USER MOD reduce.3.24.130724 H: found=0, std=0, add=1053, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1056 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 HIS : no HD1:sc= -1.3 X(o=-0.05,f=0.38) USER MOD Set 1.2: A 103 THR OG1 : rot 89:sc= 1.25 USER MOD Set 2.1: A 102 MET CE :methyl 156:sc= -0.123 (180deg=-0.749) USER MOD Set 2.2: A 106 GLN : amide:sc= 0.93 K(o=0.81,f=-0.12) USER MOD Set 3.1: A 59 MET CE :methyl -113:sc= 0 (180deg=-1.34) USER MOD Set 3.2: B 256 SER OG : rot 1:sc= 0.263 USER MOD Set 4.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 39 THR OG1 : rot 180:sc= -0.245 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -173:sc= -0.631 (180deg=-0.659) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= -1.7 F(o=-3.3!,f=-1.7) USER MOD Single : A 23 SER OG : rot 93:sc= 1.17 USER MOD Single : A 31 SER OG : rot -78:sc= 1.16 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0615 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= -0.0617 (180deg=-0.0617) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=-4.6e-05) USER MOD Single : A 43 SER OG : rot -87:sc= -1.57! USER MOD Single : A 44 THR OG1 : rot -5:sc= -0.711! USER MOD Single : A 47 LYS NZ :NH3+ -169:sc= 1.31 (180deg=0.94) USER MOD Single : A 49 GLN : amide:sc= 1.11 K(o=1.1,f=-0.15) USER MOD Single : A 51 THR OG1 : rot -44:sc= -0.7 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 150:sc= -3.05! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 155:sc= 1.96 (180deg=0.792) USER MOD Single : A 69 SER OG : rot 180:sc= 0.00319 USER MOD Single : A 70 LYS NZ :NH3+ -163:sc= -0.0955 (180deg=-0.391) USER MOD Single : A 71 LYS NZ :NH3+ -164:sc= -0.0243 (180deg=-0.305) USER MOD Single : A 73 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00741) USER MOD Single : A 75 ASN : amide:sc=-0.00629 K(o=-0.0063,f=-0.64) USER MOD Single : A 78 ASN : amide:sc= -1.43 K(o=-1.4,f=-20!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN :FLIP amide:sc= -0.318 F(o=-2.2,f=-0.32) USER MOD Single : A 87 HIS : no HD1:sc= -0.0961 X(o=-0.096,f=0) USER MOD Single : A 88 MET CE :methyl -143:sc= -1.46 (180deg=-2.42) USER MOD Single : A 90 SER OG : rot 180:sc= -0.0652 USER MOD Single : A 92 ASN : amide:sc= -0.0144 K(o=-0.014,f=-3.6!) USER MOD Single : A 93 ASN : amide:sc= 0.211 K(o=0.21,f=-9.9!) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -172:sc= -1.64 (180deg=-2.35) USER MOD Single : A 99 ASN :FLIP amide:sc= -1.45 F(o=-3.5!,f=-1.4) USER MOD Single : A 101 LYS NZ :NH3+ -176:sc= 1.19 (180deg=1.17) USER MOD Single : A 105 GLN :FLIP amide:sc= -2.16 F(o=-2.7!,f=-2.2) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 168:sc= -0.0194 (180deg=-0.15) USER MOD Single : B 246 TYR OH : rot 180:sc= 0 USER MOD Single : B 250 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 252 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 18.505 -4.144 2.135 1.00 2.67 N ATOM 2 CA PRO A 1 17.902 -4.950 3.206 1.00 2.00 C ATOM 3 C PRO A 1 16.516 -4.433 3.585 1.00 1.62 C ATOM 4 O PRO A 1 16.392 -3.388 4.226 1.00 2.41 O ATOM 5 CB PRO A 1 18.831 -4.911 4.408 1.00 2.55 C ATOM 6 CG PRO A 1 20.087 -4.291 3.881 1.00 3.07 C ATOM 7 CD PRO A 1 19.953 -4.225 2.370 1.00 3.14 C ATOM 0 H2 PRO A 1 18.178 -3.178 2.170 1.00 2.67 H new ATOM 0 H3 PRO A 1 18.259 -4.509 1.215 1.00 2.67 H new ATOM 0 HA PRO A 1 17.774 -5.975 2.857 1.00 2.00 H new ATOM 0 HB2 PRO A 1 18.406 -4.321 5.221 1.00 2.55 H new ATOM 0 HB3 PRO A 1 19.015 -5.911 4.802 1.00 2.55 H new ATOM 0 HG2 PRO A 1 20.229 -3.294 4.299 1.00 3.07 H new ATOM 0 HG3 PRO A 1 20.957 -4.883 4.165 1.00 3.07 H new ATOM 0 HD2 PRO A 1 20.471 -3.357 1.963 1.00 3.14 H new ATOM 0 HD3 PRO A 1 20.384 -5.106 1.894 1.00 3.14 H new ATOM 17 N SER A 2 15.486 -5.163 3.146 1.00 0.89 N ATOM 18 CA SER A 2 14.087 -4.895 3.503 1.00 0.52 C ATOM 19 C SER A 2 13.519 -3.652 2.814 1.00 0.49 C ATOM 20 O SER A 2 12.348 -3.625 2.442 1.00 1.09 O ATOM 21 CB SER A 2 13.928 -4.778 5.012 1.00 0.74 C ATOM 22 OG SER A 2 14.373 -5.958 5.664 1.00 1.40 O ATOM 0 H SER A 2 15.600 -5.965 2.526 1.00 0.89 H new ATOM 0 HA SER A 2 13.511 -5.748 3.143 1.00 0.52 H new ATOM 0 HB2 SER A 2 14.496 -3.921 5.376 1.00 0.74 H new ATOM 0 HB3 SER A 2 12.882 -4.595 5.258 1.00 0.74 H new ATOM 0 HG SER A 2 14.262 -5.858 6.633 1.00 1.40 H new ATOM 28 N HIS A 3 14.348 -2.636 2.623 1.00 0.35 N ATOM 29 CA HIS A 3 13.891 -1.365 2.073 1.00 0.24 C ATOM 30 C HIS A 3 13.888 -1.387 0.547 1.00 0.16 C ATOM 31 O HIS A 3 13.950 -0.344 -0.092 1.00 0.19 O ATOM 32 CB HIS A 3 14.785 -0.212 2.551 1.00 0.32 C ATOM 33 CG HIS A 3 14.634 0.169 3.992 1.00 0.71 C ATOM 34 ND1 HIS A 3 15.001 1.405 4.481 1.00 1.12 N ATOM 35 CD2 HIS A 3 14.172 -0.526 5.055 1.00 1.43 C ATOM 36 CE1 HIS A 3 14.774 1.449 5.780 1.00 1.64 C ATOM 37 NE2 HIS A 3 14.272 0.289 6.153 1.00 1.85 N ATOM 0 H HIS A 3 15.344 -2.666 2.841 1.00 0.35 H new ATOM 0 HA HIS A 3 12.872 -1.211 2.428 1.00 0.24 H new ATOM 0 HB2 HIS A 3 15.825 -0.485 2.373 1.00 0.32 H new ATOM 0 HB3 HIS A 3 14.576 0.665 1.938 1.00 0.32 H new ATOM 0 HD2 HIS A 3 13.794 -1.537 5.042 1.00 1.43 H new ATOM 0 HE1 HIS A 3 14.967 2.292 6.427 1.00 1.64 H new ATOM 0 HE2 HIS A 3 14.002 0.038 7.104 1.00 1.85 H new ATOM 46 N SER A 4 13.831 -2.566 -0.028 1.00 0.14 N ATOM 47 CA SER A 4 13.803 -2.707 -1.478 1.00 0.13 C ATOM 48 C SER A 4 13.354 -4.116 -1.859 1.00 0.15 C ATOM 49 O SER A 4 13.427 -5.038 -1.043 1.00 0.24 O ATOM 50 CB SER A 4 15.172 -2.383 -2.090 1.00 0.17 C ATOM 51 OG SER A 4 16.175 -3.277 -1.628 1.00 0.95 O ATOM 0 H SER A 4 13.803 -3.449 0.483 1.00 0.14 H new ATOM 0 HA SER A 4 13.085 -1.993 -1.881 1.00 0.13 H new ATOM 0 HB2 SER A 4 15.108 -2.437 -3.177 1.00 0.17 H new ATOM 0 HB3 SER A 4 15.451 -1.360 -1.838 1.00 0.17 H new ATOM 0 HG SER A 4 17.034 -3.045 -2.038 1.00 0.95 H new ATOM 57 N GLY A 5 12.879 -4.272 -3.083 1.00 0.14 N ATOM 58 CA GLY A 5 12.424 -5.564 -3.557 1.00 0.15 C ATOM 59 C GLY A 5 11.654 -5.423 -4.850 1.00 0.15 C ATOM 60 O GLY A 5 10.954 -4.436 -5.039 1.00 0.16 O ATOM 0 H GLY A 5 12.799 -3.518 -3.766 1.00 0.14 H new ATOM 0 HA2 GLY A 5 13.279 -6.222 -3.708 1.00 0.15 H new ATOM 0 HA3 GLY A 5 11.792 -6.031 -2.802 1.00 0.15 H new ATOM 64 N ALA A 6 11.781 -6.387 -5.748 1.00 0.16 N ATOM 65 CA ALA A 6 11.120 -6.292 -7.041 1.00 0.17 C ATOM 66 C ALA A 6 9.624 -6.598 -6.920 1.00 0.21 C ATOM 67 O ALA A 6 9.245 -7.691 -6.500 1.00 0.43 O ATOM 68 CB ALA A 6 11.769 -7.229 -8.044 1.00 0.21 C ATOM 0 H ALA A 6 12.329 -7.236 -5.609 1.00 0.16 H new ATOM 0 HA ALA A 6 11.230 -5.268 -7.397 1.00 0.17 H new ATOM 0 HB1 ALA A 6 11.260 -7.143 -9.004 1.00 0.21 H new ATOM 0 HB2 ALA A 6 12.819 -6.962 -8.164 1.00 0.21 H new ATOM 0 HB3 ALA A 6 11.694 -8.255 -7.684 1.00 0.21 H new ATOM 74 N ALA A 7 8.779 -5.644 -7.298 1.00 0.11 N ATOM 75 CA ALA A 7 7.331 -5.801 -7.159 1.00 0.12 C ATOM 76 C ALA A 7 6.602 -5.469 -8.452 1.00 0.12 C ATOM 77 O ALA A 7 7.122 -4.773 -9.315 1.00 0.13 O ATOM 78 CB ALA A 7 6.793 -4.918 -6.041 1.00 0.12 C ATOM 0 H ALA A 7 9.069 -4.754 -7.703 1.00 0.11 H new ATOM 0 HA ALA A 7 7.149 -6.848 -6.915 1.00 0.12 H new ATOM 0 HB1 ALA A 7 5.715 -5.053 -5.958 1.00 0.12 H new ATOM 0 HB2 ALA A 7 7.267 -5.194 -5.099 1.00 0.12 H new ATOM 0 HB3 ALA A 7 7.012 -3.874 -6.265 1.00 0.12 H new ATOM 84 N ILE A 8 5.390 -5.975 -8.559 1.00 0.15 N ATOM 85 CA ILE A 8 4.507 -5.693 -9.682 1.00 0.19 C ATOM 86 C ILE A 8 3.549 -4.583 -9.294 1.00 0.22 C ATOM 87 O ILE A 8 2.765 -4.729 -8.358 1.00 0.26 O ATOM 88 CB ILE A 8 3.682 -6.946 -10.091 1.00 0.23 C ATOM 89 CG1 ILE A 8 4.557 -8.034 -10.736 1.00 0.26 C ATOM 90 CG2 ILE A 8 2.555 -6.560 -11.034 1.00 0.29 C ATOM 91 CD1 ILE A 8 5.521 -8.719 -9.787 1.00 0.25 C ATOM 0 H ILE A 8 4.983 -6.600 -7.864 1.00 0.15 H new ATOM 0 HA ILE A 8 5.124 -5.396 -10.530 1.00 0.19 H new ATOM 0 HB ILE A 8 3.261 -7.361 -9.176 1.00 0.23 H new ATOM 0 HG12 ILE A 8 3.907 -8.789 -11.179 1.00 0.26 H new ATOM 0 HG13 ILE A 8 5.127 -7.587 -11.551 1.00 0.26 H new ATOM 0 HG21 ILE A 8 1.989 -7.450 -11.309 1.00 0.29 H new ATOM 0 HG22 ILE A 8 1.894 -5.849 -10.539 1.00 0.29 H new ATOM 0 HG23 ILE A 8 2.972 -6.104 -11.932 1.00 0.29 H new ATOM 0 HD11 ILE A 8 6.095 -9.470 -10.330 1.00 0.25 H new ATOM 0 HD12 ILE A 8 6.201 -7.980 -9.363 1.00 0.25 H new ATOM 0 HD13 ILE A 8 4.962 -9.200 -8.985 1.00 0.25 H new ATOM 103 N PHE A 9 3.620 -3.476 -10.001 1.00 0.28 N ATOM 104 CA PHE A 9 2.760 -2.347 -9.714 1.00 0.34 C ATOM 105 C PHE A 9 1.966 -1.970 -10.954 1.00 0.46 C ATOM 106 O PHE A 9 2.525 -1.471 -11.929 1.00 0.52 O ATOM 107 CB PHE A 9 3.593 -1.168 -9.207 1.00 0.35 C ATOM 108 CG PHE A 9 2.826 0.105 -8.995 1.00 0.40 C ATOM 109 CD1 PHE A 9 1.978 0.252 -7.912 1.00 0.40 C ATOM 110 CD2 PHE A 9 2.972 1.164 -9.873 1.00 0.50 C ATOM 111 CE1 PHE A 9 1.290 1.431 -7.711 1.00 0.45 C ATOM 112 CE2 PHE A 9 2.285 2.343 -9.678 1.00 0.56 C ATOM 113 CZ PHE A 9 1.443 2.477 -8.597 1.00 0.52 C ATOM 0 H PHE A 9 4.264 -3.333 -10.779 1.00 0.28 H new ATOM 0 HA PHE A 9 2.053 -2.621 -8.931 1.00 0.34 H new ATOM 0 HB2 PHE A 9 4.063 -1.453 -8.266 1.00 0.35 H new ATOM 0 HB3 PHE A 9 4.396 -0.977 -9.919 1.00 0.35 H new ATOM 0 HD1 PHE A 9 1.853 -0.565 -7.216 1.00 0.40 H new ATOM 0 HD2 PHE A 9 3.632 1.066 -10.722 1.00 0.50 H new ATOM 0 HE1 PHE A 9 0.632 1.535 -6.861 1.00 0.45 H new ATOM 0 HE2 PHE A 9 2.407 3.161 -10.373 1.00 0.56 H new ATOM 0 HZ PHE A 9 0.903 3.400 -8.443 1.00 0.52 H new ATOM 123 N GLU A 10 0.662 -2.230 -10.900 1.00 0.58 N ATOM 124 CA GLU A 10 -0.239 -2.030 -12.031 1.00 0.73 C ATOM 125 C GLU A 10 0.055 -3.029 -13.134 1.00 0.64 C ATOM 126 O GLU A 10 0.227 -2.669 -14.299 1.00 0.67 O ATOM 127 CB GLU A 10 -0.168 -0.609 -12.573 1.00 0.87 C ATOM 128 CG GLU A 10 -0.605 0.442 -11.574 1.00 0.98 C ATOM 129 CD GLU A 10 -0.704 1.816 -12.197 1.00 1.21 C ATOM 130 OE1 GLU A 10 -1.710 2.094 -12.883 1.00 1.46 O ATOM 131 OE2 GLU A 10 0.219 2.631 -11.996 1.00 1.25 O ATOM 0 H GLU A 10 0.198 -2.588 -10.065 1.00 0.58 H new ATOM 0 HA GLU A 10 -1.253 -2.193 -11.666 1.00 0.73 H new ATOM 0 HB2 GLU A 10 0.855 -0.399 -12.885 1.00 0.87 H new ATOM 0 HB3 GLU A 10 -0.794 -0.536 -13.462 1.00 0.87 H new ATOM 0 HG2 GLU A 10 -1.573 0.164 -11.156 1.00 0.98 H new ATOM 0 HG3 GLU A 10 0.103 0.471 -10.746 1.00 0.98 H new ATOM 138 N LYS A 11 0.119 -4.287 -12.727 1.00 0.58 N ATOM 139 CA LYS A 11 0.212 -5.431 -13.637 1.00 0.55 C ATOM 140 C LYS A 11 1.530 -5.467 -14.410 1.00 0.49 C ATOM 141 O LYS A 11 1.732 -6.333 -15.263 1.00 0.56 O ATOM 142 CB LYS A 11 -0.986 -5.467 -14.598 1.00 0.65 C ATOM 143 CG LYS A 11 -2.332 -5.540 -13.885 1.00 0.74 C ATOM 144 CD LYS A 11 -2.879 -4.175 -13.560 1.00 1.29 C ATOM 145 CE LYS A 11 -3.949 -4.242 -12.494 1.00 1.32 C ATOM 146 NZ LYS A 11 -5.098 -5.083 -12.912 1.00 1.91 N ATOM 0 H LYS A 11 0.108 -4.552 -11.742 1.00 0.58 H new ATOM 0 HA LYS A 11 0.189 -6.326 -13.015 1.00 0.55 H new ATOM 0 HB2 LYS A 11 -0.964 -4.577 -15.227 1.00 0.65 H new ATOM 0 HB3 LYS A 11 -0.886 -6.328 -15.259 1.00 0.65 H new ATOM 0 HG2 LYS A 11 -3.045 -6.075 -14.512 1.00 0.74 H new ATOM 0 HG3 LYS A 11 -2.223 -6.114 -12.965 1.00 0.74 H new ATOM 0 HD2 LYS A 11 -2.069 -3.529 -13.222 1.00 1.29 H new ATOM 0 HD3 LYS A 11 -3.292 -3.724 -14.462 1.00 1.29 H new ATOM 0 HE2 LYS A 11 -3.521 -4.644 -11.575 1.00 1.32 H new ATOM 0 HE3 LYS A 11 -4.300 -3.235 -12.269 1.00 1.32 H new ATOM 0 HZ1 LYS A 11 -5.858 -5.007 -12.206 1.00 1.91 H new ATOM 0 HZ2 LYS A 11 -5.449 -4.757 -13.835 1.00 1.91 H new ATOM 0 HZ3 LYS A 11 -4.793 -6.074 -12.988 1.00 1.91 H new ATOM 160 N VAL A 12 2.427 -4.539 -14.112 1.00 0.44 N ATOM 161 CA VAL A 12 3.771 -4.583 -14.662 1.00 0.42 C ATOM 162 C VAL A 12 4.782 -4.900 -13.564 1.00 0.35 C ATOM 163 O VAL A 12 4.730 -4.328 -12.475 1.00 0.30 O ATOM 164 CB VAL A 12 4.176 -3.267 -15.380 1.00 0.47 C ATOM 165 CG1 VAL A 12 3.643 -2.045 -14.653 1.00 0.47 C ATOM 166 CG2 VAL A 12 5.692 -3.196 -15.501 1.00 0.46 C ATOM 0 H VAL A 12 2.248 -3.748 -13.493 1.00 0.44 H new ATOM 0 HA VAL A 12 3.773 -5.374 -15.412 1.00 0.42 H new ATOM 0 HB VAL A 12 3.732 -3.272 -16.376 1.00 0.47 H new ATOM 0 HG11 VAL A 12 3.947 -1.144 -15.185 1.00 0.47 H new ATOM 0 HG12 VAL A 12 2.555 -2.092 -14.611 1.00 0.47 H new ATOM 0 HG13 VAL A 12 4.044 -2.021 -13.640 1.00 0.47 H new ATOM 0 HG21 VAL A 12 5.974 -2.272 -16.005 1.00 0.46 H new ATOM 0 HG22 VAL A 12 6.138 -3.217 -14.507 1.00 0.46 H new ATOM 0 HG23 VAL A 12 6.051 -4.048 -16.078 1.00 0.46 H new ATOM 176 N SER A 13 5.685 -5.824 -13.855 1.00 0.35 N ATOM 177 CA SER A 13 6.728 -6.196 -12.921 1.00 0.30 C ATOM 178 C SER A 13 7.843 -5.156 -12.921 1.00 0.28 C ATOM 179 O SER A 13 8.306 -4.711 -13.976 1.00 0.40 O ATOM 180 CB SER A 13 7.279 -7.584 -13.266 1.00 0.34 C ATOM 181 OG SER A 13 8.229 -8.018 -12.307 1.00 1.02 O ATOM 0 H SER A 13 5.713 -6.332 -14.739 1.00 0.35 H new ATOM 0 HA SER A 13 6.301 -6.234 -11.919 1.00 0.30 H new ATOM 0 HB2 SER A 13 6.459 -8.300 -13.317 1.00 0.34 H new ATOM 0 HB3 SER A 13 7.742 -7.558 -14.253 1.00 0.34 H new ATOM 0 HG SER A 13 8.560 -8.907 -12.554 1.00 1.02 H new ATOM 187 N GLY A 14 8.254 -4.765 -11.731 1.00 0.16 N ATOM 188 CA GLY A 14 9.292 -3.782 -11.578 1.00 0.14 C ATOM 189 C GLY A 14 10.012 -3.933 -10.264 1.00 0.12 C ATOM 190 O GLY A 14 10.074 -5.028 -9.715 1.00 0.14 O ATOM 0 H GLY A 14 7.877 -5.121 -10.853 1.00 0.16 H new ATOM 0 HA2 GLY A 14 10.005 -3.875 -12.397 1.00 0.14 H new ATOM 0 HA3 GLY A 14 8.860 -2.783 -11.644 1.00 0.14 H new ATOM 194 N ILE A 15 10.562 -2.844 -9.759 1.00 0.11 N ATOM 195 CA ILE A 15 11.313 -2.866 -8.521 1.00 0.12 C ATOM 196 C ILE A 15 10.777 -1.830 -7.552 1.00 0.10 C ATOM 197 O ILE A 15 10.191 -0.844 -7.956 1.00 0.08 O ATOM 198 CB ILE A 15 12.810 -2.602 -8.747 1.00 0.15 C ATOM 199 CG1 ILE A 15 13.336 -3.386 -9.948 1.00 0.17 C ATOM 200 CG2 ILE A 15 13.620 -2.953 -7.509 1.00 0.17 C ATOM 201 CD1 ILE A 15 13.397 -4.882 -9.767 1.00 0.19 C ATOM 0 H ILE A 15 10.500 -1.924 -10.195 1.00 0.11 H new ATOM 0 HA ILE A 15 11.196 -3.866 -8.104 1.00 0.12 H new ATOM 0 HB ILE A 15 12.923 -1.537 -8.951 1.00 0.15 H new ATOM 0 HG12 ILE A 15 12.704 -3.167 -10.809 1.00 0.17 H new ATOM 0 HG13 ILE A 15 14.336 -3.025 -10.187 1.00 0.17 H new ATOM 0 HG21 ILE A 15 14.676 -2.756 -7.697 1.00 0.17 H new ATOM 0 HG22 ILE A 15 13.282 -2.346 -6.669 1.00 0.17 H new ATOM 0 HG23 ILE A 15 13.484 -4.008 -7.272 1.00 0.17 H new ATOM 0 HD11 ILE A 15 13.784 -5.343 -10.676 1.00 0.19 H new ATOM 0 HD12 ILE A 15 14.054 -5.121 -8.931 1.00 0.19 H new ATOM 0 HD13 ILE A 15 12.397 -5.265 -9.563 1.00 0.19 H new ATOM 213 N ILE A 16 10.974 -2.076 -6.282 1.00 0.13 N ATOM 214 CA ILE A 16 10.522 -1.185 -5.235 1.00 0.11 C ATOM 215 C ILE A 16 11.680 -0.841 -4.316 1.00 0.12 C ATOM 216 O ILE A 16 12.480 -1.708 -3.968 1.00 0.15 O ATOM 217 CB ILE A 16 9.371 -1.828 -4.430 1.00 0.12 C ATOM 218 CG1 ILE A 16 8.090 -1.045 -4.652 1.00 0.12 C ATOM 219 CG2 ILE A 16 9.683 -1.901 -2.939 1.00 0.13 C ATOM 220 CD1 ILE A 16 6.889 -1.681 -4.004 1.00 0.16 C ATOM 0 H ILE A 16 11.456 -2.907 -5.939 1.00 0.13 H new ATOM 0 HA ILE A 16 10.147 -0.270 -5.693 1.00 0.11 H new ATOM 0 HB ILE A 16 9.249 -2.850 -4.789 1.00 0.12 H new ATOM 0 HG12 ILE A 16 8.215 -0.036 -4.259 1.00 0.12 H new ATOM 0 HG13 ILE A 16 7.910 -0.950 -5.723 1.00 0.12 H new ATOM 0 HG21 ILE A 16 8.845 -2.360 -2.414 1.00 0.13 H new ATOM 0 HG22 ILE A 16 10.581 -2.500 -2.784 1.00 0.13 H new ATOM 0 HG23 ILE A 16 