00 72.32 C ATOM 591 C ALA A 37 11.094 29.852 1.988 1.00 31.31 C ATOM 592 O ALA A 37 10.182 30.395 2.612 1.00 33.10 O ATOM 593 CB ALA A 37 10.330 27.483 2.234 1.00 2.31 C ATOM 0 H ALA A 37 12.745 27.596 1.278 1.00 33.22 H new ATOM 0 HA ALA A 37 10.129 28.693 0.482 1.00 72.32 H new ATOM 0 HB1 ALA A 37 9.413 27.851 2.694 1.00 2.31 H new ATOM 0 HB2 ALA A 37 10.120 26.560 1.693 1.00 2.31 H new ATOM 0 HB3 ALA A 37 11.072 27.288 3.008 1.00 2.31 H new ATOM 599 N SER A 38 12.316 30.366 1.900 1.00 11.32 N ATOM 600 CA SER A 38 12.665 31.625 2.549 1.00 54.35 C ATOM 601 C SER A 38 12.544 32.791 1.572 1.00 24.03 C ATOM 602 O SER A 38 13.339 33.731 1.608 1.00 0.35 O ATOM 603 CB SER A 38 14.087 31.558 3.108 1.00 10.14 C ATOM 604 OG SER A 38 15.048 31.609 2.069 1.00 55.43 O ATOM 0 H SER A 38 13.082 29.930 1.386 1.00 11.32 H new ATOM 0 HA SER A 38 11.967 31.788 3.370 1.00 54.35 H new ATOM 0 HB2 SER A 38 14.249 32.386 3.798 1.00 10.14 H new ATOM 0 HB3 SER A 38 14.213 30.638 3.679 1.00 10.14 H new ATOM 0 HG SER A 38 15.094 30.738 1.622 1.00 55.43 H new ATOM 610 N LYS A 39 11.545 32.723 0.700 1.00 42.45 N ATOM 611 CA LYS A 39 11.318 33.772 -0.287 1.00 54.05 C ATOM 612 C LYS A 39 10.099 34.612 0.082 1.00 71.44 C ATOM 613 O LYS A 39 9.716 35.522 -0.652 1.00 51.23 O ATOM 614 CB LYS A 39 11.126 33.160 -1.677 1.00 42.44 C ATOM 615 CG LYS A 39 9.681 32.823 -2.000 1.00 60.00 C ATOM 616 CD LYS A 39 9.106 31.825 -1.009 1.00 23.40 C ATOM 617 CE LYS A 39 7.641 31.536 -1.295 1.00 71.04 C ATOM 618 NZ LYS A 39 7.366 30.074 -1.357 1.00 0.01 N ATOM 0 H LYS A 39 10.879 31.952 0.656 1.00 42.45 H new ATOM 0 HA LYS A 39 12.194 34.420 -0.299 1.00 54.05 H new ATOM 0 HB2 LYS A 39 11.504 33.856 -2.426 1.00 42.44 H new ATOM 0 HB3 LYS A 39 11.727 32.254 -1.752 1.00 42.44 H new ATOM 0 HG2 LYS A 39 9.083 33.734 -1.989 1.00 60.00 H new ATOM 0 HG3 LYS A 39 9.619 32.413 -3.008 1.00 60.00 H new ATOM 0 HD2 LYS A 39 9.676 30.897 -1.053 1.00 23.40 H new ATOM 0 HD3 LYS A 39 9.210 32.215 0.003 1.00 23.40 H new ATOM 0 HE2 LYS A 39 7.023 31.989 -0.520 1.00 71.04 H new ATOM 0 HE3 LYS A 39 7.357 31.999 -2.240 1.00 71.04 H new ATOM 0 HZ1 LYS A 39 6.357 29.919 -1.554 1.00 0.01 H new ATOM 0 HZ2 LYS A 39 7.936 29.645 -2.114 1.00 0.01 H new ATOM 0 HZ3 LYS A 39 7.613 29.635 -0.447 1.00 0.01 H new ATOM 632 N ASP A 40 9.496 34.300 1.223 1.00 20.14 N ATOM 633 CA ASP A 40 8.323 35.029 1.692 1.00 72.20 C ATOM 634 C ASP A 40 7.815 34.452 3.009 1.00 21.34 C ATOM 635 O ASP A 40 6.609 34.381 3.245 1.00 74.15 O ATOM 636 CB ASP A 40 7.213 34.982 0.639 1.00 22.43 C ATOM 637 CG ASP A 40 6.575 36.337 0.410 1.00 52.52 C ATOM 638 OD1 ASP A 40 7.250 37.222 -0.156 1.00 71.33 O ATOM 639 OD2 ASP A 40 5.401 36.513 0.798 1.00 52.14 O ATOM 0 H ASP A 40 9.800 33.547 1.841 1.00 20.14 H new ATOM 0 HA ASP A 40 8.613 36.066 1.858 1.00 72.20 H new ATOM 0 HB2 ASP A 40 7.623 34.613 -0.301 1.00 22.43 H new ATOM 0 HB3 ASP A 40 6.448 34.272 0.953 1.00 22.43 H new ATOM 644 N PHE A 41 8.744 34.040 3.865 1.00 23.51 N ATOM 645 CA PHE A 41 8.391 33.466 5.159 1.00 11.33 C ATOM 646 C PHE A 41 9.441 33.809 6.211 1.00 2.30 C ATOM 647 O PHE A 41 9.115 34.290 7.296 1.00 3.04 O ATOM 648 CB PHE A 41 8.245 31.947 5.045 1.00 1.13 C ATOM 649 CG PHE A 41 7.051 31.519 4.241 1.00 72.45 C ATOM 650 CD1 PHE A 41 7.154 31.330 2.872 1.00 52.15 C ATOM 651 CD2 PHE A 41 5.827 31.304 4.853 1.00 41.11 C ATOM 652 CE1 PHE A 41 6.057 30.937 2.129 1.00 22.51 C ATOM 653 CE2 PHE A 41 4.726 30.911 4.115 1.00 21.21 C ATOM 654 CZ PHE A 41 4.842 30.725 2.752 1.00 41.23 C ATOM 0 H PHE A 41 9.747 34.093 3.686 1.00 23.51 H new ATOM 0 HA PHE A 41 7.438 33.894 5.469 1.00 11.33 H new ATOM 0 HB2 PHE A 41 9.146 31.536 4.589 1.00 1.13 H new ATOM 0 HB3 PHE A 41 8.171 31.521 6.046 1.00 1.13 H new ATOM 0 HD1 PHE A 41 8.102 31.492 2.380 1.00 52.15 H new ATOM 0 HD2 PHE A 41 5.732 31.445 5.919 1.00 41.11 H new ATOM 0 HE1 PHE A 41 6.149 30.796 1.062 1.00 22.51 H new ATOM 0 HE2 PHE A 41 3.777 30.750 4.604 1.00 21.21 H new ATOM 0 HZ PHE A 41 3.985 30.414 2.174 1.00 41.23 H new ATOM 664 N ASN A 42 10.705 33.559 5.881 1.00 11.45 N ATOM 665 CA ASN A 42 11.804 33.840 6.797 1.00 2.53 C ATOM 666 C ASN A 42 11.729 35.275 7.313 1.00 71.52 C ATOM 667 O ASN A 42 11.609 36.221 6.533 1.00 24.32 O ATOM 668 CB ASN A 42 13.147 33.606 6.102 1.00 14.24 C ATOM 669 CG ASN A 42 13.487 34.705 5.114 1.00 15.14 C ATOM 670 OD1 ASN A 42 13.049 34.676 3.963 1.00 3.41 O ATOM 671 ND2 ASN A 42 14.269 35.681 5.560 1.00 15.00 N ATOM 0 H ASN A 42 10.993 33.163 4.986 1.00 11.45 H new ATOM 0 HA ASN A 42 11.719 33.162 7.646 1.00 2.53 H new ATOM 0 HB2 ASN A 42 13.935 33.540 6.853 1.00 14.24 H new ATOM 0 HB3 ASN A 42 13.122 32.649 5.582 1.00 14.24 H new ATOM 0 HD22 ASN A 42 14.608 35.663 6.522 1.00 15.00 H new ATOM 677 N ARG A 43 11.801 35.429 8.631 1.00 25.03 N ATOM 678 CA ARG A 43 11.741 36.747 9.251 1.00 54.22 C ATOM 679 C ARG A 43 13.096 37.445 9.178 1.00 62.15 C ATOM 680 O ARG A 43 13.250 38.574 9.643 1.00 32.52 O ATOM 681 CB ARG A 43 11.295 36.628 10.710 1.00 43.33 C ATOM 682 CG ARG A 43 9.916 37.208 10.974 1.00 51.50 C ATOM 683 CD ARG A 43 9.742 37.590 12.435 1.00 25.03 C ATOM 684 NE ARG A 43 10.521 38.774 12.788 1.00 44.10 N ATOM 685 CZ ARG A 43 10.735 39.167 14.039 1.00 43.03 C ATOM 686 NH1 ARG A 43 10.233 38.473 15.051 1.00 71.50 N ATOM 687 NH2 ARG A 43 11.455 40.256 14.280 1.00 73.43 N ATOM 0 H ARG A 43 11.901 34.657 9.290 1.00 25.03 H new ATOM 0 HA ARG A 43 11.013 37.345 8.703 1.00 54.22 H new ATOM 0 HB2 ARG A 43 11.299 35.577 10.998 1.00 43.33 H new ATOM 0 HB3 ARG A 43 12.021 37.135 11.346 1.00 43.33 H new ATOM 0 HG2 ARG A 43 9.763 38.086 10.347 1.00 51.50 H new ATOM 0 HG3 ARG A 43 9.154 36.480 10.694 1.00 51.50 H new ATOM 0 HD2 ARG A 43 8.687 37.776 12.638 1.00 25.03 H new ATOM 0 HD3 ARG A 43 10.045 36.755 13.067 1.00 25.03 H new ATOM 0 HE ARG A 43 10.923 39.330 12.033 1.00 44.10 H new ATOM 0 HH11 ARG A 43 9.681 37.635 14.870 1.00 71.50 H new ATOM 0 HH12 ARG A 43 10.399 38.777 16.010 1.00 71.50 H new ATOM 0 HH21 ARG A 43 11.844 40.792 13.504 1.00 73.43 H new ATOM 0 HH22 ARG A 43 11.619 40.557 15.241 1.00 73.43 H new ATOM 701 N SER A 44 14.075 36.765 8.589 1.00 54.01 N ATOM 702 CA SER A 44 15.418 37.317 8.458 1.00 34.43 C ATOM 703 C SER A 44 16.063 37.507 9.827 1.00 33.52 C ATOM 704 O SER A 44 15.395 37.866 10.798 1.00 42.53 O ATOM 705 CB SER A 44 15.372 38.653 7.713 1.00 1.34 C ATOM 706 OG SER A 44 16.305 39.571 8.256 1.00 43.43 O ATOM 0 H SER A 44 13.963 35.831 8.195 1.00 54.01 H new ATOM 0 HA SER A 44 16.021 36.611 7.887 1.00 34.43 H new ATOM 0 HB2 SER A 44 15.588 38.492 6.657 1.00 1.34 H new ATOM 0 HB3 SER A 44 14.368 39.072 7.773 1.00 1.34 H new ATOM 0 HG SER A 44 16.258 40.416 7.762 1.00 43.43 H new ATOM 712 N LYS A 45 17.367 37.262 9.899 1.00 53.50 N ATOM 713 CA LYS A 45 18.106 37.407 11.148 1.00 41.31 C ATOM 714 C LYS A 45 18.802 38.763 11.215 1.00 11.01 C ATOM 715 O LYS A 45 18.638 39.508 12.180 1.00 32.02 O ATOM 716 CB LYS A 45 19.138 36.285 11.287 1.00 74.34 C ATOM 717 CG LYS A 45 18.566 35.002 11.863 1.00 31.34 C ATOM 718 CD LYS A 45 17.744 34.245 10.834 1.00 63.55 C ATOM 719 CE LYS A 45 18.610 33.744 9.688 1.00 54.44 C ATOM 720 NZ LYS A 45 19.820 33.029 10.179 1.00 44.52 N ATOM 0 H LYS A 45 17.934 36.962 9.106 1.00 53.50 H new ATOM 0 HA LYS A 45 17.395 37.343 11.971 1.00 41.31 H new ATOM 0 HB2 LYS A 45 19.567 36.074 10.308 1.00 74.34 H new ATOM 0 HB3 LYS A 45 19.952 36.629 11.925 1.00 74.34 H new ATOM 0 HG2 LYS A 45 19.378 34.368 12.218 1.00 31.34 H new ATOM 0 HG3 LYS A 45 17.943 35.236 12.726 1.00 31.34 H new ATOM 0 HD2 LYS A 45 17.248 33.401 11.313 1.00 63.55 H new ATOM 0 HD3 LYS A 45 16.961 34.895 10.443 1.00 63.55 H new ATOM 0 HE2 LYS A 45 18.025 33.076 9.056 1.00 54.44 H new ATOM 0 HE3 LYS A 45 18.913 34.587 9.067 1.00 54.44 H new ATOM 0 HZ1 LYS A 45 20.098 32.302 9.489 1.00 44.52 H new ATOM 0 HZ2 LYS A 45 20.599 33.707 10.300 1.00 44.52 H new ATOM 0 HZ3 LYS A 45 19.610 32.577 11.092 1.00 44.52 H new ATOM 734 N ALA A 46 19.577 39.076 10.182 1.00 0.23 N ATOM 735 CA ALA A 46 20.294 40.344 10.123 1.00 41.12 C ATOM 736 C ALA A 46 19.561 41.349 9.241 1.00 0.02 C ATOM 737 O ALA A 46 18.649 40.987 8.498 1.00 53.55 O ATOM 738 CB ALA A 46 21.711 40.125 9.611 1.00 33.12 C ATOM 0 H ALA A 46 19.724 38.470 9.375 1.00 0.23 H new ATOM 0 HA ALA A 46 20.342 40.753 11.132 1.00 41.12 H new ATOM 0 HB1 ALA A 46 22.235 41.080 9.572 1.00 33.12 H new ATOM 0 HB2 ALA A 46 22.240 39.448 10.282 1.00 33.12 H new ATOM 0 HB3 ALA A 46 21.674 39.690 8.612 1.00 33.12 H new ATOM 744 N LEU A 47 19.964 42.611 9.331 1.00 11.52 N ATOM 745 CA LEU A 47 19.344 43.671 8.542 1.00 62.33 C ATOM 746 C LEU A 47 20.355 44.762 8.206 1.00 63.12 C ATOM 747 O LEU A 47 20.886 45.426 9.096 1.00 53.12 O ATOM 748 CB LEU A 47 18.160 44.272 9.300 1.00 55.04 C ATOM 749 CG LEU A 47 16.936 43.369 9.458 1.00 53.11 C ATOM 750 CD1 LEU A 47 16.898 42.760 10.852 1.00 45.34 C ATOM 751 CD2 LEU A 47 15.658 44.148 9.181 1.00 42.32 C ATOM 0 H LEU A 47 20.717 42.926 9.942 1.00 11.52 H new ATOM 0 HA LEU A 47 18.986 43.234 7.610 1.00 62.33 H new ATOM 0 HB2 LEU A 47 18.501 44.565 10.293 1.00 55.04 H new ATOM 0 HB3 LEU A 47 17.851 45.183 8.787 1.00 55.04 H new ATOM 0 HG LEU A 47 17.010 42.560 8.731 1.00 53.11 H new ATOM 0 HD11 LEU A 47 16.020 42.121 10.946 1.00 45.34 H new ATOM 0 HD12 LEU A 47 17.798 42.167 11.015 1.00 45.34 H new ATOM 0 HD13 LEU A 47 16.848 43.556 11.595 1.00 45.34 H new ATOM 0 HD21 LEU A 47 14.798 43.489 9.298 1.00 42.32 H new ATOM 0 HD22 LEU A 47 15.578 44.978 9.883 1.00 42.32 H new ATOM 0 HD23 LEU A 47 15.682 44.536 8.163 1.00 42.32 H new ATOM 763 N PHE A 48 20.615 44.944 6.915 1.00 62.30 N ATOM 764 CA PHE A 48 21.562 45.956 6.461 1.00 53.12 C ATOM 765 C PHE A 48 22.815 45.958 7.331 1.00 14.04 C ATOM 