USER MOD reduce.3.24.130724 H: found=0, std=0, add=1017, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1018 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 103 THR OG1 : rot -170:sc= 0 USER MOD Set 1.2: A 106 GLN : amide:sc= -0.999 K(o=-1,f=-5.6!) USER MOD Set 2.1: A 93 ASN : amide:sc= -0.843! K(o=0.14!,f=-4.4) USER MOD Set 2.2: A 95 THR OG1 : rot 98:sc= 0.979 USER MOD Set 3.1: A 59 MET CE :methyl -164:sc= -3.63! (180deg=-5.6!) USER MOD Set 3.2: A 88 MET CE :methyl -175:sc= -1.58 (180deg=-1.73) USER MOD Set 4.1: A 51 THR OG1 : rot 136:sc= 1.17 USER MOD Set 4.2: A 97 MET CE :methyl -136:sc= -0.351 (180deg=-0.866) USER MOD Set 5.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 13 SER OG : rot 79:sc= 0.42 USER MOD Set 6.2: A 32 THR OG1 : rot -170:sc= 0.541 USER MOD Set 7.1: A 2 SER OG : rot -36:sc= 0.198 USER MOD Set 7.2: A 3 HIS : no HD1:sc= 0.239 K(o=0.44,f=-0.39) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.0451 K(o=0.045,f=-2.1) USER MOD Single : A 23 SER OG : rot -19:sc= 0.658! USER MOD Single : A 31 SER OG : rot 36:sc= 0.799 USER MOD Single : A 36 LYS NZ :NH3+ 144:sc= 0.698 (180deg=-0.709) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -3.68! C(o=-5.2!,f=-3.7!) USER MOD Single : A 43 SER OG : rot -145:sc= -2.41 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.985 K(o=-0.98,f=-3.1!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.143 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -173:sc= -5.45! (180deg=-5.75!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -100:sc= -0.958 (180deg=-2.29!) USER MOD Single : A 71 LYS NZ :NH3+ -140:sc= 0.211 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.0219 X(o=-0.022,f=-0.022) USER MOD Single : A 78 ASN : amide:sc= -1.6 K(o=-1.6,f=-3.3!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.065) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.0067 X(o=-0.0067,f=-0.35) USER MOD Single : A 99 ASN :FLIP amide:sc= -1.8 F(o=-2.7,f=-1.8) USER MOD Single : A 101 LYS NZ :NH3+ 146:sc= -3.53! (180deg=-5.4!) USER MOD Single : A 102 MET CE :methyl -176:sc= -3.57 (180deg=-3.69) USER MOD Single : A 105 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.021) USER MOD Single : A 109 SER OG : rot -78:sc= -0.249 USER MOD Single : A 111 TYR OH : rot 130:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 SER OG : rot 180:sc= 0 USER MOD Single : B 52 GLN : amide:sc= -0.31 X(o=-0.31,f=-0.091) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -13.898 -6.302 9.278 1.00 0.00 N ATOM 2 CA PRO A 1 -13.215 -5.055 9.677 1.00 0.00 C ATOM 3 C PRO A 1 -12.125 -5.312 10.715 1.00 0.00 C ATOM 4 O PRO A 1 -11.974 -6.429 11.208 1.00 0.00 O ATOM 5 CB PRO A 1 -14.290 -4.134 10.241 1.00 0.00 C ATOM 6 CG PRO A 1 -15.585 -4.746 9.798 1.00 0.00 C ATOM 7 CD PRO A 1 -15.333 -6.227 9.592 1.00 0.00 C ATOM 0 H2 PRO A 1 -13.479 -7.096 9.762 1.00 0.00 H new ATOM 0 H3 PRO A 1 -13.771 -6.461 8.279 1.00 0.00 H new ATOM 0 HA PRO A 1 -12.715 -4.606 8.819 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -14.231 -4.075 11.328 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -14.181 -3.118 9.860 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -16.361 -4.588 10.547 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -15.934 -4.283 8.875 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -15.577 -6.802 10.485 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -15.941 -6.626 8.780 1.00 0.00 H new ATOM 17 N SER A 2 -11.368 -4.269 11.040 1.00 0.00 N ATOM 18 CA SER A 2 -10.292 -4.378 12.020 1.00 0.00 C ATOM 19 C SER A 2 -9.286 -5.450 11.607 1.00 0.00 C ATOM 20 O SER A 2 -9.545 -6.645 11.744 1.00 0.00 O ATOM 21 CB SER A 2 -10.863 -4.705 13.400 1.00 0.00 C ATOM 22 OG SER A 2 -9.885 -4.528 14.411 1.00 0.00 O ATOM 0 H SER A 2 -11.480 -3.338 10.639 1.00 0.00 H new ATOM 0 HA SER A 2 -9.777 -3.419 12.065 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.721 -4.064 13.603 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.223 -5.734 13.414 1.00 0.00 H new ATOM 0 HG SER A 2 -9.007 -4.792 14.066 1.00 0.00 H new ATOM 28 N HIS A 3 -8.138 -5.011 11.103 1.00 0.00 N ATOM 29 CA HIS A 3 -7.087 -5.926 10.671 1.00 0.00 C ATOM 30 C HIS A 3 -7.556 -6.786 9.508 1.00 0.00 C ATOM 31 O HIS A 3 -7.139 -7.935 9.354 1.00 0.00 O ATOM 32 CB HIS A 3 -6.638 -6.800 11.839 1.00 0.00 C ATOM 33 CG HIS A 3 -6.058 -6.006 12.965 1.00 0.00 C ATOM 34 ND1 HIS A 3 -6.826 -5.446 13.963 1.00 0.00 N ATOM 35 CD2 HIS A 3 -4.779 -5.656 13.233 1.00 0.00 C ATOM 36 CE1 HIS A 3 -6.046 -4.784 14.796 1.00 0.00 C ATOM 37 NE2 HIS A 3 -4.797 -4.898 14.378 1.00 0.00 N ATOM 0 H HIS A 3 -7.911 -4.024 10.983 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.238 -5.335 10.328 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.489 -7.374 12.206 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -5.897 -7.518 11.487 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -3.907 -5.923 12.655 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.372 -4.241 15.671 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -3.980 -4.490 14.832 1.00 0.00 H new ATOM 46 N SER A 4 -8.412 -6.206 8.680 1.00 0.00 N ATOM 47 CA SER A 4 -8.939 -6.888 7.505 1.00 0.00 C ATOM 48 C SER A 4 -9.923 -5.999 6.765 1.00 0.00 C ATOM 49 O SER A 4 -10.281 -4.919 7.235 1.00 0.00 O ATOM 50 CB SER A 4 -9.616 -8.210 7.872 1.00 0.00 C ATOM 51 OG SER A 4 -10.703 -8.001 8.758 1.00 0.00 O ATOM 0 H SER A 4 -8.760 -5.255 8.801 1.00 0.00 H new ATOM 0 HA SER A 4 -8.092 -7.108 6.855 1.00 0.00 H new ATOM 0 HB2 SER A 4 -9.971 -8.703 6.967 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.889 -8.878 8.335 1.00 0.00 H new ATOM 0 HG SER A 4 -11.118 -8.862 8.975 1.00 0.00 H new ATOM 57 N GLY A 5 -10.355 -6.462 5.602 1.00 0.00 N ATOM 58 CA GLY A 5 -11.293 -5.702 4.807 1.00 0.00 C ATOM 59 C GLY A 5 -11.172 -6.016 3.333 1.00 0.00 C ATOM 60 O GLY A 5 -10.129 -5.779 2.726 1.00 0.00 O ATOM 0 H GLY A 5 -10.071 -7.353 5.195 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.308 -5.916 5.141 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.123 -4.637 4.966 1.00 0.00 H new ATOM 64 N ALA A 6 -12.243 -6.557 2.761 1.00 0.00 N ATOM 65 CA ALA A 6 -12.265 -6.917 1.345 1.00 0.00 C ATOM 66 C ALA A 6 -11.556 -5.866 0.497 1.00 0.00 C ATOM 67 O ALA A 6 -11.962 -4.705 0.460 1.00 0.00 O ATOM 68 CB ALA A 6 -13.695 -7.113 0.875 1.00 0.00 C ATOM 0 H ALA A 6 -13.111 -6.757 3.258 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.726 -7.857 1.224 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.697 -7.381 -0.182 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.162 -7.911 1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.254 -6.188 1.016 1.00 0.00 H new ATOM 74 N ALA A 7 -10.483 -6.280 -0.169 1.00 0.00 N ATOM 75 CA ALA A 7 -9.705 -5.363 -1.002 1.00 0.00 C ATOM 76 C ALA A 7 -9.369 -5.978 -2.358 1.00 0.00 C ATOM 77 O ALA A 7 -9.253 -7.194 -2.486 1.00 0.00 O ATOM 78 CB ALA A 7 -8.426 -4.959 -0.276 1.00 0.00 C ATOM 0 H ALA A 7 -10.132 -7.238 -0.150 1.00 0.00 H new ATOM 0 HA ALA A 7 -10.315 -4.478 -1.184 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.852 -4.276 -0.903 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.680 -4.464 0.661 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.830 -5.847 -0.067 1.00 0.00 H new ATOM 84 N ILE A 8 -9.201 -5.130 -3.370 1.00 0.00 N ATOM 85 CA ILE A 8 -8.866 -5.604 -4.708 1.00 0.00 C ATOM 86 C ILE A 8 -7.374 -5.487 -4.963 1.00 0.00 C ATOM 87 O ILE A 8 -6.783 -4.418 -4.806 1.00 0.00 O ATOM 88 CB ILE A 8 -9.640 -4.841 -5.809 1.00 0.00 C ATOM 89 CG1 ILE A 8 -11.051 -5.409 -5.930 1.00 0.00 C ATOM 90 CG2 ILE A 8 -8.932 -4.907 -7.156 1.00 0.00 C ATOM 91 CD1 ILE A 8 -12.116 -4.436 -5.517 1.00 0.00 C ATOM 0 H ILE A 8 -9.291 -4.117 -3.289 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.162 -6.652 -4.752 1.00 0.00 H new ATOM 0 HB ILE A 8 -9.687 -3.792 -5.518 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.226 -5.713 -6.962 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -11.129 -6.306 -5.315 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -9.511 -4.358 -7.899 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -7.940 -4.463 -7.068 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.837 -5.947 -7.467 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.096 -4.901 -5.626 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -11.964 -4.150 -4.476 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.063 -3.549 -6.148 1.00 0.00 H new ATOM 103 N PHE A 9 -6.778 -6.593 -5.367 1.00 0.00 N ATOM 104 CA PHE A 9 -5.348 -6.619 -5.660 1.00 0.00 C ATOM 105 C PHE A 9 -5.103 -6.989 -7.117 1.00 0.00 C ATOM 106 O PHE A 9 -5.627 -7.986 -7.611 1.00 0.00 O ATOM 107 CB PHE A 9 -4.626 -7.605 -4.743 1.00 0.00 C ATOM 108 CG PHE A 9 -3.141 -7.391 -4.693 1.00 0.00 C ATOM 109 CD1 PHE A 9 -2.618 -6.141 -4.404 1.00 0.00 C ATOM 110 CD2 PHE A 9 -2.266 -8.438 -4.937 1.00 0.00 C ATOM 111 CE1 PHE A 9 -1.251 -5.938 -4.361 1.00 0.00 C ATOM 112 CE2 PHE A 9 -0.899 -8.242 -4.896 1.00 0.00 C ATOM 113 CZ PHE A 9 -0.392 -6.990 -4.606 1.00 0.00 C ATOM 0 H PHE A 9 -7.255 -7.485 -5.501 1.00 0.00 H new ATOM 0 HA PHE A 9 -4.951 -5.620 -5.481 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.033 -7.518 -3.735 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.829 -8.621 -5.082 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.286 -5.315 -4.210 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.658 -9.419 -5.162 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -0.856 -4.958 -4.136 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -0.228 -9.066 -5.090 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.676 -6.835 -4.571 1.00 0.00 H new ATOM 123 N GLU A 10 -4.305 -6.177 -7.805 1.00 0.00 N ATOM 124 CA GLU A 10 -4.001 -6.425 -9.209 1.00 0.00 C ATOM 125 C GLU A 10 -5.276 -6.444 -10.037 1.00 0.00 C ATOM 126 O GLU A 10 -5.413 -7.239 -10.966 1.00 0.00 O ATOM 127 CB GLU A 10 -3.257 -7.752 -9.364 1.00 0.00 C ATOM 128 CG GLU A 10 -2.016 -7.854 -8.494 1.00 0.00 C ATOM 129 CD GLU A 10 -1.245 -9.141 -8.722 1.00 0.00 C ATOM 130 OE1 GLU A 10 -1.791 -10.053 -9.378 1.00 0.00 O ATOM 131 OE2 GLU A 10 -0.096 -9.237 -8.243 1.00 0.00 O ATOM 0 H GLU A 10 -3.860 -5.346 -7.415 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.364 -5.618 -9.570 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.933 -8.570 -9.116 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.971 -7.880 -10.408 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.364 -7.004 -8.697 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.306 -7.790 -7.445 1.00 0.00 H new ATOM 138 N LYS A 11 -6.223 -5.575 -9.677 1.00 0.00 N ATOM 139 CA LYS A 11 -7.501 -5.505 -10.373 1.00 0.00 C ATOM 140 C LYS A 11 -8.356 -6.724 -10.035 1.00 0.00 C ATOM 141 O LYS A 11 -9.468 -6.872 -10.542 1.00 0.00 O ATOM 142 CB LYS A 11 -7.301 -5.395 -11.889 1.00 0.00 C ATOM 143 CG LYS A 11 -7.567 -4.002 -12.433 1.00 0.00 C ATOM 144 CD LYS A 11 -7.254 -3.912 -13.918 1.00 0.00 C ATOM 145 CE LYS A 11 -5.898 -3.269 -14.162 1.00 0.00 C ATOM 146 NZ LYS A 11 -5.183 -3.898 -15.308 1.00 0.00 N ATOM 0 H LYS A 11 -6.125 -4.912 -8.908 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.020 -4.607 -10.037 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.279 -5.684 -12.135 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.962 -6.104 -12.388 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.611 -3.738 -12.264 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.963 -3.277 -11.889 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.269 -4.910 -14.355 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.029 -3.332 -14.420 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -6.031 -2.205 -14.357 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -5.288 -3.355 -13.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.263 -3.431 -15.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.033 -4.908 -15.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.753 -3.794 -16.172 1.00 0.00 H new ATOM 160 N VAL A 12 -7.837 -7.584 -9.159 1.00 0.00 N ATOM 161 CA VAL A 12 -8.556 -8.767 -8.739 1.00 0.00 C ATOM 162 C VAL A 12 -9.146 -8.543 -7.371 1.00 0.00 C ATOM 163 O VAL A 12 -8.577 -7.838 -6.543 1.00 0.00 O ATOM 164 CB VAL A 12 -7.655 -10.014 -8.716 1.00 0.00 C ATOM 165 CG1 VAL A 12 -8.301 -11.156 -7.933 1.00 0.00 C ATOM 166 CG2 VAL A 12 -7.374 -10.435 -10.137 1.00 0.00 C ATOM 0 H VAL A 12 -6.918 -7.475 -8.730 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.349 -8.946 -9.465 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.721 -9.769 -8.211 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.638 -12.021 -7.937 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.477 -10.839 -6.905 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.250 -11.424 -8.397 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.736 -11.319 -10.135 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.313 -10.666 -10.640 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.870 -9.625 -10.664 1.00 0.00 H new ATOM 176 N SER A 13 -10.290 -9.134 -7.143 1.00 0.00 N ATOM 177 CA SER A 13 -10.955 -8.974 -5.865 1.00 0.00 C ATOM 178 C SER A 13 -10.456 -9.981 -4.846 1.00 0.00 C ATOM 179 O SER A 13 -10.097 -11.109 -5.184 1.00 0.00 O ATOM 180 CB SER A 13 -12.460 -9.083 -6.020 1.00 0.00 C ATOM 181 OG SER A 13 -12.838 -10.358 -6.511 1.00 0.00 O ATOM 0 H SER A 13 -10.781 -9.725 -7.814 1.00 0.00 H new ATOM 0 HA SER A 13 -10.714 -7.977 -5.497 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.940 -8.905 -5.058 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.814 -8.309 -6.701 1.00 0.00 H new ATOM 0 HG SER A 13 -12.823 -11.008 -5.778 1.00 0.00 H new ATOM 187 N GLY A 14 -10.429 -9.550 -3.596 1.00 0.00 N ATOM 188 CA GLY A 14 -9.967 -10.396 -2.523 1.00 0.00 C ATOM 189 C GLY A 14 -10.087 -9.715 -1.183 1.00 0.00 C ATOM 190 O GLY A 14 -10.551 -8.583 -1.096 1.00 0.00 O ATOM 0 H GLY A 14 -10.723 -8.618 -3.305 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.545 -11.320 -2.514 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -8.927 -10.672 -2.699 1.00 0.00 H new ATOM 194 N ILE A 15 -9.671 -10.404 -0.137 1.00 0.00 N ATOM 195 CA ILE A 15 -9.731 -9.849 1.199 1.00 0.00 C ATOM 196 C ILE A 15 -8.353 -9.428 1.652 1.00 0.00 C ATOM 197 O ILE A 15 -7.376 -10.148 1.457 1.00 0.00 O ATOM 198 CB ILE A 15 -10.298 -10.853 2.216 1.00 0.00 C ATOM 199 CG1 ILE A 15 -11.523 -11.548 1.619 1.00 0.00 C ATOM 200 CG2 ILE A 15 -10.628 -10.158 3.539 1.00 0.00 C ATOM 201 CD1 ILE A 15 -12.783 -10.715 1.627 1.00 0.00 C ATOM 0 H ILE A 15 -9.288 -11.348 -0.188 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.397 -8.987 1.155 1.00 0.00 H new ATOM 0 HB ILE A 15 -9.546 -11.611 2.434 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -11.298 -11.833 0.591 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -11.708 -12.469 2.172 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -11.028 -10.887 4.243 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.723 -9.713 3.952 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -11.369 -9.378 3.365 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -13.600 -11.286 1.186 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -13.038 -10.451 2.653 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.622 -9.806 1.048 1.00 0.00 H new ATOM 213 N ILE A 16 -8.284 -8.274 2.279 1.00 0.00 N ATOM 214 CA ILE A 16 -7.028 -7.777 2.783 1.00 0.00 C ATOM 215 C ILE A 16 -7.048 -7.919 4.293 1.00 0.00 C ATOM 216 O ILE A 16 -7.906 -7.355 4.964 1.00 0.00 O ATOM 217 CB ILE A 16 -6.801 -6.298 2.366 1.00 0.00 C ATOM 218 CG1 ILE A 16 -5.627 -6.192 1.389 1.00 0.00 C ATOM 219 CG2 ILE A 16 -6.570 -5.394 3.565 1.00 0.00 C ATOM 220 CD1 ILE A 16 -5.321 -4.772 0.963 1.00 0.00 C ATOM 0 H ILE A 16 -9.084 -7.665 2.451 1.00 0.00 H new ATOM 0 HA ILE A 16 -6.203 -8.351 2.361 1.00 0.00 H new ATOM 0 HB ILE A 16 -7.711 -5.959 1.872 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.739 -6.623 1.852 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.846 -6.789 0.504 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.416 -4.370 3.224 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.439 -5.431 4.222 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -5.689 -5.731 4.110 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.479 -4.773 0.271 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -6.194 -4.344 0.471 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -5.070 -4.175 1.840 1.00 0.00 H new ATOM 232 N ALA A 17 -6.127 -8.711 4.815 1.00 0.00 N ATOM 233 CA ALA A 17 -6.072 -8.960 6.244 1.00 0.00 C ATOM 234 C ALA A 17 -4.696 -8.645 6.812 1.00 0.00 C ATOM 235 O ALA A 17 -3.682 -9.165 6.349 1.00 0.00 O ATOM 236 CB ALA A 17 -6.477 -10.397 6.527 1.00 0.00 C ATOM 0 H ALA A 17 -5.409 -9.191 4.272 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.776 -8.294 6.743 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.435 -10.582 7.600 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -7.493 -10.566 6.169 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -5.794 -11.075 6.015 1.00 0.00 H new ATOM 242 N ILE A 18 -4.678 -7.776 7.816 1.00 0.00 N ATOM 243 CA ILE A 18 -3.439 -7.364 8.457 1.00 0.00 C ATOM 244 C ILE A 18 -3.207 -8.140 9.751 1.00 0.00 C ATOM 245 O ILE A 18 -4.138 -8.379 10.518 1.00 0.00 O ATOM 246 CB ILE A 18 -3.465 -5.848 8.748 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.480 -5.066 7.434 1.00 0.00 C ATOM 248 CG2 ILE A 18 -2.282 -5.432 9.612 1.00 0.00 C ATOM 249 CD1 ILE A 18 -3.907 -3.623 7.590 1.00 0.00 C ATOM 0 H ILE A 18 -5.515 -7.341 8.205 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.618 -7.582 7.775 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.374 -5.619 9.305 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.484 -5.095 6.993 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.153 -5.561 6.734 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.328 -4.359 9.800 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.318 -5.968 10.560 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.352 -5.670 9.095 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.893 -3.132 6.617 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -4.916 -3.584 8.002 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.220 -3.111 8.264 1.00 0.00 H new ATOM 261 N ASN A 19 -1.960 -8.533 9.982 1.00 0.00 N ATOM 262 CA ASN A 19 -1.607 -9.285 11.180 1.00 0.00 C ATOM 263 C ASN A 19 -0.392 -8.674 11.869 1.00 0.00 C ATOM 264 O ASN A 19 0.719 -8.710 11.340 1.00 0.00 O ATOM 265 CB ASN A 19 -1.325 -10.746 10.825 1.00 0.00 C ATOM 266 CG ASN A 19 -1.283 -11.640 12.050 1.00 0.00 C ATOM 267 OD1 ASN A 19 -1.732 -11.256 13.129 1.00 0.00 O ATOM 268 ND2 ASN A 19 -0.739 -12.840 11.887 1.00 0.00 N ATOM 0 H ASN A 19 -1.177 -8.344 9.356 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.452 -9.241 11.868 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -2.094 -11.106 10.142 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.373 -10.812 10.297 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.681 -13.485 12.675 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.379 -13.117 10.974 1.00 0.00 H new ATOM 275 N GLU A 20 -0.611 -8.114 13.055 1.00 0.00 N ATOM 276 CA GLU A 20 0.470 -7.497 13.818 1.00 0.00 C ATOM 277 C GLU A 20 1.197 -8.525 14.683 1.00 0.00 C ATOM 278 O GLU A 20 2.141 -8.190 15.396 1.00 0.00 O ATOM 279 CB GLU A 20 -0.074 -6.367 14.694 1.00 0.00 C ATOM 280 CG GLU A 20 -0.728 -5.247 13.903 1.00 0.00 C ATOM 281 CD GLU A 20 -1.196 -4.104 14.785 1.00 0.00 C ATOM 282 OE1 GLU A 20 -1.228 -4.283 16.021 1.00 0.00 O ATOM 283 OE2 GLU A 20 -1.531 -3.032 14.239 1.00 0.00 O ATOM 0 H GLU A 20 -1.524 -8.075 13.508 1.00 0.00 H new ATOM 0 HA GLU A 20 1.186 -7.085 13.107 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.801 -6.779 15.394 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.741 -5.954 15.287 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.020 -4.866 13.167 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.579 -5.646 13.351 1.00 0.00 H new ATOM 290 N ASP A 21 0.764 -9.781 14.606 1.00 0.00 N ATOM 291 CA ASP A 21 1.388 -10.848 15.371 1.00 0.00 C ATOM 292 C ASP A 21 2.707 -11.256 14.729 1.00 0.00 C ATOM 293 O ASP A 21 3.549 -11.894 15.360 1.00 0.00 O ATOM 294 CB ASP A 21 0.454 -12.057 15.452 1.00 0.00 C ATOM 295 CG ASP A 21 0.966 -13.121 16.405 1.00 0.00 C ATOM 296 OD1 ASP A 21 0.717 -12.996 17.622 1.00 0.00 O ATOM 297 OD2 ASP A 21 1.614 -14.077 15.932 1.00 0.00 O ATOM 0 H ASP A 21 -0.016 -10.081 14.021 1.00 0.00 H new ATOM 0 HA ASP A 21 1.583 -10.483 16.379 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.534 -11.729 15.775 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.337 -12.489 14.458 1.00 0.00 H new ATOM 302 N VAL A 22 2.878 -10.881 13.464 1.00 0.00 N ATOM 303 CA VAL A 22 4.083 -11.202 12.726 1.00 0.00 C ATOM 304 C VAL A 22 5.071 -10.042 12.769 1.00 0.00 C ATOM 305 O VAL A 22 4.693 -8.887 12.579 1.00 0.00 O ATOM 306 CB VAL A 22 3.768 -11.533 11.255 1.00 0.00 C ATOM 307 CG1 VAL A 22 3.443 -13.009 11.095 1.00 0.00 C ATOM 308 CG2 VAL A 22 2.630 -10.669 10.727 1.00 0.00 C ATOM 0 H VAL A 22 2.188 -10.351 12.931 1.00 0.00 H new ATOM 0 HA VAL A 22 4.525 -12.077 13.202 1.00 0.00 H new ATOM 0 HB VAL A 22 4.657 -11.311 10.664 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.223 -13.222 10.049 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.297 -13.606 11.416 1.00 0.00 H new ATOM 0 HG13 VAL A 22 2.575 -13.259 11.706 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.431 -10.926 9.687 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.734 -10.844 11.322 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.910 -9.618 10.794 1.00 0.00 H new ATOM 318 N SER A 23 6.338 -10.353 13.020 1.00 0.00 N ATOM 319 CA SER A 23 7.370 -9.329 13.086 1.00 0.00 C ATOM 320 C SER A 23 8.340 -9.450 11.907 1.00 0.00 C ATOM 321 O SER A 23 9.037 -10.456 11.772 1.00 0.00 O ATOM 322 CB SER A 23 8.127 -9.427 14.411 1.00 0.00 C ATOM 323 OG SER A 23 9.352 -10.127 14.259 1.00 0.00 O ATOM 0 H SER A 23 6.673 -11.303 13.180 1.00 0.00 H new ATOM 0 HA SER A 23 6.887 -8.354 13.027 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.324 -8.426 14.794 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.506 -9.934 15.149 1.00 0.00 H new ATOM 0 HG SER A 23 9.324 -10.662 13.438 1.00 0.00 H new ATOM 329 N PRO A 24 8.401 -8.424 11.034 1.00 0.00 N ATOM 330 CA PRO A 24 7.590 -7.209 11.159 1.00 0.00 C ATOM 331 C PRO A 24 6.156 -7.425 10.689 1.00 0.00 C ATOM 332 O PRO A 24 5.891 -8.293 9.857 1.00 0.00 O ATOM 333 CB PRO A 24 8.307 -6.223 10.247 1.00 0.00 C ATOM 334 CG PRO A 24 8.910 -7.074 9.184 1.00 0.00 C ATOM 335 CD PRO A 24 9.277 -8.375 9.847 1.00 0.00 C ATOM 0 HA PRO A 24 7.503 -6.873 12.192 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.614 -5.494 9.827 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.070 -5.663 10.788 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.205 -7.237 8.369 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.789 -6.595 8.753 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.103 -9.224 9.186 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.330 -8.399 10.126 1.00 0.00 H new ATOM 343 N ALA A 25 5.236 -6.630 11.223 1.00 0.00 N ATOM 344 CA ALA A 25 3.828 -6.733 10.849 1.00 0.00 C ATOM 345 C ALA A 25 3.668 -6.748 9.334 1.00 0.00 C ATOM 346 O ALA A 25 4.344 -6.004 8.624 1.00 0.00 O ATOM 347 CB ALA A 25 3.030 -5.589 11.456 1.00 0.00 C ATOM 0 H ALA A 25 5.438 -5.908 11.915 1.00 0.00 H new ATOM 0 HA ALA A 25 3.441 -7.673 11.242 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.983 -5.682 11.167 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.111 -5.625 12.542 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.423 -4.639 11.094 1.00 0.00 H new ATOM 353 N GLU A 26 2.782 -7.606 8.843 1.00 0.00 N ATOM 354 CA GLU A 26 2.554 -7.720 7.408 1.00 0.00 C ATOM 355 C GLU A 26 1.065 -7.753 7.079 1.00 0.00 C ATOM 356 O GLU A 26 0.228 -8.018 7.941 1.00 0.00 O ATOM 357 CB GLU A 26 3.229 -8.982 6.868 1.00 0.00 C ATOM 358 CG GLU A 26 4.737 -8.998 7.068 1.00 0.00 C ATOM 359 CD GLU A 26 5.246 -10.344 7.548 1.00 0.00 C ATOM 360 OE1 GLU A 26 4.557 -10.979 8.374 1.00 0.00 O ATOM 361 OE2 GLU A 26 6.333 -10.762 7.099 1.00 0.00 O ATOM 0 H GLU A 26 2.212 -8.230 9.414 1.00 0.00 H new ATOM 0 HA GLU A 26 2.987 -6.840 6.932 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.796 -9.854 7.359 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.011 -9.074 5.804 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.227 -8.742 6.129 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.012 -8.230 7.791 1.00 0.00 H new ATOM 368 N LEU A 27 0.753 -7.493 5.814 1.00 0.00 N ATOM 369 CA LEU A 27 -0.625 -7.502 5.338 1.00 0.00 C ATOM 370 C LEU A 27 -0.770 -8.523 4.217 1.00 0.00 C ATOM 371 O LEU A 27 -0.024 -8.490 3.239 1.00 0.00 O ATOM 372 CB LEU A 27 -1.024 -6.107 4.846 1.00 0.00 C ATOM 373 CG LEU A 27 -2.387 -6.022 4.153 1.00 0.00 C ATOM 374 CD1 LEU A 27 -2.936 -4.604 4.229 1.00 0.00 C ATOM 375 CD2 LEU A 27 -2.278 -6.477 2.705 1.00 0.00 C ATOM 0 H LEU A 27 1.442 -7.272 5.095 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.287 -7.779 6.158 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.025 -5.426 5.697 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.260 -5.752 4.154 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.079 -6.686 4.670 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.905 -4.562 3.732 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.051 -4.314 5.273 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.245 -3.920 3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.256 -6.410 2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.571 -5.838 2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.929 -7.509 2.673 1.00 0.00 H new ATOM 387 N THR A 28 -1.713 -9.444 4.372 1.00 0.00 N ATOM 388 CA THR A 28 -1.920 -10.485 3.372 1.00 0.00 C ATOM 389 C THR A 28 -3.262 -10.347 2.663 1.00 0.00 C ATOM 390 O THR A 28 -4.314 -10.285 3.298 1.00 0.00 O ATOM 391 CB THR A 28 -1.824 -11.864 4.027 1.00 0.00 C ATOM 392 OG1 THR A 28 -0.603 -12.002 4.731 1.00 0.00 O ATOM 393 CG2 THR A 28 -1.914 -13.004 3.035 1.00 0.00 C ATOM 0 H THR A 28 -2.342 -9.492 5.173 1.00 0.00 H new ATOM 0 HA THR A 28 -1.138 -10.373 2.621 1.00 0.00 H new ATOM 0 HB THR A 28 -2.677 -11.923 4.703 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.562 -12.890 5.144 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.839 -13.954 3.564 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.868 -12.955 2.510 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.100 -12.925 2.315 1.00 0.00 H new ATOM 401 N TRP A 29 -3.208 -10.321 1.335 1.00 0.00 N ATOM 402 CA TRP A 29 -4.394 -10.219 0.513 1.00 0.00 C ATOM 403 C TRP A 29 -4.771 -11.592 -0.026 1.00 0.00 C ATOM 404 O TRP A 29 -3.938 -12.293 -0.599 1.00 0.00 O ATOM 405 CB TRP A 29 -4.143 -9.270 -0.657 1.00 0.00 C ATOM 406 CG TRP A 29 -5.283 -9.235 -1.620 1.00 0.00 C ATOM 407 CD1 TRP A 29 -6.477 -8.626 -1.422 1.00 0.00 C ATOM 408 CD2 TRP A 29 -5.347 -9.848 -2.912 1.00 0.00 C ATOM 409 NE1 TRP A 29 -7.290 -8.805 -2.517 1.00 0.00 N ATOM 410 CE2 TRP A 29 -6.617 -9.554 -3.446 1.00 0.00 C ATOM 411 CE3 TRP A 29 -4.457 -10.612 -3.672 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -7.016 -9.997 -4.703 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -4.855 -11.051 -4.920 1.00 0.00 C ATOM 414 CH2 TRP A 29 -6.125 -10.744 -5.425 1.00 0.00 C ATOM 0 H TRP A 29 -2.338 -10.370 0.805 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.209 -9.831 1.124 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.965 -8.265 -0.274 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.238 -9.577 -1.181 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.751 -8.079 -0.532 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -8.237 -8.440 -2.620 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -3.476 -10.855 -3.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.994 -9.760 -5.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.175 -11.641 -5.517 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.407 -11.104 -6.404 1.00 0.00 H new ATOM 425 N ARG A 30 -6.027 -11.969 0.153 1.00 0.00 N ATOM 426 CA ARG A 30 -6.501 -13.262 -0.329 1.00 0.00 C ATOM 427 C ARG A 30 -7.761 -13.098 -1.169 1.00 0.00 C ATOM 428 O ARG A 30 -8.786 -12.638 -0.675 1.00 0.00 O ATOM 429 CB ARG A 30 -6.770 -14.204 0.844 1.00 0.00 C ATOM 430 CG ARG A 30 -6.685 -15.675 0.471 1.00 0.00 C ATOM 431 CD ARG A 30 -6.865 -16.574 1.684 1.00 0.00 C ATOM 432 NE ARG A 30 -5.932 -16.240 2.759 1.00 0.00 N ATOM 433 CZ ARG A 30 -6.182 -15.339 3.710 1.00 0.00 C ATOM 434 NH1 ARG A 30 -7.329 -14.670 3.718 1.00 0.00 N ATOM 435 NH2 ARG A 30 -5.280 -15.105 4.652 1.00 0.00 N ATOM 0 H ARG A 30 -6.734 -11.405 0.625 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.722 -13.695 -0.956 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -6.053 -13.997 1.638 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -7.761 -13.996 1.247 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.449 -15.907 -0.271 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.719 -15.878 0.008 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.887 -16.486 2.051 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -6.721 -17.613 1.389 1.00 0.00 H new ATOM 0 HE ARG A 30 -5.035 -16.726 2.783 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.026 -14.844 2.994 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.513 -13.982 4.449 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -4.396 -15.614 4.649 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -5.470 -14.416 5.380 1.00 0.00 H new ATOM 449 N SER A 31 -7.680 -13.481 -2.444 1.00 0.00 N ATOM 450 CA SER A 31 -8.821 -13.369 -3.352 1.00 0.00 C ATOM 451 C SER A 31 -10.102 -13.863 -2.677 1.00 0.00 C ATOM 452 O SER A 31 -10.051 -14.662 -1.743 1.00 0.00 O ATOM 453 CB SER A 31 -8.559 -14.166 -4.632 1.00 0.00 C ATOM 454 OG SER A 31 -9.547 -13.901 -5.612 1.00 0.00 O ATOM 0 H SER A 31 -6.839 -13.870 -2.870 1.00 0.00 H new ATOM 0 HA SER A 31 -8.951 -12.318 -3.610 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.575 -13.913 -5.026 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.546 -15.232 -4.404 1.00 0.00 H new ATOM 0 HG SER A 31 -9.817 -12.961 -5.558 1.00 0.00 H new ATOM 460 N THR A 32 -11.249 -13.383 -3.154 1.00 0.00 N ATOM 461 CA THR A 32 -12.529 -13.776 -2.595 1.00 0.00 C ATOM 462 C THR A 32 -12.753 -15.252 -2.844 1.00 0.00 C ATOM 463 O THR A 32 -13.264 -15.978 -1.992 1.00 0.00 O ATOM 464 CB THR A 32 -13.656 -12.958 -3.227 1.00 0.00 C ATOM 465 OG1 THR A 32 -13.133 -11.937 -4.058 1.00 0.00 O ATOM 466 CG2 THR A 32 -14.558 -12.300 -2.207 1.00 0.00 C ATOM 0 H THR A 32 -11.312 -12.721 -3.927 1.00 0.00 H new ATOM 0 HA THR A 32 -12.526 -13.587 -1.521 1.00 0.00 H new ATOM 0 HB THR A 32 -14.243 -13.673 -3.804 1.00 0.00 H new ATOM 0 HG1 THR A 32 -13.855 -11.331 -4.325 