USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1012 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 85 GLN : amide:sc= 0.00619 X(o=0.0062,f=0) USER MOD Set 1.2: A 87 HIS : no HD1:sc= 0 X(o=0.0062,f=-0.17) USER MOD Set 2.1: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 49 GLN : amide:sc= -0.443 X(o=-0.44,f=-0.67) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -3.32! C(o=-3.3!,f=-3.3!) 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 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -85:sc= 0.967! USER MOD Single : A 32 THR OG1 : rot -92:sc= 1.17 USER MOD Single : A 36 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0322) USER MOD Single : A 38 HIS : no HD1:sc= -2.74 K(o=-2.7,f=-1.2) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 50:sc= 0.0202 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 170:sc= 0.142 USER MOD Single : A 54 SER OG : rot 180:sc= 0.021 USER MOD Single : A 55 SER OG : rot -70:sc= -0.116 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -116:sc= -2.23 (180deg=-2.6!) USER MOD Single : A 59 MET CE :methyl 147:sc= -4.8! (180deg=-10.9!) 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+ -166:sc= 0.444 (180deg=0.177) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 177:sc= -0.182 (180deg=-0.196) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 ASN : amide:sc= -1.79 X(o=-1.8,f=-1.4) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl -169:sc= -5.3! (180deg=-5.37!) USER MOD Single : A 90 SER OG : rot -68:sc= 1.35 USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 93 ASN : amide:sc= -1.23 X(o=-1.2,f=-1.1) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl -153:sc= -0.913 (180deg=-2.04) USER MOD Single : A 99 ASN : amide:sc= -0.796 X(o=-0.8,f=-0.31) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 62:sc= 1.04 USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc=-0.00542 K(o=-0.0054,f=-0.51) USER MOD Single : A 109 SER OG : rot 95:sc= 0.162 USER MOD Single : A 111 TYR OH : rot -51:sc= -2.52! USER MOD Single : A 112 LYS NZ :NH3+ -106:sc= -0.0131 (180deg=-0.378) USER MOD Single : B 457 SER OG : rot 180:sc= 0 USER MOD Single : B 460 TYR OH : rot 180:sc= 0 USER MOD Single : B 464 THR OG1 : rot -89:sc= 1.27 USER MOD Single : B 465 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 5.745 15.808 13.557 1.00 0.00 N ATOM 2 CA PRO A 1 4.315 15.394 13.574 1.00 0.00 C ATOM 3 C PRO A 1 3.510 16.091 12.476 1.00 0.00 C ATOM 4 O PRO A 1 2.487 16.722 12.745 1.00 0.00 O ATOM 5 CB PRO A 1 3.753 15.736 14.952 1.00 0.00 C ATOM 6 CG PRO A 1 4.944 16.171 15.738 1.00 0.00 C ATOM 7 CD PRO A 1 5.957 16.667 14.734 1.00 0.00 C ATOM 0 H2 PRO A 1 5.965 16.312 12.698 1.00 0.00 H new ATOM 0 H3 PRO A 1 6.357 14.993 13.590 1.00 0.00 H new ATOM 0 HA PRO A 1 4.241 14.324 13.381 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.006 16.527 14.892 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.268 14.873 15.409 1.00 0.00 H new ATOM 0 HG2 PRO A 1 4.678 16.958 16.443 1.00 0.00 H new ATOM 0 HG3 PRO A 1 5.348 15.344 16.322 1.00 0.00 H new ATOM 0 HD2 PRO A 1 5.799 17.718 14.494 1.00 0.00 H new ATOM 0 HD3 PRO A 1 6.974 16.577 15.116 1.00 0.00 H new ATOM 17 N SER A 2 3.980 15.971 11.239 1.00 0.00 N ATOM 18 CA SER A 2 3.306 16.588 10.102 1.00 0.00 C ATOM 19 C SER A 2 2.541 15.546 9.293 1.00 0.00 C ATOM 20 O SER A 2 1.310 15.548 9.266 1.00 0.00 O ATOM 21 CB SER A 2 4.320 17.302 9.207 1.00 0.00 C ATOM 22 OG SER A 2 3.781 18.501 8.680 1.00 0.00 O ATOM 0 H SER A 2 4.825 15.452 10.998 1.00 0.00 H new ATOM 0 HA SER A 2 2.594 17.318 10.486 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.221 17.525 9.779 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.616 16.643 8.391 1.00 0.00 H new ATOM 0 HG SER A 2 4.450 18.939 8.113 1.00 0.00 H new ATOM 28 N HIS A 3 3.277 14.657 8.635 1.00 0.00 N ATOM 29 CA HIS A 3 2.668 13.609 7.825 1.00 0.00 C ATOM 30 C HIS A 3 1.999 12.560 8.707 1.00 0.00 C ATOM 31 O HIS A 3 2.672 11.750 9.345 1.00 0.00 O ATOM 32 CB HIS A 3 3.720 12.947 6.934 1.00 0.00 C ATOM 33 CG HIS A 3 4.595 13.925 6.213 1.00 0.00 C ATOM 34 ND1 HIS A 3 4.265 15.254 6.051 1.00 0.00 N ATOM 35 CD2 HIS A 3 5.797 13.762 5.611 1.00 0.00 C ATOM 36 CE1 HIS A 3 5.224 15.866 5.379 1.00 0.00 C ATOM 37 NE2 HIS A 3 6.165 14.983 5.101 1.00 0.00 N ATOM 0 H HIS A 3 4.297 14.641 8.647 1.00 0.00 H new ATOM 0 HA HIS A 3 1.906 14.068 7.195 1.00 0.00 H new ATOM 0 HB2 HIS A 3 4.344 12.296 7.546 1.00 0.00 H new ATOM 0 HB3 HIS A 3 3.218 12.313 6.203 1.00 0.00 H new ATOM 0 HD2 HIS A 3 6.361 12.843 5.544 1.00 0.00 H new ATOM 0 HE1 HIS A 3 5.236 16.910 5.104 1.00 0.00 H new ATOM 0 HE2 HIS A 3 7.026 15.176 4.590 1.00 0.00 H new ATOM 46 N SER A 4 0.670 12.580 8.739 1.00 0.00 N ATOM 47 CA SER A 4 -0.090 11.630 9.543 1.00 0.00 C ATOM 48 C SER A 4 -1.503 11.462 8.995 1.00 0.00 C ATOM 49 O SER A 4 -1.949 12.239 8.151 1.00 0.00 O ATOM 50 CB SER A 4 -0.146 12.094 10.999 1.00 0.00 C ATOM 51 OG SER A 4 -0.830 13.330 11.115 1.00 0.00 O ATOM 0 H SER A 4 0.097 13.244 8.217 1.00 0.00 H new ATOM 0 HA SER A 4 0.415 10.665 9.496 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.647 11.339 11.605 1.00 0.00 H new ATOM 0 HB3 SER A 4 0.866 12.197 11.390 1.00 0.00 H new ATOM 0 HG SER A 4 -0.854 13.604 12.056 1.00 0.00 H new ATOM 57 N GLY A 5 -2.202 10.442 9.482 1.00 0.00 N ATOM 58 CA GLY A 5 -3.558 10.190 9.030 1.00 0.00 C ATOM 59 C GLY A 5 -4.055 8.813 9.425 1.00 0.00 C ATOM 60 O GLY A 5 -3.296 7.843 9.408 1.00 0.00 O ATOM 0 H GLY A 5 -1.854 9.786 10.181 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.223 10.946 9.447 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.601 10.291 7.946 1.00 0.00 H new ATOM 64 N ALA A 6 -5.332 8.727 9.783 1.00 0.00 N ATOM 65 CA ALA A 6 -5.929 7.459 10.185 1.00 0.00 C ATOM 66 C ALA A 6 -5.839 6.430 9.064 1.00 0.00 C ATOM 67 O ALA A 6 -6.204 6.708 7.922 1.00 0.00 O ATOM 68 CB ALA A 6 -7.378 7.667 10.599 1.00 0.00 C ATOM 0 H ALA A 6 -5.973 9.520 9.803 1.00 0.00 H new ATOM 0 HA ALA A 6 -5.370 7.076 11.039 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.812 6.712 10.897 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.421 8.362 11.437 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -7.941 8.075 9.760 1.00 0.00 H new ATOM 74 N ALA A 7 -5.351 5.240 9.398 1.00 0.00 N ATOM 75 CA ALA A 7 -5.213 4.168 8.420 1.00 0.00 C ATOM 76 C ALA A 7 -5.612 2.823 9.019 1.00 0.00 C ATOM 77 O ALA A 7 -4.968 2.330 9.945 1.00 0.00 O ATOM 78 CB ALA A 7 -3.786 4.112 7.896 1.00 0.00 C ATOM 0 H ALA A 7 -5.044 4.994 10.339 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.886 4.380 7.589 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -3.698 3.307 7.167 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.535 5.061 7.422 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.101 3.928 8.724 1.00 0.00 H new ATOM 84 N ILE A 8 -6.678 2.236 8.485 1.00 0.00 N ATOM 85 CA ILE A 8 -7.163 0.947 8.967 1.00 0.00 C ATOM 86 C ILE A 8 -6.704 -0.186 8.058 1.00 0.00 C ATOM 87 O ILE A 8 -7.034 -0.219 6.873 1.00 0.00 O ATOM 88 CB ILE A 8 -8.701 0.918 9.059 1.00 0.00 C ATOM 89 CG1 ILE A 8 -9.227 2.220 9.668 1.00 0.00 C ATOM 90 CG2 ILE A 8 -9.160 -0.278 9.880 1.00 0.00 C ATOM 91 CD1 ILE A 8 -9.376 3.340 8.662 1.00 0.00 C ATOM 0 H ILE A 8 -7.223 2.632 7.719 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.744 0.808 9.964 1.00 0.00 H new ATOM 0 HB ILE A 8 -9.106 0.822 8.052 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -10.194 2.029 10.133 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -8.550 2.541 10.460 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -10.249 -0.285 9.936 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.815 -1.198 9.407 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -8.745 -0.210 10.886 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -9.753 4.232 9.163 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -8.407 3.558 8.214 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -10.076 3.038 7.883 1.00 0.00 H new ATOM 103 N PHE A 9 -5.946 -1.118 8.624 1.00 0.00 N ATOM 104 CA PHE A 9 -5.447 -2.259 7.868 1.00 0.00 C ATOM 105 C PHE A 9 -6.260 -3.505 8.194 1.00 0.00 C ATOM 106 O PHE A 9 -6.235 -3.996 9.323 1.00 0.00 O ATOM 107 CB PHE A 9 -3.969 -2.501 8.179 1.00 0.00 C ATOM 108 CG PHE A 9 -3.372 -3.647 7.413 1.00 0.00 C ATOM 109 CD1 PHE A 9 -3.629 -3.802 6.059 1.00 0.00 C ATOM 110 CD2 PHE A 9 -2.555 -4.570 8.046 1.00 0.00 C ATOM 111 CE1 PHE A 9 -3.081 -4.855 5.352 1.00 0.00 C ATOM 112 CE2 PHE A 9 -2.005 -5.626 7.343 1.00 0.00 C ATOM 113 CZ PHE A 9 -2.268 -5.768 5.995 1.00 0.00 C ATOM 0 H PHE A 9 -5.664 -1.105 9.604 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.549 -2.040 6.805 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.407 -1.594 7.957 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.858 -2.691 9.246 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.265 -3.092 5.551 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.346 -4.463 9.100 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.288 -4.964 4.298 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.370 -6.339 7.848 1.00 0.00 H new ATOM 0 HZ PHE A 9 -1.839 -6.592 5.444 1.00 0.00 H new ATOM 123 N GLU A 10 -6.989 -4.009 7.202 1.00 0.00 N ATOM 124 CA GLU A 10 -7.823 -5.197 7.379 1.00 0.00 C ATOM 125 C GLU A 10 -9.079 -4.883 8.196 1.00 0.00 C ATOM 126 O GLU A 10 -10.181 -5.291 7.829 1.00 0.00 O ATOM 127 CB GLU A 10 -7.027 -6.322 8.049 1.00 0.00 C ATOM 128 CG GLU A 10 -6.884 -7.562 7.182 1.00 0.00 C ATOM 129 CD GLU A 10 -5.805 -8.502 7.682 1.00 0.00 C ATOM 130 OE1 GLU A 10 -4.858 -8.023 8.340 1.00 0.00 O ATOM 131 OE2 GLU A 10 -5.907 -9.718 7.416 1.00 0.00 O ATOM 0 H GLU A 10 -7.020 -3.612 6.263 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.137 -5.527 6.389 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -6.035 -5.951 8.306 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.516 -6.596 8.984 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.836 -8.091 7.152 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.654 -7.262 6.160 1.00 0.00 H new ATOM 138 N LYS A 11 -8.914 -4.159 9.303 1.00 0.00 N ATOM 139 CA LYS A 11 -10.045 -3.803 10.155 1.00 0.00 C ATOM 140 C LYS A 11 -9.599 -2.957 11.346 1.00 0.00 C ATOM 141 O LYS A 11 -10.345 -2.100 11.821 1.00 0.00 O ATOM 142 CB LYS A 11 -10.752 -5.066 10.653 1.00 0.00 C ATOM 143 CG LYS A 11 -9.824 -6.048 11.349 1.00 0.00 C ATOM 144 CD LYS A 11 -10.603 -7.155 12.040 1.00 0.00 C ATOM 145 CE LYS A 11 -9.696 -8.020 12.901 1.00 0.00 C ATOM 146 NZ LYS A 11 -9.219 -9.226 12.168 1.00 0.00 N ATOM 0 H LYS A 11 -8.013 -3.810 9.628 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.739 -3.212 9.557 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -11.547 -4.780 11.342 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -11.227 -5.564 9.808 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.140 -6.483 10.620 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.215 -5.518 12.081 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.386 -6.718 12.659 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.097 -7.775 11.292 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.839 -7.432 13.230 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.233 -8.329 13.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.604 -9.789 12.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.035 -9.800 11.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.684 -8.932 11.326 1.00 0.00 H new ATOM 160 N VAL A 12 -8.385 -3.202 11.829 1.00 0.00 N ATOM 161 CA VAL A 12 -7.852 -2.462 12.967 1.00 0.00 C ATOM 162 C VAL A 12 -7.745 -0.974 12.655 1.00 0.00 C ATOM 163 O VAL A 12 -7.123 -0.577 11.671 1.00 0.00 O ATOM 164 CB VAL A 12 -6.467 -2.993 13.386 1.00 0.00 C ATOM 165 CG1 VAL A 12 -5.931 -2.222 14.584 1.00 0.00 C ATOM 166 CG2 VAL A 12 -6.543 -4.479 13.695 1.00 0.00 C ATOM 0 H VAL A 12 -7.752 -3.907 11.450 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.550 -2.606 13.792 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.777 -2.846 12.555 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.953 -2.615 14.861 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.839 -1.167 14.326 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.617 -2.331 15.424 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.558 -4.840 13.989 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.249 -4.646 14.509 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.877 -5.018 12.809 1.00 0.00 H new ATOM 176 N SER A 13 -8.354 -0.158 13.506 1.00 0.00 N ATOM 177 CA SER A 13 -8.329 1.289 13.330 1.00 0.00 C ATOM 178 C SER A 13 -7.106 1.897 14.007 1.00 0.00 C ATOM 179 O SER A 13 -7.020 1.940 15.234 1.00 0.00 O ATOM 180 CB SER A 13 -9.604 1.916 13.897 1.00 0.00 C ATOM 181 OG SER A 13 -10.738 1.116 13.608 1.00 0.00 O ATOM 0 H SER A 13 -8.872 -0.474 14.326 1.00 0.00 H new ATOM 0 HA SER A 13 -8.274 1.499 12.262 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.505 2.036 14.976 1.00 0.00 H new ATOM 0 HB3 SER A 13 -9.741 2.912 13.477 1.00 0.00 H new ATOM 0 HG SER A 13 -11.540 1.537 13.982 1.00 0.00 H new ATOM 187 N GLY A 14 -6.161 2.366 13.199 1.00 0.00 N ATOM 188 CA GLY A 14 -4.954 2.965 13.738 1.00 0.00 C ATOM 189 C GLY A 14 -4.536 4.210 12.983 1.00 0.00 C ATOM 190 O GLY A 14 -5.070 4.505 11.914 1.00 0.00 O ATOM 0 H GLY A 14 -6.209 2.342 12.180 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.114 3.217 14.786 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.145 2.236 13.705 1.00 0.00 H new ATOM 194 N ILE A 15 -3.579 4.944 13.541 1.00 0.00 N ATOM 195 CA ILE A 15 -3.088 6.165 12.914 1.00 0.00 C ATOM 196 C ILE A 15 -1.712 5.945 12.296 1.00 0.00 C ATOM 197 O ILE A 15 -0.815 5.395 12.935 1.00 0.00 O ATOM 198 CB ILE A 15 -3.004 7.325 13.925 1.00 0.00 C ATOM 199 CG1 ILE A 15 -4.271 7.382 14.781 1.00 0.00 C ATOM 200 CG2 ILE A 15 -2.789 8.645 13.200 1.00 0.00 C ATOM 201 CD1 ILE A 15 -5.543 7.512 13.972 1.00 0.00 C ATOM 0 H ILE A 15 -3.128 4.714 14.427 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.800 6.428 12.132 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.153 7.150 14.583 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.329 6.480 15.391 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.199 8.226 15.467 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.732 9.455 13.928 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.860 8.601 12.632 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.621 8.826 12.520 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.400 7.546 14.645 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.507 8.428 13.383 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.639 6.655 13.305 1.00 0.00 H new ATOM 213 N ILE A 16 -1.551 6.376 11.049 1.00 