766 O PHE A 48 23.050 45.027 8.102 1.00 52.34 O ATOM 767 CB PHE A 48 20.909 47.340 6.482 1.00 64.12 C ATOM 768 CG PHE A 48 20.458 47.769 7.848 1.00 42.20 C ATOM 769 CD1 PHE A 48 21.335 48.401 8.716 1.00 63.14 C ATOM 770 CD2 PHE A 48 19.157 47.541 8.266 1.00 14.14 C ATOM 771 CE1 PHE A 48 20.924 48.798 9.974 1.00 73.01 C ATOM 772 CE2 PHE A 48 18.739 47.937 9.523 1.00 64.32 C ATOM 773 CZ PHE A 48 19.624 48.565 10.378 1.00 20.33 C ATOM 0 H PHE A 48 20.183 44.404 6.165 1.00 62.30 H new ATOM 0 HA PHE A 48 21.853 45.714 5.439 1.00 53.12 H new ATOM 0 HB2 PHE A 48 21.617 48.073 6.095 1.00 64.12 H new ATOM 0 HB3 PHE A 48 20.052 47.339 5.809 1.00 64.12 H new ATOM 0 HD1 PHE A 48 22.353 48.585 8.405 1.00 63.14 H new ATOM 0 HD2 PHE A 48 18.462 47.048 7.603 1.00 14.14 H new ATOM 0 HE1 PHE A 48 21.618 49.289 10.640 1.00 73.01 H new ATOM 0 HE2 PHE A 48 17.721 47.756 9.836 1.00 64.32 H new ATOM 0 HZ PHE A 48 19.300 48.873 11.361 1.00 20.33 H new ATOM 783 N SER A 49 23.615 47.012 7.202 1.00 64.12 N ATOM 784 CA SER A 49 24.846 47.134 7.973 1.00 45.22 C ATOM 785 C SER A 49 25.853 46.063 7.564 1.00 42.52 C ATOM 786 O SER A 49 25.475 44.952 7.193 1.00 4.43 O ATOM 787 CB SER A 49 24.549 47.026 9.470 1.00 25.42 C ATOM 788 OG SER A 49 24.694 48.281 10.111 1.00 20.55 O ATOM 0 H SER A 49 23.433 47.793 6.571 1.00 64.12 H new ATOM 0 HA SER A 49 25.279 48.113 7.766 1.00 45.22 H new ATOM 0 HB2 SER A 49 23.535 46.654 9.617 1.00 25.42 H new ATOM 0 HB3 SER A 49 25.223 46.301 9.926 1.00 25.42 H new ATOM 0 HG SER A 49 24.497 48.185 11.066 1.00 20.55 H new ATOM 794 N GLN A 50 27.135 46.406 7.635 1.00 54.33 N ATOM 795 CA GLN A 50 28.197 45.475 7.271 1.00 15.12 C ATOM 796 C GLN A 50 27.862 44.751 5.971 1.00 24.11 C ATOM 797 O GLN A 50 26.987 45.177 5.218 1.00 2.44 O ATOM 798 CB GLN A 50 28.418 44.459 8.392 1.00 31.14 C ATOM 799 CG GLN A 50 27.304 43.432 8.512 1.00 71.43 C ATOM 800 CD GLN A 50 27.700 42.236 9.356 1.00 41.01 C ATOM 801 OE1 GLN A 50 28.837 42.137 9.818 1.00 51.45 O ATOM 802 NE2 GLN A 50 26.762 41.319 9.561 1.00 64.32 N ATOM 0 H GLN A 50 27.464 47.322 7.941 1.00 54.33 H new ATOM 0 HA GLN A 50 29.113 46.046 7.122 1.00 15.12 H new ATOM 0 HB2 GLN A 50 29.361 43.941 8.220 1.00 31.14 H new ATOM 0 HB3 GLN A 50 28.514 44.991 9.339 1.00 31.14 H new ATOM 0 HG2 GLN A 50 26.425 43.905 8.949 1.00 71.43 H new ATOM 0 HG3 GLN A 50 27.021 43.091 7.516 1.00 71.43 H new ATOM 0 HE21 GLN A 50 25.833 41.441 9.159 1.00 64.32 H new ATOM 0 HE22 GLN A 50 26.971 40.492 10.121 1.00 64.32 H new ATOM 811 N SER A 51 28.567 43.653 5.713 1.00 12.03 N ATOM 812 CA SER A 51 28.348 42.871 4.502 1.00 42.31 C ATOM 813 C SER A 51 27.079 42.034 4.618 1.00 74.12 C ATOM 814 O SER A 51 27.123 40.806 4.543 1.00 65.33 O ATOM 815 CB SER A 51 29.549 41.964 4.231 1.00 24.13 C ATOM 816 OG SER A 51 30.763 42.695 4.280 1.00 50.51 O ATOM 0 H SER A 51 29.294 43.286 6.327 1.00 12.03 H new ATOM 0 HA SER A 51 28.230 43.563 3.668 1.00 42.31 H new ATOM 0 HB2 SER A 51 29.575 41.160 4.967 1.00 24.13 H new ATOM 0 HB3 SER A 51 29.442 41.496 3.252 1.00 24.13 H new ATOM 0 HG SER A 51 31.515 42.092 4.105 1.00 50.51 H new ATOM 822 N ALA A 52 25.948 42.707 4.802 1.00 71.53 N ATOM 823 CA ALA A 52 24.666 42.025 4.926 1.00 34.21 C ATOM 824 C ALA A 52 24.418 41.099 3.740 1.00 40.03 C ATOM 825 O ALA A 52 23.931 39.981 3.905 1.00 74.15 O ATOM 826 CB ALA A 52 23.538 43.040 5.050 1.00 41.24 C ATOM 0 H ALA A 52 25.894 43.723 4.868 1.00 71.53 H new ATOM 0 HA ALA A 52 24.694 41.415 5.829 1.00 34.21 H new ATOM 0 HB1 ALA A 52 22.586 42.517 5.142 1.00 41.24 H new ATOM 0 HB2 ALA A 52 23.700 43.657 5.934 1.00 41.24 H new ATOM 0 HB3 ALA A 52 23.520 43.674 4.163 1.00 41.24 H new ATOM 832 N ILE A 53 24.756 41.573 2.545 1.00 22.34 N ATOM 833 CA ILE A 53 24.570 40.786 1.332 1.00 44.43 C ATOM 834 C ILE A 53 25.629 41.129 0.288 1.00 74.41 C ATOM 835 O ILE A 53 26.568 40.364 0.066 1.00 11.14 O ATOM 836 CB ILE A 53 23.174 41.010 0.723 1.00 1.11 C ATOM 837 CG1 ILE A 53 22.092 40.477 1.665 1.00 2.41 C ATOM 838 CG2 ILE A 53 23.076 40.340 -0.638 1.00 74.14 C ATOM 839 CD1 ILE A 53 20.690 40.619 1.116 1.00 33.13 C ATOM 0 H ILE A 53 25.160 42.497 2.391 1.00 22.34 H new ATOM 0 HA ILE A 53 24.668 39.739 1.617 1.00 44.43 H new ATOM 0 HB ILE A 53 23.019 42.081 0.590 1.00 1.11 H new ATOM 0 HG12 ILE A 53 22.288 39.425 1.872 1.00 2.41 H new ATOM 0 HG13 ILE A 53 22.157 41.006 2.616 1.00 2.41 H new ATOM 0 HG21 ILE A 53 22.083 40.508 -1.055 1.00 74.14 H new ATOM 0 HG22 ILE A 53 23.826 40.762 -1.306 1.00 74.14 H new ATOM 0 HG23 ILE A 53 23.248 39.269 -0.530 1.00 74.14 H new ATOM 0 HD11 ILE A 53 19.975 40.221 1.836 1.00 33.13 H new ATOM 0 HD12 ILE A 53 20.475 41.672 0.936 1.00 33.13 H new ATOM 0 HD13 ILE A 53 20.608 40.066 0.180 1.00 33.13 H new ATOM 851 N SER A 54 25.471 42.283 -0.350 1.00 15.43 N ATOM 852 CA SER A 54 26.411 42.728 -1.373 1.00 22.34 C ATOM 853 C SER A 54 26.452 41.743 -2.537 1.00 32.41 C ATOM 854 O SER A 54 27.184 40.755 -2.502 1.00 62.23 O ATOM 855 CB SER A 54 27.810 42.886 -0.774 1.00 43.11 C ATOM 856 OG SER A 54 28.318 44.190 -1.002 1.00 31.33 O ATOM 0 H SER A 54 24.700 42.928 -0.177 1.00 15.43 H new ATOM 0 HA SER A 54 26.073 43.694 -1.749 1.00 22.34 H new ATOM 0 HB2 SER A 54 27.775 42.688 0.297 1.00 43.11 H new ATOM 0 HB3 SER A 54 28.482 42.149 -1.212 1.00 43.11 H new ATOM 0 HG SER A 54 28.921 44.439 -0.271 1.00 31.33 H new ATOM 862 N GLN A 55 25.658 42.021 -3.566 1.00 11.01 N ATOM 863 CA GLN A 55 25.603 41.160 -4.741 1.00 55.11 C ATOM 864 C GLN A 55 26.996 40.934 -5.318 1.00 10.22 C ATOM 865 O GLN A 55 27.238 39.953 -6.021 1.00 21.13 O ATOM 866 CB GLN A 55 24.690 41.772 -5.806 1.00 45.24 C ATOM 867 CG GLN A 55 24.167 40.761 -6.813 1.00 72.52 C ATOM 868 CD GLN A 55 22.663 40.839 -6.991 1.00 30.31 C ATOM 869 OE1 GLN A 55 21.960 39.834 -6.876 1.00 61.10 O ATOM 870 NE2 GLN A 55 22.162 42.035 -7.272 1.00 13.02 N ATOM 0 H GLN A 55 25.045 42.835 -3.610 1.00 11.01 H new ATOM 0 HA GLN A 55 25.197 40.196 -4.434 1.00 55.11 H new ATOM 0 HB2 GLN A 55 23.845 42.254 -5.315 1.00 45.24 H new ATOM 0 HB3 GLN A 55 25.237 42.552 -6.337 1.00 45.24 H new ATOM 0 HG2 GLN A 55 24.652 40.928 -7.775 1.00 72.52 H new ATOM 0 HG3 GLN A 55 24.439 39.757 -6.489 1.00 72.52 H new ATOM 0 HE21 GLN A 55 22.782 42.840 -7.358 1.00 13.02 H new ATOM 0 HE22 GLN A 55 21.157 42.149 -7.402 1.00 13.02 H new ATOM 879 N LYS A 56 27.911 41.850 -5.017 1.00 14.45 N ATOM 880 CA LYS A 56 29.281 41.752 -5.503 1.00 4.31 C ATOM 881 C LYS A 56 29.835 40.346 -5.293 1.00 2.52 C ATOM 882 O LYS A 56 30.464 39.777 -6.185 1.00 13.42 O ATOM 883 CB LYS A 56 30.171 42.774 -4.792 1.00 23.12 C ATOM 884 CG LYS A 56 29.957 42.825 -3.288 1.00 55.34 C ATOM 885 CD LYS A 56 30.906 43.808 -2.623 1.00 73.13 C ATOM 886 CE LYS A 56 32.347 43.328 -2.695 1.00 62.41 C ATOM 887 NZ LYS A 56 33.142 43.783 -1.521 1.00 65.34 N ATOM 0 H LYS A 56 27.727 42.669 -4.438 1.00 14.45 H new ATOM 0 HA LYS A 56 29.276 41.965 -6.572 1.00 4.31 H new ATOM 0 HB2 LYS A 56 31.215 42.537 -4.994 1.00 23.12 H new ATOM 0 HB3 LYS A 56 29.982 43.762 -5.211 1.00 23.12 H new ATOM 0 HG2 LYS A 56 28.927 43.112 -3.076 1.00 55.34 H new ATOM 0 HG3 LYS A 56 30.105 41.832 -2.865 1.00 55.34 H new ATOM 0 HD2 LYS A 56 30.821 44.781 -3.107 1.00 73.13 H new ATOM 0 HD3 LYS A 56 30.619 43.944 -1.580 1.00 73.13 H new ATOM 0 HE2 LYS A 56 32.365 42.239 -2.746 1.00 62.41 H new ATOM 0 HE3 LYS A 56 32.808 43.698 -3.611 1.00 62.41 H new ATOM 0 HZ1 LYS A 56 34.118 43.436 -1.607 1.00 65.34 H new ATOM 0 HZ2 LYS A 56 33.146 44.822 -1.486 1.00 65.34 H new ATOM 0 HZ3 LYS A 56 32.717 43.409 -0.648 1.00 65.34 H new ATOM 901 N GLU A 57 29.595 39.792 -4.109 1.00 1.14 N ATOM 902 CA GLU A 57 30.070 38.452 -3.783 1.00 14.43 C ATOM 903 C GLU A 57 29.160 37.788 -2.753 1.00 33.30 C ATOM 904 O GLU A 57 29.596 36.932 -1.983 1.00 2.43 O ATOM 905 CB GLU A 57 31.503 38.510 -3.251 1.00 20.42 C ATOM 906 CG GLU A 57 32.475 39.197 -4.195 1.00 31.00 C ATOM 907 CD GLU A 57 33.912 39.108 -3.719 1.00 20.35 C ATOM 908 OE1 GLU A 57 34.135 39.186 -2.493 1.00 3.44 O ATOM 909 OE2 GLU A 57 34.812 38.960 -4.572 1.00 0.33 O ATOM 0 H GLU A 57 29.075 40.249 -3.360 1.00 1.14 H new ATOM 0 HA GLU A 57 30.053 37.856 -4.696 1.00 14.43 H new ATOM 0 HB2 GLU A 57 31.506 39.034 -2.295 1.00 20.42 H new ATOM 0 HB3 GLU A 57 31.852 37.495 -3.059 1.00 20.42 H new ATOM 0 HG2 GLU A 57 32.395 38.746 -5.184 1.00 31.00 H new ATOM 0 HG3 GLU A 57 32.195 40.245 -4.299 1.00 31.00 H new ATOM 916 N TYR A 58 27.893 38.188 -2.747 1.00 12.01 N ATOM 917 CA TYR A 58 26.921 37.636 -1.810 1.00 61.12 C ATOM 918 C TYR A 58 26.977 36.111 -1.805 1.00 2.11 C ATOM 919 O TYR A 58 27.280 35.485 -2.822 1.00 14.13 O ATOM 920 CB TYR A 58 25.511 38.103 -2.171 1.00 11.43 C ATOM 921 CG TYR A 58 24.882 37.318 -3.300 1.00 33.14 C ATOM 922 CD1 TYR A 58 25.556 37.129 -4.500 1.00 34.33 C ATOM 923 CD2 TYR A 58 23.614 36.765 -3.165 1.00 53.45 C ATOM 924 CE1 TYR A 58 24.984 36.412 -5.534 1.00 50.42 C ATOM 925 CE2 TYR A 58 23.035 36.047 -4.194 1.00 24.44 C ATOM 926 CZ TYR A 58 23.725 35.872 -5.376 1.00 13.34 C ATOM 927 OH TYR A 58 23.152 35.159 -6.403 1.00 20.43 O ATOM 0 H TYR A 58 27.515 38.892 -3.380 1.00 12.01 H new ATOM 0 HA TYR A 58 27.171 37.996 -0.812 1.00 61.12 H new ATOM 0 HB2 TYR A 58 24.875 38.027 -1.289 1.00 11.43 H new ATOM 0 HB3 TYR A 58 25.546 39.157 -2.448 1.00 11.43 H new ATOM 0 HD1 TYR A 58 26.543 37.549 -4.627 1.00 34.33 H new ATOM 0 HD2 TYR A 58 23.072 36.899 -2.240 1.00 53.45 H new ATOM 0 HE1 TYR A 58 25.521 36.275 -6.461 1.00 50.42 H new ATOM 0 HE2 TYR A 58 22.048 35.625 -4.074 1.00 24.44 H new ATOM 0 HH TYR A 58 22.265 34.846 -6.129 1.00 20.43 H new ATOM 937 N ASP A 59 26.684 35.519 -0.653 1.00 31.35 N ATOM 938 CA ASP A 59 26.699 34.067 -0.513 1.00 34.14 C ATOM 939 C ASP A 59 25.376 33.563 0.058 