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.336 -11.735 -2.720 1.00 0.00 H new ATOM 0 HG22 THR A 32 -15.018 -13.065 -1.581 1.00 0.00 H new ATOM 0 HG23 THR A 32 -13.971 -11.625 -1.584 1.00 0.00 H new ATOM 474 N ASP A 33 -12.359 -15.676 -4.031 1.00 0.00 N ATOM 475 CA ASP A 33 -12.497 -17.058 -4.431 1.00 0.00 C ATOM 476 C ASP A 33 -11.380 -17.915 -3.843 1.00 0.00 C ATOM 477 O ASP A 33 -11.539 -19.122 -3.660 1.00 0.00 O ATOM 478 CB ASP A 33 -12.505 -17.176 -5.957 1.00 0.00 C ATOM 479 CG ASP A 33 -12.836 -18.580 -6.429 1.00 0.00 C ATOM 480 OD1 ASP A 33 -13.325 -19.382 -5.606 1.00 0.00 O ATOM 481 OD2 ASP A 33 -12.607 -18.875 -7.620 1.00 0.00 O ATOM 0 H ASP A 33 -11.937 -15.074 -4.738 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.448 -17.425 -4.044 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -13.233 -16.477 -6.369 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.529 -16.886 -6.346 1.00 0.00 H new ATOM 486 N GLY A 34 -10.251 -17.280 -3.550 1.00 0.00 N ATOM 487 CA GLY A 34 -9.121 -17.992 -2.985 1.00 0.00 C ATOM 488 C GLY A 34 -8.172 -18.519 -4.046 1.00 0.00 C ATOM 489 O GLY A 34 -7.545 -19.563 -3.865 1.00 0.00 O ATOM 0 H GLY A 34 -10.098 -16.282 -3.694 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.577 -17.328 -2.314 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.485 -18.825 -2.383 1.00 0.00 H new ATOM 493 N ASP A 35 -8.070 -17.798 -5.158 1.00 0.00 N ATOM 494 CA ASP A 35 -7.194 -18.202 -6.252 1.00 0.00 C ATOM 495 C ASP A 35 -5.898 -17.394 -6.257 1.00 0.00 C ATOM 496 O ASP A 35 -4.895 -17.822 -6.827 1.00 0.00 O ATOM 497 CB ASP A 35 -7.912 -18.040 -7.594 1.00 0.00 C ATOM 498 CG ASP A 35 -9.095 -18.979 -7.733 1.00 0.00 C ATOM 499 OD1 ASP A 35 -9.174 -19.954 -6.957 1.00 0.00 O ATOM 500 OD2 ASP A 35 -9.943 -18.737 -8.618 1.00 0.00 O ATOM 0 H ASP A 35 -8.582 -16.932 -5.325 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.940 -19.251 -6.102 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.254 -17.010 -7.698 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.207 -18.225 -8.405 1.00 0.00 H new ATOM 505 N LYS A 36 -5.923 -16.227 -5.623 1.00 0.00 N ATOM 506 CA LYS A 36 -4.746 -15.367 -5.562 1.00 0.00 C ATOM 507 C LYS A 36 -4.443 -14.950 -4.126 1.00 0.00 C ATOM 508 O LYS A 36 -5.350 -14.621 -3.361 1.00 0.00 O ATOM 509 CB LYS A 36 -4.952 -14.125 -6.431 1.00 0.00 C ATOM 510 CG LYS A 36 -5.484 -14.435 -7.821 1.00 0.00 C ATOM 511 CD LYS A 36 -4.709 -13.689 -8.897 1.00 0.00 C ATOM 512 CE LYS A 36 -4.770 -12.183 -8.687 1.00 0.00 C ATOM 513 NZ LYS A 36 -4.212 -11.438 -9.848 1.00 0.00 N ATOM 0 H LYS A 36 -6.743 -15.855 -5.145 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.896 -15.934 -5.941 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.645 -13.451 -5.928 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.004 -13.596 -6.524 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.421 -15.508 -8.004 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.538 -14.163 -7.877 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.669 -14.016 -8.891 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.115 -13.937 -9.877 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.805 -11.881 -8.525 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.216 -11.919 -7.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.758 -10.565 -9.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.218 -11.197 -9.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.270 -12.030 -10.701 1.00 0.00 H new ATOM 527 N VAL A 37 -3.163 -14.959 -3.770 1.00 0.00 N ATOM 528 CA VAL A 37 -2.740 -14.577 -2.428 1.00 0.00 C ATOM 529 C VAL A 37 -1.471 -13.729 -2.474 1.00 0.00 C ATOM 530 O VAL A 37 -0.509 -14.070 -3.161 1.00 0.00 O ATOM 531 CB VAL A 37 -2.491 -15.812 -1.541 1.00 0.00 C ATOM 532 CG1 VAL A 37 -2.124 -15.391 -0.125 1.00 0.00 C ATOM 533 CG2 VAL A 37 -3.714 -16.720 -1.534 1.00 0.00 C ATOM 0 H VAL A 37 -2.400 -15.227 -4.392 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.551 -13.991 -1.995 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.653 -16.371 -1.957 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.952 -16.278 0.485 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.218 -14.786 -0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.939 -14.808 0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.520 -17.587 -0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.572 -16.172 -1.144 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.927 -17.052 -2.550 1.00 0.00 H new ATOM 543 N HIS A 38 -1.479 -12.625 -1.735 1.00 0.00 N ATOM 544 CA HIS A 38 -0.331 -11.725 -1.688 1.00 0.00 C ATOM 545 C HIS A 38 -0.046 -11.273 -0.263 1.00 0.00 C ATOM 546 O HIS A 38 -0.958 -11.106 0.543 1.00 0.00 O ATOM 547 CB HIS A 38 -0.559 -10.504 -2.576 1.00 0.00 C ATOM 548 CG HIS A 38 0.684 -9.706 -2.824 1.00 0.00 C ATOM 549 ND1 HIS A 38 1.035 -8.464 -2.414 1.00 0.00 N flip ATOM 550 CD2 HIS A 38 1.741 -10.172 -3.579 1.00 0.00 C flip ATOM 551 CE1 HIS A 38 2.285 -8.207 -2.924 1.00 0.00 C flip ATOM 552 NE2 HIS A 38 2.688 -9.251 -3.621 1.00 0.00 N flip ATOM 0 H HIS A 38 -2.268 -12.331 -1.160 1.00 0.00 H new ATOM 0 HA HIS A 38 0.532 -12.278 -2.060 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.968 -10.831 -3.532 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.307 -9.862 -2.112 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.787 -11.138 -4.060 1.00 0.00 H new ATOM 0 HE1 HIS A 38 2.847 -7.296 -2.777 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.579 -9.334 -4.110 1.00 0.00 H new ATOM 561 N THR A 39 1.230 -11.077 0.038 1.00 0.00 N ATOM 562 CA THR A 39 1.647 -10.644 1.369 1.00 0.00 C ATOM 563 C THR A 39 2.546 -9.413 1.290 1.00 0.00 C ATOM 564 O THR A 39 3.413 -9.322 0.420 1.00 0.00 O ATOM 565 CB THR A 39 2.377 -11.777 2.090 1.00 0.00 C ATOM 566 OG1 THR A 39 1.577 -12.945 2.130 1.00 0.00 O ATOM 567 CG2 THR A 39 2.758 -11.434 3.514 1.00 0.00 C ATOM 0 H THR A 39 1.997 -11.211 -0.621 1.00 0.00 H new ATOM 0 HA THR A 39 0.752 -10.379 1.932 1.00 0.00 H new ATOM 0 HB THR A 39 3.289 -11.942 1.516 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.063 -13.659 2.594 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.272 -12.281 3.967 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.418 -10.566 3.515 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.859 -11.207 4.087 1.00 0.00 H new ATOM 575 N VAL A 40 2.338 -8.468 2.204 1.00 0.00 N ATOM 576 CA VAL A 40 3.133 -7.246 2.236 1.00 0.00 C ATOM 577 C VAL A 40 3.710 -6.987 3.620 1.00 0.00 C ATOM 578 O VAL A 40 3.042 -7.180 4.635 1.00 0.00 O ATOM 579 CB VAL A 40 2.316 -6.004 1.827 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.161 -4.739 1.970 1.00 0.00 C ATOM 581 CG2 VAL A 40 1.788 -6.144 0.408 1.00 0.00 C ATOM 0 H VAL A 40 1.625 -8.526 2.932 1.00 0.00 H new ATOM 0 HA VAL A 40 3.937 -7.405 1.517 1.00 0.00 H new ATOM 0 HB VAL A 40 1.459 -5.923 2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.570 -3.871 1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.478 -4.629 3.007 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.039 -4.813 1.328 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.215 -5.255 0.144 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.624 -6.255 -0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.145 -7.022 0.344 1.00 0.00 H new ATOM 591 N VAL A 41 4.945 -6.512 3.640 1.00 0.00 N ATOM 592 CA VAL A 41 5.617 -6.179 4.885 1.00 0.00 C ATOM 593 C VAL A 41 5.286 -4.737 5.265 1.00 0.00 C ATOM 594 O VAL A 41 5.587 -3.803 4.520 1.00 0.00 O ATOM 595 CB VAL A 41 7.147 -6.360 4.751 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.639 -5.746 3.452 1.00 0.00 C ATOM 597 CG2 VAL A 41 7.889 -5.789 5.959 1.00 0.00 C ATOM 0 H VAL A 41 5.505 -6.348 2.803 1.00 0.00 H new ATOM 0 HA VAL A 41 5.267 -6.853 5.667 1.00 0.00 H new ATOM 0 HB VAL A 41 7.362 -7.428 4.725 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.718 -5.881 3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.148 -6.234 2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.405 -4.682 3.441 1.00 0.00 H new ATOM 0 HG21 VAL A 41 8.961 -5.934 5.829 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.675 -4.724 6.047 1.00 0.00 H new ATOM 0 HG23 VAL A 41 7.560 -6.301 6.863 1.00 0.00 H new ATOM 607 N LEU A 42 4.641 -4.563 6.412 1.00 0.00 N ATOM 608 CA LEU A 42 4.243 -3.238 6.872 1.00 0.00 C ATOM 609 C LEU A 42 5.435 -2.422 7.370 1.00 0.00 C ATOM 610 O LEU A 42 5.439 -1.195 7.271 1.00 0.00 O ATOM 611 CB LEU A 42 3.196 -3.357 7.980 1.00 0.00 C ATOM 612 CG LEU A 42 1.912 -4.087 7.579 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.979 -4.221 8.774 1.00 0.00 C ATOM 614 CD2 LEU A 42 1.223 -3.357 6.436 1.00 0.00 C ATOM 0 H LEU A 42 4.382 -5.323 7.041 1.00 0.00 H new ATOM 0 HA LEU A 42 3.815 -2.712 6.018 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.643 -3.877 8.827 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.935 -2.356 8.322 1.00 0.00 H new ATOM 0 HG LEU A 42 2.174 -5.089 7.238 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.071 -4.742 8.470 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.476 -4.787 9.562 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.721 -3.230 9.147 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.311 -3.888 6.162 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.972 -2.344 6.750 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.891 -3.315 5.576 1.00 0.00 H new ATOM 626 N SER A 43 6.440 -3.103 7.911 1.00 0.00 N ATOM 627 CA SER A 43 7.628 -2.428 8.432 1.00 0.00 C ATOM 628 C SER A 43 8.248 -1.498 7.395 1.00 0.00 C ATOM 629 O SER A 43 8.946 -0.545 7.740 1.00 0.00 O ATOM 630 CB SER A 43 8.664 -3.454 8.896 1.00 0.00 C ATOM 631 OG SER A 43 8.694 -3.544 10.309 1.00 0.00 O ATOM 0 H SER A 43 6.458 -4.119 8.001 1.00 0.00 H new ATOM 0 HA SER A 43 7.313 -1.823 9.282 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.430 -4.430 8.471 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.650 -3.173 8.525 1.00 0.00 H new ATOM 0 HG SER A 43 9.612 -3.712 10.607 1.00 0.00 H new ATOM 637 N THR A 44 7.994 -1.783 6.125 1.00 0.00 N ATOM 638 CA THR A 44 8.532 -0.969 5.040 1.00 0.00 C ATOM 639 C THR A 44 7.552 0.122 4.636 1.00 0.00 C ATOM 640 O THR A 44 7.945 1.153 4.093 1.00 0.00 O ATOM 641 CB THR A 44 8.874 -1.839 3.823 1.00 0.00 C ATOM 642 OG1 THR A 44 7.852 -1.769 2.844 1.00 0.00 O ATOM 643 CG2 THR A 44 9.076 -3.297 4.163 1.00 0.00 C ATOM 0 H THR A 44 7.420 -2.569 5.820 1.00 0.00 H new ATOM 0 HA THR A 44 9.445 -0.498 5.404 1.00 0.00 H new ATOM 0 HB THR A 44 9.813 -1.435 3.444 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.094 -2.330 2.078 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.315 -3.852 3.256 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.896 -3.394 4.874 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.163 -3.698 4.604 1.00 0.00 H new ATOM 651 N ILE A 45 6.275 -0.114 4.900 1.00 0.00 N ATOM 652 CA ILE A 45 5.243 0.851 4.558 1.00 0.00 C ATOM 653 C ILE A 45 5.470 2.167 5.294 1.00 0.00 C ATOM 654 O ILE A 45 4.917 2.394 6.370 1.00 0.00 O ATOM 655 CB ILE A 45 3.835 0.314 4.882 1.00 0.00 C ATOM 656 CG1 ILE A 45 3.613 -1.032 4.191 1.00 0.00 C ATOM 657 CG2 ILE A 45 2.768 1.315 4.456 1.00 0.00 C ATOM 658 CD1 ILE A 45 3.626 -0.947 2.680 1.00 0.00 C ATOM 0 H ILE A 45 5.931 -0.963 5.349 1.00 0.00 H new ATOM 0 HA ILE A 45 5.306 1.024 3.484 1.00 0.00 H new ATOM 0 HB ILE A 45 3.757 0.171 5.960 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.387 -1.729 4.514 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.657 -1.444 4.515 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.781 0.918 4.693 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.918 2.255 4.987 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.841 1.489 3.383 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.463 -1.939 2.258 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.834 -0.276 2.347 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.590 -0.565 2.345 1.00 0.00 H new ATOM 670 N ASP A 46 6.300 3.023 4.710 1.00 0.00 N ATOM 671 CA ASP A 46 6.622 4.314 5.307 1.00 0.00 C ATOM 672 C ASP A 46 5.435 5.270 5.248 1.00 0.00 C ATOM 673 O ASP A 46 5.298 6.154 6.095 1.00 0.00 O ATOM 674 CB ASP A 46 7.822 4.939 4.596 1.00 0.00 C ATOM 675 CG ASP A 46 8.614 5.862 5.500 1.00 0.00 C ATOM 676 OD1 ASP A 46 8.451 5.769 6.735 1.00 0.00 O ATOM 677 OD2 ASP A 46 9.400 6.678 4.974 1.00 0.00 O ATOM 0 H ASP A 46 6.764 2.845 3.819 1.00 0.00 H new ATOM 0 HA ASP A 46 6.867 4.141 6.355 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.475 4.148 4.228 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.475 5.497 3.726 1.00 0.00 H new ATOM 682 N LYS A 47 4.585 5.105 4.239 1.00 0.00 N ATOM 683 CA LYS A 47 3.426 5.973 4.077 1.00 0.00 C ATOM 684 C LYS A 47 2.190 5.192 3.651 1.00 0.00 C ATOM 685 O LYS A 47 2.282 4.214 2.910 1.00 0.00 O ATOM 686 CB LYS A 47 3.732 7.058 3.044 1.00 0.00 C ATOM 687 CG LYS A 47 4.538 8.215 3.601 1.00 0.00 C ATOM 688 CD LYS A 47 3.729 9.037 4.591 1.00 0.00 C ATOM 689 CE LYS A 47 3.227 10.328 3.966 1.00 0.00 C ATOM 690 NZ LYS A 47 2.249 11.027 4.843 1.00 0.00 N ATOM 0 H LYS A 47 4.677 4.382 3.525 1.00 0.00 H new ATOM 0 HA LYS A 47 3.215 6.430 5.044 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.278 6.613 2.212 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.794 7.440 2.641 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.433 7.832 4.091 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.871 8.854 2.783 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.882 8.450 4.946 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.343 9.268 5.461 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.072 10.987 3.767 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.761 10.109 3.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.931 11.902 4.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.430 10.408 5.