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 118 A2G O3 : rot 180:sc= -0.0641 USER MOD Set 2.2: A 119 A2G O6 : rot 180:sc= 0 USER MOD Set 3.1: A 34 GLN :FLIP amide:sc= -1.97 F(o=-5.3,f=-2) USER MOD Set 3.2: A 68 THR OG1 : rot 70:sc= -0.0328 USER MOD Single : A 1 ASP N :NH3+ -169:sc= 0 (180deg=-0.0669) USER MOD Single : A 5 LYS NZ :NH3+ 155:sc= -0.856 (180deg=-1.35) USER MOD Single : A 7 GLN : amide:sc= -0.0718 X(o=-0.072,f=0) USER MOD Single : A 9 SER OG : rot 34:sc= 0.357 USER MOD Single : A 14 ASN : amide:sc= -1.12 X(o=-1.1,f=-1.5) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 :FLIP amide:sc= -1.93! C(o=-2.6!,f=-1.9!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0105 USER MOD Single : A 36 GLN : amide:sc= -0.316 K(o=-0.32,f=-0.82) USER MOD Single : A 38 SER OG : rot 68:sc= 0.694 USER MOD Single : A 39 LYS NZ :NH3+ 169:sc= -0.0272 (180deg=-0.139) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.146 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,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 -130:sc= -0.0905 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.339 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.309 F(o=-1.1,f=-0.31) USER MOD Single : A 71 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0228) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,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 180:sc= -0.78 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -120:sc= 0.889 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0289 USER MOD Single : A 101 ASN : amide:sc= -0.197 K(o=-0.2,f=-1.7!) USER MOD Single : A 103 ASN :FLIP amide:sc= 0.0362 F(o=-0.71,f=0.036) 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=-0.00294 X(o=-0.0029,f=0) USER MOD Single : A 112 HIS : no HD1:sc= -3.34! C(o=-3.3!,f=-5.2!) USER MOD Single : A 113 HIS : no HD1:sc= -0.635 K(o=-0.63,f=-1.1) USER MOD Single : A 114 HIS : no HD1:sc= -0.0516 X(o=-0.052,f=-0.34) USER MOD Single : A 115 HIS : no HD1:sc= -0.255 X(o=-0.26,f=-0.015) USER MOD Single : A 116 HIS : no HD1:sc= -0.0545 X(o=-0.055,f=0) USER MOD Single : A 118 A2G O6 : rot -21:sc= -1.25! 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 180:sc= 0 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 170:sc= 0 USER MOD Single : A 123 BGC O6 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 0.834 -0.271 -1.218 1.00 2.32 N ATOM 2 CA ASP A 1 2.235 -0.055 -0.875 1.00 43.11 C ATOM 3 C ASP A 1 2.724 1.289 -1.406 1.00 55.21 C ATOM 4 O ASP A 1 2.857 1.480 -2.614 1.00 52.45 O ATOM 5 CB ASP A 1 3.101 -1.184 -1.438 1.00 60.25 C ATOM 6 CG ASP A 1 2.721 -2.539 -0.875 1.00 64.03 C ATOM 7 OD1 ASP A 1 2.731 -2.691 0.365 1.00 51.41 O ATOM 8 OD2 ASP A 1 2.415 -3.449 -1.674 1.00 72.10 O ATOM 0 H1 ASP A 1 0.471 -1.093 -0.695 1.00 2.32 H new ATOM 0 H2 ASP A 1 0.281 0.572 -0.965 1.00 2.32 H new ATOM 0 H3 ASP A 1 0.750 -0.446 -2.240 1.00 2.32 H new ATOM 0 HA ASP A 1 2.320 -0.049 0.212 1.00 43.11 H new ATOM 0 HB2 ASP A 1 3.005 -1.205 -2.524 1.00 60.25 H new ATOM 0 HB3 ASP A 1 4.148 -0.981 -1.214 1.00 60.25 H new ATOM 13 N VAL A 2 2.989 2.219 -0.494 1.00 30.22 N ATOM 14 CA VAL A 2 3.462 3.546 -0.869 1.00 43.04 C ATOM 15 C VAL A 2 4.690 3.941 -0.058 1.00 42.20 C ATOM 16 O VAL A 2 4.882 3.474 1.065 1.00 22.32 O ATOM 17 CB VAL A 2 2.366 4.610 -0.672 1.00 32.03 C ATOM 18 CG1 VAL A 2 2.782 5.930 -1.303 1.00 74.34 C ATOM 19 CG2 VAL A 2 1.044 4.126 -1.249 1.00 62.03 C ATOM 0 H VAL A 2 2.884 2.078 0.511 1.00 30.22 H new ATOM 0 HA VAL A 2 3.727 3.500 -1.925 1.00 43.04 H new ATOM 0 HB VAL A 2 2.231 4.774 0.397 1.00 32.03 H new ATOM 0 HG11 VAL A 2 1.995 6.669 -1.153 1.00 74.34 H new ATOM 0 HG12 VAL A 2 3.703 6.282 -0.838 1.00 74.34 H new ATOM 0 HG13 VAL A 2 2.947 5.787 -2.371 1.00 74.34 H new ATOM 0 HG21 VAL A 2 0.281 4.890 -1.101 1.00 62.03 H new ATOM 0 HG22 VAL A 2 1.162 3.932 -2.315 1.00 62.03 H new ATOM 0 HG23 VAL A 2 0.741 3.208 -0.745 1.00 62.03 H new ATOM 29 N ILE A 3 5.520 4.806 -0.633 1.00 30.32 N ATOM 30 CA ILE A 3 6.729 5.266 0.037 1.00 23.25 C ATOM 31 C ILE A 3 6.667 6.763 0.317 1.00 42.11 C ATOM 32 O ILE A 3 6.245 7.547 -0.535 1.00 65.10 O ATOM 33 CB ILE A 3 7.986 4.962 -0.798 1.00 44.03 C ATOM 34 CG1 ILE A 3 8.071 3.465 -1.106 1.00 20.34 C ATOM 35 CG2 ILE A 3 9.235 5.428 -0.066 1.00 11.55 C ATOM 36 CD1 ILE A 3 9.336 3.069 -1.836 1.00 75.23 C ATOM 0 H ILE A 3 5.376 5.202 -1.562 1.00 30.32 H new ATOM 0 HA ILE A 3 6.791 4.725 0.981 1.00 23.25 H new ATOM 0 HB ILE A 3 7.917 5.505 -1.740 1.00 44.03 H new ATOM 0 HG12 ILE A 3 8.010 2.906 -0.172 1.00 20.34 H new ATOM 0 HG13 ILE A 3 7.209 3.176 -1.707 1.00 20.34 H new ATOM 0 HG21 ILE A 3 10.115 5.206 -0.670 1.00 11.55 H new ATOM 0 HG22 ILE A 3 9.176 6.503 0.107 1.00 11.55 H new ATOM 0 HG23 ILE A 3 9.311 4.910 0.890 1.00 11.55 H new ATOM 0 HD11 ILE A 3 9.328 1.995 -2.021 1.00 75.23 H new ATOM 0 HD12 ILE A 3 9.389 3.601 -2.786 1.00 75.23 H new ATOM 0 HD13 ILE A 3 10.203 3.326 -1.227 1.00 75.23 H new ATOM 48 N ILE A 4 7.094 7.155 1.513 1.00 74.43 N ATOM 49 CA ILE A 4 7.089 8.559 1.902 1.00 10.24 C ATOM 50 C ILE A 4 8.424 9.224 1.581 1.00 65.33 C ATOM 51 O ILE A 4 9.458 8.873 2.149 1.00 30.12 O ATOM 52 CB ILE A 4 6.795 8.726 3.406 1.00 43.24 C ATOM 53 CG1 ILE A 4 5.425 8.139 3.747 1.00 64.54 C ATOM 54 CG2 ILE A 4 6.862 10.194 3.798 1.00 72.12 C ATOM 55 CD1 ILE A 4 5.221 7.900 5.227 1.00 4.31 C ATOM 0 H ILE A 4 7.448 6.520 2.229 1.00 74.43 H new ATOM 0 HA ILE A 4 6.298 9.042 1.329 1.00 10.24 H new ATOM 0 HB ILE A 4 7.552 8.184 3.973 1.00 43.24 H new ATOM 0 HG12 ILE A 4 4.649 8.814 3.386 1.00 64.54 H new ATOM 0 HG13 ILE A 4 5.300 7.196 3.214 1.00 64.54 H new ATOM 0 HG21 ILE A 4 6.652 10.296 4.863 1.00 72.12 H new ATOM 0 HG22 ILE A 4 7.858 10.582 3.585 1.00 72.12 H new ATOM 0 HG23 ILE A 4 6.124 10.757 3.227 1.00 72.12 H new ATOM 0 HD11 ILE A 4 4.228 7.483 5.395 1.00 4.31 H new ATOM 0 HD12 ILE A 4 5.974 7.201 5.590 1.00 4.31 H new ATOM 0 HD13 ILE A 4 5.314 8.844 5.764 1.00 4.31 H new ATOM 67 N LYS A 5 8.394 10.185 0.664 1.00 51.52 N ATOM 68 CA LYS A 5 9.600 10.901 0.267 1.00 14.32 C ATOM 69 C LYS A 5 9.366 12.408 0.277 1.00 13.25 C ATOM 70 O LYS A 5 8.235 12.886 0.177 1.00 5.42 O ATOM 71 CB LYS A 5 10.049 10.454 -1.126 1.00 13.01 C ATOM 72 CG LYS A 5 10.293 8.958 -1.235 1.00 33.04 C ATOM 73 CD LYS A 5 9.494 8.344 -2.372 1.00 55.15 C ATOM 74 CE LYS A 5 10.374 7.496 -3.277 1.00 35.43 C ATOM 75 NZ LYS A 5 9.870 6.099 -3.389 1.00 34.25 N ATOM 0 H LYS A 5 7.547 10.486 0.182 1.00 51.52 H new ATOM 0 HA LYS A 5 10.384 10.667 0.987 1.00 14.32 H new ATOM 0 HB2 LYS A 5 9.291 10.744 -1.854 1.00 13.01 H new ATOM 0 HB3 LYS A 5 10.964 10.983 -1.391 1.00 13.01 H new ATOM 0 HG2 LYS A 5 11.355 8.772 -1.394 1.00 33.04 H new ATOM 0 HG3 LYS A 5 10.022 8.475 -0.296 1.00 33.04 H new ATOM 0 HD2 LYS A 5 8.691 7.730 -1.964 1.00 55.15 H new ATOM 0 HD3 LYS A 5 9.024 9.135 -2.957 1.00 55.15 H new ATOM 0 HE2 LYS A 5 10.417 7.947 -4.268 1.00 35.43 H new ATOM 0 HE3 LYS A 5 11.392 7.485 -2.887 1.00 35.43 H new ATOM 0 HZ1 LYS A 5 10.196 5.683 -4.284 1.00 34.25 H new ATOM 0 HZ2 LYS A 5 10.231 5.535 -2.593 1.00 34.25 H new ATOM 0 HZ3 LYS A 5 8.830 6.102 -3.368 1.00 34.25 H new ATOM 89 N PRO A 6 10.458 13.178 0.398 1.00 21.22 N ATOM 90 CA PRO A 6 10.397 14.642 0.423 1.00 42.12 C ATOM 91 C PRO A 6 10.015 15.228 -0.933 1.00 30.01 C ATOM 92 O PRO A 6 10.307 14.644 -1.975 1.00 43.34 O ATOM 93 CB PRO A 6 11.823 15.051 0.799 1.00 42.31 C ATOM 94 CG PRO A 6 12.674 13.914 0.350 1.00 42.51 C ATOM 95 CD PRO A 6 11.837 12.677 0.522 1.00 3.30 C ATOM 0 HA PRO A 6 9.638 15.007 1.116 1.00 42.12 H new ATOM 0 HB2 PRO A 6 12.111 15.980 0.307 1.00 42.31 H new ATOM 0 HB3 PRO A 6 11.917 15.216 1.872 1.00 42.31 H new ATOM 0 HG2 PRO A 6 12.976 14.039 -0.690 1.00 42.51 H new ATOM 0 HG3 PRO A 6 13.587 13.853 0.942 1.00 42.51 H new ATOM 0 HD2 PRO A 6 12.063 11.930 -0.239 1.00 3.30 H new ATOM 0 HD3 PRO A 6 12.008 12.207 1.491 1.00 3.30 H new ATOM 103 N GLN A 7 9.361 16.385 -0.908 1.00 61.12 N ATOM 104 CA GLN A 7 8.939 17.049 -2.136 1.00 11.41 C ATOM 105 C GLN A 7 10.036 17.969 -2.662 1.00 43.22 C ATOM 106 O GLN A 7 9.845 18.682 -3.647 1.00 33.34 O ATOM 107 CB GLN A 7 7.659 17.851 -1.894 1.00 65.24 C ATOM 108 CG GLN A 7 7.034 18.398 -3.168 1.00 11.04 C ATOM 109 CD GLN A 7 5.519 18.417 -3.112 1.00 2.41 C ATOM 110 OE1 GLN A 7 4.847 18.026 -4.066 1.00 61.22 O ATOM 111 NE2 GLN A 7 4.973 18.875 -1.992 1.00 5.35 N ATOM 0 H GLN A 7 9.112 16.881 -0.052 1.00 61.12 H new ATOM 0 HA GLN A 7 8.743 16.281 -2.885 1.00 11.41 H new ATOM 0 HB2 GLN A 7 6.933 17.216 -1.386 1.00 65.24 H new ATOM 0 HB3 GLN A 7 7.881 18.681 -1.223 1.00 65.24 H new ATOM 0 HG2 GLN A 7 7.400 19.410 -3.343 1.00 11.04 H new ATOM 0 HG3 GLN A 7 7.355 17.792 -4.015 1.00 11.04 H new ATOM 0 HE21 GLN A 7 5.568 19.189 -1.226 1.00 5.35 H new ATOM 0 HE22 GLN A 7 3.958 18.913 -1.898 1.00 5.35 H new ATOM 120 N VAL A 8 11.189 17.948 -1.999 1.00 22.40 N ATOM 121 CA VAL A 8 12.317 18.778 -2.399 1.00 71.03 C ATOM 122 C VAL A 8 13.640 18.150 -1.977 1.00 63.23 C ATOM 123 O VAL A 8 13.663 17.120 -1.304 1.00 22.41 O ATOM 124 CB VAL A 8 12.217 20.191 -1.793 1.00 52.53 C ATOM 125 CG1 VAL A 8 11.137 20.999 -2.498 1.00 21.22 C ATOM 126 CG2 VAL A 8 11.946 20.112 -0.299 1.00 71.21 C ATOM 0 H VAL A 8 11.365 17.364 -1.182 1.00 22.40 H new ATOM 0 HA VAL A 8 12.284 18.853 -3.486 1.00 71.03 H new ATOM 0 HB VAL A 8 13.170 20.699 -1.939 1.00 52.53 H new ATOM 0 HG11 VAL A 8 11.081 21.994 -2.057 1.00 21.22 H new ATOM 0 HG12 VAL A 8 11.380 21.085 -3.557 1.00 21.22 H new ATOM 0 HG13 VAL A 8 10.176 20.497 -2.386 1.00 21.22 H new ATOM 0 HG21 VAL A 8 11.878 21.119 0.112 1.00 71.21 H new ATOM 0 HG22 VAL A 8 11.007 19.586 -0.127 1.00 71.21 H new ATOM 0 HG23 VAL A 8 12.758 19.574 0.190 1.00 71.21 H new ATOM 136 N SER A 9 14.742 18.776 -2.378 1.00 62.45 N ATOM 137 CA SER A 9 16.070 18.276 -2.045 1.00 22.45 C ATOM 138 C SER A 9 16.762 19.197 -1.044 1.00 25.42 C ATOM 139 O SER A 9 16.946 20.386 -1.302 1.00 51.01 O ATOM 140 CB SER A 9 16.922 18.146 -3.309 1.00 1.35 C ATOM 141 OG SER A 9 17.072 19.398 -3.953 1.00 42.44 O ATOM 0 H SER A 9 14.741 19.631 -2.934 1.00 62.45 H new ATOM 0 HA SER A 9 15.957 17.292 -1.590 1.00 22.45 H new ATOM 0 HB2 SER A 9 17.903 17.746 -3.051 1.00 1.35 H new ATOM 0 HB3 SER A 9 16.458 17.435 -3.993 1.00 1.35 H new ATOM 0 HG SER A 9 17.108 20.110 -3.280 1.00 42.44 H new ATOM 147 N GLY A 10 17.144 18.638 0.100 1.00 63.21 N ATOM 148 CA GLY A 10 17.811 19.422 1.123 1.00 33.43 C ATOM 149 C GLY A 10 18.569 18.559 2.112 1.00 13.24 C ATOM 150 O GLY A 10 19.417 17.756 1.724 1.00 4.11 O ATOM 0 H GLY A 10 17.003 17.656 0.337 1.00 63.21 H new ATOM 0 HA2 GLY A 10 18.502 20.119 0.649 1.00 33.43 H new ATOM 0 HA3 GLY A 10 17.073 20.019 1.658 1.00 33.43 H new ATOM 154 N VAL A 11 18.265 18.726 3.395 1.00 14.12 N ATOM 155 CA VAL A 11 18.924 17.957 4.445 1.00 50.55 C ATOM 156 C VAL A 11 17.964 17.652 5.588 1.00 74.32 C ATOM 157 O VAL A 11 17.228 18.527 6.045 1.00 53.33 O ATOM 158 CB VAL A 11 20.150 18.704 5.003 1.00 53.23 C ATOM 159 CG1 VAL A 11 20.916 17.823 5.977 1.00 74.50 C ATOM 160 CG2 VAL A 11 21.051 19.169 3.869 1.00 52.21 C ATOM 0 H VAL A 11 17.566 19.387 3.733 1.00 14.12 H new ATOM 0 HA VAL A 11 19.253 17.022 3.993 1.00 50.55 H new ATOM 0 HB VAL A 11 19.802 19.584 5.545 1.00 53.23 H new ATOM 0 HG11 VAL A 11 21.778 18.369 6.360 1.00 74.50 H new ATOM 0 HG12 VAL A 11 20.265 17.545 6.806 1.00 74.50 H new ATOM 0 HG13 VAL A 11 21.255 16.923 5.464 1.00 74.50 H new ATOM 0 HG21 VAL A 11 21.912 19.695 4.281 1.00 52.21 H new ATOM 0 HG22 VAL A 11 21.392 18.306 3.298 1.00 52.21 H new ATOM 0 HG23 VAL A 11 20.495 19.840 3.214 1.00 52.21 H new ATOM 170 N ILE A 12 17.977 16.405 6.047 1.00 72.23 N ATOM 171 CA ILE A 12 17.108 15.984 7.140 1.00 54.31 C ATOM 172 C ILE A 12 17.276 16.890 8.355 1.00 32.14 C ATOM 173 O ILE A 12 18.388 17.295 8.692 1.00 11.52 O ATOM 174 CB ILE A 12 17.390 14.529 7.555 1.00 12.21 C ATOM 175 CG1 ILE A 12 17.254 13.596 6.350 1.00 12.41 C ATOM 176 CG2 ILE A 12 16.446 14.104 8.670 1.00 44.31 C ATOM 177 CD1 ILE A 12 15.850 13.534 5.790 1.00 41.51 C ATOM 0 H ILE A 12 18.579 15.669 5.679 1.00 72.23 H new ATOM 0 HA ILE A 12 16.084 16.056 6.775 1.00 54.31 H new ATOM 0 HB ILE A 12 18.413 14.465 7.927 1.00 12.21 H new ATOM 0 HG12 ILE A 12 17.935 13.927 5.566 1.00 12.41 H new ATOM 0 HG13 ILE A 12 17.565 12.593 6.640 1.00 12.41 H new ATOM 0 HG21 ILE A 12 16.658 13.073 8.953 1.00 44.31 H new ATOM 0 HG22 ILE A 12 16.588 14.753 9.534 1.00 44.31 H new ATOM 0 HG23 ILE A 12 15.415 14.181 8.323 1.00 44.31 H new ATOM 0 HD11 ILE A 12 15.828 12.854 4.938 1.00 41.51 H new ATOM 0 HD12 ILE A 12 15.167 13.174 6.559 1.00 41.51 H new ATOM 0 HD13 ILE A 12 15.542 14.529 5.468 1.00 41.51 H new ATOM 189 N VAL A 13 16.162 17.204 9.011 1.00 45.33 N ATOM 190 CA VAL A 13 16.186 18.059 10.191 1.00 54.00 C ATOM 191 C VAL A 13 15.805 17.277 11.444 1.00 52.32 C ATOM 192 O VAL A 13 16.321 17.536 12.530 1.00 41.32 O ATOM 193 CB VAL A 13 15.229 19.257 10.036 1.00 3.14 C ATOM 194 CG1 VAL A 13 15.543 20.328 11.069 1.00 23.42 C ATOM 195 CG2 VAL A 13 15.312 19.823 8.626 1.00 34.15 C ATOM 0 H VAL A 13 15.233 16.879 8.745 1.00 45.33 H new ATOM 0 HA VAL A 13 17.206 18.429 10.293 1.00 54.00 H new ATOM 0 HB VAL A 13 14.209 18.911 10.206 1.00 3.14 H new ATOM 0 HG11 VAL A 13 14.857 21.166 10.944 1.00 23.42 H new ATOM 0 HG12 VAL A 13 15.430 19.912 12.070 1.00 23.42 H new ATOM 0 HG13 VAL A 13 16.568 20.674 10.934 1.00 23.42 H new ATOM 0 HG21 VAL A 13 14.630 20.668 8.533 1.00 34.15 H new ATOM 0 HG22 VAL A 13 16.331 20.155 8.427 1.00 34.15 H new ATOM 0 HG23 VAL A 13 15.034 19.052 7.907 1.00 34.15 H new ATOM 205 N ASN A 14 14.896 16.320 11.284 1.00 52.30 N ATOM 206 CA ASN A 14 14.445 15.500 12.402 1.00 13.01 C ATOM 207 C ASN A 14 13.476 14.421 11.930 1.00 51.51 C ATOM 208 O ASN A 14 13.109 14.372 10.755 1.00 22.01 O ATOM 209 CB ASN A 14 13.775 16.374 13.464 1.00 20.34 C ATOM 210 CG ASN A 14 13.879 15.776 14.854 1.00 35.12 C ATOM 211 OD1 ASN A 14 14.899 15.191 15.216 1.00 20.43 O ATOM 212 ND2 ASN A 14 12.819 15.923 15.641 1.00 21.34 N ATOM 0 H ASN A 14 14.458 16.094 10.391 1.00 52.30 H new ATOM 0 HA ASN A 14 15.317 15.013 12.838 1.00 13.01 H