1.00 22.11 C ATOM 940 O ASP A 59 24.383 34.289 0.083 1.00 13.03 O ATOM 941 CB ASP A 59 27.856 33.632 0.387 1.00 31.30 C ATOM 942 CG ASP A 59 29.141 34.374 0.076 1.00 65.54 C ATOM 943 OD1 ASP A 59 29.613 34.285 -1.078 1.00 2.04 O ATOM 944 OD2 ASP A 59 29.675 35.042 0.984 1.00 11.33 O ATOM 0 H ASP A 59 26.433 36.022 0.198 1.00 31.35 H new ATOM 0 HA ASP A 59 26.836 33.632 -1.503 1.00 34.14 H new ATOM 0 HB2 ASP A 59 27.585 33.801 1.429 1.00 31.30 H new ATOM 0 HB3 ASP A 59 28.021 32.561 0.270 1.00 31.30 H new ATOM 949 N SER A 60 25.373 32.316 0.517 1.00 60.34 N ATOM 950 CA SER A 60 24.172 31.712 1.083 1.00 42.25 C ATOM 951 C SER A 60 24.068 32.009 2.575 1.00 24.02 C ATOM 952 O SER A 60 22.991 31.918 3.164 1.00 62.41 O ATOM 953 CB SER A 60 24.178 30.200 0.851 1.00 31.11 C ATOM 954 OG SER A 60 23.037 29.792 0.118 1.00 12.45 O ATOM 0 H SER A 60 26.189 31.704 0.508 1.00 60.34 H new ATOM 0 HA SER A 60 23.306 32.145 0.582 1.00 42.25 H new ATOM 0 HB2 SER A 60 25.081 29.915 0.312 1.00 31.11 H new ATOM 0 HB3 SER A 60 24.203 29.682 1.810 1.00 31.11 H new ATOM 0 HG SER A 60 23.065 28.822 -0.018 1.00 12.45 H new ATOM 960 N SER A 61 25.196 32.365 3.182 1.00 43.42 N ATOM 961 CA SER A 61 25.234 32.672 4.607 1.00 13.34 C ATOM 962 C SER A 61 24.177 33.713 4.967 1.00 60.04 C ATOM 963 O SER A 61 23.586 33.667 6.047 1.00 43.11 O ATOM 964 CB SER A 61 26.621 33.180 5.004 1.00 0.13 C ATOM 965 OG SER A 61 27.140 32.443 6.098 1.00 32.30 O ATOM 0 H SER A 61 26.096 32.448 2.709 1.00 43.42 H new ATOM 0 HA SER A 61 25.019 31.756 5.157 1.00 13.34 H new ATOM 0 HB2 SER A 61 27.298 33.100 4.154 1.00 0.13 H new ATOM 0 HB3 SER A 61 26.563 34.236 5.267 1.00 0.13 H new ATOM 0 HG SER A 61 28.028 32.786 6.332 1.00 32.30 H new ATOM 971 N LEU A 62 23.944 34.650 4.054 1.00 21.33 N ATOM 972 CA LEU A 62 22.958 35.703 4.274 1.00 63.11 C ATOM 973 C LEU A 62 21.541 35.141 4.219 1.00 20.15 C ATOM 974 O LEU A 62 20.672 35.545 4.992 1.00 4.03 O ATOM 975 CB LEU A 62 23.122 36.807 3.228 1.00 24.20 C ATOM 976 CG LEU A 62 22.867 36.401 1.776 1.00 21.51 C ATOM 977 CD1 LEU A 62 21.483 36.848 1.332 1.00 4.32 C ATOM 978 CD2 LEU A 62 23.936 36.983 0.864 1.00 1.31 C ATOM 0 H LEU A 62 24.424 34.702 3.155 1.00 21.33 H new ATOM 0 HA LEU A 62 23.124 36.123 5.266 1.00 63.11 H new ATOM 0 HB2 LEU A 62 22.444 37.622 3.480 1.00 24.20 H new ATOM 0 HB3 LEU A 62 24.136 37.201 3.301 1.00 24.20 H new ATOM 0 HG LEU A 62 22.914 35.314 1.709 1.00 21.51 H new ATOM 0 HD11 LEU A 62 21.319 36.550 0.296 1.00 4.32 H new ATOM 0 HD12 LEU A 62 20.729 36.382 1.967 1.00 4.32 H new ATOM 0 HD13 LEU A 62 21.407 37.932 1.414 1.00 4.32 H new ATOM 0 HD21 LEU A 62 23.738 36.684 -0.165 1.00 1.31 H new ATOM 0 HD22 LEU A 62 23.922 38.071 0.935 1.00 1.31 H new ATOM 0 HD23 LEU A 62 24.915 36.612 1.168 1.00 1.31 H new ATOM 990 N ALA A 63 21.314 34.206 3.302 1.00 42.32 N ATOM 991 CA ALA A 63 20.004 33.587 3.149 1.00 32.04 C ATOM 992 C ALA A 63 19.668 32.711 4.352 1.00 45.02 C ATOM 993 O ALA A 63 20.461 31.859 4.754 1.00 40.42 O ATOM 994 CB ALA A 63 19.953 32.769 1.867 1.00 11.41 C ATOM 0 H ALA A 63 22.022 33.861 2.653 1.00 42.32 H new ATOM 0 HA ALA A 63 19.259 34.380 3.090 1.00 32.04 H new ATOM 0 HB1 ALA A 63 18.968 32.312 1.766 1.00 11.41 H new ATOM 0 HB2 ALA A 63 20.141 33.419 1.013 1.00 11.41 H new ATOM 0 HB3 ALA A 63 20.713 31.989 1.903 1.00 11.41 H new ATOM 1000 N THR A 64 18.487 32.926 4.923 1.00 64.32 N ATOM 1001 CA THR A 64 18.046 32.157 6.081 1.00 65.14 C ATOM 1002 C THR A 64 17.995 30.667 5.763 1.00 23.30 C ATOM 1003 O THR A 64 18.440 30.231 4.700 1.00 55.52 O ATOM 1004 CB THR A 64 16.658 32.615 6.564 1.00 72.03 C ATOM 1005 OG1 THR A 64 15.666 32.289 5.585 1.00 52.02 O ATOM 1006 CG2 THR A 64 16.644 34.114 6.827 1.00 20.12 C ATOM 0 H THR A 64 17.818 33.626 4.603 1.00 64.32 H new ATOM 0 HA THR A 64 18.774 32.332 6.873 1.00 65.14 H new ATOM 0 HB THR A 64 16.433 32.096 7.496 1.00 72.03 H new ATOM 0 HG1 THR A 64 15.010 31.675 5.976 1.00 52.02 H new ATOM 0 HG21 THR A 64 15.653 34.414 7.167 1.00 20.12 H new ATOM 0 HG22 THR A 64 17.380 34.356 7.594 1.00 20.12 H new ATOM 0 HG23 THR A 64 16.889 34.647 5.908 1.00 20.12 H new ATOM 1014 N LEU A 65 17.451 29.887 6.691 1.00 1.33 N ATOM 1015 CA LEU A 65 17.341 28.445 6.511 1.00 72.43 C ATOM 1016 C LEU A 65 15.896 27.983 6.676 1.00 42.42 C ATOM 1017 O LEU A 65 15.496 27.537 7.751 1.00 73.52 O ATOM 1018 CB LEU A 65 18.238 27.715 7.512 1.00 50.33 C ATOM 1019 CG LEU A 65 19.733 28.029 7.427 1.00 74.14 C ATOM 1020 CD1 LEU A 65 20.515 27.167 8.405 1.00 2.32 C ATOM 1021 CD2 LEU A 65 20.240 27.823 6.007 1.00 21.12 C ATOM 0 H LEU A 65 17.079 30.230 7.577 1.00 1.33 H new ATOM 0 HA LEU A 65 17.667 28.206 5.499 1.00 72.43 H new ATOM 0 HB2 LEU A 65 17.894 27.953 8.519 1.00 50.33 H new ATOM 0 HB3 LEU A 65 18.104 26.642 7.374 1.00 50.33 H new ATOM 0 HG LEU A 65 19.882 29.074 7.697 1.00 74.14 H new ATOM 0 HD11 LEU A 65 21.576 27.404 8.331 1.00 2.32 H new ATOM 0 HD12 LEU A 65 20.170 27.363 9.420 1.00 2.32 H new ATOM 0 HD13 LEU A 65 20.361 26.115 8.167 1.00 2.32 H new ATOM 0 HD21 LEU A 65 21.305 28.051 5.964 1.00 21.12 H new ATOM 0 HD22 LEU A 65 20.078 26.787 5.710 1.00 21.12 H new ATOM 0 HD23 LEU A 65 19.700 28.484 5.329 1.00 21.12 H new ATOM 1033 N ASP A 66 15.120 28.094 5.604 1.00 15.12 N ATOM 1034 CA ASP A 66 13.719 27.686 5.629 1.00 3.31 C ATOM 1035 C ASP A 66 13.596 26.166 5.590 1.00 71.23 C ATOM 1036 O ASP A 66 14.269 25.498 4.804 1.00 15.13 O ATOM 1037 CB ASP A 66 12.966 28.302 4.449 1.00 72.01 C ATOM 1038 CG ASP A 66 12.013 29.399 4.880 1.00 1.55 C ATOM 1039 OD1 ASP A 66 12.494 30.482 5.274 1.00 24.52 O ATOM 1040 OD2 ASP A 66 10.785 29.176 4.824 1.00 13.11 O ATOM 0 H ASP A 66 15.436 28.463 4.707 1.00 15.12 H new ATOM 0 HA ASP A 66 13.277 28.045 6.559 1.00 3.31 H new ATOM 0 HB2 ASP A 66 13.683 28.708 3.736 1.00 72.01 H new ATOM 0 HB3 ASP A 66 12.408 27.522 3.931 1.00 72.01 H new ATOM 1045 N HIS A 67 12.733 25.625 6.444 1.00 14.24 N ATOM 1046 CA HIS A 67 12.521 24.183 6.508 1.00 43.32 C ATOM 1047 C HIS A 67 11.102 23.823 6.080 1.00 23.04 C ATOM 1048 O HIS A 67 10.215 24.677 6.050 1.00 73.23 O ATOM 1049 CB HIS A 67 12.787 23.670 7.924 1.00 14.12 C ATOM 1050 CG HIS A 67 14.082 24.150 8.502 1.00 72.32 C ATOM 1051 ND1 HIS A 67 15.183 24.661 7.903 1.00 53.21 N flip ATOM 1052 CD2 HIS A 67 14.356 24.131 9.854 1.00 65.40 C flip ATOM 1053 CE1 HIS A 67 16.092 24.940 8.894 1.00 0.41 C flip ATOM 1054 NE2 HIS A 67 15.568 24.612 10.061 1.00 25.01 N flip ATOM 0 H HIS A 67 12.169 26.163 7.102 1.00 14.24 H new ATOM 0 HA HIS A 67 13.220 23.706 5.820 1.00 43.32 H new ATOM 0 HB2 HIS A 67 11.970 23.983 8.574 1.00 14.12 H new ATOM 0 HB3 HIS A 67 12.786 22.580 7.913 1.00 14.12 H new ATOM 0 HD2 HIS A 67 13.684 23.778 10.623 1.00 65.40 H new ATOM 0 HE1 HIS A 67 17.076 25.360 8.743 1.00 0.41 H new ATOM 0 HE2 HIS A 67 16.023 24.713 10.968 1.00 25.01 H new ATOM 1062 N THR A 68 10.893 22.552 5.751 1.00 12.24 N ATOM 1063 CA THR A 68 9.582 22.079 5.324 1.00 23.44 C ATOM 1064 C THR A 68 9.217 20.771 6.017 1.00 62.15 C ATOM 1065 O THR A 68 9.817 19.730 5.751 1.00 44.23 O ATOM 1066 CB THR A 68 9.530 21.871 3.799 1.00 11.11 C ATOM 1067 OG1 THR A 68 9.845 23.096 3.127 1.00 64.34 O ATOM 1068 CG2 THR A 68 8.153 21.389 3.365 1.00 24.44 C ATOM 0 H THR A 68 11.615 21.832 5.772 1.00 12.24 H new ATOM 0 HA THR A 68 8.862 22.848 5.603 1.00 23.44 H new ATOM 0 HB THR A 68 10.264 21.111 3.533 1.00 11.11 H new ATOM 0 HG1 THR A 68 10.094 22.905 2.198 1.00 64.34 H new ATOM 0 HG21 THR A 68 8.140 21.249 2.284 1.00 24.44 H new ATOM 0 HG22 THR A 68 7.927 20.442 3.856 1.00 24.44 H new ATOM 0 HG23 THR A 68 7.404 22.130 3.644 1.00 24.44 H new ATOM 1076 N GLU A 69 8.230 20.832 6.905 1.00 73.45 N ATOM 1077 CA GLU A 69 7.786 19.650 7.635 1.00 64.11 C ATOM 1078 C GLU A 69 7.130 18.643 6.693 1.00 2.23 C ATOM 1079 O GLU A 69 6.205 18.981 5.954 1.00 40.34 O ATOM 1080 CB GLU A 69 6.806 20.046 8.740 1.00 75.40 C ATOM 1081 CG GLU A 69 5.551 20.730 8.224 1.00 30.54 C ATOM 1082 CD GLU A 69 4.873 21.579 9.283 1.00 33.30 C ATOM 1083 OE1 GLU A 69 4.546 21.037 10.359 1.00 33.12 O ATOM 1084 OE2 GLU A 69 4.669 22.785 9.034 1.00 52.44 O ATOM 0 H GLU A 69 7.723 21.686 7.136 1.00 73.45 H new ATOM 0 HA GLU A 69 8.661 19.182 8.086 1.00 64.11 H new ATOM 0 HB2 GLU A 69 6.520 19.154 9.298 1.00 75.40 H new ATOM 0 HB3 GLU A 69 7.311 20.712 9.440 1.00 75.40 H new ATOM 0 HG2 GLU A 69 5.808 21.357 7.370 1.00 30.54 H new ATOM 0 HG3 GLU A 69 4.851 19.975 7.866 1.00 30.54 H new ATOM 1091 N ILE A 70 7.616 17.407 6.727 1.00 4.32 N ATOM 1092 CA ILE A 70 7.078 16.352 5.878 1.00 15.00 C ATOM 1093 C ILE A 70 5.894 15.660 6.546 1.00 42.25 C ATOM 1094 O ILE A 70 6.060 14.912 7.509 1.00 63.23 O ATOM 1095 CB ILE A 70 8.149 15.299 5.541 1.00 64.20 C ATOM 1096 CG1 ILE A 70 9.232 15.909 4.648 1.00 1.31 C ATOM 1097 CG2 ILE A 70 7.514 14.095 4.863 1.00 21.54 C ATOM 1098 CD1 ILE A 70 10.331 16.606 5.421 1.00 72.22 C ATOM 0 H ILE A 70 8.381 17.112 7.333 1.00 4.32 H new ATOM 0 HA ILE A 70 6.746 16.828 4.956 1.00 15.00 H new ATOM 0 HB ILE A 70 8.614 14.966 6.469 1.00 64.20 H new ATOM 0 HG12 ILE A 70 9.672 15.122 4.036 1.00 1.31 H new ATOM 0 HG13 ILE A 70 8.770 16.623 3.966 1.00 1.31 H new ATOM 0 HG21 ILE A 70 8.284 13.360 4.631 1.00 21.54 H new ATOM 0 HG22 ILE A 70 6.776 13.649 5.530 1.00 21.54 H new ATOM 0 HG23 ILE A 70 7.026 14.412 3.941 1.00 21.54 H new ATOM 0 HD11 ILE A 70 11.063 17.014 4.724 1.00 72.22 H new ATOM 0 HD12 ILE A 70 9.903 17.415 6.013 1.00 72.22 H new ATOM 0 HD13 ILE A 70 10.819 15.891 6.083 1.00 72.22 H new ATOM 1110 N LYS A 71 4.698 15.914 6.026 1.00 13.42 N ATOM 1111 CA LYS A 71 3.485 15.314 6.569 1.00 50.41 C ATOM 1112 C LYS A 71 3.145 14.019 5.838 1.00 13.44 C ATOM 1113 O LYS A 71 3.676 13.745 4.762 1.00 70.40 O ATOM 1114 CB LYS A 71 2.315 