9.846 -0.895 -2.552 1.00 0.13 H new ATOM 0 HD11 ILE A 16 6.006 -1.073 -4.199 1.00 0.16 H new ATOM 0 HD12 ILE A 16 6.740 -2.680 -4.414 1.00 0.16 H new ATOM 0 HD13 ILE A 16 7.050 -1.751 -2.928 1.00 0.16 H new ATOM 232 N ALA A 17 11.805 0.426 -3.978 1.00 0.10 N ATOM 233 CA ALA A 17 12.808 0.843 -3.019 1.00 0.10 C ATOM 234 C ALA A 17 12.265 1.874 -2.035 1.00 0.08 C ATOM 235 O ALA A 17 11.945 2.997 -2.409 1.00 0.08 O ATOM 236 CB ALA A 17 14.032 1.367 -3.741 1.00 0.12 C ATOM 0 H ALA A 17 11.229 1.181 -4.350 1.00 0.10 H new ATOM 0 HA ALA A 17 13.094 -0.030 -2.432 1.00 0.10 H new ATOM 0 HB1 ALA A 17 14.780 1.678 -3.011 1.00 0.12 H new ATOM 0 HB2 ALA A 17 14.446 0.581 -4.373 1.00 0.12 H new ATOM 0 HB3 ALA A 17 13.752 2.220 -4.359 1.00 0.12 H new ATOM 242 N ILE A 18 12.170 1.478 -0.780 1.00 0.08 N ATOM 243 CA ILE A 18 11.846 2.385 0.303 1.00 0.08 C ATOM 244 C ILE A 18 13.121 3.063 0.769 1.00 0.09 C ATOM 245 O ILE A 18 14.007 2.417 1.321 1.00 0.18 O ATOM 246 CB ILE A 18 11.266 1.677 1.537 1.00 0.10 C ATOM 247 CG1 ILE A 18 10.094 0.770 1.155 1.00 0.12 C ATOM 248 CG2 ILE A 18 10.856 2.715 2.580 1.00 0.13 C ATOM 249 CD1 ILE A 18 10.508 -0.653 0.891 1.00 0.12 C ATOM 0 H ILE A 18 12.316 0.513 -0.482 1.00 0.08 H new ATOM 0 HA ILE A 18 11.102 3.078 -0.090 1.00 0.08 H new ATOM 0 HB ILE A 18 12.034 1.036 1.970 1.00 0.10 H new ATOM 0 HG12 ILE A 18 9.356 0.784 1.957 1.00 0.12 H new ATOM 0 HG13 ILE A 18 9.607 1.171 0.266 1.00 0.12 H new ATOM 0 HG21 ILE A 18 10.445 2.210 3.454 1.00 0.13 H new ATOM 0 HG22 ILE A 18 11.728 3.299 2.875 1.00 0.13 H new ATOM 0 HG23 ILE A 18 10.102 3.378 2.156 1.00 0.13 H new ATOM 0 HD11 ILE A 18 9.631 -1.244 0.625 1.00 0.12 H new ATOM 0 HD12 ILE A 18 11.224 -0.677 0.070 1.00 0.12 H new ATOM 0 HD13 ILE A 18 10.969 -1.070 1.787 1.00 0.12 H new ATOM 261 N ASN A 19 13.219 4.344 0.558 1.00 0.13 N ATOM 262 CA ASN A 19 14.408 5.070 0.938 1.00 0.18 C ATOM 263 C ASN A 19 14.071 6.113 1.961 1.00 0.20 C ATOM 264 O ASN A 19 13.193 6.942 1.728 1.00 0.21 O ATOM 265 CB ASN A 19 15.037 5.714 -0.303 1.00 0.22 C ATOM 266 CG ASN A 19 15.928 6.898 0.019 1.00 0.43 C ATOM 267 OD1 ASN A 19 15.353 8.093 -0.029 1.00 1.12 O flip ATOM 268 ND2 ASN A 19 17.115 6.746 0.296 1.00 0.29 N flip ATOM 0 H ASN A 19 12.492 4.913 0.125 1.00 0.13 H new ATOM 0 HA ASN A 19 15.127 4.379 1.378 1.00 0.18 H new ATOM 0 HB2 ASN A 19 15.621 4.964 -0.836 1.00 0.22 H new ATOM 0 HB3 ASN A 19 14.244 6.038 -0.977 1.00 0.22 H new ATOM 0 HD21 ASN A 19 17.517 5.809 0.322 1.00 0.29 H new ATOM 0 HD22 ASN A 19 17.699 7.557 0.500 1.00 0.29 H new ATOM 275 N GLU A 20 14.727 6.082 3.111 1.00 0.24 N ATOM 276 CA GLU A 20 14.649 7.243 3.938 1.00 0.28 C ATOM 277 C GLU A 20 16.008 7.940 3.876 1.00 0.34 C ATOM 278 O GLU A 20 16.873 7.744 4.729 1.00 0.40 O ATOM 279 CB GLU A 20 14.370 6.826 5.388 1.00 0.33 C ATOM 280 CG GLU A 20 13.224 5.844 5.543 1.00 0.33 C ATOM 281 CD GLU A 20 13.159 5.237 6.932 1.00 0.55 C ATOM 282 OE1 GLU A 20 12.813 5.962 7.887 1.00 0.70 O ATOM 283 OE2 GLU A 20 13.467 4.035 7.079 1.00 0.74 O ATOM 0 H GLU A 20 15.286 5.306 3.466 1.00 0.24 H new ATOM 0 HA GLU A 20 13.851 7.902 3.597 1.00 0.28 H new ATOM 0 HB2 GLU A 20 15.273 6.382 5.807 1.00 0.33 H new ATOM 0 HB3 GLU A 20 14.151 7.718 5.975 1.00 0.33 H new ATOM 0 HG2 GLU A 20 12.284 6.352 5.328 1.00 0.33 H new ATOM 0 HG3 GLU A 20 13.331 5.047 4.807 1.00 0.33 H new ATOM 290 N ASP A 21 16.182 8.734 2.838 1.00 0.35 N ATOM 291 CA ASP A 21 17.133 9.833 2.783 1.00 0.41 C ATOM 292 C ASP A 21 16.339 11.082 2.486 1.00 0.41 C ATOM 293 O ASP A 21 16.792 12.215 2.613 1.00 0.46 O ATOM 294 CB ASP A 21 18.195 9.574 1.709 1.00 0.44 C ATOM 295 CG ASP A 21 19.101 10.768 1.468 1.00 0.51 C ATOM 296 OD1 ASP A 21 20.027 10.989 2.274 1.00 0.59 O ATOM 297 OD2 ASP A 21 18.902 11.482 0.461 1.00 0.53 O ATOM 0 H ASP A 21 15.646 8.630 1.976 1.00 0.35 H new ATOM 0 HA ASP A 21 17.668 9.940 3.727 1.00 0.41 H new ATOM 0 HB2 ASP A 21 18.802 8.719 2.006 1.00 0.44 H new ATOM 0 HB3 ASP A 21 17.701 9.306 0.775 1.00 0.44 H new ATOM 302 N VAL A 22 15.101 10.803 2.120 1.00 0.35 N ATOM 303 CA VAL A 22 14.277 11.680 1.313 1.00 0.33 C ATOM 304 C VAL A 22 13.258 12.446 2.166 1.00 0.31 C ATOM 305 O VAL A 22 13.237 12.306 3.393 1.00 0.30 O ATOM 306 CB VAL A 22 13.553 10.758 0.286 1.00 0.30 C ATOM 307 CG1 VAL A 22 12.628 9.792 1.004 1.00 0.25 C ATOM 308 CG2 VAL A 22 12.792 11.510 -0.786 1.00 0.32 C ATOM 0 H VAL A 22 14.630 9.937 2.383 1.00 0.35 H new ATOM 0 HA VAL A 22 14.886 12.438 0.820 1.00 0.33 H new ATOM 0 HB VAL A 22 14.340 10.208 -0.230 1.00 0.30 H new ATOM 0 HG11 VAL A 22 12.129 9.155 0.274 1.00 0.25 H new ATOM 0 HG12 VAL A 22 13.208 9.174 1.689 1.00 0.25 H new ATOM 0 HG13 VAL A 22 11.881 10.353 1.566 1.00 0.25 H new ATOM 0 HG21 VAL A 22 12.316 10.799 -1.461 1.00 0.32 H new ATOM 0 HG22 VAL A 22 12.029 12.134 -0.321 1.00 0.32 H new ATOM 0 HG23 VAL A 22 13.482 12.139 -1.349 1.00 0.32 H new ATOM 318 N SER A 23 12.455 13.282 1.511 1.00 0.32 N ATOM 319 CA SER A 23 11.262 13.866 2.116 1.00 0.28 C ATOM 320 C SER A 23 10.419 12.723 2.677 1.00 0.18 C ATOM 321 O SER A 23 10.661 11.589 2.285 1.00 0.16 O ATOM 322 CB SER A 23 10.506 14.675 1.056 1.00 0.35 C ATOM 323 OG SER A 23 10.837 14.232 -0.250 1.00 1.31 O ATOM 0 H SER A 23 12.614 13.573 0.546 1.00 0.32 H new ATOM 0 HA SER A 23 11.513 14.549 2.928 1.00 0.28 H new ATOM 0 HB2 SER A 23 9.432 14.578 1.216 1.00 0.35 H new ATOM 0 HB3 SER A 23 10.749 15.733 1.158 1.00 0.35 H new ATOM 0 HG SER A 23 10.189 13.557 -0.541 1.00 1.31 H new ATOM 329 N PRO A 24 9.410 12.954 3.549 1.00 0.16 N ATOM 330 CA PRO A 24 8.968 11.916 4.500 1.00 0.16 C ATOM 331 C PRO A 24 8.842 10.555 3.834 1.00 0.15 C ATOM 332 O PRO A 24 8.123 10.430 2.845 1.00 0.22 O ATOM 333 CB PRO A 24 7.590 12.427 4.940 1.00 0.21 C ATOM 334 CG PRO A 24 7.231 13.442 3.911 1.00 0.19 C ATOM 335 CD PRO A 24 8.527 14.123 3.615 1.00 0.17 C ATOM 0 HA PRO A 24 9.671 11.770 5.320 1.00 0.16 H new ATOM 0 HB2 PRO A 24 6.859 11.620 4.975 1.00 0.21 H new ATOM 0 HB3 PRO A 24 7.628 12.867 5.937 1.00 0.21 H new ATOM 0 HG2 PRO A 24 6.811 12.976 3.019 1.00 0.19 H new ATOM 0 HG3 PRO A 24 6.486 14.145 4.285 1.00 0.19 H new ATOM 0 HD2 PRO A 24 8.502 14.681 2.679 1.00 0.17 H new ATOM 0 HD3 PRO A 24 8.819 14.824 4.397 1.00 0.17 H new ATOM 343 N ALA A 25 9.517 9.559 4.429 1.00 0.15 N ATOM 344 CA ALA A 25 10.005 8.360 3.719 1.00 0.14 C ATOM 345 C ALA A 25 9.255 8.024 2.443 1.00 0.14 C ATOM 346 O ALA A 25 8.026 7.970 2.396 1.00 0.18 O ATOM 347 CB ALA A 25 10.042 7.152 4.620 1.00 0.20 C ATOM 0 H ALA A 25 9.743 9.560 5.424 1.00 0.15 H new ATOM 0 HA ALA A 25 11.018 8.627 3.418 1.00 0.14 H new ATOM 0 HB1 ALA A 25 10.407 6.291 4.060 1.00 0.20 H new ATOM 0 HB2 ALA A 25 10.708 7.346 5.461 1.00 0.20 H new ATOM 0 HB3 ALA A 25 9.039 6.944 4.992 1.00 0.20 H new ATOM 353 N GLU A 26 10.018 7.729 1.422 1.00 0.14 N ATOM 354 CA GLU A 26 9.462 7.533 0.115 1.00 0.15 C ATOM 355 C GLU A 26 9.886 6.192 -0.463 1.00 0.11 C ATOM 356 O GLU A 26 11.040 5.773 -0.354 1.00 0.13 O ATOM 357 CB GLU A 26 9.803 8.698 -0.841 1.00 0.27 C ATOM 358 CG GLU A 26 9.045 9.975 -0.509 1.00 0.66 C ATOM 359 CD GLU A 26 9.170 11.046 -1.577 1.00 0.71 C ATOM 360 OE1 GLU A 26 8.627 10.860 -2.686 1.00 1.14 O ATOM 361 OE2 GLU A 26 9.837 12.070 -1.327 1.00 1.26 O ATOM 0 H GLU A 26 11.031 7.620 1.475 1.00 0.14 H new ATOM 0 HA GLU A 26 8.377 7.522 0.222 1.00 0.15 H new ATOM 0 HB2 GLU A 26 10.874 8.895 -0.798 1.00 0.27 H new ATOM 0 HB3 GLU A 26 9.574 8.401 -1.864 1.00 0.27 H new ATOM 0 HG2 GLU A 26 7.991 9.736 -0.366 1.00 0.66 H new ATOM 0 HG3 GLU A 26 9.413 10.371 0.437 1.00 0.66 H new ATOM 368 N LEU A 27 8.924 5.535 -1.070 1.00 0.10 N ATOM 369 CA LEU A 27 9.125 4.282 -1.766 1.00 0.09 C ATOM 370 C LEU A 27 9.213 4.616 -3.227 1.00 0.09 C ATOM 371 O LEU A 27 8.544 5.523 -3.692 1.00 0.13 O ATOM 372 CB LEU A 27 7.916 3.366 -1.503 1.00 0.11 C ATOM 373 CG LEU A 27 7.749 2.119 -2.396 1.00 0.10 C ATOM 374 CD1 LEU A 27 6.734 1.206 -1.767 1.00 0.15 C ATOM 375 CD2 LEU A 27 7.267 2.463 -3.807 1.00 0.11 C ATOM 0 H LEU A 27 7.959 5.863 -1.095 1.00 0.10 H new ATOM 0 HA LEU A 27 10.026 3.768 -1.431 1.00 0.09 H new ATOM 0 HB2 LEU A 27 7.969 3.031 -0.467 1.00 0.11 H new ATOM 0 HB3 LEU A 27 7.013 3.969 -1.597 1.00 0.11 H new ATOM 0 HG LEU A 27 8.728 1.647 -2.479 1.00 0.10 H new ATOM 0 HD11 LEU A 27 6.607 0.320 -2.389 1.00 0.15 H new ATOM 0 HD12 LEU A 27 7.077 0.908 -0.776 1.00 0.15 H new ATOM 0 HD13 LEU A 27 5.781 1.727 -1.679 1.00 0.15 H new ATOM 0 HD21 LEU A 27 7.167 1.548 -4.391 1.00 0.11 H new ATOM 0 HD22 LEU A 27 6.301 2.964 -3.749 1.00 0.11 H new ATOM 0 HD23 LEU A 27 7.989 3.123 -4.287 1.00 0.11 H new ATOM 387 N THR A 28 10.019 3.905 -3.956 1.00 0.08 N ATOM 388 CA THR A 28 10.143 4.178 -5.358 1.00 0.09 C ATOM 389 C THR A 28 10.039 2.898 -6.155 1.00 0.08 C ATOM 390 O THR A 28 10.922 2.044 -6.100 1.00 0.10 O ATOM 391 CB THR A 28 11.460 4.899 -5.668 1.00 0.14 C ATOM 392 OG1 THR A 28 11.620 6.011 -4.774 1.00 0.21 O ATOM 393 CG2 THR A 28 11.459 5.394 -7.099 1.00 0.14 C ATOM 0 H THR A 28 10.596 3.139 -3.609 1.00 0.08 H new ATOM 0 HA THR A 28 9.325 4.837 -5.647 1.00 0.09 H new ATOM 0 HB THR A 28 12.287 4.201 -5.535 1.00 0.14 H new ATOM 0 HG1 THR A 28 12.463 6.471 -4.971 1.00 0.21 H new ATOM 0 HG21 THR A 28 12.399 5.904 -7.308 1.00 0.14 H new ATOM 0 HG22 THR A 28 11.347 4.548 -7.777 1.00 0.14 H new ATOM 0 HG23 THR A 28 10.630 6.087 -7.244 1.00 0.14 H new ATOM 401 N TRP A 29 8.936 2.755 -6.859 1.00 0.08 N ATOM 402 CA TRP A 29 8.743 1.609 -7.717 1.00 0.08 C ATOM 403 C TRP A 29 9.294 1.920 -9.092 1.00 0.08 C ATOM 404 O TRP A 29 8.745 2.717 -9.834 1.00 0.12 O ATOM 405 CB TRP A 29 7.269 1.204 -7.808 1.00 0.11 C ATOM 406 CG TRP A 29 7.048 0.012 -8.694 1.00 0.11 C ATOM 407 CD1 TRP A 29 7.148 -1.307 -8.346 1.00 0.13 C ATOM 408 CD2 TRP A 29 6.702 0.032 -10.081 1.00 0.14 C ATOM 409 NE1 TRP A 29 6.889 -2.101 -9.435 1.00 0.14 N ATOM 410 CE2 TRP A 29 6.613 -1.303 -10.510 1.00 0.14 C ATOM 411 CE3 TRP A 29 6.460 1.054 -11.000 1.00 0.19 C ATOM 412 CZ2 TRP A 29 6.294 -1.642 -11.818 1.00 0.19 C ATOM 413 CZ3 TRP A 29 6.142 0.715 -12.296 1.00 0.24 C ATOM 414 CH2 TRP A 29 6.062 -0.622 -12.694 1.00 0.24 C ATOM 0 H TRP A 29 8.161 3.418 -6.853 1.00 0.08 H new ATOM 0 HA TRP A 29 9.279 0.763 -7.286 1.00 0.08 H new ATOM 0 HB2 TRP A 29 6.895 0.983 -6.808 1.00 0.11 H new ATOM 0 HB3 TRP A 29 6.688 2.045 -8.186 1.00 0.11 H new ATOM 0 HD1 TRP A 29 7.395 -1.670 -7.359 1.00 0.13 H new ATOM 0 HE1 TRP A 29 6.901 -3.121 -9.441 1.00 0.14 H new ATOM 0 HE3 TRP A 29 6.521 2.090 -10.701 1.00 0.19 H new ATOM 0 HZ2 TRP A 29 6.232 -2.674 -12.130 1.00 0.19 H new ATOM 0 HZ3 TRP A 29 5.951 1.496 -13.017 1.00 0.24 H new ATOM 0 HH2 TRP A 29 5.811 -0.853 -13.719 1.00 0.24 H new ATOM 425 N ARG A 30 10.396 1.300 -9.402 1.00 0.10 N ATOM 426 CA ARG A 30 11.066 1.497 -10.662 1.00 0.12 C ATOM 427 C ARG A 30 11.053 0.196 -11.439 1.00 0.13 C ATOM 428 O ARG A 30 11.581 -0.802 -10.970 1.00 0.15 O ATOM 429 CB ARG A 30 12.495 1.966 -10.395 1.00 0.15 C ATOM 430 CG ARG A 30 13.367 2.021 -11.632 1.00 0.21 C ATOM 431 CD ARG A 30 14.332 0.849 -11.670 1.00 0.32 C ATOM 432 NE ARG A 30 15.104 0.801 -12.911 1.00 0.33 N ATOM 433 CZ ARG A 30 15.799 -0.262 -13.318 1.00 0.47 C ATOM 434 NH1 ARG A 30 15.827 -1.364 -12.578 1.00 0.87 N ATOM 435 NH2 ARG A 30 16.476 -0.219 -14.459 1.00 0.51 N ATOM 0 H ARG A 30 10.862 0.636 -8.783 1.00 0.10 H new ATOM 0 HA ARG A 30 10.556 2.257 -11.254 1.00 0.12 H new ATOM 0 HB2 ARG A 30 12.462 2.957 -9.942 1.00 0.15 H new ATOM 0 HB3 ARG A 30 12.956 1.298 -9.668 1.00 0.15 H new ATOM 0 HG2 ARG A 30 12.740 2.010 -12.524 1.00 0.21 H new ATOM 0 HG3 ARG A 30 13.925 2.957 -11.646 1.00 0.21 H new ATOM 0 HD2 ARG A 30 15.015 0.917 -10.823 1.00 0.32 H new ATOM 0 HD3 ARG A 30 13.775 -0.081 -11.556 1.00 0.32 H new ATOM 0 HE ARG A 30 15.111 1.632 -13.502 1.00 0.33 H new ATOM 0 HH11 ARG A 30 15.316 -1.399 -11.696 1.00 0.87 H new ATOM 0 HH12 ARG A 30 16.359 -2.176 -12.892 1.00 0.87 H new ATOM 0 HH21 ARG A 30 16.465 0.628 -15.027 1.00 0.51 H new ATOM 0 HH22 ARG A 30 17.007 -1.033 -14.768 1.00 0.51 H new ATOM 449 N SER A 31 10.456 0.210 -12.622 1.00 0.16 N ATOM 450 CA SER A 31 10.297 -0.999 -13.411 1.00 0.18 C ATOM 451 C SER A 31 11.639 -1.664 -13.659 1.00 0.20 C ATOM 452 O SER A 31 12.667 -0.998 -13.740 1.00 0.24 O ATOM 453 CB SER A 31 9.623 -0.674 -14.744 1.00 0.28 C ATOM 454 OG SER A 31 10.314 0.363 -15.419 1.00 0.75 O ATOM 0 H SER A 31 10.073 1.050 -13.056 1.00 0.16 H new ATOM 0 HA SER A 31 9.668 -1.690 -12.850 1.00 0.18 H new ATOM 0 HB2 SER A 31 9.596 -1.566 -15.370 1.00 0.28 H new ATOM 0 HB3 SER A 31 8.589 -0.375 -14.570 1.00 0.28 H new ATOM 0 HG SER A 31 10.077 1.227 -15.022 1.00 0.75 H new ATOM 460 N THR A 32 11.611 -2.983 -13.750 1.00 0.20 N ATOM 461 CA THR A 32 12.812 -3.773 -13.991 1.00 0.26 C ATOM 462 C THR A 32 13.545 -3.287 -15.247 1.00 0.30 C ATOM 463 O THR A 32 14.773 -3.330 -15.314 1.00 0.38 O ATOM 464 CB THR A 32 12.452 -5.260 -14.143 1.00 0.31 C ATOM 465 OG1 THR A 32 11.619 -5.658 -13.044 1.00 0.31 O ATOM 466 CG2 THR A 32 13.700 -6.130 -14.171 1.00 0.39 C ATOM 0 H THR A 32 10.759 -3.537 -13.660 1.00 0.20 H new ATOM 0 HA THR A 32 13.473 -3.650 -13.133 1.00 0.26 H new ATOM 0 HB THR A 32 11.923 -5.392 -15.087 1.00 0.31 H new ATOM 0 HG1 THR A 32 11.385 -6.605 -13.137 1.00 0.31 H new ATOM 0 HG21 THR A 32 13.412 -7.176 -14.279 1.00 0.39 H new ATOM 0 HG22 THR A 32 14.329 -5.838 -15.012 1.00 0.39 H new ATOM 0 HG23 THR A 32 14.255 -6.001 -13.242 1.00 0.39 H new ATOM 474 N ASP A 33 12.779 -2.811 -16.230 1.00 0.32 N ATOM 475 CA ASP A 33 13.355 -2.259 -17.456 1.00 0.39 C ATOM 476 C ASP A 33 13.888 -0.848 -17.226 1.00 0.37 C ATOM 477 O ASP A 33 14.856 -0.427 -17.856 1.00 0.44 O ATOM 478 CB ASP A 33 12.306 -2.241 -18.572 1.00 0.52 C ATOM 479 CG ASP A 33 12.771 -1.498 -19.812 1.00 1.60 C ATOM 480 OD1 ASP A 33 13.633 -2.029 -20.547 1.00 2.07 O ATOM 481 OD2 ASP A 33 12.289 -0.373 -20.057 1.00 2.33 O ATOM 0 H ASP A 33 11.760 -2.797 -16.201 1.00 0.32 H new ATOM 0 HA ASP A 33 14.187 -2.897 -17.753 1.00 0.39 H new ATOM 0 HB2 ASP A 33 12.054 -3.266 -18.843 1.00 0.52 H new ATOM 0 HB3 ASP A 33 11.394 -1.777 -18.198 1.00 0.52 H new ATOM 486 N GLY A 34 13.272 -0.134 -16.297 1.00 0.36 N ATOM 487 CA GLY A 34 13.723 1.204 -15.971 1.00 0.37 C ATOM 488 C GLY A 34 12.968 2.282 -16.718 1.00 0.42 C ATOM 489 O GLY A 34 13.390 3.437 -16.737 1.00 0.55 O ATOM 0 H GLY A 34 12.466 -0.457 -15.761 1.00 0.36 H new ATOM 0 HA2 GLY A 34 13.612 1.367 -14.899 1.00 0.37 H new ATOM 0 HA3 GLY A 34 14.786 1.289 -16.198 1.00 0.37 H new ATOM 493 N ASP A 35 11.850 1.914 -17.328 1.00 0.45 N ATOM 494 CA ASP A 35 11.053 2.869 -18.089 1.00 0.55 C ATOM 495 C ASP A 35 10.089 3.604 -17.170 1.00 0.46 C ATOM 496 O ASP A 35 10.241 4.799 -16.911 1.00 0.74 O ATOM 497 CB ASP A 35 10.279 2.162 -19.198 1.00 0.73 C ATOM 498 CG ASP A 35 9.706 3.121 -20.225 1.00 0.89 C ATOM 499 OD1 ASP A 35 8.722 3.826 -19.912 1.00 0.92 O ATOM 500 OD2 ASP A 35 10.231 3.163 -21.360 1.00 1.13 O ATOM 0 H ASP A 35 11.475 0.966 -17.312 1.00 0.45 H new ATOM 0 HA ASP A 35 11.730 3.592 -18.544 1.00 0.55 H new ATOM 0 HB2 ASP A 35 10.938 1.453 -19.699 1.00 0.73 H new ATOM 0 HB3 ASP A 35 9.467 1.584 -18.756 1.00 0.73 H new ATOM 505 N LYS A 36 9.105 2.878 -16.669 1.00 0.34 N ATOM 506 CA LYS