new ATOM 0 HB2 ASN A 14 14.235 17.362 13.461 1.00 20.34 H new ATOM 0 HB3 ASN A 14 12.724 16.511 13.208 1.00 20.34 H new ATOM 0 HD21 ASN A 14 12.830 15.543 16.588 1.00 21.34 H new ATOM 0 HD22 ASN A 14 11.994 16.416 15.299 1.00 21.34 H new ATOM 219 N LYS A 15 13.064 13.559 12.853 1.00 64.24 N ATOM 220 CA LYS A 15 12.135 12.481 12.532 1.00 2.14 C ATOM 221 C LYS A 15 11.044 12.370 13.591 1.00 13.24 C ATOM 222 O LYS A 15 11.285 11.885 14.698 1.00 11.04 O ATOM 223 CB LYS A 15 12.886 11.152 12.417 1.00 31.20 C ATOM 224 CG LYS A 15 13.803 10.867 13.594 1.00 71.52 C ATOM 225 CD LYS A 15 14.724 9.692 13.311 1.00 73.45 C ATOM 226 CE LYS A 15 13.964 8.374 13.316 1.00 73.55 C ATOM 227 NZ LYS A 15 14.679 7.323 14.090 1.00 42.32 N ATOM 0 H LYS A 15 13.358 13.585 13.829 1.00 64.24 H new ATOM 0 HA LYS A 15 11.666 12.711 11.575 1.00 2.14 H new ATOM 0 HB2 LYS A 15 12.162 10.342 12.327 1.00 31.20 H new ATOM 0 HB3 LYS A 15 13.476 11.156 11.500 1.00 31.20 H new ATOM 0 HG2 LYS A 15 14.399 11.753 13.815 1.00 71.52 H new ATOM 0 HG3 LYS A 15 13.204 10.656 14.480 1.00 71.52 H new ATOM 0 HD2 LYS A 15 15.206 9.831 12.344 1.00 73.45 H new ATOM 0 HD3 LYS A 15 15.515 9.660 14.060 1.00 73.45 H new ATOM 0 HE2 LYS A 15 12.973 8.528 13.743 1.00 73.55 H new ATOM 0 HE3 LYS A 15 13.820 8.034 12.290 1.00 73.55 H new ATOM 0 HZ1 LYS A 15 14.128 6.441 14.069 1.00 42.32 H new ATOM 0 HZ2 LYS A 15 15.615 7.157 13.668 1.00 42.32 H new ATOM 0 HZ3 LYS A 15 14.794 7.635 15.075 1.00 42.32 H new ATOM 241 N LEU A 16 9.843 12.821 13.246 1.00 22.14 N ATOM 242 CA LEU A 16 8.713 12.772 14.168 1.00 64.21 C ATOM 243 C LEU A 16 7.844 11.547 13.898 1.00 2.12 C ATOM 244 O LEU A 16 6.622 11.652 13.791 1.00 72.15 O ATOM 245 CB LEU A 16 7.874 14.044 14.045 1.00 31.12 C ATOM 246 CG LEU A 16 8.630 15.311 13.645 1.00 4.33 C ATOM 247 CD1 LEU A 16 7.665 16.471 13.453 1.00 2.30 C ATOM 248 CD2 LEU A 16 9.682 15.657 14.689 1.00 61.13 C ATOM 0 H LEU A 16 9.626 13.225 12.335 1.00 22.14 H new ATOM 0 HA LEU A 16 9.105 12.700 15.182 1.00 64.21 H new ATOM 0 HB2 LEU A 16 7.088 13.867 13.311 1.00 31.12 H new ATOM 0 HB3 LEU A 16 7.383 14.225 15.001 1.00 31.12 H new ATOM 0 HG LEU A 16 9.135 15.125 12.697 1.00 4.33 H new ATOM 0 HD11 LEU A 16 8.222 17.364 13.169 1.00 2.30 H new ATOM 0 HD12 LEU A 16 6.950 16.224 12.668 1.00 2.30 H new ATOM 0 HD13 LEU A 16 7.131 16.658 14.385 1.00 2.30 H new ATOM 0 HD21 LEU A 16 10.210 16.562 14.387 1.00 61.13 H new ATOM 0 HD22 LEU A 16 9.198 15.823 15.652 1.00 61.13 H new ATOM 0 HD23 LEU A 16 10.392 14.835 14.777 1.00 61.13 H new ATOM 260 N PHE A 17 8.482 10.387 13.790 1.00 32.41 N ATOM 261 CA PHE A 17 7.767 9.142 13.535 1.00 43.43 C ATOM 262 C PHE A 17 8.358 7.998 14.353 1.00 62.51 C ATOM 263 O PHE A 17 9.411 8.141 14.974 1.00 34.33 O ATOM 264 CB PHE A 17 7.817 8.798 12.044 1.00 22.32 C ATOM 265 CG PHE A 17 9.055 8.047 11.644 1.00 4.15 C ATOM 266 CD1 PHE A 17 10.261 8.710 11.482 1.00 61.22 C ATOM 267 CD2 PHE A 17 9.013 6.678 11.429 1.00 14.22 C ATOM 268 CE1 PHE A 17 11.402 8.023 11.114 1.00 21.30 C ATOM 269 CE2 PHE A 17 10.150 5.986 11.061 1.00 23.13 C ATOM 270 CZ PHE A 17 11.347 6.659 10.902 1.00 71.30 C ATOM 0 H PHE A 17 9.493 10.283 13.875 1.00 32.41 H new ATOM 0 HA PHE A 17 6.728 9.280 13.835 1.00 43.43 H new ATOM 0 HB2 PHE A 17 6.941 8.202 11.787 1.00 22.32 H new ATOM 0 HB3 PHE A 17 7.757 9.719 11.464 1.00 22.32 H new ATOM 0 HD1 PHE A 17 10.310 9.776 11.645 1.00 61.22 H new ATOM 0 HD2 PHE A 17 8.081 6.147 11.551 1.00 14.22 H new ATOM 0 HE1 PHE A 17 12.336 8.552 10.992 1.00 21.30 H new ATOM 0 HE2 PHE A 17 10.104 4.919 10.897 1.00 23.13 H new ATOM 0 HZ PHE A 17 12.237 6.120 10.613 1.00 71.30 H new ATOM 280 N LYS A 18 7.671 6.860 14.349 1.00 62.31 N ATOM 281 CA LYS A 18 8.126 5.688 15.089 1.00 11.13 C ATOM 282 C LYS A 18 8.165 4.458 14.189 1.00 5.24 C ATOM 283 O LYS A 18 7.546 4.434 13.126 1.00 22.41 O ATOM 284 CB LYS A 18 7.208 5.429 16.287 1.00 42.45 C ATOM 285 CG LYS A 18 7.493 6.328 17.477 1.00 43.10 C ATOM 286 CD LYS A 18 8.455 5.672 18.453 1.00 31.42 C ATOM 287 CE LYS A 18 8.791 6.599 19.612 1.00 62.51 C ATOM 288 NZ LYS A 18 9.571 5.901 20.671 1.00 11.52 N ATOM 0 H LYS A 18 6.797 6.724 13.841 1.00 62.31 H new ATOM 0 HA LYS A 18 9.136 5.885 15.448 1.00 11.13 H new ATOM 0 HB2 LYS A 18 6.172 5.568 15.977 1.00 42.45 H new ATOM 0 HB3 LYS A 18 7.312 4.389 16.595 1.00 42.45 H new ATOM 0 HG2 LYS A 18 7.913 7.272 17.129 1.00 43.10 H new ATOM 0 HG3 LYS A 18 6.559 6.564 17.988 1.00 43.10 H new ATOM 0 HD2 LYS A 18 8.014 4.752 18.837 1.00 31.42 H new ATOM 0 HD3 LYS A 18 9.371 5.393 17.931 1.00 31.42 H new ATOM 0 HE2 LYS A 18 9.362 7.451 19.242 1.00 62.51 H new ATOM 0 HE3 LYS A 18 7.870 6.994 20.040 1.00 62.51 H new ATOM 0 HZ1 LYS A 18 9.780 6.566 21.443 1.00 11.52 H new ATOM 0 HZ2 LYS A 18 9.016 5.103 21.042 1.00 11.52 H new ATOM 0 HZ3 LYS A 18 10.462 5.546 20.269 1.00 11.52 H new ATOM 302 N ALA A 19 8.897 3.436 14.623 1.00 54.31 N ATOM 303 CA ALA A 19 9.014 2.201 13.857 1.00 2.23 C ATOM 304 C ALA A 19 7.889 1.231 14.205 1.00 12.41 C ATOM 305 O ALA A 19 7.884 0.631 15.279 1.00 52.01 O ATOM 306 CB ALA A 19 10.368 1.553 14.106 1.00 21.20 C ATOM 0 H ALA A 19 9.417 3.439 15.500 1.00 54.31 H new ATOM 0 HA ALA A 19 8.931 2.449 12.799 1.00 2.23 H new ATOM 0 HB1 ALA A 19 10.442 0.632 13.528 1.00 21.20 H new ATOM 0 HB2 ALA A 19 11.160 2.237 13.802 1.00 21.20 H new ATOM 0 HB3 ALA A 19 10.473 1.325 15.167 1.00 21.20 H new ATOM 312 N GLY A 20 6.937 1.084 13.289 1.00 53.00 N ATOM 313 CA GLY A 20 5.820 0.187 13.518 1.00 71.05 C ATOM 314 C GLY A 20 4.579 0.916 13.995 1.00 42.30 C ATOM 315 O GLY A 20 3.587 0.289 14.365 1.00 63.13 O ATOM 0 H GLY A 20 6.919 1.570 12.392 1.00 53.00 H new ATOM 0 HA2 GLY A 20 5.592 -0.347 12.596 1.00 71.05 H new ATOM 0 HA3 GLY A 20 6.105 -0.561 14.258 1.00 71.05 H new ATOM 319 N ASP A 21 4.636 2.243 13.987 1.00 13.45 N ATOM 320 CA ASP A 21 3.508 3.059 14.425 1.00 72.24 C ATOM 321 C ASP A 21 2.580 3.372 13.255 1.00 52.02 C ATOM 322 O ASP A 21 2.851 2.995 12.115 1.00 74.24 O ATOM 323 CB ASP A 21 4.006 4.358 15.059 1.00 23.23 C ATOM 324 CG ASP A 21 3.985 4.308 16.574 1.00 4.03 C ATOM 325 OD1 ASP A 21 4.598 3.381 17.145 1.00 1.44 O ATOM 326 OD2 ASP A 21 3.358 5.195 17.188 1.00 33.42 O ATOM 0 H ASP A 21 5.450 2.777 13.683 1.00 13.45 H new ATOM 0 HA ASP A 21 2.948 2.493 15.170 1.00 72.24 H new ATOM 0 HB2 ASP A 21 5.022 4.559 14.719 1.00 23.23 H new ATOM 0 HB3 ASP A 21 3.386 5.187 14.717 1.00 23.23 H new ATOM 331 N LYS A 22 1.483 4.063 13.546 1.00 62.40 N ATOM 332 CA LYS A 22 0.513 4.428 12.520 1.00 31.24 C ATOM 333 C LYS A 22 0.667 5.892 12.122 1.00 13.02 C ATOM 334 O LYS A 22 1.213 6.697 12.878 1.00 75.12 O ATOM 335 CB LYS A 22 -0.910 4.171 13.020 1.00 30.03 C ATOM 336 CG LYS A 22 -1.352 5.128 14.114 1.00 21.45 C ATOM 337 CD LYS A 22 -2.382 4.488 15.031 1.00 55.34 C ATOM 338 CE LYS A 22 -2.992 5.508 15.981 1.00 63.02 C ATOM 339 NZ LYS A 22 -4.478 5.430 15.999 1.00 71.10 N ATOM 0 H LYS A 22 1.243 4.382 14.485 1.00 62.40 H new ATOM 0 HA LYS A 22 0.700 3.810 11.642 1.00 31.24 H new ATOM 0 HB2 LYS A 22 -1.601 4.248 12.180 1.00 30.03 H new ATOM 0 HB3 LYS A 22 -0.976 3.149 13.394 1.00 30.03 H new ATOM 0 HG2 LYS A 22 -0.486 5.439 14.699 1.00 21.45 H new ATOM 0 HG3 LYS A 22 -1.773 6.027 13.664 1.00 21.45 H new ATOM 0 HD2 LYS A 22 -3.169 4.030 14.432 1.00 55.34 H new ATOM 0 HD3 LYS A 22 -1.913 3.689 15.605 1.00 55.34 H new ATOM 0 HE2 LYS A 22 -2.608 5.342 16.987 1.00 63.02 H new ATOM 0 HE3 LYS A 22 -2.685 6.511 15.683 1.00 63.02 H new ATOM 0 HZ1 LYS A 22 -4.855 6.141 16.658 1.00 71.10 H new ATOM 0 HZ2 LYS A 22 -4.847 5.613 15.044 1.00 71.10 H new ATOM 0 HZ3 LYS A 22 -4.772 4.481 16.307 1.00 71.10 H new ATOM 353 N VAL A 23 0.182 6.232 10.933 1.00 43.22 N ATOM 354 CA VAL A 23 0.263 7.601 10.436 1.00 42.20 C ATOM 355 C VAL A 23 -1.123 8.219 10.297 1.00 20.42 C ATOM 356 O VAL A 23 -2.137 7.528 10.407 1.00 3.31 O ATOM 357 CB VAL A 23 0.979 7.661 9.072 1.00 33.05 C ATOM 358 CG1 VAL A 23 2.407 7.154 9.196 1.00 2.32 C ATOM 359 CG2 VAL A 23 0.209 6.864 8.032 1.00 64.42 C ATOM 0 H VAL A 23 -0.272 5.578 10.295 1.00 43.22 H new ATOM 0 HA VAL A 23 0.839 8.169 11.167 1.00 42.20 H new ATOM 0 HB VAL A 23 1.016 8.700 8.745 1.00 33.05 H new ATOM 0 HG11 VAL A 23 2.897 7.204 8.223 1.00 2.32 H new ATOM 0 HG12 VAL A 23 2.952 7.773 9.909 1.00 2.32 H new ATOM 0 HG13 VAL A 23 2.397 6.121 9.545 1.00 2.32 H new ATOM 0 HG21 VAL A 23 0.728 6.917 7.075 1.00 64.42 H new ATOM 0 HG22 VAL A 23 0.139 5.824 8.350 1.00 64.42 H new ATOM 0 HG23 VAL A 23 -0.793 7.279 7.924 1.00 64.42 H new ATOM 369 N LYS A 24 -1.161 9.524 10.055 1.00 51.21 N ATOM 370 CA LYS A 24 -2.423 10.238 9.899 1.00 71.03 C ATOM 371 C LYS A 24 -2.378 11.166 8.690 1.00 15.12 C ATOM 372 O LYS A 24 -1.319 11.679 8.327 1.00 3.03 O ATOM 373 CB LYS A 24 -2.737 11.042 11.162 1.00 15.42 C ATOM 374 CG LYS A 24 -3.663 12.221 10.917 1.00 22.15 C ATOM 375 CD LYS A 24 -5.094 11.767 10.678 1.00 5.24 C ATOM 376 CE LYS A 24 -5.843 12.736 9.777 1.00 51.32 C ATOM 377 NZ LYS A 24 -6.788 13.591 10.547 1.00 53.22 N ATOM 0 H LYS A 24 -0.331 10.110 9.962 1.00 51.21 H new ATOM 0 HA LYS A 24 -3.211 9.502 9.739 1.00 71.03 H new ATOM 0 HB2 LYS A 24 -3.191 10.381 11.900 1.00 15.42 H new ATOM 0 HB3 LYS A 24 -1.804 11.406 11.592 1.00 15.42 H new ATOM 0 HG2 LYS A 24 -3.632 12.893 11.774 1.00 22.15 H new ATOM 0 HG3 LYS A 24 -3.311 12.788 10.055 1.00 22.15 H new ATOM 0 HD2 LYS A 24 -5.091 10.775 10.225 1.00 5.24 H new ATOM 0 HD3 LYS A 24 -5.613 11.680 11.632 1.00 5.24 H new ATOM 0 HE2 LYS A 24 -5.128 13.368 9.250 1.00 51.32 H new ATOM 0 HE3 LYS A 24 -6.393 12.177 9.020 1.00 51.32 H new ATOM 0 HZ1 LYS A 24 -7.279 14.238 9.897 1.00 53.22 H new ATOM 0 HZ2 LYS A 24 -7.486 12.990 11.030 1.00 53.22 H new ATOM 0 HZ3 LYS A 24 -6.260 14.144 11.252 1.00 53.22 H new ATOM 391 N LYS A 25 -3.533 11.380 8.070 1.00 72.22 N ATOM 392 CA LYS A 25 -3.627 12.249 6.903 1.00 2.31 C ATOM 393 C LYS A 25 -3.104 13.646 7.222 1.00 3.23 C ATOM 394 O LYS A 25 -3.827 14.483 7.760 1.00 33.35 O ATOM 395 CB LYS A 25 -5.077 12.334 6.420 1.00 50.34 C ATOM 396 CG LYS A 25 -5.690 10.984 6.097 1.00 73.52 C ATOM 397 CD LYS A 25 -7.183 11.097 5.836 1.00 31.14 C ATOM 398 CE LYS A 25 -7.562 10.496 4.492 1.00 64.43 C ATOM 399 NZ LYS A 25 -7.298 11.437 3.369 1.00 34.02 N ATOM 0 H LYS A 25 -4.419 10.963 8.357 1.00 72.22 H new ATOM 0 HA LYS A 25 -3.011 11.821 6.112 1.00 2.31 H new ATOM 0 HB2 LYS A 25 -5.678 12.823 7.187 1.00 50.34 H new ATOM 0 HB3 LYS A 25 -5.119 12.965 5.532 1.00 50.34 H new ATOM 0 HG2 LYS A 25 -5.198 10.560 5.222 1.00 73.52 H new ATOM 0 HG3 LYS A 25 -5.516 10.297 6.925 1.00 73.52 H new ATOM 0 HD2 LYS A 25 -7.731 10.590 6.630 1.00 31.14 H new ATOM 0 HD3 LYS A 25 -7.480 12.146 5.863 1.00 31.14 H new ATOM 0 HE2 LYS A 25 -7.000 9.576 4.334 1.00 64.43 H new ATOM 0 HE3 LYS A 25 -8.618 10.227 4.500 1.00 64.43 H new ATOM 0 HZ1 LYS A 25 -7.570 10.990 2.470 1.00 34.02 H new ATOM 0 HZ2 LYS A 25 -7.854 12.305 3.506 1.00 34.02 H new ATOM 0 HZ3 LYS A 25 -6.286 11.674 3.346 1.00 34.02 H new ATOM 413 N GLY A 26 -1.841 13.892 6.884 1.00 20.32 N ATOM 414 CA GLY A 26 -1.243 15.189 7.142 1.00 32.11 C ATOM 415 C GLY A 26 -0.416 15.204 8.411 1.00 2.55 C ATOM 416 O GLY A 26 -0.086 16.270 8.931 1.00 35.33 O ATOM 0 H GLY A 26 -1.222 13.216 6.436 1.00 20.32 H new ATOM 0 HA2 GLY A 26 -0.613 15.469 6.298 1.00 32.11 H new ATOM 0 HA3 GLY A 26 -2.030 15.940 7.216 1.00 32.11 H new ATOM 420 N GLN A 27 -0.081 14.020 8.913 1.00 73.55 N ATOM 421 CA GLN A 27 0.710 13.903 10.132 1.00 25.21 C ATOM 422 C GLN A 27 2.201 13.989 9.823 1.00 14.40 C ATOM 423 O GLN A 27 2.702 13.305 8.930 1.00 65.24 O ATOM 424 CB GLN A 27 0.400 12.583 10.841 1.00 2.14 C ATOM 425 CG GLN A 27 0.314 12.711 12.353 1.00 13.22 C ATOM 426 CD GLN A 27 0.092 11.379 13.041 1.00 62.43 C ATOM 427 OE1 GLN A 27 0.827 10.361 12.609 1.00 33.04 O flip ATOM 428 NE2 GLN A 27 -0.731 11.265 13.949 1.00 62.31 N flip ATOM 0 H GLN A 27 -0.345 13.128 8.494 1.00 73.55 H new ATOM 0 HA GLN A 27 0.445 14.732 10.789 1.00 25.21 H new ATOM 0 HB2 GLN A 27 -0.544 12.190 10.464 1.00 2.14 H new ATOM 0 HB3 GLN A 27 1.171 11.855 10.589 1.00 2.14 H new ATOM 0 HG2 GLN A 27 1.233 13.160 12.728 1.00 13.22 H new ATOM 0 HG3 GLN A 27 -0.500 13.388 12.610 1.00 13.22 H new ATOM 0 HE21 GLN A 27 -1.274 12.074 14.249 1.00 62.31 H new ATOM 0 HE22 GLN A 27 -0.870 10.361 14.401 1.00 62.31 H new ATOM 437 N THR A 28 2.907 14.835 10.567 1.00 54.34 N ATOM 438 CA THR A 28 4.340 15.014 10.371 1.00 44.33 C ATOM 439 C THR A 28 5.106 13.747 10.733 1.00 21.44 C ATOM 440 O THR A 28 4.802 13.089 11.729 1.00 32.23 O ATOM 441 CB THR A 28 4.881 16.185 11.212 1.00 75.02 C ATOM 442 OG1 THR A 28 3.902 17.228 11.286 1.00 30.43 O ATOM 443 CG2 THR A 28 6.167 16.733 10.613 1.00 4.14 C ATOM 0 H THR A 28 2.509 15.407 11.311 1.00 54.34 H new ATOM 0 HA THR A 28 4.489 15.237 9.314 1.00 44.33 H new ATOM 0 HB THR A 28 5.095 15.815 12.215 1.00 75.02 H new ATOM 0 HG1 THR A 28 4.253 17.968 11.824 1.00 30.43 H new ATOM 0 HG21 THR A 28 6.530 17.559 11.224 1.00 4.14 H new ATOM 0 HG22 THR A 28 6.920 15.945 10.584 1.00 4.14 H new ATOM 0 HG23 THR A 28 5.974 17.088 9.601 1.00 4.14 H new ATOM 451 N LEU A 29 6.100 13.408 9.921 1.00 42.44 N ATOM 452 CA LEU A 29 6.912 12.219 10.157 1.00 13.23 C ATOM 453 C LEU A 29 8.393 12.522 9.959 1.00 11.12 C ATOM 454 O LEU A 29 9.243 12.030 10.703 1.00 11.10 O ATOM 455 CB LEU A 29 6.481 11.090 9.219 1.00 24.13 C ATOM 456 CG LEU A 29 4.979 10.806 9.155 1.00 41.42 C ATOM 457 CD1 LEU A 29 4.626 10.091 7.860 1.00 5.31 C ATOM 458 CD2 LEU A 29 4.540 9.984 10.358 1.00 41.14 C ATOM 0 H LEU A 29 6.364 13.940 9.092 1.00 42.44 H new ATOM 0 HA LEU A 29 6.760 11.904 11.190 1.00 13.23 H new ATOM 0 HB2 LEU A 29 6.829 11.327 8.214 1.00 24.13 H new ATOM 0 HB3 LEU A 29 6.990 10.176 9.525 1.00 24.13 H new ATOM 0 HG LEU A 29 4.447 11.757 9.177 1.00 41.42 H new ATOM 0 HD11 LEU A 29 3.554 9.897 7.832 1.00 5.31 H new ATOM 0 HD12 LEU A 29 4.904 10.716 7.012 1.00 5.31 H new ATOM 0 HD13 LEU A 29 5.167 9.146 7.807 1.00 5.31 H new ATOM 0 HD21 LEU A 29 3.469 9.792 10.296 1.00 41.14 H new ATOM 0 HD22 LEU A 29 5.079 9.037 10.368 1.00 41.14 H new ATOM 0 HD23 LEU A 29 4.757 10.534 11.273 1.00 41.14 H new ATOM 