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.701 11.260 5.750 1.00 0.00 H new ATOM 704 N LEU A 48 1.031 5.645 4.116 1.00 0.00 N ATOM 705 CA LEU A 48 -0.232 5.016 3.781 1.00 0.00 C ATOM 706 C LEU A 48 -1.197 6.061 3.223 1.00 0.00 C ATOM 707 O LEU A 48 -1.427 7.099 3.843 1.00 0.00 O ATOM 708 CB LEU A 48 -0.808 4.304 5.015 1.00 0.00 C ATOM 709 CG LEU A 48 -2.215 4.724 5.427 1.00 0.00 C ATOM 710 CD1 LEU A 48 -3.257 3.987 4.602 1.00 0.00 C ATOM 711 CD2 LEU A 48 -2.434 4.482 6.913 1.00 0.00 C ATOM 0 H LEU A 48 0.945 6.454 4.732 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.076 4.262 3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.811 3.231 4.824 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.137 4.476 5.856 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.323 5.792 5.237 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.254 4.301 4.911 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.115 4.218 3.546 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.150 2.913 4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.444 4.788 7.187 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.304 3.422 7.132 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.711 5.062 7.487 1.00 0.00 H new ATOM 723 N GLN A 49 -1.742 5.794 2.042 1.00 0.00 N ATOM 724 CA GLN A 49 -2.665 6.724 1.402 1.00 0.00 C ATOM 725 C GLN A 49 -4.026 6.081 1.174 1.00 0.00 C ATOM 726 O GLN A 49 -4.129 4.871 0.970 1.00 0.00 O ATOM 727 CB GLN A 49 -2.088 7.210 0.072 1.00 0.00 C ATOM 728 CG GLN A 49 -0.809 8.017 0.221 1.00 0.00 C ATOM 729 CD GLN A 49 -0.245 8.468 -1.113 1.00 0.00 C ATOM 730 OE1 GLN A 49 -0.657 7.988 -2.168 1.00 0.00 O ATOM 731 NE2 GLN A 49 0.703 9.397 -1.070 1.00 0.00 N ATOM 0 H GLN A 49 -1.561 4.943 1.509 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.799 7.576 2.069 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.891 6.348 -0.566 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.835 7.819 -0.437 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.005 8.891 0.842 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.063 7.416 0.742 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.014 9.767 -0.172 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.120 9.741 -1.935 1.00 0.00 H new ATOM 740 N ALA A 50 -5.069 6.902 1.208 1.00 0.00 N ATOM 741 CA ALA A 50 -6.429 6.423 1.004 1.00 0.00 C ATOM 742 C ALA A 50 -7.286 7.487 0.329 1.00 0.00 C ATOM 743 O ALA A 50 -7.101 8.681 0.556 1.00 0.00 O ATOM 744 CB ALA A 50 -7.045 6.009 2.331 1.00 0.00 C ATOM 0 H ALA A 50 -4.997 7.906 1.376 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.390 5.554 0.348 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.062 5.653 2.165 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.449 5.212 2.776 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.066 6.865 3.005 1.00 0.00 H new ATOM 750 N THR A 51 -8.228 7.046 -0.497 1.00 0.00 N ATOM 751 CA THR A 51 -9.114 7.967 -1.200 1.00 0.00 C ATOM 752 C THR A 51 -10.176 8.515 -0.246 1.00 0.00 C ATOM 753 O THR A 51 -10.924 7.751 0.364 1.00 0.00 O ATOM 754 CB THR A 51 -9.783 7.265 -2.384 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.647 6.236 -1.936 1.00 0.00 O ATOM 756 CG2 THR A 51 -8.792 6.644 -3.348 1.00 0.00 C ATOM 0 H THR A 51 -8.398 6.060 -0.696 1.00 0.00 H new ATOM 0 HA THR A 51 -8.519 8.798 -1.577 1.00 0.00 H new ATOM 0 HB THR A 51 -10.337 8.045 -2.907 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.492 6.280 -2.431 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.331 6.163 -4.164 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.141 7.420 -3.751 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.190 5.902 -2.823 1.00 0.00 H new ATOM 764 N PRO A 52 -10.257 9.852 -0.099 1.00 0.00 N ATOM 765 CA PRO A 52 -11.231 10.492 0.794 1.00 0.00 C ATOM 766 C PRO A 52 -12.674 10.194 0.397 1.00 0.00 C ATOM 767 O PRO A 52 -12.950 9.807 -0.738 1.00 0.00 O ATOM 768 CB PRO A 52 -10.936 11.990 0.649 1.00 0.00 C ATOM 769 CG PRO A 52 -10.187 12.117 -0.633 1.00 0.00 C ATOM 770 CD PRO A 52 -9.407 10.843 -0.780 1.00 0.00 C ATOM 0 HA PRO A 52 -11.136 10.125 1.816 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.857 12.573 0.627 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.346 12.358 1.488 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.869 12.257 -1.472 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.523 12.982 -0.614 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.248 10.586 -1.827 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.423 10.917 -0.317 1.00 0.00 H new ATOM 778 N ALA A 53 -13.589 10.377 1.345 1.00 0.00 N ATOM 779 CA ALA A 53 -15.005 10.129 1.100 1.00 0.00 C ATOM 780 C ALA A 53 -15.529 11.009 -0.029 1.00 0.00 C ATOM 781 O ALA A 53 -16.279 10.550 -0.891 1.00 0.00 O ATOM 782 CB ALA A 53 -15.809 10.361 2.371 1.00 0.00 C ATOM 0 H ALA A 53 -13.374 10.696 2.290 1.00 0.00 H new ATOM 0 HA ALA A 53 -15.119 9.088 0.796 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -16.864 10.172 2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -15.459 9.685 3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -15.680 11.392 2.700 1.00 0.00 H new ATOM 788 N SER A 54 -15.129 12.278 -0.020 1.00 0.00 N ATOM 789 CA SER A 54 -15.558 13.221 -1.048 1.00 0.00 C ATOM 790 C SER A 54 -15.163 12.727 -2.433 1.00 0.00 C ATOM 791 O SER A 54 -15.804 13.056 -3.431 1.00 0.00 O ATOM 792 CB SER A 54 -14.955 14.601 -0.790 1.00 0.00 C ATOM 793 OG SER A 54 -13.550 14.588 -0.978 1.00 0.00 O ATOM 0 H SER A 54 -14.510 12.676 0.686 1.00 0.00 H new ATOM 0 HA SER A 54 -16.644 13.298 -1.006 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.408 15.330 -1.462 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.186 14.918 0.227 1.00 0.00 H new ATOM 0 HG SER A 54 -13.189 15.483 -0.808 1.00 0.00 H new ATOM 799 N SER A 55 -14.101 11.933 -2.482 1.00 0.00 N ATOM 800 CA SER A 55 -13.610 11.382 -3.732 1.00 0.00 C ATOM 801 C SER A 55 -14.342 10.097 -4.081 1.00 0.00 C ATOM 802 O SER A 55 -14.276 9.113 -3.346 1.00 0.00 O ATOM 803 CB SER A 55 -12.106 11.120 -3.641 1.00 0.00 C ATOM 804 OG SER A 55 -11.572 10.766 -4.905 1.00 0.00 O ATOM 0 H SER A 55 -13.562 11.656 -1.662 1.00 0.00 H new ATOM 0 HA SER A 55 -13.797 12.110 -4.521 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.601 12.010 -3.266 1.00 0.00 H new ATOM 0 HB3 SER A 55 -11.916 10.320 -2.926 1.00 0.00 H new ATOM 0 HG SER A 55 -10.609 10.605 -4.820 1.00 0.00 H new ATOM 810 N GLU A 56 -15.031 10.109 -5.218 1.00 0.00 N ATOM 811 CA GLU A 56 -15.765 8.936 -5.673 1.00 0.00 C ATOM 812 C GLU A 56 -14.832 7.734 -5.794 1.00 0.00 C ATOM 813 O GLU A 56 -15.280 6.588 -5.830 1.00 0.00 O ATOM 814 CB GLU A 56 -16.430 9.215 -7.020 1.00 0.00 C ATOM 815 CG GLU A 56 -17.471 10.324 -6.966 1.00 0.00 C ATOM 816 CD GLU A 56 -18.165 10.539 -8.298 1.00 0.00 C ATOM 817 OE1 GLU A 56 -17.684 9.994 -9.314 1.00 0.00 O ATOM 818 OE2 GLU A 56 -19.191 11.251 -8.324 1.00 0.00 O ATOM 0 H GLU A 56 -15.096 10.916 -5.839 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.536 8.709 -4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.663 9.483 -7.746 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.903 8.301 -7.379 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.216 10.082 -6.208 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -16.991 11.253 -6.656 1.00 0.00 H new ATOM 825 N LYS A 57 -13.531 8.007 -5.856 1.00 0.00 N ATOM 826 CA LYS A 57 -12.535 6.950 -5.971 1.00 0.00 C ATOM 827 C LYS A 57 -12.549 6.051 -4.739 1.00 0.00 C ATOM 828 O LYS A 57 -12.820 6.505 -3.628 1.00 0.00 O ATOM 829 CB LYS A 57 -11.141 7.551 -6.164 1.00 0.00 C ATOM 830 CG LYS A 57 -11.078 8.601 -7.262 1.00 0.00 C ATOM 831 CD LYS A 57 -11.579 8.052 -8.588 1.00 0.00 C ATOM 832 CE LYS A 57 -11.331 9.029 -9.725 1.00 0.00 C ATOM 833 NZ LYS A 57 -11.645 8.430 -11.052 1.00 0.00 N ATOM 0 H LYS A 57 -13.144 8.950 -5.828 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.785 6.344 -6.842 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.814 7.999 -5.225 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.438 6.751 -6.397 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.677 9.465 -6.975 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.051 8.949 -7.376 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.080 7.107 -8.804 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.646 7.840 -8.515 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.940 9.921 -9.576 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -10.289 9.348 -9.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.462 9.129 -11.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.046 7.594 -11.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.646 8.149 -11.078 1.00 0.00 H new ATOM 847 N MET A 58 -12.256 4.771 -4.948 1.00 0.00 N ATOM 848 CA MET A 58 -12.236 3.799 -3.860 1.00 0.00 C ATOM 849 C MET A 58 -10.982 2.933 -3.937 1.00 0.00 C ATOM 850 O MET A 58 -11.007 1.844 -4.513 1.00 0.00 O ATOM 851 CB MET A 58 -13.481 2.912 -3.926 1.00 0.00 C ATOM 852 CG MET A 58 -14.776 3.690 -4.093 1.00 0.00 C ATOM 853 SD MET A 58 -15.516 4.151 -2.518 1.00 0.00 S ATOM 854 CE MET A 58 -15.698 2.544 -1.752 1.00 0.00 C ATOM 0 H MET A 58 -12.029 4.382 -5.863 1.00 0.00 H new ATOM 0 HA MET A 58 -12.230 4.341 -2.914 1.00 0.00 H new ATOM 0 HB2 MET A 58 -13.376 2.215 -4.757 1.00 0.00 H new ATOM 0 HB3 MET A 58 -13.540 2.316 -3.016 1.00 0.00 H new ATOM 0 HG2 MET A 58 -14.582 4.590 -4.676 1.00 0.00 H new ATOM 0 HG3 MET A 58 -15.486 3.089 -4.661 1.00 0.00 H new ATOM 0 HE1 MET A 58 -16.256 2.646 -0.821 1.00 0.00 H new ATOM 0 HE2 MET A 58 -16.236 1.878 -2.427 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.713 2.128 -1.541 1.00 0.00 H new ATOM 864 N MET A 59 -9.882 3.421 -3.369 1.00 0.00 N ATOM 865 CA MET A 59 -8.627 2.677 -3.397 1.00 0.00 C ATOM 866 C MET A 59 -7.712 3.055 -2.235 1.00 0.00 C ATOM 867 O MET A 59 -7.918 4.066 -1.563 1.00 0.00 O ATOM 868 CB MET A 59 -7.904 2.922 -4.722 1.00 0.00 C ATOM 869 CG MET A 59 -8.696 2.480 -5.941 1.00 0.00 C ATOM 870 SD MET A 59 -7.779 2.693 -7.477 1.00 0.00 S ATOM 871 CE MET A 59 -7.102 4.334 -7.233 1.00 0.00 C ATOM 0 H MET A 59 -9.834 4.319 -2.888 1.00 0.00 H new ATOM 0 HA MET A 59 -8.871 1.619 -3.298 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.679 3.985 -4.812 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.950 2.394 -4.708 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.972 1.432 -5.830 1.00 0.00 H new ATOM 0 HG3 MET A 59 -9.623 3.050 -5.994 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.753 4.729 -8.187 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.874 4.990 -6.829 1.00 0.00 H new ATOM 0 HE3 MET A 59 -6.267 4.283 -6.534 1.00 0.00 H new ATOM 881 N LEU A 60 -6.692 2.229 -2.018 1.00 0.00 N ATOM 882 CA LEU A 60 -5.720 2.449 -0.953 1.00 0.00 C ATOM 883 C LEU A 60 -4.305 2.256 -1.490 1.00 0.00 C ATOM 884 O LEU A 60 -3.999 1.227 -2.095 1.00 0.00 O ATOM 885 CB LEU A 60 -5.974 1.480 0.204 1.00 0.00 C ATOM 886 CG LEU A 60 -5.252 1.819 1.509 1.00 0.00 C ATOM 887 CD1 LEU A 60 -6.171 2.596 2.439 1.00 0.00 C ATOM 888 CD2 LEU A 60 -4.757 0.551 2.188 1.00 0.00 C ATOM 0 H LEU A 60 -6.517 1.392 -2.574 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.827 3.470 -0.587 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.046 1.446 0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.675 0.480 -0.109 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.390 2.444 1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.641 2.829 3.363 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.480 3.522 1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.051 1.994 2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.246 0.811 3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.605 -0.097 2.410 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.066 0.030 1.526 1.00 0.00 H new ATOM 900 N ARG A 61 -3.445 3.249 -1.284 1.00 0.00 N ATOM 901 CA ARG A 61 -2.069 3.173 -1.770 1.00 0.00 C ATOM 902 C ARG A 61 -1.059 3.195 -0.625 1.00 0.00 C ATOM 903 O ARG A 61 -1.081 4.089 0.221 1.00 0.00 O ATOM 904 CB ARG A 61 -1.786 4.329 -2.732 1.00 0.00 C ATOM 905 CG ARG A 61 -0.405 4.270 -3.364 1.00 0.00 C ATOM 906 CD ARG A 61 -0.142 5.483 -4.241 1.00 0.00 C ATOM 907 NE ARG A 61 1.116 5.365 -4.973 1.00 0.00 N ATOM 908 CZ ARG A 61 1.564 6.279 -5.832 1.00 0.00 C ATOM 909 NH1 ARG A 61 0.859 7.379 -6.068 1.00 0.00 N ATOM 910 NH2 ARG A 61 2.718 6.094 -6.456 1.00 0.00 N ATOM 0 H ARG A 61 -3.673 4.110 -0.788 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.959 2.224 -2.294 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.538 4.326 -3.521 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.891 5.272 -2.195 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.352 4.214 -2.582 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.315 3.362 -3.960 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.963 5.604 -4.948 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.119 6.380 -3.622 1.00 0.00 H new ATOM 0 HE ARG A 61 1.685 4.533 -4.817 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.030 7.527 -5.591 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.206 8.076 -6.727 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.264 5.251 -6.279 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.060 6.795 -7.114 1.00 0.00 H new ATOM 924 N LEU A 62 -0.166 2.207 -0.615 1.00 0.00 N ATOM 925 CA LEU A 62 0.866 2.106 0.412 1.00 0.00 C ATOM 926 C LEU A 62 2.227 2.489 -0.166 1.00 0.00 C ATOM 927 O LEU A 62 2.520 2.193 -1.323 1.00 0.00 O ATOM 928 CB LEU A 62 0.929 0.678 0.968 1.00 0.00 C ATOM 929 CG LEU A 62 -0.248 0.241 1.853 1.00 0.00 C ATOM 930 CD1 LEU A 62 -1.493 1.076 1.580 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.545 -1.236 1.639 1.00 0.00 C ATOM 0 H LEU A 62 -0.138 1.462 -1.311 1.00 0.00 H new ATOM 0 HA LEU A 62 0.613 2.792 1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.001 -0.013 0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.848 0.576 1.545 1.00 0.00 H new ATOM 0 HG LEU A 62 0.037 0.401 2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.305 0.739 2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.279 2.125 1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.786 0.962 0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.381 -1.534 2.272 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.801 -1.408 0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.335 -1.825 1.898 1.00 0.00 H new ATOM 943 N ILE A 63 3.056 3.143 0.642 1.00 0.00 N ATOM 944 CA ILE A 63 4.382 3.555 0.194 1.00 0.00 C ATOM 945 C ILE A 63 5.473 2.768 0.906 1.00 0.00 C ATOM 946 O ILE A 63 5.523 2.730 2.134 1.00 0.00 O ATOM 947 CB ILE A 63 4.640 5.058 0.423 1.00 0.00 C ATOM 948 CG1 ILE A 63 3.335 5.857 0.368 1.00 0.00 C ATOM 949 CG2 ILE A 63 5.634 5.577 -0.603 1.00 0.00 C ATOM 950 CD1 ILE A 63 2.632 5.792 -0.961 1.00 0.00 C ATOM 0 H ILE A 63 2.835 3.398 1.605 1.00 0.00 H new ATOM 0 HA ILE A 63 4.411 3.352 -0.877 1.00 0.00 H new ATOM 0 HB ILE A 63 5.064 5.187 1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.662 5.487 1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.549 6.900 0.603 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.810 6.639 -0.434 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.574 5.033 -0.507 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.232 5.431 -1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.717 6.383 -0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.285 6.190 -1.738 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.384 4.756 -1.191 1.00 0.00 H new ATOM 962 N GLY A 64 6.354 2.151 0.127 1.00 0.00 N ATOM 963 CA GLY A 64 7.440 1.383 0.700 1.00 0.00 C ATOM 964 C GLY A 64 8.687 2.219 0.904 1.00 0.00 C ATOM 965 O GLY A 64 9.111 2.940 0.000 1.00 0.00 O ATOM 0 H GLY A 64 6.334 2.170 -0.893 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.123 0.967 1.656 1.00 0.00 H new ATOM 0 HA3 GLY A 64 7.672 0.541 0.047 1.00 0.00 H new ATOM 969 N LYS A 65 9.274 2.126 2.094 1.00 0.00 N ATOM 970 CA LYS A 65 10.483 2.882 2.424 1.00 0.00 C ATOM 971 C LYS A 65 11.496 2.831 1.283 1.00 0.00 C ATOM 972 O LYS A 65 11.708 1.782 0.673 1.00 0.00 O ATOM 973 CB LYS A 65 11.117 2.336 3.706 1.00 0.00 C ATOM 974 CG LYS A 65 10.464 2.856 4.974 1.00 0.00 C ATOM 975 CD LYS A 65 11.170 2.342 6.217 1.00 0.00 C ATOM 976 CE LYS A 65 10.466 2.796 7.486 1.00 0.00 C ATOM 977 NZ LYS A 65 11.433 3.170 8.554 1.00 0.00 N ATOM 0 H LYS A 65 8.932 1.533 2.850 1.00 0.00 H new ATOM 0 HA LYS A 65 10.194 3.922 2.579 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.057 1.248 3.696 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.175 2.597 3.718 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.478 3.946 4.971 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.418 2.551 4.997 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.208 1.253 6.191 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.200 2.697 6.224 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.826 3.649 7.261 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.818 1.998 7.