0.00 N ATOM 214 CA ILE A 16 -0.283 6.224 10.348 1.00 0.00 C ATOM 215 C ILE A 16 0.504 7.533 10.350 1.00 0.00 C ATOM 216 O ILE A 16 -0.072 8.615 10.230 1.00 0.00 O ATOM 217 CB ILE A 16 -0.501 5.732 8.894 1.00 0.00 C ATOM 218 CG1 ILE A 16 0.468 4.595 8.568 1.00 0.00 C ATOM 219 CG2 ILE A 16 -0.345 6.867 7.888 1.00 0.00 C ATOM 220 CD1 ILE A 16 -0.114 3.554 7.636 1.00 0.00 C ATOM 0 H ILE A 16 -2.283 6.833 10.504 1.00 0.00 H new ATOM 0 HA ILE A 16 0.297 5.470 10.881 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.523 5.361 8.818 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.368 5.013 8.116 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.773 4.111 9.496 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.505 6.484 6.880 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.078 7.645 8.101 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.659 7.284 7.963 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.628 2.778 7.448 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.997 3.108 8.094 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.393 4.025 6.693 1.00 0.00 H new ATOM 232 N ALA A 17 1.821 7.427 10.488 1.00 0.00 N ATOM 233 CA ALA A 17 2.684 8.601 10.505 1.00 0.00 C ATOM 234 C ALA A 17 3.989 8.334 9.764 1.00 0.00 C ATOM 235 O ALA A 17 4.714 7.392 10.083 1.00 0.00 O ATOM 236 CB ALA A 17 2.967 9.026 11.938 1.00 0.00 C ATOM 0 H ALA A 17 2.314 6.540 10.590 1.00 0.00 H new ATOM 0 HA ALA A 17 2.165 9.411 9.992 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.613 9.904 11.936 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.029 9.266 12.438 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.462 8.212 12.468 1.00 0.00 H new ATOM 242 N ILE A 18 4.282 9.170 8.773 1.00 0.00 N ATOM 243 CA ILE A 18 5.501 9.023 7.988 1.00 0.00 C ATOM 244 C ILE A 18 6.656 9.793 8.619 1.00 0.00 C ATOM 245 O ILE A 18 6.501 10.947 9.017 1.00 0.00 O ATOM 246 CB ILE A 18 5.301 9.513 6.541 1.00 0.00 C ATOM 247 CG1 ILE A 18 4.038 8.896 5.940 1.00 0.00 C ATOM 248 CG2 ILE A 18 6.519 9.174 5.694 1.00 0.00 C ATOM 249 CD1 ILE A 18 3.771 9.333 4.516 1.00 0.00 C ATOM 0 H ILE A 18 3.693 9.955 8.495 1.00 0.00 H new ATOM 0 HA ILE A 18 5.741 7.960 7.973 1.00 0.00 H new ATOM 0 HB ILE A 18 5.182 10.596 6.553 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.125 7.810 5.968 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.182 9.163 6.560 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.363 9.526 4.674 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.401 9.658 6.114 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.667 8.094 5.686 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.860 8.857 4.154 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.652 10.416 4.484 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.609 9.042 3.883 1.00 0.00 H new ATOM 261 N ASN A 19 7.812 9.145 8.707 1.00 0.00 N ATOM 262 CA ASN A 19 8.995 9.768 9.291 1.00 0.00 C ATOM 263 C ASN A 19 10.068 9.995 8.232 1.00 0.00 C ATOM 264 O ASN A 19 10.544 9.050 7.603 1.00 0.00 O ATOM 265 CB ASN A 19 9.551 8.897 10.418 1.00 0.00 C ATOM 266 CG ASN A 19 8.920 9.215 11.759 1.00 0.00 C ATOM 267 OD1 ASN A 19 7.721 9.476 11.848 1.00 0.00 O ATOM 268 ND2 ASN A 19 9.728 9.193 12.813 1.00 0.00 N ATOM 0 H ASN A 19 7.956 8.189 8.382 1.00 0.00 H new ATOM 0 HA ASN A 19 8.702 10.735 9.699 1.00 0.00 H new ATOM 0 HB2 ASN A 19 9.381 7.847 10.180 1.00 0.00 H new ATOM 0 HB3 ASN A 19 10.630 9.038 10.484 1.00 0.00 H new ATOM 0 HD21 ASN A 19 9.360 9.398 13.742 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.716 8.971 12.693 1.00 0.00 H new ATOM 275 N GLU A 20 10.444 11.256 8.039 1.00 0.00 N ATOM 276 CA GLU A 20 11.461 11.608 7.056 1.00 0.00 C ATOM 277 C GLU A 20 12.802 11.882 7.732 1.00 0.00 C ATOM 278 O GLU A 20 13.627 12.634 7.212 1.00 0.00 O ATOM 279 CB GLU A 20 11.022 12.834 6.253 1.00 0.00 C ATOM 280 CG GLU A 20 10.197 12.491 5.024 1.00 0.00 C ATOM 281 CD GLU A 20 11.048 12.312 3.782 1.00 0.00 C ATOM 282 OE1 GLU A 20 11.357 13.327 3.123 1.00 0.00 O ATOM 283 OE2 GLU A 20 11.406 11.157 3.469 1.00 0.00 O ATOM 0 H GLU A 20 10.059 12.050 8.551 1.00 0.00 H new ATOM 0 HA GLU A 20 11.582 10.763 6.379 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.441 13.492 6.899 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.906 13.391 5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.637 11.575 5.211 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.467 13.281 4.849 1.00 0.00 H new ATOM 290 N ASP A 21 13.014 11.266 8.891 1.00 0.00 N ATOM 291 CA ASP A 21 14.257 11.444 9.633 1.00 0.00 C ATOM 292 C ASP A 21 15.346 10.527 9.089 1.00 0.00 C ATOM 293 O ASP A 21 16.528 10.872 9.101 1.00 0.00 O ATOM 294 CB ASP A 21 14.032 11.163 11.120 1.00 0.00 C ATOM 295 CG ASP A 21 13.458 12.359 11.854 1.00 0.00 C ATOM 296 OD1 ASP A 21 12.777 13.182 11.207 1.00 0.00 O ATOM 297 OD2 ASP A 21 13.690 12.473 13.076 1.00 0.00 O ATOM 0 H ASP A 21 12.342 10.640 9.336 1.00 0.00 H new ATOM 0 HA ASP A 21 14.581 12.478 9.512 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.356 10.315 11.228 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.978 10.877 11.580 1.00 0.00 H new ATOM 302 N VAL A 22 14.938 9.357 8.610 1.00 0.00 N ATOM 303 CA VAL A 22 15.875 8.387 8.057 1.00 0.00 C ATOM 304 C VAL A 22 15.888 8.452 6.532 1.00 0.00 C ATOM 305 O VAL A 22 14.870 8.750 5.906 1.00 0.00 O ATOM 306 CB VAL A 22 15.530 6.955 8.515 1.00 0.00 C ATOM 307 CG1 VAL A 22 14.179 6.522 7.964 1.00 0.00 C ATOM 308 CG2 VAL A 22 16.622 5.977 8.108 1.00 0.00 C ATOM 0 H VAL A 22 13.963 9.057 8.594 1.00 0.00 H new ATOM 0 HA VAL A 22 16.867 8.642 8.430 1.00 0.00 H new ATOM 0 HB VAL A 22 15.467 6.954 9.603 1.00 0.00 H new ATOM 0 HG11 VAL A 22 13.957 5.509 8.300 1.00 0.00 H new ATOM 0 HG12 VAL A 22 13.405 7.201 8.322 1.00 0.00 H new ATOM 0 HG13 VAL A 22 14.206 6.545 6.875 1.00 0.00 H new ATOM 0 HG21 VAL A 22 16.355 4.974 8.442 1.00 0.00 H new ATOM 0 HG22 VAL A 22 16.729 5.982 7.023 1.00 0.00 H new ATOM 0 HG23 VAL A 22 17.565 6.274 8.567 1.00 0.00 H new ATOM 318 N SER A 23 17.049 8.186 5.941 1.00 0.00 N ATOM 319 CA SER A 23 17.201 8.227 4.487 1.00 0.00 C ATOM 320 C SER A 23 16.105 7.425 3.781 1.00 0.00 C ATOM 321 O SER A 23 15.277 7.992 3.069 1.00 0.00 O ATOM 322 CB SER A 23 18.581 7.703 4.082 1.00 0.00 C ATOM 323 OG SER A 23 19.520 8.760 3.986 1.00 0.00 O ATOM 0 H SER A 23 17.900 7.939 6.446 1.00 0.00 H new ATOM 0 HA SER A 23 17.106 9.267 4.175 1.00 0.00 H new ATOM 0 HB2 SER A 23 18.925 6.972 4.814 1.00 0.00 H new ATOM 0 HB3 SER A 23 18.511 7.187 3.125 1.00 0.00 H new ATOM 0 HG SER A 23 20.394 8.399 3.728 1.00 0.00 H new ATOM 329 N PRO A 24 16.086 6.091 3.963 1.00 0.00 N ATOM 330 CA PRO A 24 15.084 5.222 3.332 1.00 0.00 C ATOM 331 C PRO A 24 13.655 5.562 3.751 1.00 0.00 C ATOM 332 O PRO A 24 12.696 5.127 3.115 1.00 0.00 O ATOM 333 CB PRO A 24 15.462 3.816 3.816 1.00 0.00 C ATOM 334 CG PRO A 24 16.303 4.035 5.027 1.00 0.00 C ATOM 335 CD PRO A 24 17.033 5.325 4.789 1.00 0.00 C ATOM 0 HA PRO A 24 15.091 5.331 2.247 1.00 0.00 H new ATOM 0 HB2 PRO A 24 14.575 3.229 4.053 1.00 0.00 H new ATOM 0 HB3 PRO A 24 16.010 3.269 3.049 1.00 0.00 H new ATOM 0 HG2 PRO A 24 15.688 4.093 5.925 1.00 0.00 H new ATOM 0 HG3 PRO A 24 17.002 3.211 5.172 1.00 0.00 H new ATOM 0 HD2 PRO A 24 17.261 5.838 5.723 1.00 0.00 H new ATOM 0 HD3 PRO A 24 17.980 5.164 4.274 1.00 0.00 H new ATOM 343 N ALA A 25 13.516 6.337 4.824 1.00 0.00 N ATOM 344 CA ALA A 25 12.199 6.725 5.320 1.00 0.00 C ATOM 345 C ALA A 25 11.410 5.505 5.783 1.00 0.00 C ATOM 346 O ALA A 25 11.685 4.381 5.364 1.00 0.00 O ATOM 347 CB ALA A 25 11.429 7.479 4.245 1.00 0.00 C ATOM 0 H ALA A 25 14.297 6.708 5.365 1.00 0.00 H new ATOM 0 HA ALA A 25 12.339 7.384 6.177 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.449 7.762 4.630 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.981 8.376 3.964 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.305 6.840 3.371 1.00 0.00 H new ATOM 353 N GLU A 26 10.428 5.732 6.651 1.00 0.00 N ATOM 354 CA GLU A 26 9.604 4.646 7.169 1.00 0.00 C ATOM 355 C GLU A 26 8.192 5.128 7.488 1.00 0.00 C ATOM 356 O GLU A 26 7.941 6.329 7.585 1.00 0.00 O ATOM 357 CB GLU A 26 10.245 4.049 8.424 1.00 0.00 C ATOM 358 CG GLU A 26 11.218 2.918 8.131 1.00 0.00 C ATOM 359 CD GLU A 26 12.470 2.993 8.983 1.00 0.00 C ATOM 360 OE1 GLU A 26 12.382 2.704 10.195 1.00 0.00 O ATOM 361 OE2 GLU A 26 13.539 3.339 8.437 1.00 0.00 O ATOM 0 H GLU A 26 10.185 6.656 7.009 1.00 0.00 H new ATOM 0 HA GLU A 26 9.537 3.879 6.398 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.769 4.837 8.964 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.459 3.680 9.083 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.722 1.963 8.303 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.497 2.947 7.078 1.00 0.00 H new ATOM 368 N LEU A 27 7.276 4.179 7.652 1.00 0.00 N ATOM 369 CA LEU A 27 5.886 4.496 7.963 1.00 0.00 C ATOM 370 C LEU A 27 5.472 3.851 9.283 1.00 0.00 C ATOM 371 O LEU A 27 5.500 2.629 9.424 1.00 0.00 O ATOM 372 CB LEU A 27 4.970 4.017 6.833 1.00 0.00 C ATOM 373 CG LEU A 27 3.472 4.098 7.132 1.00 0.00 C ATOM 374 CD1 LEU A 27 2.693 4.445 5.872 1.00 0.00 C ATOM 375 CD2 LEU A 27 2.977 2.787 7.727 1.00 0.00 C ATOM 0 H LEU A 27 7.472 3.181 7.574 1.00 0.00 H new ATOM 0 HA LEU A 27 5.792 5.577 8.061 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.179 4.609 5.942 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.222 2.983 6.596 1.00 0.00 H new ATOM 0 HG LEU A 27 3.308 4.890 7.863 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.629 4.498 6.105 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.029 5.409 5.490 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.861 3.677 5.117 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.909 2.861 7.934 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.154 1.977 7.020 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.513 2.583 8.654 1.00 0.00 H new ATOM 387 N THR A 28 5.089 4.681 10.248 1.00 0.00 N ATOM 388 CA THR A 28 4.671 4.191 11.556 1.00 0.00 C ATOM 389 C THR A 28 3.151 4.105 11.647 1.00 0.00 C ATOM 390 O THR A 28 2.443 5.031 11.253 1.00 0.00 O ATOM 391 CB THR A 28 5.208 5.102 12.661 1.00 0.00 C ATOM 392 OG1 THR A 28 6.506 5.569 12.338 1.00 0.00 O ATOM 393 CG2 THR A 28 5.288 4.423 14.011 1.00 0.00 C ATOM 0 H THR A 28 5.060 5.696 10.149 1.00 0.00 H new ATOM 0 HA THR A 28 5.081 3.190 11.688 1.00 0.00 H new ATOM 0 HB THR A 28 4.496 5.925 12.728 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.832 6.151 13.056 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.677 5.125 14.749 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.294 4.094 14.312 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.952 3.561 13.946 1.00 0.00 H new ATOM 401 N TRP A 29 2.656 2.988 12.169 1.00 0.00 N ATOM 402 CA TRP A 29 1.219 2.781 12.313 1.00 0.00 C ATOM 403 C TRP A 29 0.884 2.253 13.705 1.00 0.00 C ATOM 404 O TRP A 29 1.192 1.109 14.036 1.00 0.00 O ATOM 405 CB TRP A 29 0.715 1.806 11.244 1.00 0.00 C ATOM 406 CG TRP A 29 -0.738 1.463 11.383 1.00 0.00 C ATOM 407 CD1 TRP A 29 -1.798 2.313 11.250 1.00 0.00 C ATOM 408 CD2 TRP A 29 -1.289 0.176 11.683 1.00 0.00 C ATOM 409 NE1 TRP A 29 -2.975 1.633 11.449 1.00 0.00 N ATOM 410 CE2 TRP A 29 -2.689 0.319 11.717 1.00 0.00 C ATOM 411 CE3 TRP A 29 -0.736 -1.084 11.926 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -3.542 -0.750 11.983 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -1.583 -2.144 12.191 1.00 0.00 C ATOM 414 CH2 TRP A 29 -2.972 -1.971 12.217 1.00 0.00 C ATOM 0 H TRP A 29 3.229 2.211 12.500 1.00 0.00 H new ATOM 0 HA TRP A 29 0.720 3.741 12.181 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.885 2.240 10.259 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.303 0.889 11.294 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -1.722 3.366 11.022 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.909 2.039 11.405 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.334 -1.227 11.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -4.614 -0.619 12.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.166 -3.122 12.381 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -3.607 -2.819 12.426 1.00 0.00 H new ATOM 425 N ARG A 30 0.252 3.096 14.515 1.00 0.00 N ATOM 426 CA ARG A 30 -0.125 2.715 15.871 1.00 0.00 C ATOM 427 C ARG A 30 -1.642 2.638 16.013 1.00 0.00 C ATOM 428 O ARG A 30 -2.364 3.522 15.551 1.00 0.00 O ATOM 429 CB ARG A 30 0.443 3.715 16.881 1.00 0.00 C ATOM 430 CG ARG A 30 -0.125 5.117 16.734 1.00 0.00 C ATOM 431 CD ARG A 30 0.906 6.176 17.090 1.00 0.00 C ATOM 432 NE ARG A 30 0.286 7.464 17.391 1.00 0.00 N ATOM 433 CZ ARG A 30 0.941 8.623 17.381 1.00 0.00 C ATOM 434 NH1 ARG A 30 2.235 8.659 17.086 1.00 0.00 N ATOM 435 NH2 ARG A 30 0.301 9.748 17.667 1.00 0.00 N ATOM 0 H ARG A 30 -0.010 4.047 14.256 1.00 0.00 H new ATOM 0 HA ARG A 30 0.291 1.728 16.073 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.241 3.354 17.890 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.526 3.757 16.768 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.464 5.268 15.709 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -0.998 5.226 17.378 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.486 5.843 17.951 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.605 6.295 16.262 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.707 7.476 17.622 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.732 7.796 16.866 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.732 9.550 17.080 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.693 9.726 17.895 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.803 10.636 17.659 1.00 0.00 H new ATOM 449 N SER A 31 -2.118 1.576 16.655 1.00 0.00 N ATOM 450 CA SER A 31 -3.549 1.384 16.858 1.00 0.00 C ATOM 451 C SER A 31 -4.140 2.527 17.677 1.00 0.00 C ATOM 452 O SER A 31 -3.525 3.002 18.632 1.00 0.00 O ATOM 453 CB SER A 31 -3.812 0.050 17.558 1.00 0.00 C ATOM 454 OG SER A 31 -2.710 -0.330 18.364 1.00 0.00 O ATOM 0 H SER A 31 -1.534 0.836 17.043 1.00 0.00 H new ATOM 0 HA SER A 31 -4.031 1.374 15.881 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.707 0.130 18.175 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.006 -0.723 16.814 1.00 0.00 H new ATOM 0 HG SER A 31 -2.051 -0.803 17.815 1.00 0.00 H new ATOM 460 N THR A 32 -5.337 2.964 17.298 1.00 0.00 N ATOM 461 CA THR A 32 -6.011 4.051 17.998 1.00 0.00 C ATOM 462 C THR A 32 -6.254 3.689 19.460 1.00 0.00 C ATOM 463 O THR A 32 -5.744 4.347 20.366 1.00 0.00 O ATOM 464 CB THR A 32 -7.339 4.382 17.315 1.00 0.00 C ATOM 465 OG1 THR A 32 -8.153 3.227 17.215 1.00 0.00 O ATOM 466 CG2 THR A 32 -7.170 4.948 15.921 1.00 0.00 C ATOM 0 H THR A 32 -5.860 2.582 16.510 1.00 0.00 H new ATOM 0 HA THR A 