470 N PHE A 30 8.697 13.337 8.954 1.00 32.43 N ATOM 471 CA PHE A 30 10.076 13.707 8.660 1.00 73.22 C ATOM 472 C PHE A 30 10.190 15.203 8.381 1.00 62.10 C ATOM 473 O PHE A 30 9.186 15.883 8.168 1.00 74.12 O ATOM 474 CB PHE A 30 10.595 12.912 7.460 1.00 13.43 C ATOM 475 CG PHE A 30 11.347 11.671 7.844 1.00 23.13 C ATOM 476 CD1 PHE A 30 12.678 11.741 8.224 1.00 20.20 C ATOM 477 CD2 PHE A 30 10.725 10.433 7.825 1.00 62.20 C ATOM 478 CE1 PHE A 30 13.373 10.599 8.576 1.00 1.35 C ATOM 479 CE2 PHE A 30 11.415 9.288 8.177 1.00 14.43 C ATOM 480 CZ PHE A 30 12.740 9.372 8.554 1.00 24.12 C ATOM 0 H PHE A 30 8.006 13.754 8.330 1.00 32.43 H new ATOM 0 HA PHE A 30 10.683 13.471 9.534 1.00 73.22 H new ATOM 0 HB2 PHE A 30 9.753 12.635 6.826 1.00 13.43 H new ATOM 0 HB3 PHE A 30 11.246 13.552 6.864 1.00 13.43 H new ATOM 0 HD1 PHE A 30 13.178 12.698 8.245 1.00 20.20 H new ATOM 0 HD2 PHE A 30 9.688 10.362 7.532 1.00 62.20 H new ATOM 0 HE1 PHE A 30 14.411 10.666 8.868 1.00 1.35 H new ATOM 0 HE2 PHE A 30 10.918 8.329 8.157 1.00 14.43 H new ATOM 0 HZ PHE A 30 13.281 8.479 8.831 1.00 24.12 H new ATOM 490 N ILE A 31 11.419 15.708 8.385 1.00 70.33 N ATOM 491 CA ILE A 31 11.664 17.122 8.132 1.00 43.24 C ATOM 492 C ILE A 31 12.935 17.321 7.312 1.00 55.33 C ATOM 493 O ILE A 31 13.955 16.677 7.561 1.00 32.24 O ATOM 494 CB ILE A 31 11.785 17.916 9.445 1.00 11.41 C ATOM 495 CG1 ILE A 31 10.629 17.569 10.385 1.00 75.54 C ATOM 496 CG2 ILE A 31 11.813 19.410 9.160 1.00 10.53 C ATOM 497 CD1 ILE A 31 10.914 16.384 11.282 1.00 12.33 C ATOM 0 H ILE A 31 12.260 15.159 8.561 1.00 70.33 H new ATOM 0 HA ILE A 31 10.808 17.495 7.569 1.00 43.24 H new ATOM 0 HB ILE A 31 12.720 17.642 9.933 1.00 11.41 H new ATOM 0 HG12 ILE A 31 10.402 18.437 11.004 1.00 75.54 H new ATOM 0 HG13 ILE A 31 9.739 17.359 9.791 1.00 75.54 H new ATOM 0 HG21 ILE A 31 11.899 19.958 10.098 1.00 10.53 H new ATOM 0 HG22 ILE A 31 12.667 19.643 8.524 1.00 10.53 H new ATOM 0 HG23 ILE A 31 10.893 19.701 8.653 1.00 10.53 H new ATOM 0 HD11 ILE A 31 10.051 16.196 11.921 1.00 12.33 H new ATOM 0 HD12 ILE A 31 11.112 15.504 10.670 1.00 12.33 H new ATOM 0 HD13 ILE A 31 11.785 16.598 11.902 1.00 12.33 H new ATOM 509 N ILE A 32 12.867 18.218 6.334 1.00 72.13 N ATOM 510 CA ILE A 32 14.012 18.504 5.479 1.00 25.20 C ATOM 511 C ILE A 32 14.045 19.974 5.078 1.00 12.43 C ATOM 512 O ILE A 32 13.056 20.516 4.585 1.00 43.52 O ATOM 513 CB ILE A 32 13.996 17.637 4.206 1.00 75.41 C ATOM 514 CG1 ILE A 32 14.274 16.174 4.554 1.00 13.04 C ATOM 515 CG2 ILE A 32 15.015 18.152 3.201 1.00 3.34 C ATOM 516 CD1 ILE A 32 13.911 15.209 3.448 1.00 42.33 C ATOM 0 H ILE A 32 12.031 18.759 6.114 1.00 72.13 H new ATOM 0 HA ILE A 32 14.904 18.267 6.058 1.00 25.20 H new ATOM 0 HB ILE A 32 13.006 17.700 3.754 1.00 75.41 H new ATOM 0 HG12 ILE A 32 15.332 16.060 4.791 1.00 13.04 H new ATOM 0 HG13 ILE A 32 13.716 15.911 5.452 1.00 13.04 H new ATOM 0 HG21 ILE A 32 14.991 17.529 2.307 1.00 3.34 H new ATOM 0 HG22 ILE A 32 14.774 19.181 2.933 1.00 3.34 H new ATOM 0 HG23 ILE A 32 16.011 18.116 3.642 1.00 3.34 H new ATOM 0 HD11 ILE A 32 14.135 14.191 3.765 1.00 42.33 H new ATOM 0 HD12 ILE A 32 12.847 15.294 3.226 1.00 42.33 H new ATOM 0 HD13 ILE A 32 14.488 15.446 2.554 1.00 42.33 H new ATOM 528 N GLU A 33 15.190 20.615 5.293 1.00 11.41 N ATOM 529 CA GLU A 33 15.352 22.024 4.953 1.00 73.22 C ATOM 530 C GLU A 33 15.953 22.183 3.560 1.00 62.34 C ATOM 531 O GLU A 33 17.012 21.630 3.264 1.00 65.33 O ATOM 532 CB GLU A 33 16.239 22.722 5.986 1.00 53.32 C ATOM 533 CG GLU A 33 17.689 22.267 5.949 1.00 31.15 C ATOM 534 CD GLU A 33 18.364 22.360 7.304 1.00 31.12 C ATOM 535 OE1 GLU A 33 18.427 23.475 7.861 1.00 52.43 O ATOM 536 OE2 GLU A 33 18.828 21.316 7.807 1.00 30.22 O ATOM 0 H GLU A 33 16.018 20.181 5.701 1.00 11.41 H new ATOM 0 HA GLU A 33 14.366 22.488 4.959 1.00 73.22 H new ATOM 0 HB2 GLU A 33 16.200 23.798 5.818 1.00 53.32 H new ATOM 0 HB3 GLU A 33 15.835 22.540 6.982 1.00 53.32 H new ATOM 0 HG2 GLU A 33 17.734 21.237 5.595 1.00 31.15 H new ATOM 0 HG3 GLU A 33 18.239 22.875 5.231 1.00 31.15 H new ATOM 543 N GLN A 34 15.269 22.940 2.708 1.00 30.44 N ATOM 544 CA GLN A 34 15.735 23.169 1.346 1.00 53.54 C ATOM 545 C GLN A 34 15.664 24.650 0.989 1.00 41.43 C ATOM 546 O GLN A 34 14.890 25.405 1.578 1.00 31.13 O ATOM 547 CB GLN A 34 14.902 22.354 0.356 1.00 63.25 C ATOM 548 CG GLN A 34 13.622 23.048 -0.080 1.00 75.24 C ATOM 549 CD GLN A 34 12.724 23.405 1.089 1.00 5.01 C ATOM 550 OE1 GLN A 34 12.543 22.461 2.005 1.00 74.11 O flip ATOM 551 NE2 GLN A 34 12.200 24.516 1.167 1.00 32.44 N flip ATOM 0 H GLN A 34 14.390 23.405 2.937 1.00 30.44 H new ATOM 0 HA GLN A 34 16.775 22.848 1.286 1.00 53.54 H new ATOM 0 HB2 GLN A 34 15.507 22.140 -0.525 1.00 63.25 H new ATOM 0 HB3 GLN A 34 14.649 21.396 0.810 1.00 63.25 H new ATOM 0 HG2 GLN A 34 13.874 23.955 -0.630 1.00 75.24 H new ATOM 0 HG3 GLN A 34 13.078 22.400 -0.767 1.00 75.24 H new ATOM 0 HE21 GLN A 34 12.367 25.211 0.439 1.00 32.44 H new ATOM 0 HE22 GLN A 34 11.599 24.742 1.959 1.00 32.44 H new ATOM 560 N ASP A 35 16.476 25.059 0.021 1.00 53.43 N ATOM 561 CA ASP A 35 16.506 26.452 -0.415 1.00 65.53 C ATOM 562 C ASP A 35 17.572 26.662 -1.486 1.00 52.13 C ATOM 563 O ASP A 35 18.190 27.723 -1.557 1.00 44.31 O ATOM 564 CB ASP A 35 16.770 27.375 0.774 1.00 55.13 C ATOM 565 CG ASP A 35 15.623 28.335 1.026 1.00 23.14 C ATOM 566 OD1 ASP A 35 14.459 27.939 0.811 1.00 73.11 O ATOM 567 OD2 ASP A 35 15.891 29.482 1.441 1.00 0.22 O ATOM 0 H ASP A 35 17.122 24.447 -0.477 1.00 53.43 H new ATOM 0 HA ASP A 35 15.533 26.695 -0.843 1.00 65.53 H new ATOM 0 HB2 ASP A 35 16.940 26.773 1.667 1.00 55.13 H new ATOM 0 HB3 ASP A 35 17.683 27.943 0.594 1.00 55.13 H new ATOM 572 N GLN A 36 17.780 25.645 -2.316 1.00 71.31 N ATOM 573 CA GLN A 36 18.772 25.719 -3.381 1.00 73.12 C ATOM 574 C GLN A 36 20.115 26.200 -2.842 1.00 11.21 C ATOM 575 O GLN A 36 20.317 26.276 -1.630 1.00 72.44 O ATOM 576 CB GLN A 36 18.291 26.655 -4.491 1.00 73.11 C ATOM 577 CG GLN A 36 16.926 26.284 -5.050 1.00 13.01 C ATOM 578 CD GLN A 36 16.685 24.787 -5.055 1.00 54.33 C ATOM 579 OE1 GLN A 36 17.476 24.021 -5.605 1.00 72.21 O ATOM 580 NE2 GLN A 36 15.587 24.363 -4.441 1.00 24.33 N ATOM 0 H GLN A 36 17.275 24.760 -2.271 1.00 71.31 H new ATOM 0 HA GLN A 36 18.903 24.717 -3.791 1.00 73.12 H new ATOM 0 HB2 GLN A 36 18.252 27.673 -4.105 1.00 73.11 H new ATOM 0 HB3 GLN A 36 19.020 26.649 -5.301 1.00 73.11 H new ATOM 0 HG2 GLN A 36 16.151 26.771 -4.459 1.00 13.01 H new ATOM 0 HG3 GLN A 36 16.838 26.666 -6.067 1.00 13.01 H new ATOM 0 HE21 GLN A 36 14.959 25.034 -3.998 1.00 24.33 H new ATOM 0 HE22 GLN A 36 15.371 23.366 -4.412 1.00 24.33 H new ATOM 589 N ALA A 37 21.030 26.523 -3.750 1.00 1.55 N ATOM 590 CA ALA A 37 22.353 26.999 -3.365 1.00 61.11 C ATOM 591 C ALA A 37 22.270 28.355 -2.671 1.00 62.34 C ATOM 592 O ALA A 37 22.221 28.432 -1.444 1.00 5.41 O ATOM 593 CB ALA A 37 23.259 27.083 -4.584 1.00 43.10 C ATOM 0 H ALA A 37 20.879 26.464 -4.757 1.00 1.55 H new ATOM 0 HA ALA A 37 22.777 26.285 -2.659 1.00 61.11 H new ATOM 0 HB1 ALA A 37 24.244 27.440 -4.282 1.00 43.10 H new ATOM 0 HB2 ALA A 37 23.354 26.095 -5.036 1.00 43.10 H new ATOM 0 HB3 ALA A 37 22.830 27.774 -5.309 1.00 43.10 H new ATOM 599 N SER A 38 22.254 29.420 -3.465 1.00 11.11 N ATOM 600 CA SER A 38 22.181 30.773 -2.927 1.00 20.22 C ATOM 601 C SER A 38 22.182 31.805 -4.050 1.00 40.42 C ATOM 602 O SER A 38 22.845 32.840 -3.958 1.00 20.25 O ATOM 603 CB SER A 38 23.353 31.031 -1.978 1.00 54.21 C ATOM 604 OG SER A 38 24.544 31.293 -2.700 1.00 0.21 O ATOM 0 H SER A 38 22.291 29.372 -4.483 1.00 11.11 H new ATOM 0 HA SER A 38 21.247 30.868 -2.373 1.00 20.22 H new ATOM 0 HB2 SER A 38 23.122 31.877 -1.331 1.00 54.21 H new ATOM 0 HB3 SER A 38 23.499 30.166 -1.331 1.00 54.21 H new ATOM 0 HG SER A 38 24.461 32.150 -3.168 1.00 0.21 H new ATOM 610 N LYS A 39 21.437 31.518 -5.111 1.00 61.41 N ATOM 611 CA LYS A 39 21.350 32.420 -6.253 1.00 74.40 C ATOM 612 C LYS A 39 19.994 33.118 -6.293 1.00 15.11 C ATOM 613 O LYS A 39 19.829 34.135 -6.966 1.00 70.13 O ATOM 614 CB LYS A 39 21.577 31.650 -7.556 1.00 24.32 C ATOM 615 CG LYS A 39 21.283 30.164 -7.443 1.00 31.10 C ATOM 616 CD LYS A 39 19.802 29.904 -7.219 1.00 72.33 C ATOM 617 CE LYS A 39 18.964 30.426 -8.376 1.00 75.54 C ATOM 618 NZ LYS A 39 17.732 29.613 -8.581 1.00 5.13 N ATOM 0 H LYS A 39 20.884 30.666 -5.204 1.00 61.41 H new ATOM 0 HA LYS A 39 22.126 33.178 -6.146 1.00 74.40 H new ATOM 0 HB2 LYS A 39 20.947 32.078 -8.336 1.00 24.32 H new ATOM 0 HB3 LYS A 39 22.611 31.784 -7.872 1.00 24.32 H new ATOM 0 HG2 LYS A 39 21.609 29.658 -8.351 1.00 31.10 H new ATOM 0 HG3 LYS A 39 21.857 29.740 -6.619 1.00 31.10 H new ATOM 0 HD2 LYS A 39 19.633 28.834 -7.100 1.00 72.33 H new ATOM 0 HD3 LYS A 39 19.483 30.382 -6.293 1.00 72.33 H new ATOM 0 HE2 LYS A 39 18.687 31.463 -8.185 1.00 75.54 H new ATOM 0 HE3 LYS A 39 19.560 30.418 -9.289 1.00 75.54 H new ATOM 0 HZ1 LYS A 39 17.100 30.102 -9.247 1.00 5.13 H new ATOM 0 HZ2 LYS A 39 17.990 28.683 -8.968 1.00 5.13 H new ATOM 0 HZ3 LYS A 39 17.245 29.486 -7.671 1.00 5.13 H new ATOM 632 N ASP A 40 19.028 32.566 -5.567 1.00 3.02 N ATOM 633 CA ASP A 40 17.687 33.138 -5.518 1.00 32.24 C ATOM 634 C ASP A 40 17.120 33.072 -4.103 1.00 4.41 C ATOM 635 O ASP A 40 16.329 33.924 -3.700 1.00 52.50 O ATOM 636 CB ASP A 40 16.760 32.401 -6.487 1.00 14.51 C ATOM 637 CG ASP A 40 16.551 33.165 -7.780 1.00 1.01 C ATOM 638 OD1 ASP A 40 17.479 33.889 -8.198 1.00 43.33 O ATOM 639 OD2 ASP A 40 15.460 33.039 -8.374 1.00 62.34 O ATOM 0 H ASP A 40 19.148 31.724 -5.005 1.00 3.02 H new ATOM 0 HA ASP A 40 17.753 34.185 -5.815 1.00 32.24 H new ATOM 0 HB2 ASP A 40 17.179 31.420 -6.711 1.00 14.51 H new ATOM 0 HB3 ASP A 40 15.796 32.234 -6.007 1.00 14.51 H new ATOM 644 N PHE A 41 17.529 32.054 -3.354 1.00 21.32 N ATOM 645 CA PHE A 41 17.060 31.875 -1.985 1.00 44.11 C ATOM 646 C PHE A 41 17.936 32.650 -1.005 1.00 5.15 C ATOM 647 O PHE A 41 17.630 33.787 -0.648 1.00 3.12 O ATOM 648 CB PHE A 41 17.053 30.390 -1.615 1.00 42.21 C ATOM 649 CG PHE A 41 15.736 29.716 -1.871 1.00 33.23 C ATOM 650 CD1 PHE A 41 14.589 30.138 -1.220 1.00 34.53 C ATOM 651 CD2 PHE A 41 15.645 28.659 -2.763 1.00 73.21 C ATOM 652 CE1 PHE A 41 13.375 29.518 -1.453 1.00 13.34 C ATOM 653 CE2 PHE A 41 14.434 28.036 -3.000 1.00 63.33 C ATOM 654 CZ PHE A 41 13.298 28.467 -2.345 1.00 21.50 C ATOM 0 H PHE A 41 18.184 31.340 -3.672 1.00 21.32 H new ATOM 0 HA PHE A 41 16.043 32.263 -1.922 1.00 44.11 H new ATOM 0 HB2 PHE A 41 17.830 29.878 -2.182 1.00 42.21 H new ATOM 0 HB3 PHE A 41 17.307 30.285 -0.560 1.00 42.21 H new ATOM 0 HD1 PHE A 41 14.643 30.961 -0.522 1.00 34.53 H new ATOM 0 HD2 PHE A 41 16.531 28.318 -3.279 1.00 73.21 H new ATOM 0 HE1 PHE A 41 12.488 29.856 -0.938 1.00 13.34 H new ATOM 0 HE2 PHE A 41 14.377 27.213 -3.697 1.00 63.33 H new ATOM 0 HZ PHE A 41 12.350 27.983 -2.530 1.00 21.50 H new ATOM 664 N ASN A 42 19.027 32.025 -0.574 1.00 22.14 N ATOM 665 CA ASN A 42 19.948 32.654 0.366 1.00 13.53 C ATOM 666 C ASN A 42 21.051 31.686 0.781 1.00 62.44 C ATOM 667 O ASN A 42 21.227 30.632 0.168 1.00 53.22 O ATOM 668 CB ASN A 42 19.192 33.143 1.603 1.00 14.41 C ATOM 669 CG ASN A 42 19.580 34.555 1.998 1.00 42.11 C ATOM 670 OD1 ASN A 42 18.775 35.298 2.561 1.00 24.32 O ATOM 671 ND2 ASN A 42 20.819 34.933 1.703 1.00 33.51 N ATOM 0 H ASN A 42 19.295 31.084 -0.861 1.00 22.14 H new ATOM 0 HA ASN A 42 20.408 33.507 -0.133 1.00 13.53 H new ATOM 0 HB2 ASN A 42 18.120 33.105 1.409 1.00 14.41 H new ATOM 0 HB3 ASN A 42 19.389 32.468 2.436 1.00 14.41 H new ATOM 0 HD22 ASN A 42 21.453 34.284 1.236 1.00 33.51 H new ATOM 677 N ARG A 43 21.789 32.048 1.825 1.00 73.24 N ATOM 678 CA ARG A 43 22.875 31.211 2.320 1.00 32.32 C ATOM 679 C ARG A 43 23.657 31.928 3.416 1.00 60.21 C ATOM 680 O ARG A 43 24.211 31.294 4.314 1.00 14.22 O ATOM 681 CB ARG A 43 23.814 30.826 1.176 1.00 21.30 C ATOM 682 CG ARG A 43 25.191 30.384 1.641 1.00 10.21 C ATOM 683 CD ARG A 43 26.011 29.816 0.494 1.00 22.22 C ATOM 684 NE ARG A 43 27.226 30.589 0.254 1.00 44.24 N ATOM 685 CZ ARG A 43 28.094 30.314 -0.714 1.00 65.43 C ATOM 686 NH1 ARG A 43 27.881 29.288 -1.528 1.00 31.44 N ATOM 687 NH2 ARG A 43 29.177 31.064 -0.870 1.00 63.22 N ATOM 0 H ARG A 43 21.655 32.915 2.344 1.00 73.24 H new ATOM 0 HA ARG A 43 22.439 30.305 2.742 1.00 32.32 H new ATOM 0 HB2 ARG A 43 23.359 30.021 0.599 1.00 21.30 H new ATOM 0 HB3 ARG A 43 23.923 31.678 0.504 1.00 21.30 H new ATOM 0 HG2 ARG A 43 25.717 31.231 2.081 1.00 10.21 H new ATOM 0 HG3 ARG A 43 25.088 29.632 2.423 1.00 10.21 H new ATOM 0 HD2 ARG A 43 26.277 28.782 0.716 1.00 22.22 H new ATOM 0 HD3 ARG A 43 25.405 29.802 -0.412 1.00 22.22 H new ATOM 0 HE ARG A 43 27.419 31.384 0.863 1.00 44.24 H new ATOM 0 HH11 ARG A 43 27.050 28.709 -1.411 1.00 31.44 H new ATOM 0 HH12 ARG A 43 28.549 29.079 -2.270 1.00 31.44 H new ATOM 0 HH21 ARG A 43 29.345 31.853 -0.246 1.00 63.22 H new ATOM 0 HH22 ARG A 43 29.842 30.851 -1.614 1.00 63.22 H new ATOM 701 N SER A 44 23.699 33.255 3.335 1.00 63.12 N ATOM 702 CA SER A 44 24.417 34.058 4.316 1.00 5.35 C ATOM 703 C SER A 44 23.949 33.734 5.732 1.00 4.22 C ATOM 704 O SER A 44 24.751 33.662 6.663 1.00 42.12 O ATOM 705 CB SER A 44 24.220 35.548 4.030 1.00 62.22 C ATOM 706 OG SER A 44 25.365 36.295 4.403 1.00 41.13 O ATOM 0 H SER A 44 23.244 33.796 2.600 1.00 63.12 H new ATOM 0 HA SER A 44 25.477 33.818 4.239 1.00 5.35 H new ATOM 0 HB2 SER A 44 24.016 35.694 2.969 1.00 62.22 H new ATOM 0 HB3 SER A 44 23.350 35.914 4.575 1.00 62.22 H new ATOM 0 HG SER A 44 25.214 37.244 4.209 1.00 41.13 H new ATOM 712 N LYS A 45 22.644 33.540 5.886 1.00 25.52 N ATOM 713 CA LYS A 45 22.065 33.221 7.186 1.00 12.44 C ATOM 714 C LYS A 45 22.795 32.050 7.834 1.00 30.15 C ATOM 715 O LYS A 45 23.372 32.185 8.913 1.00 0.44 O ATOM 716 CB LYS A 45 20.578 32.892 7.038 1.00 4.02 C ATOM 717 CG LYS A 45 19.665 33.860 7.769 1.00 61.21 C ATOM 718 CD LYS A 45 19.093 34.906 6.827 1.00 13.12 C ATOM 719 CE LYS A 45 17.866 34.384 6.095 1.00 54.14 C ATOM 720 NZ LYS A 45 16.603 34.912 6.681 1.00 13.32 N ATOM 0 H LYS A 45 21.966 33.598 5.126 1.00 25.52 H new ATOM 0 HA LYS A 45 22.175 34.094 7.829 1.00 