A 36 8.118 3.452 -15.764 1.00 0.34 C ATOM 507 C LYS A 36 8.609 3.372 -14.324 1.00 0.27 C ATOM 508 O LYS A 36 9.290 2.423 -13.924 1.00 0.34 O ATOM 509 CB LYS A 36 6.775 2.733 -15.909 1.00 0.55 C ATOM 510 CG LYS A 36 6.882 1.270 -15.612 1.00 0.92 C ATOM 511 CD LYS A 36 5.585 0.539 -15.898 1.00 0.90 C ATOM 512 CE LYS A 36 5.182 0.616 -17.361 1.00 1.25 C ATOM 513 NZ LYS A 36 4.065 -0.310 -17.685 1.00 2.03 N ATOM 0 H LYS A 36 8.966 1.888 -16.872 1.00 0.34 H new ATOM 0 HA LYS A 36 7.978 4.501 -16.026 1.00 0.34 H new ATOM 0 HB2 LYS A 36 6.048 3.186 -15.236 1.00 0.55 H new ATOM 0 HB3 LYS A 36 6.399 2.870 -16.923 1.00 0.55 H new ATOM 0 HG2 LYS A 36 7.683 0.836 -16.210 1.00 0.92 H new ATOM 0 HG3 LYS A 36 7.154 1.131 -14.566 1.00 0.92 H new ATOM 0 HD2 LYS A 36 5.690 -0.507 -15.608 1.00 0.90 H new ATOM 0 HD3 LYS A 36 4.790 0.962 -15.283 1.00 0.90 H new ATOM 0 HE2 LYS A 36 4.886 1.637 -17.601 1.00 1.25 H new ATOM 0 HE3 LYS A 36 6.042 0.378 -17.986 1.00 1.25 H new ATOM 0 HZ1 LYS A 36 3.824 -0.224 -18.693 1.00 2.03 H new ATOM 0 HZ2 LYS A 36 4.354 -1.288 -17.481 1.00 2.03 H new ATOM 0 HZ3 LYS A 36 3.234 -0.067 -17.108 1.00 2.03 H new ATOM 527 N VAL A 37 8.255 4.386 -13.572 1.00 0.22 N ATOM 528 CA VAL A 37 8.668 4.552 -12.176 1.00 0.21 C ATOM 529 C VAL A 37 7.548 5.253 -11.404 1.00 0.22 C ATOM 530 O VAL A 37 6.900 6.152 -11.938 1.00 0.32 O ATOM 531 CB VAL A 37 9.966 5.397 -12.053 1.00 0.22 C ATOM 532 CG1 VAL A 37 10.372 5.562 -10.594 1.00 0.54 C ATOM 533 CG2 VAL A 37 11.107 4.778 -12.847 1.00 0.55 C ATOM 0 H VAL A 37 7.659 5.142 -13.909 1.00 0.22 H new ATOM 0 HA VAL A 37 8.867 3.562 -11.765 1.00 0.21 H new ATOM 0 HB VAL A 37 9.755 6.382 -12.470 1.00 0.22 H new ATOM 0 HG11 VAL A 37 11.283 6.157 -10.535 1.00 0.54 H new ATOM 0 HG12 VAL A 37 9.574 6.066 -10.049 1.00 0.54 H new ATOM 0 HG13 VAL A 37 10.550 4.581 -10.153 1.00 0.54 H new ATOM 0 HG21 VAL A 37 12.000 5.393 -12.740 1.00 0.55 H new ATOM 0 HG22 VAL A 37 11.310 3.775 -12.471 1.00 0.55 H new ATOM 0 HG23 VAL A 37 10.829 4.722 -13.899 1.00 0.55 H new ATOM 543 N HIS A 38 7.302 4.833 -10.172 1.00 0.17 N ATOM 544 CA HIS A 38 6.277 5.449 -9.344 1.00 0.19 C ATOM 545 C HIS A 38 6.745 5.548 -7.896 1.00 0.17 C ATOM 546 O HIS A 38 7.062 4.541 -7.273 1.00 0.17 O ATOM 547 CB HIS A 38 5.001 4.629 -9.405 1.00 0.25 C ATOM 548 CG HIS A 38 3.782 5.391 -8.980 1.00 0.41 C ATOM 549 ND1 HIS A 38 2.861 5.882 -9.874 1.00 0.52 N ATOM 550 CD2 HIS A 38 3.338 5.753 -7.753 1.00 0.56 C ATOM 551 CE1 HIS A 38 1.909 6.516 -9.223 1.00 0.67 C ATOM 552 NE2 HIS A 38 2.170 6.454 -7.931 1.00 0.69 N ATOM 0 H HIS A 38 7.801 4.065 -9.723 1.00 0.17 H new ATOM 0 HA HIS A 38 6.086 6.453 -9.724 1.00 0.19 H new ATOM 0 HB2 HIS A 38 4.858 4.269 -10.424 1.00 0.25 H new ATOM 0 HB3 HIS A 38 5.112 3.751 -8.769 1.00 0.25 H new ATOM 0 HD2 HIS A 38 3.814 5.532 -6.809 1.00 0.56 H new ATOM 0 HE1 HIS A 38 1.057 7.005 -9.671 1.00 0.67 H new ATOM 0 HE2 HIS A 38 1.600 6.859 -7.188 1.00 0.69 H new ATOM 561 N THR A 39 6.763 6.751 -7.356 1.00 0.18 N ATOM 562 CA THR A 39 7.243 6.962 -6.001 1.00 0.17 C ATOM 563 C THR A 39 6.067 7.180 -5.022 1.00 0.19 C ATOM 564 O THR A 39 5.064 7.792 -5.388 1.00 0.30 O ATOM 565 CB THR A 39 8.192 8.176 -5.961 1.00 0.22 C ATOM 566 OG1 THR A 39 9.220 8.019 -6.953 1.00 0.23 O ATOM 567 CG2 THR A 39 8.823 8.330 -4.589 1.00 0.23 C ATOM 0 H THR A 39 6.452 7.597 -7.833 1.00 0.18 H new ATOM 0 HA THR A 39 7.785 6.069 -5.690 1.00 0.17 H new ATOM 0 HB THR A 39 7.611 9.073 -6.173 1.00 0.22 H new ATOM 0 HG1 THR A 39 9.821 8.793 -6.927 1.00 0.23 H new ATOM 0 HG21 THR A 39 9.488 9.194 -4.589 1.00 0.23 H new ATOM 0 HG22 THR A 39 8.041 8.474 -3.843 1.00 0.23 H new ATOM 0 HG23 THR A 39 9.394 7.433 -4.348 1.00 0.23 H new ATOM 575 N VAL A 40 6.180 6.653 -3.798 1.00 0.13 N ATOM 576 CA VAL A 40 5.139 6.814 -2.772 1.00 0.18 C ATOM 577 C VAL A 40 5.663 7.541 -1.522 1.00 0.11 C ATOM 578 O VAL A 40 6.696 7.161 -0.977 1.00 0.11 O ATOM 579 CB VAL A 40 4.600 5.436 -2.332 1.00 0.30 C ATOM 580 CG1 VAL A 40 3.752 5.559 -1.083 1.00 0.47 C ATOM 581 CG2 VAL A 40 3.798 4.786 -3.437 1.00 0.66 C ATOM 0 H VAL A 40 6.986 6.108 -3.491 1.00 0.13 H new ATOM 0 HA VAL A 40 4.348 7.413 -3.224 1.00 0.18 H new ATOM 0 HB VAL A 40 5.460 4.804 -2.110 1.00 0.30 H new ATOM 0 HG11 VAL A 40 3.385 4.574 -0.794 1.00 0.47 H new ATOM 0 HG12 VAL A 40 4.354 5.973 -0.274 1.00 0.47 H new ATOM 0 HG13 VAL A 40 2.907 6.218 -1.281 1.00 0.47 H new ATOM 0 HG21 VAL A 40 3.431 3.817 -3.099 1.00 0.66 H new ATOM 0 HG22 VAL A 40 2.953 5.424 -3.697 1.00 0.66 H new ATOM 0 HG23 VAL A 40 4.431 4.648 -4.313 1.00 0.66 H new ATOM 591 N VAL A 41 4.942 8.575 -1.067 1.00 0.10 N ATOM 592 CA VAL A 41 5.249 9.231 0.203 1.00 0.10 C ATOM 593 C VAL A 41 4.465 8.575 1.328 1.00 0.08 C ATOM 594 O VAL A 41 3.247 8.716 1.430 1.00 0.09 O ATOM 595 CB VAL A 41 4.943 10.748 0.193 1.00 0.13 C ATOM 596 CG1 VAL A 41 5.338 11.393 1.522 1.00 0.14 C ATOM 597 CG2 VAL A 41 5.656 11.430 -0.959 1.00 0.18 C ATOM 0 H VAL A 41 4.143 8.972 -1.562 1.00 0.10 H new ATOM 0 HA VAL A 41 6.321 9.115 0.360 1.00 0.10 H new ATOM 0 HB VAL A 41 3.869 10.874 0.058 1.00 0.13 H new ATOM 0 HG11 VAL A 41 5.113 12.459 1.490 1.00 0.14 H new ATOM 0 HG12 VAL A 41 4.777 10.928 2.333 1.00 0.14 H new ATOM 0 HG13 VAL A 41 6.405 11.252 1.692 1.00 0.14 H new ATOM 0 HG21 VAL A 41 5.428 12.496 -0.948 1.00 0.18 H new ATOM 0 HG22 VAL A 41 6.732 11.288 -0.856 1.00 0.18 H new ATOM 0 HG23 VAL A 41 5.321 10.997 -1.902 1.00 0.18 H new ATOM 607 N LEU A 42 5.192 7.860 2.153 1.00 0.08 N ATOM 608 CA LEU A 42 4.659 7.162 3.322 1.00 0.09 C ATOM 609 C LEU A 42 3.790 8.066 4.196 1.00 0.10 C ATOM 610 O LEU A 42 2.803 7.614 4.767 1.00 0.12 O ATOM 611 CB LEU A 42 5.810 6.606 4.160 1.00 0.10 C ATOM 612 CG LEU A 42 6.447 5.302 3.664 1.00 0.10 C ATOM 613 CD1 LEU A 42 5.617 4.129 4.127 1.00 0.12 C ATOM 614 CD2 LEU A 42 6.600 5.272 2.146 1.00 0.10 C ATOM 0 H LEU A 42 6.198 7.738 2.036 1.00 0.08 H new ATOM 0 HA LEU A 42 4.029 6.353 2.954 1.00 0.09 H new ATOM 0 HB2 LEU A 42 6.589 7.366 4.218 1.00 0.10 H new ATOM 0 HB3 LEU A 42 5.447 6.444 5.175 1.00 0.10 H new ATOM 0 HG LEU A 42 7.450 5.240 4.087 1.00 0.10 H new ATOM 0 HD11 LEU A 42 6.069 3.202 3.775 1.00 0.12 H new ATOM 0 HD12 LEU A 42 5.574 4.121 5.216 1.00 0.12 H new ATOM 0 HD13 LEU A 42 4.608 4.216 3.725 1.00 0.12 H new ATOM 0 HD21 LEU A 42 7.056 4.329 1.845 1.00 0.10 H new ATOM 0 HD22 LEU A 42 5.619 5.367 1.680 1.00 0.10 H new ATOM 0 HD23 LEU A 42 7.235 6.099 1.828 1.00 0.10 H new ATOM 626 N SER A 43 4.154 9.338 4.297 1.00 0.12 N ATOM 627 CA SER A 43 3.400 10.269 5.132 1.00 0.15 C ATOM 628 C SER A 43 2.080 10.668 4.477 1.00 0.14 C ATOM 629 O SER A 43 1.103 10.961 5.162 1.00 0.17 O ATOM 630 CB SER A 43 4.225 11.505 5.436 1.00 0.20 C ATOM 631 OG SER A 43 5.327 11.178 6.255 1.00 1.06 O ATOM 0 H SER A 43 4.957 9.747 3.818 1.00 0.12 H new ATOM 0 HA SER A 43 3.172 9.757 6.067 1.00 0.15 H new ATOM 0 HB2 SER A 43 4.576 11.952 4.506 1.00 0.20 H new ATOM 0 HB3 SER A 43 3.604 12.250 5.933 1.00 0.20 H new ATOM 0 HG SER A 43 5.055 11.207 7.196 1.00 1.06 H new ATOM 637 N THR A 44 2.045 10.683 3.149 1.00 0.13 N ATOM 638 CA THR A 44 0.802 10.955 2.438 1.00 0.14 C ATOM 639 C THR A 44 -0.054 9.696 2.397 1.00 0.13 C ATOM 640 O THR A 44 -1.206 9.718 1.978 1.00 0.18 O ATOM 641 CB THR A 44 1.050 11.474 1.004 1.00 0.16 C ATOM 642 OG1 THR A 44 1.815 10.527 0.248 1.00 0.17 O ATOM 643 CG2 THR A 44 1.785 12.806 1.034 1.00 0.20 C ATOM 0 H THR A 44 2.852 10.512 2.550 1.00 0.13 H new ATOM 0 HA THR A 44 0.278 11.742 2.981 1.00 0.14 H new ATOM 0 HB THR A 44 0.079 11.612 0.528 1.00 0.16 H new ATOM 0 HG1 THR A 44 2.092 9.790 0.831 1.00 0.17 H new ATOM 0 HG21 THR A 44 1.950 13.154 0.014 1.00 0.20 H new ATOM 0 HG22 THR A 44 1.187 13.539 1.575 1.00 0.20 H new ATOM 0 HG23 THR A 44 2.745 12.680 1.534 1.00 0.20 H new ATOM 651 N ILE A 45 0.542 8.600 2.830 1.00 0.11 N ATOM 652 CA ILE A 45 -0.143 7.336 2.976 1.00 0.12 C ATOM 653 C ILE A 45 -0.911 7.270 4.305 1.00 0.16 C ATOM 654 O ILE A 45 -0.395 7.641 5.361 1.00 0.23 O ATOM 655 CB ILE A 45 0.874 6.182 2.895 1.00 0.12 C ATOM 656 CG1 ILE A 45 1.561 6.150 1.520 1.00 0.10 C ATOM 657 CG2 ILE A 45 0.209 4.857 3.188 1.00 0.16 C ATOM 658 CD1 ILE A 45 0.632 5.835 0.348 1.00 0.10 C ATOM 0 H ILE A 45 1.527 8.566 3.092 1.00 0.11 H new ATOM 0 HA ILE A 45 -0.866 7.242 2.166 1.00 0.12 H new ATOM 0 HB ILE A 45 1.638 6.356 3.653 1.00 0.12 H new ATOM 0 HG12 ILE A 45 2.033 7.116 1.342 1.00 0.10 H new ATOM 0 HG13 ILE A 45 2.358 5.406 1.544 1.00 0.10 H new ATOM 0 HG21 ILE A 45 0.947 4.058 3.125 1.00 0.16 H new ATOM 0 HG22 ILE A 45 -0.218 4.878 4.191 1.00 0.16 H new ATOM 0 HG23 ILE A 45 -0.583 4.678 2.460 1.00 0.16 H new ATOM 0 HD11 ILE A 45 1.204 5.834 -0.580 1.00 0.10 H new ATOM 0 HD12 ILE A 45 0.179 4.855 0.496 1.00 0.10 H new ATOM 0 HD13 ILE A 45 -0.151 6.591 0.291 1.00 0.10 H new ATOM 670 N ASP A 46 -2.164 6.838 4.217 1.00 0.16 N ATOM 671 CA ASP A 46 -3.027 6.612 5.377 1.00 0.22 C ATOM 672 C ASP A 46 -2.761 5.243 5.995 1.00 0.22 C ATOM 673 O ASP A 46 -2.714 5.091 7.216 1.00 0.28 O ATOM 674 CB ASP A 46 -4.499 6.699 4.943 1.00 0.28 C ATOM 675 CG ASP A 46 -5.476 6.203 5.994 1.00 0.46 C ATOM 676 OD1 ASP A 46 -5.603 6.856 7.050 1.00 0.70 O ATOM 677 OD2 ASP A 46 -6.086 5.133 5.789 1.00 0.61 O ATOM 0 H ASP A 46 -2.618 6.631 3.327 1.00 0.16 H new ATOM 0 HA ASP A 46 -2.811 7.377 6.123 1.00 0.22 H new ATOM 0 HB2 ASP A 46 -4.736 7.735 4.699 1.00 0.28 H new ATOM 0 HB3 ASP A 46 -4.635 6.118 4.031 1.00 0.28 H new ATOM 682 N LYS A 47 -2.579 4.256 5.131 1.00 0.21 N ATOM 683 CA LYS A 47 -2.459 2.864 5.543 1.00 0.27 C ATOM 684 C LYS A 47 -1.487 2.120 4.642 1.00 0.18 C ATOM 685 O LYS A 47 -1.438 2.374 3.448 1.00 0.20 O ATOM 686 CB LYS A 47 -3.832 2.181 5.434 1.00 0.41 C ATOM 687 CG LYS A 47 -4.744 2.364 6.627 1.00 1.07 C ATOM 688 CD LYS A 47 -4.128 1.836 7.896 1.00 1.01 C ATOM 689 CE LYS A 47 -5.091 1.965 9.051 1.00 1.60 C ATOM 690 NZ LYS A 47 -4.404 1.817 10.358 1.00 1.95 N ATOM 0 H LYS A 47 -2.510 4.397 4.123 1.00 0.21 H new ATOM 0 HA LYS A 47 -2.094 2.840 6.570 1.00 0.27 H new ATOM 0 HB2 LYS A 47 -4.340 2.563 4.548 1.00 0.41 H new ATOM 0 HB3 LYS A 47 -3.677 1.114 5.277 1.00 0.41 H new ATOM 0 HG2 LYS A 47 -4.973 3.423 6.749 1.00 1.07 H new ATOM 0 HG3 LYS A 47 -5.689 1.852 6.443 1.00 1.07 H new ATOM 0 HD2 LYS A 47 -3.850 0.791 7.763 1.00 1.01 H new ATOM 0 HD3 LYS A 47 -3.212 2.384 8.117 1.00 1.01 H new ATOM 0 HE2 LYS A 47 -5.584 2.936 9.007 1.00 1.60 H new ATOM 0 HE3 LYS A 47 -5.870 1.208 8.962 1.00 1.60 H new ATOM 0 HZ1 LYS A 47 -5.112 1.725 11.114 1.00 1.95 H new ATOM 0 HZ2 LYS A 47 -3.804 0.968 10.340 1.00 1.95 H new ATOM 0 HZ3 LYS A 47 -3.814 2.655 10.537 1.00 1.95 H new ATOM 704 N LEU A 48 -0.708 1.213 5.191 1.00 0.14 N ATOM 705 CA LEU A 48 -0.042 0.239 4.353 1.00 0.10 C ATOM 706 C LEU A 48 -0.632 -1.127 4.604 1.00 0.11 C ATOM 707 O LEU A 48 -0.897 -1.515 5.738 1.00 0.14 O ATOM 708 CB LEU A 48 1.463 0.173 4.559 1.00 0.10 C ATOM 709 CG LEU A 48 2.085 -1.113 4.020 1.00 0.11 C ATOM 710 CD1 LEU A 48 2.121 -1.117 2.511 1.00 0.12 C ATOM 711 CD2 LEU A 48 3.473 -1.303 4.547 1.00 0.13 C ATOM 0 H LEU A 48 -0.523 1.129 6.190 1.00 0.14 H new ATOM 0 HA LEU A 48 -0.204 0.561 3.324 1.00 0.10 H new ATOM 0 HB2 LEU A 48 1.929 1.028 4.069 1.00 0.10 H new ATOM 0 HB3 LEU A 48 1.682 0.257 5.623 1.00 0.10 H new ATOM 0 HG LEU A 48 1.457 -1.936 4.360 1.00 0.11 H new ATOM 0 HD11 LEU A 48 2.570 -2.046 2.160 1.00 0.12 H new ATOM 0 HD12 LEU A 48 1.106 -1.035 2.123 1.00 0.12 H new ATOM 0 HD13 LEU A 48 2.714 -0.273 2.159 1.00 0.12 H new ATOM 0 HD21 LEU A 48 3.891 -2.227 4.147 1.00 0.13 H new ATOM 0 HD22 LEU A 48 4.096 -0.461 4.244 1.00 0.13 H new ATOM 0 HD23 LEU A 48 3.444 -1.360 5.635 1.00 0.13 H new ATOM 723 N GLN A 49 -0.795 -1.847 3.534 1.00 0.10 N ATOM 724 CA GLN A 49 -1.369 -3.164 3.569 1.00 0.11 C ATOM 725 C GLN A 49 -0.365 -4.179 3.072 1.00 0.10 C ATOM 726 O GLN A 49 0.546 -3.854 2.311 1.00 0.12 O ATOM 727 CB GLN A 49 -2.600 -3.227 2.689 1.00 0.15 C ATOM 728 CG GLN A 49 -3.754 -2.348 3.147 1.00 0.27 C ATOM 729 CD GLN A 49 -4.400 -2.849 4.425 1.00 0.86 C ATOM 730 OE1 GLN A 49 -4.022 -2.455 5.527 1.00 1.49 O ATOM 731 NE2 GLN A 49 -5.374 -3.734 4.286 1.00 1.03 N ATOM 0 H GLN A 49 -0.531 -1.535 2.600 1.00 0.10 H new ATOM 0 HA GLN A 49 -1.646 -3.388 4.599 1.00 0.11 H new ATOM 0 HB2 GLN A 49 -2.321 -2.938 1.676 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -2.944 -4.260 2.642 1.00 0.15 H new ATOM 0 HG2 GLN A 49 -3.392 -1.332 3.302 1.00 0.27 H new ATOM 0 HG3 GLN A 49 -4.505 -2.302 2.359 1.00 0.27 H new ATOM 0 HE21 GLN A 49 -5.659 -4.036 3.355 1.00 1.03 H new ATOM 0 HE22 GLN A 49 -5.839 -4.114 5.110 1.00 1.03 H new ATOM 740 N ALA A 50 -0.556 -5.396 3.502 1.00 0.11 N ATOM 741 CA ALA A 50 0.294 -6.507 3.128 1.00 0.13 C ATOM 742 C ALA A 50 -0.437 -7.804 3.445 1.00 0.18 C ATOM 743 O ALA A 50 -1.170 -7.866 4.430 1.00 0.25 O ATOM 744 CB ALA A 50 1.617 -6.426 3.879 1.00 0.16 C ATOM 0 H ALA A 50 -1.316 -5.654 4.132 1.00 0.11 H new ATOM 0 HA ALA A 50 0.515 -6.472 2.061 1.00 0.13 H new ATOM 0 HB1 ALA A 50 2.250 -7.265 3.592 1.00 0.16 H new ATOM 0 HB2 ALA A 50 2.119 -5.491 3.631 1.00 0.16 H new ATOM 0 HB3 ALA A 50 1.429 -6.464 4.952 1.00 0.16 H new ATOM 750 N THR A 51 -0.264 -8.815 2.605 1.00 0.17 N ATOM 751 CA THR A 51 -0.936 -10.100 2.792 1.00 0.22 C ATOM 752 C THR A 51 -0.658 -10.670 4.186 1.00 0.33 C ATOM 753 O THR A 51 0.489 -10.769 4.628 1.00 0.37 O ATOM 754 CB THR A 51 -0.492 -11.113 1.715 1.00 0.21 C ATOM 755 OG1 THR A 51 0.922 -11.259 1.705 1.00 0.25 O ATOM 756 CG2 THR A 51 -0.952 -10.690 0.335 1.00 0.20 C ATOM 0 H THR A 51 0.338 -8.773 1.783 1.00 0.17 H new ATOM 0 HA THR A 51 -2.008 -9.927 2.694 1.00 0.22 H new ATOM 0 HB THR A 51 -0.954 -12.067 1.968 1.00 0.21 H new ATOM 0 HG1 THR A 51 1.342 -10.376 1.760 1.00 0.25 H new ATOM 0 HG21 THR A 51 -0.623 -11.425 -0.399 1.00 0.20 H new ATOM 0 HG22 THR A 51 -2.040 -10.623 0.319 1.00 0.20 H new ATOM 0 HG23 THR A 51 -0.525 -9.717 0.091 1.00 0.20 H new ATOM 764 N PRO A 52 -1.734 -10.992 4.903 1.00 0.41 N ATOM 765 CA PRO A 52 -1.688 -11.611 6.234 1.00 0.54 C ATOM 766 C PRO A 52 -1.240 -13.064 6.173 1.00 0.61 C ATOM 767 O PRO A 52 -1.162 -13.645 5.095 1.00 0.58 O ATOM 768 CB PRO A 52 -3.141 -11.528 6.698 1.00 0.64 C ATOM 769 CG PRO A 52 -3.919 -11.543 5.441 1.00 0.60 C ATOM 770 CD PRO A 52 -3.113 -10.758 4.464 1.00 0.45 C ATOM 0 HA PRO A 52 -0.978 -11.117 6.897 1.00 0.54 H new ATOM 0 HB2 PRO A 52 -3.404 -12.369 7.340 1.00 0.64 H new ATOM 0 HB3 PRO A 52 -3.326 -10.619 7.271 1.00 0.64 H new ATOM 0 HG2 PRO A 52 -4.077 -12.563 5.090 1.00 0.60 H new ATOM 0 HG3 PRO A 52 -4.904 -11.099 5.584 1.00 0.60 H new ATOM 0 HD2 PRO A 52 -3.274 -11.101 3.442 1.00 0.45 H new ATOM 0 HD3 PRO A 52 -3.369 -9.699 4.489 1.00 0.45 H new ATOM 778 N ALA A 53 -0.923 -13.645 7.322 1.00 0.73 N ATOM 779 CA ALA A 53 -0.597 -15.067 7.395 1.00 0.86 C ATOM 780 C ALA A 53 -1.777 -15.917 6.916 1.00 0.91 C ATOM 781 O ALA A 53 -1.604 -17.059 6.490 1.00 1.00 O ATOM 782 CB ALA A 53 -0.207 -15.448 8.816 1.00 1.02 C ATOM 0 H ALA A 53 -0.884 -13.156 8.216 1.00 0.73 H new ATOM 0 HA ALA A 53 0.251 -15.260 6.738 1.00 0.86 H new ATOM 0 HB1 ALA A 53 0.033 -16.510 8.855 1.00 1.02 H new ATOM 0 HB2 ALA A 53 0.663 -14.868 9.122 1.00 1.02 H new ATOM 0 HB3 ALA A 53 -1.038 -15.239 9.490 1.00 1.02 H new ATOM 788 N SER A 54 -2.977 -15.349 7.006 1.00 0.89 N ATOM 789 CA SER A 54 -4.185 -15.977 6.481 1.00 0.98 C ATOM 790 C SER A 54 -4.147 -15.997 4.955 1.00 0.88 C ATOM 791 O SER A 54 -4.795 -16.817 4.306 1.00 0.97 O ATOM 792 CB SER A 54 -5.415 -15.206 6.967 1.00 1.07 C ATOM 793 OG SER A 54 -6.626 -15.859 6.614 1.00 1.58 O ATOM 0 H SER A 54 -3.139 -14.442 7.444 1.00 0.89 H new ATOM 0 HA SER A 54 -4.240 -17.004 6.841 1.00 0.98 H new ATOM 0 HB2 SER A 54 -5.367 -15.092 8.050 1.00 1.07 H new ATOM 0 HB3 SER A 54 -5.406 -14.203 6.540 1.00 1.07 H new ATOM 0 HG SER A 54 -7.387 -15.337 6.943 1.00 1.58 H new ATOM 799 N SER A 55 -3.383 -15.078 4.394 1.00 0.71 N ATOM 800 CA SER A 55 -3.181 -15.017 2.960 1.00 0.61 C ATOM 801 C SER A 55 -2.061 -15.974 2.569 1.00 0.63 C ATOM 802 O SER A 55 -1.054 -16.082 3.270 1.00 0.71 O ATOM 803 CB SER A 55 -2.813 -13.591 2.528 1.00 0.55 C ATOM 804 OG SER A 55 -2.727 -13.485 1.118 1.00 0.54 O ATOM 0 H SER A 55 -2.887 -14.356 4.918 1.00 0.71 H new ATOM 0 HA SER A 55 -4.106 -15.304 2.460 1.00 0.61 H new ATOM 0 HB2 SER A 55 -3.560 -12.891 2.902 1.00 0.55 H new ATOM 0 HB3 SER A 55 -1.860 -13.308 2.975 1.00 0.55 H new ATOM 0 HG SER A 55 -2.970 -12.576 0.843 1.00 0.54 H new ATOM 810 N GLU A 56 -2.238 -16.676 1.458 1.00 0.61 N ATOM 811 CA GLU A 56 -1.198 -17.547 0.947 1.00 0.69 C ATOM 812 C GLU A 56 -0.362 -16.776 -0.050 1.00 0.60 C ATOM 813 O GLU A 56 0.709 -17.215 -0.470 1.00 0.70 O ATOM 814 CB GLU A 56 -1.797 -18.778 0.292 1.00 0.80 C ATOM 815 CG GLU A 56 -2.425 -19.738 1.276 1.00 1.19 C ATOM 816 CD GLU A 56 -1.440 -20.255 2.304 1.00 2.20 C ATOM 817 OE1 GLU A 56 -0.651 -21.166 1.977 1.00 2.89 O ATOM 818 OE2 GLU A 56 -1.443 -19.749 3.444 1.00 2.66 O ATOM 0 H GLU A 56 -3.090 -16.657 0.898 1.00 0.61 H new ATOM 0 HA GLU A 56 -0.572 -17.882 1.774 1.00 0.69 H new ATOM 0 HB2 GLU A 56 -2.551 -18.465 -0.430 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -1.018 -19.299 -0.265 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -3.248 -19.239 1.787 1.00 1.19 H new ATOM 0 HG3 GLU A 56 -2.851 -20.581 0.732 1.00 1.19 H new ATOM 825 N LYS A 57 -0.878 -15.614 -0.424 1.00 0.46 N ATOM 826 CA LYS A 57 -0.240 -14.771 -1.400 1.00 0.39 C ATOM 827 C LYS A 57 0.709 -13.797 -0.731 1.00 0.32 C ATOM 828 O LYS A 57 0.807 -13.744 0.496 1.00 0.39 O ATOM 829 CB LYS A 57 -1.277 -14.005 -2.212 1.00 0.41 C ATOM 830 CG LYS A 57 -2.213 -14.887 -3.009 1.00 0.56 C ATOM 831 CD LYS A 57 -3.193 -15.621 -2.138 1.00 0.89 C ATOM 832 CE LYS A 57 -4.041 -14.650 -1.344 1.00 1.84 C ATOM 833 NZ LYS A 57 -5.203 -15.302 -0.681 1.00 2.59 N ATOM 0 H LYS A 57 -1.751 -15.238 -0.054 1.00 0.46 H new ATOM 0 HA LYS A 57 0.330 -15.412 -2.072 1.00 0.39 H new ATOM 0 HB2 LYS A 57 -1.866 -13.385 -1.536 1.00 0.41 H new ATOM 0 HB3 LYS A 57 -0.761 -13.330 -2.895 1.00 0.41 H new ATOM 0 HG2 LYS A 57 -2.758 -14.276 -3.729 1.00 0.56 H new ATOM 0 HG3 LYS A 57 -1.629 -15.608 -3.581 1.00 0.56 H new ATOM 0 HD2 LYS A 57 -3.834 -16.250 -2.755 1.00 0.89 H new ATOM 0 HD3 LYS A 57 -2.657 -16.283 -1.458 1.00 0.89 H new ATOM 0 HE2 LYS A 57 -3.421 -14.169 -0.588 1.00 1.84 H new ATOM 0 HE3 LYS A 57 -4.402 -13.864 -2.008 1.00 1.84 H new ATOM 0 HZ1 LYS A 57 -5.746 -14.589 -0.153 1.00 2.59 H new ATOM 0 HZ2 LYS A 57 -5.813 -15.739 -1.401 1.00 2.59 H new ATOM 0 HZ3 LYS A 57 -4.863 -16.034 -0.025 1.00 2.59 H new ATOM 847 N MET A 58 1.400 -13.026 -1.543 1.00 0.27 N ATOM 848 CA MET A 58 2.367 -12.068 -1.049 1.00 0.25 C ATOM 849 C MET A 58 2.182 -10.755 -1.785 1.00 0.23 C ATOM 850 O MET A 58 2.509 -10.648 -2.961 1.00 0.29 O ATOM 851 CB MET A 58 3.783 -12.589 -1.304 1.00 0.29 C ATOM 852 CG MET A 58 3.822 -13.956 -1.984 1.00 0.42 C ATOM 853 SD MET A 58 3.634 -15.329 -0.831 1.00 1.78 S ATOM 854 CE MET A 58 3.733 -16.716 -1.960 1.00 1.53 C ATOM 0 H MET A 58 1.309 -13.045 -2.559 1.00 0.27 H new ATOM 0 HA MET A 58 2.221 -11.921 0.021 1.00 0.25 H new ATOM 0 HB2 MET A 58 4.319 -11.870 -1.923 1.00 0.29 H new ATOM 0 HB3 MET A 58 4.314 -12.650 -0.354 1.00 0.29 H new ATOM 0 HG2 MET A 58 3.029 -14.006 -2.731 1.00 0.42 H new ATOM 0 HG3 MET A 58 4.768 -14.063 -2.515 1.00 0.42 H new ATOM 0 HE1 MET A 58 3.634 -17.647 -1.402 1.00 1.53 H new ATOM 0 HE2 MET A 58 2.930 -16.646 -2.694 1.00 1.53 H new ATOM 0 HE3 MET A 58 4.695 -16.701 -2.472 1.00 1.53 H new ATOM 864 N MET A 59 1.683 -9.753 -1.095 1.00 0.20 N ATOM 865 CA MET A 59 1.343 -8.490 -1.735 1.00 0.21 C ATOM 866 C MET A 59 1.357 -7.347 -0.737 1.00 0.18 C ATOM 867 O MET A 59 1.099 -7.542 0.449 1.00 0.26 O ATOM 868 CB MET A 59 -0.033 -8.570 -2.417 1.00 0.27 C ATOM 869 CG MET A 59 -0.030 -9.277 -3.763 1.00 0.64 C ATOM 870 SD MET A 59 -1.668 -9.394 -4.516 1.00 1.30 S ATOM 871 CE MET A 59 -2.402 -10.700 -3.537 1.00 0.62 C ATOM 0 H MET A 59 1.502 -9.783 -0.092 1.00 0.20 H new ATOM 0 HA MET A 59 2.101 -8.297 -2.495 1.00 0.21 H new ATOM 0 HB2 MET A 59 -0.725 -9.086 -1.751 1.00 0.27 H new ATOM 0 HB3 MET A 59 -0.416 -7.559 -2.553 1.00 0.27 H new ATOM 0 HG2 MET A 59 0.637 -8.746 -4.442 1.00 0.64 H new ATOM 0 HG3 MET A 59 0.376 -10.281 -3.637 1.00 0.64 H new ATOM 0 HE1 MET A 59 -2.563 -11.578 -4.163 1.00 0.62 H new ATOM 0 HE2 MET A 59 -1.734 -10.958 -2.715 1.00 0.62 H new ATOM 0 HE3 MET A 59 -3.357 -10.361 -3.136 1.00 0.62 H new ATOM 881 N LEU A 60 1.674 -6.167 -1.233 1.00 0.12 N ATOM 882 CA LEU A 60 1.621 -4.942 -0.450 1.00 0.10 C ATOM 883 C LEU A 60 0.672 -3.936 -1.098 1.00 0.10 C ATOM 884 O LEU A 60 0.422 -3.997 -2.301 1.00 0.13 O ATOM 885 CB LEU A 60 3.004 -4.314 -0.356 1.00 0.13 C ATOM 886 CG LEU A 60 3.658 -4.395 1.013 1.00 0.11 C ATOM 887 CD1 LEU A 60 4.359 -5.720 1.221 1.00 0.12 C ATOM 888 CD2 LEU A 60 4.632 -3.258 1.184 1.00 0.14 C ATOM 0 H LEU A 60 1.978 -6.027 -2.197 1.00 0.12 H new ATOM 0 HA LEU A 60 1.262 -5.196 0.547 1.00 0.10 H new ATOM 0 HB2 LEU A 60 3.656 -4.799 -1.082 1.00 0.13 H new ATOM 0 HB3 LEU A 60 2.930 -3.265 -0.645 1.00 0.13 H new ATOM 0 HG LEU A 60 2.873 -4.317 1.765 1.00 0.11 H new ATOM 0 HD11 LEU A 60 4.814 -5.739 2.211 1.00 0.12 H new ATOM 0 HD12 LEU A 60 3.636 -6.531 1.138 1.00 0.12 H new ATOM 0 HD13 LEU A 60 5.133 -5.845 0.464 1.00 0.12 H new ATOM 0 HD21 LEU A 60 5.097 -3.322 2.168 1.00 0.14 H new ATOM 0 HD22 LEU A 60 5.401 -3.319 0.414 1.00 0.14 H new ATOM 0 HD23 LEU A 60 4.103 -2.309 1.094 1.00 0.14 H new ATOM 900 N ARG A 61 0.148 -3.007 -0.308 1.00 0.10 N ATOM 901 CA ARG A 61 -0.684 -1.936 -0.843 1.00 0.11 C ATOM 902 C ARG A 61 -0.626 -0.699 0.056 1.00 0.11 C ATOM 903 O ARG A 61 -1.100 -0.717 1.183 1.00 0.11 O ATOM 904 CB ARG A 61 -2.129 -2.417 -1.008 1.00 0.16 C ATOM 905 CG ARG A 61 -3.024 -1.465 -1.780 1.00 0.32 C ATOM 906 CD ARG A 61 -4.466 -1.933 -1.725 1.00 0.56 C ATOM 907 NE ARG A 61 -5.258 -1.471 -2.862 1.00 1.35 N ATOM 908 CZ ARG A 61 -6.534 -1.807 -3.058 1.00 1.67 C ATOM 909 NH1 ARG A 61 -7.161 -2.589 -2.187 1.00 1.46 N ATOM 910 NH2 ARG A 61 -7.181 -1.357 -4.124 1.00 2.72 N ATOM 0 H ARG A 61 0.284 -2.973 0.702 1.00 0.10 H new ATOM 0 HA ARG A 61 -0.297 -1.658 -1.823 1.00 0.11 H new ATOM 0 HB2 ARG A 61 -2.122 -3.381 -1.516 1.00 0.16 H new ATOM 0 HB3 ARG A 61 -2.560 -2.580 -0.020 1.00 0.16 H new ATOM 0 HG2 ARG A 61 -2.945 -0.461 -1.362 1.00 0.32 H new ATOM 0 HG3 ARG A 61 -2.694 -1.405 -2.817 1.00 0.32 H new ATOM 0 HD2 ARG A 61 -4.488 -3.022 -1.692 1.00 0.56 H new ATOM 0 HD3 ARG A 61 -4.923 -1.577 -0.802 1.00 0.56 H new ATOM 0 HE ARG A 61 -4.811 -0.858 -3.544 1.00 1.35 H new ATOM 0 HH11 ARG A 61 -6.667 -2.935 -1.364 1.00 1.46 H new ATOM 0 HH12 ARG A 61 -8.137 -2.844 -2.340 1.00 1.46 H new ATOM 0 HH21 ARG A 61 -6.703 -0.754 -4.794 1.00 2.72 H new ATOM 0 HH22 ARG A 61 -8.157 -1.614 -4.274 1.00 2.72 H new ATOM 924 N LEU A 62 -0.047 0.372 -0.459 1.00 0.11 N ATOM 925 CA LEU A 62 0.080 1.621 0.280 1.00 0.11 C ATOM 926 C LEU A 62 -1.094 2.553 -0.039 1.00 0.15 C ATOM 927 O LEU A 62 -1.213 3.066 -1.147 1.00 0.19 O ATOM 928 CB LEU A 62 1.433 2.279 -0.037 1.00 0.12 C ATOM 929 CG LEU A 62 2.572 1.821 0.885 1.00 0.20 C ATOM 930 CD1 LEU A 62 3.939 2.115 0.294 1.00 0.90 C ATOM 931 CD2 LEU A 62 2.454 2.486 2.239 1.00 0.86 C ATOM 0 H LEU A 62 0.348 0.403 -1.399 1.00 0.11 H new ATOM 0 HA LEU A 62 0.049 1.414 1.350 1.00 0.11 H new ATOM 0 HB2 LEU A 62 1.702 2.057 -1.070 1.00 0.12 H new ATOM 0 HB3 LEU A 62 1.328 3.361 0.040 1.00 0.12 H new ATOM 0 HG LEU A 62 2.478 0.741 0.995 1.00 0.20 H new ATOM 0 HD11 LEU A 62 4.713 1.774 0.981 1.00 0.90 H new ATOM 0 HD12 LEU A 62 4.043 1.595 -0.658 1.00 0.90 H new ATOM 0 HD13 LEU A 62 4.043 3.188 0.134 1.00 0.90 H new ATOM 0 HD21 LEU A 62 3.269 2.151 2.881 1.00 0.86 H new ATOM 0 HD22 LEU A 62 2.508 3.568 2.119 1.00 0.86 H new ATOM 0 HD23 LEU A 62 1.500 2.219 2.694 1.00 0.86 H new ATOM 943 N ILE A 63 -1.944 2.768 0.952 1.00 0.17 N ATOM 944 CA ILE A 63 -3.184 3.528 0.802 1.00 0.23 C ATOM 945 C ILE A 63 -2.910 5.013 0.992 1.00 0.21 C ATOM 946 O ILE A 63 -2.692 5.454 2.112 1.00 0.25 O ATOM 947 CB ILE A 63 -4.212 3.135 1.897 1.00 0.30 C ATOM 948 CG1 ILE A 63 -4.104 1.655 2.285 1.00 0.30 C ATOM 949 CG2 ILE A 63 -5.633 3.470 1.469 1.00 0.40 C ATOM 950 CD1 ILE A 63 -4.366 0.681 1.176 1.00 0.33 C ATOM 0 H ILE A 63 -1.794 2.417 1.898 1.00 0.17 H new ATOM 0 HA ILE A 63 -3.574 3.312 -0.193 1.00 0.23 H new ATOM 0 HB ILE A 63 -3.970 3.727 2.780 1.00 0.30 H new ATOM 0 HG12 ILE A 63 -3.104 1.472 2.679 1.00 0.30 H new ATOM 0 HG13 ILE A 63 -4.807 1.456 3.094 1.00 0.30 H new ATOM 0 HG21 ILE A 63 -6.328 3.182 2.258 1.00 0.40 H new ATOM 0 HG22 ILE A 63 -5.715 4.541 1.286 1.00 0.40 H new ATOM 0 HG23 ILE A 63 -5.876 2.927 0.556 1.00 0.40 H new ATOM 0 HD11 ILE A 63 -4.265 -0.336 1.554 1.00 0.33 H new ATOM 0 HD12 ILE A 63 -5.376 0.827 0.794 1.00 0.33 H new ATOM 0 HD13 ILE A 63 -3.648 0.843 0.372 1.00 0.33 H new ATOM 962 N GLY A 64 -2.923 5.785 -0.082 1.00 0.27 N ATOM 963 CA GLY A 64 -2.663 7.206 0.046 1.00 0.30 C ATOM 964 C GLY A 64 -3.891 7.972 0.491 1.00 0.35 C ATOM 965 O GLY A 64 -4.995 7.691 0.028 1.00 0.48 O ATOM 0 H GLY A 64 -3.107 5.460 -1.031 1.00 0.27 H new ATOM 0 HA2 GLY A 64 -1.858 7.364 0.764 1.00 0.30 H new ATOM 0 HA3 GLY A 64 -2.318 7.599 -0.911 1.00 0.30 H new ATOM 969 N LYS A 65 -3.688 8.939 1.385 1.00 0.30 N ATOM 970 CA LYS A 65 -4.778 9.738 1.940 1.00 0.33 C ATOM 971 C LYS A 65 -5.627 10.362 0.841 1.00 0.38 C ATOM 972 O LYS A 65 -5.108 10.896 -0.143 1.00 0.41 O ATOM 973 CB LYS A 65 -4.232 10.834 2.863 1.00 0.34 C ATOM 974 CG LYS A 65 -4.009 10.369 4.292 1.00 0.36 C ATOM 975 CD LYS A 65 -2.565 10.512 4.737 1.00 0.40 C ATOM 976 CE LYS A 65 -2.419 10.213 6.219 1.00 0.43 C ATOM 977 NZ LYS A 65 -0.996 10.117 6.638 1.00 1.15 N ATOM 0 H LYS A 65 -2.766 9.189 1.743 1.00 0.30 H new ATOM 0 HA LYS A 65 -5.411 9.067 2.521 1.00 0.33 H new ATOM 0 HB2 LYS A 65 -3.289 11.202 2.458 1.00 0.34 H new ATOM 0 HB3 LYS A 65 -4.927 11.674 2.867 1.00 0.34 H new ATOM 0 HG2 LYS A 65 -4.649 10.944 4.961 1.00 0.36 H new ATOM 0 HG3 LYS A 65 -4.311 9.325 4.381 1.00 0.36 H new ATOM 0 HD2 LYS A 65 -1.935 9.834 4.162 1.00 0.40 H new ATOM 0 HD3 LYS A 65 -2.216 11.524 4.531 1.00 0.40 H new ATOM 0 HE2 LYS A 65 -2.913 10.995 6.795 1.00 0.43 H new ATOM 0 HE3 LYS A 65 -2.927 9.277 6.450 1.00 0.43 H new ATOM 0 HZ1 LYS A 65 -0.917 10.335 7.652 1.00 1.15 H new ATOM 0 HZ2 LYS A 65 -0.647 9.153 6.463 1.00 1.15 H new ATOM 0 HZ3 LYS A 65 -0.427 10.795 6.093 1.00 1.15 H new ATOM 991 N VAL A 66 -6.935 10.291 1.017 1.00 0.42 N ATOM 992 CA VAL A 66 -7.864 10.772 0.012 1.00 0.51 C ATOM 993 C VAL A 66 -8.143 12.249 0.192 1.00 0.57 C ATOM 994 O VAL A 66 -8.091 12.785 1.301 1.00 0.61 O ATOM 995 CB VAL A 66 -9.193 9.988 0.036 1.00 0.57 C ATOM 996 CG1 VAL A 66 -9.935 10.192 1.351 1.00 0.58 C ATOM 997 CG2 VAL A 66 -10.078 10.355 -1.149 1.00 0.69 C ATOM 0 H VAL A 66 -7.378 9.903 1.850 1.00 0.42 H new ATOM 0 HA VAL A 66 -7.390 10.613 -0.956 1.00 0.51 H new ATOM 0 HB VAL A 66 -8.945 8.930 -0.048 1.00 0.57 H new ATOM 0 HG11 VAL A 66 -10.867 9.626 1.335 1.00 0.58 H new ATOM 0 HG12 VAL A 66 -9.314 9.845 2.177 1.00 0.58 H new ATOM 0 HG13 VAL A 66 -10.156 11.251 1.484 1.00 0.58 H new ATOM 0 HG21 VAL A 66 -11.006 9.785 -1.101 1.00 0.69 H new ATOM 0 HG22 VAL A 66 -10.305 11.421 -1.117 1.00 0.69 H new ATOM 0 HG23 VAL A 66 -9.557 10.123 -2.078 1.00 0.69 H new ATOM 1007 N ASP A 67 -8.425 12.895 -0.913 1.00 0.73 N ATOM 1008 CA ASP A 67 -8.753 14.295 -0.930 1.00 0.89 C ATOM 1009 C ASP A 67 -10.265 14.475 -0.860 1.00 0.98 C ATOM 1010 O ASP A 67 -10.933 14.692 -1.868 1.00 1.33 O ATOM 1011 CB ASP A 67 -8.166 14.944 -2.190 1.00 1.25 C ATOM 1012 CG ASP A 67 -8.426 14.157 -3.467 1.00 1.91 C ATOM 1013 OD1 ASP A 67 -8.009 12.980 -3.548 1.00 2.56 O ATOM 1014 OD2 ASP A 67 -9.069 14.702 -4.392 1.00 2.29 O ATOM 0 H ASP A 67 -8.433 12.457 -1.834 1.00 0.73 H new ATOM 0 HA ASP A 67 -8.319 14.788 -0.060 1.00 0.89 H new ATOM 0 HB2 ASP A 67 -8.584 15.945 -2.300 1.00 1.25 H new ATOM 0 HB3 ASP A 67 -7.090 15.061 -2.059 1.00 1.25 H new ATOM 1019 N GLU A 68 -10.796 14.389 0.355 1.00 1.24 N ATOM 1020 CA GLU A 68 -12.233 14.469 0.573 1.00 1.65 C ATOM 1021 C GLU A 68 -12.704 15.913 0.622 1.00 1.54 C ATOM 1022 O GLU A 68 -13.825 16.224 0.219 1.00 1.96 O ATOM 1023 CB GLU A 68 -12.652 13.724 1.830 1.00 2.31 C ATOM 1024 CG GLU A 68 -11.530 13.471 2.800 1.00 2.77 C ATOM 1025 CD GLU A 68 -11.051 14.724 3.505 1.00 3.14 C ATOM 1026 OE1 GLU A 68 -10.139 15.393 2.977 1.00 3.27 O ATOM 1027 OE2 GLU A 68 -11.579 15.041 4.592 1.00 3.79 O ATOM 0 H GLU A 68 -10.249 14.263 1.206 1.00 1.24 H new ATOM 0 HA GLU A 68 -12.714 13.984 -0.276 1.00 1.65 H new ATOM 0 HB2 GLU A 68 -13.432 14.295 2.334 1.00 2.31 H new ATOM 0 HB3 GLU A 68 -13.092 12.769 1.543 1.00 2.31 H new ATOM 0 HG2 GLU A 68 -11.860 12.747 3.545 1.00 2.77 H new ATOM 0 HG3 GLU A 68 -10.693 13.020 2.267 1.00 2.77 H new ATOM 1034 N SER A 69 -11.843 16.789 1.123 1.00 1.50 N ATOM 1035 CA SER A 69 -12.122 18.215 1.123 1.00 2.01 C ATOM 1036 C SER A 69 -12.215 18.716 -0.314 1.00 2.42 C ATOM 1037 O SER A 69 -12.997 19.615 -0.634 1.00 2.92 O ATOM 1038 CB SER A 69 -11.034 18.958 1.892 1.00 2.57 C ATOM 1039 OG SER A 69 -9.741 18.566 1.457 1.00 3.05 O ATOM 0 H SER A 69 -10.945 16.535 1.535 1.00 1.50 H new ATOM 0 HA SER A 69 -13.075 18.402 1.618 1.00 2.01 H new ATOM 0 HB2 SER A 69 -11.157 20.032 1.755 1.00 2.57 H new ATOM 0 HB3 SER A 69 -11.138 18.759 2.959 1.00 2.57 H new ATOM 0 HG SER A 69 -9.062 19.058 1.964 1.00 3.05 H new ATOM 1045 N LYS A 70 -11.423 18.102 -1.181 1.00 2.48 N ATOM 1046 CA LYS A 70 -11.466 18.383 -2.604 1.00 3.28 C ATOM 1047 C LYS A 70 -12.518 17.497 -3.263 1.00 3.00 C ATOM 1048 O LYS A 70 -12.192 16.639 -4.086 1.00 2.93 O ATOM 1049 CB LYS A 70 -10.097 18.120 -3.235 1.00 4.20 C ATOM 1050 CG LYS A 70 -8.941 18.727 -2.458 1.00 4.31 C ATOM 1051 CD LYS A 70 -8.977 20.242 -2.487 1.00 4.26 C ATOM 1052 CE LYS A 70 -8.765 20.769 -3.893 1.00 4.89 C ATOM 1053 NZ LYS A 70 -7.468 20.327 -4.467 1.00 5.48 N ATOM 0 H LYS A 70 -10.735 17.397 -0.916 1.00 2.48 H new ATOM 0 HA LYS A 70 -11.726 19.431 -2.755 1.00 3.28 H new ATOM 0 HB2 LYS A 70 -9.944 17.044 -3.315 1.00 4.20 H new ATOM 0 HB3 LYS A 70 -10.091 18.519 -4.249 1.00 4.20 H new ATOM 0 HG2 LYS A 70 -8.977 18.382 -1.425 1.00 4.31 H new ATOM 0 HG3 LYS A 70 -7.998 18.378 -2.878 1.00 4.31 H new ATOM 0 HD2 LYS A 70 -9.936 20.593 -2.105 1.00 4.26 H new ATOM 0 HD3 LYS A 70 -8.206 