16.295 6.462 1.00 71.30 C ATOM 1115 CG LYS A 71 2.083 16.816 5.054 1.00 4.22 C ATOM 1116 CD LYS A 71 2.105 18.335 5.011 1.00 34.31 C ATOM 1117 CE LYS A 71 3.468 18.861 4.591 1.00 10.41 C ATOM 1118 NZ LYS A 71 3.356 19.927 3.557 1.00 30.23 N ATOM 0 H LYS A 71 4.543 16.531 5.229 1.00 13.42 H new ATOM 0 HA LYS A 71 3.662 15.082 7.619 1.00 50.41 H new ATOM 0 HB2 LYS A 71 1.407 15.804 6.813 1.00 71.30 H new ATOM 0 HB3 LYS A 71 2.498 17.139 7.127 1.00 71.30 H new ATOM 0 HG2 LYS A 71 2.850 16.421 4.388 1.00 4.22 H new ATOM 0 HG3 LYS A 71 1.123 16.454 4.685 1.00 4.22 H new ATOM 0 HD2 LYS A 71 1.346 18.691 4.315 1.00 34.31 H new ATOM 0 HD3 LYS A 71 1.848 18.732 5.993 1.00 34.31 H new ATOM 0 HE2 LYS A 71 3.990 19.254 5.463 1.00 10.41 H new ATOM 0 HE3 LYS A 71 4.070 18.040 4.202 1.00 10.41 H new ATOM 0 HZ1 LYS A 71 4.306 20.260 3.297 1.00 30.23 H new ATOM 0 HZ2 LYS A 71 2.880 19.545 2.715 1.00 30.23 H new ATOM 0 HZ3 LYS A 71 2.803 20.722 3.936 1.00 30.23 H new ATOM 1132 N ALA A 72 2.256 13.228 6.429 1.00 73.32 N ATOM 1133 CA ALA A 72 1.842 11.964 5.832 1.00 61.31 C ATOM 1134 C ALA A 72 1.121 12.192 4.508 1.00 61.51 C ATOM 1135 O ALA A 72 0.358 13.144 4.345 1.00 34.32 O ATOM 1136 CB ALA A 72 0.952 11.192 6.794 1.00 71.40 C ATOM 0 H ALA A 72 1.808 13.440 7.321 1.00 73.32 H new ATOM 0 HA ALA A 72 2.737 11.375 5.631 1.00 61.31 H new ATOM 0 HB1 ALA A 72 0.651 10.251 6.335 1.00 71.40 H new ATOM 0 HB2 ALA A 72 1.501 10.988 7.713 1.00 71.40 H new ATOM 0 HB3 ALA A 72 0.066 11.784 7.024 1.00 71.40 H new ATOM 1142 N PRO A 73 1.367 11.299 3.538 1.00 35.40 N ATOM 1143 CA PRO A 73 0.750 11.381 2.211 1.00 40.42 C ATOM 1144 C PRO A 73 -0.744 11.078 2.246 1.00 55.43 C ATOM 1145 O PRO A 73 -1.549 11.806 1.663 1.00 51.14 O ATOM 1146 CB PRO A 73 1.494 10.313 1.406 1.00 20.13 C ATOM 1147 CG PRO A 73 1.971 9.336 2.425 1.00 11.41 C ATOM 1148 CD PRO A 73 2.265 10.138 3.662 1.00 2.33 C ATOM 0 HA PRO A 73 0.826 12.383 1.788 1.00 40.42 H new ATOM 0 HB2 PRO A 73 0.837 9.837 0.678 1.00 20.13 H new ATOM 0 HB3 PRO A 73 2.327 10.744 0.850 1.00 20.13 H new ATOM 0 HG2 PRO A 73 1.214 8.577 2.623 1.00 11.41 H new ATOM 0 HG3 PRO A 73 2.862 8.814 2.078 1.00 11.41 H new ATOM 0 HD2 PRO A 73 2.061 9.568 4.568 1.00 2.33 H new ATOM 0 HD3 PRO A 73 3.311 10.442 3.705 1.00 2.33 H new ATOM 1156 N PHE A 74 -1.108 10.001 2.933 1.00 54.41 N ATOM 1157 CA PHE A 74 -2.506 9.602 3.043 1.00 35.34 C ATOM 1158 C PHE A 74 -2.735 8.761 4.296 1.00 51.32 C ATOM 1159 O PHE A 74 -3.804 8.181 4.481 1.00 70.53 O ATOM 1160 CB PHE A 74 -2.933 8.815 1.802 1.00 15.22 C ATOM 1161 CG PHE A 74 -1.784 8.196 1.060 1.00 32.21 C ATOM 1162 CD1 PHE A 74 -0.976 7.251 1.671 1.00 30.32 C ATOM 1163 CD2 PHE A 74 -1.512 8.560 -0.250 1.00 24.15 C ATOM 1164 CE1 PHE A 74 0.082 6.681 0.990 1.00 42.03 C ATOM 1165 CE2 PHE A 74 -0.454 7.993 -0.935 1.00 71.34 C ATOM 1166 CZ PHE A 74 0.343 7.051 -0.315 1.00 70.30 C ATOM 0 H PHE A 74 -0.455 9.389 3.422 1.00 54.41 H new ATOM 0 HA PHE A 74 -3.111 10.506 3.118 1.00 35.34 H new ATOM 0 HB2 PHE A 74 -3.627 8.030 2.101 1.00 15.22 H new ATOM 0 HB3 PHE A 74 -3.474 9.480 1.129 1.00 15.22 H new ATOM 0 HD1 PHE A 74 -1.175 6.957 2.691 1.00 30.32 H new ATOM 0 HD2 PHE A 74 -2.134 9.295 -0.740 1.00 24.15 H new ATOM 0 HE1 PHE A 74 0.705 5.946 1.478 1.00 42.03 H new ATOM 0 HE2 PHE A 74 -0.251 8.286 -1.954 1.00 71.34 H new ATOM 0 HZ PHE A 74 1.169 6.605 -0.849 1.00 70.30 H new ATOM 1176 N ASP A 75 -1.722 8.702 5.154 1.00 64.43 N ATOM 1177 CA ASP A 75 -1.811 7.932 6.389 1.00 2.33 C ATOM 1178 C ASP A 75 -1.676 6.439 6.112 1.00 64.34 C ATOM 1179 O ASP A 75 -1.769 5.999 4.966 1.00 42.52 O ATOM 1180 CB ASP A 75 -3.137 8.215 7.096 1.00 73.40 C ATOM 1181 CG ASP A 75 -4.008 6.978 7.209 1.00 3.12 C ATOM 1182 OD1 ASP A 75 -4.453 6.468 6.160 1.00 12.04 O ATOM 1183 OD2 ASP A 75 -4.243 6.520 8.347 1.00 1.32 O ATOM 0 H ASP A 75 -0.830 9.178 5.017 1.00 64.43 H new ATOM 0 HA ASP A 75 -0.990 8.237 7.037 1.00 2.33 H new ATOM 0 HB2 ASP A 75 -2.937 8.608 8.093 1.00 73.40 H new ATOM 0 HB3 ASP A 75 -3.678 8.989 6.551 1.00 73.40 H new ATOM 1188 N GLY A 76 -1.455 5.662 7.168 1.00 4.44 N ATOM 1189 CA GLY A 76 -1.309 4.227 7.016 1.00 65.43 C ATOM 1190 C GLY A 76 -0.338 3.633 8.018 1.00 40.44 C ATOM 1191 O GLY A 76 -0.230 4.111 9.147 1.00 31.24 O ATOM 0 H GLY A 76 -1.375 6.002 8.126 1.00 4.44 H new ATOM 0 HA2 GLY A 76 -2.283 3.752 7.133 1.00 65.43 H new ATOM 0 HA3 GLY A 76 -0.965 4.005 6.006 1.00 65.43 H new ATOM 1195 N THR A 77 0.371 2.587 7.604 1.00 2.42 N ATOM 1196 CA THR A 77 1.336 1.926 8.473 1.00 22.15 C ATOM 1197 C THR A 77 2.765 2.301 8.095 1.00 71.01 C ATOM 1198 O THR A 77 3.142 2.240 6.925 1.00 44.14 O ATOM 1199 CB THR A 77 1.187 0.395 8.416 1.00 73.45 C ATOM 1200 OG1 THR A 77 -0.191 0.031 8.556 1.00 61.23 O ATOM 1201 CG2 THR A 77 2.006 -0.271 9.511 1.00 54.42 C ATOM 0 H THR A 77 0.295 2.180 6.672 1.00 2.42 H new ATOM 0 HA THR A 77 1.131 2.266 9.488 1.00 22.15 H new ATOM 0 HB THR A 77 1.557 0.053 7.449 1.00 73.45 H new ATOM 0 HG1 THR A 77 -0.277 -0.944 8.517 1.00 61.23 H new ATOM 0 HG21 THR A 77 1.884 -1.352 9.450 1.00 54.42 H new ATOM 0 HG22 THR A 77 3.058 -0.017 9.384 1.00 54.42 H new ATOM 0 HG23 THR A 77 1.663 0.078 10.485 1.00 54.42 H new ATOM 1209 N ILE A 78 3.554 2.687 9.091 1.00 11.31 N ATOM 1210 CA ILE A 78 4.941 3.070 8.862 1.00 3.54 C ATOM 1211 C ILE A 78 5.899 2.021 9.415 1.00 22.22 C ATOM 1212 O ILE A 78 5.609 1.367 10.416 1.00 63.21 O ATOM 1213 CB ILE A 78 5.263 4.432 9.504 1.00 44.12 C ATOM 1214 CG1 ILE A 78 6.527 5.029 8.881 1.00 51.12 C ATOM 1215 CG2 ILE A 78 5.428 4.283 11.009 1.00 41.51 C ATOM 1216 CD1 ILE A 78 6.501 6.539 8.788 1.00 32.43 C ATOM 0 H ILE A 78 3.256 2.743 10.065 1.00 11.31 H new ATOM 0 HA ILE A 78 5.073 3.147 7.783 1.00 3.54 H new ATOM 0 HB ILE A 78 4.432 5.111 9.315 1.00 44.12 H new ATOM 0 HG12 ILE A 78 7.391 4.724 9.471 1.00 51.12 H new ATOM 0 HG13 ILE A 78 6.661 4.614 7.882 1.00 51.12 H new ATOM 0 HG21 ILE A 78 5.655 5.254 11.448 1.00 41.51 H new ATOM 0 HG22 ILE A 78 4.504 3.897 11.440 1.00 41.51 H new ATOM 0 HG23 ILE A 78 6.243 3.590 11.219 1.00 41.51 H new ATOM 0 HD11 ILE A 78 7.428 6.892 8.337 1.00 32.43 H new ATOM 0 HD12 ILE A 78 5.657 6.851 8.173 1.00 32.43 H new ATOM 0 HD13 ILE A 78 6.399 6.963 9.787 1.00 32.43 H new ATOM 1228 N GLY A 79 7.045 1.867 8.758 1.00 52.51 N ATOM 1229 CA GLY A 79 8.030 0.897 9.199 1.00 31.14 C ATOM 1230 C GLY A 79 9.240 1.549 9.836 1.00 10.23 C ATOM 1231 O GLY A 79 9.140 2.635 10.410 1.00 61.43 O ATOM 0 H GLY A 79 7.309 2.397 7.928 1.00 52.51 H new ATOM 0 HA2 GLY A 79 7.569 0.216 9.914 1.00 31.14 H new ATOM 0 HA3 GLY A 79 8.351 0.297 8.348 1.00 31.14 H new ATOM 1235 N ASP A 80 10.388 0.886 9.738 1.00 13.13 N ATOM 1236 CA ASP A 80 11.623 1.408 10.311 1.00 51.20 C ATOM 1237 C ASP A 80 12.217 2.496 9.422 1.00 13.52 C ATOM 1238 O ASP A 80 11.680 2.804 8.358 1.00 10.41 O ATOM 1239 CB ASP A 80 12.638 0.280 10.503 1.00 15.31 C ATOM 1240 CG ASP A 80 13.313 0.333 11.859 1.00 10.14 C ATOM 1241 OD1 ASP A 80 12.658 -0.017 12.863 1.00 53.31 O ATOM 1242 OD2 ASP A 80 14.498 0.726 11.917 1.00 13.43 O ATOM 0 H ASP A 80 10.488 -0.013 9.267 1.00 13.13 H new ATOM 0 HA ASP A 80 11.388 1.844 11.282 1.00 51.20 H new ATOM 0 HB2 ASP A 80 12.136 -0.680 10.388 1.00 15.31 H new ATOM 0 HB3 ASP A 80 13.395 0.339 9.721 1.00 15.31 H new ATOM 1247 N ALA A 81 13.327 3.077 9.866 1.00 24.32 N ATOM 1248 CA ALA A 81 13.994 4.130 9.111 1.00 60.21 C ATOM 1249 C ALA A 81 15.243 3.599 8.415 1.00 15.44 C ATOM 1250 O ALA A 81 15.908 2.693 8.917 1.00 23.34 O ATOM 1251 CB ALA A 81 14.351 5.291 10.027 1.00 34.21 C ATOM 0 H ALA A 81 13.783 2.836 10.746 1.00 24.32 H new ATOM 0 HA ALA A 81 13.306 4.485 8.344 1.00 60.21 H new ATOM 0 HB1 ALA A 81 14.849 6.070 9.450 1.00 34.21 H new ATOM 0 HB2 ALA A 81 13.442 5.695 10.474 1.00 34.21 H new ATOM 0 HB3 ALA A 81 15.018 4.941 10.815 1.00 34.21 H new ATOM 1257 N LEU A 82 15.555 4.170 7.257 1.00 71.34 N ATOM 1258 CA LEU A 82 16.725 3.753 6.490 1.00 50.20 C ATOM 1259 C LEU A 82 17.923 4.646 6.798 1.00 74.24 C ATOM 1260 O LEU A 82 18.976 4.167 7.219 1.00 73.44 O ATOM 1261 CB LEU A 82 16.417 3.790 4.992 1.00 3.42 C ATOM 1262 CG LEU A 82 15.569 2.639 4.452 1.00 20.23 C ATOM 1263 CD1 LEU A 82 15.078 2.951 3.047 1.00 43.12 C ATOM 1264 CD2 LEU A 82 16.361 1.340 4.466 1.00 43.23 C ATOM 0 H LEU A 82 15.015 4.922 6.828 1.00 71.34 H new ATOM 0 HA LEU A 82 16.973 2.731 6.778 1.00 50.20 H new ATOM 0 HB2 LEU A 82 15.906 4.727 4.770 1.00 3.42 H new ATOM 0 HB3 LEU A 82 17.361 3.805 4.448 1.00 3.42 H new ATOM 0 HG LEU A 82 14.701 2.518 5.100 1.00 20.23 H new ATOM 0 HD11 LEU A 82 14.476 2.120 2.679 1.00 43.12 H new ATOM 0 HD12 LEU A 82 14.473 3.857 3.066 1.00 43.12 H new ATOM 0 HD13 LEU A 82 15.933 3.100 2.387 1.00 43.12 H new ATOM 0 HD21 LEU A 82 15.741 0.532 4.078 1.00 43.23 H new ATOM 0 HD22 LEU A 82 17.248 1.448 3.842 1.00 43.23 H new ATOM 0 HD23 LEU A 82 16.662 1.108 5.488 1.00 43.23 H new ATOM 1276 N VAL A 83 17.754 5.947 6.586 1.00 45.02 N ATOM 1277 CA VAL A 83 18.820 6.908 6.844 1.00 62.24 C ATOM 1278 C VAL A 83 18.548 7.702 8.117 1.00 45.45 C ATOM 1279 O VAL A 83 17.502 7.550 8.744 1.00 75.34 O ATOM 1280 CB VAL A 83 18.990 7.887 5.667 1.00 33.25 C ATOM 1281 CG1 VAL A 83 19.225 7.128 4.370 1.00 15.30 C ATOM 1282 CG2 VAL A 83 17.775 8.795 5.551 1.00 30.12 C ATOM 0 H VAL A 83 16.889 6.360 6.236 1.00 45.02 H new ATOM 0 HA VAL A 83 19.740 6.336 6.966 1.00 62.24 H new ATOM 0 HB VAL A 83 19.864 8.510 5.858 1.00 33.25 H new ATOM 0 HG11 VAL A 83 19.343 7.836 3.550 1.00 15.30 H new ATOM 0 HG12 VAL A 83 20.128 6.524 4.460 1.00 15.30 H new ATOM 0 HG13 VAL A 83 18.373 6.479 4.169 1.00 15.30 H new ATOM 0 HG21 VAL A 83 17.912 9.480 4.715 1.00 30.12 H new ATOM 0 HG22 VAL A 83 16.884 8.190 5.383 1.00 30.12 H new ATOM 0 HG23 VAL A 83 17.658 