12.44 H new ATOM 0 HB2 LYS A 45 20.319 32.890 5.979 1.00 4.02 H new ATOM 0 HB3 LYS A 45 20.399 31.884 7.412 1.00 4.02 H new ATOM 0 HG2 LYS A 45 18.851 33.309 8.240 1.00 61.21 H new ATOM 0 HG3 LYS A 45 20.220 34.353 8.567 1.00 61.21 H new ATOM 0 HD2 LYS A 45 18.828 35.800 7.392 1.00 13.12 H new ATOM 0 HD3 LYS A 45 19.853 35.200 6.103 1.00 13.12 H new ATOM 0 HE2 LYS A 45 17.924 34.665 5.044 1.00 54.14 H new ATOM 0 HE3 LYS A 45 17.856 33.295 6.133 1.00 54.14 H new ATOM 0 HZ1 LYS A 45 15.791 34.533 6.154 1.00 13.32 H new ATOM 0 HZ2 LYS A 45 16.535 34.622 7.678 1.00 13.32 H new ATOM 0 HZ3 LYS A 45 16.600 35.950 6.621 1.00 13.32 H new ATOM 734 N ALA A 46 22.767 30.900 7.169 1.00 60.21 N ATOM 735 CA ALA A 46 23.429 29.705 7.679 1.00 43.24 C ATOM 736 C ALA A 46 24.764 29.476 6.978 1.00 71.11 C ATOM 737 O ALA A 46 24.804 29.101 5.806 1.00 64.23 O ATOM 738 CB ALA A 46 22.528 28.490 7.513 1.00 14.52 C ATOM 0 H ALA A 46 22.293 30.770 6.275 1.00 60.21 H new ATOM 0 HA ALA A 46 23.626 29.854 8.741 1.00 43.24 H new ATOM 0 HB1 ALA A 46 23.035 27.605 7.898 1.00 14.52 H new ATOM 0 HB2 ALA A 46 21.601 28.646 8.065 1.00 14.52 H new ATOM 0 HB3 ALA A 46 22.301 28.347 6.457 1.00 14.52 H new ATOM 744 N LEU A 47 25.853 29.703 7.702 1.00 4.13 N ATOM 745 CA LEU A 47 27.192 29.522 7.149 1.00 32.54 C ATOM 746 C LEU A 47 27.922 28.382 7.853 1.00 55.42 C ATOM 747 O LEU A 47 27.581 28.013 8.977 1.00 75.32 O ATOM 748 CB LEU A 47 27.997 30.815 7.276 1.00 20.25 C ATOM 749 CG LEU A 47 27.349 32.070 6.692 1.00 42.24 C ATOM 750 CD1 LEU A 47 27.679 33.287 7.541 1.00 12.13 C ATOM 751 CD2 LEU A 47 27.801 32.283 5.254 1.00 43.44 C ATOM 0 H LEU A 47 25.837 30.013 8.674 1.00 4.13 H new ATOM 0 HA LEU A 47 27.091 29.267 6.094 1.00 32.54 H new ATOM 0 HB2 LEU A 47 28.197 30.992 8.333 1.00 20.25 H new ATOM 0 HB3 LEU A 47 28.961 30.668 6.789 1.00 20.25 H new ATOM 0 HG LEU A 47 26.268 31.932 6.697 1.00 42.24 H new ATOM 0 HD11 LEU A 47 27.209 34.170 7.109 1.00 12.13 H new ATOM 0 HD12 LEU A 47 27.306 33.136 8.554 1.00 12.13 H new ATOM 0 HD13 LEU A 47 28.759 33.429 7.570 1.00 12.13 H new ATOM 0 HD21 LEU A 47 27.330 33.181 4.854 1.00 43.44 H new ATOM 0 HD22 LEU A 47 28.885 32.399 5.227 1.00 43.44 H new ATOM 0 HD23 LEU A 47 27.513 31.422 4.651 1.00 43.44 H new ATOM 763 N PHE A 48 28.929 27.831 7.185 1.00 1.24 N ATOM 764 CA PHE A 48 29.709 26.734 7.748 1.00 0.31 C ATOM 765 C PHE A 48 31.198 26.931 7.477 1.00 71.34 C ATOM 766 O PHE A 48 31.966 25.969 7.439 1.00 51.01 O ATOM 767 CB PHE A 48 29.245 25.398 7.164 1.00 50.42 C ATOM 768 CG PHE A 48 29.640 25.202 5.728 1.00 70.14 C ATOM 769 CD1 PHE A 48 29.114 26.012 4.734 1.00 41.20 C ATOM 770 CD2 PHE A 48 30.538 24.209 5.372 1.00 3.30 C ATOM 771 CE1 PHE A 48 29.476 25.833 3.413 1.00 71.05 C ATOM 772 CE2 PHE A 48 30.904 24.026 4.051 1.00 1.14 C ATOM 773 CZ PHE A 48 30.372 24.839 3.070 1.00 13.41 C ATOM 0 H PHE A 48 29.225 28.125 6.254 1.00 1.24 H new ATOM 0 HA PHE A 48 29.552 26.725 8.827 1.00 0.31 H new ATOM 0 HB2 PHE A 48 29.660 24.586 7.761 1.00 50.42 H new ATOM 0 HB3 PHE A 48 28.160 25.332 7.246 1.00 50.42 H new ATOM 0 HD1 PHE A 48 28.414 26.792 4.995 1.00 41.20 H new ATOM 0 HD2 PHE A 48 30.957 23.570 6.135 1.00 3.30 H new ATOM 0 HE1 PHE A 48 29.058 26.471 2.648 1.00 71.05 H new ATOM 0 HE2 PHE A 48 31.605 23.248 3.787 1.00 1.14 H new ATOM 0 HZ PHE A 48 30.656 24.698 2.037 1.00 13.41 H new ATOM 783 N SER A 49 31.599 28.184 7.287 1.00 22.32 N ATOM 784 CA SER A 49 32.994 28.507 7.015 1.00 12.34 C ATOM 785 C SER A 49 33.909 27.905 8.078 1.00 74.52 C ATOM 786 O SER A 49 33.946 28.371 9.216 1.00 13.03 O ATOM 787 CB SER A 49 33.187 30.024 6.961 1.00 15.45 C ATOM 788 OG SER A 49 33.440 30.460 5.637 1.00 21.43 O ATOM 0 H SER A 49 30.977 28.992 7.317 1.00 22.32 H new ATOM 0 HA SER A 49 33.258 28.079 6.048 1.00 12.34 H new ATOM 0 HB2 SER A 49 32.297 30.521 7.347 1.00 15.45 H new ATOM 0 HB3 SER A 49 34.017 30.311 7.606 1.00 15.45 H new ATOM 0 HG SER A 49 33.558 31.433 5.630 1.00 21.43 H new ATOM 794 N GLN A 50 34.644 26.865 7.696 1.00 15.31 N ATOM 795 CA GLN A 50 35.558 26.198 8.615 1.00 53.13 C ATOM 796 C GLN A 50 34.796 25.563 9.774 1.00 10.34 C ATOM 797 O GLN A 50 33.568 25.485 9.755 1.00 53.41 O ATOM 798 CB GLN A 50 36.591 27.191 9.151 1.00 21.33 C ATOM 799 CG GLN A 50 38.028 26.729 8.972 1.00 20.41 C ATOM 800 CD GLN A 50 38.911 27.796 8.355 1.00 61.13 C ATOM 801 OE1 GLN A 50 39.750 28.391 9.031 1.00 44.20 O ATOM 802 NE2 GLN A 50 38.727 28.043 7.064 1.00 74.15 N ATOM 0 H GLN A 50 34.624 26.467 6.757 1.00 15.31 H new ATOM 0 HA GLN A 50 36.074 25.409 8.067 1.00 53.13 H new ATOM 0 HB2 GLN A 50 36.460 28.148 8.645 1.00 21.33 H new ATOM 0 HB3 GLN A 50 36.402 27.362 10.211 1.00 21.33 H new ATOM 0 HG2 GLN A 50 38.436 26.440 9.941 1.00 20.41 H new ATOM 0 HG3 GLN A 50 38.044 25.840 8.341 1.00 20.41 H new ATOM 0 HE21 GLN A 50 38.020 27.526 6.542 1.00 74.15 H new ATOM 0 HE22 GLN A 50 39.293 28.750 6.594 1.00 74.15 H new ATOM 811 N SER A 51 35.534 25.109 10.782 1.00 64.15 N ATOM 812 CA SER A 51 34.929 24.476 11.948 1.00 42.24 C ATOM 813 C SER A 51 34.334 25.522 12.886 1.00 25.22 C ATOM 814 O SER A 51 34.734 25.631 14.045 1.00 24.31 O ATOM 815 CB SER A 51 35.967 23.635 12.694 1.00 34.11 C ATOM 816 OG SER A 51 36.633 22.747 11.813 1.00 0.54 O ATOM 0 H SER A 51 36.552 25.168 10.815 1.00 64.15 H new ATOM 0 HA SER A 51 34.126 23.825 11.602 1.00 42.24 H new ATOM 0 HB2 SER A 51 36.694 24.290 13.173 1.00 34.11 H new ATOM 0 HB3 SER A 51 35.479 23.068 13.486 1.00 34.11 H new ATOM 0 HG SER A 51 37.292 22.222 12.314 1.00 0.54 H new ATOM 822 N ALA A 52 33.377 26.289 12.375 1.00 2.54 N ATOM 823 CA ALA A 52 32.726 27.325 13.168 1.00 75.15 C ATOM 824 C ALA A 52 31.332 26.887 13.605 1.00 73.01 C ATOM 825 O ALA A 52 30.937 27.096 14.752 1.00 14.41 O ATOM 826 CB ALA A 52 32.650 28.623 12.378 1.00 53.15 C ATOM 0 H ALA A 52 33.035 26.213 11.417 1.00 2.54 H new ATOM 0 HA ALA A 52 33.323 27.492 14.064 1.00 75.15 H new ATOM 0 HB1 ALA A 52 32.162 29.388 12.982 1.00 53.15 H new ATOM 0 HB2 ALA A 52 33.657 28.952 12.120 1.00 53.15 H new ATOM 0 HB3 ALA A 52 32.077 28.460 11.465 1.00 53.15 H new ATOM 832 N ILE A 53 30.592 26.279 12.684 1.00 63.01 N ATOM 833 CA ILE A 53 29.242 25.811 12.976 1.00 43.33 C ATOM 834 C ILE A 53 28.947 24.501 12.253 1.00 33.21 C ATOM 835 O ILE A 53 28.198 24.474 11.276 1.00 4.15 O ATOM 836 CB ILE A 53 28.186 26.856 12.573 1.00 34.12 C ATOM 837 CG1 ILE A 53 28.480 28.198 13.247 1.00 63.12 C ATOM 838 CG2 ILE A 53 26.792 26.368 12.939 1.00 64.22 C ATOM 839 CD1 ILE A 53 27.455 29.267 12.940 1.00 70.52 C ATOM 0 H ILE A 53 30.904 26.099 11.730 1.00 63.01 H new ATOM 0 HA ILE A 53 29.189 25.649 14.053 1.00 43.33 H new ATOM 0 HB ILE A 53 28.230 26.996 11.493 1.00 34.12 H new ATOM 0 HG12 ILE A 53 28.527 28.051 14.326 1.00 63.12 H new ATOM 0 HG13 ILE A 53 29.463 28.547 12.930 1.00 63.12 H new ATOM 0 HG21 ILE A 53 26.056 27.118 12.648 1.00 64.22 H new ATOM 0 HG22 ILE A 53 26.585 25.434 12.417 1.00 64.22 H new ATOM 0 HG23 ILE A 53 26.735 26.202 14.015 1.00 64.22 H new ATOM 0 HD11 ILE A 53 27.728 30.190 13.451 1.00 70.52 H new ATOM 0 HD12 ILE A 53 27.424 29.443 11.865 1.00 70.52 H new ATOM 0 HD13 ILE A 53 26.474 28.939 13.283 1.00 70.52 H new ATOM 851 N SER A 54 29.539 23.415 12.742 1.00 50.03 N ATOM 852 CA SER A 54 29.341 22.101 12.142 1.00 73.13 C ATOM 853 C SER A 54 27.855 21.809 11.952 1.00 73.33 C ATOM 854 O SER A 54 27.133 21.558 12.916 1.00 4.12 O ATOM 855 CB SER A 54 29.976 21.018 13.015 1.00 64.22 C ATOM 856 OG SER A 54 30.522 21.572 14.200 1.00 74.14 O ATOM 0 H SER A 54 30.159 23.420 13.552 1.00 50.03 H new ATOM 0 HA SER A 54 29.823 22.099 11.164 1.00 73.13 H new ATOM 0 HB2 SER A 54 29.227 20.268 13.272 1.00 64.22 H new ATOM 0 HB3 SER A 54 30.759 20.507 12.454 1.00 64.22 H new ATOM 0 HG SER A 54 30.920 20.859 14.741 1.00 74.14 H new ATOM 862 N GLN A 55 27.407 21.846 10.700 1.00 22.45 N ATOM 863 CA GLN A 55 26.008 21.585 10.383 1.00 55.23 C ATOM 864 C GLN A 55 25.597 20.189 10.838 1.00 73.23 C ATOM 865 O GLN A 55 24.408 19.877 10.924 1.00 44.21 O ATOM 866 CB GLN A 55 25.767 21.737 8.880 1.00 3.53 C ATOM 867 CG GLN A 55 25.995 23.150 8.367 1.00 72.54 C ATOM 868 CD GLN A 55 25.267 23.422 7.065 1.00 21.13 C ATOM 869 OE1 GLN A 55 24.286 24.165 7.033 1.00 54.33 O ATOM 870 NE2 GLN A 55 25.745 22.821 5.982 1.00 30.14 N ATOM 0 H GLN A 55 27.992 22.054 9.891 1.00 22.45 H new ATOM 0 HA GLN A 55 25.399 22.314 10.917 1.00 55.23 H new ATOM 0 HB2 GLN A 55 26.426 21.054 8.344 1.00 3.53 H new ATOM 0 HB3 GLN A 55 24.744 21.437 8.652 1.00 3.53 H new ATOM 0 HG2 GLN A 55 25.663 23.864 9.121 1.00 72.54 H new ATOM 0 HG3 GLN A 55 27.063 23.312 8.223 1.00 72.54 H new ATOM 0 HE21 GLN A 55 26.561 22.213 6.054 1.00 30.14 H new ATOM 0 HE22 GLN A 55 25.296 22.967 5.078 1.00 30.14 H new ATOM 879 N LYS A 56 26.586 19.351 11.127 1.00 55.01 N ATOM 880 CA LYS A 56 26.328 17.988 11.574 1.00 3.11 C ATOM 881 C LYS A 56 26.145 17.936 13.088 1.00 63.04 C ATOM 882 O LYS A 56 25.875 16.877 13.653 1.00 45.23 O ATOM 883 CB LYS A 56 27.477 17.067 11.158 1.00 64.15 C ATOM 884 CG LYS A 56 28.842 17.552 11.613 1.00 1.04 C ATOM 885 CD LYS A 56 29.838 16.409 11.709 1.00 43.11 C ATOM 886 CE LYS A 56 30.900 16.502 10.624 1.00 12.14 C ATOM 887 NZ LYS A 56 31.581 15.197 10.401 1.00 64.31 N ATOM 0 H LYS A 56 27.575 19.592 11.060 1.00 55.01 H new ATOM 0 HA LYS A 56 25.407 17.647 11.102 1.00 3.11 H new ATOM 0 HB2 LYS A 56 27.300 16.072 11.566 1.00 64.15 H new ATOM 0 HB3 LYS A 56 27.479 16.970 10.072 1.00 64.15 H new ATOM 0 HG2 LYS A 56 29.214 18.302 10.915 1.00 1.04 H new ATOM 0 HG3 LYS A 56 28.751 18.039 12.584 1.00 1.04 H new ATOM 0 HD2 LYS A 56 30.315 16.422 12.689 1.00 43.11 H new ATOM 0 HD3 LYS A 56 29.312 15.458 11.624 1.00 43.11 H new ATOM 0 HE2 LYS A 56 30.440 16.835 9.694 1.00 12.14 H new ATOM 0 HE3 LYS A 56 31.638 17.254 10.902 1.00 12.14 H new ATOM 0 HZ1 LYS A 56 32.297 15.302 9.654 1.00 64.31 H new ATOM 0 HZ2 LYS A 56 32.041 14.891 11.282 1.00 64.31 H new ATOM 0 HZ3 LYS A 56 30.881 14.485 10.111 1.00 64.31 H new ATOM 901 N GLU A 57 26.293 19.087 13.737 1.00 71.14 N ATOM 902 CA GLU A 57 26.143 19.172 15.184 1.00 22.25 C ATOM 903 C GLU A 57 25.578 20.528 15.594 1.00 11.00 C ATOM 904 O GLU A 57 25.567 20.877 16.775 1.00 31.54 O ATOM 905 CB GLU A 57 27.489 18.937 15.873 1.00 1.55 C ATOM 906 CG GLU A 57 27.587 17.595 16.577 1.00 23.14 C ATOM 907 CD GLU A 57 28.999 17.272 17.025 1.00 43.32 C ATOM 908 OE1 GLU A 57 29.361 17.644 18.161 1.00 64.25 O ATOM 909 OE2 GLU A 57 29.743 16.649 16.238 1.00 31.12 O ATOM 0 H GLU A 57 26.517 19.973 13.283 1.00 71.14 H new ATOM 0 HA GLU A 57 25.443 18.397 15.497 1.00 22.25 H new ATOM 0 HB2 GLU A 57 28.284 19.007 15.131 1.00 1.55 H new ATOM 0 HB3 GLU A 57 27.659 19.732 16.599 1.00 1.55 H new ATOM 0 HG2 GLU A 57 26.926 17.595 17.444 1.00 23.14 H new ATOM 0 HG3 GLU A 57 27.234 16.811 15.907 1.00 23.14 H new ATOM 916 N TYR A 58 25.112 21.290 14.611 1.00 2.21 N ATOM 917 CA TYR A 58 24.549 22.610 14.868 1.00 34.44 C ATOM 918 C TYR A 58 23.059 22.516 15.180 1.00 21.32 C ATOM 919 O TYR A 58 22.494 21.423 15.240 1.00 40.31 O ATOM 920 CB TYR A 58 24.772 23.527 13.663 1.00 23.33 C ATOM 921 CG TYR A 58 23.719 23.380 12.589 1.00 42.20 C ATOM 922 CD1 TYR A 58 23.222 22.130 12.241 1.00 54.23 C ATOM 923 CD2 TYR A 58 23.220 24.493 11.922 1.00 22.31 C ATOM 924 CE1 TYR A 58 22.260 21.992 11.258 1.00 2.15 C ATOM 925 CE2 TYR A 58 22.257 24.364 10.940 1.00 53.33 C ATOM 926 CZ TYR A 58 21.781 23.112 10.611 1.00 74.01 C ATOM 927 OH TYR A 58 20.822 22.978 9.632 1.00 12.03 O ATOM 0 H TYR A 58 25.113 21.016 13.628 1.00 2.21 H new ATOM 0 HA TYR A 58 25.058 23.031 15.735 1.00 34.44 H new ATOM 0 HB2 TYR A 58 24.790 24.562 14.003 1.00 23.33 H new ATOM 0 HB3 TYR A 58 25.751 23.316 13.232 1.00 23.33 H new ATOM 0 HD1 TYR A 58 23.594 21.251 12.747 1.00 54.23 H new ATOM 0 HD2 TYR A 58 23.591 25.475 12.176 1.00 22.31 H new ATOM 0 HE1 TYR A 58 21.886 21.013 10.998 1.00 2.15 H new ATOM 0 HE2 TYR A 58 21.879 25.239 10.432 1.00 53.33 H new ATOM 0 HH TYR A 58 20.592 23.862 9.277 1.00 12.03 H new ATOM 937 N ASP A 59 22.428 23.667 15.378 1.00 54.33 N ATOM 938 CA ASP A 59 21.002 23.716 15.681 1.00 13.44 C ATOM 939 C ASP A 59 20.213 24.263 14.496 1.00 32.43 C ATOM 940 O ASP A 59 20.774 24.890 13.600 1.00 42.35 O ATOM 941 CB ASP A 59 20.753 24.581 16.919 1.00 11.31 C ATOM 942 CG ASP A 59 20.208 23.780 18.084 1.00 32.12 C ATOM 943 OD1 ASP A 59 19.330 22.921 17.856 1.00 33.43 O ATOM 944 OD2 ASP A 59 20.660 24.011 19.225 1.00 22.41 O ATOM 0 H ASP A 59 22.881 24.580 15.334 1.00 54.33 H new ATOM 0 HA ASP A 59 20.662 22.700 15.882 1.00 13.44 H new ATOM 0 HB2 ASP A 59 21.685 25.061 17.217 1.00 11.31 H new ATOM 0 HB3 ASP A 59 20.051 25.376 16.668 1.00 11.31 H new ATOM 949 N SER A 60 18.906 24.018 14.500 1.00 52.14 N ATOM 950 CA SER A 60 18.039 24.480 13.423 1.00 42.33 C ATOM 951 C SER A 60 17.403 25.822 13.774 1.00 3.44 C ATOM 952 O SER A 60 17.014 26.587 12.892 1.00 33.34 O ATOM 953 CB SER A 60 16.948 23.447 13.138 1.00 64.24 C ATOM 954 OG SER A 60 17.077 22.917 11.830 1.00 61.34 O ATOM 0 H SER A 60 18.425 23.502 15.237 1.00 52.14 H new ATOM 0 HA SER A 60 18.650 24.609 12.530 1.00 42.33 H new ATOM 0 HB2 SER A 60 17.007 22.640 13.868 1.00 64.24 H new ATOM 0 HB3 SER A 60 15.967 23.909 13.252 1.00 64.24 H new ATOM 0 HG SER A 60 16.212 22.961 11.372 1.00 61.34 H new ATOM 960 N SER A 61 17.304 26.101 15.070 1.00 20.24 N ATOM 961 CA SER A 61 16.713 27.349 15.541 1.00 44.14 C ATOM 962 C SER A 61 17.414 28.551 14.917 1.00 44.54 C ATOM 963 O SER A 61 16.807 29.603 14.715 1.00 11.33 O ATOM 964 CB SER A 61 16.793 27.432 17.066 1.00 60.53 C ATOM 965 OG SER A 61 15.605 26.948 17.666 1.00 22.41 O ATOM 0 H SER A 61 17.625 25.480 15.813 1.00 20.24 H new ATOM 0 HA SER A 61 15.666 27.364 15.238 1.00 44.14 H new ATOM 0 HB2 SER A 61 17.645 26.852 17.421 1.00 60.53 H new ATOM 0 HB3 SER A 61 16.962 28.465 17.369 1.00 60.53 H new ATOM 0 HG SER A 61 15.682 27.010 18.641 1.00 22.41 H new ATOM 971 N LEU A 62 18.697 28.388 14.612 1.00 4.24 N ATOM 972 CA LEU A 62 19.484 29.458 14.011 1.00 12.42 C ATOM 973 C LEU A 62 19.311 29.476 12.496 1.00 5.33 C ATOM 974 O LEU A 62 19.542 30.496 11.847 1.00 1.43 O ATOM 