32 -5.364 4.928 17.962 1.00 0.00 H new ATOM 0 HB THR A 32 -7.806 5.141 17.943 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.994 2.788 16.353 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.150 5.161 15.493 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.588 5.868 15.970 1.00 0.00 H new ATOM 0 HG23 THR A 32 -6.650 4.223 15.294 1.00 0.00 H new ATOM 474 N ASP A 33 -7.038 2.638 19.681 1.00 0.00 N ATOM 475 CA ASP A 33 -7.350 2.188 21.032 1.00 0.00 C ATOM 476 C ASP A 33 -6.933 0.734 21.231 1.00 0.00 C ATOM 477 O ASP A 33 -7.687 -0.187 20.916 1.00 0.00 O ATOM 478 CB ASP A 33 -8.846 2.344 21.312 1.00 0.00 C ATOM 479 CG ASP A 33 -9.320 3.775 21.142 1.00 0.00 C ATOM 480 OD1 ASP A 33 -8.997 4.613 22.010 1.00 0.00 O ATOM 481 OD2 ASP A 33 -10.014 4.056 20.143 1.00 0.00 O ATOM 0 H ASP A 33 -7.468 2.083 18.942 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.790 2.807 21.732 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.408 1.696 20.640 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.059 2.012 22.328 1.00 0.00 H new ATOM 486 N GLY A 34 -5.728 0.536 21.755 1.00 0.00 N ATOM 487 CA GLY A 34 -5.232 -0.807 21.987 1.00 0.00 C ATOM 488 C GLY A 34 -3.774 -0.824 22.401 1.00 0.00 C ATOM 489 O GLY A 34 -3.403 -0.233 23.415 1.00 0.00 O ATOM 0 H GLY A 34 -5.086 1.282 22.023 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.832 -1.284 22.762 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.356 -1.398 21.080 1.00 0.00 H new ATOM 493 N ASP A 35 -2.946 -1.504 21.615 1.00 0.00 N ATOM 494 CA ASP A 35 -1.520 -1.596 21.906 1.00 0.00 C ATOM 495 C ASP A 35 -0.787 -2.351 20.801 1.00 0.00 C ATOM 496 O ASP A 35 0.142 -3.115 21.068 1.00 0.00 O ATOM 497 CB ASP A 35 -1.296 -2.291 23.250 1.00 0.00 C ATOM 498 CG ASP A 35 -0.097 -1.737 23.995 1.00 0.00 C ATOM 499 OD1 ASP A 35 -0.150 -0.561 24.413 1.00 0.00 O ATOM 500 OD2 ASP A 35 0.894 -2.479 24.160 1.00 0.00 O ATOM 0 H ASP A 35 -3.238 -1.999 20.772 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.119 -0.584 21.957 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.187 -2.178 23.867 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.156 -3.359 23.085 1.00 0.00 H new ATOM 505 N LYS A 36 -1.210 -2.133 19.561 1.00 0.00 N ATOM 506 CA LYS A 36 -0.594 -2.792 18.415 1.00 0.00 C ATOM 507 C LYS A 36 -0.056 -1.767 17.422 1.00 0.00 C ATOM 508 O LYS A 36 -0.811 -0.964 16.873 1.00 0.00 O ATOM 509 CB LYS A 36 -1.606 -3.708 17.722 1.00 0.00 C ATOM 510 CG LYS A 36 -1.618 -5.125 18.271 1.00 0.00 C ATOM 511 CD LYS A 36 -2.610 -5.271 19.413 1.00 0.00 C ATOM 512 CE LYS A 36 -2.067 -6.171 20.512 1.00 0.00 C ATOM 513 NZ LYS A 36 -1.775 -7.543 20.013 1.00 0.00 N ATOM 0 H LYS A 36 -1.978 -1.505 19.323 1.00 0.00 H new ATOM 0 HA LYS A 36 0.240 -3.392 18.778 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.603 -3.279 17.825 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.382 -3.742 16.656 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.874 -5.823 17.474 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.620 -5.390 18.619 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.838 -4.288 19.826 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.545 -5.682 19.033 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.157 -5.733 20.923 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.790 -6.227 21.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -1.537 -8.161 20.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -2.611 -7.919 19.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.972 -7.509 19.353 1.00 0.00 H new ATOM 527 N VAL A 37 1.253 -1.800 17.197 1.00 0.00 N ATOM 528 CA VAL A 37 1.892 -0.874 16.270 1.00 0.00 C ATOM 529 C VAL A 37 2.961 -1.578 15.439 1.00 0.00 C ATOM 530 O VAL A 37 3.733 -2.384 15.958 1.00 0.00 O ATOM 531 CB VAL A 37 2.529 0.316 17.016 1.00 0.00 C ATOM 532 CG1 VAL A 37 3.633 -0.161 17.949 1.00 0.00 C ATOM 533 CG2 VAL A 37 3.062 1.345 16.030 1.00 0.00 C ATOM 0 H VAL A 37 1.892 -2.458 17.644 1.00 0.00 H new ATOM 0 HA VAL A 37 1.113 -0.499 15.606 1.00 0.00 H new ATOM 0 HB VAL A 37 1.757 0.792 17.620 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.068 0.695 18.465 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.217 -0.853 18.681 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.405 -0.667 17.370 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.507 2.176 16.577 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.817 0.883 15.394 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.244 1.714 15.412 1.00 0.00 H new ATOM 543 N HIS A 38 2.999 -1.267 14.148 1.00 0.00 N ATOM 544 CA HIS A 38 3.973 -1.870 13.245 1.00 0.00 C ATOM 545 C HIS A 38 4.607 -0.815 12.344 1.00 0.00 C ATOM 546 O HIS A 38 3.984 0.196 12.022 1.00 0.00 O ATOM 547 CB HIS A 38 3.308 -2.952 12.392 1.00 0.00 C ATOM 548 CG HIS A 38 4.261 -3.675 11.492 1.00 0.00 C ATOM 549 ND1 HIS A 38 4.677 -4.970 11.721 1.00 0.00 N ATOM 550 CD2 HIS A 38 4.881 -3.278 10.356 1.00 0.00 C ATOM 551 CE1 HIS A 38 5.512 -5.338 10.765 1.00 0.00 C ATOM 552 NE2 HIS A 38 5.652 -4.329 9.924 1.00 0.00 N ATOM 0 H HIS A 38 2.367 -0.601 13.703 1.00 0.00 H new ATOM 0 HA HIS A 38 4.758 -2.325 13.850 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.823 -3.674 13.049 1.00 0.00 H new ATOM 0 HB3 HIS A 38 2.525 -2.496 11.787 1.00 0.00 H new ATOM 0 HD2 HIS A 38 4.787 -2.314 9.878 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.997 -6.300 10.685 1.00 0.00 H new ATOM 0 HE2 HIS A 38 6.238 -4.330 9.089 1.00 0.00 H new ATOM 561 N THR A 39 5.851 -1.058 11.941 1.00 0.00 N ATOM 562 CA THR A 39 6.570 -0.129 11.077 1.00 0.00 C ATOM 563 C THR A 39 6.926 -0.787 9.748 1.00 0.00 C ATOM 564 O THR A 39 7.288 -1.963 9.703 1.00 0.00 O ATOM 565 CB THR A 39 7.840 0.365 11.771 1.00 0.00 C ATOM 566 OG1 THR A 39 7.631 0.498 13.165 1.00 0.00 O ATOM 567 CG2 THR A 39 8.326 1.701 11.250 1.00 0.00 C ATOM 0 H THR A 39 6.381 -1.890 12.199 1.00 0.00 H new ATOM 0 HA THR A 39 5.919 0.722 10.877 1.00 0.00 H new ATOM 0 HB THR A 39 8.598 -0.388 11.556 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.455 0.813 13.591 1.00 0.00 H new ATOM 0 HG21 THR A 39 9.230 1.993 11.785 1.00 0.00 H new ATOM 0 HG22 THR A 39 8.545 1.619 10.185 1.00 0.00 H new ATOM 0 HG23 THR A 39 7.554 2.454 11.404 1.00 0.00 H new ATOM 575 N VAL A 40 6.822 -0.021 8.667 1.00 0.00 N ATOM 576 CA VAL A 40 7.134 -0.529 7.337 1.00 0.00 C ATOM 577 C VAL A 40 7.924 0.496 6.529 1.00 0.00 C ATOM 578 O VAL A 40 7.470 1.622 6.323 1.00 0.00 O ATOM 579 CB VAL A 40 5.853 -0.906 6.565 1.00 0.00 C ATOM 580 CG1 VAL A 40 4.966 0.315 6.366 1.00 0.00 C ATOM 581 CG2 VAL A 40 6.199 -1.546 5.229 1.00 0.00 C ATOM 0 H VAL A 40 6.524 0.954 8.686 1.00 0.00 H new ATOM 0 HA VAL A 40 7.741 -1.424 7.473 1.00 0.00 H new ATOM 0 HB VAL A 40 5.300 -1.635 7.157 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.068 0.027 5.819 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.685 0.723 7.337 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.509 1.071 5.799 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.281 -1.804 4.701 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.778 -0.844 4.629 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.786 -2.449 5.399 1.00 0.00 H new ATOM 591 N VAL A 41 9.108 0.099 6.075 1.00 0.00 N ATOM 592 CA VAL A 41 9.961 0.983 5.289 1.00 0.00 C ATOM 593 C VAL A 41 9.259 1.432 4.012 1.00 0.00 C ATOM 594 O VAL A 41 8.686 0.618 3.288 1.00 0.00 O ATOM 595 CB VAL A 41 11.289 0.297 4.918 1.00 0.00 C ATOM 596 CG1 VAL A 41 12.241 1.291 4.270 1.00 0.00 C ATOM 597 CG2 VAL A 41 11.924 -0.338 6.145 1.00 0.00 C ATOM 0 H VAL A 41 9.499 -0.829 6.238 1.00 0.00 H new ATOM 0 HA VAL A 41 10.172 1.854 5.910 1.00 0.00 H new ATOM 0 HB VAL A 41 11.079 -0.493 4.197 1.00 0.00 H new ATOM 0 HG11 VAL A 41 13.174 0.788 4.015 1.00 0.00 H new ATOM 0 HG12 VAL A 41 11.786 1.693 3.365 1.00 0.00 H new ATOM 0 HG13 VAL A 41 12.446 2.105 4.965 1.00 0.00 H new ATOM 0 HG21 VAL A 41 12.861 -0.818 5.863 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.121 0.431 6.892 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.246 -1.083 6.561 1.00 0.00 H new ATOM 607 N LEU A 42 9.307 2.732 3.743 1.00 0.00 N ATOM 608 CA LEU A 42 8.676 3.290 2.552 1.00 0.00 C ATOM 609 C LEU A 42 9.556 3.091 1.321 1.00 0.00 C ATOM 610 O LEU A 42 9.061 3.030 0.196 1.00 0.00 O ATOM 611 CB LEU A 42 8.389 4.779 2.753 1.00 0.00 C ATOM 612 CG LEU A 42 7.201 5.093 3.663 1.00 0.00 C ATOM 613 CD1 LEU A 42 6.974 6.595 3.746 1.00 0.00 C ATOM 614 CD2 LEU A 42 5.948 4.390 3.164 1.00 0.00 C ATOM 0 H LEU A 42 9.776 3.419 4.333 1.00 0.00 H new ATOM 0 HA LEU A 42 7.736 2.763 2.390 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.279 5.252 3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.211 5.234 1.779 1.00 0.00 H new ATOM 0 HG LEU A 42 7.427 4.725 4.664 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.125 6.799 4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.865 7.076 4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.769 6.988 2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 42 5.112 4.624 3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.719 4.728 2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.114 3.313 3.157 1.00 0.00 H new ATOM 626 N SER A 43 10.864 2.993 1.542 1.00 0.00 N ATOM 627 CA SER A 43 11.813 2.804 0.450 1.00 0.00 C ATOM 628 C SER A 43 11.484 1.548 -0.351 1.00 0.00 C ATOM 629 O SER A 43 11.641 1.520 -1.572 1.00 0.00 O ATOM 630 CB SER A 43 13.239 2.715 0.996 1.00 0.00 C ATOM 631 OG SER A 43 14.163 3.332 0.116 1.00 0.00 O ATOM 0 H SER A 43 11.290 3.041 2.467 1.00 0.00 H new ATOM 0 HA SER A 43 11.737 3.665 -0.214 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.288 3.195 1.974 1.00 0.00 H new ATOM 0 HB3 SER A 43 13.512 1.670 1.140 1.00 0.00 H new ATOM 0 HG SER A 43 13.845 4.230 -0.115 1.00 0.00 H new ATOM 637 N THR A 44 11.028 0.510 0.343 1.00 0.00 N ATOM 638 CA THR A 44 10.678 -0.748 -0.307 1.00 0.00 C ATOM 639 C THR A 44 9.586 -0.539 -1.352 1.00 0.00 C ATOM 640 O THR A 44 9.514 -1.265 -2.343 1.00 0.00 O ATOM 641 CB THR A 44 10.219 -1.773 0.732 1.00 0.00 C ATOM 642 OG1 THR A 44 10.006 -3.037 0.129 1.00 0.00 O ATOM 643 CG2 THR A 44 8.938 -1.381 1.437 1.00 0.00 C ATOM 0 H THR A 44 10.892 0.515 1.354 1.00 0.00 H new ATOM 0 HA THR A 44 11.567 -1.126 -0.811 1.00 0.00 H new ATOM 0 HB THR A 44 11.022 -1.815 1.468 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.715 -3.679 0.810 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.670 -2.152 2.160 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.083 -0.433 1.955 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.137 -1.276 0.705 1.00 0.00 H new ATOM 651 N ILE A 45 8.738 0.459 -1.124 1.00 0.00 N ATOM 652 CA ILE A 45 7.651 0.763 -2.047 1.00 0.00 C ATOM 653 C ILE A 45 8.191 1.168 -3.414 1.00 0.00 C ATOM 654 O ILE A 45 9.312 1.664 -3.528 1.00 0.00 O ATOM 655 CB ILE A 45 6.751 1.893 -1.507 1.00 0.00 C ATOM 656 CG1 ILE A 45 6.307 1.584 -0.076 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.543 2.088 -2.411 1.00 0.00 C ATOM 658 CD1 ILE A 45 5.592 0.257 0.063 1.00 0.00 C ATOM 0 H ILE A 45 8.783 1.070 -0.309 1.00 0.00 H new ATOM 0 HA ILE A 45 7.057 -0.146 -2.147 1.00 0.00 H new ATOM 0 HB ILE A 45 7.326 2.819 -1.497 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.181 1.586 0.575 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.649 2.380 0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.918 2.889 -2.016 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.878 2.351 -3.414 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.966 1.164 -2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.307 0.105 1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.699 0.258 -0.562 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.255 -0.548 -0.253 1.00 0.00 H new ATOM 670 N ASP A 46 7.386 0.952 -4.450 1.00 0.00 N ATOM 671 CA ASP A 46 7.783 1.295 -5.811 1.00 0.00 C ATOM 672 C ASP A 46 6.779 2.250 -6.447 1.00 0.00 C ATOM 673 O ASP A 46 7.150 3.307 -6.957 1.00 0.00 O ATOM 674 CB ASP A 46 7.910 0.029 -6.661 1.00 0.00 C ATOM 675 CG ASP A 46 8.818 0.226 -7.859 1.00 0.00 C ATOM 676 OD1 ASP A 46 9.033 1.391 -8.256 1.00 0.00 O ATOM 677 OD2 ASP A 46 9.314 -0.784 -8.401 1.00 0.00 O ATOM 0 H ASP A 46 6.456 0.541 -4.373 1.00 0.00 H new ATOM 0 HA ASP A 46 8.751 1.793 -5.766 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.297 -0.782 -6.044 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.921 -0.276 -7.004 1.00 0.00 H new ATOM 682 N LYS A 47 5.505 1.870 -6.414 1.00 0.00 N ATOM 683 CA LYS A 47 4.447 2.691 -6.987 1.00 0.00 C ATOM 684 C LYS A 47 3.307 2.873 -5.986 1.00 0.00 C ATOM 685 O LYS A 47 3.133 2.065 -5.074 1.00 0.00 O ATOM 686 CB LYS A 47 3.939 2.053 -8.290 1.00 0.00 C ATOM 687 CG LYS A 47 2.430 2.117 -8.475 1.00 0.00 C ATOM 688 CD LYS A 47 2.019 1.661 -9.866 1.00 0.00 C ATOM 689 CE LYS A 47 0.733 0.851 -9.830 1.00 0.00 C ATOM 690 NZ LYS A 47 0.273 0.478 -11.196 1.00 0.00 N ATOM 0 H LYS A 47 5.182 0.998 -5.996 1.00 0.00 H new ATOM 0 HA LYS A 47 4.849 3.678 -7.218 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.418 2.550 -9.134 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.252 1.009 -8.315 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.944 1.490 -7.727 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.085 3.138 -8.309 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.885 2.530 -10.510 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.816 1.060 -10.303 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.889 -0.052 -9.240 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.045 1.427 -9.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.606 -0.073 -11.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.099 1.340 -11.