9.366 6.472 1.00 30.12 H new ATOM 1292 N ASN A 84 19.500 8.551 8.492 1.00 40.32 N ATOM 1293 CA ASN A 84 19.364 9.371 9.691 1.00 33.54 C ATOM 1294 C ASN A 84 19.304 10.852 9.333 1.00 33.35 C ATOM 1295 O ASN A 84 19.279 11.217 8.158 1.00 74.14 O ATOM 1296 CB ASN A 84 20.530 9.112 10.647 1.00 75.12 C ATOM 1297 CG ASN A 84 20.977 7.662 10.634 1.00 12.21 C ATOM 1298 OD1 ASN A 84 20.464 6.836 11.389 1.00 13.10 O ATOM 1299 ND2 ASN A 84 21.939 7.347 9.773 1.00 11.45 N ATOM 0 H ASN A 84 20.373 8.689 7.983 1.00 40.32 H new ATOM 0 HA ASN A 84 18.432 9.097 10.184 1.00 33.54 H new ATOM 0 HB2 ASN A 84 21.370 9.751 10.373 1.00 75.12 H new ATOM 0 HB3 ASN A 84 20.235 9.390 11.659 1.00 75.12 H new ATOM 0 HD21 ASN A 84 22.281 6.388 9.719 1.00 11.45 H new ATOM 0 HD22 ASN A 84 22.335 8.065 9.166 1.00 11.45 H new ATOM 1306 N ILE A 85 19.281 11.702 10.355 1.00 71.52 N ATOM 1307 CA ILE A 85 19.226 13.143 10.148 1.00 3.20 C ATOM 1308 C ILE A 85 20.579 13.687 9.701 1.00 72.10 C ATOM 1309 O ILE A 85 21.616 13.068 9.936 1.00 12.11 O ATOM 1310 CB ILE A 85 18.787 13.879 11.428 1.00 40.32 C ATOM 1311 CG1 ILE A 85 17.569 13.191 12.046 1.00 33.41 C ATOM 1312 CG2 ILE A 85 18.480 15.338 11.122 1.00 71.25 C ATOM 1313 CD1 ILE A 85 17.129 13.804 13.358 1.00 70.04 C ATOM 0 H ILE A 85 19.300 11.417 11.334 1.00 71.52 H new ATOM 0 HA ILE A 85 18.489 13.321 9.365 1.00 3.20 H new ATOM 0 HB ILE A 85 19.605 13.844 12.148 1.00 40.32 H new ATOM 0 HG12 ILE A 85 16.741 13.233 11.339 1.00 33.41 H new ATOM 0 HG13 ILE A 85 17.799 12.138 12.206 1.00 33.41 H new ATOM 0 HG21 ILE A 85 18.171 15.844 12.037 1.00 71.25 H new ATOM 0 HG22 ILE A 85 19.372 15.821 10.723 1.00 71.25 H new ATOM 0 HG23 ILE A 85 17.677 15.394 10.387 1.00 71.25 H new ATOM 0 HD11 ILE A 85 16.261 13.266 13.738 1.00 70.04 H new ATOM 0 HD12 ILE A 85 17.942 13.738 14.081 1.00 70.04 H new ATOM 0 HD13 ILE A 85 16.867 14.850 13.201 1.00 70.04 H new ATOM 1325 N GLY A 86 20.560 14.849 9.057 1.00 54.24 N ATOM 1326 CA GLY A 86 21.791 15.458 8.588 1.00 73.15 C ATOM 1327 C GLY A 86 22.221 14.928 7.234 1.00 21.33 C ATOM 1328 O GLY A 86 23.261 15.324 6.707 1.00 52.12 O ATOM 0 H GLY A 86 19.714 15.380 8.851 1.00 54.24 H new ATOM 0 HA2 GLY A 86 21.658 16.538 8.526 1.00 73.15 H new ATOM 0 HA3 GLY A 86 22.583 15.275 9.314 1.00 73.15 H new ATOM 1332 N ASP A 87 21.421 14.029 6.671 1.00 4.24 N ATOM 1333 CA ASP A 87 21.725 13.443 5.371 1.00 42.31 C ATOM 1334 C ASP A 87 20.950 14.150 4.262 1.00 25.41 C ATOM 1335 O ASP A 87 19.719 14.169 4.267 1.00 44.24 O ATOM 1336 CB ASP A 87 21.394 11.950 5.370 1.00 40.35 C ATOM 1337 CG ASP A 87 22.633 11.083 5.264 1.00 20.05 C ATOM 1338 OD1 ASP A 87 23.708 11.526 5.719 1.00 55.43 O ATOM 1339 OD2 ASP A 87 22.527 9.961 4.727 1.00 61.43 O ATOM 0 H ASP A 87 20.557 13.690 7.095 1.00 4.24 H new ATOM 0 HA ASP A 87 22.791 13.570 5.183 1.00 42.31 H new ATOM 0 HB2 ASP A 87 20.856 11.699 6.284 1.00 40.35 H new ATOM 0 HB3 ASP A 87 20.727 11.729 4.537 1.00 40.35 H new ATOM 1344 N TYR A 88 21.679 14.729 3.315 1.00 13.31 N ATOM 1345 CA TYR A 88 21.060 15.439 2.202 1.00 43.40 C ATOM 1346 C TYR A 88 20.167 14.507 1.390 1.00 72.54 C ATOM 1347 O TYR A 88 20.624 13.492 0.864 1.00 33.13 O ATOM 1348 CB TYR A 88 22.133 16.050 1.300 1.00 64.04 C ATOM 1349 CG TYR A 88 21.580 16.987 0.249 1.00 24.21 C ATOM 1350 CD1 TYR A 88 21.204 16.515 -1.002 1.00 60.41 C ATOM 1351 CD2 TYR A 88 21.435 18.344 0.508 1.00 30.33 C ATOM 1352 CE1 TYR A 88 20.698 17.367 -1.965 1.00 23.10 C ATOM 1353 CE2 TYR A 88 20.929 19.204 -0.448 1.00 30.01 C ATOM 1354 CZ TYR A 88 20.564 18.711 -1.683 1.00 31.44 C ATOM 1355 OH TYR A 88 20.059 19.563 -2.638 1.00 23.30 O ATOM 0 H TYR A 88 22.699 14.721 3.296 1.00 13.31 H new ATOM 0 HA TYR A 88 20.442 16.238 2.612 1.00 43.40 H new ATOM 0 HB2 TYR A 88 22.849 16.592 1.918 1.00 64.04 H new ATOM 0 HB3 TYR A 88 22.681 15.247 0.807 1.00 64.04 H new ATOM 0 HD1 TYR A 88 21.309 15.464 -1.226 1.00 60.41 H new ATOM 0 HD2 TYR A 88 21.723 18.734 1.473 1.00 30.33 H new ATOM 0 HE1 TYR A 88 20.409 16.983 -2.932 1.00 23.10 H new ATOM 0 HE2 TYR A 88 20.820 20.256 -0.229 1.00 30.01 H new ATOM 0 HH TYR A 88 20.029 20.475 -2.280 1.00 23.30 H new ATOM 1365 N VAL A 89 18.890 14.860 1.290 1.00 35.42 N ATOM 1366 CA VAL A 89 17.930 14.057 0.541 1.00 52.30 C ATOM 1367 C VAL A 89 17.788 14.564 -0.890 1.00 12.44 C ATOM 1368 O VAL A 89 17.956 15.754 -1.157 1.00 11.42 O ATOM 1369 CB VAL A 89 16.545 14.062 1.216 1.00 42.43 C ATOM 1370 CG1 VAL A 89 16.542 13.154 2.435 1.00 5.44 C ATOM 1371 CG2 VAL A 89 16.143 15.480 1.595 1.00 65.22 C ATOM 0 H VAL A 89 18.495 15.697 1.718 1.00 35.42 H new ATOM 0 HA VAL A 89 18.314 13.037 0.526 1.00 52.30 H new ATOM 0 HB VAL A 89 15.812 13.678 0.506 1.00 42.43 H new ATOM 0 HG11 VAL A 89 15.556 13.170 2.899 1.00 5.44 H new ATOM 0 HG12 VAL A 89 16.783 12.135 2.131 1.00 5.44 H new ATOM 0 HG13 VAL A 89 17.285 13.504 3.151 1.00 5.44 H new ATOM 0 HG21 VAL A 89 15.162 15.465 2.071 1.00 65.22 H new ATOM 0 HG22 VAL A 89 16.876 15.893 2.288 1.00 65.22 H new ATOM 0 HG23 VAL A 89 16.102 16.099 0.698 1.00 65.22 H new ATOM 1381 N SER A 90 17.477 13.654 -1.806 1.00 73.31 N ATOM 1382 CA SER A 90 17.314 14.007 -3.212 1.00 4.55 C ATOM 1383 C SER A 90 15.840 14.030 -3.600 1.00 12.33 C ATOM 1384 O SER A 90 15.265 13.004 -3.959 1.00 60.24 O ATOM 1385 CB SER A 90 18.071 13.018 -4.100 1.00 4.24 C ATOM 1386 OG SER A 90 19.229 13.616 -4.658 1.00 74.11 O ATOM 0 H SER A 90 17.333 12.665 -1.600 1.00 73.31 H new ATOM 0 HA SER A 90 17.726 15.005 -3.359 1.00 4.55 H new ATOM 0 HB2 SER A 90 18.356 12.143 -3.515 1.00 4.24 H new ATOM 0 HB3 SER A 90 17.418 12.668 -4.899 1.00 4.24 H new ATOM 0 HG SER A 90 19.696 12.963 -5.220 1.00 74.11 H new ATOM 1392 N ALA A 91 15.232 15.210 -3.524 1.00 4.52 N ATOM 1393 CA ALA A 91 13.825 15.370 -3.869 1.00 41.22 C ATOM 1394 C ALA A 91 12.986 14.241 -3.281 1.00 73.03 C ATOM 1395 O ALA A 91 13.342 13.657 -2.258 1.00 20.33 O ATOM 1396 CB ALA A 91 13.655 15.425 -5.379 1.00 70.25 C ATOM 0 H ALA A 91 15.693 16.070 -3.226 1.00 4.52 H new ATOM 0 HA ALA A 91 13.475 16.310 -3.441 1.00 41.22 H new ATOM 0 HB1 ALA A 91 12.599 15.545 -5.622 1.00 70.25 H new ATOM 0 HB2 ALA A 91 14.217 16.269 -5.778 1.00 70.25 H new ATOM 0 HB3 ALA A 91 14.027 14.500 -5.821 1.00 70.25 H new ATOM 1402 N SER A 92 11.868 13.939 -3.934 1.00 61.24 N ATOM 1403 CA SER A 92 10.974 12.883 -3.472 1.00 51.35 C ATOM 1404 C SER A 92 11.588 11.508 -3.717 1.00 1.02 C ATOM 1405 O SER A 92 11.006 10.482 -3.362 1.00 52.13 O ATOM 1406 CB SER A 92 9.622 12.984 -4.182 1.00 24.22 C ATOM 1407 OG SER A 92 8.613 12.306 -3.454 1.00 63.14 O ATOM 0 H SER A 92 11.560 14.410 -4.784 1.00 61.24 H new ATOM 0 HA SER A 92 10.824 13.010 -2.400 1.00 51.35 H new ATOM 0 HB2 SER A 92 9.347 14.032 -4.301 1.00 24.22 H new ATOM 0 HB3 SER A 92 9.700 12.560 -5.183 1.00 24.22 H new ATOM 0 HG SER A 92 8.316 12.866 -2.707 1.00 63.14 H new ATOM 1413 N THR A 93 12.770 11.493 -4.326 1.00 34.33 N ATOM 1414 CA THR A 93 13.463 10.245 -4.620 1.00 11.11 C ATOM 1415 C THR A 93 14.066 9.641 -3.357 1.00 14.02 C ATOM 1416 O THR A 93 14.341 8.442 -3.299 1.00 1.05 O ATOM 1417 CB THR A 93 14.581 10.454 -5.659 1.00 34.03 C ATOM 1418 OG1 THR A 93 14.047 11.076 -6.833 1.00 12.20 O ATOM 1419 CG2 THR A 93 15.229 9.129 -6.031 1.00 20.14 C ATOM 0 H THR A 93 13.267 12.332 -4.625 1.00 34.33 H new ATOM 0 HA THR A 93 12.720 9.560 -5.029 1.00 11.11 H new ATOM 0 HB THR A 93 15.340 11.100 -5.219 1.00 34.03 H new ATOM 0 HG1 THR A 93 14.764 11.207 -7.488 1.00 12.20 H new ATOM 0 HG21 THR A 93 16.015 9.302 -6.766 1.00 20.14 H new ATOM 0 HG22 THR A 93 15.659 8.672 -5.140 1.00 20.14 H new ATOM 0 HG23 THR A 93 14.477 8.462 -6.454 1.00 20.14 H new ATOM 1427 N THR A 94 14.269 10.479 -2.345 1.00 24.14 N ATOM 1428 CA THR A 94 14.840 10.028 -1.082 1.00 21.34 C ATOM 1429 C THR A 94 13.889 9.084 -0.354 1.00 44.22 C ATOM 1430 O THR A 94 12.940 9.524 0.293 1.00 61.31 O ATOM 1431 CB THR A 94 15.173 11.215 -0.159 1.00 33.12 C ATOM 1432 OG1 THR A 94 15.710 10.738 1.079 1.00 21.12 O ATOM 1433 CG2 THR A 94 13.932 12.054 0.111 1.00 1.21 C ATOM 0 H THR A 94 14.046 11.474 -2.376 1.00 24.14 H new ATOM 0 HA THR A 94 15.761 9.497 -1.324 1.00 21.34 H new ATOM 0 HB THR A 94 15.914 11.839 -0.659 1.00 33.12 H new ATOM 0 HG1 THR A 94 16.638 10.453 0.945 1.00 21.12 H new ATOM 0 HG21 THR A 94 14.191 12.887 0.765 1.00 1.21 H new ATOM 0 HG22 THR A 94 13.542 12.440 -0.831 1.00 1.21 H new ATOM 0 HG23 THR A 94 13.173 11.437 0.592 1.00 1.21 H new ATOM 1441 N GLU A 95 14.152 7.785 -0.464 1.00 52.22 N ATOM 1442 CA GLU A 95 13.317 6.781 0.183 1.00 23.45 C ATOM 1443 C GLU A 95 13.901 6.378 1.535 1.00 2.44 C ATOM 1444 O GLU A 95 14.671 5.422 1.632 1.00 13.25 O ATOM 1445 CB GLU A 95 13.179 5.547 -0.711 1.00 52.03 C ATOM 1446 CG GLU A 95 14.496 5.068 -1.297 1.00 62.43 C ATOM 1447 CD GLU A 95 14.534 3.565 -1.496 1.00 12.00 C ATOM 1448 OE1 GLU A 95 13.451 2.960 -1.645 1.00 64.22 O ATOM 1449 OE2 GLU A 95 15.644 2.994 -1.503 1.00 42.40 O ATOM 0 H GLU A 95 14.936 7.405 -0.994 1.00 52.22 H new ATOM 0 HA GLU A 95 12.331 7.216 0.346 1.00 23.45 H new ATOM 0 HB2 GLU A 95 12.733 4.738 -0.132 1.00 52.03 H new ATOM 0 HB3 GLU A 95 12.490 5.774 -1.525 1.00 52.03 H new ATOM 0 HG2 GLU A 95 14.664 5.562 -2.254 1.00 62.43 H new ATOM 0 HG3 GLU A 95 15.312 5.364 -0.638 1.00 62.43 H new ATOM 1456 N LEU A 96 13.529 7.116 2.576 1.00 70.20 N ATOM 1457 CA LEU A 96 14.015 6.838 3.923 1.00 12.31 C ATOM 1458 C LEU A 96 13.156 5.777 4.603 1.00 2.04 C ATOM 1459 O LEU A 96 13.654 4.728 5.012 1.00 22.11 O ATOM 1460 CB LEU A 96 14.021 8.119 4.759 1.00 2.30 C ATOM 1461 CG LEU A 96 12.928 9.137 4.434 1.00 33.54 C ATOM 1462 CD1 LEU A 96 12.402 9.780 5.709 1.00 42.13 C ATOM 1463 CD2 LEU A 96 13.452 10.197 3.476 1.00 14.21 C ATOM 0 H LEU A 96 12.893 7.911 2.513 