975 CB LEU A 62 20.963 29.294 14.366 1.00 24.42 C ATOM 976 CG LEU A 62 21.675 28.096 13.735 1.00 34.53 C ATOM 977 CD1 LEU A 62 22.752 28.564 12.769 1.00 73.22 C ATOM 978 CD2 LEU A 62 22.274 27.203 14.812 1.00 34.42 C ATOM 0 H LEU A 62 19.214 27.524 14.772 1.00 4.24 H new ATOM 0 HA LEU A 62 19.125 30.407 14.410 1.00 12.42 H new ATOM 0 HB2 LEU A 62 21.490 30.201 14.071 1.00 24.42 H new ATOM 0 HB3 LEU A 62 21.049 29.213 15.450 1.00 24.42 H new ATOM 0 HG LEU A 62 20.941 27.515 13.176 1.00 34.53 H new ATOM 0 HD11 LEU A 62 23.248 27.698 12.330 1.00 73.22 H new ATOM 0 HD12 LEU A 62 22.297 29.161 11.979 1.00 73.22 H new ATOM 0 HD13 LEU A 62 23.484 29.168 13.305 1.00 73.22 H new ATOM 0 HD21 LEU A 62 22.776 26.356 14.345 1.00 34.42 H new ATOM 0 HD22 LEU A 62 22.994 27.773 15.399 1.00 34.42 H new ATOM 0 HD23 LEU A 62 21.481 26.839 15.465 1.00 34.42 H new ATOM 990 N ALA A 63 18.902 28.340 11.939 1.00 1.44 N ATOM 991 CA ALA A 63 18.695 28.227 10.501 1.00 43.43 C ATOM 992 C ALA A 63 17.272 28.619 10.119 1.00 31.04 C ATOM 993 O ALA A 63 16.322 28.340 10.851 1.00 11.24 O ATOM 994 CB ALA A 63 18.997 26.811 10.035 1.00 64.02 C ATOM 0 H ALA A 63 18.708 27.486 12.462 1.00 1.44 H new ATOM 0 HA ALA A 63 19.379 28.915 10.005 1.00 43.43 H new ATOM 0 HB1 ALA A 63 18.838 26.740 8.959 1.00 64.02 H new ATOM 0 HB2 ALA A 63 20.034 26.565 10.266 1.00 64.02 H new ATOM 0 HB3 ALA A 63 18.336 26.111 10.546 1.00 64.02 H new ATOM 1000 N THR A 64 17.131 29.268 8.968 1.00 74.43 N ATOM 1001 CA THR A 64 15.824 29.701 8.489 1.00 30.52 C ATOM 1002 C THR A 64 15.827 29.893 6.977 1.00 11.22 C ATOM 1003 O THR A 64 16.114 30.983 6.481 1.00 41.45 O ATOM 1004 CB THR A 64 15.385 31.015 9.162 1.00 41.23 C ATOM 1005 OG1 THR A 64 16.063 31.174 10.414 1.00 50.45 O ATOM 1006 CG2 THR A 64 13.882 31.032 9.388 1.00 54.23 C ATOM 0 H THR A 64 17.906 29.506 8.349 1.00 74.43 H new ATOM 0 HA THR A 64 15.116 28.914 8.750 1.00 30.52 H new ATOM 0 HB THR A 64 15.646 31.841 8.500 1.00 41.23 H new ATOM 0 HG1 THR A 64 15.780 32.012 10.835 1.00 50.45 H new ATOM 0 HG21 THR A 64 13.596 31.970 9.864 1.00 54.23 H new ATOM 0 HG22 THR A 64 13.369 30.940 8.431 1.00 54.23 H new ATOM 0 HG23 THR A 64 13.601 30.198 10.031 1.00 54.23 H new ATOM 1014 N LEU A 65 15.507 28.830 6.249 1.00 62.44 N ATOM 1015 CA LEU A 65 15.473 28.882 4.791 1.00 43.21 C ATOM 1016 C LEU A 65 14.300 28.075 4.245 1.00 52.34 C ATOM 1017 O LEU A 65 14.460 27.275 3.324 1.00 61.14 O ATOM 1018 CB LEU A 65 16.786 28.352 4.211 1.00 14.40 C ATOM 1019 CG LEU A 65 17.987 28.356 5.157 1.00 70.04 C ATOM 1020 CD1 LEU A 65 17.990 27.104 6.021 1.00 71.42 C ATOM 1021 CD2 LEU A 65 19.285 28.465 4.370 1.00 54.30 C ATOM 0 H LEU A 65 15.267 27.921 6.644 1.00 62.44 H new ATOM 0 HA LEU A 65 15.345 29.922 4.492 1.00 43.21 H new ATOM 0 HB2 LEU A 65 16.622 27.330 3.868 1.00 14.40 H new ATOM 0 HB3 LEU A 65 17.038 28.946 3.333 1.00 14.40 H new ATOM 0 HG LEU A 65 17.907 29.224 5.811 1.00 70.04 H new ATOM 0 HD11 LEU A 65 18.852 27.124 6.688 1.00 71.42 H new ATOM 0 HD12 LEU A 65 17.075 27.067 6.612 1.00 71.42 H new ATOM 0 HD13 LEU A 65 18.045 26.222 5.383 1.00 71.42 H new ATOM 0 HD21 LEU A 65 20.129 28.466 5.059 1.00 54.30 H new ATOM 0 HD22 LEU A 65 19.372 27.616 3.692 1.00 54.30 H new ATOM 0 HD23 LEU A 65 19.285 29.391 3.794 1.00 54.30 H new ATOM 1033 N ASP A 66 13.121 28.293 4.817 1.00 42.11 N ATOM 1034 CA ASP A 66 11.920 27.589 4.385 1.00 73.13 C ATOM 1035 C ASP A 66 12.117 26.078 4.465 1.00 41.11 C ATOM 1036 O ASP A 66 12.668 25.464 3.550 1.00 32.51 O ATOM 1037 CB ASP A 66 11.552 27.992 2.955 1.00 33.12 C ATOM 1038 CG ASP A 66 11.177 29.457 2.847 1.00 60.54 C ATOM 1039 OD1 ASP A 66 10.041 29.809 3.230 1.00 12.22 O ATOM 1040 OD2 ASP A 66 12.018 30.251 2.377 1.00 15.42 O ATOM 0 H ASP A 66 12.972 28.952 5.581 1.00 42.11 H new ATOM 0 HA ASP A 66 11.106 27.868 5.054 1.00 73.13 H new ATOM 0 HB2 ASP A 66 12.394 27.785 2.294 1.00 33.12 H new ATOM 0 HB3 ASP A 66 10.718 27.380 2.611 1.00 33.12 H new ATOM 1045 N HIS A 67 11.665 25.485 5.565 1.00 61.42 N ATOM 1046 CA HIS A 67 11.793 24.046 5.766 1.00 72.13 C ATOM 1047 C HIS A 67 10.534 23.319 5.301 1.00 52.23 C ATOM 1048 O HIS A 67 9.415 23.773 5.546 1.00 11.12 O ATOM 1049 CB HIS A 67 12.060 23.736 7.239 1.00 53.53 C ATOM 1050 CG HIS A 67 13.221 24.492 7.808 1.00 1.12 C ATOM 1051 ND1 HIS A 67 14.336 24.980 7.215 1.00 74.21 N flip ATOM 1052 CD2 HIS A 67 13.323 24.822 9.143 1.00 15.20 C flip ATOM 1053 CE1 HIS A 67 15.082 25.592 8.193 1.00 43.23 C flip ATOM 1054 NE2 HIS A 67 14.447 25.483 9.347 1.00 55.00 N flip ATOM 0 H HIS A 67 11.207 25.979 6.331 1.00 61.42 H new ATOM 0 HA HIS A 67 12.636 23.695 5.171 1.00 72.13 H new ATOM 0 HB2 HIS A 67 11.166 23.968 7.819 1.00 53.53 H new ATOM 0 HB3 HIS A 67 12.243 22.667 7.350 1.00 53.53 H new ATOM 0 HD2 HIS A 67 12.596 24.578 9.903 1.00 15.20 H new ATOM 0 HE1 HIS A 67 16.033 26.082 8.043 1.00 43.23 H new ATOM 0 HE2 HIS A 67 14.771 25.848 10.243 1.00 55.00 H new ATOM 1062 N THR A 68 10.723 22.189 4.628 1.00 43.10 N ATOM 1063 CA THR A 68 9.604 21.400 4.127 1.00 1.13 C ATOM 1064 C THR A 68 9.416 20.130 4.949 1.00 35.22 C ATOM 1065 O THR A 68 10.201 19.190 4.843 1.00 24.44 O ATOM 1066 CB THR A 68 9.803 21.017 2.649 1.00 63.11 C ATOM 1067 OG1 THR A 68 9.834 22.196 1.837 1.00 74.33 O ATOM 1068 CG2 THR A 68 8.689 20.097 2.174 1.00 24.32 C ATOM 0 H THR A 68 11.641 21.799 4.417 1.00 43.10 H new ATOM 0 HA THR A 68 8.714 22.022 4.216 1.00 1.13 H new ATOM 0 HB THR A 68 10.752 20.489 2.558 1.00 63.11 H new ATOM 0 HG1 THR A 68 10.661 22.692 2.011 1.00 74.33 H new ATOM 0 HG21 THR A 68 8.851 19.840 1.127 1.00 24.32 H new ATOM 0 HG22 THR A 68 8.687 19.188 2.775 1.00 24.32 H new ATOM 0 HG23 THR A 68 7.729 20.603 2.279 1.00 24.32 H new ATOM 1076 N GLU A 69 8.367 20.110 5.767 1.00 2.42 N ATOM 1077 CA GLU A 69 8.077 18.954 6.607 1.00 72.02 C ATOM 1078 C GLU A 69 7.385 17.857 5.802 1.00 32.22 C ATOM 1079 O GLU A 69 6.422 18.117 5.080 1.00 61.25 O ATOM 1080 CB GLU A 69 7.198 19.363 7.791 1.00 42.42 C ATOM 1081 CG GLU A 69 5.860 19.955 7.381 1.00 2.31 C ATOM 1082 CD GLU A 69 5.553 21.255 8.099 1.00 11.31 C ATOM 1083 OE1 GLU A 69 5.190 21.203 9.292 1.00 64.31 O ATOM 1084 OE2 GLU A 69 5.675 22.325 7.466 1.00 70.12 O ATOM 0 H GLU A 69 7.705 20.880 5.865 1.00 2.42 H new ATOM 0 HA GLU A 69 9.023 18.564 6.983 1.00 72.02 H new ATOM 0 HB2 GLU A 69 7.022 18.491 8.420 1.00 42.42 H new ATOM 0 HB3 GLU A 69 7.737 20.090 8.398 1.00 42.42 H new ATOM 0 HG2 GLU A 69 5.858 20.129 6.305 1.00 2.31 H new ATOM 0 HG3 GLU A 69 5.069 19.234 7.588 1.00 2.31 H new ATOM 1091 N ILE A 70 7.883 16.632 5.932 1.00 52.41 N ATOM 1092 CA ILE A 70 7.314 15.496 5.218 1.00 51.42 C ATOM 1093 C ILE A 70 6.170 14.869 6.008 1.00 72.14 C ATOM 1094 O ILE A 70 6.393 14.076 6.923 1.00 44.22 O ATOM 1095 CB ILE A 70 8.378 14.420 4.933 1.00 61.25 C ATOM 1096 CG1 ILE A 70 9.498 14.997 4.066 1.00 3.40 C ATOM 1097 CG2 ILE A 70 7.743 13.215 4.255 1.00 72.45 C ATOM 1098 CD1 ILE A 70 10.572 15.707 4.860 1.00 5.55 C ATOM 0 H ILE A 70 8.680 16.401 6.525 1.00 52.41 H new ATOM 0 HA ILE A 70 6.933 15.877 4.270 1.00 51.42 H new ATOM 0 HB ILE A 70 8.808 14.095 5.880 1.00 61.25 H new ATOM 0 HG12 ILE A 70 9.955 14.190 3.493 1.00 3.40 H new ATOM 0 HG13 ILE A 70 9.068 15.695 3.348 1.00 3.40 H new ATOM 0 HG21 ILE A 70 8.507 12.463 4.060 1.00 72.45 H new ATOM 0 HG22 ILE A 70 6.977 12.793 4.905 1.00 72.45 H new ATOM 0 HG23 ILE A 70 7.290 13.524 3.313 1.00 72.45 H new ATOM 0 HD11 ILE A 70 11.333 16.090 4.181 1.00 5.55 H new ATOM 0 HD12 ILE A 70 10.128 16.535 5.413 1.00 5.55 H new ATOM 0 HD13 ILE A 70 11.029 15.008 5.560 1.00 5.55 H new ATOM 1110 N LYS A 71 4.942 15.227 5.646 1.00 43.35 N ATOM 1111 CA LYS A 71 3.762 14.697 6.317 1.00 60.41 C ATOM 1112 C LYS A 71 3.201 13.495 5.564 1.00 50.23 C ATOM 1113 O LYS A 71 3.182 13.476 4.333 1.00 74.23 O ATOM 1114 CB LYS A 71 2.689 15.782 6.439 1.00 73.33 C ATOM 1115 CG LYS A 71 2.242 16.347 5.102 1.00 73.05 C ATOM 1116 CD LYS A 71 2.091 17.858 5.157 1.00 32.12 C ATOM 1117 CE LYS A 71 3.208 18.558 4.399 1.00 22.01 C ATOM 1118 NZ LYS A 71 3.058 18.405 2.925 1.00 12.24 N ATOM 0 H LYS A 71 4.739 15.882 4.891 1.00 43.35 H new ATOM 0 HA LYS A 71 4.057 14.372 7.315 1.00 60.41 H new ATOM 0 HB2 LYS A 71 1.824 15.369 6.957 1.00 73.33 H new ATOM 0 HB3 LYS A 71 3.073 16.594 7.057 1.00 73.33 H new ATOM 0 HG2 LYS A 71 2.967 16.081 4.333 1.00 73.05 H new ATOM 0 HG3 LYS A 71 1.292 15.896 4.815 1.00 73.05 H new ATOM 0 HD2 LYS A 71 1.128 18.144 4.734 1.00 32.12 H new ATOM 0 HD3 LYS A 71 2.093 18.187 6.196 1.00 32.12 H new ATOM 0 HE2 LYS A 71 3.213 19.617 4.656 1.00 22.01 H new ATOM 0 HE3 LYS A 71 4.170 18.150 4.711 1.00 22.01 H new ATOM 0 HZ1 LYS A 71 3.756 19.005 2.441 1.00 12.24 H new ATOM 0 HZ2 LYS A 71 3.214 17.411 2.662 1.00 12.24 H new ATOM 0 HZ3 LYS A 71 2.099 18.692 2.642 1.00 12.24 H new ATOM 1132 N ALA A 72 2.745 12.495 6.309 1.00 32.33 N ATOM 1133 CA ALA A 72 2.180 11.292 5.711 1.00 24.55 C ATOM 1134 C ALA A 72 1.092 11.639 4.701 1.00 64.34 C ATOM 1135 O ALA A 72 0.338 12.597 4.869 1.00 45.24 O ATOM 1136 CB ALA A 72 1.625 10.375 6.792 1.00 23.12 C ATOM 0 H ALA A 72 2.756 12.494 7.329 1.00 32.33 H new ATOM 0 HA ALA A 72 2.978 10.771 5.182 1.00 24.55 H new ATOM 0 HB1 ALA A 72 1.206 9.481 6.331 1.00 23.12 H new ATOM 0 HB2 ALA A 72 2.426 10.090 7.474 1.00 23.12 H new ATOM 0 HB3 ALA A 72 0.845 10.897 7.346 1.00 23.12 H new ATOM 1142 N PRO A 73 1.008 10.843 3.624 1.00 73.30 N ATOM 1143 CA PRO A 73 0.015 11.046 2.565 1.00 44.52 C ATOM 1144 C PRO A 73 -1.403 10.732 3.030 1.00 2.32 C ATOM 1145 O PRO A 73 -2.370 11.320 2.546 1.00 64.04 O ATOM 1146 CB PRO A 73 0.452 10.062 1.477 1.00 54.34 C ATOM 1147 CG PRO A 73 1.196 8.998 2.204 1.00 24.53 C ATOM 1148 CD PRO A 73 1.874 9.682 3.359 1.00 4.52 C ATOM 0 HA PRO A 73 -0.020 12.083 2.232 1.00 44.52 H new ATOM 0 HB2 PRO A 73 -0.407 9.652 0.946 1.00 54.34 H new ATOM 0 HB3 PRO A 73 1.083 10.549 0.734 1.00 54.34 H new ATOM 0 HG2 PRO A 73 0.519 8.219 2.555 1.00 24.53 H new ATOM 0 HG3 PRO A 73 1.926 8.517 1.552 1.00 24.53 H new ATOM 0 HD2 PRO A 73 1.946 9.028 4.228 1.00 4.52 H new ATOM 0 HD3 PRO A 73 2.889 9.987 3.105 1.00 4.52 H new ATOM 1156 N PHE A 74 -1.518 9.803 3.973 1.00 40.11 N ATOM 1157 CA PHE A 74 -2.819 9.410 4.503 1.00 24.20 C ATOM 1158 C PHE A 74 -2.661 8.396 5.632 1.00 31.51 C ATOM 1159 O PHE A 74 -1.626 7.741 5.754 1.00 74.33 O ATOM 1160 CB PHE A 74 -3.690 8.822 3.392 1.00 74.35 C ATOM 1161 CG PHE A 74 -2.903 8.128 2.317 1.00 75.50 C ATOM 1162 CD1 PHE A 74 -2.022 7.108 2.635 1.00 25.53 C ATOM 1163 CD2 PHE A 74 -3.047 8.494 0.989 1.00 42.51 C ATOM 1164 CE1 PHE A 74 -1.297 6.467 1.649 1.00 50.41 C ATOM 1165 CE2 PHE A 74 -2.324 7.857 -0.002 1.00 54.42 C ATOM 1166 CZ PHE A 74 -1.448 6.842 0.328 1.00 61.02 C ATOM 0 H PHE A 74 -0.727 9.308 4.386 1.00 40.11 H new ATOM 0 HA PHE A 74 -3.305 10.300 4.902 1.00 24.20 H new ATOM 0 HB2 PHE A 74 -4.394 8.115 3.830 1.00 74.35 H new ATOM 0 HB3 PHE A 74 -4.279 9.621 2.942 1.00 74.35 H new ATOM 0 HD1 PHE A 74 -1.900 6.810 3.666 1.00 25.53 H new ATOM 0 HD2 PHE A 74 -3.732 9.286 0.725 1.00 42.51 H new ATOM 0 HE1 PHE A 74 -0.613 5.673 1.911 1.00 50.41 H new ATOM 0 HE2 PHE A 74 -2.444 8.153 -1.034 1.00 54.42 H new ATOM 0 HZ PHE A 74 -0.882 6.343 -0.445 1.00 61.02 H new ATOM 1176 N ASP A 75 -3.697 8.271 6.456 1.00 10.43 N ATOM 1177 CA ASP A 75 -3.675 7.337 7.575 1.00 33.25 C ATOM 1178 C ASP A 75 -3.153 5.972 7.134 1.00 13.31 C ATOM 1179 O ASP A 75 -3.423 5.524 6.021 1.00 52.45 O ATOM 1180 CB ASP A 75 -5.075 7.193 8.173 1.00 25.14 C ATOM 1181 CG ASP A 75 -5.374 8.256 9.212 1.00 21.11 C ATOM 1182 OD1 ASP A 75 -4.906 8.111 10.361 1.00 30.32 O ATOM 1183 OD2 ASP A 75 -6.073 9.233 8.875 1.00 13.20 O ATOM 0 H ASP A 75 -4.562 8.805 6.369 1.00 10.43 H new ATOM 0 HA ASP A 75 -3.002 7.734 8.335 1.00 33.25 H new ATOM 0 HB2 ASP A 75 -5.815 7.251 7.375 1.00 25.14 H new ATOM 0 HB3 ASP A 75 -5.173 6.207 8.628 1.00 25.14 H new ATOM 1188 N GLY A 76 -2.403 5.318 8.016 1.00 73.44 N ATOM 1189 CA GLY A 76 -1.855 4.012 7.698 1.00 31.23 C ATOM 1190 C GLY A 76 -0.786 3.578 8.681 1.00 3.32 C ATOM 1191 O GLY A 76 -0.839 3.924 9.862 1.00 62.02 O ATOM 0 H GLY A 76 -2.165 5.669 8.944 1.00 73.44 H new ATOM 0 HA2 GLY A 76 -2.659 3.276 7.691 1.00 31.23 H new ATOM 0 HA3 GLY A 76 -1.433 4.033 6.693 1.00 31.23 H new ATOM 1195 N THR A 77 0.189 2.816 8.194 1.00 0.43 N ATOM 1196 CA THR A 77 1.274 2.332 9.038 1.00 11.21 C ATOM 1197 C THR A 77 2.628 2.791 8.510 1.00 31.31 C ATOM 1198 O THR A 77 2.843 2.858 7.299 1.00 22.42 O ATOM 1199 CB THR A 77 1.268 0.795 9.134 1.00 32.44 C ATOM 1200 OG1 THR A 77 0.072 0.349 9.785 1.00 1.15 O ATOM 1201 CG2 THR A 77 2.484 0.295 9.900 1.00 50.25 C ATOM 0 H THR A 77 0.249 2.521 7.219 1.00 0.43 H new ATOM 0 HA THR A 77 1.113 2.752 10.031 1.00 11.21 H new ATOM 0 HB THR A 77 1.304 0.390 8.123 1.00 32.44 H new ATOM 0 HG1 THR A 77 0.075 -0.629 9.840 1.00 1.15 H new ATOM 0 HG21 THR A 77 2.457 -0.793 9.955 1.00 50.25 H new ATOM 0 HG22 THR A 77 3.392 0.611 9.387 1.00 50.25 H new ATOM 0 HG23 THR A 77 2.474 0.709 10.908 1.00 50.25 H new ATOM 1209 N ILE A 78 3.539 3.106 9.425 1.00 13.32 N ATOM 1210 CA ILE A 78 4.873 3.558 9.051 1.00 40.23 C ATOM 1211 C ILE A 78 5.929 2.527 9.433 1.00 1.05 C ATOM 1212 O ILE A 78 5.825 1.871 10.469 1.00 60.32 O ATOM 1213 CB ILE A 78 5.220 4.903 9.714 1.00 33.44 C ATOM 1214 CG1 ILE A 78 6.632 5.341 9.323 1.00 31.22 C ATOM 1215 CG2 ILE A 78 5.093 4.795 11.227 1.00 15.03 C ATOM 1216 CD1 ILE A 78 6.776 6.837 9.154 1.00 1.43 C ATOM 0 H ILE A 78 3.377 3.056 10.431 1.00 13.32 H new ATOM 0 HA ILE A 78 4.870 3.688 7.969 1.00 40.23 H new ATOM 0 HB ILE A 78 4.516 5.657 9.362 1.00 33.44 H new ATOM 0 HG12 ILE A 78 7.333 5.001 10.085 1.00 31.22 H new ATOM 0 HG13 ILE A 78 6.911 4.850 8.391 1.00 31.22 H new ATOM 0 HG21 ILE A 78 5.341 5.754 11.682 1.00 15.03 H new ATOM 0 HG22 ILE A 78 4.070 4.524 11.488 1.00 15.03 H new ATOM 0 HG23 ILE A 78 5.776 4.030 11.596 1.00 15.03 H new ATOM 0 HD11 ILE A 78 7.803 7.075 8.877 1.00 1.43 H new ATOM 0 HD12 ILE A 78 6.100 7.181 8.371 1.00 1.43 H new ATOM 0 HD13 ILE A 78 6.529 7.335 10.092 1.00 1.43 H new ATOM 1228 N GLY A 79 6.949 2.392 8.592 1.00 45.14 N ATOM 1229 CA GLY A 79 8.012 1.441 