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.004 -0.094 -11.665 1.00 0.00 H new ATOM 704 N LEU A 48 2.534 3.940 -6.166 1.00 0.00 N ATOM 705 CA LEU A 48 1.412 4.230 -5.281 1.00 0.00 C ATOM 706 C LEU A 48 0.100 4.261 -6.059 1.00 0.00 C ATOM 707 O LEU A 48 0.051 4.736 -7.193 1.00 0.00 O ATOM 708 CB LEU A 48 1.628 5.567 -4.570 1.00 0.00 C ATOM 709 CG LEU A 48 2.839 5.616 -3.637 1.00 0.00 C ATOM 710 CD1 LEU A 48 3.430 7.017 -3.602 1.00 0.00 C ATOM 711 CD2 LEU A 48 2.450 5.164 -2.237 1.00 0.00 C ATOM 0 H LEU A 48 2.665 4.618 -6.917 1.00 0.00 H new ATOM 0 HA LEU A 48 1.354 3.436 -4.537 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.737 6.348 -5.323 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.734 5.803 -3.993 1.00 0.00 H new ATOM 0 HG LEU A 48 3.598 4.934 -4.021 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.290 7.032 -2.933 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.745 7.304 -4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.679 7.720 -3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.323 5.205 -1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.674 5.821 -1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.074 4.142 -2.276 1.00 0.00 H new ATOM 723 N GLN A 49 -0.961 3.752 -5.441 1.00 0.00 N ATOM 724 CA GLN A 49 -2.274 3.722 -6.077 1.00 0.00 C ATOM 725 C GLN A 49 -3.384 3.747 -5.031 1.00 0.00 C ATOM 726 O GLN A 49 -3.158 3.431 -3.863 1.00 0.00 O ATOM 727 CB GLN A 49 -2.410 2.477 -6.955 1.00 0.00 C ATOM 728 CG GLN A 49 -3.201 2.717 -8.231 1.00 0.00 C ATOM 729 CD GLN A 49 -2.343 3.266 -9.353 1.00 0.00 C ATOM 730 OE1 GLN A 49 -1.916 4.420 -9.316 1.00 0.00 O ATOM 731 NE2 GLN A 49 -2.086 2.440 -10.361 1.00 0.00 N ATOM 0 H GLN A 49 -0.938 3.355 -4.502 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.369 4.610 -6.702 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.415 2.116 -7.216 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.894 1.688 -6.380 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.658 1.781 -8.552 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.013 3.414 -8.025 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.460 1.491 -10.351 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.514 2.755 -11.145 1.00 0.00 H new ATOM 740 N ALA A 50 -4.585 4.125 -5.459 1.00 0.00 N ATOM 741 CA ALA A 50 -5.729 4.191 -4.559 1.00 0.00 C ATOM 742 C ALA A 50 -7.040 4.033 -5.322 1.00 0.00 C ATOM 743 O ALA A 50 -7.068 4.107 -6.550 1.00 0.00 O ATOM 744 CB ALA A 50 -5.720 5.504 -3.790 1.00 0.00 C ATOM 0 H ALA A 50 -4.790 4.390 -6.423 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.650 3.366 -3.851 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.580 5.540 -3.121 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.803 5.577 -3.206 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.771 6.337 -4.491 1.00 0.00 H new ATOM 750 N THR A 51 -8.124 3.815 -4.585 1.00 0.00 N ATOM 751 CA THR A 51 -9.440 3.645 -5.191 1.00 0.00 C ATOM 752 C THR A 51 -9.941 4.961 -5.782 1.00 0.00 C ATOM 753 O THR A 51 -9.616 6.039 -5.283 1.00 0.00 O ATOM 754 CB THR A 51 -10.438 3.126 -4.155 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.825 4.160 -3.268 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.896 1.985 -3.321 1.00 0.00 C ATOM 0 H THR A 51 -8.117 3.752 -3.567 1.00 0.00 H new ATOM 0 HA THR A 51 -9.350 2.916 -5.996 1.00 0.00 H new ATOM 0 HB THR A 51 -11.288 2.762 -4.731 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.577 3.855 -2.719 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.654 1.665 -2.606 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.635 1.151 -3.972 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.008 2.317 -2.783 1.00 0.00 H new ATOM 764 N PRO A 52 -10.745 4.889 -6.857 1.00 0.00 N ATOM 765 CA PRO A 52 -11.291 6.080 -7.515 1.00 0.00 C ATOM 766 C PRO A 52 -12.370 6.760 -6.678 1.00 0.00 C ATOM 767 O PRO A 52 -12.885 6.181 -5.722 1.00 0.00 O ATOM 768 CB PRO A 52 -11.889 5.526 -8.809 1.00 0.00 C ATOM 769 CG PRO A 52 -12.226 4.110 -8.492 1.00 0.00 C ATOM 770 CD PRO A 52 -11.182 3.643 -7.515 1.00 0.00 C ATOM 0 HA PRO A 52 -10.530 6.844 -7.674 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.775 6.087 -9.108 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.178 5.589 -9.633 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.225 4.034 -8.062 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.219 3.496 -9.393 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.593 2.933 -6.797 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.355 3.144 -8.020 1.00 0.00 H new ATOM 778 N ALA A 53 -12.707 7.992 -7.045 1.00 0.00 N ATOM 779 CA ALA A 53 -13.724 8.752 -6.329 1.00 0.00 C ATOM 780 C ALA A 53 -15.095 8.094 -6.457 1.00 0.00 C ATOM 781 O ALA A 53 -15.949 8.243 -5.583 1.00 0.00 O ATOM 782 CB ALA A 53 -13.774 10.182 -6.843 1.00 0.00 C ATOM 0 H ALA A 53 -12.290 8.485 -7.835 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.454 8.766 -5.273 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.538 10.738 -6.299 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.804 10.657 -6.693 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.016 10.178 -7.906 1.00 0.00 H new ATOM 788 N SER A 54 -15.299 7.368 -7.551 1.00 0.00 N ATOM 789 CA SER A 54 -16.568 6.689 -7.791 1.00 0.00 C ATOM 790 C SER A 54 -16.796 5.580 -6.769 1.00 0.00 C ATOM 791 O SER A 54 -17.935 5.261 -6.429 1.00 0.00 O ATOM 792 CB SER A 54 -16.598 6.108 -9.206 1.00 0.00 C ATOM 793 OG SER A 54 -15.919 6.952 -10.120 1.00 0.00 O ATOM 0 H SER A 54 -14.603 7.234 -8.285 1.00 0.00 H new ATOM 0 HA SER A 54 -17.368 7.422 -7.688 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.136 5.121 -9.207 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.632 5.977 -9.527 1.00 0.00 H new ATOM 0 HG SER A 54 -15.951 6.557 -11.016 1.00 0.00 H new ATOM 799 N SER A 55 -15.705 4.996 -6.281 1.00 0.00 N ATOM 800 CA SER A 55 -15.789 3.923 -5.297 1.00 0.00 C ATOM 801 C SER A 55 -16.511 4.394 -4.038 1.00 0.00 C ATOM 802 O SER A 55 -16.183 5.439 -3.477 1.00 0.00 O ATOM 803 CB SER A 55 -14.389 3.421 -4.938 1.00 0.00 C ATOM 804 OG SER A 55 -13.923 2.482 -5.891 1.00 0.00 O ATOM 0 H SER A 55 -14.754 5.248 -6.551 1.00 0.00 H new ATOM 0 HA SER A 55 -16.359 3.105 -5.737 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.700 4.264 -4.886 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.406 2.962 -3.949 1.00 0.00 H new ATOM 0 HG SER A 55 -14.434 1.650 -5.808 1.00 0.00 H new ATOM 810 N GLU A 56 -17.495 3.615 -3.600 1.00 0.00 N ATOM 811 CA GLU A 56 -18.264 3.952 -2.408 1.00 0.00 C ATOM 812 C GLU A 56 -17.373 3.965 -1.170 1.00 0.00 C ATOM 813 O GLU A 56 -17.593 4.744 -0.243 1.00 0.00 O ATOM 814 CB GLU A 56 -19.410 2.957 -2.216 1.00 0.00 C ATOM 815 CG GLU A 56 -18.986 1.505 -2.366 1.00 0.00 C ATOM 816 CD GLU A 56 -19.373 0.920 -3.709 1.00 0.00 C ATOM 817 OE1 GLU A 56 -20.555 0.553 -3.879 1.00 0.00 O ATOM 818 OE2 GLU A 56 -18.495 0.828 -4.593 1.00 0.00 O ATOM 0 H GLU A 56 -17.778 2.746 -4.053 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.679 4.951 -2.545 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -19.842 3.100 -1.226 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -20.194 3.175 -2.941 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.906 1.431 -2.239 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -19.441 0.914 -1.572 1.00 0.00 H new ATOM 825 N LYS A 57 -16.367 3.096 -1.162 1.00 0.00 N ATOM 826 CA LYS A 57 -15.443 3.007 -0.037 1.00 0.00 C ATOM 827 C LYS A 57 -14.064 3.533 -0.423 1.00 0.00 C ATOM 828 O LYS A 57 -13.466 3.079 -1.399 1.00 0.00 O ATOM 829 CB LYS A 57 -15.332 1.560 0.446 1.00 0.00 C ATOM 830 CG LYS A 57 -15.138 0.556 -0.678 1.00 0.00 C ATOM 831 CD LYS A 57 -16.438 -0.152 -1.026 1.00 0.00 C ATOM 832 CE LYS A 57 -16.501 -1.537 -0.402 1.00 0.00 C ATOM 833 NZ LYS A 57 -17.004 -1.494 0.998 1.00 0.00 N ATOM 0 H LYS A 57 -16.171 2.444 -1.921 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.835 3.624 0.772 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.496 1.481 1.141 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -16.233 1.301 1.001 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -14.754 1.067 -1.561 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.389 -0.180 -0.384 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -17.282 0.444 -0.679 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -16.530 -0.235 -2.109 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -17.150 -2.176 -1.001 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.508 -1.987 -0.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.032 -2.458 1.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.371 -0.905 1.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.961 -1.088 1.011 1.00 0.00 H new ATOM 847 N MET A 58 -13.565 4.492 0.350 1.00 0.00 N ATOM 848 CA MET A 58 -12.256 5.079 0.090 1.00 0.00 C ATOM 849 C MET A 58 -11.144 4.201 0.656 1.00 0.00 C ATOM 850 O MET A 58 -11.152 3.857 1.838 1.00 0.00 O ATOM 851 CB MET A 58 -12.173 6.481 0.695 1.00 0.00 C ATOM 852 CG MET A 58 -13.205 7.447 0.136 1.00 0.00 C ATOM 853 SD MET A 58 -14.643 7.624 1.208 1.00 0.00 S ATOM 854 CE MET A 58 -13.876 8.245 2.703 1.00 0.00 C ATOM 0 H MET A 58 -14.047 4.879 1.161 1.00 0.00 H new ATOM 0 HA MET A 58 -12.125 5.149 -0.990 1.00 0.00 H new ATOM 0 HB2 MET A 58 -12.302 6.410 1.775 1.00 0.00 H new ATOM 0 HB3 MET A 58 -11.176 6.885 0.519 1.00 0.00 H new ATOM 0 HG2 MET A 58 -12.742 8.423 -0.009 1.00 0.00 H new ATOM 0 HG3 MET A 58 -13.529 7.099 -0.845 1.00 0.00 H new ATOM 0 HE1 MET A 58 -14.006 7.520 3.507 1.00 0.00 H new ATOM 0 HE2 MET A 58 -12.812 8.404 2.527 1.00 0.00 H new ATOM 0 HE3 MET A 58 -14.342 9.189 2.986 1.00 0.00 H new ATOM 864 N MET A 59 -10.190 3.840 -0.196 1.00 0.00 N ATOM 865 CA MET A 59 -9.073 3.001 0.220 1.00 0.00 C ATOM 866 C MET A 59 -7.834 3.287 -0.623 1.00 0.00 C ATOM 867 O MET A 59 -7.918 3.928 -1.670 1.00 0.00 O ATOM 868 CB MET A 59 -9.451 1.523 0.109 1.00 0.00 C ATOM 869 CG MET A 59 -10.561 1.107 1.061 1.00 0.00 C ATOM 870 SD MET A 59 -10.494 -0.645 1.482 1.00 0.00 S ATOM 871 CE MET A 59 -11.187 -1.375 0.001 1.00 0.00 C ATOM 0 H MET A 59 -10.168 4.115 -1.178 1.00 0.00 H new ATOM 0 HA MET A 59 -8.843 3.233 1.260 1.00 0.00 H new ATOM 0 HB2 MET A 59 -9.763 1.312 -0.914 1.00 0.00 H new ATOM 0 HB3 MET A 59 -8.568 0.915 0.305 1.00 0.00 H new ATOM 0 HG2 MET A 59 -10.492 1.699 1.974 1.00 0.00 H new ATOM 0 HG3 MET A 59 -11.526 1.331 0.607 1.00 0.00 H new ATOM 0 HE1 MET A 59 -10.719 -2.342 -0.181 1.00 0.00 H new ATOM 0 HE2 MET A 59 -12.261 -1.510 0.130 1.00 0.00 H new ATOM 0 HE3 MET A 59 -11.004 -0.718 -0.849 1.00 0.00 H new ATOM 881 N LEU A 60 -6.685 2.807 -0.158 1.00 0.00 N ATOM 882 CA LEU A 60 -5.428 3.012 -0.869 1.00 0.00 C ATOM 883 C LEU A 60 -4.668 1.698 -1.021 1.00 0.00 C ATOM 884 O LEU A 60 -4.668 0.861 -0.118 1.00 0.00 O ATOM 885 CB LEU A 60 -4.562 4.035 -0.130 1.00 0.00 C ATOM 886 CG LEU A 60 -3.877 5.070 -1.025 1.00 0.00 C ATOM 887 CD1 LEU A 60 -4.684 6.359 -1.065 1.00 0.00 C ATOM 888 CD2 LEU A 60 -2.460 5.342 -0.540 1.00 0.00 C ATOM 0 H LEU A 60 -6.598 2.274 0.707 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.659 3.393 -1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.185 4.559 0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.797 3.501 0.434 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.823 4.667 -2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.181 7.083 -1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.679 6.153 -1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.771 6.765 -0.057 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.989 6.080 -1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.492 5.723 0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.883 4.417 -0.564 1.00 0.00 H new ATOM 900 N ARG A 61 -4.019 1.523 -2.168 1.00 0.00 N ATOM 901 CA ARG A 61 -3.253 0.311 -2.436 1.00 0.00 C ATOM 902 C ARG A 61 -1.815 0.649 -2.819 1.00 0.00 C ATOM 903 O ARG A 61 -1.568 1.303 -3.832 1.00 0.00 O ATOM 904 CB ARG A 61 -3.915 -0.503 -3.551 1.00 0.00 C ATOM 905 CG ARG A 61 -3.137 -1.752 -3.937 1.00 0.00 C ATOM 906 CD ARG A 61 -4.055 -2.835 -4.481 1.00 0.00 C ATOM 907 NE ARG A 61 -3.461 -4.165 -4.366 1.00 0.00 N ATOM 908 CZ ARG A 61 -4.079 -5.286 -4.728 1.00 0.00 C ATOM 909 NH1 ARG A 61 -5.307 -5.244 -5.229 1.00 0.00 N ATOM 910 NH2 ARG A 61 -3.466 -6.454 -4.590 1.00 0.00 N ATOM 0 H ARG A 61 -4.008 2.205 -2.926 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.236 -0.286 -1.524 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.916 -0.793 -3.232 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.031 0.129 -4.431 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.388 -1.498 -4.687 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.601 -2.131 -3.067 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.002 -2.813 -3.941 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.280 -2.628 -5.527 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.517 -4.238 -3.986 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.783 -4.348 -5.339 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.775 -6.107 -5.505 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.522 -6.492 -4.207 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.939 -7.314 -4.867 1.00 0.00 H new ATOM 924 N LEU A 62 -0.872 0.195 -2.002 1.00 0.00 N ATOM 925 CA LEU A 62 0.543 0.443 -2.250 1.00 0.00 C ATOM 926 C LEU A 62 1.190 -0.754 -2.939 1.00 0.00 C ATOM 927 O LEU A 62 0.866 -1.903 -2.641 1.00 0.00 O ATOM 928 CB LEU A 62 1.265 0.745 -0.936 1.00 0.00 C ATOM 929 CG LEU A 62 1.682 2.204 -0.749 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.618 2.968 0.023 1.00 0.00 C ATOM 931 CD2 LEU A 62 3.025 2.287 -0.038 1.00 0.00 C ATOM 0 H LEU A 62 -1.062 -0.348 -1.160 1.00 0.00 H new ATOM 0 HA LEU A 62 0.628 1.307 -2.909 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.616 0.459 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.154 0.118 -0.875 1.00 0.00 H new ATOM 0 HG LEU A 62 1.786 2.662 -1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.932 4.004 0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.323 2.937 -0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.481 2.511 1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.307 3.333 0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.949 1.812 0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.783 1.775 -0.631 1.00 0.00 H new ATOM 943 N ILE A 63 2.106 -0.477 -3.861 1.00 0.00 N ATOM 944 CA ILE A 63 2.798 -1.534 -4.590 1.00 0.00 C ATOM 945 C ILE A 63 4.297 -1.501 -4.313 1.00 0.00 C ATOM 946 O ILE A 63 4.898 -0.430 -4.226 1.00 0.00 O ATOM 947 CB ILE A 63 2.567 -1.422 -6.110 1.00 0.00 C ATOM 948 CG1 ILE A 63 1.112 -1.051 -6.408 1.00 0.00 C ATOM 949 CG2 ILE A 63 2.934 -2.729 -6.796 1.00 0.00 C ATOM 950 CD1 ILE A 63 0.114 -2.076 -5.917 1.00 0.00 C ATOM 0 H ILE A 63 2.386 0.469 -4.121 1.00 0.00 H new ATOM 0 HA ILE A 63 2.384 -2.479 -4.239 1.00 0.00 H new ATOM 0 HB ILE A 63 3.208 -0.632 -6.500 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.889 -0.089 -5.947 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.991 -0.924 -7.484 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.766 -2.636 -7.869 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.984 -2.955 -6.611 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.315 -3.534 -6.400 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.896 -1.747 -6.163 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.311 -3.034 -6.398 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.207 -2.186 -4.837 1.00 0.00 H new ATOM 962 N GLY A 64 4.895 -2.679 -4.177 1.00 0.00 N ATOM 963 CA GLY A 64 6.319 -2.762 -3.912 1.00 0.00 C ATOM 964 C GLY A 64 7.135 -2.938 -5.177 1.00 0.00 C ATOM 965 O GLY A 64 6.646 -2.688 -6.279 1.00 0.00 O ATOM 0 H GLY A 64 4.419 -3.578 -4.246 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.643 -1.857 -3.397 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.512 -3.598 -3.240 1.00 0.00 H new ATOM 969 N LYS A 65 8.383 -3.368 -5.019 1.00 0.00 N ATOM 970 CA LYS A 65 9.269 -3.576 -6.158 1.00 0.00 C ATOM 971 C LYS A 65 9.382 -5.059 -6.495 1.00 0.00 C ATOM 972 O LYS A 65 8.970 -5.917 -5.714 1.00 0.00 O ATOM 973 CB LYS A 65 10.656 -3.001 -5.864 1.00 0.00 C ATOM 974 CG LYS A 65 10.640 -1.520 -5.521 1.00 0.00 C ATOM 975 CD LYS A 65 11.941 -1.086 -4.867 1.00 0.00 C ATOM 976 CE LYS A 65 12.371 0.292 -5.342 1.00 0.00 C ATOM 977 NZ LYS A 65 13.559 0.792 -4.596 1.00 0.00 N ATOM 0 H LYS A 65 8.803 -3.579 -4.114 1.00 0.00 H new ATOM 0 HA LYS A 65 8.843 -3.058 -7.017 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.101 -3.553 -5.036 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.297 -3.158 -6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.475 -0.937 -6.427 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.807 -1.310 -4.851 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.820 -1.077 -3.784 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.723 -1.811 -5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.601 0.253 -6.407 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.545 0.992 -5.