1.00 70.20 H new ATOM 0 HA LEU A 96 15.034 6.459 3.844 1.00 12.31 H new ATOM 0 HB2 LEU A 96 13.932 7.844 5.810 1.00 2.30 H new ATOM 0 HB3 LEU A 96 14.989 8.604 4.637 1.00 2.30 H new ATOM 0 HG LEU A 96 12.104 8.614 3.948 1.00 33.54 H new ATOM 0 HD11 LEU A 96 11.625 10.502 5.459 1.00 42.13 H new ATOM 0 HD12 LEU A 96 11.987 9.011 6.360 1.00 42.13 H new ATOM 0 HD13 LEU A 96 13.217 10.289 6.223 1.00 42.13 H new ATOM 0 HD21 LEU A 96 12.660 10.913 3.256 1.00 14.21 H new ATOM 0 HD22 LEU A 96 14.294 10.717 3.934 1.00 14.21 H new ATOM 0 HD23 LEU A 96 13.778 9.722 2.551 1.00 14.21 H new ATOM 1475 N VAL A 97 11.862 6.057 4.721 1.00 72.01 N ATOM 1476 CA VAL A 97 10.932 5.127 5.349 1.00 24.53 C ATOM 1477 C VAL A 97 9.832 4.709 4.379 1.00 42.21 C ATOM 1478 O VAL A 97 9.428 5.484 3.512 1.00 41.32 O ATOM 1479 CB VAL A 97 10.287 5.739 6.606 1.00 2.23 C ATOM 1480 CG1 VAL A 97 9.474 6.973 6.242 1.00 61.32 C ATOM 1481 CG2 VAL A 97 9.421 4.709 7.316 1.00 2.32 C ATOM 0 H VAL A 97 11.434 6.921 4.389 1.00 72.01 H new ATOM 0 HA VAL A 97 11.511 4.250 5.638 1.00 24.53 H new ATOM 0 HB VAL A 97 11.080 6.044 7.288 1.00 2.23 H new ATOM 0 HG11 VAL A 97 9.026 7.392 7.143 1.00 61.32 H new ATOM 0 HG12 VAL A 97 10.126 7.716 5.782 1.00 61.32 H new ATOM 0 HG13 VAL A 97 8.687 6.696 5.540 1.00 61.32 H new ATOM 0 HG21 VAL A 97 8.973 5.159 8.202 1.00 2.32 H new ATOM 0 HG22 VAL A 97 8.633 4.370 6.643 1.00 2.32 H new ATOM 0 HG23 VAL A 97 10.036 3.859 7.612 1.00 2.32 H new ATOM 1491 N ARG A 98 9.351 3.480 4.532 1.00 44.34 N ATOM 1492 CA ARG A 98 8.298 2.959 3.668 1.00 53.22 C ATOM 1493 C ARG A 98 6.978 2.851 4.425 1.00 31.05 C ATOM 1494 O ARG A 98 6.961 2.717 5.649 1.00 73.42 O ATOM 1495 CB ARG A 98 8.694 1.589 3.114 1.00 4.12 C ATOM 1496 CG ARG A 98 8.202 1.339 1.698 1.00 31.21 C ATOM 1497 CD ARG A 98 7.128 0.262 1.664 1.00 71.20 C ATOM 1498 NE ARG A 98 7.548 -0.907 0.897 1.00 45.34 N ATOM 1499 CZ ARG A 98 8.320 -1.870 1.387 1.00 12.14 C ATOM 1500 NH1 ARG A 98 8.752 -1.804 2.639 1.00 61.45 N ATOM 1501 NH2 ARG A 98 8.660 -2.901 0.626 1.00 61.43 N ATOM 0 H ARG A 98 9.673 2.826 5.246 1.00 44.34 H new ATOM 0 HA ARG A 98 8.166 3.654 2.839 1.00 53.22 H new ATOM 0 HB2 ARG A 98 9.780 1.499 3.133 1.00 4.12 H new ATOM 0 HB3 ARG A 98 8.298 0.813 3.769 1.00 4.12 H new ATOM 0 HG2 ARG A 98 7.804 2.264 1.281 1.00 31.21 H new ATOM 0 HG3 ARG A 98 9.040 1.039 1.068 1.00 31.21 H new ATOM 0 HD2 ARG A 98 6.886 -0.041 2.683 1.00 71.20 H new ATOM 0 HD3 ARG A 98 6.217 0.673 1.229 1.00 71.20 H new ATOM 0 HE ARG A 98 7.231 -0.989 -0.069 1.00 45.34 H new ATOM 0 HH11 ARG A 98 8.491 -1.013 3.227 1.00 61.45 H new ATOM 0 HH12 ARG A 98 9.345 -2.545 3.014 1.00 61.45 H new ATOM 0 HH21 ARG A 98 8.329 -2.955 -0.337 1.00 61.43 H new ATOM 0 HH22 ARG A 98 9.253 -3.640 1.004 1.00 61.43 H new ATOM 1515 N VAL A 99 5.873 2.913 3.689 1.00 32.12 N ATOM 1516 CA VAL A 99 4.548 2.822 4.291 1.00 33.22 C ATOM 1517 C VAL A 99 3.748 1.671 3.689 1.00 24.10 C ATOM 1518 O VAL A 99 3.770 1.452 2.478 1.00 53.03 O ATOM 1519 CB VAL A 99 3.758 4.132 4.109 1.00 32.50 C ATOM 1520 CG1 VAL A 99 2.264 3.876 4.244 1.00 11.51 C ATOM 1521 CG2 VAL A 99 4.221 5.177 5.111 1.00 22.22 C ATOM 0 H VAL A 99 5.869 3.026 2.675 1.00 32.12 H new ATOM 0 HA VAL A 99 4.696 2.640 5.355 1.00 33.22 H new ATOM 0 HB VAL A 99 3.948 4.515 3.106 1.00 32.50 H new ATOM 0 HG11 VAL A 99 1.721 4.812 4.113 1.00 11.51 H new ATOM 0 HG12 VAL A 99 1.947 3.163 3.483 1.00 11.51 H new ATOM 0 HG13 VAL A 99 2.052 3.470 5.233 1.00 11.51 H new ATOM 0 HG21 VAL A 99 3.652 6.096 4.968 1.00 22.22 H new ATOM 0 HG22 VAL A 99 4.062 4.806 6.123 1.00 22.22 H new ATOM 0 HG23 VAL A 99 5.281 5.380 4.961 1.00 22.22 H new ATOM 1531 N THR A 100 3.042 0.937 4.544 1.00 3.24 N ATOM 1532 CA THR A 100 2.237 -0.192 4.097 1.00 21.33 C ATOM 1533 C THR A 100 0.787 -0.043 4.544 1.00 54.12 C ATOM 1534 O THR A 100 0.453 0.859 5.311 1.00 71.32 O ATOM 1535 CB THR A 100 2.792 -1.525 4.633 1.00 52.30 C ATOM 1536 OG1 THR A 100 2.428 -1.690 6.009 1.00 72.34 O ATOM 1537 CG2 THR A 100 4.306 -1.575 4.494 1.00 23.51 C ATOM 0 H THR A 100 3.012 1.105 5.550 1.00 3.24 H new ATOM 0 HA THR A 100 2.281 -0.200 3.008 1.00 21.33 H new ATOM 0 HB THR A 100 2.362 -2.335 4.045 1.00 52.30 H new ATOM 0 HG1 THR A 100 2.783 -2.541 6.342 1.00 72.34 H new ATOM 0 HG21 THR A 100 4.676 -2.525 4.879 1.00 23.51 H new ATOM 0 HG22 THR A 100 4.578 -1.479 3.443 1.00 23.51 H new ATOM 0 HG23 THR A 100 4.751 -0.757 5.060 1.00 23.51 H new ATOM 1545 N ASN A 101 -0.072 -0.934 4.057 1.00 41.22 N ATOM 1546 CA ASN A 101 -1.487 -0.901 4.406 1.00 11.42 C ATOM 1547 C ASN A 101 -2.180 0.295 3.758 1.00 32.11 C ATOM 1548 O ASN A 101 -2.719 1.162 4.446 1.00 32.31 O ATOM 1549 CB ASN A 101 -1.658 -0.840 5.926 1.00 60.34 C ATOM 1550 CG ASN A 101 -2.960 -1.467 6.386 1.00 62.32 C ATOM 1551 OD1 ASN A 101 -3.180 -2.666 6.214 1.00 42.24 O ATOM 1552 ND2 ASN A 101 -3.830 -0.657 6.976 1.00 41.10 N ATOM 0 H ASN A 101 0.188 -1.687 3.420 1.00 41.22 H new ATOM 0 HA ASN A 101 -1.949 -1.814 4.031 1.00 11.42 H new ATOM 0 HB2 ASN A 101 -0.823 -1.352 6.404 1.00 60.34 H new ATOM 0 HB3 ASN A 101 -1.623 0.200 6.252 1.00 60.34 H new ATOM 0 HD21 ASN A 101 -4.723 -1.022 7.308 1.00 41.10 H new ATOM 0 HD22 ASN A 101 -3.606 0.331 7.098 1.00 41.10 H new ATOM 1559 N LEU A 102 -2.161 0.334 2.430 1.00 21.54 N ATOM 1560 CA LEU A 102 -2.788 1.421 1.687 1.00 2.12 C ATOM 1561 C LEU A 102 -3.488 0.895 0.438 1.00 14.35 C ATOM 1562 O LEU A 102 -3.403 -0.290 0.120 1.00 51.14 O ATOM 1563 CB LEU A 102 -1.742 2.467 1.297 1.00 52.13 C ATOM 1564 CG LEU A 102 -1.791 3.786 2.068 1.00 12.15 C ATOM 1565 CD1 LEU A 102 -3.172 4.415 1.963 1.00 31.11 C ATOM 1566 CD2 LEU A 102 -1.413 3.567 3.526 1.00 64.43 C ATOM 0 H LEU A 102 -1.718 -0.375 1.846 1.00 21.54 H new ATOM 0 HA LEU A 102 -3.535 1.885 2.331 1.00 2.12 H new ATOM 0 HB2 LEU A 102 -0.753 2.029 1.429 1.00 52.13 H new ATOM 0 HB3 LEU A 102 -1.855 2.686 0.235 1.00 52.13 H new ATOM 0 HG LEU A 102 -1.067 4.470 1.625 1.00 12.15 H new ATOM 0 HD11 LEU A 102 -3.188 5.353 2.518 1.00 31.11 H new ATOM 0 HD12 LEU A 102 -3.405 4.609 0.916 1.00 31.11 H new ATOM 0 HD13 LEU A 102 -3.914 3.734 2.380 1.00 31.11 H new ATOM 0 HD21 LEU A 102 -1.453 4.517 4.059 1.00 64.43 H new ATOM 0 HD22 LEU A 102 -2.112 2.865 3.982 1.00 64.43 H new ATOM 0 HD23 LEU A 102 -0.403 3.162 3.583 1.00 64.43 H new ATOM 1578 N ASN A 103 -4.179 1.786 -0.265 1.00 40.13 N ATOM 1579 CA ASN A 103 -4.893 1.412 -1.481 1.00 44.31 C ATOM 1580 C ASN A 103 -3.976 0.662 -2.442 1.00 43.12 C ATOM 1581 O ASN A 103 -2.752 0.791 -2.400 1.00 1.14 O ATOM 1582 CB ASN A 103 -5.460 2.657 -2.167 1.00 33.41 C ATOM 1583 CG ASN A 103 -4.518 3.842 -2.088 1.00 23.40 C ATOM 1584 OD1 ASN A 103 -3.339 3.699 -2.683 1.00 13.11 O flip ATOM 1585 ND2 ASN A 103 -4.845 4.872 -1.500 1.00 1.31 N flip ATOM 0 H ASN A 103 -4.260 2.771 -0.014 1.00 40.13 H new ATOM 0 HA ASN A 103 -5.715 0.752 -1.202 1.00 44.31 H new ATOM 0 HB2 ASN A 103 -5.666 2.430 -3.213 1.00 33.41 H new ATOM 0 HB3 ASN A 103 -6.411 2.921 -1.705 1.00 33.41 H new ATOM 0 HD21 ASN A 103 -5.761 4.937 -1.057 1.00 1.31 H new ATOM 0 HD22 ASN A 103 -4.200 5.661 -1.455 1.00 1.31 H new ATOM 1592 N PRO A 104 -4.579 -0.141 -3.331 1.00 1.02 N ATOM 1593 CA PRO A 104 -3.836 -0.928 -4.320 1.00 42.21 C ATOM 1594 C PRO A 104 -3.199 -0.053 -5.395 1.00 33.44 C ATOM 1595 O PRO A 104 -3.828 0.260 -6.406 1.00 2.02 O ATOM 1596 CB PRO A 104 -4.908 -1.833 -4.932 1.00 13.43 C ATOM 1597 CG PRO A 104 -6.186 -1.093 -4.733 1.00 40.10 C ATOM 1598 CD PRO A 104 -6.034 -0.343 -3.438 1.00 23.50 C ATOM 0 HA PRO A 104 -3.007 -1.473 -3.869 1.00 42.21 H new ATOM 0 HB2 PRO A 104 -4.716 -2.015 -5.989 1.00 13.43 H new ATOM 0 HB3 PRO A 104 -4.933 -2.806 -4.441 1.00 13.43 H new ATOM 0 HG2 PRO A 104 -6.373 -0.409 -5.560 1.00 40.10 H new ATOM 0 HG3 PRO A 104 -7.032 -1.779 -4.689 1.00 40.10 H new ATOM 0 HD2 PRO A 104 -6.571 0.605 -3.457 1.00 23.50 H new ATOM 0 HD3 PRO A 104 -6.424 -0.913 -2.595 1.00 23.50 H new ATOM 1606 N ILE A 105 -1.949 0.337 -5.170 1.00 74.23 N ATOM 1607 CA ILE A 105 -1.227 1.173 -6.121 1.00 73.24 C ATOM 1608 C ILE A 105 -0.642 0.337 -7.255 1.00 15.44 C ATOM 1609 O ILE A 105 0.024 -0.670 -7.017 1.00 62.33 O ATOM 1610 CB ILE A 105 -0.091 1.953 -5.435 1.00 54.50 C ATOM 1611 CG1 ILE A 105 -0.668 3.029 -4.511 1.00 61.24 C ATOM 1612 CG2 ILE A 105 0.826 2.578 -6.475 1.00 74.14 C ATOM 1613 CD1 ILE A 105 -1.472 4.083 -5.239 1.00 4.34 C ATOM 0 H ILE A 105 -1.415 0.087 -4.337 1.00 74.23 H new ATOM 0 HA ILE A 105 -1.948 1.881 -6.529 1.00 73.24 H new ATOM 0 HB ILE A 105 0.495 1.258 -4.833 1.00 54.50 H new ATOM 0 HG12 ILE A 105 -1.302 2.552 -3.763 1.00 61.24 H new ATOM 0 HG13 ILE A 105 0.149 3.512 -3.975 1.00 61.24 H new ATOM 0 HG21 ILE A 105 1.624 3.126 -5.974 1.00 74.14 H new ATOM 0 HG22 ILE A 105 1.259 1.794 -7.097 1.00 74.14 H new ATOM 0 HG23 ILE A 105 0.253 3.262 -7.101 1.00 74.14 H new ATOM 0 HD11 ILE A 105 -1.850 4.812 -4.522 1.00 4.34 H new ATOM 0 HD12 ILE A 105 -0.837 4.586 -5.968 1.00 4.34 H new ATOM 0 HD13 ILE A 105 -2.310 3.611 -5.752 1.00 4.34 H new ATOM 1625 N TYR A 106 -0.896 0.763 -8.487 1.00 43.42 N ATOM 1626 CA TYR A 106 -0.394 0.055 -9.658 1.00 61.14 C ATOM 1627 C TYR A 106 -0.329 0.980 -10.869 1.00 53.14 C ATOM 1628 O TYR A 106 -1.276 1.065 -11.652 1.00 1.42 O ATOM 1629 CB TYR A 106 -1.284 -1.150 -9.971 1.00 64.21 C ATOM 1630 CG TYR A 106 -0.995 -2.356 -9.105 1.00 50.14 C ATOM 1631 CD1 TYR A 106 0.121 -3.150 -9.336 1.00 3.22 C ATOM 1632 CD2 TYR A 106 -1.839 -2.701 -8.057 1.00 14.24 C ATOM 1633 CE1 TYR A 106 0.388 -4.253 -8.548 1.00 32.10 C ATOM 1634 CE2 TYR A 106 -1.580 -3.802 -7.263 1.00 40.43 C ATOM 1635 CZ TYR A 106 -0.466 -4.575 -7.513 1.00 43.43 C ATOM 1636 OH TYR A 106 -0.202 -5.672 -6.725 1.00 15.22 O ATOM 0 H TYR A 106 -1.446 1.595 -8.701 1.00 43.42 