8.860 1.00 43.12 C ATOM 1230 C GLY A 79 9.164 2.060 9.626 1.00 42.01 C ATOM 1231 O GLY A 79 8.966 2.975 10.425 1.00 23.12 O ATOM 0 H GLY A 79 7.059 2.925 7.729 1.00 45.14 H new ATOM 0 HA2 GLY A 79 7.610 0.603 9.429 1.00 43.12 H new ATOM 0 HA3 GLY A 79 8.381 1.038 7.917 1.00 43.12 H new ATOM 1235 N ASP A 80 10.371 1.559 9.384 1.00 35.11 N ATOM 1236 CA ASP A 80 11.559 2.068 10.058 1.00 41.02 C ATOM 1237 C ASP A 80 12.208 3.185 9.245 1.00 11.23 C ATOM 1238 O ASP A 80 11.684 3.598 8.211 1.00 11.14 O ATOM 1239 CB ASP A 80 12.564 0.939 10.288 1.00 2.45 C ATOM 1240 CG ASP A 80 12.769 0.084 9.053 1.00 33.32 C ATOM 1241 OD1 ASP A 80 13.040 0.655 7.976 1.00 64.13 O ATOM 1242 OD2 ASP A 80 12.656 -1.154 9.162 1.00 23.53 O ATOM 0 H ASP A 80 10.552 0.801 8.726 1.00 35.11 H new ATOM 0 HA ASP A 80 11.254 2.474 11.022 1.00 41.02 H new ATOM 0 HB2 ASP A 80 13.520 1.364 10.594 1.00 2.45 H new ATOM 0 HB3 ASP A 80 12.218 0.310 11.108 1.00 2.45 H new ATOM 1247 N ALA A 81 13.350 3.669 9.722 1.00 54.34 N ATOM 1248 CA ALA A 81 14.071 4.738 9.040 1.00 75.41 C ATOM 1249 C ALA A 81 15.120 4.172 8.089 1.00 32.44 C ATOM 1250 O ALA A 81 15.610 3.058 8.281 1.00 75.41 O ATOM 1251 CB ALA A 81 14.720 5.667 10.054 1.00 61.04 C ATOM 0 H ALA A 81 13.796 3.338 10.578 1.00 54.34 H new ATOM 0 HA ALA A 81 13.354 5.308 8.450 1.00 75.41 H new ATOM 0 HB1 ALA A 81 15.255 6.460 9.531 1.00 61.04 H new ATOM 0 HB2 ALA A 81 13.951 6.106 10.690 1.00 61.04 H new ATOM 0 HB3 ALA A 81 15.420 5.102 10.669 1.00 61.04 H new ATOM 1257 N LEU A 82 15.462 4.945 7.064 1.00 33.44 N ATOM 1258 CA LEU A 82 16.454 4.520 6.083 1.00 11.21 C ATOM 1259 C LEU A 82 17.677 5.431 6.116 1.00 32.43 C ATOM 1260 O LEU A 82 18.811 4.970 5.984 1.00 50.34 O ATOM 1261 CB LEU A 82 15.844 4.517 4.681 1.00 54.22 C ATOM 1262 CG LEU A 82 15.145 3.225 4.255 1.00 34.01 C ATOM 1263 CD1 LEU A 82 14.167 2.770 5.327 1.00 23.11 C ATOM 1264 CD2 LEU A 82 14.429 3.419 2.925 1.00 0.35 C ATOM 0 H LEU A 82 15.067 5.869 6.891 1.00 33.44 H new ATOM 0 HA LEU A 82 16.770 3.508 6.337 1.00 11.21 H new ATOM 0 HB2 LEU A 82 15.125 5.333 4.618 1.00 54.22 H new ATOM 0 HB3 LEU A 82 16.635 4.733 3.962 1.00 54.22 H new ATOM 0 HG LEU A 82 15.901 2.450 4.128 1.00 34.01 H new ATOM 0 HD11 LEU A 82 13.679 1.849 5.007 1.00 23.11 H new ATOM 0 HD12 LEU A 82 14.705 2.591 6.258 1.00 23.11 H new ATOM 0 HD13 LEU A 82 13.415 3.543 5.485 1.00 23.11 H new ATOM 0 HD21 LEU A 82 13.937 2.490 2.637 1.00 0.35 H new ATOM 0 HD22 LEU A 82 13.684 4.208 3.025 1.00 0.35 H new ATOM 0 HD23 LEU A 82 15.153 3.698 2.159 1.00 0.35 H new ATOM 1276 N VAL A 83 17.439 6.726 6.297 1.00 50.24 N ATOM 1277 CA VAL A 83 18.522 7.701 6.352 1.00 72.23 C ATOM 1278 C VAL A 83 18.726 8.216 7.772 1.00 42.15 C ATOM 1279 O VAL A 83 18.078 7.756 8.709 1.00 71.12 O ATOM 1280 CB VAL A 83 18.248 8.896 5.419 1.00 53.14 C ATOM 1281 CG1 VAL A 83 18.024 8.419 3.991 1.00 30.25 C ATOM 1282 CG2 VAL A 83 17.054 9.697 5.915 1.00 22.35 C ATOM 0 H VAL A 83 16.507 7.124 6.408 1.00 50.24 H new ATOM 0 HA VAL A 83 19.426 7.190 6.021 1.00 72.23 H new ATOM 0 HB VAL A 83 19.122 9.547 5.426 1.00 53.14 H new ATOM 0 HG11 VAL A 83 17.832 9.277 3.347 1.00 30.25 H new ATOM 0 HG12 VAL A 83 18.912 7.893 3.640 1.00 30.25 H new ATOM 0 HG13 VAL A 83 17.168 7.745 3.963 1.00 30.25 H new ATOM 0 HG21 VAL A 83 16.875 10.537 5.244 1.00 22.35 H new ATOM 0 HG22 VAL A 83 16.172 9.058 5.939 1.00 22.35 H new ATOM 0 HG23 VAL A 83 17.258 10.071 6.918 1.00 22.35 H new ATOM 1292 N ASN A 84 19.634 9.176 7.922 1.00 54.10 N ATOM 1293 CA ASN A 84 19.925 9.754 9.228 1.00 13.53 C ATOM 1294 C ASN A 84 19.764 11.271 9.200 1.00 12.20 C ATOM 1295 O ASN A 84 19.701 11.878 8.130 1.00 35.14 O ATOM 1296 CB ASN A 84 21.345 9.388 9.667 1.00 55.13 C ATOM 1297 CG ASN A 84 21.443 7.965 10.180 1.00 72.23 C ATOM 1298 OD1 ASN A 84 21.426 7.726 11.387 1.00 11.31 O ATOM 1299 ND2 ASN A 84 21.546 7.012 9.261 1.00 5.14 N ATOM 0 H ASN A 84 20.180 9.569 7.155 1.00 54.10 H new ATOM 0 HA ASN A 84 19.214 9.344 9.945 1.00 13.53 H new ATOM 0 HB2 ASN A 84 22.027 9.516 8.826 1.00 55.13 H new ATOM 0 HB3 ASN A 84 21.670 10.076 10.448 1.00 55.13 H new ATOM 0 HD21 ASN A 84 21.615 6.035 9.545 1.00 5.14 H new ATOM 0 HD22 ASN A 84 21.556 7.257 8.271 1.00 5.14 H new ATOM 1306 N ILE A 85 19.700 11.877 10.382 1.00 63.04 N ATOM 1307 CA ILE A 85 19.548 13.322 10.491 1.00 2.55 C ATOM 1308 C ILE A 85 20.831 14.042 10.084 1.00 31.50 C ATOM 1309 O ILE A 85 21.928 13.504 10.226 1.00 2.20 O ATOM 1310 CB ILE A 85 19.171 13.741 11.924 1.00 30.13 C ATOM 1311 CG1 ILE A 85 18.031 12.866 12.451 1.00 4.41 C ATOM 1312 CG2 ILE A 85 18.778 15.210 11.961 1.00 2.31 C ATOM 1313 CD1 ILE A 85 16.757 12.985 11.645 1.00 22.23 C ATOM 0 H ILE A 85 19.751 11.389 11.276 1.00 63.04 H new ATOM 0 HA ILE A 85 18.743 13.607 9.814 1.00 2.55 H new ATOM 0 HB ILE A 85 20.040 13.601 12.568 1.00 30.13 H new ATOM 0 HG12 ILE A 85 18.354 11.825 12.454 1.00 4.41 H new ATOM 0 HG13 ILE A 85 17.824 13.138 13.486 1.00 4.41 H new ATOM 0 HG21 ILE A 85 18.514 15.491 12.981 1.00 2.31 H new ATOM 0 HG22 ILE A 85 19.616 15.819 11.622 1.00 2.31 H new ATOM 0 HG23 ILE A 85 17.922 15.374 11.307 1.00 2.31 H new ATOM 0 HD11 ILE A 85 15.993 12.338 12.075 1.00 22.23 H new ATOM 0 HD12 ILE A 85 16.410 14.018 11.663 1.00 22.23 H new ATOM 0 HD13 ILE A 85 16.949 12.685 10.615 1.00 22.23 H new ATOM 1325 N GLY A 86 20.682 15.262 9.578 1.00 31.23 N ATOM 1326 CA GLY A 86 21.836 16.036 9.160 1.00 13.23 C ATOM 1327 C GLY A 86 22.483 15.482 7.907 1.00 64.14 C ATOM 1328 O GLY A 86 23.619 15.829 7.581 1.00 73.55 O ATOM 0 H GLY A 86 19.784 15.728 9.450 1.00 31.23 H new ATOM 0 HA2 GLY A 86 21.533 17.068 8.983 1.00 13.23 H new ATOM 0 HA3 GLY A 86 22.569 16.054 9.966 1.00 13.23 H new ATOM 1332 N ASP A 87 21.761 14.617 7.203 1.00 24.04 N ATOM 1333 CA ASP A 87 22.273 14.011 5.980 1.00 52.05 C ATOM 1334 C ASP A 87 21.559 14.577 4.755 1.00 0.12 C ATOM 1335 O ASP A 87 20.332 14.671 4.728 1.00 53.51 O ATOM 1336 CB ASP A 87 22.103 12.492 6.026 1.00 1.01 C ATOM 1337 CG ASP A 87 23.412 11.757 5.816 1.00 3.22 C ATOM 1338 OD1 ASP A 87 24.161 11.585 6.800 1.00 32.03 O ATOM 1339 OD2 ASP A 87 23.689 11.355 4.666 1.00 43.13 O ATOM 0 H ASP A 87 20.819 14.320 7.459 1.00 24.04 H new ATOM 0 HA ASP A 87 23.334 14.247 5.904 1.00 52.05 H new ATOM 0 HB2 ASP A 87 21.679 12.206 6.989 1.00 1.01 H new ATOM 0 HB3 ASP A 87 21.391 12.186 5.260 1.00 1.01 H new ATOM 1344 N TYR A 88 22.337 14.953 3.746 1.00 50.12 N ATOM 1345 CA TYR A 88 21.780 15.513 2.519 1.00 32.21 C ATOM 1346 C TYR A 88 20.835 14.522 1.848 1.00 71.34 C ATOM 1347 O TYR A 88 21.051 13.310 1.894 1.00 60.14 O ATOM 1348 CB TYR A 88 22.902 15.899 1.555 1.00 71.31 C ATOM 1349 CG TYR A 88 22.407 16.507 0.261 1.00 24.45 C ATOM 1350 CD1 TYR A 88 22.202 17.876 0.149 1.00 43.14 C ATOM 1351 CD2 TYR A 88 22.144 15.712 -0.847 1.00 24.11 C ATOM 1352 CE1 TYR A 88 21.749 18.436 -1.030 1.00 12.01 C ATOM 1353 CE2 TYR A 88 21.692 16.263 -2.030 1.00 44.30 C ATOM 1354 CZ TYR A 88 21.495 17.625 -2.117 1.00 5.42 C ATOM 1355 OH TYR A 88 21.045 18.179 -3.293 1.00 12.51 O ATOM 0 H TYR A 88 23.354 14.880 3.753 1.00 50.12 H new ATOM 0 HA TYR A 88 21.213 16.406 2.782 1.00 32.21 H new ATOM 0 HB2 TYR A 88 23.566 16.608 2.049 1.00 71.31 H new ATOM 0 HB3 TYR A 88 23.495 15.013 1.327 1.00 71.31 H new ATOM 0 HD1 TYR A 88 22.400 18.514 0.998 1.00 43.14 H new ATOM 0 HD2 TYR A 88 22.296 14.645 -0.782 1.00 24.11 H new ATOM 0 HE1 TYR A 88 21.595 19.503 -1.100 1.00 12.01 H new ATOM 0 HE2 TYR A 88 21.494 15.630 -2.883 1.00 44.30 H new ATOM 0 HH TYR A 88 20.916 17.472 -3.959 1.00 12.51 H new ATOM 1365 N VAL A 89 19.784 15.045 1.223 1.00 22.15 N ATOM 1366 CA VAL A 89 18.805 14.208 0.540 1.00 5.32 C ATOM 1367 C VAL A 89 18.234 14.917 -0.682 1.00 31.14 C ATOM 1368 O VAL A 89 18.177 16.146 -0.729 1.00 54.14 O ATOM 1369 CB VAL A 89 17.650 13.815 1.479 1.00 31.35 C ATOM 1370 CG1 VAL A 89 18.104 12.752 2.468 1.00 11.24 C ATOM 1371 CG2 VAL A 89 17.115 15.039 2.208 1.00 44.34 C ATOM 0 H VAL A 89 19.589 16.045 1.176 1.00 22.15 H new ATOM 0 HA VAL A 89 19.327 13.306 0.222 1.00 5.32 H new ATOM 0 HB VAL A 89 16.843 13.397 0.878 1.00 31.35 H new ATOM 0 HG11 VAL A 89 17.274 12.487 3.123 1.00 11.24 H new ATOM 0 HG12 VAL A 89 18.434 11.867 1.925 1.00 11.24 H new ATOM 0 HG13 VAL A 89 18.929 13.140 3.066 1.00 11.24 H new ATOM 0 HG21 VAL A 89 16.299 14.742 2.867 1.00 44.34 H new ATOM 0 HG22 VAL A 89 17.913 15.489 2.798 1.00 44.34 H new ATOM 0 HG23 VAL A 89 16.749 15.764 1.481 1.00 44.34 H new ATOM 1381 N SER A 90 17.810 14.134 -1.669 1.00 53.43 N ATOM 1382 CA SER A 90 17.244 14.688 -2.894 1.00 41.53 C ATOM 1383 C SER A 90 15.723 14.762 -2.805 1.00 32.11 C ATOM 1384 O SER A 90 15.142 14.550 -1.742 1.00 31.11 O ATOM 1385 CB SER A 90 17.655 13.839 -4.099 1.00 12.31 C ATOM 1386 OG SER A 90 18.380 14.610 -5.042 1.00 75.21 O ATOM 0 H SER A 90 17.848 13.115 -1.645 1.00 53.43 H new ATOM 0 HA SER A 90 17.632 15.699 -3.020 1.00 41.53 H new ATOM 0 HB2 SER A 90 18.265 12.999 -3.765 1.00 12.31 H new ATOM 0 HB3 SER A 90 16.767 13.420 -4.573 1.00 12.31 H new ATOM 0 HG SER A 90 18.633 14.045 -5.802 1.00 75.21 H new ATOM 1392 N ALA A 91 15.085 15.066 -3.931 1.00 44.00 N ATOM 1393 CA ALA A 91 13.632 15.166 -3.982 1.00 54.41 C ATOM 1394 C ALA A 91 12.976 13.861 -3.545 1.00 55.24 C ATOM 1395 O ALA A 91 13.549 13.095 -2.772 1.00 1.45 O ATOM 1396 CB ALA A 91 13.178 15.546 -5.384 1.00 22.15 C ATOM 0 H ALA A 91 15.552 15.247 -4.820 1.00 44.00 H new ATOM 0 HA ALA A 91 13.321 15.947 -3.288 1.00 54.41 H new ATOM 0 HB1 ALA A 91 12.091 15.617 -5.408 1.00 22.15 H new ATOM 0 HB2 ALA A 91 13.611 16.508 -5.658 1.00 22.15 H new ATOM 0 HB3 ALA A 91 13.507 14.785 -6.092 1.00 22.15 H new ATOM 1402 N SER A 92 11.769 13.615 -4.046 1.00 54.34 N ATOM 1403 CA SER A 92 11.032 12.404 -3.705 1.00 2.15 C ATOM 1404 C SER A 92 11.867 11.161 -3.993 1.00 24.20 C ATOM 1405 O SER A 92 11.568 10.069 -3.506 1.00 54.31 O ATOM 1406 CB SER A 92 9.718 12.343 -4.485 1.00 45.43 C ATOM 1407 OG SER A 92 8.637 11.992 -3.640 1.00 2.12 O ATOM 0 H SER A 92 11.281 14.238 -4.689 1.00 54.34 H new ATOM 0 HA SER A 92 10.810 12.432 -2.638 1.00 2.15 H new ATOM 0 HB2 SER A 92 9.522 13.310 -4.948 1.00 45.43 H new ATOM 0 HB3 SER A 92 9.804 11.615 -5.291 1.00 45.43 H new ATOM 0 HG SER A 92 7.809 11.962 -4.163 1.00 2.12 H new ATOM 1413 N THR A 93 12.917 11.333 -4.790 1.00 63.44 N ATOM 1414 CA THR A 93 13.795 10.226 -5.147 1.00 64.21 C ATOM 1415 C THR A 93 14.472 9.641 -3.912 1.00 71.21 C ATOM 1416 O THR A 93 14.811 8.457 -3.879 1.00 33.12 O ATOM 1417 CB THR A 93 14.878 10.667 -6.150 1.00 10.30 C ATOM 1418 OG1 THR A 93 14.266 11.128 -7.359 1.00 50.45 O ATOM 1419 CG2 THR A 93 15.828 9.521 -6.461 1.00 40.32 C ATOM 0 H THR A 93 13.180 12.229 -5.201 1.00 63.44 H new ATOM 0 HA THR A 93 13.169 9.464 -5.611 1.00 64.21 H new ATOM 0 HB THR A 93 15.450 11.478 -5.700 1.00 10.30 H new ATOM 0 HG1 THR A 93 14.961 11.408 -7.991 1.00 50.45 H new ATOM 0 HG21 THR A 93 16.583 9.857 -7.171 1.00 40.32 H new ATOM 0 HG22 THR A 93 16.314 9.192 -5.543 1.00 40.32 H new ATOM 0 HG23 THR A 93 15.268 8.691 -6.892 1.00 40.32 H new ATOM 1427 N THR A 94 14.665 10.476 -2.897 1.00 55.22 N ATOM 1428 CA THR A 94 15.301 10.043 -1.659 1.00 72.34 C ATOM 1429 C THR A 94 14.273 9.495 -0.676 1.00 51.41 C ATOM 1430 O THR A 94 13.678 10.247 0.096 1.00 21.32 O ATOM 1431 CB THR A 94 16.072 11.195 -0.990 1.00 12.03 C ATOM 1432 OG1 THR A 94 17.236 11.518 -1.760 1.00 24.32 O ATOM 1433 CG2 THR A 94 16.482 10.821 0.426 1.00 3.33 C ATOM 0 H THR A 94 14.390 11.458 -2.908 1.00 55.22 H new ATOM 0 HA THR A 94 16.003 9.253 -1.924 1.00 72.34 H new ATOM 0 HB THR A 94 15.415 12.064 -0.944 1.00 12.03 H new ATOM 0 HG1 THR A 94 18.037 11.393 -1.210 1.00 24.32 H new ATOM 0 HG21 THR A 94 17.025 11.650 0.879 1.00 3.33 H new ATOM 0 HG22 THR A 94 15.592 10.604 1.017 1.00 3.33 H new ATOM 0 HG23 THR A 94 17.123 9.940 0.398 1.00 3.33 H new ATOM 1441 N GLU A 95 14.070 8.182 -0.709 1.00 60.24 N ATOM 1442 CA GLU A 95 13.112 7.535 0.181 1.00 13.14 C ATOM 1443 C GLU A 95 13.757 7.205 1.524 1.00 33.33 C ATOM 1444 O GLU A 95 14.707 6.424 1.596 1.00 53.23 O ATOM 1445 CB GLU A 95 12.565 6.259 -0.462 1.00 1.31 C ATOM 1446 CG GLU A 95 13.640 5.380 -1.080 1.00 2.41 C ATOM 1447 CD GLU A 95 13.256 3.913 -1.095 1.00 11.35 C ATOM 1448 OE1 GLU A 95 12.621 3.477 -2.077 1.00 61.12 O ATOM 1449 OE2 GLU A 95 13.591 3.202 -0.124 1.00 73.43 O ATOM 0 H GLU A 95 14.555 7.546 -1.341 1.00 60.24 H new ATOM 0 HA GLU A 95 12.288 8.228 0.352 1.00 13.14 H new ATOM 0 HB2 GLU A 95 12.027 5.684 0.292 1.00 1.31 H new ATOM 0 HB3 GLU A 95 11.843 6.531 -1.232 1.00 1.31 H new ATOM 0 HG2 GLU A 95 13.833 5.712 -2.100 1.00 2.41 H new ATOM 0 HG3 GLU A 95 14.569 5.503 -0.523 1.00 2.41 H new ATOM 1456 N LEU A 96 13.233 7.804 2.588 1.00 33.34 N ATOM 1457 CA LEU A 96 13.755 7.575 3.931 1.00 63.12 C ATOM 1458 C LEU A 96 12.820 6.675 4.733 1.00 50.04 C ATOM 1459 O LEU A 96 13.231 6.049 5.709 1.00 22.44 O ATOM 1460 CB LEU A 96 13.948 8.906 4.658 1.00 51.40 C ATOM 1461 CG LEU A 96 12.937 10.004 4.328 1.00 41.50 C ATOM 1462 CD1 LEU A 96 13.179 10.551 2.930 1.00 63.12 C ATOM 1463 CD2 LEU A 96 11.516 9.477 4.458 1.00 71.12 C ATOM 0 H LEU A 96 12.447 8.452 2.547 1.00 33.34 H new ATOM 0 HA LEU A 96 14.719 7.075 3.839 1.00 63.12 H new ATOM 0 HB2 LEU A 96 13.914 8.719 5.731 1.00 51.40 H new ATOM 0 HB3 LEU A 96 14.947 9.279 4.431 1.00 51.40 H new ATOM 0 HG LEU A 96 13.068 10.818 5.041 1.00 41.50 H new ATOM 0 HD11 LEU A 96 12.450 11.331 2.713 1.00 63.12 H new ATOM 0 HD12 LEU A 96 14.184 10.968 2.871 1.00 63.12 H new ATOM 0 HD13 LEU A 96 13.077 9.746 2.202 1.00 63.12 H new ATOM 0 HD21 LEU A 96 10.810 10.272 4.219 1.00 71.12 H new ATOM 0 HD22 LEU A 96 11.372 8.645 3.769 1.00 71.12 H new ATOM 0 HD23 LEU A 96 11.347 9.136 5.479 1.00 71.12 H new ATOM 1475 N VAL A 97 11.560 6.614 4.312 1.00 3.24 N ATOM 1476 CA VAL A 97 10.568 5.789 4.989 1.00 22.13 C ATOM 1477 C VAL A 97 9.404 5.457 4.062 1.00 4.01 C ATOM 1478 O VAL A 97 9.110 6.203 3.127 1.00 34.25 O ATOM 1479 CB VAL A 97 10.023 6.486 6.250 1.00 22.52 C ATOM 1480 CG1 VAL A 97 9.188 7.700 5.870 1.00 20.11 C ATOM 1481 CG2 VAL A 97 9.210 5.511 7.089 1.00 53.25 C ATOM 0 H VAL A 97 11.203 7.126 3.505 1.00 