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.820 1.734 -4.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.332 0.854 -3.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.356 0.138 -4.733 1.00 0.00 H new ATOM 991 N VAL A 66 9.944 -5.354 -7.663 1.00 0.00 N ATOM 992 CA VAL A 66 10.112 -6.734 -8.103 1.00 0.00 C ATOM 993 C VAL A 66 11.403 -7.332 -7.555 1.00 0.00 C ATOM 994 O VAL A 66 12.293 -6.609 -7.106 1.00 0.00 O ATOM 995 CB VAL A 66 10.126 -6.836 -9.640 1.00 0.00 C ATOM 996 CG1 VAL A 66 8.774 -6.441 -10.214 1.00 0.00 C ATOM 997 CG2 VAL A 66 11.234 -5.972 -10.223 1.00 0.00 C ATOM 0 H VAL A 66 10.291 -4.656 -8.321 1.00 0.00 H new ATOM 0 HA VAL A 66 9.261 -7.295 -7.716 1.00 0.00 H new ATOM 0 HB VAL A 66 10.323 -7.872 -9.915 1.00 0.00 H new ATOM 0 HG11 VAL A 66 8.803 -6.519 -11.301 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.004 -7.106 -9.823 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.544 -5.414 -9.930 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.228 -6.057 -11.310 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.072 -4.932 -9.940 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.197 -6.307 -9.838 1.00 0.00 H new ATOM 1007 N ASP A 67 11.499 -8.657 -7.594 1.00 0.00 N ATOM 1008 CA ASP A 67 12.682 -9.353 -7.101 1.00 0.00 C ATOM 1009 C ASP A 67 12.909 -9.058 -5.622 1.00 0.00 C ATOM 1010 O ASP A 67 13.322 -7.958 -5.254 1.00 0.00 O ATOM 1011 CB ASP A 67 13.914 -8.944 -7.909 1.00 0.00 C ATOM 1012 CG ASP A 67 13.677 -9.024 -9.405 1.00 0.00 C ATOM 1013 OD1 ASP A 67 12.766 -9.769 -9.822 1.00 0.00 O ATOM 1014 OD2 ASP A 67 14.403 -8.342 -10.158 1.00 0.00 O ATOM 0 H ASP A 67 10.772 -9.270 -7.962 1.00 0.00 H new ATOM 0 HA ASP A 67 12.518 -10.424 -7.219 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.198 -7.926 -7.643 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.751 -9.589 -7.641 1.00 0.00 H new ATOM 1019 N GLU A 68 12.636 -10.048 -4.777 1.00 0.00 N ATOM 1020 CA GLU A 68 12.811 -9.893 -3.338 1.00 0.00 C ATOM 1021 C GLU A 68 14.142 -10.484 -2.878 1.00 0.00 C ATOM 1022 O GLU A 68 14.306 -10.828 -1.708 1.00 0.00 O ATOM 1023 CB GLU A 68 11.658 -10.563 -2.589 1.00 0.00 C ATOM 1024 CG GLU A 68 10.453 -9.657 -2.393 1.00 0.00 C ATOM 1025 CD GLU A 68 9.140 -10.413 -2.459 1.00 0.00 C ATOM 1026 OE1 GLU A 68 9.108 -11.587 -2.035 1.00 0.00 O ATOM 1027 OE2 GLU A 68 8.142 -9.830 -2.934 1.00 0.00 O ATOM 0 H GLU A 68 12.293 -10.965 -5.064 1.00 0.00 H new ATOM 0 HA GLU A 68 12.814 -8.826 -3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.348 -11.453 -3.137 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.014 -10.897 -1.614 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.532 -9.157 -1.428 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.459 -8.879 -3.157 1.00 0.00 H new ATOM 1034 N SER A 69 15.090 -10.600 -3.806 1.00 0.00 N ATOM 1035 CA SER A 69 16.406 -11.149 -3.492 1.00 0.00 C ATOM 1036 C SER A 69 16.285 -12.499 -2.789 1.00 0.00 C ATOM 1037 O SER A 69 17.148 -12.875 -1.995 1.00 0.00 O ATOM 1038 CB SER A 69 17.192 -10.173 -2.615 1.00 0.00 C ATOM 1039 OG SER A 69 17.059 -8.843 -3.085 1.00 0.00 O ATOM 0 H SER A 69 14.971 -10.321 -4.780 1.00 0.00 H new ATOM 0 HA SER A 69 16.941 -11.298 -4.430 1.00 0.00 H new ATOM 0 HB2 SER A 69 16.836 -10.236 -1.587 1.00 0.00 H new ATOM 0 HB3 SER A 69 18.245 -10.455 -2.606 1.00 0.00 H new ATOM 0 HG SER A 69 17.569 -8.239 -2.506 1.00 0.00 H new ATOM 1045 N LYS A 70 15.210 -13.222 -3.084 1.00 0.00 N ATOM 1046 CA LYS A 70 14.977 -14.528 -2.478 1.00 0.00 C ATOM 1047 C LYS A 70 14.050 -15.375 -3.344 1.00 0.00 C ATOM 1048 O LYS A 70 14.302 -16.560 -3.565 1.00 0.00 O ATOM 1049 CB LYS A 70 14.379 -14.365 -1.080 1.00 0.00 C ATOM 1050 CG LYS A 70 15.253 -13.559 -0.134 1.00 0.00 C ATOM 1051 CD LYS A 70 14.720 -13.603 1.289 1.00 0.00 C ATOM 1052 CE LYS A 70 13.440 -12.796 1.430 1.00 0.00 C ATOM 1053 NZ LYS A 70 13.677 -11.339 1.240 1.00 0.00 N ATOM 0 H LYS A 70 14.486 -12.926 -3.739 1.00 0.00 H new ATOM 0 HA LYS A 70 15.937 -15.039 -2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.406 -13.880 -1.164 1.00 0.00 H new ATOM 0 HB3 LYS A 70 14.207 -15.352 -0.650 1.00 0.00 H new ATOM 0 HG2 LYS A 70 16.270 -13.949 -0.155 1.00 0.00 H new ATOM 0 HG3 LYS A 70 15.302 -12.524 -0.474 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.533 -14.638 1.576 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.474 -13.214 1.973 1.00 0.00 H new ATOM 0 HE2 LYS A 70 12.710 -13.143 0.699 1.00 0.00 H new ATOM 0 HE3 LYS A 70 13.010 -12.968 2.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.848 -10.806 1.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 14.515 -11.050 1.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 13.834 -11.141 0.231 1.00 0.00 H new ATOM 1067 N LYS A 71 12.976 -14.761 -3.832 1.00 0.00 N ATOM 1068 CA LYS A 71 12.011 -15.461 -4.673 1.00 0.00 C ATOM 1069 C LYS A 71 11.315 -16.571 -3.892 1.00 0.00 C ATOM 1070 O LYS A 71 11.928 -17.230 -3.051 1.00 0.00 O ATOM 1071 CB LYS A 71 12.702 -16.045 -5.907 1.00 0.00 C ATOM 1072 CG LYS A 71 13.504 -15.022 -6.696 1.00 0.00 C ATOM 1073 CD LYS A 71 14.847 -15.583 -7.136 1.00 0.00 C ATOM 1074 CE LYS A 71 15.426 -14.794 -8.299 1.00 0.00 C ATOM 1075 NZ LYS A 71 16.904 -14.652 -8.193 1.00 0.00 N ATOM 0 H LYS A 71 12.752 -13.781 -3.660 1.00 0.00 H new ATOM 0 HA LYS A 71 11.259 -14.740 -4.996 1.00 0.00 H new ATOM 0 HB2 LYS A 71 13.365 -16.852 -5.594 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.949 -16.486 -6.560 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.935 -14.709 -7.572 1.00 0.00 H new ATOM 0 HG3 LYS A 71 13.663 -14.133 -6.085 1.00 0.00 H new ATOM 0 HD2 LYS A 71 15.544 -15.562 -6.298 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.729 -16.627 -7.426 1.00 0.00 H new ATOM 0 HE2 LYS A 71 15.175 -15.292 -9.236 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.968 -13.806 -8.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 17.260 -14.108 -9.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 17.143 -14.154 -7.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 17.344 -15.594 -8.188 1.00 0.00 H new ATOM 1089 N ARG A 72 10.032 -16.772 -4.174 1.00 0.00 N ATOM 1090 CA ARG A 72 9.253 -17.802 -3.496 1.00 0.00 C ATOM 1091 C ARG A 72 9.457 -19.163 -4.154 1.00 0.00 C ATOM 1092 O ARG A 72 9.653 -19.255 -5.366 1.00 0.00 O ATOM 1093 CB ARG A 72 7.768 -17.435 -3.505 1.00 0.00 C ATOM 1094 CG ARG A 72 7.399 -16.363 -2.493 1.00 0.00 C ATOM 1095 CD ARG A 72 7.518 -16.879 -1.067 1.00 0.00 C ATOM 1096 NE ARG A 72 8.048 -15.863 -0.160 1.00 0.00 N ATOM 1097 CZ ARG A 72 7.405 -14.741 0.154 1.00 0.00 C ATOM 1098 NH1 ARG A 72 6.209 -14.487 -0.363 1.00 0.00 N ATOM 1099 NH2 ARG A 72 7.958 -13.871 0.987 1.00 0.00 N ATOM 0 H ARG A 72 9.510 -16.236 -4.867 1.00 0.00 H new ATOM 0 HA ARG A 72 9.599 -17.864 -2.464 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.494 -17.091 -4.502 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.180 -18.330 -3.304 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.050 -15.498 -2.624 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.379 -16.025 -2.675 1.00 0.00 H new ATOM 0 HD2 ARG A 72 6.538 -17.203 -0.716 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.168 -17.754 -1.051 1.00 0.00 H new ATOM 0 HE ARG A 72 8.965 -16.023 0.257 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.779 -15.153 -1.004 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.720 -13.626 -0.119 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.877 -14.061 1.387 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.465 -13.011 1.228 1.00 0.00 H new ATOM 1113 N LYS A 73 9.408 -20.217 -3.346 1.00 0.00 N ATOM 1114 CA LYS A 73 9.586 -21.575 -3.848 1.00 0.00 C ATOM 1115 C LYS A 73 8.897 -22.584 -2.935 1.00 0.00 C ATOM 1116 O LYS A 73 9.239 -22.706 -1.758 1.00 0.00 O ATOM 1117 CB LYS A 73 11.074 -21.909 -3.965 1.00 0.00 C ATOM 1118 CG LYS A 73 11.886 -20.836 -4.671 1.00 0.00 C ATOM 1119 CD LYS A 73 13.343 -21.246 -4.818 1.00 0.00 C ATOM 1120 CE LYS A 73 13.925 -20.769 -6.139 1.00 0.00 C ATOM 1121 NZ LYS A 73 13.946 -19.283 -6.233 1.00 0.00 N ATOM 0 H LYS A 73 9.246 -20.157 -2.341 1.00 0.00 H new ATOM 0 HA LYS A 73 9.131 -21.633 -4.837 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.482 -22.063 -2.966 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.185 -22.850 -4.504 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.460 -20.645 -5.656 1.00 0.00 H new ATOM 0 HG3 LYS A 73 11.824 -19.903 -4.110 1.00 0.00 H new ATOM 0 HD2 LYS A 73 13.923 -20.833 -3.993 1.00 0.00 H new ATOM 0 HD3 LYS A 73 13.425 -22.331 -4.754 1.00 0.00 H new ATOM 0 HE2 LYS A 73 14.939 -21.154 -6.249 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.338 -21.176 -6.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 14.396 -18.998 -7.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.972 -18.920 -6.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.485 -18.892 -5.434 1.00 0.00 H new ATOM 1135 N ASP A 74 7.925 -23.305 -3.485 1.00 0.00 N ATOM 1136 CA ASP A 74 7.186 -24.304 -2.721 1.00 0.00 C ATOM 1137 C ASP A 74 8.131 -25.337 -2.112 1.00 0.00 C ATOM 1138 O ASP A 74 8.067 -25.622 -0.916 1.00 0.00 O ATOM 1139 CB ASP A 74 6.158 -25.001 -3.614 1.00 0.00 C ATOM 1140 CG ASP A 74 4.932 -24.144 -3.861 1.00 0.00 C ATOM 1141 OD1 ASP A 74 5.096 -22.982 -4.288 1.00 0.00 O ATOM 1142 OD2 ASP A 74 3.808 -24.636 -3.630 1.00 0.00 O ATOM 0 H ASP A 74 7.631 -23.216 -4.458 1.00 0.00 H new ATOM 0 HA ASP A 74 6.667 -23.792 -1.910 1.00 0.00 H new ATOM 0 HB2 ASP A 74 6.621 -25.252 -4.568 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.855 -25.939 -3.150 1.00 0.00 H new ATOM 1147 N ASN A 75 9.006 -25.893 -2.943 1.00 0.00 N ATOM 1148 CA ASN A 75 9.964 -26.894 -2.486 1.00 0.00 C ATOM 1149 C ASN A 75 10.895 -27.312 -3.620 1.00 0.00 C ATOM 1150 O ASN A 75 12.092 -27.027 -3.590 1.00 0.00 O ATOM 1151 CB ASN A 75 9.231 -28.118 -1.935 1.00 0.00 C ATOM 1152 CG ASN A 75 9.937 -28.723 -0.737 1.00 0.00 C ATOM 1153 OD1 ASN A 75 10.877 -29.504 -0.886 1.00 0.00 O ATOM 1154 ND2 ASN A 75 9.486 -28.365 0.459 1.00 0.00 N ATOM 0 H ASN A 75 9.072 -25.668 -3.936 1.00 0.00 H new ATOM 0 HA ASN A 75 10.564 -26.451 -1.691 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.218 -27.834 -1.651 1.00 0.00 H new ATOM 0 HB3 ASN A 75 9.143 -28.870 -2.720 1.00 0.00 H new ATOM 0 HD21 ASN A 75 9.921 -28.740 1.302 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.704 -27.715 0.535 1.00 0.00 H new ATOM 1161 N GLU A 76 10.337 -27.990 -4.617 1.00 0.00 N ATOM 1162 CA GLU A 76 11.117 -28.448 -5.761 1.00 0.00 C ATOM 1163 C GLU A 76 10.203 -28.879 -6.904 1.00 0.00 C ATOM 1164 O GLU A 76 9.627 -29.966 -6.875 1.00 0.00 O ATOM 1165 CB GLU A 76 12.026 -29.609 -5.353 1.00 0.00 C ATOM 1166 CG GLU A 76 13.374 -29.601 -6.055 1.00 0.00 C ATOM 1167 CD GLU A 76 14.255 -30.762 -5.638 1.00 0.00 C ATOM 1168 OE1 GLU A 76 14.197 -31.156 -4.454 1.00 0.00 O ATOM 1169 OE2 GLU A 76 15.003 -31.277 -6.495 1.00 0.00 O ATOM 0 H GLU A 76 9.348 -28.235 -4.656 1.00 0.00 H new ATOM 0 HA GLU A 76 11.733 -27.618 -6.106 1.00 0.00 H new ATOM 0 HB2 GLU A 76 12.186 -29.573 -4.275 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.519 -30.550 -5.568 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.218 -29.637 -7.133 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.887 -28.664 -5.838 1.00 0.00 H new ATOM 1176 N GLY A 77 10.077 -28.019 -7.909 1.00 0.00 N ATOM 1177 CA GLY A 77 9.233 -28.329 -9.048 1.00 0.00 C ATOM 1178 C GLY A 77 8.933 -27.110 -9.897 1.00 0.00 C ATOM 1179 O GLY A 77 8.729 -27.222 -11.106 1.00 0.00 O ATOM 0 H GLY A 77 10.544 -27.113 -7.955 1.00 0.00 H new ATOM 0 HA2 GLY A 77 9.721 -29.085 -9.663 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.297 -28.761 -8.695 1.00 0.00 H new ATOM 1183 N ASN A 78 8.907 -25.942 -9.264 1.00 0.00 N ATOM 1184 CA ASN A 78 8.632 -24.696 -9.967 1.00 0.00 C ATOM 1185 C ASN A 78 8.862 -23.495 -9.055 1.00 0.00 C ATOM 1186 O ASN A 78 8.121 -23.281 -8.095 1.00 0.00 O ATOM 1187 CB ASN A 78 7.195 -24.687 -10.491 1.00 0.00 C ATOM 1188 CG ASN A 78 7.099 -25.175 -11.924 1.00 0.00 C ATOM 1189 OD1 ASN A 78 7.638 -24.554 -12.840 1.00 0.00 O ATOM 1190 ND2 ASN A 78 6.410 -26.292 -12.124 1.00 0.00 N ATOM 0 H ASN A 78 9.073 -25.833 -8.264 1.00 0.00 H new ATOM 0 HA ASN A 78 9.318 -24.625 -10.811 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.575 -25.317 -9.853 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.794 -23.675 -10.427 1.00 0.00 H new ATOM 0 HD21 ASN A 78 6.311 -26.668 -13.067 1.00 0.00 H new ATOM 0 HD22 ASN A 78 5.980 -26.774 -11.335 1.00 0.00 H new ATOM 1197 N GLU A 79 9.893 -22.716 -9.361 1.00 0.00 N ATOM 1198 CA GLU A 79 10.222 -21.536 -8.570 1.00 0.00 C ATOM 1199 C GLU A 79 9.283 -20.380 -8.899 1.00 0.00 C ATOM 1200 O GLU A 79 9.246 -19.901 -10.032 1.00 0.00 O ATOM 1201 CB GLU A 79 11.672 -21.117 -8.819 1.00 0.00 C ATOM 1202 CG GLU A 79 11.972 -20.802 -10.275 1.00 0.00 C ATOM 1203 CD GLU A 79 13.316 -21.341 -10.723 1.00 0.00 C ATOM 1204 OE1 GLU A 79 13.394 -22.544 -11.050 1.00 0.00 O ATOM 1205 OE2 GLU A 79 14.291 -20.561 -10.747 1.00 0.00 O ATOM 0 H GLU A 79 10.516 -22.880 -10.152 1.00 0.00 H new ATOM 0 HA GLU A 79 10.100 -21.790 -7.517 1.00 0.00 H new ATOM 0 HB2 GLU A 79 11.897 -20.240 -8.212 1.00 0.00 H new ATOM 0 HB3 GLU A 79 12.335 -21.915 -8.484 1.00 0.00 H new ATOM 0 HG2 GLU A 79 11.188 -21.224 -10.903 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.951 -19.722 -10.421 1.00 0.00 H new ATOM 1212 N VAL A 80 8.526 -19.937 -7.901 1.00 0.00 N ATOM 1213 CA VAL A 80 7.588 -18.836 -8.085 1.00 0.00 C ATOM 1214 C VAL A 80 8.324 -17.523 -8.326 1.00 0.00 C ATOM 1215 O VAL A 80 9.289 -17.205 -7.633 1.00 0.00 O ATOM 1216 CB VAL A 80 6.662 -18.676 -6.865 1.00 0.00 C ATOM 1217 CG1 VAL A 80 5.566 -17.661 -7.155 1.00 0.00 C ATOM 1218 CG2 VAL A 80 6.065 -20.017 -6.468 1.00 0.00 C ATOM 0 H VAL A 80 8.544 -20.323 -6.957 1.00 0.00 H new ATOM 0 HA VAL A 80 6.984 -19.078 -8.960 1.00 0.00 H new ATOM 0 HB VAL A 80 7.255 -18.307 -6.028 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.922 -17.562 -6.281 1.00 0.00 H new ATOM 0 HG12 VAL A 80 6.016 -16.695 -7.386 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.974 -17.998 -8.006 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.414 -19.884 -5.604 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.487 -20.418 -7.300 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.866 -20.711 -6.215 1.00 0.00 H new ATOM 1228 N VAL A 81 7.862 -16.764 -9.315 1.00 0.00 N ATOM 1229 CA VAL A 81 8.477 -15.485 -9.647 1.00 0.00 C ATOM 1230 C VAL A 81 8.302 -14.479 -8.510 1.00 0.00 C ATOM 1231 O VAL A 81 7.220 -14.369 -7.932 1.00 0.00 O ATOM 1232 CB VAL A 81 7.879 -14.897 -10.941 1.00 0.00 C ATOM 1233 CG1 VAL A 81 6.388 -14.641 -10.776 1.00 0.00 C ATOM 1234 CG2 VAL A 81 8.606 -13.620 -11.336 1.00 0.00 C ATOM 0 H VAL A 81 7.064 -17.013 -9.900 1.00 0.00 H new ATOM 0 HA VAL A 81 9.540 -15.671 -9.800 1.00 0.00 H new ATOM 0 HB VAL A 81 8.012 -15.625 -11.741 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.986 -14.226 -11.700 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.881 -15.579 -10.548 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.228 -13.935 -9.961 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.169 -13.221 -12.251 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.510 -12.885 -10.537 1.00 0.00 H new ATOM 0 HG23 VAL A 81 9.661 -13.839 -11.503 1.00 0.00 H new ATOM 1244 N PRO A 82 9.366 -13.728 -8.171 1.00 0.00 N ATOM 1245 CA PRO A 82 9.316 -12.731 -7.097 1.00 0.00 C ATOM 1246 C PRO A 82 8.518 -11.493 -7.494 1.00 0.00 C ATOM 1247 O PRO A 82 9.056 -10.388 -7.560 1.00 0.00 O ATOM 1248 CB PRO A 82 10.787 -12.374 -6.882 1.00 0.00 C ATOM 1249 CG PRO A 82 11.426 -12.619 -8.204 1.00 0.00 C ATOM 1250 CD PRO A 82 10.698 -13.789 -8.805 1.00 0.00 C ATOM 0 HA PRO A 82 8.821 -13.113 -6.205 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.902 -11.336 -6.572 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.236 -12.991 -6.104 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.348 -11.740 -8.844 1.00 0.00 H new ATOM 0 HG3 PRO A 82 12.488 -12.837 -8.090 1.00 0.00 H new ATOM 0 HD2 PRO A 82 10.631 -13.706 -9.890 1.00 0.00 H new ATOM 0 HD3 PRO A 82 11.203 -14.730 -8.588 1.00 0.00 H new ATOM 1258 N LYS A 83 7.230 -11.687 -7.758 1.00 0.00 N ATOM 1259 CA LYS A 83 6.353 -10.588 -8.149 1.00 0.00 C ATOM 1260 C LYS A 83 6.399 -9.457 -7.124 1.00 0.00 C ATOM 1261 O LYS A 83 6.750 -9.674 -5.964 1.00 0.00 O ATOM 1262 CB LYS A 83 4.915 -11.088 -8.308 1.00 0.00 C ATOM 1263 CG LYS A 83 4.459 -11.998 -7.180 1.00 0.00 C ATOM 1264 CD LYS A 83 2.951 -12.186 -7.190 1.00 0.00 C ATOM 1265 CE LYS A 83 2.438 -12.652 -5.838 1.00 0.00 C ATOM 1266 NZ LYS A 83 0.955 -12.568 -5.746 1.00 0.00 N ATOM 0 H LYS A 83 6.770 -12.596 -7.708 1.00 0.00 H new ATOM 0 HA LYS A 83 6.706 -10.200 -9.105 1.00 0.00 H new ATOM 0 HB2 LYS A 83 4.245 -10.230 -8.365 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.828 -11.624 -9.253 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.948 -12.968 -7.273 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.768 -11.576 -6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.468 -11.247 -7.459 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.679 -12.914 -7.954 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.754 -13.681 -5.665 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.885 -12.044 -5.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.646 -12.895 -4.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.654 -11.582 -5.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.527 -13.168 -6.480 1.00 0.00 H new ATOM 1280 N PRO A 84 6.045 -8.229 -7.541 1.00 0.00 N ATOM 1281 CA PRO A 84 6.048 -7.062 -6.653 1.00 0.00 C ATOM 1282 C PRO A 84 4.978 -7.155 -5.571 1.00 0.00 C ATOM 1283 O PRO A 84 3.853 -7.581 -5.831 1.00 0.00 O ATOM 1284 CB PRO A 84 5.755 -5.892 -7.596 1.00 0.00 C ATOM 1285 CG PRO A 84 5.039 -6.503 -8.750 1.00 0.00 C ATOM 1286 CD PRO A 84 5.614 -7.883 -8.908 1.00 0.00 C ATOM 0 HA PRO A 84 6.991 -6.965 -6.114 1.00 0.00 H new ATOM 0 HB2 PRO A 84 5.143 -5.134 -7.107 1.00 0.00 H new ATOM 0 HB3 PRO A 84 6.675 -5.402 -7.916 1.00 0.00 H new ATOM 0 HG2 PRO A 84 3.966 -6.546 -8.565 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.183 -5.914 -9.656 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.873 -8.587 -9.286 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.449 -7.893 -9.608 1.00 0.00 H new ATOM 1294 N GLN A 85 5.337 -6.754 -4.356 1.00 0.00 N ATOM 1295 CA GLN A 85 4.408 -6.792 -3.233 1.00 0.00 C ATOM 1296 C GLN A 85 3.186 -5.921 -3.507 1.00 0.00 C ATOM 1297 O GLN A 85 3.053 -5.344 -4.587 1.00 0.00 O ATOM 1298 CB GLN A 85 5.103 -6.327 -1.952 1.00 0.00 C ATOM 1299 CG GLN A 85 5.778 -7.451 -1.183 1.00 0.00 C ATOM 1300 CD GLN A 85 6.993 -6.979 -0.408 1.00 0.00 C ATOM 1301 OE1 GLN A 85 6.895 -6.100 0.448 1.00 0.00 O ATOM 1302 NE2 GLN A 85 8.148 -7.562 -0.707 1.00 0.00 N ATOM 0 H GLN A 85 6.265 -6.399 -4.124 1.00 0.00 H new ATOM 0 HA GLN A 85 4.076 -7.822 -3.104 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.848 -5.573 -2.206 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.370 -5.845 -1.305 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.061 -7.895 -0.493 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.077 -8.234 -1.879 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.183 -8.287 -1.424 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.000 -7.285 -0.220 1.00 0.00 H new ATOM 1311 N ARG A 86 2.297 -5.831 -2.524 1.00 0.00 N ATOM 1312 CA ARG A 86 1.086 -5.030 -2.659 1.00 0.00 C ATOM 1313 C ARG A 86 0.367 -4.903 -1.319 1.00 0.00 C ATOM 1314 O ARG A 86 -0.288 -5.842 -0.865 1.00 0.00 O ATOM 1315 CB ARG A 86 0.152 -5.655 -3.698 1.00 0.00 C ATOM 1316 CG ARG A 86 0.198 -4.963 -5.052 1.00 0.00 C ATOM 1317 CD ARG A 86 0.187 -5.967 -6.193 1.00 0.00 C ATOM 1318 NE ARG A 86 0.600 -5.363 -7.458 1.00 0.00 N ATOM 1319 CZ ARG A 86 0.355 -5.900 -8.651 1.00 0.00 C ATOM 1320 NH1 ARG A 86 -0.299 -7.051 -8.746 1.00 0.00 N ATOM 1321 NH2 ARG A 86 0.766 -5.285 -9.751 1.00 0.00 N ATOM 0 H ARG A 86 2.392 -6.303 -1.625 1.00 0.00 H new ATOM 0 HA ARG A 86 1.372 -4.032 -2.992 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.416 -6.705 -3.827 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.870 -5.627 -3.319 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.656 -4.293 -5.148 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.095 -4.347 -5.117 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.853 -6.796 -5.953 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.815 -6.383 -6.300 1.00 0.00 H new ATOM 0 HE ARG A 86 1.106 -4.478 -7.425 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.616 -7.528 -7.902 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.484 -7.458 -9.663 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.270 -4.401 -9.683 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.579 -5.696 -10.665 1.00 0.00 H new ATOM 1335 N HIS A 87 0.492 -3.738 -0.691 1.00 0.00 N ATOM 1336 CA HIS A 87 -0.147 -3.493 0.597 1.00 0.00 C ATOM 1337 C HIS A 87 -1.177 -2.373 0.489 1.00 0.00 C ATOM 1338 O HIS A 87 -0.841 -1.239 0.146 1.00 0.00 O ATOM 1339 CB HIS A 87 0.902 -3.136 1.651 1.00 0.00 C ATOM 1340 CG HIS A 87 1.994 -4.152 1.776 1.00 0.00 C ATOM 1341 ND1 HIS A 87 1.791 -5.503 1.586 1.00 0.00 N ATOM 1342 CD2 HIS A 87 3.308 -4.010 2.073 1.00 0.00 C ATOM 1343 CE1 HIS A 87 2.931 -6.147 1.762 1.00 0.00 C ATOM 1344 NE2 HIS A 87 3.867 -5.264 2.057 1.00 0.00 N ATOM 0 H HIS A 87 1.029 -2.950 -1.053 1.00 0.00 H new ATOM 0 HA HIS A 87 -0.660 -4.406 0.899 1.00 0.00 H new ATOM 0 HB2 HIS A 87 1.342 -2.170 1.401 1.00 0.00 H new ATOM 0 HB3 HIS A 87 0.410 -3.022 2.617 1.00 0.00 H new ATOM 0 HD2 HIS A 87 3.821 -3.083 2.283 1.00 0.00 H new ATOM 0 HE1 HIS A 87 3.073 -7.214 1.679 1.00 0.00 H new ATOM 0 HE2 HIS A 87 4.847 -5.479 2.243 1.00 0.00 H new ATOM 1353 N MET A 88 -2.431 -2.697 0.785 1.00 0.00 N ATOM 1354 CA MET A 88 -3.510 -1.716 0.723 1.00 0.00 C ATOM 1355 C MET A 88 -4.139 -1.511 2.097 1.00 0.00 C ATOM 1356 O MET A 88 -4.163 -2.423 2.923 1.00 0.00 O ATOM 1357 CB MET A 88 -4.579 -2.154 -0.283 1.00 0.00 C ATOM 1358 CG MET A 88 -5.005 -3.606 -0.135 1.00 0.00 C ATOM 1359 SD MET A 88 -6.087 -3.876 1.282 1.00 0.00 S ATOM 1360 CE MET A 88 -7.570 -3.028 0.744 1.00 0.00 C ATOM 0 H MET A 88 -2.726 -3.631 1.070 1.00 0.00 H new ATOM 0 HA MET A 88 -3.083 -0.769 0.393 1.00 0.00 H new ATOM 0 HB2 MET A 88 -5.455 -1.515 -0.169 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.200 -1.998 -1.293 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.517 -3.924 -1.043 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.118 -4.232 -0.034 1.00 0.00 H new ATOM 0 HE1 MET A 88 -8.261 -2.936 1.582 1.00 0.00 H new ATOM 0 HE2 MET A 88 -7.309 -2.035 0.378 1.00 0.00 H new ATOM 0 HE3 MET A 88 -8.044 -3.596 -0.056 1.00 0.00 H new ATOM 1370 N PHE A 89 -4.644 -0.306 2.334 1.00 0.00 N ATOM 1371 CA PHE A 89 -5.273 0.023 3.608 1.00 0.00 C ATOM 1372 C PHE A 89 -6.625 0.694 3.391 1.00 0.00 C ATOM 1373 O PHE A 89 -6.932 1.153 2.290 1.00 0.00 O ATOM 1374 CB PHE A 89 -4.363 0.939 4.429 1.00 0.00 C ATOM 1375 CG PHE A 89 -2.964 0.415 4.584 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -2.718 -0.731 5.323 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -1.895 1.067 3.990 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -1.432 -1.217 5.467 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -0.607 0.586 4.131 1.00 0.00 C ATOM 1380 CZ PHE A 89 -0.375 -0.557 4.870 1.00 0.00 C ATOM 0 H PHE A 89 -4.630 0.460 1.660 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.432 -0.906 4.156 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.324 1.919 3.954 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.800 1.081 5.417 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.541 -1.251 5.792 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -2.070 1.961 3.410 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.254 -2.111 6.045 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.217 1.104 3.663 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.631 -0.934 4.981 1.00 0.00 H new ATOM 1390 N SER A 90 -7.431 0.748 4.447 1.00 0.00 N ATOM 1391 CA SER A 90 -8.751 1.363 4.371 1.00 0.00 C ATOM 1392 C SER A 90 -8.723 2.779 4.936 1.00 0.00 C ATOM 1393 O SER A 90 -8.127 3.029 5.984 1.00 0.00 O ATOM 1394 CB SER A 90 -9.774 0.518 5.131 1.00 0.00 C ATOM 1395 OG SER A 90 -10.043 -0.695 4.449 1.00 0.00 O ATOM 0 H SER A 90 -7.193 0.373 5.365 1.00 0.00 H new ATOM 0 HA SER A 90 -9.041 1.415 3.322 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.399 0.301 6.131 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.698 1.083 5.253 1.00 0.00 H new ATOM 0 HG SER A 90 -10.516 -0.502 3.612 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.373 3.704 4.236 1.00 0.00 N ATOM 1402 CA PHE A 91 -9.423 5.096 4.668 1.00 0.00 C ATOM 1403 C PHE A 91 -10.859 5.608 4.689 1.00 0.00 C ATOM 1404 O PHE A 91 -11.641 5.331 3.779 1.00 0.00 O ATOM 1405 CB PHE A 91 -8.571 5.969 3.744 1.00 0.00 C ATOM 1406 CG PHE A 91 -7.128 6.046 4.153 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -6.342 4.906 4.186 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -6.558 7.259 4.504 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -5.013 4.974 4.562 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -5.230 7.333 4.881 1.00 0.00 C ATOM 1411 CZ PHE A 91 -4.457 6.189 4.909 1.00 0.00 C ATOM 0 H PHE A 91 -9.872 3.514 3.367 1.00 0.00 H new ATOM 0 HA PHE A 91 -9.022 5.151 5.680 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -8.632 5.577 2.729 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.988 6.976 3.722 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.772 3.953 3.915 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.158 8.157 4.483 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.411 4.078 4.584 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -4.798 8.284 5.153 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.419 6.245 5.202 1.00 0.00 H new ATOM 1421 N ASN A 92 -11.200 6.357 5.733 1.00 0.00 N ATOM 1422 CA ASN A 92 -12.543 6.908 5.872 1.00 0.00 C ATOM 1423 C ASN A 92 -12.543 8.411 5.610 1.00 0.00 C ATOM 1424 O ASN A 92 -13.310 9.157 6.218 1.00 0.00 O ATOM 1425 CB ASN A 92 -13.093 6.623 7.270 1.00 0.00 C ATOM 1426 CG ASN A 92 -13.217 5.138 7.550 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -13.457 4.341 6.643 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -13.054 4.758 8.812 1.00 0.00 N ATOM 0 H ASN A 92 -10.565 6.596 6.495 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.184 6.427 5.133 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -12.439 7.077 8.014 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -14.071 7.093 7.376 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -13.126 3.772 9.061 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -12.856 5.453 9.532 1.00 0.00 H new ATOM 1435 N ASN A 93 -11.677 8.848 4.701 1.00 0.00 N ATOM 1436 CA ASN A 93 -11.577 10.262 4.358 1.00 0.00 C ATOM 1437 C ASN A 93 -10.838 10.450 3.037 1.00 0.00 C ATOM 1438 O ASN A 93 -9.790 9.846 2.809 1.00 0.00 O ATOM 1439 CB ASN A 93 -10.860 11.028 5.471 1.00 0.00 C ATOM 1440 CG ASN A 93 -11.810 11.490 6.559 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -12.621 12.392 6.349 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -11.712 10.873 7.731 1.00 0.00 N ATOM 0 H ASN A 93 -11.035 8.243 4.189 1.00 0.00 H new ATOM 0 HA ASN A 93 -12.587 10.656 4.248 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -10.091 10.392 5.910 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -10.352 11.893 5.044 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -12.324 11.142 8.502 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -11.025 10.130 7.860 1.00 0.00 H new ATOM 1449 N ARG A 94 -11.390 11.293 2.171 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.783 11.562 0.873 1.00 0.00 C ATOM 1451 C ARG A 94 -9.683 12.612 0.993 1.00 0.00 C ATOM 1452 O ARG A 94 -8.705 12.590 0.245 