H new ATOM 0 HA TYR A 106 0.615 -0.293 -9.435 1.00 61.14 H new ATOM 0 HB2 TYR A 106 -2.328 -0.863 -9.844 1.00 64.21 H new ATOM 0 HB3 TYR A 106 -1.154 -1.425 -11.018 1.00 64.21 H new ATOM 0 HD1 TYR A 106 0.791 -2.901 -10.145 1.00 3.22 H new ATOM 0 HD2 TYR A 106 -2.713 -2.098 -7.859 1.00 14.24 H new ATOM 0 HE1 TYR A 106 1.260 -4.860 -8.741 1.00 32.10 H new ATOM 0 HE2 TYR A 106 -2.246 -4.055 -6.452 1.00 40.43 H new ATOM 0 HH TYR A 106 -0.899 -5.759 -6.041 1.00 15.22 H new ATOM 1646 N ALA A 107 0.795 1.673 -11.017 1.00 63.30 N ATOM 1647 CA ALA A 107 0.987 2.590 -12.133 1.00 54.40 C ATOM 1648 C ALA A 107 2.366 3.237 -12.082 1.00 44.35 C ATOM 1649 O ALA A 107 2.546 4.293 -11.474 1.00 54.33 O ATOM 1650 CB ALA A 107 -0.099 3.657 -12.131 1.00 13.41 C ATOM 0 H ALA A 107 1.587 1.616 -10.377 1.00 63.30 H new ATOM 0 HA ALA A 107 0.918 2.017 -13.058 1.00 54.40 H new ATOM 0 HB1 ALA A 107 0.056 4.336 -12.970 1.00 13.41 H new ATOM 0 HB2 ALA A 107 -1.076 3.182 -12.224 1.00 13.41 H new ATOM 0 HB3 ALA A 107 -0.056 4.218 -11.198 1.00 13.41 H new ATOM 1656 N ASP A 108 3.338 2.597 -12.723 1.00 1.12 N ATOM 1657 CA ASP A 108 4.703 3.111 -12.750 1.00 54.13 C ATOM 1658 C ASP A 108 5.256 3.109 -14.172 1.00 31.50 C ATOM 1659 O ASP A 108 4.880 2.273 -14.994 1.00 10.14 O ATOM 1660 CB ASP A 108 5.603 2.276 -11.838 1.00 41.53 C ATOM 1661 CG ASP A 108 7.020 2.813 -11.776 1.00 24.33 C ATOM 1662 OD1 ASP A 108 7.191 3.995 -11.413 1.00 21.42 O ATOM 1663 OD2 ASP A 108 7.958 2.050 -12.089 1.00 75.24 O ATOM 0 H ASP A 108 3.206 1.722 -13.231 1.00 1.12 H new ATOM 0 HA ASP A 108 4.686 4.139 -12.388 1.00 54.13 H new ATOM 0 HB2 ASP A 108 5.180 2.257 -10.833 1.00 41.53 H new ATOM 0 HB3 ASP A 108 5.623 1.246 -12.195 1.00 41.53 H new ATOM 1668 N GLY A 109 6.151 4.050 -14.456 1.00 73.44 N ATOM 1669 CA GLY A 109 6.740 4.139 -15.780 1.00 20.42 C ATOM 1670 C GLY A 109 7.728 5.282 -15.898 1.00 65.53 C ATOM 1671 O GLY A 109 7.712 6.026 -16.878 1.00 2.41 O ATOM 0 H GLY A 109 6.479 4.752 -13.793 1.00 73.44 H new ATOM 0 HA2 GLY A 109 7.244 3.201 -16.014 1.00 20.42 H new ATOM 0 HA3 GLY A 109 5.949 4.269 -16.519 1.00 20.42 H new ATOM 1675 N SER A 110 8.592 5.422 -14.896 1.00 75.04 N ATOM 1676 CA SER A 110 9.588 6.486 -14.891 1.00 22.41 C ATOM 1677 C SER A 110 10.926 5.981 -15.424 1.00 75.05 C ATOM 1678 O SER A 110 11.641 6.701 -16.121 1.00 50.20 O ATOM 1679 CB SER A 110 9.767 7.038 -13.475 1.00 42.24 C ATOM 1680 OG SER A 110 8.911 8.144 -13.247 1.00 43.31 O ATOM 0 H SER A 110 8.621 4.812 -14.079 1.00 75.04 H new ATOM 0 HA SER A 110 9.234 7.284 -15.544 1.00 22.41 H new ATOM 0 HB2 SER A 110 9.556 6.255 -12.747 1.00 42.24 H new ATOM 0 HB3 SER A 110 10.804 7.340 -13.327 1.00 42.24 H new ATOM 0 HG SER A 110 9.043 8.477 -12.335 1.00 43.31 H new ATOM 1686 N HIS A 111 11.256 4.736 -15.093 1.00 14.04 N ATOM 1687 CA HIS A 111 12.507 4.133 -15.539 1.00 53.32 C ATOM 1688 C HIS A 111 13.706 4.883 -14.967 1.00 43.23 C ATOM 1689 O HIS A 111 13.550 5.899 -14.289 1.00 52.52 O ATOM 1690 CB HIS A 111 12.577 4.124 -17.066 1.00 73.21 C ATOM 1691 CG HIS A 111 12.719 2.752 -17.651 1.00 13.12 C ATOM 1692 ND1 HIS A 111 11.845 2.239 -18.586 1.00 23.43 N ATOM 1693 CD2 HIS A 111 13.640 1.786 -17.429 1.00 20.54 C ATOM 1694 CE1 HIS A 111 12.222 1.015 -18.913 1.00 13.31 C ATOM 1695 NE2 HIS A 111 13.309 0.716 -18.225 1.00 1.40 N ATOM 0 H HIS A 111 10.675 4.126 -14.518 1.00 14.04 H new ATOM 0 HA HIS A 111 12.537 3.106 -15.175 1.00 53.32 H new ATOM 0 HB2 HIS A 111 11.676 4.589 -17.466 1.00 73.21 H new ATOM 0 HB3 HIS A 111 13.420 4.736 -17.387 1.00 73.21 H new ATOM 0 HD2 HIS A 111 14.479 1.845 -16.752 1.00 20.54 H new ATOM 0 HE1 HIS A 111 11.726 0.369 -19.622 1.00 13.31 H new ATOM 0 HE2 HIS A 111 13.820 -0.166 -18.276 1.00 1.40 H new ATOM 1703 N HIS A 112 14.903 4.376 -15.245 1.00 53.23 N ATOM 1704 CA HIS A 112 16.129 4.998 -14.759 1.00 14.33 C ATOM 1705 C HIS A 112 17.244 4.885 -15.794 1.00 72.41 C ATOM 1706 O HIS A 112 17.949 3.878 -15.854 1.00 64.31 O ATOM 1707 CB HIS A 112 16.569 4.350 -13.446 1.00 31.24 C ATOM 1708 CG HIS A 112 15.785 4.814 -12.257 1.00 22.51 C ATOM 1709 ND1 HIS A 112 14.866 4.020 -11.605 1.00 34.41 N ATOM 1710 CD2 HIS A 112 15.790 5.998 -11.601 1.00 24.15 C ATOM 1711 CE1 HIS A 112 14.337 4.696 -10.601 1.00 23.11 C ATOM 1712 NE2 HIS A 112 14.882 5.899 -10.576 1.00 33.23 N ATOM 0 H HIS A 112 15.050 3.536 -15.804 1.00 53.23 H new ATOM 0 HA HIS A 112 15.926 6.055 -14.584 1.00 14.33 H new ATOM 0 HB2 HIS A 112 16.473 3.268 -13.534 1.00 31.24 H new ATOM 0 HB3 HIS A 112 17.625 4.564 -13.281 1.00 31.24 H new ATOM 0 HD2 HIS A 112 16.395 6.860 -11.839 1.00 24.15 H new ATOM 0 HE1 HIS A 112 13.587 4.328 -9.917 1.00 23.11 H new ATOM 0 HE2 HIS A 112 14.664 6.635 -9.904 1.00 33.23 H new ATOM 1720 N HIS A 113 17.396 5.925 -16.608 1.00 44.13 N ATOM 1721 CA HIS A 113 18.425 5.942 -17.642 1.00 62.00 C ATOM 1722 C HIS A 113 18.596 7.345 -18.217 1.00 35.25 C ATOM 1723 O HIS A 113 17.941 8.291 -17.775 1.00 53.03 O ATOM 1724 CB HIS A 113 18.072 4.960 -18.759 1.00 40.54 C ATOM 1725 CG HIS A 113 19.235 4.141 -19.228 1.00 42.23 C ATOM 1726 ND1 HIS A 113 19.462 3.847 -20.556 1.00 53.21 N ATOM 1727 CD2 HIS A 113 20.240 3.555 -18.537 1.00 62.20 C ATOM 1728 CE1 HIS A 113 20.556 3.113 -20.661 1.00 14.05 C ATOM 1729 NE2 HIS A 113 21.047 2.922 -19.450 1.00 42.42 N ATOM 0 H HIS A 113 16.820 6.766 -16.572 1.00 44.13 H new ATOM 0 HA HIS A 113 19.367 5.639 -17.186 1.00 62.00 H new ATOM 0 HB2 HIS A 113 17.286 4.292 -18.408 1.00 40.54 H new ATOM 0 HB3 HIS A 113 17.665 5.515 -19.604 1.00 40.54 H new ATOM 0 HD2 HIS A 113 20.381 3.580 -17.467 1.00 62.20 H new ATOM 0 HE1 HIS A 113 20.977 2.734 -21.581 1.00 14.05 H new ATOM 0 HE2 HIS A 113 21.889 2.391 -19.229 1.00 42.42 H new ATOM 1737 N HIS A 114 19.479 7.472 -19.201 1.00 54.41 N ATOM 1738 CA HIS A 114 19.735 8.761 -19.836 1.00 31.43 C ATOM 1739 C HIS A 114 18.433 9.407 -20.301 1.00 24.14 C ATOM 1740 O HIS A 114 17.427 8.724 -20.501 1.00 43.45 O ATOM 1741 CB HIS A 114 20.685 8.589 -21.022 1.00 15.04 C ATOM 1742 CG HIS A 114 20.199 7.602 -22.039 1.00 24.22 C ATOM 1743 ND1 HIS A 114 19.180 7.673 -22.926 1.00 30.43 N flip ATOM 1744 CD2 HIS A 114 20.782 6.366 -22.225 1.00 50.03 C flip ATOM 1745 CE1 HIS A 114 19.166 6.492 -23.627 1.00 32.54 C flip ATOM 1746 NE2 HIS A 114 20.143 5.721 -23.185 1.00 32.14 N flip ATOM 0 H HIS A 114 20.029 6.700 -19.577 1.00 54.41 H new ATOM 0 HA HIS A 114 20.201 9.415 -19.099 1.00 31.43 H new ATOM 0 HB2 HIS A 114 20.829 9.555 -21.505 1.00 15.04 H new ATOM 0 HB3 HIS A 114 21.659 8.269 -20.653 1.00 15.04 H new ATOM 0 HD2 HIS A 114 21.628 5.985 -21.673 1.00 50.03 H new ATOM 0 HE1 HIS A 114 18.470 6.236 -24.412 1.00 32.54 H new ATOM 0 HE2 HIS A 114 20.366 4.786 -23.527 1.00 32.14 H new ATOM 1754 N HIS A 115 18.458 10.725 -20.468 1.00 44.24 N ATOM 1755 CA HIS A 115 17.279 11.463 -20.909 1.00 24.51 C ATOM 1756 C HIS A 115 16.777 10.933 -22.249 1.00 30.32 C ATOM 1757 O HIS A 115 17.497 10.958 -23.247 1.00 14.13 O ATOM 1758 CB HIS A 115 17.599 12.954 -21.024 1.00 31.53 C ATOM 1759 CG HIS A 115 18.721 13.254 -21.968 1.00 55.41 C ATOM 1760 ND1 HIS A 115 20.048 13.221 -21.595 1.00 12.23 N ATOM 1761 CD2 HIS A 115 18.708 13.595 -23.279 1.00 21.05 C ATOM 1762 CE1 HIS A 115 20.803 13.530 -22.635 1.00 1.02 C ATOM 1763 NE2 HIS A 115 20.015 13.760 -23.669 1.00 12.13 N ATOM 0 H HIS A 115 19.281 11.304 -20.305 1.00 44.24 H new ATOM 0 HA HIS A 115 16.494 11.324 -20.166 1.00 24.51 H new ATOM 0 HB2 HIS A 115 16.706 13.485 -21.354 1.00 31.53 H new ATOM 0 HB3 HIS A 115 17.853 13.340 -20.037 1.00 31.53 H new ATOM 0 HD2 HIS A 115 17.834 13.715 -23.901 1.00 21.05 H new ATOM 0 HE1 HIS A 115 21.882 13.585 -22.638 1.00 1.02 H new ATOM 0 HE2 HIS A 115 20.326 14.018 -24.605 1.00 12.13 H new ATOM 1771 N HIS A 116 15.537 10.453 -22.262 1.00 64.21 N ATOM 1772 CA HIS A 116 14.938 9.918 -23.479 1.00 72.40 C ATOM 1773 C HIS A 116 13.419 10.049 -23.440 1.00 30.54 C ATOM 1774 O HIS A 116 12.862 10.834 -24.205 1.00 50.55 O ATOM 1775 CB HIS A 116 15.330 8.451 -23.663 1.00 63.31 C ATOM 1776 CG HIS A 116 14.989 7.588 -22.488 1.00 70.01 C ATOM 1777 ND1 HIS A 116 13.826 7.429 -21.814 1.00 73.12 N flip ATOM 1778 CD2 HIS A 116 15.902 6.758 -21.873 1.00 14.03 C flip ATOM 1779 CE1 HIS A 116 14.054 6.516 -20.816 1.00 34.44 C flip ATOM 1780 NE2 HIS A 116 15.316 6.125 -20.873 1.00 24.12 N flip ATOM 0 H HIS A 116 14.928 10.424 -21.444 1.00 64.21 H new ATOM 0 HA HIS A 116 15.313 10.496 -24.324 1.00 72.40 H new ATOM 0 HB2 HIS A 116 14.831 8.058 -24.549 1.00 63.31 H new ATOM 0 HB3 HIS A 116 16.402 8.391 -23.849 1.00 63.31 H new ATOM 0 HD1 HIS A 116 12.943 7.901 -22.012 1.00 73.12 H new ATOM 0 HD2 HIS A 116 16.936 6.643 -22.164 1.00 14.03 H new ATOM 0 HE1 HIS A 116 13.322 6.172 -20.100 1.00 34.44 H new TER 1788 HIS A 116 HETATM 1789 C1 B6D A 117 14.907 36.626 4.770 1.00 13.54 C HETATM 1790 N2 B6D A 117 12.710 37.542 4.147 1.00 23.24 N HETATM 1791 C3 B6D A 117 14.755 38.912 3.720 1.00 24.22 C HETATM 1792 C4 B6D A 117 16.147 39.249 4.289 1.00 41.30 C HETATM 1793 C5 B6D A 117 16.991 37.971 4.474 1.00 11.21 C HETATM 1794 C6 B6D A 117 18.312 38.202 5.206 1.00 43.33 C HETATM 1795 C7 B6D A 117 12.444 37.069 2.884 1.00 61.24 C HETATM 1796 C8 B6D A 117 11.003 36.554 2.647 1.00 1.43 C HETATM 1797 C9 B6D A 117 18.342 42.040 2.760 1.00 74.31 C HETATM 1798 C2 B6D A 117 14.046 37.898 4.648 1.00 10.42 C HETATM 1799 O7 B6D A 117 13.271 37.018 1.991 1.00 25.34 O HETATM 1800 N4 B6D A 117 16.851 40.192 3.409 1.00 23.10 N HETATM 1801 C10 B6D A 117 17.827 41.060 3.832 1.00 72.32 C HETATM 1802 O10 B6D A 117 18.288 41.066 4.961 1.00 40.33 O HETATM 1803 O5 B6D A 117 16.235 36.999 5.299 1.00 75.34 O HETATM 1804 O3 B6D A 117 13.965 40.154 3.653 1.00 73.04 O HETATM 0 HN4 B6D A 117 16.598 40.202 2.421 1.00 