3.24 H new ATOM 0 HA VAL A 97 11.070 4.867 5.281 1.00 22.13 H new ATOM 0 HB VAL A 97 10.867 6.828 6.849 1.00 22.52 H new ATOM 0 HG11 VAL A 97 8.811 8.180 6.773 1.00 20.11 H new ATOM 0 HG12 VAL A 97 9.805 8.406 5.314 1.00 20.11 H new ATOM 0 HG13 VAL A 97 8.349 7.385 5.250 1.00 20.11 H new ATOM 0 HG21 VAL A 97 8.833 6.021 7.976 1.00 53.25 H new ATOM 0 HG22 VAL A 97 8.372 5.137 6.502 1.00 53.25 H new ATOM 0 HG23 VAL A 97 9.842 4.676 7.392 1.00 53.25 H new ATOM 1491 N ARG A 98 8.745 4.334 4.326 1.00 30.33 N ATOM 1492 CA ARG A 98 7.613 3.903 3.515 1.00 63.51 C ATOM 1493 C ARG A 98 6.375 3.686 4.380 1.00 12.24 C ATOM 1494 O ARG A 98 6.480 3.429 5.579 1.00 13.53 O ATOM 1495 CB ARG A 98 7.956 2.613 2.766 1.00 2.20 C ATOM 1496 CG ARG A 98 8.132 1.409 3.676 1.00 21.43 C ATOM 1497 CD ARG A 98 9.516 1.385 4.307 1.00 61.42 C ATOM 1498 NE ARG A 98 10.059 0.031 4.382 1.00 21.24 N ATOM 1499 CZ ARG A 98 9.593 -0.903 5.204 1.00 3.41 C ATOM 1500 NH1 ARG A 98 8.582 -0.632 6.016 1.00 34.41 N ATOM 1501 NH2 ARG A 98 10.140 -2.112 5.214 1.00 4.22 N ATOM 0 H ARG A 98 8.976 3.706 5.096 1.00 30.33 H new ATOM 0 HA ARG A 98 7.397 4.689 2.792 1.00 63.51 H new ATOM 0 HB2 ARG A 98 7.167 2.401 2.045 1.00 2.20 H new ATOM 0 HB3 ARG A 98 8.874 2.766 2.198 1.00 2.20 H new ATOM 0 HG2 ARG A 98 7.374 1.430 4.459 1.00 21.43 H new ATOM 0 HG3 ARG A 98 7.975 0.494 3.105 1.00 21.43 H new ATOM 0 HD2 ARG A 98 10.190 2.015 3.726 1.00 61.42 H new ATOM 0 HD3 ARG A 98 9.465 1.811 5.309 1.00 61.42 H new ATOM 0 HE ARG A 98 10.838 -0.211 3.770 1.00 21.24 H new ATOM 0 HH11 ARG A 98 8.159 0.296 6.011 1.00 34.41 H new ATOM 0 HH12 ARG A 98 8.227 -1.351 6.646 1.00 34.41 H new ATOM 0 HH21 ARG A 98 10.919 -2.325 4.590 1.00 4.22 H new ATOM 0 HH22 ARG A 98 9.782 -2.829 5.845 1.00 4.22 H new ATOM 1515 N VAL A 99 5.202 3.794 3.764 1.00 41.32 N ATOM 1516 CA VAL A 99 3.944 3.610 4.477 1.00 61.13 C ATOM 1517 C VAL A 99 3.183 2.401 3.945 1.00 74.30 C ATOM 1518 O VAL A 99 3.206 2.115 2.748 1.00 62.14 O ATOM 1519 CB VAL A 99 3.047 4.858 4.363 1.00 21.42 C ATOM 1520 CG1 VAL A 99 2.539 5.022 2.939 1.00 34.23 C ATOM 1521 CG2 VAL A 99 1.889 4.771 5.346 1.00 70.54 C ATOM 0 H VAL A 99 5.097 4.008 2.772 1.00 41.32 H new ATOM 0 HA VAL A 99 4.195 3.446 5.525 1.00 61.13 H new ATOM 0 HB VAL A 99 3.641 5.737 4.613 1.00 21.42 H new ATOM 0 HG11 VAL A 99 1.907 5.908 2.878 1.00 34.23 H new ATOM 0 HG12 VAL A 99 3.385 5.132 2.261 1.00 34.23 H new ATOM 0 HG13 VAL A 99 1.959 4.143 2.656 1.00 34.23 H new ATOM 0 HG21 VAL A 99 1.265 5.660 5.253 1.00 70.54 H new ATOM 0 HG22 VAL A 99 1.293 3.885 5.128 1.00 70.54 H new ATOM 0 HG23 VAL A 99 2.278 4.706 6.362 1.00 70.54 H new ATOM 1531 N THR A 100 2.506 1.692 4.844 1.00 51.54 N ATOM 1532 CA THR A 100 1.739 0.512 4.466 1.00 35.12 C ATOM 1533 C THR A 100 0.325 0.572 5.035 1.00 64.23 C ATOM 1534 O THR A 100 0.017 1.421 5.870 1.00 60.25 O ATOM 1535 CB THR A 100 2.420 -0.781 4.950 1.00 13.31 C ATOM 1536 OG1 THR A 100 2.726 -0.681 6.346 1.00 74.23 O ATOM 1537 CG2 THR A 100 3.696 -1.046 4.164 1.00 74.54 C ATOM 0 H THR A 100 2.474 1.915 5.839 1.00 51.54 H new ATOM 0 HA THR A 100 1.691 0.501 3.377 1.00 35.12 H new ATOM 0 HB THR A 100 1.732 -1.611 4.788 1.00 13.31 H new ATOM 0 HG1 THR A 100 3.157 -1.508 6.646 1.00 74.23 H new ATOM 0 HG21 THR A 100 4.160 -1.964 4.523 1.00 74.54 H new ATOM 0 HG22 THR A 100 3.456 -1.150 3.106 1.00 74.54 H new ATOM 0 HG23 THR A 100 4.386 -0.213 4.300 1.00 74.54 H new ATOM 1545 N ASN A 101 -0.530 -0.337 4.578 1.00 71.41 N ATOM 1546 CA ASN A 101 -1.912 -0.388 5.042 1.00 2.33 C ATOM 1547 C ASN A 101 -2.606 0.954 4.831 1.00 60.52 C ATOM 1548 O ASN A 101 -2.537 1.843 5.681 1.00 61.55 O ATOM 1549 CB ASN A 101 -1.961 -0.772 6.522 1.00 25.33 C ATOM 1550 CG ASN A 101 -3.170 -1.624 6.859 1.00 41.32 C ATOM 1551 OD1 ASN A 101 -3.676 -2.364 6.015 1.00 62.14 O ATOM 1552 ND2 ASN A 101 -3.638 -1.523 8.096 1.00 35.32 N ATOM 0 H ASN A 101 -0.291 -1.048 3.887 1.00 71.41 H new ATOM 0 HA ASN A 101 -2.437 -1.145 4.459 1.00 2.33 H new ATOM 0 HB2 ASN A 101 -1.053 -1.315 6.784 1.00 25.33 H new ATOM 0 HB3 ASN A 101 -1.977 0.133 7.129 1.00 25.33 H new ATOM 0 HD21 ASN A 101 -4.449 -2.072 8.381 1.00 35.32 H new ATOM 0 HD22 ASN A 101 -3.187 -0.897 8.762 1.00 35.32 H new ATOM 1559 N LEU A 102 -3.277 1.094 3.692 1.00 73.11 N ATOM 1560 CA LEU A 102 -3.986 2.327 3.368 1.00 23.14 C ATOM 1561 C LEU A 102 -5.268 2.031 2.596 1.00 14.54 C ATOM 1562 O LEU A 102 -5.567 0.879 2.291 1.00 73.53 O ATOM 1563 CB LEU A 102 -3.086 3.256 2.550 1.00 70.34 C ATOM 1564 CG LEU A 102 -1.868 2.603 1.894 1.00 14.23 C ATOM 1565 CD1 LEU A 102 -1.459 3.371 0.647 1.00 71.42 C ATOM 1566 CD2 LEU A 102 -0.711 2.528 2.879 1.00 2.13 C ATOM 0 H LEU A 102 -3.345 0.369 2.978 1.00 73.11 H new ATOM 0 HA LEU A 102 -4.253 2.821 4.303 1.00 23.14 H new ATOM 0 HB2 LEU A 102 -3.689 3.719 1.769 1.00 70.34 H new ATOM 0 HB3 LEU A 102 -2.737 4.057 3.201 1.00 70.34 H new ATOM 0 HG LEU A 102 -2.136 1.588 1.600 1.00 14.23 H new ATOM 0 HD11 LEU A 102 -0.591 2.892 0.193 1.00 71.42 H new ATOM 0 HD12 LEU A 102 -2.284 3.375 -0.065 1.00 71.42 H new ATOM 0 HD13 LEU A 102 -1.208 4.397 0.917 1.00 71.42 H new ATOM 0 HD21 LEU A 102 0.148 2.061 2.397 1.00 2.13 H new ATOM 0 HD22 LEU A 102 -0.443 3.534 3.203 1.00 2.13 H new ATOM 0 HD23 LEU A 102 -1.008 1.936 3.744 1.00 2.13 H new ATOM 1578 N ASN A 103 -6.020 3.082 2.284 1.00 50.30 N ATOM 1579 CA ASN A 103 -7.269 2.936 1.545 1.00 11.14 C ATOM 1580 C ASN A 103 -7.006 2.819 0.047 1.00 2.41 C ATOM 1581 O ASN A 103 -5.992 3.290 -0.468 1.00 45.33 O ATOM 1582 CB ASN A 103 -8.191 4.126 1.821 1.00 24.55 C ATOM 1583 CG ASN A 103 -8.066 4.635 3.244 1.00 13.21 C ATOM 1584 OD1 ASN A 103 -7.140 5.563 3.461 1.00 42.24 O flip ATOM 1585 ND2 ASN A 103 -8.794 4.202 4.138 1.00 25.50 N flip ATOM 0 H ASN A 103 -5.786 4.044 2.531 1.00 50.30 H new ATOM 0 HA ASN A 103 -7.756 2.021 1.882 1.00 11.14 H new ATOM 0 HB2 ASN A 103 -7.956 4.933 1.127 1.00 24.55 H new ATOM 0 HB3 ASN A 103 -9.224 3.834 1.632 1.00 24.55 H new ATOM 0 HD21 ASN A 103 -9.492 3.489 3.927 1.00 25.50 H new ATOM 0 HD22 ASN A 103 -8.699 4.556 5.090 1.00 25.50 H new ATOM 1592 N PRO A 104 -7.940 2.178 -0.670 1.00 31.34 N ATOM 1593 CA PRO A 104 -7.832 1.986 -2.118 1.00 62.34 C ATOM 1594 C PRO A 104 -7.995 3.290 -2.890 1.00 52.11 C ATOM 1595 O PRO A 104 -9.114 3.712 -3.184 1.00 61.02 O ATOM 1596 CB PRO A 104 -8.984 1.028 -2.436 1.00 42.32 C ATOM 1597 CG PRO A 104 -9.976 1.255 -1.348 1.00 15.33 C ATOM 1598 CD PRO A 104 -9.174 1.591 -0.120 1.00 53.42 C ATOM 0 HA PRO A 104 -6.852 1.606 -2.406 1.00 62.34 H new ATOM 0 HB2 PRO A 104 -9.415 1.238 -3.415 1.00 42.32 H new ATOM 0 HB3 PRO A 104 -8.645 -0.008 -2.453 1.00 42.32 H new ATOM 0 HG2 PRO A 104 -10.657 2.067 -1.604 1.00 15.33 H new ATOM 0 HG3 PRO A 104 -10.586 0.367 -1.185 1.00 15.33 H new ATOM 0 HD2 PRO A 104 -9.701 2.294 0.525 1.00 53.42 H new ATOM 0 HD3 PRO A 104 -8.965 0.705 0.479 1.00 53.42 H new ATOM 1606 N ILE A 105 -6.875 3.924 -3.216 1.00 44.14 N ATOM 1607 CA ILE A 105 -6.894 5.180 -3.956 1.00 11.22 C ATOM 1608 C ILE A 105 -6.829 4.934 -5.459 1.00 13.01 C ATOM 1609 O ILE A 105 -6.261 3.940 -5.912 1.00 32.14 O ATOM 1610 CB ILE A 105 -5.724 6.094 -3.545 1.00 3.22 C ATOM 1611 CG1 ILE A 105 -5.629 6.184 -2.020 1.00 41.33 C ATOM 1612 CG2 ILE A 105 -5.894 7.477 -4.154 1.00 0.24 C ATOM 1613 CD1 ILE A 105 -6.887 6.712 -1.367 1.00 50.44 C ATOM 0 H ILE A 105 -5.941 3.589 -2.979 1.00 44.14 H new ATOM 0 HA ILE A 105 -7.834 5.675 -3.712 1.00 11.22 H new ATOM 0 HB ILE A 105 -4.796 5.664 -3.922 1.00 3.22 H new ATOM 0 HG12 ILE A 105 -5.409 5.195 -1.619 1.00 41.33 H new ATOM 0 HG13 ILE A 105 -4.792 6.830 -1.754 1.00 41.33 H new ATOM 0 HG21 ILE A 105 -5.060 8.111 -3.855 1.00 0.24 H new ATOM 0 HG22 ILE A 105 -5.916 7.396 -5.241 1.00 0.24 H new ATOM 0 HG23 ILE A 105 -6.828 7.917 -3.804 1.00 0.24 H new ATOM 0 HD11 ILE A 105 -6.748 6.749 -0.287 1.00 50.44 H new ATOM 0 HD12 ILE A 105 -7.097 7.714 -1.740 1.00 50.44 H new ATOM 0 HD13 ILE A 105 -7.723 6.054 -1.603 1.00 50.44 H new ATOM 1625 N TYR A 106 -7.413 5.846 -6.227 1.00 73.11 N ATOM 1626 CA TYR A 106 -7.423 5.729 -7.681 1.00 23.43 C ATOM 1627 C TYR A 106 -7.765 7.065 -8.333 1.00 41.52 C ATOM 1628 O TYR A 106 -8.331 7.109 -9.425 1.00 25.24 O ATOM 1629 CB TYR A 106 -8.428 4.662 -8.121 1.00 1.32 C ATOM 1630 CG TYR A 106 -9.734 4.711 -7.361 1.00 14.45 C ATOM 1631 CD1 TYR A 106 -9.891 4.023 -6.165 1.00 31.35 C ATOM 1632 CD2 TYR A 106 -10.811 5.447 -7.839 1.00 70.44 C ATOM 1633 CE1 TYR A 106 -11.082 4.064 -5.468 1.00 21.44 C ATOM 1634 CE2 TYR A 106 -12.007 5.495 -7.147 1.00 45.24 C ATOM 1635 CZ TYR A 106 -12.137 4.801 -5.963 1.00 34.34 C ATOM 1636 OH TYR A 106 -13.326 4.846 -5.271 1.00 64.12 O ATOM 0 H TYR A 106 -7.886 6.675 -5.868 1.00 73.11 H new ATOM 0 HA TYR A 106 -6.424 5.433 -8.003 1.00 23.43 H new ATOM 0 HB2 TYR A 106 -8.632 4.783 -9.185 1.00 1.32 H new ATOM 0 HB3 TYR A 106 -7.979 3.677 -7.993 1.00 1.32 H new ATOM 0 HD1 TYR A 106 -9.067 3.446 -5.773 1.00 31.35 H new ATOM 0 HD2 TYR A 106 -10.712 5.991 -8.767 1.00 70.44 H new ATOM 0 HE1 TYR A 106 -11.187 3.522 -4.540 1.00 21.44 H new ATOM 0 HE2 TYR A 106 -12.834 6.073 -7.532 1.00 45.24 H new ATOM 0 HH TYR A 106 -13.965 5.410 -5.755 1.00 64.12 H new ATOM 1646 N ALA A 107 -7.414 8.154 -7.656 1.00 21.34 N ATOM 1647 CA ALA A 107 -7.681 9.491 -8.169 1.00 4.42 C ATOM 1648 C ALA A 107 -6.706 10.508 -7.584 1.00 31.11 C ATOM 1649 O ALA A 107 -5.845 11.033 -8.289 1.00 3.43 O ATOM 1650 CB ALA A 107 -9.115 9.897 -7.866 1.00 12.43 C ATOM 0 H ALA A 107 -6.944 8.136 -6.751 1.00 21.34 H new ATOM 0 HA ALA A 107 -7.542 9.473 -9.250 1.00 4.42 H new ATOM 0 HB1 ALA A 107 -9.300 10.898 -8.255 1.00 12.43 H new ATOM 0 HB2 ALA A 107 -9.800 9.192 -8.337 1.00 12.43 H new ATOM 0 HB3 ALA A 107 -9.274 9.892 -6.788 1.00 12.43 H new ATOM 1656 N ASP A 108 -6.848 10.780 -6.291 1.00 42.53 N ATOM 1657 CA ASP A 108 -5.980 11.734 -5.611 1.00 40.51 C ATOM 1658 C ASP A 108 -6.143 13.133 -6.198 1.00 73.20 C ATOM 1659 O ASP A 108 -6.809 13.316 -7.216 1.00 30.12 O ATOM 1660 CB ASP A 108 -4.519 11.291 -5.717 1.00 15.05 C ATOM 1661 CG ASP A 108 -3.672 11.816 -4.574 1.00 23.10 C ATOM 1662 OD1 ASP A 108 -3.979 11.486 -3.409 1.00 4.00 O ATOM 1663 OD2 ASP A 108 -2.703 12.555 -4.843 1.00 41.44 O ATOM 0 H ASP A 108 -7.556 10.353 -5.693 1.00 42.53 H new ATOM 0 HA ASP A 108 -6.268 11.765 -4.560 1.00 40.51 H new ATOM 0 HB2 ASP A 108 -4.472 10.202 -5.730 1.00 15.05 H new ATOM 0 HB3 ASP A 108 -4.104 11.639 -6.663 1.00 15.05 H new ATOM 1668 N GLY A 109 -5.532 14.117 -5.547 1.00 12.04 N ATOM 1669 CA GLY A 109 -5.624 15.487 -6.018 1.00 15.35 C ATOM 1670 C GLY A 109 -4.732 15.749 -7.216 1.00 33.44 C ATOM 1671 O GLY A 109 -4.398 14.830 -7.962 1.00 22.31 O ATOM 0 H GLY A 109 -4.975 13.991 -4.702 1.00 12.04 H new ATOM 0 HA2 GLY A 109 -6.658 15.708 -6.283 1.00 15.35 H new ATOM 0 HA3 GLY A 109 -5.350 16.165 -5.210 1.00 15.35 H new ATOM 1675 N SER A 110 -4.348 17.008 -7.401 1.00 22.44 N ATOM 1676 CA SER A 110 -3.494 17.390 -8.520 1.00 23.33 C ATOM 1677 C SER A 110 -2.032 17.456 -8.089 1.00 61.34 C ATOM 1678 O SER A 110 -1.182 16.747 -8.629 1.00 30.32 O ATOM 1679 CB SER A 110 -3.933 18.742 -9.085 1.00 11.23 C ATOM 1680 OG SER A 110 -2.845 19.417 -9.694 1.00 35.42 O ATOM 0 H SER A 110 -4.615 17.781 -6.791 1.00 22.44 H new ATOM 0 HA SER A 110 -3.592 16.631 -9.296 1.00 23.33 H new ATOM 0 HB2 SER A 110 -4.728 18.594 -9.816 1.00 11.23 H new ATOM 0 HB3 SER A 110 -4.346 19.357 -8.285 1.00 11.23 H new ATOM 0 HG SER A 110 -3.151 20.278 -10.049 1.00 35.42 H new ATOM 1686 N HIS A 111 -1.747 18.312 -7.114 1.00 44.13 N ATOM 1687 CA HIS A 111 -0.387 18.471 -6.610 1.00 55.32 C ATOM 1688 C HIS A 111 -0.372 19.327 -5.347 1.00 62.03 C ATOM 1689 O HIS A 111 0.015 18.861 -4.274 1.00 53.41 O ATOM 1690 CB HIS A 111 0.505 19.104 -7.679 1.00 51.11 C ATOM 1691 CG HIS A 111 1.933 18.660 -7.608 1.00 5.15 C ATOM 1692 ND1 HIS A 111 2.977 19.521 -7.342 1.00 23.53 N ATOM 1693 CD2 HIS A 111 2.488 17.435 -7.767 1.00 12.24 C ATOM 1694 CE1 HIS A 111 4.113 18.845 -7.343 1.00 11.10 C ATOM 1695 NE2 HIS A 111 3.844 17.578 -7.598 1.00 34.33 N ATOM 0 H HIS A 111 -2.439 18.906 -6.657 1.00 44.13 H new ATOM 0 HA HIS A 111 0.000 17.482 -6.363 1.00 55.32 H new ATOM 0 HB2 HIS A 111 0.106 18.861 -8.664 1.00 51.11 H new ATOM 0 HB3 HIS A 111 0.465 20.189 -7.578 1.00 51.11 H new ATOM 0 HD2 HIS A 111 1.963 16.517 -7.986 1.00 12.24 H new ATOM 0 HE1 HIS A 111 5.095 19.259 -7.165 1.00 11.10 H new ATOM 0 HE2 HIS A 111 4.531 16.827 -7.660 1.00 34.33 H new ATOM 1703 N HIS A 112 -0.796 20.579 -5.482 1.00 14.24 N ATOM 1704 CA HIS A 112 -0.832 21.500 -4.350 1.00 53.45 C ATOM 1705 C HIS A 112 0.454 21.407 -3.535 1.00 14.23 C ATOM 1706 O HIS A 112 1.448 20.836 -3.985 1.00 34.33 O ATOM 1707 CB HIS A 112 -2.038 21.200 -3.460 1.00 15.53 C ATOM 1708 CG HIS A 112 -1.950 19.882 -2.756 1.00 64.33 C ATOM 1709 ND1 HIS A 112 -1.161 19.672 -1.644 1.00 73.25 N ATOM 1710 CD2 HIS A 112 -2.559 18.700 -3.012 1.00 3.22 C ATOM 1711 CE1 HIS A 112 -1.289 18.418 -1.247 1.00 2.40 C ATOM 1712 NE2 HIS A 112 -2.130 17.807 -2.060 1.00 51.21 N ATOM 0 H HIS A 112 -1.119 20.980 -6.363 1.00 14.24 H new ATOM 0 HA HIS A 112 -0.922 22.514 -4.739 1.00 53.45 H new ATOM 0 HB2 HIS A 112 -2.138 21.993 -2.718 1.00 15.53 H new ATOM 0 HB3 HIS A 112 -2.942 21.218 -4.069 1.00 15.53 H new ATOM 0 HD2 HIS A 112 -3.252 18.497 -3.815 1.00 3.22 H new ATOM 0 HE1 HIS A 112 -0.790 17.969 -0.401 1.00 2.40 H new ATOM 0 HE2 HIS A 112 -2.415 16.830 -1.993 1.00 51.21 H new ATOM 1720 N HIS A 113 0.429 21.975 -2.332 1.00 32.42 N ATOM 1721 CA HIS A 113 1.592 21.956 -1.453 1.00 2.43 C ATOM 1722 C HIS A 113 1.212 22.388 -0.040 1.00 3.44 C ATOM 1723 O HIS A 113 1.632 21.774 0.941 1.00 35.43 O ATOM 1724 CB HIS A 113 2.687 22.871 -2.003 1.00 14.03 C ATOM 1725 CG HIS A 113 2.212 24.260 -2.303 1.00 31.11 C ATOM 1726 ND1 HIS A 113 1.411 24.564 -3.384 1.00 70.12 N ATOM 1727 CD2 HIS A 113 2.428 25.429 -1.656 1.00 73.11 C ATOM 1728 CE1 HIS A 113 1.156 25.860 -3.390 1.00 25.20 C ATOM 1729 NE2 HIS A 113 1.761 26.408 -2.351 1.00 1.41 N ATOM 0 H HIS A 113 -0.384 22.454 -1.945 1.00 32.42 H new ATOM 0 HA HIS A 113 1.970 20.934 -1.411 1.00 2.43 H new ATOM 0 HB2 HIS A 113 3.502 