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.913 3.474 9.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.027 2.349 8.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.035 3.949 8.220 1.00 0.00 H new ATOM 991 N VAL A 66 12.115 3.972 0.998 1.00 0.00 N ATOM 992 CA VAL A 66 13.102 4.060 -0.073 1.00 0.00 C ATOM 993 C VAL A 66 14.518 3.857 0.467 1.00 0.00 C ATOM 994 O VAL A 66 14.709 3.342 1.570 1.00 0.00 O ATOM 995 CB VAL A 66 13.003 5.419 -0.810 1.00 0.00 C ATOM 996 CG1 VAL A 66 13.801 6.503 -0.096 1.00 0.00 C ATOM 997 CG2 VAL A 66 13.445 5.284 -2.263 1.00 0.00 C ATOM 0 H VAL A 66 11.951 4.848 1.493 1.00 0.00 H new ATOM 0 HA VAL A 66 12.886 3.263 -0.785 1.00 0.00 H new ATOM 0 HB VAL A 66 11.956 5.722 -0.800 1.00 0.00 H new ATOM 0 HG11 VAL A 66 13.708 7.442 -0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 66 13.416 6.631 0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 66 14.850 6.212 -0.051 1.00 0.00 H new ATOM 0 HG21 VAL A 66 13.366 6.252 -2.759 1.00 0.00 H new ATOM 0 HG22 VAL A 66 14.479 4.941 -2.298 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.806 4.562 -2.772 1.00 0.00 H new ATOM 1007 N ASP A 67 15.503 4.267 -0.321 1.00 0.00 N ATOM 1008 CA ASP A 67 16.904 4.143 0.058 1.00 0.00 C ATOM 1009 C ASP A 67 17.775 4.966 -0.882 1.00 0.00 C ATOM 1010 O ASP A 67 18.472 4.423 -1.739 1.00 0.00 O ATOM 1011 CB ASP A 67 17.336 2.675 0.027 1.00 0.00 C ATOM 1012 CG ASP A 67 18.749 2.478 0.543 1.00 0.00 C ATOM 1013 OD1 ASP A 67 19.289 3.412 1.174 1.00 0.00 O ATOM 1014 OD2 ASP A 67 19.317 1.389 0.317 1.00 0.00 O ATOM 0 H ASP A 67 15.355 4.693 -1.236 1.00 0.00 H new ATOM 0 HA ASP A 67 17.026 4.520 1.073 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.646 2.083 0.629 1.00 0.00 H new ATOM 0 HB3 ASP A 67 17.269 2.301 -0.995 1.00 0.00 H new ATOM 1019 N GLU A 68 17.721 6.285 -0.722 1.00 0.00 N ATOM 1020 CA GLU A 68 18.495 7.193 -1.562 1.00 0.00 C ATOM 1021 C GLU A 68 19.981 6.850 -1.532 1.00 0.00 C ATOM 1022 O GLU A 68 20.726 7.205 -2.446 1.00 0.00 O ATOM 1023 CB GLU A 68 18.282 8.641 -1.117 1.00 0.00 C ATOM 1024 CG GLU A 68 16.823 9.067 -1.106 1.00 0.00 C ATOM 1025 CD GLU A 68 16.646 10.536 -0.776 1.00 0.00 C ATOM 1026 OE1 GLU A 68 17.625 11.168 -0.328 1.00 0.00 O ATOM 1027 OE2 GLU A 68 15.525 11.054 -0.966 1.00 0.00 O ATOM 0 H GLU A 68 17.148 6.749 -0.017 1.00 0.00 H new ATOM 0 HA GLU A 68 18.143 7.078 -2.587 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.697 8.770 -0.117 1.00 0.00 H new ATOM 0 HB3 GLU A 68 18.840 9.302 -1.781 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.381 8.862 -2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 68 16.279 8.467 -0.377 1.00 0.00 H new ATOM 1034 N SER A 69 20.404 6.156 -0.483 1.00 0.00 N ATOM 1035 CA SER A 69 21.801 5.761 -0.342 1.00 0.00 C ATOM 1036 C SER A 69 22.266 4.939 -1.543 1.00 0.00 C ATOM 1037 O SER A 69 23.464 4.809 -1.790 1.00 0.00 O ATOM 1038 CB SER A 69 21.999 4.961 0.946 1.00 0.00 C ATOM 1039 OG SER A 69 21.565 5.697 2.077 1.00 0.00 O ATOM 0 H SER A 69 19.801 5.855 0.282 1.00 0.00 H new ATOM 0 HA SER A 69 22.403 6.669 -0.296 1.00 0.00 H new ATOM 0 HB2 SER A 69 21.446 4.024 0.884 1.00 0.00 H new ATOM 0 HB3 SER A 69 23.052 4.703 1.059 1.00 0.00 H new ATOM 0 HG SER A 69 21.701 5.162 2.887 1.00 0.00 H new ATOM 1045 N LYS A 70 21.311 4.388 -2.287 1.00 0.00 N ATOM 1046 CA LYS A 70 21.629 3.580 -3.460 1.00 0.00 C ATOM 1047 C LYS A 70 22.392 4.398 -4.496 1.00 0.00 C ATOM 1048 O LYS A 70 23.479 4.014 -4.929 1.00 0.00 O ATOM 1049 CB LYS A 70 20.350 3.015 -4.080 1.00 0.00 C ATOM 1050 CG LYS A 70 19.617 2.036 -3.178 1.00 0.00 C ATOM 1051 CD LYS A 70 20.390 0.736 -3.023 1.00 0.00 C ATOM 1052 CE LYS A 70 21.352 0.793 -1.845 1.00 0.00 C ATOM 1053 NZ LYS A 70 22.766 0.611 -2.273 1.00 0.00 N ATOM 0 H LYS A 70 20.313 4.486 -2.099 1.00 0.00 H new ATOM 0 HA LYS A 70 22.263 2.754 -3.138 1.00 0.00 H new ATOM 0 HB2 LYS A 70 19.681 3.839 -4.327 1.00 0.00 H new ATOM 0 HB3 LYS A 70 20.600 2.516 -5.016 1.00 0.00 H new ATOM 0 HG2 LYS A 70 19.463 2.488 -2.198 1.00 0.00 H new ATOM 0 HG3 LYS A 70 18.630 1.827 -3.592 1.00 0.00 H new ATOM 0 HD2 LYS A 70 19.691 -0.089 -2.883 1.00 0.00 H new ATOM 0 HD3 LYS A 70 20.946 0.531 -3.938 1.00 0.00 H new ATOM 0 HE2 LYS A 70 21.247 1.752 -1.337 1.00 0.00 H new ATOM 0 HE3 LYS A 70 21.089 0.019 -1.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 23.059 -0.371 -2.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 22.851 0.818 -3.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 23.377 1.259 -1.736 1.00 0.00 H new ATOM 1067 N LYS A 71 21.817 5.531 -4.891 1.00 0.00 N ATOM 1068 CA LYS A 71 22.445 6.403 -5.876 1.00 0.00 C ATOM 1069 C LYS A 71 22.632 5.676 -7.203 1.00 0.00 C ATOM 1070 O LYS A 71 23.633 4.990 -7.411 1.00 0.00 O ATOM 1071 CB LYS A 71 23.794 6.905 -5.359 1.00 0.00 C ATOM 1072 CG LYS A 71 23.679 8.104 -4.433 1.00 0.00 C ATOM 1073 CD LYS A 71 23.805 9.412 -5.196 1.00 0.00 C ATOM 1074 CE LYS A 71 23.892 10.601 -4.252 1.00 0.00 C ATOM 1075 NZ LYS A 71 24.220 11.861 -4.975 1.00 0.00 N ATOM 0 H LYS A 71 20.918 5.865 -4.544 1.00 0.00 H new ATOM 0 HA LYS A 71 21.788 7.257 -6.040 1.00 0.00 H new ATOM 0 HB2 LYS A 71 24.296 6.095 -4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 71 24.424 7.171 -6.208 1.00 0.00 H new ATOM 0 HG2 LYS A 71 22.720 8.075 -3.916 1.00 0.00 H new ATOM 0 HG3 LYS A 71 24.455 8.051 -3.669 1.00 0.00 H new ATOM 0 HD2 LYS A 71 24.693 9.382 -5.828 1.00 0.00 H new ATOM 0 HD3 LYS A 71 22.947 9.533 -5.857 1.00 0.00 H new ATOM 0 HE2 LYS A 71 22.943 10.719 -3.729 1.00 0.00 H new ATOM 0 HE3 LYS A 71 24.652 10.409 -3.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 24.891 12.421 -4.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 24.648 11.632 -5.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 23.351 12.412 -5.125 1.00 0.00 H new ATOM 1089 N ARG A 72 21.661 5.832 -8.096 1.00 0.00 N ATOM 1090 CA ARG A 72 21.716 5.191 -9.405 1.00 0.00 C ATOM 1091 C ARG A 72 21.907 6.226 -10.508 1.00 0.00 C ATOM 1092 O ARG A 72 21.374 7.334 -10.432 1.00 0.00 O ATOM 1093 CB ARG A 72 20.438 4.389 -9.657 1.00 0.00 C ATOM 1094 CG ARG A 72 20.249 3.230 -8.691 1.00 0.00 C ATOM 1095 CD ARG A 72 19.791 1.973 -9.413 1.00 0.00 C ATOM 1096 NE ARG A 72 19.317 0.951 -8.482 1.00 0.00 N ATOM 1097 CZ ARG A 72 18.559 -0.083 -8.841 1.00 0.00 C ATOM 1098 NH1 ARG A 72 18.186 -0.236 -10.106 1.00 0.00 N ATOM 1099 NH2 ARG A 72 18.172 -0.968 -7.933 1.00 0.00 N ATOM 0 H ARG A 72 20.826 6.397 -7.938 1.00 0.00 H new ATOM 0 HA ARG A 72 22.569 4.513 -9.416 1.00 0.00 H new ATOM 0 HB2 ARG A 72 19.579 5.056 -9.584 1.00 0.00 H new ATOM 0 HB3 ARG A 72 20.456 4.003 -10.676 1.00 0.00 H new ATOM 0 HG2 ARG A 72 21.186 3.031 -8.171 1.00 0.00 H new ATOM 0 HG3 ARG A 72 19.515 3.503 -7.932 1.00 0.00 H new ATOM 0 HD2 ARG A 72 18.993 2.226 -10.111 1.00 0.00 H new ATOM 0 HD3 ARG A 72 20.616 1.572 -10.003 1.00 0.00 H new ATOM 0 HE ARG A 72 19.582 1.035 -7.501 1.00 0.00 H new ATOM 0 HH11 ARG A 72 18.480 0.441 -10.810 1.00 0.00 H new ATOM 0 HH12 ARG A 72 17.605 -1.031 -10.374 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.455 -0.857 -6.959 1.00 0.00 H new ATOM 0 HH22 ARG A 72 17.591 -1.760 -8.208 1.00 0.00 H new ATOM 1113 N LYS A 73 22.671 5.860 -11.531 1.00 0.00 N ATOM 1114 CA LYS A 73 22.932 6.761 -12.648 1.00 0.00 C ATOM 1115 C LYS A 73 22.017 6.455 -13.827 1.00 0.00 C ATOM 1116 O LYS A 73 21.676 5.298 -14.078 1.00 0.00 O ATOM 1117 CB LYS A 73 24.395 6.659 -13.084 1.00 0.00 C ATOM 1118 CG LYS A 73 25.381 7.052 -11.996 1.00 0.00 C ATOM 1119 CD LYS A 73 26.294 8.181 -12.451 1.00 0.00 C ATOM 1120 CE LYS A 73 27.627 8.150 -11.720 1.00 0.00 C ATOM 1121 NZ LYS A 73 28.696 7.516 -12.539 1.00 0.00 N ATOM 0 H LYS A 73 23.120 4.948 -11.610 1.00 0.00 H new ATOM 0 HA LYS A 73 22.729 7.778 -12.311 1.00 0.00 H new ATOM 0 HB2 LYS A 73 24.602 5.636 -13.398 1.00 0.00 H new ATOM 0 HB3 LYS A 73 24.552 7.297 -13.953 1.00 0.00 H new ATOM 0 HG2 LYS A 73 24.836 7.361 -11.104 1.00 0.00 H new ATOM 0 HG3 LYS A 73 25.982 6.186 -11.718 1.00 0.00 H new ATOM 0 HD2 LYS A 73 26.465 8.102 -13.525 1.00 0.00 H new ATOM 0 HD3 LYS A 73 25.804 9.139 -12.276 1.00 0.00 H new ATOM 0 HE2 LYS A 73 27.923 9.167 -11.462 1.00 0.00 H new ATOM 0 HE3 LYS A 73 27.515 7.603 -10.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 29.588 7.515 -12.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 28.426 6.537 -12.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 28.822 8.052 -13.421 1.00 0.00 H new ATOM 1135 N ASP A 74 21.622 7.500 -14.544 1.00 0.00 N ATOM 1136 CA ASP A 74 20.745 7.352 -15.700 1.00 0.00 C ATOM 1137 C ASP A 74 21.554 7.090 -16.967 1.00 0.00 C ATOM 1138 O ASP A 74 22.785 7.112 -16.945 1.00 0.00 O ATOM 1139 CB ASP A 74 19.886 8.605 -15.878 1.00 0.00 C ATOM 1140 CG ASP A 74 18.544 8.303 -16.515 1.00 0.00 C ATOM 1141 OD1 ASP A 74 18.138 7.121 -16.512 1.00 0.00 O ATOM 1142 OD2 ASP A 74 17.898 9.247 -17.015 1.00 0.00 O ATOM 0 H ASP A 74 21.896 8.462 -14.345 1.00 0.00 H new ATOM 0 HA ASP A 74 20.094 6.496 -15.524 1.00 0.00 H new ATOM 0 HB2 ASP A 74 19.726 9.073 -14.907 1.00 0.00 H new ATOM 0 HB3 ASP A 74 20.423 9.325 -16.495 1.00 0.00 H new ATOM 1147 N ASN A 75 20.855 6.841 -18.069 1.00 0.00 N ATOM 1148 CA ASN A 75 21.506 6.573 -19.347 1.00 0.00 C ATOM 1149 C ASN A 75 22.288 7.788 -19.839 1.00 0.00 C ATOM 1150 O ASN A 75 23.171 7.664 -20.686 1.00 0.00 O ATOM 1151 CB ASN A 75 20.469 6.161 -20.393 1.00 0.00 C ATOM 1152 CG ASN A 75 21.108 5.674 -21.679 1.00 0.00 C ATOM 1153 OD1 ASN A 75 21.115 6.379 -22.688 1.00 0.00 O ATOM 1154 ND2 ASN A 75 21.648 4.462 -21.649 1.00 0.00 N ATOM 0 H ASN A 75 19.836 6.819 -18.103 1.00 0.00 H new ATOM 0 HA ASN A 75 22.211 5.755 -19.197 1.00 0.00 H new ATOM 0 HB2 ASN A 75 19.837 5.373 -19.983 1.00 0.00 H new ATOM 0 HB3 ASN A 75 19.820 7.009 -20.611 1.00 0.00 H new ATOM 0 HD21 ASN A 75 22.092 4.081 -22.485 1.00 0.00 H new ATOM 0 HD22 ASN A 75 21.619 3.912 -20.790 1.00 0.00 H new ATOM 1161 N GLU A 76 21.957 8.961 -19.309 1.00 0.00 N ATOM 1162 CA GLU A 76 22.632 10.193 -19.701 1.00 0.00 C ATOM 1163 C GLU A 76 23.891 10.433 -18.870 1.00 0.00 C ATOM 1164 O GLU A 76 24.527 11.480 -18.981 1.00 0.00 O ATOM 1165 CB GLU A 76 21.682 11.383 -19.559 1.00 0.00 C ATOM 1166 CG GLU A 76 20.525 11.360 -20.547 1.00 0.00 C ATOM 1167 CD GLU A 76 19.413 10.423 -20.120 1.00 0.00 C ATOM 1168 OE1 GLU A 76 19.363 10.065 -18.924 1.00 0.00 O ATOM 1169 OE2 GLU A 76 18.589 10.048 -20.981 1.00 0.00 O ATOM 0 H GLU A 76 21.226 9.084 -18.608 1.00 0.00 H new ATOM 0 HA GLU A 76 22.931 10.089 -20.744 1.00 0.00 H new ATOM 0 HB2 GLU A 76 21.283 11.399 -18.545 1.00 0.00 H new ATOM 0 HB3 GLU A 76 22.246 12.306 -19.694 1.00 0.00 H new ATOM 0 HG2 GLU A 76 20.124 12.368 -20.655 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.894 11.057 -21.527 1.00 0.00 H new ATOM 1176 N GLY A 77 24.252 9.458 -18.037 1.00 0.00 N ATOM 1177 CA GLY A 77 25.434 9.593 -17.207 1.00 0.00 C ATOM 1178 C GLY A 77 25.206 10.486 -16.001 1.00 0.00 C ATOM 1179 O GLY A 77 26.161 10.916 -15.354 1.00 0.00 O ATOM 0 H GLY A 77 23.747 8.579 -17.924 1.00 0.00 H new ATOM 0 HA2 GLY A 77 25.749 8.606 -16.868 1.00 0.00 H new ATOM 0 HA3 GLY A 77 26.249 10.000 -17.806 1.00 0.00 H new ATOM 1183 N ASN A 78 23.943 10.766 -15.698 1.00 0.00 N ATOM 1184 CA ASN A 78 23.603 11.614 -14.560 1.00 0.00 C ATOM 1185 C ASN A 78 23.076 10.772 -13.404 1.00 0.00 C ATOM 1186 O ASN A 78 22.458 9.732 -13.615 1.00 0.00 O ATOM 1187 CB ASN A 78 22.558 12.661 -14.956 1.00 0.00 C ATOM 1188 CG ASN A 78 22.624 13.037 -16.423 1.00 0.00 C ATOM 1189 OD1 ASN A 78 21.613 13.038 -17.123 1.00 0.00 O ATOM 1190 ND2 ASN A 78 23.821 13.359 -16.889 1.00 0.00 N ATOM 0 H ASN A 78 23.140 10.420 -16.222 1.00 0.00 H new ATOM 0 HA ASN A 78 24.510 12.127 -14.241 1.00 0.00 H new ATOM 0 HB2 ASN A 78 21.563 12.278 -14.729 1.00 0.00 H new ATOM 0 HB3 ASN A 78 22.700 13.556 -14.350 1.00 0.00 H new ATOM 0 HD21 ASN A 78 23.933 13.623 -17.868 1.00 0.00 H new ATOM 0 HD22 ASN A 78 24.631 13.343 -16.269 1.00 0.00 H new ATOM 1197 N GLU A 79 23.321 11.228 -12.181 1.00 0.00 N ATOM 1198 CA GLU A 79 22.865 10.509 -10.999 1.00 0.00 C ATOM 1199 C GLU A 79 21.407 10.837 -10.692 1.00 0.00 C ATOM 1200 O GLU A 79 20.968 11.973 -10.867 1.00 0.00 O ATOM 1201 CB GLU A 79 23.743 10.855 -9.793 1.00 0.00 C ATOM 1202 CG GLU A 79 25.204 10.473 -9.975 1.00 0.00 C ATOM 1203 CD GLU A 79 26.040 10.760 -8.744 1.00 0.00 C ATOM 1204 OE1 GLU A 79 25.546 11.464 -7.839 1.00 0.00 O ATOM 1205 OE2 GLU A 79 27.192 10.280 -8.685 1.00 0.00 O ATOM 0 H GLU A 79 23.831 12.089 -11.983 1.00 0.00 H new ATOM 0 HA GLU A 79 22.944 9.441 -11.202 1.00 0.00 H new ATOM 0 HB2 GLU A 79 23.677 11.926 -9.601 1.00 0.00 H new ATOM 0 HB3 GLU A 79 23.351 10.349 -8.911 1.00 0.00 H new ATOM 0 HG2 GLU A 79 25.271 9.412 -10.216 1.00 0.00 H new ATOM 0 HG3 GLU A 79 25.615 11.019 -10.824 1.00 0.00 H new ATOM 1212 N VAL A 80 20.662 9.833 -10.237 1.00 0.00 N ATOM 1213 CA VAL A 80 19.254 10.020 -9.910 1.00 0.00 C ATOM 1214 C VAL A 80 18.909 9.380 -8.571 1.00 0.00 C ATOM 1215 O VAL A 80 19.608 8.482 -8.104 1.00 0.00 O ATOM 1216 CB VAL A 80 18.326 9.431 -11.002 1.00 0.00 C ATOM 1217 CG1 VAL A 80 18.867 9.739 -12.389 1.00 0.00 C ATOM 1218 CG2 VAL A 80 18.139 7.926 -10.816 1.00 0.00 C ATOM 0 H VAL A 80 21.009 8.886 -10.087 1.00 0.00 H new ATOM 0 HA VAL A 80 19.091 11.096 -9.852 1.00 0.00 H new ATOM 0 HB VAL A 80 17.349 9.903 -10.901 1.00 0.00 H new ATOM 0 HG11 VAL A 80 18.201 9.317 -13.141 1.00 0.00 H new ATOM 0 HG12 VAL A 80 18.929 10.819 -12.524 1.00 0.00 H new ATOM 0 HG13 VAL A 80 19.860 9.303 -12.497 1.00 0.00 H new ATOM 0 HG21 VAL A 80 17.483 7.542 -11.597 1.00 0.00 H new ATOM 0 HG22 VAL A 80 19.107 7.429 -10.878 1.00 0.00 H new ATOM 0 HG23 VAL A 80 17.693 7.733 -9.840 1.00 0.00 H new ATOM 1228 N VAL A 81 17.819 9.838 -7.972 1.00 0.00 N ATOM 1229 CA VAL A 81 17.362 9.296 -6.703 1.00 0.00 C ATOM 1230 C VAL A 81 16.204 8.332 -6.942 1.00 0.00 C ATOM 1231 O VAL A 81 15.063 8.758 -7.123 1.00 0.00 O ATOM 1232 CB VAL A 81 16.902 10.411 -5.743 1.00 0.00 C ATOM 1233 CG1 VAL A 81 16.572 9.838 -4.375 1.00 0.00 C ATOM 1234 CG2 VAL A 81 17.967 11.492 -5.635 1.00 0.00 C ATOM 0 H VAL A 81 17.234 10.585 -8.346 1.00 0.00 H new ATOM 0 HA VAL A 81 18.200 8.772 -6.244 1.00 0.00 H new ATOM 0 HB VAL A 81 15.996 10.863 -6.147 1.00 0.00 H new ATOM 0 HG11 VAL A 81 16.249 10.641 -3.712 1.00 0.00 H new ATOM 0 HG12 VAL A 81 15.772 9.104 -4.471 1.00 0.00 H new ATOM 0 HG13 VAL A 81 17.457 9.358 -3.959 1.00 0.00 H new ATOM 0 HG21 VAL A 81 17.626 12.272 -4.954 1.00 0.00 H new ATOM 0 HG22 VAL A 81 18.891 11.056 -5.255 1.00 0.00 H new ATOM 0 HG23 VAL A 81 18.148 11.924 -6.619 1.00 0.00 H new ATOM 1244 N PRO A 82 16.482 7.014 -6.966 1.00 0.00 N ATOM 1245 CA PRO A 82 15.458 6.000 -7.209 1.00 0.00 C ATOM 1246 C PRO A 82 14.163 6.278 -6.451 1.00 0.00 C ATOM 1247 O PRO A 82 14.183 6.795 -5.334 1.00 0.00 O ATOM 1248 CB PRO A 82 16.113 4.721 -6.697 1.00 0.00 C ATOM 1249 CG PRO A 82 17.571 4.931 -6.923 1.00 0.00 C ATOM 1250 CD PRO A 82 17.817 6.412 -6.780 1.00 0.00 C ATOM 0 HA PRO A 82 15.162 5.961 -8.257 1.00 0.00 H new ATOM 0 HB2 PRO A 82 15.895 4.558 -5.642 1.00 0.00 H new ATOM 0 HB3 PRO A 82 15.750 3.846 -7.236 1.00 0.00 H new ATOM 0 HG2 PRO A 82 18.161 4.368 -6.200 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.864 4.583 -7.913 1.00 0.00 H new ATOM 0 HD2 PRO A 82 18.232 6.655 -5.802 1.00 0.00 H new ATOM 0 HD3 PRO A 82 18.525 6.773 -7.526 1.00 0.00 H new ATOM 1258 N LYS A 83 13.039 5.931 -7.066 1.00 0.00 N ATOM 1259 CA LYS A 83 11.734 6.143 -6.450 1.00 0.00 C ATOM 1260 C LYS A 83 11.396 5.016 -5.482 1.00 0.00 C ATOM 1261 O LYS A 83 11.803 3.870 -5.676 1.00 0.00 O ATOM 1262 CB LYS A 83 10.649 6.259 -7.522 1.00 0.00 C ATOM 1263 CG LYS A 83 10.404 7.685 -7.987 1.00 0.00 C ATOM 1264 CD LYS A 83 8.940 7.919 -8.318 1.00 0.00 C ATOM 1265 CE LYS A 83 8.757 9.142 -9.203 1.00 0.00 C ATOM 1266 NZ LYS A 83 7.378 9.696 -9.108 1.00 0.00 N ATOM 0 H LYS A 83 13.004 5.502 -7.991 1.00 0.00 H new ATOM 0 HA LYS A 83 11.776 7.076 -5.888 1.00 0.00 H new ATOM 0 HB2 LYS A 83 10.931 5.649 -8.380 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.718 5.848 -7.131 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.718 8.381 -7.209 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.014 7.892 -8.866 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.535 7.041 -8.821 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.374 8.048 -7.396 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.477 9.909 -8.916 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.971 8.876 -10.