23.10 H new HETATM 0 HN2 B6D A 117 11.922 37.654 4.784 1.00 23.24 H new HETATM 0 H9B B6D A 117 18.766 41.479 1.927 1.00 74.31 H new HETATM 0 H9A B6D A 117 17.516 42.653 2.401 1.00 74.31 H new HETATM 0 H9 B6D A 117 19.109 42.682 3.193 1.00 74.31 H new HETATM 0 H8B B6D A 117 10.794 35.731 3.330 1.00 1.43 H new HETATM 0 H8A B6D A 117 10.294 37.362 2.825 1.00 1.43 H new HETATM 0 H8 B6D A 117 10.906 36.205 1.619 1.00 1.43 H new HETATM 0 H6B B6D A 117 18.920 38.911 4.644 1.00 43.33 H new HETATM 0 H6A B6D A 117 18.112 38.603 6.200 1.00 43.33 H new HETATM 0 H6 B6D A 117 18.848 37.257 5.297 1.00 43.33 H new HETATM 0 H5 B6D A 117 17.203 37.615 3.466 1.00 11.21 H new HETATM 0 H4 B6D A 117 16.006 39.715 5.264 1.00 41.30 H new HETATM 0 H3 B6D A 117 14.853 38.475 2.726 1.00 24.22 H new HETATM 0 H2 B6D A 117 13.923 38.365 5.625 1.00 10.42 H new HETATM 1821 C1 A2G A 118 13.877 40.781 2.308 1.00 21.21 C HETATM 1822 C2 A2G A 118 13.475 42.256 2.462 1.00 32.11 C HETATM 1823 C3 A2G A 118 12.110 42.311 3.175 1.00 53.11 C HETATM 1824 C4 A2G A 118 11.002 41.571 2.306 1.00 33.34 C HETATM 1825 C5 A2G A 118 11.465 40.170 1.966 1.00 2.32 C HETATM 1826 C6 A2G A 118 10.544 39.335 1.066 1.00 73.41 C HETATM 1827 C7 A2G A 118 14.585 44.392 3.139 1.00 22.23 C HETATM 1828 C8 A2G A 118 15.783 45.010 3.885 1.00 63.41 C HETATM 1829 O A2G A 118 12.861 40.130 1.448 1.00 42.34 O HETATM 1830 O3 A2G A 118 11.737 43.663 3.466 1.00 72.45 O HETATM 1831 O4 A2G A 118 10.825 42.317 1.047 1.00 31.24 O HETATM 1832 O6 A2G A 118 9.280 39.113 1.700 1.00 2.00 O HETATM 1833 O7 A2G A 118 13.753 45.102 2.600 1.00 63.14 O HETATM 1834 N2 A2G A 118 14.522 43.018 3.154 1.00 2.25 N HETATM 0 HO3 A2G A 118 12.215 44.271 2.864 1.00 72.45 H new HETATM 0 HN2 A2G A 118 15.236 42.504 3.670 1.00 2.25 H new HETATM 0 H8B A2G A 118 15.749 44.716 4.934 1.00 63.41 H new HETATM 0 H8A A2G A 118 16.712 44.655 3.438 1.00 63.41 H new HETATM 0 H8 A2G A 118 15.736 46.096 3.811 1.00 63.41 H new HETATM 0 H6 A2G A 118 11.017 38.379 0.842 1.00 73.41 H new HETATM 0 H5 A2G A 118 11.422 39.683 2.940 1.00 2.32 H new HETATM 0 H4 A2G A 118 10.070 41.522 2.869 1.00 33.34 H new HETATM 0 H3 A2G A 118 12.194 41.787 4.127 1.00 53.11 H new HETATM 0 H2 A2G A 118 13.371 42.730 1.486 1.00 32.11 H new HETATM 0 H15 A2G A 118 8.775 38.441 1.196 1.00 2.00 H new HETATM 0 H14 A2G A 118 10.394 39.847 0.116 1.00 73.41 H new HETATM 1848 C1 A2G A 119 9.467 42.243 0.449 1.00 40.44 C HETATM 1849 C2 A2G A 119 9.565 42.500 -1.064 1.00 3.24 C HETATM 1850 C3 A2G A 119 10.175 43.899 -1.276 1.00 12.31 C HETATM 1851 C4 A2G A 119 9.242 45.014 -0.632 1.00 34.24 C HETATM 1852 C5 A2G A 119 8.960 44.675 0.817 1.00 20.34 C HETATM 1853 C6 A2G A 119 8.009 45.611 1.576 1.00 1.14 C HETATM 1854 C7 A2G A 119 9.986 40.940 -2.972 1.00 31.43 C HETATM 1855 C8 A2G A 119 10.954 39.893 -3.554 1.00 2.44 C HETATM 1856 O A2G A 119 8.545 43.257 1.013 1.00 3.33 O HETATM 1857 O3 A2G A 119 10.415 44.150 -2.665 1.00 31.12 O HETATM 1858 O4 A2G A 119 7.960 45.023 -1.360 1.00 12.02 O HETATM 1859 O6 A2G A 119 8.216 45.508 2.988 1.00 3.13 O HETATM 1860 O7 A2G A 119 9.008 41.303 -3.603 1.00 12.21 O HETATM 1861 N2 A2G A 119 10.319 41.431 -1.732 1.00 40.14 N HETATM 0 HO3 A2G A 119 10.801 45.044 -2.774 1.00 31.12 H new HETATM 0 HN2 A2G A 119 11.128 41.034 -1.253 1.00 40.14 H new HETATM 0 H8B A2G A 119 11.947 40.332 -3.654 1.00 2.44 H new HETATM 0 H8A A2G A 119 11.003 39.032 -2.887 1.00 2.44 H new HETATM 0 H8 A2G A 119 10.598 39.573 -4.533 1.00 2.44 H new HETATM 0 H6 A2G A 119 6.976 45.360 1.336 1.00 1.14 H new HETATM 0 H5 A2G A 119 9.938 44.837 1.271 1.00 20.34 H new HETATM 0 H4 A2G A 119 9.737 45.983 -0.693 1.00 34.24 H new HETATM 0 H3 A2G A 119 11.140 43.936 -0.770 1.00 12.31 H new HETATM 0 H2 A2G A 119 8.576 42.485 -1.522 1.00 3.24 H new HETATM 0 H15 A2G A 119 7.602 46.113 3.454 1.00 3.13 H new HETATM 0 H14 A2G A 119 8.170 46.640 1.254 1.00 1.14 H new HETATM 1875 C1 A2G A 120 7.459 46.365 -1.754 1.00 4.13 C HETATM 1876 C2 A2G A 120 5.927 46.326 -1.853 1.00 72.43 C HETATM 1877 C3 A2G A 120 5.540 45.272 -2.911 1.00 2.44 C HETATM 1878 C4 A2G A 120 6.130 45.672 -4.333 1.00 1.45 C HETATM 1879 C5 A2G A 120 7.621 45.918 -4.220 1.00 71.32 C HETATM 1880 C6 A2G A 120 8.344 46.386 -5.490 1.00 71.23 C HETATM 1881 C7 A2G A 120 5.301 47.014 0.468 1.00 45.43 C HETATM 1882 C8 A2G A 120 4.626 46.569 1.777 1.00 74.42 C HETATM 1883 O A2G A 120 7.981 46.797 -3.072 1.00 71.21 O HETATM 1884 O3 A2G A 120 4.120 45.093 -2.960 1.00 10.32 O HETATM 1885 O4 A2G A 120 5.489 46.927 -4.765 1.00 72.13 O HETATM 1886 O6 A2G A 120 9.755 46.181 -5.375 1.00 20.53 O HETATM 1887 O7 A2G A 120 5.762 48.138 0.355 1.00 4.41 O HETATM 1888 N2 A2G A 120 5.319 46.079 -0.539 1.00 13.03 N HETATM 0 HN2 A2G A 120 4.890 45.170 -0.366 1.00 13.03 H new HETATM 0 H8B A2G A 120 3.585 46.311 1.580 1.00 74.42 H new HETATM 0 H8A A2G A 120 5.146 45.699 2.177 1.00 74.42 H new HETATM 0 H8 A2G A 120 4.668 47.382 2.502 1.00 74.42 H new HETATM 0 H6 A2G A 120 8.138 47.442 -5.663 1.00 71.23 H new HETATM 0 H5 A2G A 120 7.994 44.910 -4.039 1.00 71.32 H new HETATM 0 H4 A2G A 120 5.942 44.868 -5.045 1.00 1.45 H new HETATM 0 H3 A2G A 120 5.977 44.315 -2.625 1.00 2.44 H new HETATM 0 H2 A2G A 120 5.538 47.293 -2.173 1.00 72.43 H new HETATM 0 H15 A2G A 120 10.198 46.484 -6.195 1.00 20.53 H new HETATM 0 H14 A2G A 120 7.962 45.841 -6.353 1.00 71.23 H new HETATM 1901 C1 A2G A 121 4.986 46.936 -6.163 1.00 44.10 C HETATM 1902 C2 A2G A 121 4.939 48.384 -6.674 1.00 40.44 C HETATM 1903 C3 A2G A 121 3.998 49.189 -5.756 1.00 61.42 C HETATM 1904 C4 A2G A 121 2.527 48.585 -5.805 1.00 33.10 C HETATM 1905 C5 A2G A 121 2.570 47.102 -5.501 1.00 73.23 C HETATM 1906 C6 A2G A 121 1.239 46.340 -5.578 1.00 11.15 C HETATM 1907 C7 A2G A 121 6.967 49.095 -7.953 1.00 32.32 C HETATM 1908 C8 A2G A 121 8.399 49.648 -7.839 1.00 4.31 C HETATM 1909 O A2G A 121 3.617 46.379 -6.275 1.00 44.20 O HETATM 1910 O3 A2G A 121 4.009 50.578 -6.100 1.00 64.15 O HETATM 1911 O4 A2G A 121 1.999 48.761 -7.171 1.00 21.42 O HETATM 1912 O6 A2G A 121 0.188 47.091 -4.960 1.00 42.41 O HETATM 1913 O7 A2G A 121 6.487 48.826 -9.042 1.00 10.13 O HETATM 1914 N2 A2G A 121 6.289 48.957 -6.766 1.00 24.53 N HETATM 0 HO3 A2G A 121 3.403 51.067 -5.505 1.00 64.15 H new HETATM 0 HN2 A2G A 121 6.744 49.267 -5.908 1.00 24.53 H new HETATM 0 H8B A2G A 121 8.371 50.638 -7.385 1.00 4.31 H new HETATM 0 H8A A2G A 121 8.998 48.981 -7.219 1.00 4.31 H new HETATM 0 H8 A2G A 121 8.843 49.717 -8.832 1.00 4.31 H new HETATM 0 H6 A2G A 121 1.339 45.373 -5.086 1.00 11.15 H new HETATM 0 H5 A2G A 121 2.834 47.105 -4.443 1.00 73.23 H new HETATM 0 H4 A2G A 121 1.899 49.092 -5.072 1.00 33.10 H new HETATM 0 H3 A2G A 121 4.360 49.108 -4.731 1.00 61.42 H new HETATM 0 H2 A2G A 121 4.542 48.420 -7.688 1.00 40.44 H new HETATM 0 H15 A2G A 121 -0.652 46.590 -5.021 1.00 42.41 H new HETATM 0 H14 A2G A 121 0.987 46.143 -6.620 1.00 11.15 H new HETATM 1928 C1 A2G A 122 0.609 49.278 -7.254 1.00 54.54 C HETATM 1929 C2 A2G A 122 -0.012 48.847 -8.591 1.00 71.45 C HETATM 1930 C3 A2G A 122 0.849 49.422 -9.731 1.00 40.41 C HETATM 1931 C4 A2G A 122 0.861 51.012 -9.667 1.00 74.03 C HETATM 1932 C5 A2G A 122 1.279 51.468 -8.286 1.00 1.31 C HETATM 1933 C6 A2G A 122 1.275 52.981 -8.024 1.00 73.11 C HETATM 1934 C7 A2G A 122 -1.350 46.765 -8.955 1.00 3.31 C HETATM 1935 C8 A2G A 122 -1.327 45.226 -8.904 1.00 3.23 C HETATM 1936 O A2G A 122 0.554 50.758 -7.195 1.00 0.44 O HETATM 1937 O3 A2G A 122 0.398 48.949 -11.005 1.00 74.02 O HETATM 1938 O4 A2G A 122 -0.509 51.497 -9.918 1.00 45.24 O HETATM 1939 O6 A2G A 122 0.430 53.300 -6.913 1.00 4.11 O HETATM 1940 O7 A2G A 122 -2.367 47.364 -9.264 1.00 73.40 O HETATM 1941 N2 A2G A 122 -0.161 47.387 -8.656 1.00 73.35 N HETATM 0 HO4 A2G A 122 -1.002 51.536 -9.072 1.00 45.24 H new HETATM 0 HO3 A2G A 122 0.959 49.329 -11.713 1.00 74.02 H new HETATM 0 HN2 A2G A 122 0.657 46.807 -8.470 1.00 73.35 H new HETATM 0 H8B A2G A 122 -0.596 44.849 -9.619 1.00 3.23 H new HETATM 0 H8A A2G A 122 -1.054 44.899 -7.900 1.00 3.23 H new HETATM 0 H8 A2G A 122 -2.314 44.839 -9.156 1.00 3.23 H new HETATM 0 H6 A2G A 122 0.929 53.508 -8.913 1.00 73.11 H new HETATM 0 H5 A2G A 122 2.331 51.183 -8.273 1.00 1.31 H new HETATM 0 H4 A2G A 122 1.558 51.402 -10.409 1.00 74.03 H new HETATM 0 H3 A2G A 122 1.873 49.073 -9.602 1.00 40.41 H new HETATM 0 H2 A2G A 122 -1.022 49.245 -8.692 1.00 71.45 H new HETATM 0 H15 A2G A 122 0.089 52.473 -6.513 1.00 4.11 H new HETATM 0 H14 A2G A 122 2.291 53.323 -7.825 1.00 73.11 H new HETATM 1955 C2 BGC A 123 2.155 43.652 -3.191 1.00 34.55 C HETATM 1956 C3 BGC A 123 1.430 42.577 -4.027 1.00 31.13 C HETATM 1957 C4 BGC A 123 1.750 42.674 -5.530 1.00 3.11 C HETATM 1958 C5 BGC A 123 3.269 42.736 -5.769 1.00 73.21 C HETATM 1959 C6 BGC A 123 3.695 42.879 -7.237 1.00 73.12 C HETATM 1960 C1 BGC A 123 3.633 43.852 -3.581 1.00 3.23 C HETATM 1961 O2 BGC A 123 2.119 43.245 -1.812 1.00 30.24 O HETATM 1962 O3 BGC A 123 0.013 42.767 -3.856 1.00 53.23 O HETATM 1963 O4 BGC A 123 1.241 41.495 -6.179 1.00 10.15 O HETATM 1964 O5 BGC A 123 3.764 43.927 -5.050 1.00 11.45 O HETATM 1965 O6 BGC A 123 4.562 41.785 -7.572 1.00 72.21 O HETATM 0 H6C2 BGC A 123 2.820 42.880 -7.886 1.00 73.12 H new HETATM 0 H6C1 BGC A 123 4.208 43.829 -7.391 1.00 73.12 H new HETATM 0 HD BGC A 123 1.140 41.668 -7.138 1.00 10.15 H new HETATM 0 HC BGC A 123 -0.473 42.096 -4.379 1.00 53.23 H new HETATM 0 HB BGC A 123 2.576 43.914 -1.261 1.00 30.24 H new HETATM 0 H6 BGC A 123 4.840 41.863 -8.508 1.00 72.21 H new HETATM 0 H5 BGC A 123 3.682 41.788 -5.423 1.00 73.21 H new HETATM 0 H4 BGC A 123 1.292 43.580 -5.928 1.00 3.11 H new HETATM 0 H3 BGC A 123 1.766 41.599 -3.681 1.00 31.13 H new HETATM 0 H2 BGC A 123 1.640 44.595 -3.373 1.00 34.55 H new