22.923 -1.281 1.00 14.03 H new ATOM 0 HB3 HIS A 113 3.094 22.430 -2.913 1.00 14.03 H new ATOM 0 HD2 HIS A 113 3.015 25.566 -0.760 1.00 73.11 H new ATOM 0 HE1 HIS A 113 0.555 26.383 -4.120 1.00 25.20 H new ATOM 0 HE2 HIS A 113 1.737 27.398 -2.105 1.00 1.41 H new ATOM 1737 N HIS A 114 0.417 23.449 0.055 1.00 31.21 N ATOM 1738 CA HIS A 114 -0.018 23.964 1.349 1.00 70.40 C ATOM 1739 C HIS A 114 1.179 24.280 2.239 1.00 14.01 C ATOM 1740 O HIS A 114 1.317 23.728 3.332 1.00 74.10 O ATOM 1741 CB HIS A 114 -0.932 22.952 2.043 1.00 40.21 C ATOM 1742 CG HIS A 114 -2.297 22.862 1.435 1.00 54.15 C ATOM 1743 ND1 HIS A 114 -2.848 23.869 0.670 1.00 73.23 N ATOM 1744 CD2 HIS A 114 -3.224 21.878 1.480 1.00 32.54 C ATOM 1745 CE1 HIS A 114 -4.056 23.508 0.273 1.00 3.04 C ATOM 1746 NE2 HIS A 114 -4.308 22.303 0.751 1.00 5.05 N ATOM 0 H HIS A 114 0.061 23.969 -0.747 1.00 31.21 H new ATOM 0 HA HIS A 114 -0.573 24.886 1.177 1.00 70.40 H new ATOM 0 HB2 HIS A 114 -0.463 21.969 2.010 1.00 40.21 H new ATOM 0 HB3 HIS A 114 -1.029 23.223 3.094 1.00 40.21 H new ATOM 0 HD2 HIS A 114 -3.129 20.933 1.994 1.00 32.54 H new ATOM 0 HE1 HIS A 114 -4.723 24.098 -0.338 1.00 3.04 H new ATOM 0 HE2 HIS A 114 -5.167 21.774 0.603 1.00 5.05 H new ATOM 1754 N HIS A 115 2.044 25.171 1.765 1.00 32.10 N ATOM 1755 CA HIS A 115 3.231 25.561 2.519 1.00 62.34 C ATOM 1756 C HIS A 115 2.856 26.446 3.703 1.00 54.22 C ATOM 1757 O HIS A 115 1.746 26.975 3.769 1.00 74.15 O ATOM 1758 CB HIS A 115 4.219 26.293 1.611 1.00 4.14 C ATOM 1759 CG HIS A 115 3.759 27.659 1.203 1.00 1.14 C ATOM 1760 ND1 HIS A 115 4.463 28.808 1.493 1.00 0.20 N ATOM 1761 CD2 HIS A 115 2.659 28.055 0.522 1.00 31.00 C ATOM 1762 CE1 HIS A 115 3.815 29.853 1.009 1.00 24.43 C ATOM 1763 NE2 HIS A 115 2.717 29.423 0.415 1.00 31.30 N ATOM 0 H HIS A 115 1.946 25.637 0.863 1.00 32.10 H new ATOM 0 HA HIS A 115 3.703 24.656 2.901 1.00 62.34 H new ATOM 0 HB2 HIS A 115 5.176 26.379 2.125 1.00 4.14 H new ATOM 0 HB3 HIS A 115 4.390 25.694 0.717 1.00 4.14 H new ATOM 0 HD2 HIS A 115 1.880 27.415 0.135 1.00 31.00 H new ATOM 0 HE1 HIS A 115 4.130 30.883 1.086 1.00 24.43 H new ATOM 0 HE2 HIS A 115 2.024 30.011 -0.048 1.00 31.30 H new ATOM 1771 N HIS A 116 3.788 26.604 4.637 1.00 43.33 N ATOM 1772 CA HIS A 116 3.556 27.426 5.818 1.00 1.52 C ATOM 1773 C HIS A 116 4.757 28.323 6.102 1.00 53.33 C ATOM 1774 O HIS A 116 5.580 28.527 5.210 1.00 71.22 O ATOM 1775 CB HIS A 116 3.268 26.542 7.032 1.00 14.53 C ATOM 1776 CG HIS A 116 2.190 27.079 7.923 1.00 50.13 C ATOM 1777 ND1 HIS A 116 1.397 26.275 8.713 1.00 14.12 N ATOM 1778 CD2 HIS A 116 1.776 28.349 8.145 1.00 21.22 C ATOM 1779 CE1 HIS A 116 0.542 27.026 9.383 1.00 54.32 C ATOM 1780 NE2 HIS A 116 0.751 28.289 9.056 1.00 0.41 N ATOM 0 H HIS A 116 4.712 26.173 4.598 1.00 43.33 H new ATOM 0 HA HIS A 116 2.690 28.059 5.624 1.00 1.52 H new ATOM 0 HB2 HIS A 116 2.982 25.548 6.688 1.00 14.53 H new ATOM 0 HB3 HIS A 116 4.183 26.427 7.612 1.00 14.53 H new ATOM 0 HD2 HIS A 116 2.177 29.243 7.690 1.00 21.22 H new ATOM 0 HE1 HIS A 116 -0.202 26.669 10.080 1.00 54.32 H new ATOM 0 HE2 HIS A 116 0.235 29.089 9.421 1.00 0.41 H new TER 1788 HIS A 116 HETATM 1789 C1 B6D A 117 21.264 36.247 1.642 1.00 55.42 C HETATM 1790 N2 B6D A 117 21.172 36.141 -0.814 1.00 51.34 N HETATM 1791 C3 B6D A 117 21.301 38.376 0.295 1.00 23.25 C HETATM 1792 C4 B6D A 117 20.841 39.155 1.543 1.00 42.13 C HETATM 1793 C5 B6D A 117 21.290 38.441 2.834 1.00 14.14 C HETATM 1794 C6 B6D A 117 20.713 39.052 4.111 1.00 40.53 C HETATM 1795 C7 B6D A 117 20.310 35.526 -1.692 1.00 34.02 C HETATM 1796 C8 B6D A 117 20.973 34.646 -2.780 1.00 51.30 C HETATM 1797 C9 B6D A 117 21.547 42.921 2.061 1.00 52.25 C HETATM 1798 C2 B6D A 117 20.759 36.930 0.357 1.00 64.12 C HETATM 1799 O7 B6D A 117 19.101 35.662 -1.662 1.00 12.44 O HETATM 1800 N4 B6D A 117 21.368 40.527 1.519 1.00 71.44 N HETATM 1801 C10 B6D A 117 20.770 41.593 2.143 1.00 4.12 C HETATM 1802 O10 B6D A 117 19.713 41.521 2.747 1.00 51.21 O HETATM 1803 O5 B6D A 117 20.818 37.037 2.807 1.00 20.54 O HETATM 1804 O3 B6D A 117 20.769 39.052 -0.901 1.00 74.34 O HETATM 0 HN4 B6D A 117 22.233 40.698 1.006 1.00 71.44 H new HETATM 0 HN2 B6D A 117 22.172 36.043 -0.988 1.00 51.34 H new HETATM 0 H9B B6D A 117 22.526 42.799 2.525 1.00 52.25 H new HETATM 0 H9A B6D A 117 21.674 43.205 1.016 1.00 52.25 H new HETATM 0 H9 B6D A 117 20.992 43.700 2.584 1.00 52.25 H new HETATM 0 H8B B6D A 117 21.640 35.258 -3.387 1.00 51.30 H new HETATM 0 H8A B6D A 117 21.544 33.849 -2.305 1.00 51.30 H new HETATM 0 H8 B6D A 117 20.202 34.211 -3.416 1.00 51.30 H new HETATM 0 H6B B6D A 117 21.028 40.092 4.191 1.00 40.53 H new HETATM 0 H6A B6D A 117 19.625 39.004 4.078 1.00 40.53 H new HETATM 0 H6 B6D A 117 21.074 38.496 4.976 1.00 40.53 H new HETATM 0 H5 B6D A 117 22.376 38.535 2.856 1.00 14.14 H new HETATM 0 H4 B6D A 117 19.752 39.195 1.530 1.00 42.13 H new HETATM 0 H3 B6D A 117 22.390 38.345 0.254 1.00 23.25 H new HETATM 0 H2 B6D A 117 19.670 36.980 0.359 1.00 64.12 H new HETATM 1821 C1 A2G A 118 21.775 39.753 -1.739 1.00 65.31 C HETATM 1822 C2 A2G A 118 21.112 40.957 -2.426 1.00 31.12 C HETATM 1823 C3 A2G A 118 19.952 40.437 -3.297 1.00 23.30 C HETATM 1824 C4 A2G A 118 20.500 39.451 -4.419 1.00 4.12 C HETATM 1825 C5 A2G A 118 21.335 38.359 -3.781 1.00 75.41 C HETATM 1826 C6 A2G A 118 22.005 37.356 -4.730 1.00 10.20 C HETATM 1827 C7 A2G A 118 20.491 43.284 -1.755 1.00 15.24 C HETATM 1828 C8 A2G A 118 20.121 44.199 -0.573 1.00 13.40 C HETATM 1829 O A2G A 118 22.329 38.882 -2.803 1.00 35.21 O HETATM 1830 O3 A2G A 118 19.210 41.522 -3.864 1.00 64.41 O HETATM 1831 O4 A2G A 118 21.369 40.221 -5.328 1.00 73.34 O HETATM 1832 O6 A2G A 118 23.062 36.658 -4.064 1.00 61.21 O HETATM 1833 O7 A2G A 118 20.571 43.730 -2.887 1.00 75.13 O HETATM 1834 N2 A2G A 118 20.693 41.962 -1.440 1.00 35.23 N HETATM 0 HO3 A2G A 118 18.480 41.167 -4.414 1.00 64.41 H new HETATM 0 HN2 A2G A 118 20.545 41.664 -0.476 1.00 35.23 H new HETATM 0 H8B A2G A 118 19.196 43.848 -0.117 1.00 13.40 H new HETATM 0 H8A A2G A 118 20.921 44.179 0.167 1.00 13.40 H new HETATM 0 H8 A2G A 118 19.984 45.219 -0.932 1.00 13.40 H new HETATM 0 H6 A2G A 118 22.400 37.880 -5.601 1.00 10.20 H new HETATM 0 H5 A2G A 118 20.574 37.783 -3.254 1.00 75.41 H new HETATM 0 H4 A2G A 118 19.662 39.007 -4.956 1.00 4.12 H new HETATM 0 H3 A2G A 118 19.267 39.874 -2.663 1.00 23.30 H new HETATM 0 H2 A2G A 118 21.823 41.469 -3.074 1.00 31.12 H new HETATM 0 H15 A2G A 118 23.361 37.179 -3.290 1.00 61.21 H new HETATM 0 H14 A2G A 118 21.265 36.643 -5.095 1.00 10.20 H new HETATM 1848 C1 A2G A 119 21.250 39.874 -6.768 1.00 62.43 C HETATM 1849 C2 A2G A 119 22.562 40.227 -7.484 1.00 13.11 C HETATM 1850 C3 A2G A 119 22.813 41.737 -7.311 1.00 44.52 C HETATM 1851 C4 A2G A 119 21.633 42.575 -7.973 1.00 23.23 C HETATM 1852 C5 A2G A 119 20.300 42.103 -7.429 1.00 5.13 C HETATM 1853 C6 A2G A 119 19.042 42.756 -8.017 1.00 4.24 C HETATM 1854 C7 A2G A 119 24.629 38.862 -7.824 1.00 3.41 C HETATM 1855 C8 A2G A 119 25.649 37.928 -7.144 1.00 51.01 C HETATM 1856 O A2G A 119 20.160 40.620 -7.440 1.00 61.41 O HETATM 1857 O3 A2G A 119 24.088 42.110 -7.846 1.00 40.42 O HETATM 1858 O4 A2G A 119 21.650 42.331 -9.427 1.00 32.42 O HETATM 1859 O6 A2G A 119 17.926 42.587 -7.136 1.00 14.14 O HETATM 1860 O7 A2G A 119 24.710 39.110 -9.016 1.00 33.13 O HETATM 1861 N2 A2G A 119 23.671 39.395 -6.997 1.00 32.54 N HETATM 0 HO3 A2G A 119 24.224 43.073 -7.726 1.00 40.42 H new HETATM 0 HN2 A2G A 119 23.732 39.204 -5.997 1.00 32.54 H new HETATM 0 H8B A2G A 119 26.184 38.476 -6.369 1.00 51.01 H new HETATM 0 H8A A2G A 119 25.126 37.083 -6.696 1.00 51.01 H new HETATM 0 H8 A2G A 119 26.359 37.563 -7.886 1.00 51.01 H new HETATM 0 H6 A2G A 119 18.816 42.314 -8.987 1.00 4.24 H new HETATM 0 H5 A2G A 119 20.347 42.458 -6.399 1.00 5.13 H new HETATM 0 H4 A2G A 119 21.767 43.634 -7.750 1.00 23.23 H new HETATM 0 H3 A2G A 119 22.830 41.965 -6.245 1.00 44.52 H new HETATM 0 H2 A2G A 119 22.488 40.011 -8.550 1.00 13.11 H new HETATM 0 H15 A2G A 119 17.134 43.011 -7.527 1.00 14.14 H new HETATM 0 H14 A2G A 119 19.222 43.818 -8.185 1.00 4.24 H new HETATM 1875 C1 A2G A 120 21.559 43.546 -10.276 1.00 74.25 C HETATM 1876 C2 A2G A 120 20.903 43.178 -11.616 1.00 73.45 C HETATM 1877 C3 A2G A 120 21.770 42.103 -12.300 1.00 12.43 C HETATM 1878 C4 A2G A 120 23.228 42.670 -12.588 1.00 24.40 C HETATM 1879 C5 A2G A 120 23.824 43.228 -11.313 1.00 51.40 C HETATM 1880 C6 A2G A 120 25.207 43.885 -11.425 1.00 0.02 C HETATM 1881 C7 A2G A 120 18.501 43.636 -11.091 1.00 34.01 C HETATM 1882 C8 A2G A 120 17.091 43.022 -10.997 1.00 54.12 C HETATM 1883 O A2G A 120 22.890 44.125 -10.577 1.00 62.52 O HETATM 1884 O3 A2G A 120 21.145 41.622 -13.494 1.00 53.25 O HETATM 1885 O4 A2G A 120 23.114 43.769 -13.563 1.00 54.42 O HETATM 1886 O6 A2G A 120 25.833 43.969 -10.141 1.00 14.43 O HETATM 1887 O7 A2G A 120 18.676 44.827 -10.896 1.00 42.33 O HETATM 1888 N2 A2G A 120 19.507 42.761 -11.423 1.00 64.13 N HETATM 0 HN2 A2G A 120 19.274 41.775 -11.541 1.00 64.13 H new HETATM 0 H8B A2G A 120 16.817 42.591 -11.960 1.00 54.12 H new HETATM 0 H8A A2G A 120 17.084 42.243 -10.235 1.00 54.12 H new HETATM 0 H8 A2G A 120 16.373 43.798 -10.730 1.00 54.12 H new HETATM 0 H6 A2G A 120 25.108 44.883 -11.852 1.00 0.02 H new HETATM 0 H5 A2G A 120 23.989 42.319 -10.735 1.00 51.40 H new HETATM 0 H4 A2G A 120 23.862 41.870 -12.970 1.00 24.40 H new HETATM 0 H3 A2G A 120 21.868 41.254 -11.624 1.00 12.43 H new HETATM 0 H2 A2G A 120 20.857 44.047 -12.272 1.00 73.45 H new HETATM 0 H15 A2G A 120 26.714 44.389 -10.233 1.00 14.43 H new HETATM 0 H14 A2G A 120 25.835 43.308 -12.104 1.00 0.02 H new HETATM 1901 C1 A2G A 121 24.235 43.881 -14.532 1.00 20.15 C HETATM 1902 C2 A2G A 121 24.349 45.338 -15.008 1.00 21.24 C HETATM 1903 C3 A2G A 121 23.017 45.733 -15.674 1.00 64.01 C HETATM 1904 C4 A2G A 121 22.734 44.807 -16.936 1.00 42.24 C HETATM 1905 C5 A2G A 121 22.817 43.350 -16.535 1.00 73.50 C HETATM 1906 C6 A2G A 121 22.640 42.311 -17.652 1.00 15.42 C HETATM 1907 C7 A2G A 121 25.959 46.834 -13.815 1.00 42.14 C HETATM 1908 C8 A2G A 121 26.136 47.813 -12.639 1.00 63.22 C HETATM 1909 O A2G A 121 24.031 43.036 -15.731 1.00 63.21 O HETATM 1910 O3 A2G A 121 23.011 47.121 -16.026 1.00 21.53 O HETATM 1911 O4 A2G A 121 23.777 45.067 -17.945 1.00 44.42 O HETATM 1912 O6 A2G A 121 21.261 41.967 -17.810 1.00 73.45 O HETATM 1913 O7 A2G A 121 26.864 46.649 -14.614 1.00 31.51 O HETATM 1914 N2 A2G A 121 24.730 46.226 -13.902 1.00 1.55 N HETATM 0 HO3 A2G A 121 22.156 47.348 -16.449 1.00 21.53 H new HETATM 0 HN2 A2G A 121 24.049 46.400 -13.163 1.00 1.55 H new HETATM 0 H8B A2G A 121 25.403 48.615 -12.720 1.00 63.22 H new HETATM 0 H8A A2G A 121 25.990 47.282 -11.698 1.00 63.22 H new HETATM 0 H8 A2G A 121 27.141 48.235 -12.665 1.00 63.22 H new HETATM 0 H6 A2G A 121 23.218 41.417 -17.419 1.00 15.42 H new HETATM 0 H5 A2G A 121 21.929 43.246 -15.912 1.00 73.50 H new HETATM 0 H4 A2G A 121 21.741 45.023 -17.331 1.00 42.24 H new HETATM 0 H3 A2G A 121 22.211 45.578 -14.957 1.00 64.01 H new HETATM 0 H2 A2G A 121 25.144 45.440 -15.746 1.00 21.24 H new HETATM 0 H15 A2G A 121 21.169 41.305 -18.527 1.00 73.45 H new HETATM 0 H14 A2G A 121 23.030 42.708 -18.589 1.00 15.42 H new HETATM 1928 C1 A2G A 122 23.289 45.229 -19.339 1.00 40.43 C HETATM 1929 C2 A2G A 122 24.422 44.877 -20.316 1.00 11.21 C HETATM 1930 C3 A2G A 122 25.606 45.824 -20.043 1.00 14.11 C HETATM 1931 C4 A2G A 122 25.175 47.335 -20.291 1.00 12.01 C HETATM 1932 C5 A2G A 122 23.930 47.653 -19.488 1.00 23.31 C HETATM 1933 C6 A2G A 122 23.330 49.055 -19.665 1.00 63.24 C HETATM 1934 C7 A2G A 122 25.111 42.687 -21.307 1.00 31.11 C HETATM 1935 C8 A2G A 122 25.399 41.203 -21.011 1.00 35.15 C HETATM 1936 O A2G A 122 22.867 46.619 -19.630 1.00 71.32 O HETATM 1937 O3 A2G A 122 26.744 45.465 -20.834 1.00 21.21 O HETATM 1938 O4 A2G A 122 24.854 47.498 -21.721 1.00 2.25 O HETATM 1939 O6 A2G A 122 24.171 50.045 -19.066 1.00 73.31 O HETATM 1940 O7 A2G A 122 25.198 43.124 -22.442 1.00 64.41 O HETATM 1941 N2 A2G A 122 24.782 43.456 -20.217 1.00 21.20 N HETATM 0 HO4 A2G A 122 23.911 47.276 -21.872 1.00 2.25 H new HETATM 0 HO3 A2G A 122 27.482 46.081 -20.644 1.00 21.21 H new HETATM 0 HN2 A2G A 122 24.788 43.020 -19.295 1.00 21.20 H new HETATM 0 H8B A2G A 122 26.237 41.126 -20.318 1.00 35.15 H new HETATM 0 H8A A2G A 122 24.517 40.743 -20.566 1.00 35.15 H new HETATM 0 H8 A2G A 122 25.648 40.688 -21.939 1.00 35.15 H new HETATM 0 H6 A2G A 122 22.339 49.091 -19.213 1.00 63.24 H new HETATM 0 H5 A2G A 122 24.319 47.640 -18.470 1.00 23.31 H new HETATM 0 H4 A2G A 122 25.986 47.999 -19.991 1.00 12.01 H new HETATM 0 H3 A2G A 122 25.895 45.724 -18.997 1.00 14.11 H new HETATM 0 H2 A2G A 122 24.098 45.022 -21.347 1.00 11.21 H new HETATM 0 H15 A2G A 122 23.773 50.932 -19.191 1.00 73.31 H new HETATM 0 H14 A2G A 122 23.205 49.271 -20.726 1.00 63.24 H new HETATM 1955 C2 BGC A 123 20.533 39.737 -14.933 1.00 71.32 C HETATM 1956 C3 BGC A 123 21.024 38.556 -15.796 1.00 33.33 C HETATM 1957 C4 BGC A 123 22.408 38.811 -16.422 1.00 70.51 C HETATM 1958 C5 BGC A 123 23.420 39.273 -15.359 1.00 62.21 C HETATM 1959 C6 BGC A 123 24.824 39.594 -15.889 1.00 54.10 C HETATM 1960 C1 BGC A 123 21.620 40.331 -14.013 1.00 3.31 C HETATM 1961 O2 BGC A 123 19.464 39.265 -14.095 1.00 20.12 O HETATM 1962 O3 BGC A 123 20.076 38.368 -16.863 1.00 4.13 O HETATM 1963 O4 BGC A 123 22.882 37.574 -16.986 1.00 51.40 O HETATM 1964 O5 BGC A 123 22.877 40.512 -14.767 1.00 1.02 O HETATM 1965 O6 BGC A 123 25.719 38.551 -15.479 1.00 1.14 O HETATM 0 H6C2 BGC A 123 24.809 39.673 -16.976 1.00 54.10 H new HETATM 0 H6C1 BGC A 123 25.163 40.556 -15.504 1.00 54.10 H new HETATM 0 HD BGC A 123 23.681 37.746 -17.527 1.00 51.40 H new HETATM 0 HC BGC A 123 20.365 37.622 -17.430 1.00 4.13 H new HETATM 0 HB BGC A 123 19.137 40.001 -13.536 1.00 20.12 H new HETATM 0 H6 BGC A 123 26.620 38.743 -15.813 1.00 1.14 H new HETATM 0 H5 BGC A 123 23.542 38.447 -14.658 1.00 62.21 H new HETATM 0 H4 BGC A 123 22.313 39.589 -17.180 1.00 70.51 H new HETATM 0 H3 BGC A 123 21.110 37.680 -15.152 1.00 33.33 H new HETATM 0 H2 BGC A 123 20.223 40.524 -15.621 1.00 71.32 H new