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.295 10.528 -9.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.692 8.973 -9.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 7.182 9.974 -8.125 1.00 0.00 H new ATOM 1280 N PRO A 84 10.654 5.340 -4.413 1.00 0.00 N ATOM 1281 CA PRO A 84 10.261 4.376 -3.382 1.00 0.00 C ATOM 1282 C PRO A 84 9.164 3.427 -3.851 1.00 0.00 C ATOM 1283 O PRO A 84 8.453 3.713 -4.815 1.00 0.00 O ATOM 1284 CB PRO A 84 9.754 5.264 -2.238 1.00 0.00 C ATOM 1285 CG PRO A 84 10.185 6.641 -2.608 1.00 0.00 C ATOM 1286 CD PRO A 84 10.152 6.674 -4.096 1.00 0.00 C ATOM 0 HA PRO A 84 11.089 3.725 -3.101 1.00 0.00 H new ATOM 0 HB2 PRO A 84 8.670 5.202 -2.139 1.00 0.00 H new ATOM 0 HB3 PRO A 84 10.180 4.959 -1.282 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.517 7.390 -2.183 1.00 0.00 H new ATOM 0 HG3 PRO A 84 11.185 6.855 -2.231 1.00 0.00 H new ATOM 0 HD2 PRO A 84 9.147 6.839 -4.483 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.785 7.461 -4.506 1.00 0.00 H new ATOM 1294 N GLN A 85 9.027 2.300 -3.159 1.00 0.00 N ATOM 1295 CA GLN A 85 8.009 1.314 -3.504 1.00 0.00 C ATOM 1296 C GLN A 85 6.612 1.883 -3.283 1.00 0.00 C ATOM 1297 O GLN A 85 6.413 2.747 -2.430 1.00 0.00 O ATOM 1298 CB GLN A 85 8.199 0.044 -2.670 1.00 0.00 C ATOM 1299 CG GLN A 85 8.749 -1.130 -3.465 1.00 0.00 C ATOM 1300 CD GLN A 85 9.671 -2.009 -2.642 1.00 0.00 C ATOM 1301 OE1 GLN A 85 9.475 -3.222 -2.554 1.00 0.00 O ATOM 1302 NE2 GLN A 85 10.684 -1.401 -2.036 1.00 0.00 N ATOM 0 H GLN A 85 9.606 2.047 -2.358 1.00 0.00 H new ATOM 0 HA GLN A 85 8.116 1.064 -4.559 1.00 0.00 H new ATOM 0 HB2 GLN A 85 8.875 0.260 -1.843 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.242 -0.240 -2.233 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.920 -1.730 -3.841 1.00 0.00 H new ATOM 0 HG3 GLN A 85 9.290 -0.755 -4.334 1.00 0.00 H new ATOM 0 HE21 GLN A 85 10.808 -0.394 -2.137 1.00 0.00 H new ATOM 0 HE22 GLN A 85 11.338 -1.941 -1.470 1.00 0.00 H new ATOM 1311 N ARG A 86 5.647 1.396 -4.056 1.00 0.00 N ATOM 1312 CA ARG A 86 4.271 1.864 -3.939 1.00 0.00 C ATOM 1313 C ARG A 86 3.283 0.769 -4.332 1.00 0.00 C ATOM 1314 O ARG A 86 3.310 0.271 -5.458 1.00 0.00 O ATOM 1315 CB ARG A 86 4.055 3.096 -4.817 1.00 0.00 C ATOM 1316 CG ARG A 86 4.386 4.406 -4.119 1.00 0.00 C ATOM 1317 CD ARG A 86 5.684 5.004 -4.639 1.00 0.00 C ATOM 1318 NE ARG A 86 5.447 6.027 -5.655 1.00 0.00 N ATOM 1319 CZ ARG A 86 5.076 7.276 -5.378 1.00 0.00 C ATOM 1320 NH1 ARG A 86 4.897 7.658 -4.119 1.00 0.00 N ATOM 1321 NH2 ARG A 86 4.882 8.143 -6.362 1.00 0.00 N ATOM 0 H ARG A 86 5.792 0.680 -4.768 1.00 0.00 H new ATOM 0 HA ARG A 86 4.094 2.129 -2.897 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.669 3.006 -5.713 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.016 3.121 -5.145 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.572 5.115 -4.269 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.467 4.237 -3.045 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.241 5.439 -3.809 1.00 0.00 H new ATOM 0 HD3 ARG A 86 6.305 4.213 -5.059 1.00 0.00 H new ATOM 0 HE ARG A 86 5.573 5.770 -6.634 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.044 6.994 -3.359 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.613 8.616 -3.912 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.017 7.854 -7.331 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.598 9.099 -6.150 1.00 0.00 H new ATOM 1335 N HIS A 87 2.407 0.404 -3.402 1.00 0.00 N ATOM 1336 CA HIS A 87 1.404 -0.625 -3.655 1.00 0.00 C ATOM 1337 C HIS A 87 0.059 0.013 -3.986 1.00 0.00 C ATOM 1338 O HIS A 87 -0.187 1.170 -3.647 1.00 0.00 O ATOM 1339 CB HIS A 87 1.264 -1.546 -2.441 1.00 0.00 C ATOM 1340 CG HIS A 87 2.519 -2.289 -2.104 1.00 0.00 C ATOM 1341 ND1 HIS A 87 2.957 -3.389 -2.812 1.00 0.00 N ATOM 1342 CD2 HIS A 87 3.434 -2.085 -1.127 1.00 0.00 C ATOM 1343 CE1 HIS A 87 4.086 -3.830 -2.284 1.00 0.00 C ATOM 1344 NE2 HIS A 87 4.397 -3.056 -1.261 1.00 0.00 N ATOM 0 H HIS A 87 2.371 0.806 -2.465 1.00 0.00 H new ATOM 0 HA HIS A 87 1.730 -1.219 -4.509 1.00 0.00 H new ATOM 0 HB2 HIS A 87 0.960 -0.953 -1.579 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.466 -2.264 -2.631 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.411 -1.304 -0.381 1.00 0.00 H new ATOM 0 HE1 HIS A 87 4.657 -4.679 -2.631 1.00 0.00 H new ATOM 0 HE2 HIS A 87 5.219 -3.162 -0.666 1.00 0.00 H new ATOM 1353 N MET A 88 -0.807 -0.743 -4.654 1.00 0.00 N ATOM 1354 CA MET A 88 -2.122 -0.233 -5.030 1.00 0.00 C ATOM 1355 C MET A 88 -3.223 -1.237 -4.708 1.00 0.00 C ATOM 1356 O MET A 88 -3.118 -2.420 -5.033 1.00 0.00 O ATOM 1357 CB MET A 88 -2.149 0.111 -6.520 1.00 0.00 C ATOM 1358 CG MET A 88 -3.476 0.680 -6.991 1.00 0.00 C ATOM 1359 SD MET A 88 -3.528 0.936 -8.775 1.00 0.00 S ATOM 1360 CE MET A 88 -5.160 1.648 -8.968 1.00 0.00 C ATOM 0 H MET A 88 -0.625 -1.704 -4.944 1.00 0.00 H new ATOM 0 HA MET A 88 -2.308 0.669 -4.448 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.359 0.832 -6.732 1.00 0.00 H new ATOM 0 HB3 MET A 88 -1.924 -0.787 -7.095 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.280 0.004 -6.701 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.660 1.628 -6.486 1.00 0.00 H new ATOM 0 HE1 MET A 88 -5.376 1.780 -10.028 1.00 0.00 H new ATOM 0 HE2 MET A 88 -5.902 0.983 -8.527 1.00 0.00 H new ATOM 0 HE3 MET A 88 -5.197 2.615 -8.467 1.00 0.00 H new ATOM 1370 N PHE A 89 -4.285 -0.749 -4.074 1.00 0.00 N ATOM 1371 CA PHE A 89 -5.421 -1.588 -3.711 1.00 0.00 C ATOM 1372 C PHE A 89 -6.729 -0.849 -3.966 1.00 0.00 C ATOM 1373 O PHE A 89 -6.799 0.370 -3.817 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.330 -1.999 -2.239 1.00 0.00 C ATOM 1375 CG PHE A 89 -4.117 -2.824 -1.919 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -2.923 -2.216 -1.563 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.169 -4.208 -1.975 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -1.805 -2.972 -1.268 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -3.054 -4.970 -1.680 1.00 0.00 C ATOM 1380 CZ PHE A 89 -1.869 -4.350 -1.327 1.00 0.00 C ATOM 0 H PHE A 89 -4.382 0.229 -3.800 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.398 -2.486 -4.329 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.323 -1.102 -1.620 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.224 -2.563 -1.972 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.866 -1.139 -1.516 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -5.091 -4.697 -2.252 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.881 -2.485 -0.991 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.108 -6.048 -1.725 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.996 -4.943 -1.098 1.00 0.00 H new ATOM 1390 N SER A 90 -7.765 -1.586 -4.356 1.00 0.00 N ATOM 1391 CA SER A 90 -9.064 -0.982 -4.633 1.00 0.00 C ATOM 1392 C SER A 90 -10.155 -1.590 -3.758 1.00 0.00 C ATOM 1393 O SER A 90 -10.247 -2.808 -3.617 1.00 0.00 O ATOM 1394 CB SER A 90 -9.421 -1.146 -6.111 1.00 0.00 C ATOM 1395 OG SER A 90 -10.810 -0.963 -6.327 1.00 0.00 O ATOM 0 H SER A 90 -7.731 -2.597 -4.487 1.00 0.00 H new ATOM 0 HA SER A 90 -8.996 0.080 -4.399 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.860 -0.425 -6.705 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.125 -2.138 -6.451 1.00 0.00 H new ATOM 0 HG SER A 90 -11.010 -1.072 -7.280 1.00 0.00 H new ATOM 1401 N PHE A 91 -10.982 -0.729 -3.173 1.00 0.00 N ATOM 1402 CA PHE A 91 -12.072 -1.176 -2.312 1.00 0.00 C ATOM 1403 C PHE A 91 -13.410 -0.647 -2.817 1.00 0.00 C ATOM 1404 O PHE A 91 -13.457 0.184 -3.724 1.00 0.00 O ATOM 1405 CB PHE A 91 -11.844 -0.705 -0.874 1.00 0.00 C ATOM 1406 CG PHE A 91 -10.503 -1.086 -0.319 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -9.342 -0.546 -0.849 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -10.401 -1.982 0.734 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -8.105 -0.893 -0.340 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -9.168 -2.331 1.248 1.00 0.00 C ATOM 1411 CZ PHE A 91 -8.018 -1.786 0.710 1.00 0.00 C ATOM 0 H PHE A 91 -10.918 0.283 -3.280 1.00 0.00 H new ATOM 0 HA PHE A 91 -12.093 -2.266 -2.333 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -11.948 0.379 -0.836 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -12.623 -1.123 -0.236 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -9.405 0.154 -1.669 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -11.297 -2.412 1.157 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.207 -0.466 -0.763 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -9.103 -3.029 2.069 1.00 0.00 H new ATOM 0 HZ PHE A 91 -7.052 -2.058 1.110 1.00 0.00 H new ATOM 1421 N ASN A 92 -14.495 -1.131 -2.224 1.00 0.00 N ATOM 1422 CA ASN A 92 -15.832 -0.701 -2.613 1.00 0.00 C ATOM 1423 C ASN A 92 -16.663 -0.313 -1.393 1.00 0.00 C ATOM 1424 O ASN A 92 -17.892 -0.285 -1.451 1.00 0.00 O ATOM 1425 CB ASN A 92 -16.542 -1.807 -3.390 1.00 0.00 C ATOM 1426 CG ASN A 92 -15.764 -2.246 -4.616 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -15.199 -1.421 -5.334 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.730 -3.551 -4.859 1.00 0.00 N ATOM 0 H ASN A 92 -14.475 -1.821 -1.473 1.00 0.00 H new ATOM 0 HA ASN A 92 -15.727 0.176 -3.252 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.697 -2.665 -2.735 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -17.528 -1.457 -3.695 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.221 -3.906 -5.668 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -16.213 -4.198 -4.236 1.00 0.00 H new ATOM 1435 N ASN A 93 -15.987 -0.013 -0.288 1.00 0.00 N ATOM 1436 CA ASN A 93 -16.667 0.374 0.942 1.00 0.00 C ATOM 1437 C ASN A 93 -15.783 1.285 1.786 1.00 0.00 C ATOM 1438 O ASN A 93 -14.740 0.863 2.286 1.00 0.00 O ATOM 1439 CB ASN A 93 -17.057 -0.867 1.748 1.00 0.00 C ATOM 1440 CG ASN A 93 -18.052 -0.554 2.848 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -18.438 0.599 3.041 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -18.472 -1.581 3.575 1.00 0.00 N ATOM 0 H ASN A 93 -14.969 -0.031 -0.220 1.00 0.00 H new ATOM 0 HA ASN A 93 -17.571 0.921 0.672 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -17.484 -1.613 1.077 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -16.162 -1.308 2.187 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -19.142 -1.432 4.330 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -18.125 -2.520 3.379 1.00 0.00 H new ATOM 1449 N ARG A 94 -16.207 2.536 1.943 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.449 3.504 2.729 1.00 0.00 C ATOM 1451 C ARG A 94 -15.201 2.985 4.137 1.00 0.00 C ATOM 1452 O ARG A 94 -14.178 3.289 4.754 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.193 4.840 2.787 1.00 0.00 C ATOM 1454 CG ARG A 94 -16.079 5.658 1.511 1.00 0.00 C ATOM 1455 CD ARG A 94 -14.799 6.479 1.490 1.00 0.00 C ATOM 1456 NE ARG A 94 -14.725 7.400 2.623 1.00 0.00 N ATOM 1457 CZ ARG A 94 -13.593 7.948 3.060 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -12.441 7.675 2.463 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -13.614 8.774 4.097 1.00 0.00 N ATOM 0 H ARG A 94 -17.068 2.902 1.538 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.485 3.654 2.243 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.246 4.651 2.994 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -15.805 5.426 3.620 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -16.101 4.993 0.648 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -16.940 6.321 1.424 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -13.938 5.810 1.508 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -14.745 7.043 0.559 1.00 0.00 H new ATOM 0 HE ARG A 94 -15.591 7.637 3.107 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.418 7.042 1.664 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.578 8.098 2.803 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -14.497 8.989 4.560 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.747 9.194 4.432 1.00 0.00 H new ATOM 1473 N THR A 95 -16.142 2.200 4.638 1.00 0.00 N ATOM 1474 CA THR A 95 -16.049 1.630 5.958 1.00 0.00 C ATOM 1475 C THR A 95 -14.930 0.599 6.031 1.00 0.00 C ATOM 1476 O THR A 95 -14.033 0.700 6.868 1.00 0.00 O ATOM 1477 CB THR A 95 -17.380 0.994 6.308 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.408 1.475 5.459 1.00 0.00 O ATOM 1479 CG2 THR A 95 -17.808 1.252 7.728 1.00 0.00 C ATOM 0 H THR A 95 -16.991 1.944 4.133 1.00 0.00 H new ATOM 0 HA THR A 95 -15.815 2.418 6.674 1.00 0.00 H new ATOM 0 HB THR A 95 -17.228 -0.077 6.177 1.00 0.00 H new ATOM 0 HG1 THR A 95 -18.562 0.832 4.736 1.00 0.00 H new ATOM 0 HG21 THR A 95 -18.768 0.769 7.912 1.00 0.00 H new ATOM 0 HG22 THR A 95 -17.062 0.848 8.412 1.00 0.00 H new ATOM 0 HG23 THR A 95 -17.905 2.326 7.889 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.980 -0.390 5.143 1.00 0.00 N ATOM 1488 CA VAL A 96 -13.961 -1.428 5.106 1.00 0.00 C ATOM 1489 C VAL A 96 -12.589 -0.814 4.870 1.00 0.00 C ATOM 1490 O VAL A 96 -11.628 -1.124 5.574 1.00 0.00 O ATOM 1491 CB VAL A 96 -14.251 -2.469 4.005 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -13.185 -3.553 3.990 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -15.633 -3.073 4.196 1.00 0.00 C ATOM 0 H VAL A 96 -15.714 -0.492 4.442 1.00 0.00 H new ATOM 0 HA VAL A 96 -13.976 -1.934 6.071 1.00 0.00 H new ATOM 0 HB VAL A 96 -14.228 -1.962 3.040 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -13.411 -4.275 3.205 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.211 -3.103 3.799 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -13.167 -4.059 4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -15.822 -3.805 3.411 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -15.685 -3.562 5.169 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -16.385 -2.285 4.145 1.00 0.00 H new ATOM 1503 N MET A 97 -12.509 0.071 3.885 1.00 0.00 N ATOM 1504 CA MET A 97 -11.259 0.742 3.573 1.00 0.00 C ATOM 1505 C MET A 97 -10.834 1.620 4.743 1.00 0.00 C ATOM 1506 O MET A 97 -9.645 1.838 4.971 1.00 0.00 O ATOM 1507 CB MET A 97 -11.402 1.585 2.305 1.00 0.00 C ATOM 1508 CG MET A 97 -10.113 1.698 1.508 1.00 0.00 C ATOM 1509 SD MET A 97 -10.319 2.652 -0.008 1.00 0.00 S ATOM 1510 CE MET A 97 -10.335 4.317 0.648 1.00 0.00 C ATOM 0 H MET A 97 -13.294 0.339 3.291 1.00 0.00 H new ATOM 0 HA MET A 97 -10.493 -0.013 3.399 1.00 0.00 H new ATOM 0 HB2 MET A 97 -12.175 1.148 1.672 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.741 2.584 2.578 