20.639 -1.827 1.00 4.26 H new ATOM 0 HE2 LYS A 70 -9.579 20.429 -4.533 1.00 4.89 H new ATOM 0 HE3 LYS A 70 -8.803 21.858 -3.881 1.00 4.89 H new ATOM 0 HZ1 LYS A 70 -7.230 20.923 -5.285 1.00 5.48 H new ATOM 0 HZ2 LYS A 70 -6.722 20.413 -3.747 1.00 5.48 H new ATOM 0 HZ3 LYS A 70 -7.543 19.335 -4.771 1.00 5.48 H new ATOM 1067 N LYS A 71 -13.772 17.701 -2.875 1.00 2.96 N ATOM 1068 CA LYS A 71 -14.878 16.891 -3.354 1.00 2.86 C ATOM 1069 C LYS A 71 -14.897 16.804 -4.873 1.00 2.90 C ATOM 1070 O LYS A 71 -14.862 17.816 -5.579 1.00 3.09 O ATOM 1071 CB LYS A 71 -16.200 17.424 -2.820 1.00 3.08 C ATOM 1072 CG LYS A 71 -16.411 18.888 -3.096 1.00 3.27 C ATOM 1073 CD LYS A 71 -17.647 19.410 -2.386 1.00 3.56 C ATOM 1074 CE LYS A 71 -18.932 18.876 -2.991 1.00 3.84 C ATOM 1075 NZ LYS A 71 -19.098 19.278 -4.412 1.00 4.42 N ATOM 0 H LYS A 71 -14.047 18.433 -2.220 1.00 2.96 H new ATOM 0 HA LYS A 71 -14.736 15.879 -2.976 1.00 2.86 H new ATOM 0 HB2 LYS A 71 -17.018 16.857 -3.265 1.00 3.08 H new ATOM 0 HB3 LYS A 71 -16.243 17.255 -1.744 1.00 3.08 H new ATOM 0 HG2 LYS A 71 -15.537 19.451 -2.770 1.00 3.27 H new ATOM 0 HG3 LYS A 71 -16.511 19.047 -4.170 1.00 3.27 H new ATOM 0 HD2 LYS A 71 -17.602 19.132 -1.333 1.00 3.56 H new ATOM 0 HD3 LYS A 71 -17.654 20.499 -2.428 1.00 3.56 H new ATOM 0 HE2 LYS A 71 -18.939 17.788 -2.921 1.00 3.84 H new ATOM 0 HE3 LYS A 71 -19.781 19.239 -2.412 1.00 3.84 H new ATOM 0 HZ1 LYS A 71 -20.086 19.132 -4.701 1.00 4.42 H new ATOM 0 HZ2 LYS A 71 -18.850 20.282 -4.520 1.00 4.42 H new ATOM 0 HZ3 LYS A 71 -18.473 18.701 -5.011 1.00 4.42 H new ATOM 1089 N ARG A 72 -14.933 15.581 -5.364 1.00 2.81 N ATOM 1090 CA ARG A 72 -14.875 15.321 -6.790 1.00 3.01 C ATOM 1091 C ARG A 72 -16.288 15.239 -7.349 1.00 3.30 C ATOM 1092 O ARG A 72 -17.256 15.261 -6.599 1.00 3.34 O ATOM 1093 CB ARG A 72 -14.078 14.035 -7.079 1.00 2.81 C ATOM 1094 CG ARG A 72 -14.914 12.796 -7.320 1.00 2.72 C ATOM 1095 CD ARG A 72 -14.131 11.740 -8.088 1.00 2.78 C ATOM 1096 NE ARG A 72 -12.750 11.610 -7.617 1.00 3.13 N ATOM 1097 CZ ARG A 72 -11.909 10.658 -8.026 1.00 3.60 C ATOM 1098 NH1 ARG A 72 -12.315 9.727 -8.879 1.00 3.79 N ATOM 1099 NH2 ARG A 72 -10.661 10.633 -7.578 1.00 4.27 N ATOM 0 H ARG A 72 -15.003 14.742 -4.789 1.00 2.81 H new ATOM 0 HA ARG A 72 -14.354 16.141 -7.285 1.00 3.01 H new ATOM 0 HB2 ARG A 72 -13.450 14.205 -7.954 1.00 2.81 H new ATOM 0 HB3 ARG A 72 -13.410 13.845 -6.239 1.00 2.81 H new ATOM 0 HG2 ARG A 72 -15.243 12.385 -6.365 1.00 2.72 H new ATOM 0 HG3 ARG A 72 -15.812 13.063 -7.878 1.00 2.72 H new ATOM 0 HD2 ARG A 72 -14.635 10.778 -7.993 1.00 2.78 H new ATOM 0 HD3 ARG A 72 -14.127 11.995 -9.148 1.00 2.78 H new ATOM 0 HE ARG A 72 -12.411 12.288 -6.935 1.00 3.13 H new ATOM 0 HH11 ARG A 72 -13.274 9.736 -9.226 1.00 3.79 H new ATOM 0 HH12 ARG A 72 -11.668 9.002 -9.188 1.00 3.79 H new ATOM 0 HH21 ARG A 72 -10.341 11.343 -6.919 1.00 4.27 H new ATOM 0 HH22 ARG A 72 -10.021 9.904 -7.893 1.00 4.27 H new ATOM 1113 N LYS A 73 -16.403 15.183 -8.660 1.00 3.60 N ATOM 1114 CA LYS A 73 -17.697 15.136 -9.322 1.00 3.94 C ATOM 1115 C LYS A 73 -17.661 14.158 -10.488 1.00 4.08 C ATOM 1116 O LYS A 73 -16.606 13.914 -11.073 1.00 4.10 O ATOM 1117 CB LYS A 73 -18.128 16.524 -9.795 1.00 4.37 C ATOM 1118 CG LYS A 73 -17.029 17.564 -9.747 1.00 4.48 C ATOM 1119 CD LYS A 73 -15.989 17.336 -10.828 1.00 4.57 C ATOM 1120 CE LYS A 73 -14.689 18.050 -10.509 1.00 4.59 C ATOM 1121 NZ LYS A 73 -14.851 19.527 -10.473 1.00 5.09 N ATOM 0 H LYS A 73 -15.607 15.169 -9.298 1.00 3.60 H new ATOM 0 HA LYS A 73 -18.434 14.788 -8.598 1.00 3.94 H new ATOM 0 HB2 LYS A 73 -18.497 16.449 -10.818 1.00 4.37 H new ATOM 0 HB3 LYS A 73 -18.961 16.863 -9.179 1.00 4.37 H new ATOM 0 HG2 LYS A 73 -17.463 18.557 -9.864 1.00 4.48 H new ATOM 0 HG3 LYS A 73 -16.548 17.540 -8.769 1.00 4.48 H new ATOM 0 HD2 LYS A 73 -15.802 16.267 -10.934 1.00 4.57 H new ATOM 0 HD3 LYS A 73 -16.374 17.689 -11.785 1.00 4.57 H new ATOM 0 HE2 LYS A 73 -14.314 17.704 -9.546 1.00 4.59 H new ATOM 0 HE3 LYS A 73 -13.940 17.787 -11.256 1.00 4.59 H new ATOM 0 HZ1 LYS A 73 -13.925 19.974 -10.319 1.00 5.09 H new ATOM 0 HZ2 LYS A 73 -15.248 19.855 -11.377 1.00 5.09 H new ATOM 0 HZ3 LYS A 73 -15.494 19.787 -9.698 1.00 5.09 H new ATOM 1135 N ASP A 74 -18.817 13.591 -10.800 1.00 4.26 N ATOM 1136 CA ASP A 74 -18.934 12.593 -11.853 1.00 4.45 C ATOM 1137 C ASP A 74 -19.203 13.291 -13.191 1.00 4.86 C ATOM 1138 O ASP A 74 -19.024 14.503 -13.286 1.00 4.98 O ATOM 1139 CB ASP A 74 -20.046 11.597 -11.477 1.00 4.49 C ATOM 1140 CG ASP A 74 -20.112 10.373 -12.380 1.00 4.58 C ATOM 1141 OD1 ASP A 74 -19.369 9.398 -12.126 1.00 4.39 O ATOM 1142 OD2 ASP A 74 -20.906 10.381 -13.344 1.00 4.91 O ATOM 0 H ASP A 74 -19.697 13.809 -10.333 1.00 4.26 H new ATOM 0 HA ASP A 74 -18.006 12.032 -11.961 1.00 4.45 H new ATOM 0 HB2 ASP A 74 -19.894 11.269 -10.449 1.00 4.49 H new ATOM 0 HB3 ASP A 74 -21.006 12.111 -11.509 1.00 4.49 H new ATOM 1147 N ASN A 75 -19.662 12.557 -14.196 1.00 5.14 N ATOM 1148 CA ASN A 75 -19.742 13.068 -15.568 1.00 5.57 C ATOM 1149 C ASN A 75 -20.596 14.330 -15.684 1.00 5.81 C ATOM 1150 O ASN A 75 -20.354 15.168 -16.553 1.00 6.14 O ATOM 1151 CB ASN A 75 -20.286 11.994 -16.512 1.00 5.82 C ATOM 1152 CG ASN A 75 -19.426 10.744 -16.529 1.00 6.19 C ATOM 1153 OD1 ASN A 75 -18.228 10.798 -16.255 1.00 6.35 O ATOM 1154 ND2 ASN A 75 -20.023 9.615 -16.870 1.00 6.68 N ATOM 0 H ASN A 75 -19.989 11.597 -14.090 1.00 5.14 H new ATOM 0 HA ASN A 75 -18.725 13.334 -15.855 1.00 5.57 H new ATOM 0 HB2 ASN A 75 -21.299 11.729 -16.210 1.00 5.82 H new ATOM 0 HB3 ASN A 75 -20.350 12.401 -17.521 1.00 5.82 H new ATOM 0 HD21 ASN A 75 -19.488 8.748 -16.913 1.00 6.68 H new ATOM 0 HD22 ASN A 75 -21.019 9.611 -17.090 1.00 6.68 H new ATOM 1161 N GLU A 76 -21.573 14.491 -14.798 1.00 5.70 N ATOM 1162 CA GLU A 76 -22.488 15.614 -14.896 1.00 6.00 C ATOM 1163 C GLU A 76 -21.853 16.842 -14.272 1.00 5.89 C ATOM 1164 O GLU A 76 -22.267 17.977 -14.507 1.00 6.16 O ATOM 1165 CB GLU A 76 -23.798 15.291 -14.185 1.00 6.08 C ATOM 1166 CG GLU A 76 -24.934 16.214 -14.566 1.00 6.28 C ATOM 1167 CD GLU A 76 -25.382 15.998 -15.995 1.00 6.80 C ATOM 1168 OE1 GLU A 76 -25.921 14.911 -16.291 1.00 7.13 O ATOM 1169 OE2 GLU A 76 -25.200 16.909 -16.829 1.00 7.08 O ATOM 0 H GLU A 76 -21.748 13.864 -14.013 1.00 5.70 H new ATOM 0 HA GLU A 76 -22.699 15.809 -15.947 1.00 6.00 H new ATOM 0 HB2 GLU A 76 -24.083 14.264 -14.413 1.00 6.08 H new ATOM 0 HB3 GLU A 76 -23.641 15.346 -13.108 1.00 6.08 H new ATOM 0 HG2 GLU A 76 -25.776 16.050 -13.893 1.00 6.28 H new ATOM 0 HG3 GLU A 76 -24.619 17.250 -14.437 1.00 6.28 H new ATOM 1176 N GLY A 77 -20.836 16.590 -13.472 1.00 5.53 N ATOM 1177 CA GLY A 77 -20.194 17.653 -12.721 1.00 5.43 C ATOM 1178 C GLY A 77 -20.893 17.813 -11.400 1.00 5.30 C ATOM 1179 O GLY A 77 -20.959 18.897 -10.824 1.00 5.44 O ATOM 0 H GLY A 77 -20.437 15.663 -13.325 1.00 5.53 H new ATOM 0 HA2 GLY A 77 -19.141 17.419 -12.563 1.00 5.43 H new ATOM 0 HA3 GLY A 77 -20.233 18.586 -13.282 1.00 5.43 H new ATOM 1183 N ASN A 78 -21.402 16.689 -10.939 1.00 5.12 N ATOM 1184 CA ASN A 78 -22.299 16.624 -9.804 1.00 5.11 C ATOM 1185 C ASN A 78 -21.537 16.545 -8.477 1.00 4.81 C ATOM 1186 O ASN A 78 -21.249 17.580 -7.875 1.00 5.14 O ATOM 1187 CB ASN A 78 -23.248 15.434 -10.013 1.00 5.08 C ATOM 1188 CG ASN A 78 -22.537 14.229 -10.566 1.00 5.24 C ATOM 1189 OD1 ASN A 78 -21.424 13.901 -10.172 1.00 5.62 O ATOM 1190 ND2 ASN A 78 -23.155 13.593 -11.529 1.00 5.20 N ATOM 0 H ASN A 78 -21.200 15.778 -11.351 1.00 5.12 H new ATOM 0 HA ASN A 78 -22.885 17.541 -9.741 1.00 5.11 H new ATOM 0 HB2 ASN A 78 -23.716 15.174 -9.063 1.00 5.08 H new ATOM 0 HB3 ASN A 78 -24.048 15.725 -10.693 1.00 5.08 H new ATOM 0 HD21 ASN A 78 -22.710 12.793 -11.980 1.00 5.20 H new ATOM 0 HD22 ASN A 78 -24.081 13.897 -11.829 1.00 5.20 H new ATOM 1197 N GLU A 79 -21.177 15.333 -8.043 1.00 4.33 N ATOM 1198 CA GLU A 79 -20.461 15.145 -6.780 1.00 3.99 C ATOM 1199 C GLU A 79 -20.214 13.665 -6.486 1.00 3.71 C ATOM 1200 O GLU A 79 -21.145 12.858 -6.440 1.00 3.86 O ATOM 1201 CB GLU A 79 -21.221 15.778 -5.609 1.00 4.17 C ATOM 1202 CG GLU A 79 -22.633 15.266 -5.452 1.00 4.39 C ATOM 1203 CD GLU A 79 -23.356 15.903 -4.288 1.00 4.64 C ATOM 1204 OE1 GLU A 79 -23.272 15.366 -3.165 1.00 4.66 O ATOM 1205 OE2 GLU A 79 -24.009 16.950 -4.487 1.00 5.00 O ATOM 0 H GLU A 79 -21.370 14.468 -8.549 1.00 4.33 H new ATOM 0 HA GLU A 79 -19.498 15.644 -6.889 1.00 3.99 H new ATOM 0 HB2 GLU A 79 -20.671 15.590 -4.687 1.00 4.17 H new ATOM 0 HB3 GLU A 79 -21.249 16.859 -5.748 1.00 4.17 H new ATOM 0 HG2 GLU A 79 -23.189 15.458 -6.369 1.00 4.39 H new ATOM 0 HG3 GLU A 79 -22.610 14.185 -5.313 1.00 4.39 H new ATOM 1212 N VAL A 80 -18.949 13.309 -6.332 1.00 3.33 N ATOM 1213 CA VAL A 80 -18.568 11.987 -5.857 1.00 3.02 C ATOM 1214 C VAL A 80 -17.598 12.127 -4.696 1.00 2.68 C ATOM 1215 O VAL A 80 -16.807 13.071 -4.648 1.00 2.62 O ATOM 1216 CB VAL A 80 -17.876 11.132 -6.938 1.00 2.92 C ATOM 1217 CG1 VAL A 80 -17.940 9.654 -6.585 1.00 2.77 C ATOM 1218 CG2 VAL A 80 -18.468 11.385 -8.312 1.00 3.31 C ATOM 0 H VAL A 80 -18.160 13.924 -6.531 1.00 3.33 H new ATOM 0 HA VAL A 80 -19.491 11.488 -5.563 1.00 3.02 H new ATOM 0 HB VAL A 80 -16.828 11.430 -6.971 1.00 2.92 H new ATOM 0 HG11 VAL A 80 -17.445 9.072 -7.363 1.00 2.77 H new ATOM 0 HG12 VAL A 80 -17.439 9.486 -5.632 1.00 2.77 H new ATOM 0 HG13 VAL A 80 -18.982 9.343 -6.507 1.00 2.77 H new ATOM 0 HG21 VAL A 80 -17.956 10.766 -9.048 1.00 3.31 H new ATOM 0 HG22 VAL A 80 -19.529 11.135 -8.303 1.00 3.31 H new ATOM 0 HG23 VAL A 80 -18.345 12.436 -8.573 1.00 3.31 H new ATOM 1228 N VAL A 81 -17.657 11.196 -3.772 1.00 2.52 N ATOM 1229 CA VAL A 81 -16.669 11.125 -2.717 1.00 2.22 C ATOM 1230 C VAL A 81 -15.869 9.834 -2.874 1.00 1.84 C ATOM 1231 O VAL A 81 -16.280 8.752 -2.446 1.00 1.82 O ATOM 1232 CB VAL A 81 -17.297 11.248 -1.302 1.00 2.45 C ATOM 1233 CG1 VAL A 81 -18.426 10.246 -1.095 1.00 2.77 C ATOM 1234 CG2 VAL A 81 -16.232 11.092 -0.225 1.00 2.45 C ATOM 0 H VAL A 81 -18.379 10.476 -3.728 1.00 2.52 H new ATOM 0 HA VAL A 81 -15.998 11.979 -2.811 1.00 2.22 H new ATOM 0 HB VAL A 81 -17.728 12.246 -1.221 1.00 2.45 H new ATOM 0 HG11 VAL A 81 -18.839 10.365 -0.093 1.00 2.77 H new ATOM 0 HG12 VAL A 81 -19.209 10.422 -1.833 1.00 2.77 H new ATOM 0 HG13 VAL A 81 -18.040 9.233 -1.211 1.00 2.77 H new ATOM 0 HG21 VAL A 81 -16.693 11.182 0.759 1.00 2.45 H new ATOM 0 HG22 VAL A 81 -15.762 10.113 -0.317 1.00 2.45 H new ATOM 0 HG23 VAL A 81 -15.478 11.870 -0.344 1.00 2.45 H new ATOM 1244 N PRO A 82 -14.714 9.948 -3.534 1.00 1.62 N ATOM 1245 CA PRO A 82 -13.899 8.802 -3.921 1.00 1.35 C ATOM 1246 C PRO A 82 -13.187 8.135 -2.756 1.00 1.10 C ATOM 1247 O PRO A 82 -13.021 8.719 -1.681 1.00 1.10 O ATOM 1248 CB PRO A 82 -12.886 9.411 -4.880 1.00 1.48 C ATOM 1249 CG PRO A 82 -12.768 10.823 -4.451 1.00 1.62 C ATOM 1250 CD PRO A 82 -14.116 11.220 -3.973 1.00 1.78 C ATOM 0 HA PRO A 82 -14.511 8.008 -4.348 1.00 1.35 H new ATOM 0 HB2 PRO A 82 -11.926 8.897 -4.822 1.00 1.48 H new ATOM 0 HB3 PRO A 82 -13.225 9.338 -5.913 1.00 1.48 H new ATOM 0 HG2 PRO A 82 -12.026 10.929 -3.659 1.00 1.62 H new ATOM 0 HG3 PRO A 82 -12.445 11.456 -5.277 1.00 1.62 H new ATOM 0 HD2 PRO A 82 -14.056 11.939 -3.156 1.00 1.78 H new ATOM 0 HD3 PRO A 82 -14.701 11.686 -4.765 1.00 1.78 H new ATOM 1258 N LYS A 83 -12.782 6.898 -2.985 1.00 1.01 N ATOM 1259 CA LYS A 83 -11.997 6.152 -2.021 1.00 0.88 C ATOM 1260 C LYS A 83 -10.531 6.509 -2.202 1.00 0.75 C ATOM 1261 O LYS A 83 -10.095 6.786 -3.320 1.00 0.79 O ATOM 1262 CB LYS A 83 -12.200 4.640 -2.201 1.00 0.99 C ATOM 1263 CG LYS A 83 -13.585 4.139 -1.798 1.00 1.56 C ATOM 1264 CD LYS A 83 -14.664 4.531 -2.800 1.00 2.07 C ATOM 1265 CE LYS A 83 -14.456 3.859 -4.150 1.00 2.35 C ATOM 1266 NZ LYS A 83 -15.546 4.183 -5.105 1.00 3.11 N ATOM 0 H LYS A 83 -12.988 6.385 -3.842 1.00 1.01 H new ATOM 0 HA LYS A 83 -12.322 6.414 -1.014 1.00 0.88 H new ATOM 0 HB2 LYS A 83 -12.024 4.383 -3.246 1.00 0.99 H new ATOM 0 HB3 LYS A 83 -11.450 4.112 -1.612 1.00 0.99 H new ATOM 0 HG2 LYS A 83 -13.561 3.054 -1.702 1.00 1.56 H new ATOM 0 HG3 LYS A 83 -13.842 4.540 -0.818 1.00 1.56 H new ATOM 0 HD2 LYS A 83 -15.643 4.258 -2.405 1.00 2.07 H new ATOM 0 HD3 LYS A 83 -14.663 5.613 -2.929 1.00 2.07 H new ATOM 0 HE2 LYS A 83 -13.501 4.175 -4.569 1.00 2.35 H new ATOM 0 HE3 LYS A 83 -14.403 2.779 -4.013 1.00 2.35 H new ATOM 0 HZ1 LYS A 83 -15.366 3.706 -6.012 1.00 3.11 H new ATOM 0 HZ2 LYS A 83 -16.455 3.859 -4.717 1.00 3.11 H new ATOM 0 HZ3 LYS A 83 -15.581 5.211 -5.256 1.00 3.11 H new ATOM 1280 N PRO A 84 -9.760 6.533 -1.103 1.00 0.64 N ATOM 1281 CA PRO A 84 -8.343 6.887 -1.143 1.00 0.54 C ATOM 1282 C PRO A 84 -7.572 6.054 -2.150 1.00 0.52 C ATOM 1283 O PRO A 84 -7.702 4.831 -2.187 1.00 0.57 O ATOM 1284 CB PRO A 84 -7.841 6.601 0.269 1.00 0.48 C ATOM 1285 CG PRO A 84 -9.052 6.573 1.139 1.00 0.56 C ATOM 1286 CD PRO A 84 -10.221 6.217 0.260 1.00 0.67 C ATOM 0 HA PRO A 84 -8.203 7.924 -1.449 1.00 0.54 H new ATOM 0 HB2 PRO A 84 -7.310 5.650 0.309 1.00 0.48 H new ATOM 0 HB3 PRO A 84 -7.142 7.370 0.598 1.00 0.48 H new ATOM 0 HG2 PRO A 84 -8.935 5.842 1.939 1.00 0.56 H new ATOM 0 HG3 PRO A 84 -9.208 7.542 1.613 1.00 0.56 H new ATOM 0 HD2 PRO A 84 -10.485 5.164 0.357 1.00 0.67 H new ATOM 0 HD3 PRO A 84 -11.108 6.794 0.524 1.00 0.67 H new ATOM 1294 N GLN A 85 -6.769 6.722 -2.966 1.00 0.51 N ATOM 1295 CA GLN A 85 -6.018 6.033 -4.001 1.00 0.52 C ATOM 1296 C GLN A 85 -4.868 5.237 -3.403 1.00 0.43 C ATOM 1297 O GLN A 85 -3.940 5.769 -2.803 1.00 0.54 O ATOM 1298 CB GLN A 85 -5.561 6.979 -5.129 1.00 0.62 C ATOM 1299 CG GLN A 85 -5.171 8.391 -4.707 1.00 0.85 C ATOM 1300 CD GLN A 85 -3.784 8.482 -4.109 1.00 0.87 C ATOM 1301 OE1 GLN A 85 -3.698 8.433 -2.795 1.00 1.78 O flip ATOM 1302 NE2 GLN A 85 -2.798 8.633 -4.828 1.00 0.97 N flip ATOM 0 H GLN A 85 -6.623 7.731 -2.931 1.00 0.51 H new ATOM 0 HA GLN A 85 -6.694 5.320 -4.473 1.00 0.52 H new ATOM 0 HB2 GLN A 85 -4.708 6.524 -5.633 1.00 0.62 H new ATOM 0 HB3 GLN A 85 -6.364 7.050 -5.863 1.00 0.62 H new ATOM 0 HG2 GLN A 85 -5.228 9.049 -5.574 1.00 0.85 H new ATOM 0 HG3 GLN A 85 -5.896 8.758 -3.980 1.00 0.85 H new ATOM 0 HE21 GLN A 85 -2.906 8.666 -5.842 1.00 0.97 H new ATOM 0 HE22 GLN A 85 -1.872 8.725 -4.411 1.00 0.97 H new ATOM 1311 N ARG A 86 -4.971 3.938 -3.552 1.00 0.31 N ATOM 1312 CA ARG A 86 -4.033 3.025 -2.944 1.00 0.27 C ATOM 1313 C ARG A 86 -3.059 2.520 -3.987 1.00 0.26 C ATOM 1314 O ARG A 86 -3.420 2.311 -5.142 1.00 0.40 O ATOM 1315 CB ARG A 86 -4.783 1.845 -2.328 1.00 0.36 C ATOM 1316 CG ARG A 86 -6.127 2.235 -1.736 1.00 0.72 C ATOM 1317 CD ARG A 86 -6.955 1.017 -1.374 1.00 0.54 C ATOM 1318 NE ARG A 86 -8.199 1.371 -0.695 1.00 1.21 N ATOM 1319 CZ ARG A 86 -9.396 1.358 -1.281 1.00 1.48 C ATOM 1320 NH1 ARG A 86 -9.503 1.120 -2.582 1.00 1.48 N ATOM 1321 NH2 ARG A 86 -10.487 1.610 -0.569 1.00 2.29 N ATOM 0 H ARG A 86 -5.705 3.485 -4.096 1.00 0.31 H new ATOM 0 HA ARG A 86 -3.483 3.548 -2.162 1.00 0.27 H new ATOM 0 HB2 ARG A 86 -4.937 1.082 -3.091 1.00 0.36 H new ATOM 0 HB3 ARG A 86 -4.166 1.397 -1.549 1.00 0.36 H new ATOM 0 HG2 ARG A 86 -5.970 2.845 -0.847 1.00 0.72 H new ATOM 0 HG3 ARG A 86 -6.675 2.848 -2.451 1.00 0.72 H new ATOM 0 HD2 ARG A 86 -7.186 0.456 -2.279 1.00 0.54 H new ATOM 0 HD3 ARG A 86 -6.368 0.360 -0.732 1.00 0.54 H new ATOM 0 HE ARG A 86 -8.149 1.645 0.286 1.00 1.21 H new ATOM 0 HH11 ARG A 86 -8.667 0.946 -3.139 1.00 1.48 H new ATOM 0 HH12 ARG A 86 -10.422 1.111 -3.025 1.00 1.48 H new ATOM 0 HH21 ARG A 86 -10.410 1.814 0.427 1.00 2.29 H new ATOM 0 HH22 ARG A 86 -11.403 1.600 -1.018 1.00 2.29 H new ATOM 1335 N HIS A 87 -1.831 2.329 -3.569 1.00 0.19 N ATOM 1336 CA HIS A 87 -0.789 1.860 -4.451 1.00 0.18 C ATOM 1337 C HIS A 87 -0.493 0.404 -4.129 1.00 0.15 C ATOM 1338 O HIS A 87 0.052 0.102 -3.074 1.00 0.14 O ATOM 1339 CB HIS A 87 0.461 2.725 -4.249 1.00 0.21 C ATOM 1340 CG HIS A 87 0.189 4.202 -4.314 1.00 0.28 C ATOM 1341 ND1 HIS A 87 -0.140 4.864 -5.477 1.00 0.41 N ATOM 1342 CD2 HIS A 87 0.169 5.140 -3.335 1.00 0.36 C ATOM 1343 CE1 HIS A 87 -0.347 6.142 -5.210 1.00 0.50 C ATOM 1344 NE2 HIS A 87 -0.166 6.333 -3.921 1.00 0.47 N ATOM 0 H HIS A 87 -1.526 2.494 -2.610 1.00 0.19 H new ATOM 0 HA HIS A 87 -1.103 1.935 -5.492 1.00 0.18 H new ATOM 0 HB2 HIS A 87 0.904 2.488 -3.282 1.00 0.21 H new ATOM 0 HB3 HIS A 87 1.198 2.466 -5.009 1.00 0.21 H new ATOM 0 HD2 HIS A 87 0.378 4.977 -2.288 1.00 0.36 H new ATOM 0 HE1 HIS A 87 -0.619 6.901 -5.929 1.00 0.50 H new ATOM 0 HE2 HIS A 87 -0.260 7.225 -3.436 1.00 0.47 H new ATOM 1353 N MET A 88 -0.843 -0.496 -5.031 1.00 0.16 N ATOM 1354 CA MET A 88 -0.697 -1.921 -4.759 1.00 0.15 C ATOM 1355 C MET A 88 0.486 -2.498 -5.513 1.00 0.20 C ATOM 1356 O MET A 88 0.557 -2.413 -6.738 1.00 0.30 O ATOM 1357 CB MET A 88 -1.968 -2.699 -5.122 1.00 0.20 C ATOM 1358 CG MET A 88 -1.879 -4.178 -4.766 1.00 0.23 C ATOM 1359 SD MET A 88 -3.327 -5.132 -5.276 1.00 0.32 S ATOM 1360 CE MET A 88 -4.580 -4.509 -4.156 1.00 0.42 C ATOM 0 H MET A 88 -1.227 -0.272 -5.949 1.00 0.16 H new ATOM 0 HA MET A 88 -0.524 -2.025 -3.688 1.00 0.15 H new ATOM 0 HB2 MET A 88 -2.819 -2.256 -4.605 1.00 0.20 H new ATOM 0 HB3 MET A 88 -2.157 -2.598 -6.191 1.00 0.20 H new ATOM 0 HG2 MET A 88 -0.991 -4.603 -5.234 1.00 0.23 H new ATOM 0 HG3 MET A 88 -1.750 -4.277 -3.688 1.00 0.23 H new ATOM 0 HE1 MET A 88 -5.242 -5.323 -3.861 1.00 0.42 H new ATOM 0 HE2 MET A 88 -4.101 -4.092 -3.270 1.00 0.42 H new ATOM 0 HE3 MET A 88 -5.160 -3.733 -4.655 1.00 0.42 H new ATOM 1370 N PHE A 89 1.415 -3.073 -4.768 1.00 0.18 N ATOM 1371 CA PHE A 89 2.571 -3.712 -5.351 1.00 0.28 C ATOM 1372 C PHE A 89 2.539 -5.189 -5.008 1.00 0.31 C ATOM 1373 O PHE A 89 2.493 -5.563 -3.835 1.00 0.43 O ATOM 1374 CB PHE A 89 3.851 -3.084 -4.808 1.00 0.34 C ATOM 1375 CG PHE A 89 3.648 -1.708 -4.241 1.00 0.57 C ATOM 1376 CD1 PHE A 89 3.589 -0.609 -5.080 1.00 0.81 C ATOM 1377 CD2 PHE A 89 3.520 -1.515 -2.878 1.00 0.93 C ATOM 1378 CE1 PHE A 89 3.406 0.659 -4.569 1.00 1.17 C ATOM 1379 CE2 PHE A 89 3.336 -0.249 -2.361 1.00 1.26 C ATOM 1380 CZ PHE A 89 3.267 0.825 -3.176 1.00 1.33 C ATOM 0 H PHE A 89 1.385 -3.107 -3.749 1.00 0.18 H new ATOM 0 HA PHE A 89 2.552 -3.581 -6.433 1.00 0.28 H new ATOM 0 HB2 PHE A 89 4.264 -3.731 -4.033 1.00 0.34 H new ATOM 0 HB3 PHE A 89 4.590 -3.034 -5.608 1.00 0.34 H new ATOM 0 HD1 PHE A 89 3.687 -0.746 -6.147 1.00 0.81 H new ATOM 0 HD2 PHE A 89 3.564 -2.364 -2.211 1.00 0.93 H new ATOM 0 HE1 PHE A 89 3.370 1.514 -5.228 1.00 1.17 H new ATOM 0 HE2 PHE A 89 3.246 -0.116 -1.293 1.00 1.26 H new ATOM 0 HZ PHE A 89 3.106 1.809 -2.762 1.00 1.33 H new ATOM 1390 N SER A 90 2.563 -6.024 -6.020 1.00 0.26 N ATOM 1391 CA SER A 90 2.498 -7.447 -5.810 1.00 0.26 C ATOM 1392 C SER A 90 3.892 -8.033 -5.770 1.00 0.23 C ATOM 1393 O SER A 90 4.730 -7.739 -6.620 1.00 0.24 O ATOM 1394 CB SER A 90 1.663 -8.109 -6.907 1.00 0.28 C ATOM 1395 OG SER A 90 1.482 -9.492 -6.659 1.00 0.94 O ATOM 0 H SER A 90 2.627 -5.740 -6.998 1.00 0.26 H new ATOM 0 HA SER A 90 2.016 -7.639 -4.851 1.00 0.26 H new ATOM 0 HB2 SER A 90 0.691 -7.620 -6.971 1.00 0.28 H new ATOM 0 HB3 SER A 90 2.153 -7.972 -7.871 1.00 0.28 H new ATOM 0 HG SER A 90 0.943 -9.885 -7.377 1.00 0.94 H new ATOM 1401 N PHE A 91 4.138 -8.839 -4.764 1.00 0.21 N ATOM 1402 CA PHE A 91 5.403 -9.542 -4.651 1.00 0.21 C ATOM 1403 C PHE A 91 5.215 -11.020 -4.925 1.00 0.23 C ATOM 1404 O PHE A 91 4.096 -11.528 -4.949 1.00 0.28 O ATOM 1405 CB PHE A 91 6.016 -9.361 -3.264 1.00 0.30 C ATOM 1406 CG PHE A 91 6.715 -8.049 -3.073 1.00 0.63 C ATOM 1407 CD1 PHE A 91 7.903 -7.783 -3.727 1.00 0.91 C ATOM 1408 CD2 PHE A 91 6.189 -7.089 -2.234 1.00 0.99 C ATOM 1409 CE1 PHE A 91 8.554 -6.578 -3.547 1.00 1.20 C ATOM 1410 CE2 PHE A 91 6.836 -5.883 -2.046 1.00 1.29 C ATOM 1411 CZ PHE A 91 8.019 -5.627 -2.706 1.00 1.33 C ATOM 0 H PHE A 91 3.480 -9.027 -4.008 1.00 0.21 H new ATOM 0 HA PHE A 91 6.080 -9.117 -5.392 1.00 0.21 H new ATOM 0 HB2 PHE A 91 5.229 -9.454 -2.515 1.00 0.30 H new ATOM 0 HB3 PHE A 91 6.725 -10.169 -3.083 1.00 0.30 H new ATOM 0 HD1 PHE A 91 8.327 -8.526 -4.386 1.00 0.91 H new ATOM 0 HD2 PHE A 91 5.260 -7.282 -1.718 1.00 0.99 H new ATOM 0 HE1 PHE A 91 9.481 -6.382 -4.065 1.00 1.20 H new ATOM 0 HE2 PHE A 91 6.416 -5.142 -1.383 1.00 1.29 H new ATOM 0 HZ PHE A 91 8.525 -4.683 -2.564 1.00 1.33 H new ATOM 1421 N ASN A 92 6.319 -11.699 -5.142 1.00 0.31 N ATOM 1422 CA ASN A 92 6.297 -13.120 -5.444 1.00 0.39 C ATOM 1423 C ASN A 92 6.964 -13.903 -4.327 1.00 0.35 C ATOM 1424 O ASN A 92 7.003 -15.133 -4.351 1.00 0.42 O ATOM 1425 CB ASN A 92 7.003 -13.398 -6.775 1.00 0.51 C ATOM 1426 CG ASN A 92 6.225 -12.896 -7.982 1.00 0.80 C ATOM 1427 OD1 ASN A 92 5.474 -11.923 -7.904 1.00 1.53 O ATOM 1428 ND2 ASN A 92 6.402 -13.558 -9.112 1.00 1.27 N ATOM 0 H ASN A 92 7.253 -11.289 -5.115 1.00 0.31 H new ATOM 0 HA ASN A 92 5.258 -13.439 -5.529 1.00 0.39 H new ATOM 0 HB2 ASN A 92 7.986 -12.927 -6.763 1.00 0.51 H new ATOM 0 HB3 ASN A 92 7.165 -14.471 -6.876 1.00 0.51 H new ATOM 0 HD21 ASN A 92 5.909 -13.267 -9.956 1.00 1.27 H new ATOM 0 HD22 ASN A 92 7.032 -14.360 -9.140 1.00 1.27 H new ATOM 1435 N ASN A 93 7.490 -13.180 -3.348 1.00 0.30 N ATOM 1436 CA ASN A 93 8.158 -13.798 -2.218 1.00 0.32 C ATOM 1437 C ASN A 93 7.543 -13.295 -0.918 1.00 0.28 C ATOM 1438 O ASN A 93 7.514 -12.090 -0.648 1.00 0.23 O ATOM 1439 CB ASN A 93 9.659 -13.488 -2.257 1.00 0.37 C ATOM 1440 CG ASN A 93 10.462 -14.252 -1.214 1.00 0.44 C ATOM 1441 OD1 ASN A 93 9.961 -14.609 -0.150 1.00 0.71 O ATOM 1442 ND2 ASN A 93 11.726 -14.498 -1.507 1.00 0.83 N ATOM 0 H ASN A 93 7.465 -12.161 -3.317 1.00 0.30 H new ATOM 0 HA ASN A 93 8.028 -14.879 -2.273 1.00 0.32 H new ATOM 0 HB2 ASN A 93 10.046 -13.726 -3.248 1.00 0.37 H new ATOM 0 HB3 ASN A 93 9.806 -12.419 -2.106 1.00 0.37 H new ATOM 0 HD21 ASN A 93 12.316 -14.998 -0.841 1.00 0.83 H new ATOM 0 HD22 ASN A 93 12.112 -14.189 -2.399 1.00 0.83 H new ATOM 1449 N ARG A 94 7.040 -14.243 -0.136 1.00 0.34 N ATOM 1450 CA ARG A 94 6.409 -13.972 1.152 1.00 0.37 C ATOM 1451 C ARG A 94 7.329 -13.178 2.067 1.00 0.30 C ATOM 1452 O ARG A 94 6.882 -12.307 2.807 1.00 0.27 O ATOM 1453 CB ARG A 94 6.040 -15.297 1.824 1.00 0.57 C ATOM 1454 CG ARG A 94 5.443 -15.142 3.205 1.00 0.90 C ATOM 1455 CD ARG A 94 4.064 -14.540 3.122 1.00 0.71 C ATOM 1456 NE ARG A 94 3.467 -14.350 4.439 1.00 0.99 N ATOM 1457 CZ ARG A 94 2.678 -13.329 4.750 1.00 1.35 C ATOM 1458 NH1 ARG A 94 2.407 -12.403 3.843 1.00 2.16 N ATOM 1459 NH2 ARG A 94 2.165 -13.230 5.968 1.00 1.70 N ATOM 0 H ARG A 94 7.059 -15.233 -0.380 1.00 0.34 H new ATOM 0 HA ARG A 94 5.513 -13.377 0.974 1.00 0.37 H new ATOM 0 HB2 ARG A 94 5.330 -15.828 1.190 1.00 0.57 H new ATOM 0 HB3 ARG A 94 6.933 -15.918 1.893 1.00 0.57 H new ATOM 0 HG2 ARG A 94 5.393 -16.114 3.696 1.00 0.90 H new ATOM 0 HG3 ARG A 94 6.086 -14.509 3.816 1.00 0.90 H new ATOM 0 HD2 ARG A 94 4.118 -13.581 2.608 1.00 0.71 H new ATOM 0 HD3 ARG A 94 3.422 -15.187 2.524 1.00 0.71 H new ATOM 0 HE ARG A 94 3.667 -15.041 5.162 1.00 0.99 H new ATOM 0 HH11 ARG A 94 2.804 -12.475 2.906 1.00 2.16 H new ATOM 0 HH12 ARG A 94 1.801 -11.618 4.081 1.00 2.16 H new ATOM 0 HH21 ARG A 94 2.376 -13.940 6.670 1.00 1.70 H new ATOM 0 HH22 ARG A 94 1.559 -12.444 6.204 1.00 1.70 H new ATOM 1473 N THR A 95 8.611 -13.473 1.993 1.00 0.30 N ATOM 1474 CA THR A 95 9.585 -12.858 2.866 1.00 0.27 C ATOM 1475 C THR A 95 9.833 -11.408 2.472 1.00 0.21 C ATOM 1476 O THR A 95 9.683 -10.508 3.291 1.00 0.18 O ATOM 1477 CB THR A 95 10.908 -13.632 2.835 1.00 0.32 C ATOM 1478 OG1 THR A 95 10.695 -14.984 3.265 1.00 0.40 O ATOM 1479 CG2 THR A 95 11.926 -12.955 3.725 1.00 0.32 C ATOM 0 H THR A 95 9.003 -14.142 1.330 1.00 0.30 H new ATOM 0 HA THR A 95 9.182 -12.883 3.878 1.00 0.27 H new ATOM 0 HB THR A 95 11.288 -13.643 1.814 1.00 0.32 H new ATOM 0 HG1 THR A 95 11.544 -15.473 3.241 1.00 0.40 H new ATOM 0 HG21 THR A 95 12.862 -13.512 3.696 1.00 0.32 H new ATOM 0 HG22 THR A 95 12.098 -11.938 3.373 1.00 0.32 H new ATOM 0 HG23 THR A 95 11.552 -12.926 4.749 1.00 0.32 H new ATOM 1487 N VAL A 96 10.207 -11.199 1.211 1.00 0.23 N ATOM 1488 CA VAL A 96 10.418 -9.861 0.661 1.00 0.21 C ATOM 1489 C VAL A 96 9.302 -8.923 1.053 1.00 0.19 C ATOM 1490 O VAL A 96 9.545 -7.888 1.668 1.00 0.19 O ATOM 1491 CB VAL A 96 10.466 -9.886 -0.880 1.00 0.25 C ATOM 1492 CG1 VAL A 96 10.581 -8.470 -1.430 1.00 0.28 C ATOM 1493 CG2 VAL A 96 11.621 -10.745 -1.367 1.00 0.29 C ATOM 0 H VAL A 96 10.372 -11.951 0.542 1.00 0.23 H new ATOM 0 HA VAL A 96 11.369 -9.515 1.066 1.00 0.21 H new ATOM 0 HB VAL A 96 9.538 -10.325 -1.247 1.00 0.25 H new ATOM 0 HG11 VAL A 96 10.614 -8.504 -2.519 1.00 0.28 H new ATOM 0 HG12 VAL A 96 9.719 -7.885 -1.111 1.00 0.28 H new ATOM 0 HG13 VAL A 96 11.493 -8.007 -1.054 1.00 0.28 H new ATOM 0 HG21 VAL A 96 11.637 -10.749 -2.457 1.00 0.29 H new ATOM 0 HG22 VAL A 96 12.560 -10.338 -0.992 1.00 0.29 H new ATOM 0 HG23 VAL A 96 11.495 -11.764 -1.002 1.00 0.29 H new ATOM 1503 N MET A 97 8.082 -9.292 0.709 1.00 0.19 N ATOM 1504 CA MET A 97 6.955 -8.433 0.971 1.00 0.19 C ATOM 1505 C MET A 97 6.813 -8.186 2.461 1.00 0.17 C ATOM 1506 O MET A 97 6.469 -7.088 2.870 1.00 0.19 O ATOM 1507 CB MET A 97 5.683 -9.017 0.360 1.00 0.21 C ATOM 1508 CG MET A 97 5.169 -10.292 1.008 1.00 0.22 C ATOM 1509 SD MET A 97 3.519 -10.125 1.703 1.00 0.29 S ATOM 1510 CE MET A 97 3.858 -9.309 3.248 1.00 0.17 C ATOM 0 H MET A 97 7.853 -10.174 0.252 1.00 0.19 H new ATOM 0 HA MET A 97 7.126 -7.467 0.497 1.00 0.19 H new ATOM 0 HB2 MET A 97 4.898 -8.263 0.411 1.00 0.21 H new ATOM 0 HB3 MET A 97 5.867 -9.216 -0.696 1.00 0.21 H new ATOM 0 HG2 MET A 97 5.164 -11.091 0.267 1.00 0.22 H new ATOM 0 HG3 MET A 97 5.859 -10.593 1.797 1.00 0.22 H new ATOM 0 HE1 MET A 97 2.948 -9.270 3.846 1.00 0.17 H new ATOM 0 HE2 MET A 97 4.625 -9.861 3.791 1.00 0.17 H new ATOM 0 HE3 MET A 97 4.209 -8.295 3.055 1.00 0.17 H new ATOM 1520 N ASP A 98 7.149 -9.187 3.273 1.00 0.16 N ATOM 1521 CA ASP A 98 7.041 -9.059 4.723 1.00 0.16 C ATOM 1522 C ASP A 98 8.118 -8.121 5.256 1.00 0.15 C ATOM 1523 O ASP A 98 7.988 -7.553 6.338 1.00 0.22 O ATOM 1524 CB ASP A 98 7.159 -10.427 5.390 1.00 0.21 C ATOM 1525 CG ASP A 98 6.895 -10.367 6.880 1.00 0.30 C ATOM 1526 OD1 ASP A 98 5.757 -10.037 7.272 1.00 0.38 O ATOM 1527 OD2 ASP A 98 7.822 -10.660 7.670 1.00 0.39 O ATOM 0 H ASP A 98 7.496 -10.091 2.952 1.00 0.16 H new ATOM 0 HA ASP A 98 6.063 -8.639 4.959 1.00 0.16 H new ATOM 0 HB2 ASP A 98 6.454 -11.116 4.926 1.00 0.21 H new ATOM 0 HB3 ASP A 98 8.158 -10.828 5.216 1.00 0.21 H new ATOM 1532 N ASN A 99 9.162 -7.938 4.466 1.00 0.12 N ATOM 1533 CA ASN A 99 10.275 -7.084 4.850 1.00 0.13 C ATOM 1534 C ASN A 99 9.968 -5.660 4.446 1.00 0.15 C ATOM 1535 O ASN A 99 10.285 -4.699 5.142 1.00 0.24 O ATOM 1536 CB ASN A 99 11.542 -7.566 4.147 1.00 0.22 C ATOM 1537 CG ASN A 99 11.994 -8.921 4.636 1.00 0.71 C ATOM 1538 OD1 ASN A 99 12.462 -9.747 3.720 1.00 1.55 O flip ATOM 1539 ND2 ASN A 99 11.885 -9.241 5.819 1.00 0.50 N flip ATOM 0 H ASN A 99 9.263 -8.372 3.549 1.00 0.12 H new ATOM 0 HA ASN A 99 10.426 -7.127 5.929 1.00 0.13 H new ATOM 0 HB2 ASN A 99 11.363 -7.612 3.073 1.00 0.22 H new ATOM 0 HB3 ASN A 99 12.340 -6.841 4.306 1.00 0.22 H new ATOM 0 HD21 ASN A 99 11.518 -8.572 6.496 1.00 0.50 H new ATOM 0 HD22 ASN A 99 12.161 -10.175 6.122 1.00 0.50 H new ATOM 1546 N ILE A 100 9.344 -5.556 3.301 1.00 0.12 N ATOM 1547 CA ILE A 100 8.918 -4.289 2.743 1.00 0.12 C ATOM 1548 C ILE A 100 7.807 -3.656 3.569 1.00 0.11 C ATOM 1549 O ILE A 100 7.896 -2.486 3.942 1.00 0.13 O ATOM 1550 CB ILE A 100 8.434 -4.523 1.318 1.00 0.11 C ATOM 1551 CG1 ILE A 100 9.593 -5.096 0.514 1.00 0.13 C ATOM 1552 CG2 ILE A 100 7.896 -3.240 0.700 1.00 0.12 C ATOM 1553 CD1 ILE A 100 10.325 -4.070 -0.327 1.00 0.11 C ATOM 0 H ILE A 100 9.112 -6.360 2.717 1.00 0.12 H new ATOM 0 HA ILE A 100 9.764 -3.601 2.752 1.00 0.12 H new ATOM 0 HB ILE A 100 7.605 -5.231 1.316 1.00 0.11 H new ATOM 0 HG12 ILE A 100 10.302 -5.562 1.199 1.00 0.13 H new ATOM 0 HG13 ILE A 100 9.215 -5.883 -0.139 1.00 0.13 H new ATOM 0 HG21 ILE A 100 7.558 -3.440 -0.317 1.00 0.12 H new ATOM 0 HG22 ILE A 100 7.060 -2.873 1.295 1.00 0.12 H new ATOM 0 HG23 ILE A 100 8.684 -2.488 0.679 1.00 0.12 H new ATOM 0 HD11 ILE A 100 11.136 -4.556 -0.869 1.00 0.11 H new ATOM 0 HD12 ILE A 100 9.632 -3.620 -1.038 1.00 0.11 H new ATOM 0 HD13 ILE A 100 10.735 -3.294 0.320 1.00 0.11 H new ATOM 1565 N LYS A 101 6.758 -4.426 3.860 1.00 0.11 N ATOM 1566 CA LYS A 101 5.665 -3.927 4.654 1.00 0.12 C ATOM 1567 C LYS A 101 6.156 -3.464 6.023 1.00 0.11 C ATOM 1568 O LYS A 101 5.721 -2.434 6.529 1.00 0.14 O ATOM 1569 CB LYS A 101 4.607 -4.996 4.840 1.00 0.18 C ATOM 1570 CG LYS A 101 5.189 -6.308 5.251 1.00 0.89 C ATOM 1571 CD LYS A 101 4.242 -7.154 6.085 1.00 0.75 C ATOM 1572 CE LYS A 101 4.513 -6.966 7.566 1.00 0.42 C ATOM 1573 NZ LYS A 101 4.035 -8.122 8.365 1.00 1.11 N ATOM 0 H LYS A 101 6.654 -5.393 3.553 1.00 0.11 H new ATOM 0 HA LYS A 101 5.232 -3.079 4.123 1.00 0.12 H new ATOM 0 HB2 LYS A 101 3.891 -4.667 5.593 1.00 0.18 H new ATOM 0 HB3 LYS A 101 4.055 -5.122 3.909 1.00 0.18 H new ATOM 0 HG2 LYS A 101 5.473 -6.866 4.359 1.00 0.89 H new ATOM 0 HG3 LYS A 101 6.102 -6.130 5.820 1.00 0.89 H new ATOM 0 HD2 LYS A 101 3.211 -6.880 5.862 1.00 0.75 H new ATOM 0 HD3 LYS A 101 4.357 -8.205 5.820 1.00 0.75 H new ATOM 0 HE2 LYS A 101 5.583 -6.831 7.726 1.00 0.42 H new ATOM 0 HE3 LYS A 101 4.022 -6.057 7.913 1.00 0.42 H new ATOM 0 HZ1 LYS A 101 4.176 -7.927 9.377 1.00 1.11 H new ATOM 0 HZ2 LYS A 101 3.023 -8.277 8.180 1.00 1.11 H new ATOM 0 HZ3 LYS A 101 4.570 -8.973 8.099 1.00 1.11 H new ATOM 1587 N MET A 102 7.092 -4.218 6.606 1.00 0.09 N ATOM 1588 CA MET A 102 7.579 -3.923 7.946 1.00 0.09 C ATOM 1589 C MET A 102 8.476 -2.702 7.892 1.00 0.09 C ATOM 1590 O MET A 102 8.652 -1.996 8.878 1.00 0.12 O ATOM 1591 CB MET A 102 8.313 -5.138 8.549 1.00 0.10 C ATOM 1592 CG MET A 102 9.714 -5.389 8.006 1.00 0.16 C ATOM 1593 SD MET A 102 10.997 -4.416 8.822 1.00 0.88 S ATOM 1594 CE MET A 102 10.963 -5.135 10.460 1.00 1.17 C ATOM 0 H MET A 102 7.523 -5.033 6.169 1.00 0.09 H new ATOM 0 HA MET A 102 6.732 -3.709 8.598 1.00 0.09 H new ATOM 0 HB2 MET A 102 8.379 -5.003 9.629 1.00 0.10 H new ATOM 0 HB3 MET A 102 7.709 -6.029 8.376 1.00 0.10 H new ATOM 0 HG2 MET A 102 9.951 -6.448 8.113 1.00 0.16 H new ATOM 0 HG3 MET A 102 9.725 -5.166 6.939 1.00 0.16 H new ATOM 0 HE1 MET A 102 11.925 -4.976 10.947 1.00 1.17 H new ATOM 0 HE2 MET A 102 10.176 -4.663 11.048 1.00 1.17 H new ATOM 0 HE3 MET A 102 10.767 -6.205 10.384 1.00 1.17 H new ATOM 1604 N THR A 103 9.027 -2.456 6.719 1.00 0.08 N ATOM 1605 CA THR A 103 9.790 -1.258 6.469 1.00 0.08 C ATOM 1606 C THR A 103 8.873 -0.045 6.494 1.00 0.08 C ATOM 1607 O THR A 103 9.121 0.927 7.209 1.00 0.09 O ATOM 1608 CB THR A 103 10.490 -1.345 5.099 1.00 0.10 C ATOM 1609 OG1 THR A 103 11.536 -2.323 5.140 1.00 0.15 O ATOM 1610 CG2 THR A 103 11.052 -0.008 4.680 1.00 0.11 C ATOM 0 H THR A 103 8.956 -3.082 5.917 1.00 0.08 H new ATOM 0 HA THR A 103 10.545 -1.158 7.248 1.00 0.08 H new ATOM 0 HB THR A 103 9.744 -1.644 4.362 1.00 0.10 H new ATOM 0 HG1 THR A 103 11.171 -3.202 4.906 1.00 0.15 H new ATOM 0 HG21 THR A 103 11.539 -0.106 3.710 1.00 0.11 H new ATOM 0 HG22 THR A 103 10.244 0.720 4.609 1.00 0.11 H new ATOM 0 HG23 THR A 103 11.780 0.328 5.419 1.00 0.11 H new ATOM 1618 N LEU A 104 7.796 -0.128 5.728 1.00 0.08 N ATOM 1619 CA LEU A 104 6.894 0.993 5.556 1.00 0.09 C ATOM 1620 C LEU A 104 6.064 1.240 6.803 1.00 0.11 C ATOM 1621 O LEU A 104 6.085 2.334 7.344 1.00 0.13 O ATOM 1622 CB LEU A 104 5.959 0.752 4.369 1.00 0.09 C ATOM 1623 CG LEU A 104 6.632 0.465 3.022 1.00 0.09 C ATOM 1624 CD1 LEU A 104 5.703 -0.292 2.105 1.00 0.11 C ATOM 1625 CD2 LEU A 104 7.049 1.744 2.352 1.00 0.11 C ATOM 0 H LEU A 104 7.527 -0.967 5.214 1.00 0.08 H new ATOM 0 HA LEU A 104 7.508 1.874 5.368 1.00 0.09 H new ATOM 0 HB2 LEU A 104 5.307 -0.087 4.612 1.00 0.09 H new ATOM 0 HB3 LEU A 104 5.321 1.628 4.253 1.00 0.09 H new ATOM 0 HG LEU A 104 7.514 -0.144 3.220 1.00 0.09 H new ATOM 0 HD11 LEU A 104 6.204 -0.483 1.156 1.00 0.11 H new ATOM 0 HD12 LEU A 104 5.428 -1.240 2.567 1.00 0.11 H new ATOM 0 HD13 LEU A 104 4.805 0.299 1.928 1.00 0.11 H new ATOM 0 HD21 LEU A 104 7.524 1.517 1.398 1.00 0.11 H new ATOM 0 HD22 LEU A 104 6.172 2.368 2.181 1.00 0.11 H new ATOM 0 HD23 LEU A 104 7.754 2.276 2.991 1.00 0.11 H new ATOM 1637 N GLN A 105 5.325 0.225 7.242 1.00 0.12 N ATOM 1638 CA GLN A 105 4.437 0.350 8.410 1.00 0.18 C ATOM 1639 C GLN A 105 5.153 0.914 9.635 1.00 0.18 C ATOM 1640 O GLN A 105 4.522 1.544 10.480 1.00 0.22 O ATOM 1641 CB GLN A 105 3.795 -0.994 8.770 1.00 0.28 C ATOM 1642 CG GLN A 105 2.964 -1.571 7.644 1.00 0.39 C ATOM 1643 CD GLN A 105 2.363 -2.931 7.935 1.00 0.64 C ATOM 1644 OE1 GLN A 105 1.264 -3.230 7.264 1.00 1.45 O flip ATOM 1645 NE2 GLN A 105 2.892 -3.714 8.721 1.00 0.99 N flip ATOM 0 H GLN A 105 5.319 -0.699 6.810 1.00 0.12 H new ATOM 0 HA GLN A 105 3.659 1.056 8.119 1.00 0.18 H new ATOM 0 HB2 GLN A 105 4.577 -1.704 9.038 1.00 0.28 H new ATOM 0 HB3 GLN A 105 3.165 -0.866 9.650 1.00 0.28 H new ATOM 0 HG2 GLN A 105 2.158 -0.875 7.411 1.00 0.39 H new ATOM 0 HG3 GLN A 105 3.587 -1.647 6.753 1.00 0.39 H new ATOM 0 HE21 GLN A 105 3.740 -3.442 9.218 1.00 0.99 H new ATOM 0 HE22 GLN A 105 2.483 -4.635 8.876 1.00 0.99 H new ATOM 1654 N GLN A 106 6.465 0.718 9.725 1.00 0.17 N ATOM 1655 CA GLN A 106 7.226 1.270 10.824 1.00 0.20 C ATOM 1656 C GLN A 106 7.327 2.774 10.656 1.00 0.20 C ATOM 1657 O GLN A 106 7.152 3.538 11.602 1.00 0.36 O ATOM 1658 CB GLN A 106 8.605 0.650 10.872 1.00 0.25 C ATOM 1659 CG GLN A 106 8.653 -0.701 11.562 1.00 0.30 C ATOM 1660 CD GLN A 106 10.072 -1.168 11.809 1.00 0.38 C ATOM 1661 OE1 GLN A 106 10.654 -0.895 12.857 1.00 0.65 O ATOM 1662 NE2 GLN A 106 10.638 -1.873 10.847 1.00 0.47 N ATOM 0 H GLN A 106 7.014 0.184 9.051 1.00 0.17 H new ATOM 0 HA GLN A 106 6.720 1.046 11.763 1.00 0.20 H new ATOM 0 HB2 GLN A 106 8.978 0.539 9.854 1.00 0.25 H new ATOM 0 HB3 GLN A 106 9.281 1.333 11.386 1.00 0.25 H new ATOM 0 HG2 GLN A 106 8.122 -0.641 12.512 1.00 0.30 H new ATOM 0 HG3 GLN A 106 8.131 -1.438 10.951 1.00 0.30 H new ATOM 0 HE21 GLN A 106 10.120 -2.078 9.992 1.00 0.47 H new ATOM 0 HE22 GLN A 106 11.593 -2.213 10.958 1.00 0.47 H new ATOM 1671 N ILE A 107 7.581 3.173 9.421 1.00 0.13 N ATOM 1672 CA ILE A 107 7.597 4.570 9.029 1.00 0.13 C ATOM 1673 C ILE A 107 6.228 5.194 9.257 1.00 0.14 C ATOM 1674 O ILE A 107 6.109 6.301 9.771 1.00 0.17 O ATOM 1675 CB ILE A 107 7.939 4.696 7.531 1.00 0.13 C ATOM 1676 CG1 ILE A 107 9.317 4.098 7.233 1.00 0.13 C ATOM 1677 CG2 ILE A 107 7.862 6.146 7.095 1.00 0.16 C ATOM 1678 CD1 ILE A 107 9.572 3.832 5.765 1.00 0.14 C ATOM 0 H ILE A 107 7.784 2.529 8.656 1.00 0.13 H new ATOM 0 HA ILE A 107 8.348 5.083 9.630 1.00 0.13 H new ATOM 0 HB ILE A 107 7.205 4.129 6.958 1.00 0.13 H new ATOM 0 HG12 ILE A 107 10.084 4.776 7.607 1.00 0.13 H new ATOM 0 HG13 ILE A 107 9.422 3.163 7.784 1.00 0.13 H new ATOM 0 HG21 ILE A 107 8.106 6.221 6.035 1.00 0.16 H new ATOM 0 HG22 ILE A 107 6.853 6.523 7.263 1.00 0.16 H new ATOM 0 HG23 ILE A 107 8.572 6.738 7.673 1.00 0.16 H new ATOM 0 HD11 ILE A 107 10.569 3.409 5.640 1.00 0.14 H new ATOM 0 HD12 ILE A 107 8.830 3.128 5.388 1.00 0.14 H new ATOM 0 HD13 ILE A 107 9.501 4.766 5.208 1.00 0.14 H new ATOM 1690 N ILE A 108 5.197 4.470 8.861 1.00 0.13 N ATOM 1691 CA ILE A 108 3.830 4.949 9.001 1.00 0.17 C ATOM 1692 C ILE A 108 3.487 5.114 10.475 1.00 0.23 C ATOM 1693 O ILE A 108 2.999 6.161 10.893 1.00 0.29 O ATOM 1694 CB ILE A 108 2.854 3.972 8.310 1.00 0.19 C ATOM 1695 CG1 ILE A 108 3.470 3.539 6.974 1.00 0.18 C ATOM 1696 CG2 ILE A 108 1.479 4.600 8.123 1.00 0.26 C ATOM 1697 CD1 ILE A 108 2.488 3.184 5.886 1.00 0.15 C ATOM 0 H ILE A 108 5.279 3.545 8.438 1.00 0.13 H new ATOM 0 HA ILE A 108 3.737 5.921 8.517 1.00 0.17 H new ATOM 0 HB ILE A 108 2.703 3.094 8.939 1.00 0.19 H new ATOM 0 HG12 ILE A 108 4.110 4.344 6.612 1.00 0.18 H new ATOM 0 HG13 ILE A 108 4.113 2.677 7.154 1.00 0.18 H new ATOM 0 HG21 ILE A 108 0.816 3.886 7.634 1.00 0.26 H new ATOM 0 HG22 ILE A 108 1.067 4.870 9.095 1.00 0.26 H new ATOM 0 HG23 ILE A 108 1.568 5.494 7.506 1.00 0.26 H new ATOM 0 HD11 ILE A 108 3.031 2.893 4.987 1.00 0.15 H new ATOM 0 HD12 ILE A 108 1.863 2.355 6.217 1.00 0.15 H new ATOM 0 HD13 ILE A 108 1.860 4.047 5.667 1.00 0.15 H new ATOM 1709 N SER A 109 3.802 4.093 11.261 1.00 0.28 N ATOM 1710 CA SER A 109 3.628 4.126 12.711 1.00 0.37 C ATOM 1711 C SER A 109 4.434 5.278 13.307 1.00 0.37 C ATOM 1712 O SER A 109 4.042 5.886 14.302 1.00 0.43 O ATOM 1713 CB SER A 109 4.075 2.790 13.317 1.00 0.45 C ATOM 1714 OG SER A 109 3.906 2.770 14.724 1.00 1.22 O ATOM 0 H SER A 109 4.187 3.215 10.912 1.00 0.28 H new ATOM 0 HA SER A 109 2.575 4.282 12.944 1.00 0.37 H new ATOM 0 HB2 SER A 109 3.502 1.978 12.870 1.00 0.45 H new ATOM 0 HB3 SER A 109 5.123 2.612 13.074 1.00 0.45 H new ATOM 0 HG SER A 109 4.199 1.904 15.076 1.00 1.22 H new ATOM 1720 N ARG A 110 5.541 5.589 12.650 1.00 0.33 N ATOM 1721 CA ARG A 110 6.407 6.674 13.047 1.00 0.35 C ATOM 1722 C ARG A 110 5.692 8.005 12.845 1.00 0.38 C ATOM 1723 O ARG A 110 5.814 8.925 13.656 1.00 0.48 O ATOM 1724 CB ARG A 110 7.692 6.622 12.214 1.00 0.34 C ATOM 1725 CG ARG A 110 8.239 7.970 11.866 1.00 1.27 C ATOM 1726 CD ARG A 110 9.558 7.849 11.143 1.00 1.25 C ATOM 1727 NE ARG A 110 10.172 9.159 10.924 1.00 2.39 N ATOM 1728 CZ ARG A 110 11.372 9.347 10.377 1.00 2.70 C ATOM 1729 NH1 ARG A 110 12.102 8.312 9.985 1.00 1.97 N ATOM 1730 NH2 ARG A 110 11.849 10.578 10.231 1.00 3.79 N ATOM 0 H ARG A 110 5.861 5.088 11.821 1.00 0.33 H new ATOM 0 HA ARG A 110 6.662 6.577 14.102 1.00 0.35 H new ATOM 0 HB2 ARG A 110 8.449 6.064 12.765 1.00 0.34 H new ATOM 0 HB3 ARG A 110 7.496 6.071 11.294 1.00 0.34 H new ATOM 0 HG2 ARG A 110 7.525 8.505 11.240 1.00 1.27 H new ATOM 0 HG3 ARG A 110 8.371 8.558 12.774 1.00 1.27 H new ATOM 0 HD2 ARG A 110 10.235 7.221 11.722 1.00 1.25 H new ATOM 0 HD3 ARG A 110 9.405 7.353 10.185 1.00 1.25 H new ATOM 0 HE ARG A 110 9.645 9.984 11.210 1.00 2.39 H new ATOM 0 HH11 ARG A 110 11.746 7.363 10.101 1.00 1.97 H new ATOM 0 HH12 ARG A 110 13.020 8.464 9.567 1.00 1.97 H new ATOM 0 HH21 ARG A 110 11.297 11.379 10.538 1.00 3.79 H new ATOM 0 HH22 ARG A 110 12.768 10.723 9.812 1.00 3.79 H new ATOM 1744 N TYR A 111 4.917 8.087 11.774 1.00 0.34 N ATOM 1745 CA TYR A 111 4.261 9.322 11.410 1.00 0.41 C ATOM 1746 C TYR A 111 2.905 9.450 12.081 1.00 0.49 C ATOM 1747 O TYR A 111 2.366 10.546 12.202 1.00 0.60 O ATOM 1748 CB TYR A 111 4.158 9.444 9.897 1.00 0.37 C ATOM 1749 CG TYR A 111 5.447 9.951 9.305 1.00 0.38 C ATOM 1750 CD1 TYR A 111 5.817 11.283 9.422 1.00 0.48 C ATOM 1751 CD2 TYR A 111 6.311 9.085 8.675 1.00 0.34 C ATOM 1752 CE1 TYR A 111 7.019 11.733 8.914 1.00 0.53 C ATOM 1753 CE2 TYR A 111 7.522 9.519 8.172 1.00 0.40 C ATOM 1754 CZ TYR A 111 7.871 10.845 8.292 1.00 0.48 C ATOM 1755 OH TYR A 111 9.081 11.284 7.802 1.00 0.55 O ATOM 0 H TYR A 111 4.730 7.307 11.144 1.00 0.34 H new ATOM 0 HA TYR A 111 4.870 10.151 11.771 1.00 0.41 H new ATOM 0 HB2 TYR A 111 3.914 8.473 9.467 1.00 0.37 H new ATOM 0 HB3 TYR A 111 3.344 10.121 9.638 1.00 0.37 H new ATOM 0 HD1 TYR A 111 5.155 11.978 9.918 1.00 0.48 H new ATOM 0 HD2 TYR A 111 6.037 8.045 8.572 1.00 0.34 H new ATOM 0 HE1 TYR A 111 7.291 12.774 9.003 1.00 0.53 H new ATOM 0 HE2 TYR A 111 8.191 8.823 7.688 1.00 0.40 H new ATOM 0 HH TYR A 111 9.561 10.533 7.395 1.00 0.55 H new ATOM 1765 N LYS A 112 2.363 8.330 12.532 1.00 0.51 N ATOM 1766 CA LYS A 112 1.145 8.347 13.335 1.00 0.63 C ATOM 1767 C LYS A 112 1.488 8.727 14.765 1.00 0.67 C ATOM 1768 O LYS A 112 0.654 9.237 15.510 1.00 0.77 O ATOM 1769 CB LYS A 112 0.454 6.985 13.289 1.00 0.72 C ATOM 1770 CG LYS A 112 -0.028 6.606 11.905 1.00 0.76 C ATOM 1771 CD LYS A 112 0.322 5.166 11.594 1.00 0.65 C ATOM 1772 CE LYS A 112 -0.382 4.193 12.515 1.00 1.28 C ATOM 1773 NZ LYS A 112 -1.859 4.260 12.378 1.00 1.76 N ATOM 0 H LYS A 112 2.743 7.400 12.358 1.00 0.51 H new ATOM 0 HA LYS A 112 0.456 9.086 12.926 1.00 0.63 H new ATOM 0 HB2 LYS A 112 1.145 6.222 13.647 1.00 0.72 H new ATOM 0 HB3 LYS A 112 -0.395 6.992 13.973 1.00 0.72 H new ATOM 0 HG2 LYS A 112 -1.107 6.746 11.839 1.00 0.76 H new ATOM 0 HG3 LYS A 112 0.425 7.264 11.163 1.00 0.76 H new ATOM 0 HD2 LYS A 112 0.054 4.944 10.561 1.00 0.65 H new ATOM 0 HD3 LYS A 112 1.400 5.029 11.680 1.00 0.65 H new ATOM 0 HE2 LYS A 112 -0.044 3.180 12.297 1.00 1.28 H new ATOM 0 HE3 LYS A 112 -0.104 4.407 13.547 1.00 1.28 H new ATOM 0 HZ1 LYS A 112 -2.290 3.450 12.867 1.00 1.76 H new ATOM 0 HZ2 LYS A 112 -2.207 5.144 12.800 1.00 1.76 H new ATOM 0 HZ3 LYS A 112 -2.116 4.233 11.371 1.00 1.76 H new ATOM 1787 N ASP A 113 2.739 8.486 15.129 1.00 0.64 N ATOM 1788 CA ASP A 113 3.266 8.885 16.428 1.00 0.72 C ATOM 1789 C ASP A 113 3.479 10.398 16.466 1.00 0.72 C ATOM 1790 O ASP A 113 3.646 10.996 17.531 1.00 0.80 O ATOM 1791 CB ASP A 113 4.581 8.142 16.695 1.00 0.78 C ATOM 1792 CG ASP A 113 5.278 8.585 17.963 1.00 1.16 C ATOM 1793 OD1 ASP A 113 4.799 8.246 19.063 1.00 1.18 O ATOM 1794 OD2 ASP A 113 6.327 9.257 17.866 1.00 1.56 O ATOM 0 H ASP A 113 3.417 8.009 14.534 1.00 0.64 H new ATOM 0 HA ASP A 113 2.551 8.624 17.208 1.00 0.72 H new ATOM 0 HB2 ASP A 113 4.379 7.073 16.756 1.00 0.78 H new ATOM 0 HB3 ASP A 113 5.252 8.292 15.849 1.00 0.78 H new ATOM 1799 N ALA A 114 3.450 11.014 15.290 1.00 0.68 N ATOM 1800 CA ALA A 114 3.645 12.452 15.168 1.00 0.76 C ATOM 1801 C ALA A 114 2.570 13.079 14.281 1.00 0.86 C ATOM 1802 O ALA A 114 2.812 14.077 13.603 1.00 1.09 O ATOM 1803 CB ALA A 114 5.031 12.742 14.612 1.00 0.82 C ATOM 0 H ALA A 114 3.292 10.536 14.403 1.00 0.68 H new ATOM 0 HA ALA A 114 3.560 12.897 16.160 1.00 0.76 H new ATOM 0 HB1 ALA A 114 5.169 13.820 14.524 1.00 0.82 H new ATOM 0 HB2 ALA A 114 5.785 12.333 15.284 1.00 0.82 H new ATOM 0 HB3 ALA A 114 5.133 12.281 13.629 1.00 0.82 H new ATOM 1809 N ASP A 115 1.383 12.490 14.288 1.00 0.85 N ATOM 1810 CA ASP A 115 0.286 12.972 13.456 1.00 1.01 C ATOM 1811 C ASP A 115 -0.605 13.928 14.236 1.00 1.32 C ATOM 1812 O ASP A 115 -0.764 15.091 13.804 1.00 2.16 O ATOM 1813 CB ASP A 115 -0.540 11.800 12.926 1.00 1.00 C ATOM 1814 CG ASP A 115 -1.695 12.250 12.057 1.00 1.24 C ATOM 1815 OD1 ASP A 115 -1.454 12.667 10.904 1.00 1.51 O ATOM 1816 OD2 ASP A 115 -2.855 12.160 12.510 1.00 1.39 O ATOM 1817 OXT ASP A 115 -1.119 13.522 15.299 1.00 1.44 O ATOM 0 H ASP A 115 1.153 11.677 14.860 1.00 0.85 H new ATOM 0 HA ASP A 115 0.715 13.510 12.611 1.00 1.01 H new ATOM 0 HB2 ASP A 115 0.105 11.136 12.351 1.00 1.00 H new ATOM 0 HB3 ASP A 115 -0.925 11.222 13.766 1.00 1.00 H new TER 1822 ASP A 115 ATOM 1823 N GLY B 242 -3.857 -25.429 -19.308 1.00 25.39 N ATOM 1824 CA GLY B 242 -5.035 -24.573 -19.587 1.00 25.32 C ATOM 1825 C GLY B 242 -5.863 -24.309 -18.346 1.00 24.90 C ATOM 1826 O GLY B 242 -6.789 -25.057 -18.038 1.00 24.93 O ATOM 0 HA2 GLY B 242 -4.700 -23.624 -20.006 1.00 25.32 H new ATOM 0 HA3 GLY B 242 -5.659 -25.052 -20.342 1.00 25.32 H new ATOM 1832 N GLY B 243 -5.527 -23.247 -17.628 1.00 24.60 N ATOM 1833 CA GLY B 243 -6.260 -22.901 -16.429 1.00 24.30 C ATOM 1834 C GLY B 243 -6.813 -21.492 -16.479 1.00 23.95 C ATOM 1835 O GLY B 243 -7.747 -21.158 -15.747 1.00 23.75 O ATOM 0 H GLY B 243 -4.757 -22.618 -17.856 1.00 24.60 H new ATOM 0 HA2 GLY B 243 -7.080 -23.606 -16.291 1.00 24.30 H new ATOM 0 HA3 GLY B 243 -5.605 -23.001 -15.564 1.00 24.30 H new ATOM 1839 N GLY B 244 -6.240 -20.669 -17.343 1.00 23.97 N ATOM 1840 CA GLY B 244 -6.683 -19.297 -17.474 1.00 23.78 C ATOM 1841 C GLY B 244 -6.016 -18.605 -18.640 1.00 23.46 C ATOM 1842 O GLY B 244 -5.795 -19.220 -19.683 1.00 23.62 O ATOM 0 H GLY B 244 -5.471 -20.929 -17.960 1.00 23.97 H new ATOM 0 HA2 GLY B 244 -7.765 -19.275 -17.607 1.00 23.78 H new ATOM 0 HA3 GLY B 244 -6.464 -18.754 -16.555 1.00 23.78 H new ATOM 1846 N GLY B 245 -5.702 -17.329 -18.473 1.00 23.13 N ATOM 1847 CA GLY B 245 -5.026 -16.582 -19.518 1.00 22.92 C ATOM 1848 C GLY B 245 -5.983 -16.026 -20.551 1.00 22.70 C ATOM 1849 O GLY B 245 -5.924 -14.845 -20.891 1.00 22.72 O ATOM 0 H GLY B 245 -5.904 -16.794 -17.629 1.00 23.13 H new ATOM 0 HA2 GLY B 245 -4.466 -15.762 -19.069 1.00 22.92 H new ATOM 0 HA3 GLY B 245 -4.301 -17.230 -20.011 1.00 22.92 H new ATOM 1853 N TYR B 246 -6.876 -16.876 -21.041 1.00 22.59 N ATOM 1854 CA TYR B 246 -7.842 -16.481 -22.059 1.00 22.48 C ATOM 1855 C TYR B 246 -8.938 -15.607 -21.460 1.00 22.02 C ATOM 1856 O TYR B 246 -9.661 -14.914 -22.178 1.00 22.35 O ATOM 1857 CB TYR B 246 -8.460 -17.721 -22.719 1.00 23.22 C ATOM 1858 CG TYR B 246 -9.305 -18.557 -21.778 1.00 23.55 C ATOM 1859 CD1 TYR B 246 -8.721 -19.477 -20.917 1.00 23.87 C ATOM 1860 CD2 TYR B 246 -10.687 -18.422 -21.750 1.00 23.67 C ATOM 1861 CE1 TYR B 246 -9.487 -20.235 -20.055 1.00 24.29 C ATOM 1862 CE2 TYR B 246 -11.460 -19.177 -20.891 1.00 24.09 C ATOM 1863 CZ TYR B 246 -10.856 -20.080 -20.046 1.00 24.40 C ATOM 1864 OH TYR B 246 -11.623 -20.831 -19.183 1.00 24.92 O ATOM 0 H TYR B 246 -6.952 -17.850 -20.748 1.00 22.59 H new ATOM 0 HA TYR B 246 -7.316 -15.901 -22.817 1.00 22.48 H new ATOM 0 HB2 TYR B 246 -9.075 -17.404 -23.561 1.00 23.22 H new ATOM 0 HB3 TYR B 246 -7.661 -18.342 -23.124 1.00 23.22 H new ATOM 0 HD1 TYR B 246 -7.648 -19.601 -20.922 1.00 23.87 H new ATOM 0 HD2 TYR B 246 -11.165 -17.714 -22.411 1.00 23.67 H new ATOM 0 HE1 TYR B 246 -9.016 -20.945 -19.392 1.00 24.29 H new ATOM 0 HE2 TYR B 246 -12.534 -19.060 -20.882 1.00 24.09 H new ATOM 0 HH TYR B 246 -12.568 -20.601 -19.301 1.00 24.92 H new ATOM 1874 N ASP B 247 -9.048 -15.647 -20.140 1.00 21.35 N ATOM 1875 CA ASP B 247 -10.083 -14.907 -19.431 1.00 20.95 C ATOM 1876 C ASP B 247 -9.776 -13.422 -19.442 1.00 20.12 