1.00 0.00 H new ATOM 0 HG2 MET A 97 -9.347 2.166 2.127 1.00 0.00 H new ATOM 0 HG3 MET A 97 -9.755 0.699 1.259 1.00 0.00 H new ATOM 0 HE1 MET A 97 -11.132 4.888 0.172 1.00 0.00 H new ATOM 0 HE2 MET A 97 -10.506 4.283 1.724 1.00 0.00 H new ATOM 0 HE3 MET A 97 -9.376 4.796 0.448 1.00 0.00 H new ATOM 1520 N ASP A 98 -11.819 2.115 5.492 1.00 0.00 N ATOM 1521 CA ASP A 98 -11.546 2.959 6.645 1.00 0.00 C ATOM 1522 C ASP A 98 -10.820 2.167 7.722 1.00 0.00 C ATOM 1523 O ASP A 98 -9.975 2.700 8.438 1.00 0.00 O ATOM 1524 CB ASP A 98 -12.845 3.544 7.203 1.00 0.00 C ATOM 1525 CG ASP A 98 -13.127 4.935 6.673 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -12.163 5.629 6.283 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -14.311 5.331 6.644 1.00 0.00 O ATOM 0 H ASP A 98 -12.809 1.944 5.318 1.00 0.00 H new ATOM 0 HA ASP A 98 -10.906 3.781 6.325 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -13.676 2.886 6.948 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -12.787 3.578 8.291 1.00 0.00 H new ATOM 1532 N ASN A 99 -11.154 0.888 7.823 1.00 0.00 N ATOM 1533 CA ASN A 99 -10.527 0.015 8.806 1.00 0.00 C ATOM 1534 C ASN A 99 -9.067 -0.235 8.447 1.00 0.00 C ATOM 1535 O ASN A 99 -8.197 -0.246 9.316 1.00 0.00 O ATOM 1536 CB ASN A 99 -11.278 -1.317 8.902 1.00 0.00 C ATOM 1537 CG ASN A 99 -12.634 -1.168 9.563 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -13.677 -1.044 8.752 1.00 0.00 O flip ATOM 1539 ND2 ASN A 99 -12.743 -1.167 10.789 1.00 0.00 N flip ATOM 0 H ASN A 99 -11.854 0.432 7.238 1.00 0.00 H new ATOM 0 HA ASN A 99 -10.570 0.511 9.775 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -11.408 -1.731 7.902 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -10.678 -2.030 9.467 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -11.914 -1.265 11.375 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -13.663 -1.068 11.219 1.00 0.00 H new ATOM 1546 N ILE A 100 -8.806 -0.424 7.156 1.00 0.00 N ATOM 1547 CA ILE A 100 -7.451 -0.666 6.678 1.00 0.00 C ATOM 1548 C ILE A 100 -6.573 0.559 6.902 1.00 0.00 C ATOM 1549 O ILE A 100 -5.493 0.467 7.486 1.00 0.00 O ATOM 1550 CB ILE A 100 -7.436 -1.013 5.175 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.429 -2.139 4.874 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -6.034 -1.406 4.732 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -8.041 -3.464 5.484 1.00 0.00 C ATOM 0 H ILE A 100 -9.516 -0.414 6.424 1.00 0.00 H new ATOM 0 HA ILE A 100 -7.061 -1.511 7.245 1.00 0.00 H new ATOM 0 HB ILE A 100 -7.739 -0.128 4.615 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.414 -1.853 5.243 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.516 -2.257 3.794 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.043 -1.647 3.669 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -5.350 -0.576 4.910 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -5.704 -2.276 5.299 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.789 -4.215 5.230 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.071 -3.773 5.096 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.982 -3.362 6.568 1.00 0.00 H new ATOM 1565 N LYS A 101 -7.051 1.704 6.435 1.00 0.00 N ATOM 1566 CA LYS A 101 -6.323 2.955 6.581 1.00 0.00 C ATOM 1567 C LYS A 101 -6.160 3.319 8.051 1.00 0.00 C ATOM 1568 O LYS A 101 -5.200 3.984 8.438 1.00 0.00 O ATOM 1569 CB LYS A 101 -7.054 4.075 5.841 1.00 0.00 C ATOM 1570 CG LYS A 101 -6.177 5.274 5.521 1.00 0.00 C ATOM 1571 CD LYS A 101 -6.877 6.581 5.858 1.00 0.00 C ATOM 1572 CE LYS A 101 -8.188 6.729 5.100 1.00 0.00 C ATOM 1573 NZ LYS A 101 -8.207 7.956 4.256 1.00 0.00 N ATOM 0 H LYS A 101 -7.944 1.791 5.950 1.00 0.00 H new ATOM 0 HA LYS A 101 -5.331 2.828 6.148 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -7.463 3.677 4.912 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.899 4.406 6.445 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -5.245 5.204 6.081 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -5.915 5.263 4.463 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -7.070 6.625 6.930 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -6.221 7.418 5.617 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -8.344 5.853 4.470 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.015 6.763 5.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.752 7.773 3.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.649 8.735 4.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.233 8.219 4.003 1.00 0.00 H new ATOM 1587 N MET A 102 -7.106 2.871 8.864 1.00 0.00 N ATOM 1588 CA MET A 102 -7.080 3.137 10.296 1.00 0.00 C ATOM 1589 C MET A 102 -6.103 2.204 10.998 1.00 0.00 C ATOM 1590 O MET A 102 -5.371 2.618 11.897 1.00 0.00 O ATOM 1591 CB MET A 102 -8.477 2.980 10.899 1.00 0.00 C ATOM 1592 CG MET A 102 -9.319 4.243 10.813 1.00 0.00 C ATOM 1593 SD MET A 102 -10.840 4.132 11.776 1.00 0.00 S ATOM 1594 CE MET A 102 -11.629 2.722 11.002 1.00 0.00 C ATOM 0 H MET A 102 -7.906 2.318 8.554 1.00 0.00 H new ATOM 0 HA MET A 102 -6.749 4.165 10.442 1.00 0.00 H new ATOM 0 HB2 MET A 102 -8.997 2.171 10.386 1.00 0.00 H new ATOM 0 HB3 MET A 102 -8.382 2.686 11.944 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.732 5.091 11.165 1.00 0.00 H new ATOM 0 HG3 MET A 102 -9.568 4.439 9.770 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.615 2.571 11.441 1.00 0.00 H new ATOM 0 HE2 MET A 102 -11.732 2.904 9.932 1.00 0.00 H new ATOM 0 HE3 MET A 102 -11.021 1.832 11.161 1.00 0.00 H new ATOM 1604 N THR A 103 -6.100 0.944 10.582 1.00 0.00 N ATOM 1605 CA THR A 103 -5.215 -0.048 11.170 1.00 0.00 C ATOM 1606 C THR A 103 -3.783 0.139 10.676 1.00 0.00 C ATOM 1607 O THR A 103 -2.828 -0.053 11.428 1.00 0.00 O ATOM 1608 CB THR A 103 -5.731 -1.453 10.856 1.00 0.00 C ATOM 1609 OG1 THR A 103 -6.203 -2.090 12.029 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.688 -2.344 10.241 1.00 0.00 C ATOM 0 H THR A 103 -6.701 0.587 9.840 1.00 0.00 H new ATOM 0 HA THR A 103 -5.206 0.084 12.252 1.00 0.00 H new ATOM 0 HB THR A 103 -6.536 -1.310 10.135 1.00 0.00 H new ATOM 0 HG1 THR A 103 -6.380 -3.035 11.839 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.119 -3.325 10.043 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.340 -1.905 9.306 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.848 -2.448 10.928 1.00 0.00 H new ATOM 1618 N LEU A 104 -3.638 0.514 9.409 1.00 0.00 N ATOM 1619 CA LEU A 104 -2.319 0.726 8.827 1.00 0.00 C ATOM 1620 C LEU A 104 -1.585 1.853 9.542 1.00 0.00 C ATOM 1621 O LEU A 104 -0.384 1.763 9.793 1.00 0.00 O ATOM 1622 CB LEU A 104 -2.440 1.041 7.335 1.00 0.00 C ATOM 1623 CG LEU A 104 -2.434 -0.181 6.414 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -2.751 0.227 4.984 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -1.093 -0.895 6.483 1.00 0.00 C ATOM 0 H LEU A 104 -4.415 0.677 8.768 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.743 -0.191 8.949 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.363 1.597 7.170 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.617 1.697 7.049 1.00 0.00 H new ATOM 0 HG LEU A 104 -3.207 -0.871 6.753 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -2.742 -0.655 4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.736 0.692 4.948 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.002 0.937 4.634 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -1.108 -1.761 5.822 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -0.302 -0.214 6.171 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.907 -1.223 7.506 1.00 0.00 H new ATOM 1637 N GLN A 105 -2.316 2.913 9.873 1.00 0.00 N ATOM 1638 CA GLN A 105 -1.731 4.057 10.566 1.00 0.00 C ATOM 1639 C GLN A 105 -1.195 3.650 11.933 1.00 0.00 C ATOM 1640 O GLN A 105 -0.261 4.261 12.453 1.00 0.00 O ATOM 1641 CB GLN A 105 -2.766 5.172 10.720 1.00 0.00 C ATOM 1642 CG GLN A 105 -2.770 6.164 9.567 1.00 0.00 C ATOM 1643 CD GLN A 105 -2.682 7.603 10.036 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -1.940 8.407 9.471 1.00 0.00 O ATOM 1645 NE2 GLN A 105 -3.440 7.936 11.073 1.00 0.00 N ATOM 0 H GLN A 105 -3.312 3.004 9.673 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.899 4.426 9.966 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -3.757 4.727 10.808 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -2.574 5.709 11.649 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -1.931 5.949 8.905 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -3.680 6.031 8.982 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -4.040 7.237 11.511 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -3.422 8.891 11.432 1.00 0.00 H new ATOM 1654 N GLN A 106 -1.793 2.615 12.507 1.00 0.00 N ATOM 1655 CA GLN A 106 -1.376 2.124 13.815 1.00 0.00 C ATOM 1656 C GLN A 106 -0.001 1.470 13.740 1.00 0.00 C ATOM 1657 O GLN A 106 0.828 1.642 14.633 1.00 0.00 O ATOM 1658 CB GLN A 106 -2.401 1.122 14.355 1.00 0.00 C ATOM 1659 CG GLN A 106 -3.761 1.737 14.641 1.00 0.00 C ATOM 1660 CD GLN A 106 -4.745 0.736 15.211 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -5.317 -0.074 14.481 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -4.949 0.786 16.522 1.00 0.00 N ATOM 0 H GLN A 106 -2.567 2.099 12.089 1.00 0.00 H new ATOM 0 HA GLN A 106 -1.315 2.976 14.493 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.522 0.314 13.634 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.013 0.676 15.271 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -3.642 2.563 15.342 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -4.167 2.156 13.720 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -4.453 1.474 17.089 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -5.601 0.137 16.962 1.00 0.00 H new ATOM 1671 N ILE A 107 0.235 0.715 12.672 1.00 0.00 N ATOM 1672 CA ILE A 107 1.510 0.032 12.485 1.00 0.00 C ATOM 1673 C ILE A 107 2.648 1.027 12.294 1.00 0.00 C ATOM 1674 O ILE A 107 3.709 0.892 12.899 1.00 0.00 O ATOM 1675 CB ILE A 107 1.460 -0.930 11.281 1.00 0.00 C ATOM 1676 CG1 ILE A 107 0.333 -1.950 11.463 1.00 0.00 C ATOM 1677 CG2 ILE A 107 2.798 -1.635 11.103 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -0.564 -2.082 10.252 1.00 0.00 C ATOM 0 H ILE A 107 -0.440 0.561 11.923 1.00 0.00 H new ATOM 0 HA ILE A 107 1.696 -0.547 13.390 1.00 0.00 H new ATOM 0 HB ILE A 107 1.259 -0.349 10.381 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.768 -2.923 11.691 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -0.271 -1.662 12.323 1.00 0.00 H new ATOM 0 HG21 ILE A 107 2.743 -2.310 10.249 1.00 0.00 H new ATOM 0 HG22 ILE A 107 3.579 -0.895 10.931 1.00 0.00 H new ATOM 0 HG23 ILE A 107 3.031 -2.206 12.002 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.339 -2.821 10.452 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -1.028 -1.119 10.036 1.00 0.00 H new ATOM 0 HD13 ILE A 107 0.028 -2.400 9.394 1.00 0.00 H new ATOM 1690 N ILE A 108 2.418 2.038 11.464 1.00 0.00 N ATOM 1691 CA ILE A 108 3.433 3.059 11.225 1.00 0.00 C ATOM 1692 C ILE A 108 3.776 3.735 12.530 1.00 0.00 C ATOM 1693 O ILE A 108 4.912 3.694 13.000 1.00 0.00 O ATOM 1694 CB ILE A 108 2.968 4.149 10.238 1.00 0.00 C ATOM 1695 CG1 ILE A 108 2.123 3.562 9.111 1.00 0.00 C ATOM 1696 CG2 ILE A 108 4.168 4.889 9.669 1.00 0.00 C ATOM 1697 CD1 ILE A 108 1.118 4.544 8.559 1.00 0.00 C ATOM 0 H ILE A 108 1.548 2.173 10.950 1.00 0.00 H new ATOM 0 HA ILE A 108 4.294 2.550 10.791 1.00 0.00 H new ATOM 0 HB ILE A 108 2.343 4.853 10.788 1.00 0.00 H new ATOM 0 HG12 ILE A 108 2.779 3.230 8.306 1.00 0.00 H new ATOM 0 HG13 ILE A 108 1.598 2.680 9.478 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.826 5.656 8.974 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.725 5.357 10.481 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.814 4.185 9.144 1.00 0.00 H new ATOM 0 HD11 ILE A 108 0.547 4.070 7.761 1.00 0.00 H new ATOM 0 HD12 ILE A 108 0.441 4.857 9.354 1.00 0.00 H new ATOM 0 HD13 ILE A 108 1.640 5.415 8.163 1.00 0.00 H new ATOM 1709 N SER A 109 2.762 4.348 13.106 1.00 0.00 N ATOM 1710 CA SER A 109 2.903 5.047 14.377 1.00 0.00 C ATOM 1711 C SER A 109 3.568 4.154 15.418 1.00 0.00 C ATOM 1712 O SER A 109 4.252 4.637 16.319 1.00 0.00 O ATOM 1713 CB SER A 109 1.538 5.515 14.883 1.00 0.00 C ATOM 1714 OG SER A 109 1.674 6.366 16.008 1.00 0.00 O ATOM 0 H SER A 109 1.821 4.379 12.713 1.00 0.00 H new ATOM 0 HA SER A 109 3.538 5.918 14.214 1.00 0.00 H new ATOM 0 HB2 SER A 109 1.013 6.042 14.086 1.00 0.00 H new ATOM 0 HB3 SER A 109 0.930 4.651 15.149 1.00 0.00 H new ATOM 0 HG SER A 109 1.855 5.827 16.806 1.00 0.00 H new ATOM 1720 N ARG A 110 3.372 2.847 15.282 1.00 0.00 N ATOM 1721 CA ARG A 110 3.965 1.891 16.212 1.00 0.00 C ATOM 1722 C ARG A 110 5.477 1.853 16.048 1.00 0.00 C ATOM 1723 O ARG A 110 6.216 1.664 17.014 1.00 0.00 O ATOM 1724 CB ARG A 110 3.374 0.496 16.000 1.00 0.00 C ATOM 1725 CG ARG A 110 2.152 0.215 16.860 1.00 0.00 C ATOM 1726 CD ARG A 110 1.552 -1.145 16.546 1.00 0.00 C ATOM 1727 NE ARG A 110 0.304 -1.372 17.273 1.00 0.00 N ATOM 1728 CZ ARG A 110 0.240 -1.604 18.580 1.00 0.00 C ATOM 1729 NH1 ARG A 110 1.348 -1.642 19.312 1.00 0.00 N ATOM 1730 NH2 ARG A 110 -0.936 -1.801 19.162 1.00 0.00 N ATOM 0 H ARG A 110 2.811 2.426 14.542 1.00 0.00 H new ATOM 0 HA ARG A 110 3.734 2.215 17.227 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.103 0.381 14.950 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.139 -0.250 16.216 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.429 0.257 17.913 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.404 0.991 16.696 1.00 0.00 H new ATOM 0 HD2 ARG A 110 1.367 -1.221 15.475 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.268 -1.926 16.802 1.00 0.00 H new ATOM 0 HE ARG A 110 -0.569 -1.351 16.746 1.00 0.00 H new ATOM 0 HH11 ARG A 110 2.256 -1.493 18.871 1.00 0.00 H new ATOM 0 HH12 ARG A 110 1.291 -1.821 20.315 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -1.791 -1.774 18.606 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -0.985 -1.979 20.165 1.00 0.00 H new ATOM 1744 N TYR A 111 5.925 2.044 14.817 1.00 0.00 N ATOM 1745 CA TYR A 111 7.352 2.045 14.510 1.00 0.00 C ATOM 1746 C TYR A 111 7.854 3.466 14.257 1.00 0.00 C ATOM 1747 O TYR A 111 9.039 3.678 13.998 1.00 0.00 O ATOM 1748 CB TYR A 111 7.635 1.169 13.289 1.00 0.00 C ATOM 1749 CG TYR A 111 7.014 -0.208 13.375 1.00 0.00 C ATOM 1750 CD1 TYR A 111 7.166 -0.991 14.511 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.276 -0.724 12.317 1.00 0.00 C ATOM 1752 CE1 TYR A 111 6.600 -2.249 14.591 1.00 0.00 C ATOM 1753 CE2 TYR A 111 5.707 -1.980 12.389 1.00 0.00 C ATOM 1754 CZ TYR A 111 5.873 -2.740 13.528 1.00 0.00 C ATOM 1755 OH TYR A 111 5.307 -3.993 13.605 1.00 0.00 O ATOM 0 H TYR A 111 5.321 2.201 14.010 1.00 0.00 H new ATOM 0 HA TYR A 111 7.882 1.638 15.371 1.00 0.00 H new ATOM 0 HB2 TYR A 111 7.262 1.672 12.397 1.00 0.00 H new ATOM 0 HB3 TYR A 111 8.713 1.065 13.169 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.736 -0.611 15.346 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.145 -0.133 11.423 1.00 0.00 H new ATOM 0 HE1 TYR A 111 6.727 -2.845 15.483 1.00 0.00 H new ATOM 0 HE2 TYR A 111 5.135 -2.365 11.558 1.00 0.00 H new ATOM 0 HH TYR A 111 4.362 -3.942 13.349 1.00 0.00 H new ATOM 1765 N LYS A 112 6.945 4.435 14.328 1.00 0.00 N ATOM 1766 CA LYS A 112 7.289 5.832 14.105 1.00 0.00 C ATOM 1767 C LYS A 112 7.253 6.615 15.414 1.00 0.00 C ATOM 1768 O LYS A 112 8.028 7.551 15.608 1.00 0.00 O ATOM 1769 CB LYS A 112 6.327 6.451 13.090 1.00 0.00 C ATOM 1770 CG LYS A 112 6.710 7.858 12.668 1.00 0.00 C ATOM 1771 CD LYS A 112 6.043 8.895 13.552 1.00 0.00 C ATOM 1772 CE LYS A 112 4.728 9.371 12.955 1.00 0.00 C ATOM 1773 NZ LYS A 112 3.863 10.031 13.970 1.00 0.00 N ATOM 0 H LYS A 112 5.960 4.274 14.540 1.00 0.00 H new ATOM 0 HA LYS A 112 8.303 5.879 13.709 1.00 0.00 H new ATOM 0 HB2 LYS A 112 6.286 5.814 12.206 1.00 0.00 H new ATOM 0 HB3 LYS A 112 5.324 6.469 13.517 1.00 0.00 H new ATOM 0 HG2 LYS A 112 7.793 7.974 12.719 1.00 0.00 H new ATOM 0 HG3 LYS A 112 6.421 8.021 11.630 1.00 0.00 H new ATOM 0 HD2 LYS A 112 5.863 8.471 14.540 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.712 9.745 13.686 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.930 10.068 12.142 1.00 0.00 H new ATOM 0 HE3 LYS A 112 4.198 8.523 12.