C ATOM 1877 O ASP B 247 -8.625 -13.016 -19.253 1.00 19.68 O ATOM 1878 CB ASP B 247 -10.197 -15.381 -17.978 1.00 20.82 C ATOM 1879 CG ASP B 247 -10.616 -16.831 -17.850 1.00 21.19 C ATOM 1880 OD1 ASP B 247 -11.833 -17.113 -17.914 1.00 21.36 O ATOM 1881 OD2 ASP B 247 -9.729 -17.691 -17.669 1.00 21.40 O ATOM 0 H ASP B 247 -8.430 -16.187 -19.535 1.00 21.35 H new ATOM 0 HA ASP B 247 -11.028 -15.089 -19.943 1.00 20.95 H new ATOM 0 HB2 ASP B 247 -9.236 -15.243 -17.482 1.00 20.82 H new ATOM 0 HB3 ASP B 247 -10.919 -14.754 -17.455 1.00 20.82 H new ATOM 1886 N VAL B 248 -10.802 -12.614 -19.659 1.00 20.03 N ATOM 1887 CA VAL B 248 -10.665 -11.167 -19.581 1.00 19.37 C ATOM 1888 C VAL B 248 -10.765 -10.739 -18.115 1.00 18.15 C ATOM 1889 O VAL B 248 -11.618 -9.935 -17.728 1.00 17.73 O ATOM 1890 CB VAL B 248 -11.742 -10.448 -20.431 1.00 19.95 C ATOM 1891 CG1 VAL B 248 -11.443 -8.961 -20.551 1.00 20.02 C ATOM 1892 CG2 VAL B 248 -11.848 -11.084 -21.810 1.00 20.37 C ATOM 0 H VAL B 248 -11.741 -12.936 -19.891 1.00 20.03 H new ATOM 0 HA VAL B 248 -9.693 -10.883 -19.985 1.00 19.37 H new ATOM 0 HB VAL B 248 -12.700 -10.559 -19.923 1.00 19.95 H new ATOM 0 HG11 VAL B 248 -12.215 -8.482 -21.153 1.00 20.02 H new ATOM 0 HG12 VAL B 248 -11.426 -8.512 -19.558 1.00 20.02 H new ATOM 0 HG13 VAL B 248 -10.473 -8.822 -21.028 1.00 20.02 H new ATOM 0 HG21 VAL B 248 -12.610 -10.565 -22.392 1.00 20.37 H new ATOM 0 HG22 VAL B 248 -10.888 -11.009 -22.320 1.00 20.37 H new ATOM 0 HG23 VAL B 248 -12.123 -12.134 -21.706 1.00 20.37 H new ATOM 1902 N GLU B 249 -9.895 -11.313 -17.303 1.00 17.68 N ATOM 1903 CA GLU B 249 -9.903 -11.087 -15.870 1.00 16.58 C ATOM 1904 C GLU B 249 -8.670 -10.296 -15.457 1.00 15.78 C ATOM 1905 O GLU B 249 -7.542 -10.780 -15.581 1.00 15.94 O ATOM 1906 CB GLU B 249 -9.942 -12.436 -15.145 1.00 16.66 C ATOM 1907 CG GLU B 249 -10.084 -12.323 -13.639 1.00 15.82 C ATOM 1908 CD GLU B 249 -10.138 -13.674 -12.958 1.00 16.11 C ATOM 1909 OE1 GLU B 249 -11.206 -14.321 -12.997 1.00 16.39 O ATOM 1910 OE2 GLU B 249 -9.121 -14.090 -12.372 1.00 16.16 O ATOM 0 H GLU B 249 -9.163 -11.949 -17.619 1.00 17.68 H new ATOM 0 HA GLU B 249 -10.786 -10.509 -15.598 1.00 16.58 H new ATOM 0 HB2 GLU B 249 -10.774 -13.023 -15.535 1.00 16.66 H new ATOM 0 HB3 GLU B 249 -9.029 -12.986 -15.373 1.00 16.66 H new ATOM 0 HG2 GLU B 249 -9.245 -11.752 -13.240 1.00 15.82 H new ATOM 0 HG3 GLU B 249 -10.990 -11.765 -13.404 1.00 15.82 H new ATOM 1917 N MET B 250 -8.879 -9.077 -14.981 1.00 15.05 N ATOM 1918 CA MET B 250 -7.769 -8.226 -14.575 1.00 14.34 C ATOM 1919 C MET B 250 -8.133 -7.365 -13.370 1.00 13.28 C ATOM 1920 O MET B 250 -7.435 -6.407 -13.054 1.00 12.74 O ATOM 1921 CB MET B 250 -7.321 -7.332 -15.740 1.00 14.93 C ATOM 1922 CG MET B 250 -8.382 -6.348 -16.208 1.00 15.52 C ATOM 1923 SD MET B 250 -7.822 -5.327 -17.585 1.00 16.05 S ATOM 1924 CE MET B 250 -9.273 -4.312 -17.854 1.00 16.80 C ATOM 0 H MET B 250 -9.801 -8.656 -14.867 1.00 15.05 H new ATOM 0 HA MET B 250 -6.945 -8.879 -14.288 1.00 14.34 H new ATOM 0 HB2 MET B 250 -6.433 -6.777 -15.438 1.00 14.93 H new ATOM 0 HB3 MET B 250 -7.031 -7.964 -16.579 1.00 14.93 H new ATOM 0 HG2 MET B 250 -9.275 -6.897 -16.507 1.00 15.52 H new ATOM 0 HG3 MET B 250 -8.668 -5.704 -15.376 1.00 15.52 H new ATOM 0 HE1 MET B 250 -9.087 -3.623 -18.678 1.00 16.80 H new ATOM 0 HE2 MET B 250 -10.123 -4.949 -18.098 1.00 16.80 H new ATOM 0 HE3 MET B 250 -9.493 -3.745 -16.949 1.00 16.80 H new ATOM 1934 N GLU B 251 -9.222 -7.702 -12.696 1.00 13.13 N ATOM 1935 CA GLU B 251 -9.634 -6.948 -11.519 1.00 12.32 C ATOM 1936 C GLU B 251 -8.950 -7.525 -10.284 1.00 11.39 C ATOM 1937 O GLU B 251 -8.658 -8.719 -10.219 1.00 11.50 O ATOM 1938 CB GLU B 251 -11.155 -6.986 -11.363 1.00 12.74 C ATOM 1939 CG GLU B 251 -11.779 -5.637 -11.026 1.00 12.69 C ATOM 1940 CD GLU B 251 -11.414 -5.132 -9.643 1.00 13.07 C ATOM 1941 OE1 GLU B 251 -10.321 -4.546 -9.486 1.00 13.21 O ATOM 1942 OE2 GLU B 251 -12.212 -5.325 -8.702 1.00 13.35 O ATOM 0 H GLU B 251 -9.831 -8.483 -12.939 1.00 13.13 H new ATOM 0 HA GLU B 251 -9.336 -5.906 -11.637 1.00 12.32 H new ATOM 0 HB2 GLU B 251 -11.595 -7.357 -12.288 1.00 12.74 H new ATOM 0 HB3 GLU B 251 -11.412 -7.699 -10.580 1.00 12.74 H new ATOM 0 HG2 GLU B 251 -11.463 -4.903 -11.768 1.00 12.69 H new ATOM 0 HG3 GLU B 251 -12.863 -5.718 -11.100 1.00 12.69 H new ATOM 1949 N SER B 252 -8.692 -6.669 -9.311 1.00 10.65 N ATOM 1950 CA SER B 252 -7.963 -7.064 -8.116 1.00 9.85 C ATOM 1951 C SER B 252 -8.862 -7.853 -7.170 1.00 8.78 C ATOM 1952 O SER B 252 -8.382 -8.481 -6.230 1.00 7.90 O ATOM 1953 CB SER B 252 -7.408 -5.823 -7.414 1.00 10.04 C ATOM 1954 OG SER B 252 -6.647 -5.029 -8.314 1.00 10.66 O ATOM 0 H SER B 252 -8.978 -5.690 -9.325 1.00 10.65 H new ATOM 0 HA SER B 252 -7.134 -7.708 -8.409 1.00 9.85 H new ATOM 0 HB2 SER B 252 -8.229 -5.233 -7.007 1.00 10.04 H new ATOM 0 HB3 SER B 252 -6.784 -6.125 -6.572 1.00 10.04 H new ATOM 0 HG SER B 252 -6.304 -4.240 -7.844 1.00 10.66 H new ATOM 1960 N GLU B 253 -10.166 -7.829 -7.440 1.00 9.06 N ATOM 1961 CA GLU B 253 -11.144 -8.522 -6.611 1.00 8.41 C ATOM 1962 C GLU B 253 -10.927 -10.034 -6.646 1.00 7.74 C ATOM 1963 O GLU B 253 -11.176 -10.730 -5.661 1.00 6.93 O ATOM 1964 CB GLU B 253 -12.558 -8.188 -7.088 1.00 9.32 C ATOM 1965 CG GLU B 253 -13.646 -8.754 -6.197 1.00 9.85 C ATOM 1966 CD GLU B 253 -15.035 -8.372 -6.655 1.00 10.54 C ATOM 1967 OE1 GLU B 253 -15.596 -9.077 -7.521 1.00 11.03 O ATOM 1968 OE2 GLU B 253 -15.578 -7.371 -6.140 1.00 10.75 O ATOM 0 H GLU B 253 -10.570 -7.332 -8.234 1.00 9.06 H new ATOM 0 HA GLU B 253 -11.017 -8.185 -5.582 1.00 8.41 H new ATOM 0 HB2 GLU B 253 -12.669 -7.105 -7.140 1.00 9.32 H new ATOM 0 HB3 GLU B 253 -12.692 -8.571 -8.100 1.00 9.32 H new ATOM 0 HG2 GLU B 253 -13.562 -9.841 -6.174 1.00 9.85 H new ATOM 0 HG3 GLU B 253 -13.495 -8.401 -5.177 1.00 9.85 H new ATOM 1975 N GLU B 254 -10.465 -10.536 -7.782 1.00 8.32 N ATOM 1976 CA GLU B 254 -10.225 -11.964 -7.937 1.00 8.15 C ATOM 1977 C GLU B 254 -8.958 -12.378 -7.197 1.00 7.31 C ATOM 1978 O GLU B 254 -8.813 -13.528 -6.780 1.00 6.99 O ATOM 1979 CB GLU B 254 -10.115 -12.347 -9.414 1.00 9.33 C ATOM 1980 CG GLU B 254 -11.391 -12.127 -10.212 1.00 10.25 C ATOM 1981 CD GLU B 254 -11.644 -10.673 -10.545 1.00 10.57 C ATOM 1982 OE1 GLU B 254 -11.012 -10.152 -11.488 1.00 10.94 O ATOM 1983 OE2 GLU B 254 -12.472 -10.041 -9.861 1.00 10.61 O ATOM 0 H GLU B 254 -10.249 -9.978 -8.608 1.00 8.32 H new ATOM 0 HA GLU B 254 -11.076 -12.492 -7.506 1.00 8.15 H new ATOM 0 HB2 GLU B 254 -9.311 -11.768 -9.869 1.00 9.33 H new ATOM 0 HB3 GLU B 254 -9.832 -13.397 -9.485 1.00 9.33 H new ATOM 0 HG2 GLU B 254 -11.336 -12.700 -11.137 1.00 10.25 H new ATOM 0 HG3 GLU B 254 -12.237 -12.516 -9.646 1.00 10.25 H new ATOM 1990 N GLU B 255 -8.046 -11.432 -7.039 1.00 7.27 N ATOM 1991 CA GLU B 255 -6.803 -11.677 -6.325 1.00 6.83 C ATOM 1992 C GLU B 255 -7.043 -11.553 -4.827 1.00 5.68 C ATOM 1993 O GLU B 255 -6.548 -12.350 -4.029 1.00 5.42 O ATOM 1994 CB GLU B 255 -5.735 -10.681 -6.774 1.00 7.52 C ATOM 1995 CG GLU B 255 -5.559 -10.625 -8.282 1.00 8.71 C ATOM 1996 CD GLU B 255 -4.516 -9.617 -8.709 1.00 9.38 C ATOM 1997 OE1 GLU B 255 -4.806 -8.404 -8.666 1.00 9.82 O ATOM 1998 OE2 GLU B 255 -3.402 -10.029 -9.089 1.00 9.65 O ATOM 0 H GLU B 255 -8.144 -10.482 -7.398 1.00 7.27 H new ATOM 0 HA GLU B 255 -6.453 -12.685 -6.548 1.00 6.83 H new ATOM 0 HB2 GLU B 255 -5.998 -9.688 -6.409 1.00 7.52 H new ATOM 0 HB3 GLU B 255 -4.783 -10.948 -6.314 1.00 7.52 H new ATOM 0 HG2 GLU B 255 -5.276 -11.612 -8.648 1.00 8.71 H new ATOM 0 HG3 GLU B 255 -6.513 -10.374 -8.746 1.00 8.71 H new ATOM 2005 N SER B 256 -7.807 -10.537 -4.460 1.00 5.35 N ATOM 2006 CA SER B 256 -8.210 -10.317 -3.085 1.00 4.55 C ATOM 2007 C SER B 256 -9.565 -9.614 -3.066 1.00 4.09 C ATOM 2008 O SER B 256 -9.716 -8.536 -3.643 1.00 4.17 O ATOM 2009 CB SER B 256 -7.149 -9.498 -2.354 1.00 4.73 C ATOM 2010 OG SER B 256 -5.925 -10.217 -2.274 1.00 5.13 O ATOM 0 H SER B 256 -8.166 -9.840 -5.112 1.00 5.35 H new ATOM 0 HA SER B 256 -8.306 -11.272 -2.568 1.00 4.55 H new ATOM 0 HB2 SER B 256 -6.988 -8.554 -2.875 1.00 4.73 H new ATOM 0 HB3 SER B 256 -7.499 -9.253 -1.351 1.00 4.73 H new ATOM 0 HG SER B 256 -6.024 -11.082 -2.724 1.00 5.13 H new ATOM 2016 N ASP B 257 -10.540 -10.243 -2.414 1.00 4.14 N ATOM 2017 CA ASP B 257 -11.951 -9.864 -2.550 1.00 4.42 C ATOM 2018 C ASP B 257 -12.182 -8.385 -2.265 1.00 4.11 C ATOM 2019 O ASP B 257 -12.546 -7.619 -3.162 1.00 4.54 O ATOM 2020 CB ASP B 257 -12.819 -10.704 -1.606 1.00 5.14 C ATOM 2021 CG ASP B 257 -12.566 -12.192 -1.741 1.00 5.67 C ATOM 2022 OD1 ASP B 257 -13.217 -12.845 -2.585 1.00 5.89 O ATOM 2023 OD2 ASP B 257 -11.710 -12.719 -1.000 1.00 6.20 O ATOM 0 H ASP B 257 -10.380 -11.025 -1.779 1.00 4.14 H new ATOM 0 HA ASP B 257 -12.233 -10.054 -3.586 1.00 4.42 H new ATOM 0 HB2 ASP B 257 -12.627 -10.400 -0.577 1.00 5.14 H new ATOM 0 HB3 ASP B 257 -13.870 -10.499 -1.808 1.00 5.14 H new ATOM 2028 N ASP B 258 -11.995 -7.992 -1.016 1.00 3.83 N ATOM 2029 CA ASP B 258 -12.109 -6.591 -0.628 1.00 4.02 C ATOM 2030 C ASP B 258 -10.771 -5.898 -0.791 1.00 3.23 C ATOM 2031 O ASP B 258 -10.676 -4.816 -1.374 1.00 3.61 O ATOM 2032 CB ASP B 258 -12.591 -6.459 0.820 1.00 4.65 C ATOM 2033 CG ASP B 258 -13.984 -7.013 1.026 1.00 5.54 C ATOM 2034 OD1 ASP B 258 -14.111 -8.223 1.310 1.00 5.91 O ATOM 2035 OD2 ASP B 258 -14.960 -6.245 0.905 1.00 6.14 O ATOM 0 H ASP B 258 -11.763 -8.624 -0.249 1.00 3.83 H new ATOM 0 HA ASP B 258 -12.844 -6.116 -1.278 1.00 4.02 H new ATOM 0 HB2 ASP B 258 -11.896 -6.980 1.479 1.00 4.65 H new ATOM 0 HB3 ASP B 258 -12.576 -5.408 1.109 1.00 4.65 H new ATOM 2040 N ASP B 259 -9.747 -6.553 -0.271 1.00 2.42 N ATOM 2041 CA ASP B 259 -8.387 -6.024 -0.257 1.00 1.79 C ATOM 2042 C ASP B 259 -7.424 -7.144 0.113 1.00 1.13 C ATOM 2043 O ASP B 259 -6.325 -7.239 -0.422 1.00 1.31 O ATOM 2044 CB ASP B 259 -8.283 -4.859 0.733 1.00 1.99 C ATOM 2045 CG ASP B 259 -6.857 -4.404 0.979 1.00 2.65 C ATOM 2046 OD1 ASP B 259 -6.341 -3.589 0.182 1.00 3.05 O ATOM 2047 OD2 ASP B 259 -6.268 -4.833 1.993 1.00 3.32 O ATOM 0 H ASP B 259 -9.833 -7.475 0.158 1.00 2.42 H new ATOM 0 HA ASP B 259 -8.127 -5.645 -1.245 1.00 1.79 H new ATOM 0 HB2 ASP B 259 -8.865 -4.018 0.356 1.00 1.99 H new ATOM 0 HB3 ASP B 259 -8.730 -5.157 1.681 1.00 1.99 H new ATOM 2052 N GLY B 260 -7.863 -7.990 1.045 1.00 0.78 N ATOM 2053 CA GLY B 260 -7.180 -9.242 1.333 1.00 0.59 C ATOM 2054 C GLY B 260 -5.933 -9.098 2.179 1.00 0.57 C ATOM 2055 O GLY B 260 -5.362 -10.095 2.616 1.00 0.84 O ATOM 0 H GLY B 260 -8.694 -7.826 1.614 1.00 0.78 H new ATOM 0 HA2 GLY B 260 -7.874 -9.911 1.842 1.00 0.59 H new ATOM 0 HA3 GLY B 260 -6.911 -9.719 0.391 1.00 0.59 H new ATOM 2059 N PHE B 261 -5.518 -7.870 2.424 1.00 0.48 N ATOM 2060 CA PHE B 261 -4.295 -7.603 3.154 1.00 0.48 C ATOM 2061 C PHE B 261 -4.599 -7.170 4.585 1.00 0.66 C ATOM 2062 O PHE B 261 -5.762 -7.076 4.979 1.00 0.95 O ATOM 2063 CB PHE B 261 -3.514 -6.506 2.442 1.00 0.50 C ATOM 2064 CG PHE B 261 -3.316 -6.742 0.970 1.00 0.46 C ATOM 2065 CD1 PHE B 261 -3.282 -8.025 0.450 1.00 0.44 C ATOM 2066 CD2 PHE B 261 -3.180 -5.672 0.105 1.00 0.67 C ATOM 2067 CE1 PHE B 261 -3.118 -8.234 -0.902 1.00 0.51 C ATOM 2068 CE2 PHE B 261 -3.014 -5.877 -1.249 1.00 0.75 C ATOM 2069 CZ PHE B 261 -2.985 -7.157 -1.754 1.00 0.62 C ATOM 0 H PHE B 261 -6.017 -7.033 2.124 1.00 0.48 H new ATOM 0 HA PHE B 261 -3.703 -8.518 3.191 1.00 0.48 H new ATOM 0 HB2 PHE B 261 -4.035 -5.558 2.579 1.00 0.50 H new ATOM 0 HB3 PHE B 261 -2.538 -6.405 2.916 1.00 0.50 H new ATOM 0 HD1 PHE B 261 -3.385 -8.872 1.112 1.00 0.44 H new ATOM 0 HD2 PHE B 261 -3.204 -4.665 0.494 1.00 0.67 H new ATOM 0 HE1 PHE B 261 -3.094 -9.240 -1.294 1.00 0.51 H new ATOM 0 HE2 PHE B 261 -2.907 -5.032 -1.913 1.00 0.75 H new ATOM 0 HZ PHE B 261 -2.858 -7.318 -2.814 1.00 0.62 H new ATOM 2079 N VAL B 262 -3.553 -6.938 5.366 1.00 0.55 N ATOM 2080 CA VAL B 262 -3.703 -6.429 6.722 1.00 0.67 C ATOM 2081 C VAL B 262 -2.536 -5.498 7.071 1.00 0.54 C ATOM 2082 O VAL B 262 -1.470 -5.573 6.453 1.00 0.50 O ATOM 2083 CB VAL B 262 -3.777 -7.591 7.742 1.00 0.84 C ATOM 2084 CG1 VAL B 262 -2.416 -8.250 7.919 1.00 1.37 C ATOM 2085 CG2 VAL B 262 -4.330 -7.113 9.077 1.00 1.14 C ATOM 0 H VAL B 262 -2.586 -7.095 5.082 1.00 0.55 H new ATOM 0 HA VAL B 262 -4.635 -5.866 6.773 1.00 0.67 H new ATOM 0 HB VAL B 262 -4.463 -8.340 7.346 1.00 0.84 H new ATOM 0 HG11 VAL B 262 -2.496 -9.063 8.641 1.00 1.37 H new ATOM 0 HG12 VAL B 262 -2.077 -8.647 6.962 1.00 1.37 H new ATOM 0 HG13 VAL B 262 -1.699 -7.513 8.281 1.00 1.37 H new ATOM 0 HG21 VAL B 262 -4.371 -7.950 9.774 1.00 1.14 H new ATOM 0 HG22 VAL B 262 -3.683 -6.335 9.481 1.00 1.14 H new ATOM 0 HG23 VAL B 262 -5.333 -6.712 8.933 1.00 1.14 H new ATOM 2095 N GLU B 263 -2.745 -4.611 8.035 1.00 0.57 N ATOM 2096 CA GLU B 263 -1.673 -3.765 8.538 1.00 0.55 C ATOM 2097 C GLU B 263 -1.245 -4.260 9.913 1.00 0.56 C ATOM 2098 O GLU B 263 -2.079 -4.454 10.797 1.00 0.62 O ATOM 2099 CB GLU B 263 -2.116 -2.304 8.621 1.00 0.73 C ATOM 2100 CG GLU B 263 -1.014 -1.365 9.091 1.00 1.21 C ATOM 2101 CD GLU B 263 -1.505 0.046 9.313 1.00 1.73 C ATOM 2102 OE1 GLU B 263 -2.234 0.273 10.303 1.00 2.24 O ATOM 2103 OE2 GLU B 263 -1.162 0.938 8.509 1.00 2.20 O ATOM 0 H GLU B 263 -3.648 -4.459 8.484 1.00 0.57 H new ATOM 0 HA GLU B 263 -0.831 -3.821 7.847 1.00 0.55 H new ATOM 0 HB2 GLU B 263 -2.465 -1.981 7.640 1.00 0.73 H new ATOM 0 HB3 GLU B 263 -2.964 -2.227 9.302 1.00 0.73 H new ATOM 0 HG2 GLU B 263 -0.588 -1.747 10.019 1.00 1.21 H new ATOM 0 HG3 GLU B 263 -0.212 -1.354 8.353 1.00 1.21 H new ATOM 2110 N VAL B 264 0.047 -4.470 10.093 1.00 0.65 N ATOM 2111 CA VAL B 264 0.551 -5.027 11.333 1.00 0.82 C ATOM 2112 C VAL B 264 1.227 -3.952 12.175 1.00 1.08 C ATOM 2113 O VAL B 264 2.299 -3.453 11.828 1.00 1.31 O ATOM 2114 CB VAL B 264 1.543 -6.179 11.073 1.00 1.01 C ATOM 2115 CG1 VAL B 264 1.956 -6.833 12.384 1.00 1.41 C ATOM 2116 CG2 VAL B 264 0.931 -7.208 10.132 1.00 1.31 C ATOM 0 H VAL B 264 0.764 -4.263 9.397 1.00 0.65 H new ATOM 0 HA VAL B 264 -0.305 -5.424 11.879 1.00 0.82 H new ATOM 0 HB VAL B 264 2.434 -5.766 10.599 1.00 1.01 H new ATOM 0 HG11 VAL B 264 2.656 -7.644 12.182 1.00 1.41 H new ATOM 0 HG12 VAL B 264 2.434 -6.092 13.025 1.00 1.41 H new ATOM 0 HG13 VAL B 264 1.074 -7.232 12.885 1.00 1.41 H new ATOM 0 HG21 VAL B 264 1.645 -8.013 9.960 1.00 1.31 H new ATOM 0 HG22 VAL B 264 0.024 -7.616 10.579 1.00 1.31 H new ATOM 0 HG23 VAL B 264 0.685 -6.732 9.183 1.00 1.31 H new ATOM 2126 N ASP B 265 0.583 -3.588 13.273 1.00 1.21 N ATOM 2127 CA ASP B 265 1.138 -2.617 14.201 1.00 1.59 C ATOM 2128 C ASP B 265 1.214 -3.227 15.595 1.00 1.83 C ATOM 2129 O ASP B 265 2.299 -3.172 16.211 1.00 2.02 O ATOM 2130 CB ASP B 265 0.320 -1.310 14.209 1.00 1.75 C ATOM 2131 CG ASP B 265 -1.091 -1.462 14.754 1.00 2.35 C ATOM 2132 OD1 ASP B 265 -2.009 -1.803 13.974 1.00 2.67 O ATOM 2133 OD2 ASP B 265 -1.296 -1.222 15.963 1.00 3.04 O ATOM 2134 OXT ASP B 265 0.206 -3.816 16.045 1.00 2.32 O ATOM 0 H ASP B 265 -0.330 -3.953 13.544 1.00 1.21 H new ATOM 0 HA ASP B 265 2.145 -2.359 13.872 1.00 1.59 H new ATOM 0 HB2 ASP B 265 0.850 -0.567 14.805 1.00 1.75 H new ATOM 0 HB3 ASP B 265 0.265 -0.923 13.192 1.00 1.75 H new TER 2139 ASP B 265