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.977 10.341 13.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 3.649 9.358 14.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.358 10.856 14.364 1.00 0.00 H new ATOM 1787 N ASP A 113 6.353 6.221 16.308 1.00 0.00 N ATOM 1788 CA ASP A 113 6.222 6.884 17.601 1.00 0.00 C ATOM 1789 C ASP A 113 7.497 6.723 18.422 1.00 0.00 C ATOM 1790 O ASP A 113 7.891 7.626 19.160 1.00 0.00 O ATOM 1791 CB ASP A 113 5.029 6.314 18.374 1.00 0.00 C ATOM 1792 CG ASP A 113 3.700 6.825 17.848 1.00 0.00 C ATOM 1793 OD1 ASP A 113 3.710 7.732 16.988 1.00 0.00 O ATOM 1794 OD2 ASP A 113 2.651 6.318 18.297 1.00 0.00 O ATOM 0 H ASP A 113 5.704 5.447 16.162 1.00 0.00 H new ATOM 0 HA ASP A 113 6.055 7.946 17.422 1.00 0.00 H new ATOM 0 HB2 ASP A 113 5.047 5.226 18.313 1.00 0.00 H new ATOM 0 HB3 ASP A 113 5.124 6.576 19.428 1.00 0.00 H new ATOM 1799 N ALA A 114 8.137 5.567 18.289 1.00 0.00 N ATOM 1800 CA ALA A 114 9.368 5.284 19.016 1.00 0.00 C ATOM 1801 C ALA A 114 10.473 6.260 18.627 1.00 0.00 C ATOM 1802 O ALA A 114 11.311 6.627 19.451 1.00 0.00 O ATOM 1803 CB ALA A 114 9.813 3.851 18.764 1.00 0.00 C ATOM 0 H ALA A 114 7.823 4.809 17.683 1.00 0.00 H new ATOM 0 HA ALA A 114 9.168 5.408 20.080 1.00 0.00 H new ATOM 0 HB1 ALA A 114 10.734 3.654 19.313 1.00 0.00 H new ATOM 0 HB2 ALA A 114 9.036 3.164 19.100 1.00 0.00 H new ATOM 0 HB3 ALA A 114 9.989 3.707 17.698 1.00 0.00 H new ATOM 1809 N ASP A 115 10.470 6.677 17.364 1.00 0.00 N ATOM 1810 CA ASP A 115 11.471 7.610 16.864 1.00 0.00 C ATOM 1811 C ASP A 115 10.810 8.824 16.220 1.00 0.00 C ATOM 1812 O ASP A 115 11.441 9.442 15.337 1.00 0.00 O ATOM 1813 CB ASP A 115 12.385 6.915 15.853 1.00 0.00 C ATOM 1814 CG ASP A 115 13.598 7.755 15.495 1.00 0.00 C ATOM 1815 OD1 ASP A 115 13.876 8.734 16.219 1.00 0.00 O ATOM 1816 OD2 ASP A 115 14.267 7.433 14.490 1.00 0.00 O ATOM 1817 OXT ASP A 115 9.666 9.147 16.602 1.00 0.00 O ATOM 0 H ASP A 115 9.784 6.382 16.669 1.00 0.00 H new ATOM 0 HA ASP A 115 12.069 7.951 17.709 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.716 5.961 16.263 1.00 0.00 H new ATOM 0 HB3 ASP A 115 11.819 6.694 14.948 1.00 0.00 H new TER 1822 ASP A 115 ATOM 1823 N LEU B 45 -3.023 4.300 -18.921 1.00 0.00 N ATOM 1824 CA LEU B 45 -1.910 4.627 -19.850 1.00 0.00 C ATOM 1825 C LEU B 45 -0.596 4.800 -19.096 1.00 0.00 C ATOM 1826 O LEU B 45 0.349 4.034 -19.291 1.00 0.00 O ATOM 1827 CB LEU B 45 -2.263 5.915 -20.598 1.00 0.00 C ATOM 1828 CG LEU B 45 -3.603 5.889 -21.336 1.00 0.00 C ATOM 1829 CD1 LEU B 45 -3.928 7.264 -21.900 1.00 0.00 C ATOM 1830 CD2 LEU B 45 -3.579 4.848 -22.446 1.00 0.00 C ATOM 0 HA LEU B 45 -1.778 3.806 -20.555 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -2.274 6.740 -19.885 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -1.473 6.127 -21.318 1.00 0.00 H new ATOM 0 HG LEU B 45 -4.383 5.616 -20.625 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -4.884 7.227 -22.422 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -3.987 7.987 -21.086 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -3.146 7.565 -22.597 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -4.540 4.843 -22.961 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -2.788 5.091 -23.156 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -3.392 3.863 -22.017 1.00 0.00 H new ATOM 1842 N SER B 46 -0.541 5.811 -18.235 1.00 0.00 N ATOM 1843 CA SER B 46 0.658 6.085 -17.453 1.00 0.00 C ATOM 1844 C SER B 46 0.326 6.199 -15.966 1.00 0.00 C ATOM 1845 O SER B 46 -0.837 6.365 -15.594 1.00 0.00 O ATOM 1846 CB SER B 46 1.326 7.373 -17.938 1.00 0.00 C ATOM 1847 OG SER B 46 2.308 7.100 -18.922 1.00 0.00 O ATOM 0 H SER B 46 -1.314 6.454 -18.061 1.00 0.00 H new ATOM 0 HA SER B 46 1.348 5.252 -17.590 1.00 0.00 H new ATOM 0 HB2 SER B 46 0.572 8.045 -18.349 1.00 0.00 H new ATOM 0 HB3 SER B 46 1.786 7.888 -17.094 1.00 0.00 H new ATOM 0 HG SER B 46 2.718 7.940 -19.216 1.00 0.00 H new ATOM 1853 N PRO B 47 1.346 6.113 -15.096 1.00 0.00 N ATOM 1854 CA PRO B 47 1.159 6.208 -13.644 1.00 0.00 C ATOM 1855 C PRO B 47 0.493 7.514 -13.232 1.00 0.00 C ATOM 1856 O PRO B 47 -0.343 7.537 -12.327 1.00 0.00 O ATOM 1857 CB PRO B 47 2.581 6.143 -13.081 1.00 0.00 C ATOM 1858 CG PRO B 47 3.482 6.419 -14.239 1.00 0.00 C ATOM 1859 CD PRO B 47 2.759 5.919 -15.454 1.00 0.00 C ATOM 0 HA PRO B 47 0.507 5.417 -13.274 1.00 0.00 H new ATOM 0 HB2 PRO B 47 2.723 6.878 -12.289 1.00 0.00 H new ATOM 0 HB3 PRO B 47 2.787 5.164 -12.648 1.00 0.00 H new ATOM 0 HG2 PRO B 47 3.695 7.485 -14.323 1.00 0.00 H new ATOM 0 HG3 PRO B 47 4.439 5.912 -14.118 1.00 0.00 H new ATOM 0 HD2 PRO B 47 3.031 6.482 -16.347 1.00 0.00 H new ATOM 0 HD3 PRO B 47 2.985 4.872 -15.657 1.00 0.00 H new ATOM 1867 N ASP B 48 0.863 8.600 -13.902 1.00 0.00 N ATOM 1868 CA ASP B 48 0.298 9.913 -13.607 1.00 0.00 C ATOM 1869 C ASP B 48 -1.227 9.860 -13.606 1.00 0.00 C ATOM 1870 O ASP B 48 -1.887 10.690 -12.982 1.00 0.00 O ATOM 1871 CB ASP B 48 0.785 10.943 -14.630 1.00 0.00 C ATOM 1872 CG ASP B 48 0.397 12.360 -14.253 1.00 0.00 C ATOM 1873 OD1 ASP B 48 0.007 12.579 -13.087 1.00 0.00 O ATOM 1874 OD2 ASP B 48 0.485 13.250 -15.124 1.00 0.00 O ATOM 0 H ASP B 48 1.552 8.598 -14.654 1.00 0.00 H new ATOM 0 HA ASP B 48 0.634 10.212 -12.614 1.00 0.00 H new ATOM 0 HB2 ASP B 48 1.869 10.878 -14.719 1.00 0.00 H new ATOM 0 HB3 ASP B 48 0.369 10.704 -15.609 1.00 0.00 H new ATOM 1879 N ASP B 49 -1.779 8.875 -14.309 1.00 0.00 N ATOM 1880 CA ASP B 49 -3.225 8.711 -14.388 1.00 0.00 C ATOM 1881 C ASP B 49 -3.802 8.350 -13.022 1.00 0.00 C ATOM 1882 O ASP B 49 -4.821 8.898 -12.603 1.00 0.00 O ATOM 1883 CB ASP B 49 -3.581 7.624 -15.404 1.00 0.00 C ATOM 1884 CG ASP B 49 -5.000 7.759 -15.922 1.00 0.00 C ATOM 1885 OD1 ASP B 49 -5.791 8.502 -15.304 1.00 0.00 O ATOM 1886 OD2 ASP B 49 -5.322 7.120 -16.946 1.00 0.00 O ATOM 0 H ASP B 49 -1.246 8.179 -14.831 1.00 0.00 H new ATOM 0 HA ASP B 49 -3.658 9.658 -14.711 1.00 0.00 H new ATOM 0 HB2 ASP B 49 -2.885 7.672 -16.242 1.00 0.00 H new ATOM 0 HB3 ASP B 49 -3.457 6.644 -14.942 1.00 0.00 H new ATOM 1891 N ILE B 50 -3.142 7.423 -12.337 1.00 0.00 N ATOM 1892 CA ILE B 50 -3.582 6.984 -11.019 1.00 0.00 C ATOM 1893 C ILE B 50 -3.379 8.076 -9.974 1.00 0.00 C ATOM 1894 O ILE B 50 -4.038 8.084 -8.934 1.00 0.00 O ATOM 1895 CB ILE B 50 -2.834 5.712 -10.575 1.00 0.00 C ATOM 1896 CG1 ILE B 50 -2.873 4.657 -11.682 1.00 0.00 C ATOM 1897 CG2 ILE B 50 -3.436 5.163 -9.289 1.00 0.00 C ATOM 1898 CD1 ILE B 50 -4.276 4.276 -12.104 1.00 0.00 C ATOM 0 H ILE B 50 -2.298 6.960 -12.674 1.00 0.00 H new ATOM 0 HA ILE B 50 -4.646 6.762 -11.099 1.00 0.00 H new ATOM 0 HB ILE B 50 -1.793 5.970 -10.383 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -2.330 5.032 -12.550 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -2.350 3.764 -11.340 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -2.896 4.265 -8.989 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -3.358 5.913 -8.502 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -4.485 4.918 -9.454 1.00 0.00 H new ATOM 0 HD11 ILE B 50 -4.227 3.524 -12.892 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -4.816 3.871 -11.248 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -4.796 5.159 -12.476 1.00 0.00 H new ATOM 1910 N GLU B 51 -2.465 8.995 -10.257 1.00 0.00 N ATOM 1911 CA GLU B 51 -2.174 10.092 -9.341 1.00 0.00 C ATOM 1912 C GLU B 51 -3.400 10.980 -9.147 1.00 0.00 C ATOM 1913 O GLU B 51 -3.604 11.545 -8.073 1.00 0.00 O ATOM 1914 CB GLU B 51 -1.005 10.926 -9.868 1.00 0.00 C ATOM 1915 CG GLU B 51 0.310 10.165 -9.923 1.00 0.00 C ATOM 1916 CD GLU B 51 0.764 9.686 -8.559 1.00 0.00 C ATOM 1917 OE1 GLU B 51 0.262 10.215 -7.547 1.00 0.00 O ATOM 1918 OE2 GLU B 51 1.624 8.781 -8.504 1.00 0.00 O ATOM 0 H GLU B 51 -1.912 9.003 -11.114 1.00 0.00 H new ATOM 0 HA GLU B 51 -1.902 9.664 -8.376 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -1.248 11.287 -10.867 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -0.881 11.804 -9.234 1.00 0.00 H new ATOM 0 HG2 GLU B 51 0.202 9.308 -10.587 1.00 0.00 H new ATOM 0 HG3 GLU B 51 1.079 10.807 -10.353 1.00 0.00 H new ATOM 1925 N GLN B 52 -4.211 11.098 -10.193 1.00 0.00 N ATOM 1926 CA GLN B 52 -5.415 11.919 -10.135 1.00 0.00 C ATOM 1927 C GLN B 52 -6.466 11.292 -9.227 1.00 0.00 C ATOM 1928 O GLN B 52 -7.261 11.996 -8.604 1.00 0.00 O ATOM 1929 CB GLN B 52 -5.987 12.122 -11.540 1.00 0.00 C ATOM 1930 CG GLN B 52 -5.749 13.518 -12.092 1.00 0.00 C ATOM 1931 CD GLN B 52 -5.532 13.522 -13.593 1.00 0.00 C ATOM 1932 OE1 GLN B 52 -6.193 14.257 -14.326 1.00 0.00 O ATOM 1933 NE2 GLN B 52 -4.600 12.699 -14.058 1.00 0.00 N ATOM 0 H GLN B 52 -4.057 10.637 -11.089 1.00 0.00 H new ATOM 0 HA GLN B 52 -5.141 12.888 -9.718 1.00 0.00 H new ATOM 0 HB2 GLN B 52 -5.541 11.391 -12.215 1.00 0.00 H new ATOM 0 HB3 GLN B 52 -7.059 11.925 -11.520 1.00 0.00 H new ATOM 0 HG2 GLN B 52 -6.603 14.151 -11.850 1.00 0.00 H new ATOM 0 HG3 GLN B 52 -4.879 13.955 -11.602 1.00 0.00 H new ATOM 0 HE21 GLN B 52 -4.075 12.107 -13.414 1.00 0.00 H new ATOM 0 HE22 GLN B 52 -4.409 12.659 -15.059 1.00 0.00 H new ATOM 1942 N TRP B 53 -6.464 9.965 -9.150 1.00 0.00 N ATOM 1943 CA TRP B 53 -7.420 9.247 -8.312 1.00 0.00 C ATOM 1944 C TRP B 53 -7.365 9.753 -6.873 1.00 0.00 C ATOM 1945 O TRP B 53 -8.350 9.677 -6.139 1.00 0.00 O ATOM 1946 CB TRP B 53 -7.139 7.744 -8.350 1.00 0.00 C ATOM 1947 CG TRP B 53 -7.530 7.100 -9.644 1.00 0.00 C ATOM 1948 CD1 TRP B 53 -7.038 7.386 -10.885 1.00 0.00 C ATOM 1949 CD2 TRP B 53 -8.497 6.059 -9.827 1.00 0.00 C ATOM 1950 NE1 TRP B 53 -7.639 6.589 -11.829 1.00 0.00 N ATOM 1951 CE2 TRP B 53 -8.540 5.765 -11.204 1.00 0.00 C ATOM 1952 CE3 TRP B 53 -9.333 5.347 -8.961 1.00 0.00 C ATOM 1953 CZ2 TRP B 53 -9.382 4.790 -11.732 1.00 0.00 C ATOM 1954 CZ3 TRP B 53 -10.168 4.380 -9.487 1.00 0.00 C ATOM 1955 CH2 TRP B 53 -10.187 4.108 -10.861 1.00 0.00 C ATOM 0 H TRP B 53 -5.813 9.365 -9.656 1.00 0.00 H new ATOM 0 HA TRP B 53 -8.420 9.429 -8.705 1.00 0.00 H new ATOM 0 HB2 TRP B 53 -6.076 7.576 -8.175 1.00 0.00 H new ATOM 0 HB3 TRP B 53 -7.677 7.260 -7.535 1.00 0.00 H new ATOM 0 HD1 TRP B 53 -6.285 8.131 -11.094 1.00 0.00 H new ATOM 0 HE1 TRP B 53 -7.447 6.607 -12.831 1.00 0.00 H new ATOM 0 HE3 TRP B 53 -9.326 5.549 -7.900 1.00 0.00 H new ATOM 0 HZ2 TRP B 53 -9.399 4.580 -12.791 1.00 0.00 H new ATOM 0 HZ3 TRP B 53 -10.818 3.824 -8.827 1.00 0.00 H new ATOM 0 HH2 TRP B 53 -10.850 3.345 -11.240 1.00 0.00 H new ATOM 1966 N PHE B 54 -6.205 10.269 -6.476 1.00 0.00 N ATOM 1967 CA PHE B 54 -6.020 10.789 -5.127 1.00 0.00 C ATOM 1968 C PHE B 54 -5.880 12.310 -5.137 1.00 0.00 C ATOM 1969 O PHE B 54 -6.061 12.963 -4.108 1.00 0.00 O ATOM 1970 CB PHE B 54 -4.788 10.156 -4.480 1.00 0.00 C ATOM 1971 CG PHE B 54 -4.907 8.672 -4.285 1.00 0.00 C ATOM 1972 CD1 PHE B 54 -5.500 8.155 -3.144 1.00 0.00 C ATOM 1973 CD2 PHE B 54 -4.424 7.793 -5.242 1.00 0.00 C ATOM 1974 CE1 PHE B 54 -5.610 6.790 -2.962 1.00 0.00 C ATOM 1975 CE2 PHE B 54 -4.533 6.428 -5.065 1.00 0.00 C ATOM 1976 CZ PHE B 54 -5.127 5.924 -3.924 1.00 0.00 C ATOM 0 H PHE B 54 -5.379 10.338 -7.071 1.00 0.00 H new ATOM 0 HA PHE B 54 -6.904 10.531 -4.543 1.00 0.00 H new ATOM 0 HB2 PHE B 54 -3.915 10.364 -5.099 1.00 0.00 H new ATOM 0 HB3 PHE B 54 -4.613 10.628 -3.513 1.00 0.00 H new ATOM 0 HD1 PHE B 54 -5.880 8.827 -2.389 1.00 0.00 H new ATOM 0 HD2 PHE B 54 -3.957 8.180 -6.136 1.00 0.00 H new ATOM 0 HE1 PHE B 54 -6.073 6.400 -2.068 1.00 0.00 H new ATOM 0 HE2 PHE B 54 -4.154 5.754 -5.819 1.00 0.00 H new ATOM 0 HZ PHE B 54 -5.213 4.857 -3.785 1.00 0.00 H new ATOM 1986 N THR B 55 -5.556 12.872 -6.299 1.00 0.00 N ATOM 1987 CA THR B 55 -5.393 14.314 -6.429 1.00 0.00 C ATOM 1988 C THR B 55 -6.738 14.990 -6.696 1.00 0.00 C ATOM 1989 O THR B 55 -7.040 16.037 -6.125 1.00 0.00 O ATOM 1990 CB THR B 55 -4.389 14.626 -7.543 1.00 0.00 C ATOM 1991 OG1 THR B 55 -3.124 14.942 -6.995 1.00 0.00 O ATOM 1992 CG2 THR B 55 -4.797 15.772 -8.441 1.00 0.00 C ATOM 0 H THR B 55 -5.402 12.350 -7.162 1.00 0.00 H new ATOM 0 HA THR B 55 -5.005 14.711 -5.491 1.00 0.00 H new ATOM 0 HB THR B 55 -4.353 13.721 -8.149 1.00 0.00 H new ATOM 0 HG1 THR B 55 -2.493 15.137 -7.719 1.00 0.00 H new ATOM 0 HG21 THR B 55 -4.033 15.928 -9.202 1.00 0.00 H new ATOM 0 HG22 THR B 55 -5.746 15.537 -8.923 1.00 0.00 H new ATOM 0 HG23 THR B 55 -4.907 16.679 -7.846 1.00 0.00 H new ATOM 2000 N GLU B 56 -7.538 14.384 -7.567 1.00 0.00 N ATOM 2001 CA GLU B 56 -8.848 14.926 -7.909 1.00 0.00 C ATOM 2002 C GLU B 56 -9.735 15.024 -6.672 1.00 0.00 C ATOM 2003 O GLU B 56 -9.708 14.150 -5.806 1.00 0.00 O ATOM 2004 CB GLU B 56 -9.523 14.055 -8.968 1.00 0.00 C ATOM 2005 CG GLU B 56 -8.770 14.007 -10.287 1.00 0.00 C ATOM 2006 CD GLU B 56 -9.496 13.200 -11.345 1.00 0.00 C ATOM 2007 OE1 GLU B 56 -9.469 11.955 -11.265 1.00 0.00 O ATOM 2008 OE2 GLU B 56 -10.093 13.814 -12.255 1.00 0.00 O ATOM 0 H GLU B 56 -7.302 13.517 -8.049 1.00 0.00 H new ATOM 0 HA GLU B 56 -8.705 15.929 -8.312 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -9.626 13.041 -8.581 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -10.530 14.431 -9.148 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -8.618 15.023 -10.651 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -7.782 13.577 -10.122 1.00 0.00 H new ATOM 2015 N ASP B 57 -10.520 16.094 -6.598 1.00 0.00 N ATOM 2016 CA ASP B 57 -11.417 16.306 -5.468 1.00 0.00 C ATOM 2017 C ASP B 57 -12.845 16.561 -5.946 1.00 0.00 C ATOM 2018 O ASP B 57 -13.319 17.697 -5.936 1.00 0.00 O ATOM 2019 CB ASP B 57 -10.933 17.484 -4.619 1.00 0.00 C ATOM 2020 CG ASP B 57 -10.847 18.772 -5.414 1.00 0.00 C ATOM 2021 OD1 ASP B 57 -10.114 18.798 -6.425 1.00 0.00 O ATOM 2022 OD2 ASP B 57 -11.511 19.755 -5.024 1.00 0.00 O ATOM 0 H ASP B 57 -10.553 16.827 -7.307 1.00 0.00 H new ATOM 0 HA ASP B 57 -11.413 15.402 -4.859 1.00 0.00 H new ATOM 0 HB2 ASP B 57 -11.611 17.624 -3.777 1.00 0.00 H new ATOM 0 HB3 ASP B 57 -9.953 17.250 -4.203 1.00 0.00 H new ATOM 2027 N PRO B 58 -13.553 15.501 -6.372 1.00 0.00 N ATOM 2028 CA PRO B 58 -14.932 15.614 -6.856 1.00 0.00 C ATOM 2029 C PRO B 58 -15.834 16.345 -5.866 1.00 0.00 C ATOM 2030 O PRO B 58 -15.798 15.998 -4.667 1.00 0.00 O ATOM 2031 CB PRO B 58 -15.376 14.159 -7.011 1.00 0.00 C ATOM 2032 CG PRO B 58 -14.115 13.397 -7.221 1.00 0.00 C ATOM 2033 CD PRO B 58 -13.064 14.110 -6.417 1.00 0.00 C ATOM 0 HA PRO B 58 -14.994 16.192 -7.778 1.00 0.00 H new ATOM 0 HB2 PRO B 58 -15.906 13.811 -6.124 1.00 0.00 H new ATOM 0 HB3 PRO B 58 -16.055 14.040 -7.855 1.00 0.00 H new ATOM 0 HG2 PRO B 58 -14.224 12.363 -6.892 1.00 0.00 H new ATOM 0 HG3 PRO B 58 -13.847 13.369 -8.277 1.00 0.00 H new ATOM 0 HD2 PRO B 58 -12.966 13.686 -5.418 1.00 0.00 H new ATOM 0 HD3 PRO B 58 -12.084 14.044 -6.889 1.00 0.00 H new TER 2041 PRO B 58