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.845 12.031 -0.124 1.00 0.00 C ATOM 1454 CG ARG A 94 -11.561 11.612 -1.557 1.00 0.00 C ATOM 1455 CD ARG A 94 -12.846 11.322 -2.317 1.00 0.00 C ATOM 1456 NE ARG A 94 -12.769 11.761 -3.708 1.00 0.00 N ATOM 1457 CZ ARG A 94 -12.924 13.024 -4.097 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -13.162 13.977 -3.204 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -12.839 13.337 -5.383 1.00 0.00 N ATOM 0 H ARG A 94 -12.257 11.802 2.345 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.338 10.636 0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -12.814 11.634 0.177 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.918 13.118 -0.080 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -11.007 12.401 -2.065 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -10.927 10.725 -1.559 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -13.053 10.252 -2.285 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -13.680 11.822 -1.824 1.00 0.00 H new ATOM 0 HE ARG A 94 -12.586 11.058 -4.424 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -13.227 13.743 -2.213 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.280 14.943 -3.509 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -12.655 12.610 -6.074 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -12.958 14.305 -5.681 1.00 0.00 H new ATOM 1473 N THR A 95 -9.849 13.530 1.940 1.00 0.00 N ATOM 1474 CA THR A 95 -8.871 14.589 2.158 1.00 0.00 C ATOM 1475 C THR A 95 -7.642 14.053 2.886 1.00 0.00 C ATOM 1476 O THR A 95 -6.527 14.531 2.677 1.00 0.00 O ATOM 1477 CB THR A 95 -9.495 15.730 2.962 1.00 0.00 C ATOM 1478 OG1 THR A 95 -8.581 16.802 3.104 1.00 0.00 O ATOM 1479 CG2 THR A 95 -9.935 15.315 4.349 1.00 0.00 C ATOM 0 H THR A 95 -10.652 13.562 2.568 1.00 0.00 H new ATOM 0 HA THR A 95 -8.559 14.967 1.184 1.00 0.00 H new ATOM 0 HB THR A 95 -10.375 16.034 2.395 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.999 17.523 3.620 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.369 16.172 4.865 1.00 0.00 H new ATOM 0 HG22 THR A 95 -10.680 14.523 4.273 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.074 14.951 4.910 1.00 0.00 H new ATOM 1487 N VAL A 96 -7.853 13.057 3.740 1.00 0.00 N ATOM 1488 CA VAL A 96 -6.762 12.457 4.498 1.00 0.00 C ATOM 1489 C VAL A 96 -5.929 11.529 3.621 1.00 0.00 C ATOM 1490 O VAL A 96 -4.701 11.615 3.600 1.00 0.00 O ATOM 1491 CB VAL A 96 -7.289 11.664 5.709 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -6.137 11.204 6.590 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -8.278 12.500 6.506 1.00 0.00 C ATOM 0 H VAL A 96 -8.769 12.649 3.924 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.136 13.276 4.854 1.00 0.00 H new ATOM 0 HB VAL A 96 -7.810 10.780 5.341 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.529 10.646 7.440 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.470 10.564 6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.585 12.072 6.950 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.639 11.923 7.357 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.785 13.404 6.863 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -9.120 12.773 5.869 1.00 0.00 H new ATOM 1503 N MET A 97 -6.605 10.642 2.898 1.00 0.00 N ATOM 1504 CA MET A 97 -5.927 9.697 2.018 1.00 0.00 C ATOM 1505 C MET A 97 -5.121 10.431 0.950 1.00 0.00 C ATOM 1506 O MET A 97 -4.081 9.947 0.502 1.00 0.00 O ATOM 1507 CB MET A 97 -6.943 8.765 1.355 1.00 0.00 C ATOM 1508 CG MET A 97 -7.920 9.484 0.438 1.00 0.00 C ATOM 1509 SD MET A 97 -9.112 8.364 -0.320 1.00 0.00 S ATOM 1510 CE MET A 97 -8.020 7.257 -1.209 1.00 0.00 C ATOM 0 H MET A 97 -7.622 10.558 2.904 1.00 0.00 H new ATOM 0 HA MET A 97 -5.241 9.104 2.623 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.409 8.008 0.781 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.503 8.241 2.130 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.453 10.245 1.007 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.365 10.001 -0.344 1.00 0.00 H new ATOM 0 HE1 MET A 97 -8.545 6.840 -2.068 1.00 0.00 H new ATOM 0 HE2 MET A 97 -7.144 7.808 -1.552 1.00 0.00 H new ATOM 0 HE3 MET A 97 -7.705 6.449 -0.549 1.00 0.00 H new ATOM 1520 N ASP A 98 -5.608 11.600 0.548 1.00 0.00 N ATOM 1521 CA ASP A 98 -4.932 12.400 -0.467 1.00 0.00 C ATOM 1522 C ASP A 98 -3.585 12.901 0.042 1.00 0.00 C ATOM 1523 O ASP A 98 -2.642 13.069 -0.730 1.00 0.00 O ATOM 1524 CB ASP A 98 -5.808 13.585 -0.879 1.00 0.00 C ATOM 1525 CG ASP A 98 -6.710 13.257 -2.052 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -7.461 12.263 -1.965 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -6.666 13.995 -3.059 1.00 0.00 O ATOM 0 H ASP A 98 -6.467 12.014 0.909 1.00 0.00 H new ATOM 0 HA ASP A 98 -4.758 11.766 -1.336 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -6.418 13.894 -0.030 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -5.171 14.431 -1.139 1.00 0.00 H new ATOM 1532 N ASN A 99 -3.503 13.139 1.347 1.00 0.00 N ATOM 1533 CA ASN A 99 -2.271 13.621 1.960 1.00 0.00 C ATOM 1534 C ASN A 99 -1.238 12.502 2.067 1.00 0.00 C ATOM 1535 O ASN A 99 -0.035 12.758 2.112 1.00 0.00 O ATOM 1536 CB ASN A 99 -2.558 14.200 3.347 1.00 0.00 C ATOM 1537 CG ASN A 99 -3.466 15.412 3.290 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -3.264 16.317 2.480 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -4.475 15.437 4.154 1.00 0.00 N ATOM 0 H ASN A 99 -4.275 13.006 2.000 1.00 0.00 H new ATOM 0 HA ASN A 99 -1.863 14.406 1.323 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -3.019 13.433 3.970 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -1.618 14.476 3.824 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -5.119 16.228 4.163 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -4.606 14.665 4.808 1.00 0.00 H new ATOM 1546 N ILE A 100 -1.714 11.262 2.107 1.00 0.00 N ATOM 1547 CA ILE A 100 -0.828 10.108 2.207 1.00 0.00 C ATOM 1548 C ILE A 100 -0.099 9.867 0.889 1.00 0.00 C ATOM 1549 O ILE A 100 1.126 9.752 0.858 1.00 0.00 O ATOM 1550 CB ILE A 100 -1.606 8.835 2.595 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -2.417 9.076 3.870 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -0.652 7.663 2.780 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -1.562 9.313 5.097 1.00 0.00 C ATOM 0 H ILE A 100 -2.707 11.031 2.072 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.100 10.329 2.988 1.00 0.00 H new ATOM 0 HB ILE A 100 -2.296 8.590 1.788 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -3.068 9.937 3.719 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -3.063 8.216 4.048 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.218 6.773 3.054 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.116 7.480 1.849 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.062 7.896 3.570 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.205 9.476 5.962 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.930 8.443 5.274 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.935 10.191 4.940 1.00 0.00 H new ATOM 1565 N LYS A 101 -0.861 9.791 -0.197 1.00 0.00 N ATOM 1566 CA LYS A 101 -0.289 9.563 -1.519 1.00 0.00 C ATOM 1567 C LYS A 101 0.619 10.720 -1.926 1.00 0.00 C ATOM 1568 O LYS A 101 1.745 10.509 -2.375 1.00 0.00 O ATOM 1569 CB LYS A 101 -1.400 9.384 -2.555 1.00 0.00 C ATOM 1570 CG LYS A 101 -2.106 8.042 -2.463 1.00 0.00 C ATOM 1571 CD LYS A 101 -2.622 7.590 -3.820 1.00 0.00 C ATOM 1572 CE LYS A 101 -3.891 8.331 -4.209 1.00 0.00 C ATOM 1573 NZ LYS A 101 -4.134 8.284 -5.677 1.00 0.00 N ATOM 0 H LYS A 101 -1.877 9.884 -0.188 1.00 0.00 H new ATOM 0 HA LYS A 101 0.309 8.653 -1.476 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -2.134 10.180 -2.430 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.976 9.495 -3.553 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -1.419 7.295 -2.066 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -2.938 8.114 -1.762 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.855 7.758 -4.576 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.818 6.518 -3.797 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -4.741 7.893 -3.686 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -3.818 9.370 -3.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -5.008 8.801 -5.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.334 8.724 -6.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -4.229 7.294 -5.982 1.00 0.00 H new ATOM 1587 N MET A 102 0.120 11.942 -1.766 1.00 0.00 N ATOM 1588 CA MET A 102 0.887 13.132 -2.118 1.00 0.00 C ATOM 1589 C MET A 102 2.189 13.194 -1.324 1.00 0.00 C ATOM 1590 O MET A 102 3.218 13.642 -1.831 1.00 0.00 O ATOM 1591 CB MET A 102 0.055 14.395 -1.870 1.00 0.00 C ATOM 1592 CG MET A 102 -0.127 14.732 -0.399 1.00 0.00 C ATOM 1593 SD MET A 102 1.197 15.774 0.244 1.00 0.00 S ATOM 1594 CE MET A 102 0.515 17.405 -0.044 1.00 0.00 C ATOM 0 H MET A 102 -0.811 12.134 -1.395 1.00 0.00 H new ATOM 0 HA MET A 102 1.134 13.076 -3.178 1.00 0.00 H new ATOM 0 HB2 MET A 102 0.533 15.238 -2.369 1.00 0.00 H new ATOM 0 HB3 MET A 102 -0.926 14.268 -2.328 1.00 0.00 H new ATOM 0 HG2 MET A 102 -1.082 15.239 -0.262 1.00 0.00 H new ATOM 0 HG3 MET A 102 -0.170 13.809 0.179 1.00 0.00 H new ATOM 0 HE1 MET A 102 1.220 18.161 0.302 1.00 0.00 H new ATOM 0 HE2 MET A 102 0.333 17.540 -1.110 1.00 0.00 H new ATOM 0 HE3 MET A 102 -0.424 17.508 0.500 1.00 0.00 H new ATOM 1604 N THR A 103 2.134 12.742 -0.075 1.00 0.00 N ATOM 1605 CA THR A 103 3.306 12.745 0.792 1.00 0.00 C ATOM 1606 C THR A 103 4.162 11.503 0.560 1.00 0.00 C ATOM 1607 O THR A 103 5.375 11.525 0.769 1.00 0.00 O ATOM 1608 CB THR A 103 2.878 12.818 2.259 1.00 0.00 C ATOM 1609 OG1 THR A 103 2.102 13.978 2.498 1.00 0.00 O ATOM 1610 CG2 THR A 103 4.044 12.839 3.225 1.00 0.00 C ATOM 0 H THR A 103 1.290 12.369 0.359 1.00 0.00 H new ATOM 0 HA THR A 103 3.904 13.623 0.549 1.00 0.00 H new ATOM 0 HB THR A 103 2.299 11.911 2.435 1.00 0.00 H new ATOM 0 HG1 THR A 103 1.283 13.940 1.961 1.00 0.00 H new ATOM 0 HG21 THR A 103 3.669 12.891 4.247 1.00 0.00 H new ATOM 0 HG22 THR A 103 4.635 11.932 3.101 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.668 13.709 3.023 1.00 0.00 H new ATOM 1618 N LEU A 104 3.523 10.420 0.128 1.00 0.00 N ATOM 1619 CA LEU A 104 4.229 9.170 -0.131 1.00 0.00 C ATOM 1620 C LEU A 104 4.925 9.207 -1.488 1.00 0.00 C ATOM 1621 O LEU A 104 5.961 8.571 -1.682 1.00 0.00 O ATOM 1622 CB LEU A 104 3.256 7.990 -0.075 1.00 0.00 C ATOM 1623 CG LEU A 104 3.074 7.366 1.309 1.00 0.00 C ATOM 1624 CD1 LEU A 104 1.903 6.396 1.308 1.00 0.00 C ATOM 1625 CD2 LEU A 104 4.350 6.663 1.747 1.00 0.00 C ATOM 0 H LEU A 104 2.519 10.383 -0.050 1.00 0.00 H new ATOM 0 HA LEU A 104 4.988 9.044 0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 104 2.283 8.323 -0.437 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.605 7.219 -0.762 1.00 0.00 H new ATOM 0 HG LEU A 104 2.858 8.163 2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.789 5.962 2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.991 6.927 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.089 5.602 0.584 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.203 6.224 2.734 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.595 5.877 1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.167 7.384 1.788 1.00 0.00 H new ATOM 1637 N GLN A 105 4.349 9.955 -2.423 1.00 0.00 N ATOM 1638 CA GLN A 105 4.915 10.073 -3.762 1.00 0.00 C ATOM 1639 C GLN A 105 6.176 10.931 -3.749 1.00 0.00 C ATOM 1640 O GLN A 105 7.084 10.729 -4.555 1.00 0.00 O ATOM 1641 CB GLN A 105 3.886 10.675 -4.722 1.00 0.00 C ATOM 1642 CG GLN A 105 2.830 9.684 -5.182 1.00 0.00 C ATOM 1643 CD GLN A 105 2.066 10.169 -6.398 1.00 0.00 C ATOM 1644 OE1 GLN A 105 1.608 11.311 -6.443 1.00 0.00 O ATOM 1645 NE2 GLN A 105 1.925 9.302 -7.394 1.00 0.00 N ATOM 0 H GLN A 105 3.491 10.488 -2.279 1.00 0.00 H new ATOM 0 HA GLN A 105 5.182 9.073 -4.104 1.00 0.00 H new ATOM 0 HB2 GLN A 105 3.394 11.516 -4.233 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.404 11.072 -5.595 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.307 8.732 -5.413 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.130 9.500 -4.367 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.321 8.365 -7.315 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.421 9.573 -8.238 1.00 0.00 H new ATOM 1654 N GLN A 106 6.225 11.891 -2.831 1.00 0.00 N ATOM 1655 CA GLN A 106 7.374 12.781 -2.716 1.00 0.00 C ATOM 1656 C GLN A 106 8.586 12.043 -2.153 1.00 0.00 C ATOM 1657 O GLN A 106 9.729 12.398 -2.441 1.00 0.00 O ATOM 1658 CB GLN A 106 7.032 13.979 -1.827 1.00 0.00 C ATOM 1659 CG GLN A 106 6.743 13.608 -0.382 1.00 0.00 C ATOM 1660 CD GLN A 106 7.217 14.664 0.597 1.00 0.00 C ATOM 1661 OE1 GLN A 106 7.297 15.846 0.262 1.00 0.00 O ATOM 1662 NE2 GLN A 106 7.533 14.243 1.816 1.00 0.00 N ATOM 0 H GLN A 106 5.482 12.072 -2.156 1.00 0.00 H new ATOM 0 HA GLN A 106 7.624 13.138 -3.715 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.861 14.686 -1.852 1.00 0.00 H new ATOM 0 HB3 GLN A 106 6.164 14.491 -2.242 1.00 0.00 H new ATOM 0 HG2 GLN A 106 5.671 13.457 -0.257 1.00 0.00 H new ATOM 0 HG3 GLN A 106 7.228 12.659 -0.150 1.00 0.00 H new ATOM 0 HE21 GLN A 106 7.452 13.254 2.051 1.00 0.00 H new ATOM 0 HE22 GLN A 106 7.857 14.909 2.518 1.00 0.00 H new ATOM 1671 N ILE A 107 8.329 11.017 -1.349 1.00 0.00 N ATOM 1672 CA ILE A 107 9.399 10.231 -0.746 1.00 0.00 C ATOM 1673 C ILE A 107 10.106 9.372 -1.789 1.00 0.00 C ATOM 1674 O ILE A 107 11.314 9.490 -1.989 1.00 0.00 O ATOM 1675 CB ILE A 107 8.864 9.322 0.378 1.00 0.00 C ATOM 1676 CG1 ILE A 107 8.032 10.136 1.371 1.00 0.00 C ATOM 1677 CG2 ILE A 107 10.014 8.626 1.091 1.00 0.00 C ATOM 1678 CD1 ILE A 107 6.985 9.317 2.095 1.00 0.00 C ATOM 0 H ILE A 107 7.389 10.710 -1.100 1.00 0.00 H new ATOM 0 HA ILE A 107 10.111 10.939 -0.321 1.00 0.00 H new ATOM 0 HB ILE A 107 8.223 8.561 -0.067 1.00 0.00 H new ATOM 0 HG12 ILE A 107 8.698 10.590 2.105 1.00 0.00 H new ATOM 0 HG13 ILE A 107 7.541 10.951 0.839 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.619 7.988 1.882 1.00 0.00 H new ATOM 0 HG22 ILE A 107 10.570 8.018 0.377 1.00 0.00 H new ATOM 0 HG23 ILE A 107 10.678 9.373 1.525 1.00 0.00 H new ATOM 0 HD11 ILE A 107 6.433 9.958 2.783 1.00 0.00 H new ATOM 0 HD12 ILE A 107 6.296 8.884 1.370 1.00 0.00 H new ATOM 0 HD13 ILE A 107 7.471 8.518 2.655 1.00 0.00 H new ATOM 1690 N ILE A 108 9.344 8.507 -2.451 1.00 0.00 N ATOM 1691 CA ILE A 108 9.899 7.628 -3.474 1.00 0.00 C ATOM 1692 C ILE A 108 10.540 8.432 -4.601 1.00 0.00 C ATOM 1693 O ILE A 108 11.492 7.979 -5.236 1.00 0.00 O ATOM 1694 CB ILE A 108 8.818 6.703 -4.068 1.00 0.00 C ATOM 1695 CG1 ILE A 108 8.046 5.995 -2.951 1.00 0.00 C ATOM 1696 CG2 ILE A 108 9.448 5.687 -5.010 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.548 5.994 -3.160 1.00 0.00 C ATOM 0 H ILE A 108 8.342 8.396 -2.298 1.00 0.00 H new ATOM 0 HA ILE A 108 10.660 7.018 -2.988 1.00 0.00 H new ATOM 0 HB ILE A 108 8.116 7.312 -4.638 1.00 0.00 H new ATOM 0 HG12 ILE A 108 8.395 4.965 -2.875 1.00 0.00 H new ATOM 0 HG13 ILE A 108 8.272 6.479 -2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.672 5.042 -5.421 1.00 0.00 H new ATOM 0 HG22 ILE A 108 9.954 6.209 -5.822 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.170 5.082 -4.462 1.00 0.00 H new ATOM 0 HD11 ILE A 108 6.065 5.476 -2.331 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.186 7.021 -3.206 1.00 0.00 H new ATOM 0 HD13 ILE A 108 6.311 5.484 -4.094 1.00 0.00 H new ATOM 1709 N SER A 109 10.010 9.626 -4.844 1.00 0.00 N ATOM 1710 CA SER A 109 10.529 10.494 -5.895 1.00 0.00 C ATOM 1711 C SER A 109 11.963 10.924 -5.595 1.00 0.00 C ATOM 1712 O SER A 109 12.728 11.242 -6.505 1.00 0.00 O ATOM 1713 CB SER A 109 9.638 11.727 -6.053 1.00 0.00 C ATOM 1714 OG SER A 109 8.620 11.501 -7.013 1.00 0.00 O ATOM 0 H SER A 109 9.221 10.015 -4.327 1.00 0.00 H new ATOM 0 HA SER A 109 10.528 9.929 -6.827 1.00 0.00 H new ATOM 0 HB2 SER A 109 9.187 11.979 -5.093 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.244 12.581 -6.355 1.00 0.00 H new ATOM 0 HG SER A 109 7.804 11.200 -6.560 1.00 0.00 H new ATOM 1720 N ARG A 110 12.320 10.935 -4.314 1.00 0.00 N ATOM 1721 CA ARG A 110 13.661 11.330 -3.898 1.00 0.00 C ATOM 1722 C ARG A 110 14.611 10.136 -3.895 1.00 0.00 C ATOM 1723 O ARG A 110 15.820 10.294 -4.064 1.00 0.00 O ATOM 1724 CB ARG A 110 13.619 11.966 -2.508 1.00 0.00 C ATOM 1725 CG ARG A 110 12.840 13.270 -2.458 1.00 0.00 C ATOM 1726 CD ARG A 110 12.160 13.463 -1.112 1.00 0.00 C ATOM 1727 NE ARG A 110 13.110 13.393 -0.004 1.00 0.00 N ATOM 1728 CZ ARG A 110 13.914 14.393 0.347 1.00 0.00 C ATOM 1729 NH1 ARG A 110 13.888 15.541 -0.319 1.00 0.00 N ATOM 1730 NH2 ARG A 110 14.748 14.246 1.368 1.00 0.00 N ATOM 0 H ARG A 110 11.700 10.675 -3.547 1.00 0.00 H new ATOM 0 HA ARG A 110 14.033 12.061 -4.616 1.00 0.00 H new ATOM 0 HB2 ARG A 110 13.173 11.259 -1.808 1.00 0.00 H new ATOM 0 HB3 ARG A 110 14.639 12.149 -2.170 1.00 0.00 H new ATOM 0 HG2 ARG A 110 13.514 14.105 -2.649 1.00 0.00 H new ATOM 0 HG3 ARG A 110 12.091 13.278 -3.250 1.00 0.00 H new ATOM 0 HD2 ARG A 110 11.655 14.429 -1.096 1.00 0.00 H new ATOM 0 HD3 ARG A 110 11.393 12.700 -0.981 1.00 0.00 H new ATOM 0 HE ARG A 110 13.160 12.526 0.532 1.00 0.00 H new ATOM 0 HH11 ARG A 110 13.249 15.660 -1.105 1.00 0.00 H new ATOM 0 HH12 ARG A 110 14.507 16.304 -0.045 1.00 0.00 H new ATOM 0 HH21 ARG A 110 14.773 13.366 1.884 1.00 0.00 H new ATOM 0 HH22 ARG A 110 15.365 15.013 1.637 1.00 0.00 H new ATOM 1744 N TYR A 111 14.061 8.942 -3.697 1.00 0.00 N ATOM 1745 CA TYR A 111 14.867 7.726 -3.668 1.00 0.00 C ATOM 1746 C TYR A 111 15.003 7.111 -5.061 1.00 0.00 C ATOM 1747 O TYR A 111 15.820 6.214 -5.271 1.00 0.00 O ATOM 1748 CB TYR A 111 14.253 6.705 -2.707 1.00 0.00 C ATOM 1749 CG TYR A 111 13.926 7.267 -1.339 1.00 0.00 C ATOM 1750 CD1 TYR A 111 14.619 8.358 -0.826 1.00 0.00 C ATOM 1751 CD2 TYR A 111 12.922 6.704 -0.560 1.00 0.00 C ATOM 1752 CE1 TYR A 111 14.321 8.870 0.422 1.00 0.00 C ATOM 1753 CE2 TYR A 111 12.618 7.212 0.689 1.00 0.00 C ATOM 1754 CZ TYR A 111 13.320 8.294 1.175 1.00 0.00 C ATOM 1755 OH TYR A 111 13.020 8.802 2.418 1.00 0.00 O ATOM 0 H TYR A 111 13.062 8.790 -3.554 1.00 0.00 H new ATOM 0 HA TYR A 111 15.863 7.998 -3.319 1.00 0.00 H new ATOM 0 HB2 TYR A 111 13.342 6.305 -3.152 1.00 0.00 H new ATOM 0 HB3 TYR A 111 14.944 5.870 -2.590 1.00 0.00 H new ATOM 0 HD1 TYR A 111 15.403 8.813 -1.413 1.00 0.00 H new ATOM 0 HD2 TYR A 111 12.370 5.856 -0.937 1.00 0.00 H new ATOM 0 HE1 TYR A 111 14.870 9.717 0.806 1.00 0.00 H new ATOM 0 HE2 TYR A 111 11.834 6.763 1.281 1.00 0.00 H new ATOM 0 HH TYR A 111 13.842 8.883 2.945 1.00 0.00 H new ATOM 1765 N LYS A 112 14.205 7.595 -6.009 1.00 0.00 N ATOM 1766 CA LYS A 112 14.251 7.083 -7.374 1.00 0.00 C ATOM 1767 C LYS A 112 15.314 7.810 -8.192 1.00 0.00 C ATOM 1768 O LYS A 112 15.905 7.239 -9.108 1.00 0.00 O ATOM 1769 CB LYS A 112 12.883 7.230 -8.045 1.00 0.00 C ATOM 1770 CG LYS A 112 12.456 8.674 -8.248 1.00 0.00 C ATOM 1771 CD LYS A 112 11.185 8.767 -9.078 1.00 0.00 C ATOM 1772 CE LYS A 112 10.025 8.054 -8.403 1.00 0.00 C ATOM 1773 NZ LYS A 112 9.849 6.669 -8.920 1.00 0.00 N ATOM 0 H LYS A 112 13.522 8.337 -5.858 1.00 0.00 H new ATOM 0 HA LYS A 112 14.513 6.026 -7.330 1.00 0.00 H new ATOM 0 HB2 LYS A 112 12.906 6.728 -9.012 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.134 6.720 -7.439 1.00 0.00 H new ATOM 0 HG2 LYS A 112 12.295 9.147 -7.279 1.00 0.00 H new ATOM 0 HG3 LYS A 112 13.256 9.225 -8.742 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.928 9.814 -9.235 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.359 8.331 -10.062 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.196 8.021 -7.327 1.00 0.00 H new ATOM 0 HE3 LYS A 112 9.108 8.621 -8.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 9.014 6.633 -9.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.692 6.391 -9.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 9.718 6.015 -8.122 1.00 0.00 H new ATOM 1787 N ASP A 113 15.553 9.073 -7.853 1.00 0.00 N ATOM 1788 CA ASP A 113 16.546 9.879 -8.555 1.00 0.00 C ATOM 1789 C ASP A 113 17.828 9.993 -7.738 1.00 0.00 C ATOM 1790 O ASP A 113 18.923 10.093 -8.293 1.00 0.00 O ATOM 1791 CB ASP A 113 15.988 11.272 -8.848 1.00 0.00 C ATOM 1792 CG ASP A 113 15.286 11.344 -10.190 1.00 0.00 C ATOM 1793 OD1 ASP A 113 15.748 10.677 -11.138 1.00 0.00 O ATOM 1794 OD2 ASP A 113 14.273 12.068 -10.292 1.00 0.00 O ATOM 0 H ASP A 113 15.073 9.560 -7.097 1.00 0.00 H new ATOM 0 HA ASP A 113 16.780 9.384 -9.498 1.00 0.00 H new ATOM 0 HB2 ASP A 113 15.289 11.553 -8.060 1.00 0.00 H new ATOM 0 HB3 ASP A 113 16.801 11.998 -8.827 1.00 0.00 H new ATOM 1799 N ALA A 114 17.686 9.977 -6.417 1.00 0.00 N ATOM 1800 CA ALA A 114 18.833 10.079 -5.523 1.00 0.00 C ATOM 1801 C ALA A 114 19.216 8.713 -4.963 1.00 0.00 C ATOM 1802 O ALA A 114 19.722 8.609 -3.846 1.00 0.00 O ATOM 1803 CB ALA A 114 18.535 11.051 -4.391 1.00 0.00 C ATOM 0 H ALA A 114 16.787 9.894 -5.942 1.00 0.00 H new ATOM 0 HA ALA A 114 19.678 10.457 -6.098 1.00 0.00 H new ATOM 0 HB1 ALA A 114 19.400 11.117 -3.731 1.00 0.00 H new ATOM 0 HB2 ALA A 114 18.318 12.036 -4.805 1.00 0.00 H new ATOM 0 HB3 ALA A 114 17.673 10.697 -3.825 1.00 0.00 H new ATOM 1809 N ASP A 115 18.971 7.668 -5.746 1.00 0.00 N ATOM 1810 CA ASP A 115 19.290 6.308 -5.328 1.00 0.00 C ATOM 1811 C ASP A 115 18.989 5.311 -6.443 1.00 0.00 C ATOM 1812 O ASP A 115 19.775 4.355 -6.609 1.00 0.00 O ATOM 1813 CB ASP A 115 18.501 5.940 -4.070 1.00 0.00 C ATOM 1814 CG ASP A 115 19.321 6.101 -2.805 1.00 0.00 C ATOM 1815 OD1 ASP A 115 20.562 5.987 -2.884 1.00 0.00 O ATOM 1816 OD2 ASP A 115 18.722 6.342 -1.735 1.00 0.00 O ATOM 1817 OXT ASP A 115 17.969 5.495 -7.140 1.00 0.00 O ATOM 0 H ASP A 115 18.552 7.737 -6.674 1.00 0.00 H new ATOM 0 HA ASP A 115 20.356 6.264 -5.105 1.00 0.00 H new ATOM 0 HB2 ASP A 115 17.612 6.567 -4.006 1.00 0.00 H new ATOM 0 HB3 ASP A 115 18.158 4.908 -4.148 1.00 0.00 H new TER 1822 ASP A 115 ATOM 1823 N ASP B 453 -14.729 -14.991 -6.503 1.00 0.00 N ATOM 1824 CA ASP B 453 -15.046 -13.630 -6.918 1.00 0.00 C ATOM 1825 C ASP B 453 -14.742 -12.636 -5.802 1.00 0.00 C ATOM 1826 O ASP B 453 -15.642 -12.191 -5.090 1.00 0.00 O ATOM 1827 CB ASP B 453 -16.518 -13.527 -7.321 1.00 0.00 C ATOM 1828 CG ASP B 453 -16.791 -14.147 -8.677 1.00 0.00 C ATOM 1829 OD1 ASP B 453 -16.179 -15.191 -8.987 1.00 0.00 O ATOM 1830 OD2 ASP B 453 -17.616 -13.589 -9.430 1.00 0.00 O ATOM 0 HA ASP B 453 -14.423 -13.385 -7.778 1.00 0.00 H new ATOM 0 HB2 ASP B 453 -17.133 -14.020 -6.569 1.00 0.00 H new ATOM 0 HB3 ASP B 453 -16.815 -12.478 -7.338 1.00 0.00 H new ATOM 1835 N LEU B 454 -13.466 -12.292 -5.654 1.00 0.00 N ATOM 1836 CA LEU B 454 -13.043 -11.351 -4.624 1.00 0.00 C ATOM 1837 C LEU B 454 -11.804 -10.580 -5.068 1.00 0.00 C ATOM 1838 O LEU B 454 -11.818 -9.351 -5.137 1.00 0.00 O ATOM 1839 CB LEU B 454 -12.756 -12.090 -3.316 1.00 0.00 C ATOM 1840 CG LEU B 454 -13.021 -11.283 -2.044 1.00 0.00 C ATOM 1841 CD1 LEU B 454 -13.294 -12.210 -0.870 1.00 0.00 C ATOM 1842 CD2 LEU B 454 -11.844 -10.368 -1.740 1.00 0.00 C ATOM 0 H LEU B 454 -12.708 -12.651 -6.234 1.00 0.00 H new ATOM 0 HA LEU B 454 -13.853 -10.640 -4.461 1.00 0.00 H new ATOM 0 HB2 LEU B 454 -13.363 -12.995 -3.287 1.00 0.00 H new ATOM 0 HB3 LEU B 454 -11.713 -12.406 -3.317 1.00 0.00 H new ATOM 0 HG LEU B 454 -13.905 -10.666 -2.206 1.00 0.00 H new ATOM 0 HD11 LEU B 454 -13.480 -11.618 0.026 1.00 0.00 H new ATOM 0 HD12 LEU B 454 -14.168 -12.824 -1.087 1.00 0.00 H new ATOM 0 HD13 LEU B 454 -12.430 -12.854 -0.706 1.00 0.00 H new ATOM 0 HD21 LEU B 454 -12.049 -9.801 -0.832 1.00 0.00 H new ATOM 0 HD22 LEU B 454 -10.944 -10.967 -1.598 1.00 0.00 H new ATOM 0 HD23 LEU B 454 -11.694 -9.679 -2.572 1.00 0.00 H new ATOM 1854 N ASP B 455 -10.735 -11.310 -5.368 1.00 0.00 N ATOM 1855 CA ASP B 455 -9.487 -10.694 -5.805 1.00 0.00 C ATOM 1856 C ASP B 455 -9.695 -9.895 -7.087 1.00 0.00 C ATOM 1857 O ASP B 455 -9.067 -8.856 -7.292 1.00 0.00 O ATOM 1858 CB ASP B 455 -8.416 -11.764 -6.026 1.00 0.00 C ATOM 1859 CG ASP B 455 -8.831 -12.793 -7.058 1.00 0.00 C ATOM 1860 OD1 ASP B 455 -9.477 -13.792 -6.675 1.00 0.00 O ATOM 1861 OD2 ASP B 455 -8.511 -12.601 -8.250 1.00 0.00 O ATOM 0 H ASP B 455 -10.708 -12.328 -5.317 1.00 0.00 H new ATOM 0 HA ASP B 455 -9.154 -10.012 -5.023 1.00 0.00 H new ATOM 0 HB2 ASP B 455 -7.490 -11.286 -6.345 1.00 0.00 H new ATOM 0 HB3 ASP B 455 -8.207 -12.265 -5.081 1.00 0.00 H new ATOM 1866 N GLU B 456 -10.582 -10.386 -7.948 1.00 0.00 N ATOM 1867 CA GLU B 456 -10.873 -9.717 -9.210 1.00 0.00 C ATOM 1868 C GLU B 456 -11.588 -8.391 -8.971 1.00 0.00 C ATOM 1869 O GLU B 456 -11.354 -7.412 -9.680 1.00 0.00 O ATOM 1870 CB GLU B 456 -11.728 -10.617 -10.103 1.00 0.00 C ATOM 1871 CG GLU B 456 -13.074 -10.976 -9.494 1.00 0.00 C ATOM 1872 CD GLU B 456 -13.641 -12.266 -10.052 1.00 0.00 C ATOM 1873 OE1 GLU B 456 -12.845 -13.163 -10.400 1.00 0.00 O ATOM 1874 OE2 GLU B 456 -14.882 -12.379 -10.142 1.00 0.00 O ATOM 0 H GLU B 456 -11.111 -11.244 -7.794 1.00 0.00 H new ATOM 0 HA GLU B 456 -9.927 -9.513 -9.711 1.00 0.00 H new ATOM 0 HB2 GLU B 456 -11.892 -10.117 -11.058 1.00 0.00 H new ATOM 0 HB3 GLU B 456 -11.178 -11.534 -10.314 1.00 0.00 H new ATOM 0 HG2 GLU B 456 -12.967 -11.068 -8.413 1.00 0.00 H new ATOM 0 HG3 GLU B 456 -13.779 -10.165 -9.676 1.00 0.00 H new ATOM 1881 N SER B 457 -12.461 -8.368 -7.969 1.00 0.00 N ATOM 1882 CA SER B 457 -13.211 -7.163 -7.636 1.00 0.00 C ATOM 1883 C SER B 457 -12.391 -6.241 -6.739 1.00 0.00 C ATOM 1884 O SER B 457 -12.509 -5.018 -6.815 1.00 0.00 O ATOM 1885 CB SER B 457 -14.525 -7.529 -6.945 1.00 0.00 C ATOM 1886 OG SER B 457 -15.297 -6.373 -6.670 1.00 0.00 O ATOM 0 H SER B 457 -12.666 -9.170 -7.374 1.00 0.00 H new ATOM 0 HA SER B 457 -13.431 -6.635 -8.564 1.00 0.00 H new ATOM 0 HB2 SER B 457 -15.095 -8.209 -7.578 1.00 0.00 H new ATOM 0 HB3 SER B 457 -14.315 -8.059 -6.016 1.00 0.00 H new ATOM 0 HG SER B 457 -16.132 -6.635 -6.230 1.00 0.00 H new ATOM 1892 N TRP B 458 -11.561 -6.836 -5.889 1.00 0.00 N ATOM 1893 CA TRP B 458 -10.722 -6.068 -4.976 1.00 0.00 C ATOM 1894 C TRP B 458 -9.493 -5.520 -5.696 1.00 0.00 C ATOM 1895 O TRP B 458 -8.956 -4.478 -5.320 1.00 0.00 O ATOM 1896 CB TRP B 458 -10.291 -6.938 -3.793 1.00 0.00 C ATOM 1897 CG TRP B 458 -10.424 -6.248 -2.470 1.00 0.00 C ATOM 1898 CD1 TRP B 458 -9.509 -6.234 -1.456 1.00 0.00 C ATOM 1899 CD2 TRP B 458 -11.538 -5.471 -2.016 1.00 0.00 C ATOM 1900 NE1 TRP B 458 -9.986 -5.496 -0.400 1.00 0.00 N ATOM 1901 CE2 TRP B 458 -11.230 -5.017 -0.719 1.00 0.00 C ATOM 1902 CE3 TRP B 458 -12.767 -5.115 -2.580 1.00 0.00 C ATOM 1903 CZ2 TRP B 458 -12.105 -4.226 0.021 1.00 0.00 C ATOM 1904 CZ3 TRP B 458 -13.634 -4.330 -1.844 1.00 0.00 C ATOM 1905 CH2 TRP B 458 -13.300 -3.893 -0.556 1.00 0.00 C ATOM 0 H TRP B 458 -11.451 -7.847 -5.813 1.00 0.00 H new ATOM 0 HA TRP B 458 -11.307 -5.227 -4.605 1.00 0.00 H new ATOM 0 HB2 TRP B 458 -10.891 -7.848 -3.782 1.00 0.00 H new ATOM 0 HB3 TRP B 458 -9.254 -7.242 -3.934 1.00 0.00 H new ATOM 0 HD1 TRP B 458 -8.550 -6.731 -1.481 1.00 0.00 H new ATOM 0 HE1 TRP B 458 -9.494 -5.331 0.478 1.00 0.00 H new ATOM 0 HE3 TRP B 458 -13.034 -5.447 -3.572 1.00 0.00 H new ATOM 0 HZ2 TRP B 458 -11.850 -3.888 1.014 1.00 0.00 H new ATOM 0 HZ3 TRP B 458 -14.586 -4.049 -2.270 1.00 0.00 H new ATOM 0 HH2 TRP B 458 -14.000 -3.281 -0.007 1.00 0.00 H new ATOM 1916 N ASP B 459 -9.051 -6.228 -6.730 1.00 0.00 N ATOM 1917 CA ASP B 459 -7.885 -5.809 -7.499 1.00 0.00 C ATOM 1918 C ASP B 459 -8.240 -4.681 -8.462 1.00 0.00 C ATOM 1919 O ASP B 459 -7.407 -3.827 -8.767 1.00 0.00 O ATOM 1920 CB ASP B 459 -7.309 -6.994 -8.276 1.00 0.00 C ATOM 1921 CG ASP B 459 -6.032 -6.638 -9.013 1.00 0.00 C ATOM 1922 OD1 ASP B 459 -5.069 -6.197 -8.352 1.00 0.00 O ATOM 1923 OD2 ASP B 459 -5.996 -6.799 -10.251 1.00 0.00 O ATOM 0 H ASP B 459 -9.482 -7.094 -7.054 1.00 0.00 H new ATOM 0 HA ASP B 459 -7.135 -5.440 -6.799 1.00 0.00 H new ATOM 0 HB2 ASP B 459 -7.110 -7.815 -7.587 1.00 0.00 H new ATOM 0 HB3 ASP B 459 -8.050 -7.351 -8.991 1.00 0.00 H new ATOM 1928 N TYR B 460 -9.481 -4.683 -8.938 1.00 0.00 N ATOM 1929 CA TYR B 460 -9.945 -3.659 -9.868 1.00 0.00 C ATOM 1930 C TYR B 460 -10.116 -2.316 -9.163 1.00 0.00 C ATOM 1931 O TYR B 460 -9.744 -1.272 -9.698 1.00 0.00 O ATOM 1932 CB TYR B 460 -11.268 -4.085 -10.508 1.00 0.00 C ATOM 1933 CG TYR B 460 -11.348 -3.785 -11.988 1.00 0.00 C ATOM 1934 CD1 TYR B 460 -10.558 -4.475 -12.899 1.00 0.00 C ATOM 1935 CD2 TYR B 460 -12.213 -2.813 -12.474 1.00 0.00 C ATOM 1936 CE1 TYR B 460 -10.628 -4.205 -14.253 1.00 0.00 C ATOM 1937 CE2 TYR B 460 -12.289 -2.537 -13.826 1.00 0.00 C ATOM 1938 CZ TYR B 460 -11.495 -3.235 -14.711 1.00 0.00 C ATOM 1939 OH TYR B 460 -11.567 -2.963 -16.057 1.00 0.00 O ATOM 0 H TYR B 460 -10.183 -5.382 -8.695 1.00 0.00 H new ATOM 0 HA TYR B 460 -9.191 -3.544 -10.647 1.00 0.00 H new ATOM 0 HB2 TYR B 460 -11.409 -5.155 -10.354 1.00 0.00 H new ATOM 0 HB3 TYR B 460 -12.088 -3.579 -9.998 1.00 0.00 H new ATOM 0 HD1 TYR B 460 -9.878 -5.235 -12.544 1.00 0.00 H new ATOM 0 HD2 TYR B 460 -12.836 -2.264 -11.784 1.00 0.00 H new ATOM 0 HE1 TYR B 460 -10.007 -4.751 -14.948 1.00 0.00 H new ATOM 0 HE2 TYR B 460 -12.967 -1.778 -14.188 1.00 0.00 H new ATOM 0 HH TYR B 460 -12.226 -2.255 -16.213 1.00 0.00 H new ATOM 1949 N ILE B 461 -10.683 -2.352 -7.962 1.00 0.00 N ATOM 1950 CA ILE B 461 -10.905 -1.139 -7.184 1.00 0.00 C ATOM 1951 C ILE B 461 -9.594 -0.402 -6.918 1.00 0.00 C ATOM 1952 O ILE B 461 -9.584 0.815 -6.730 1.00 0.00 O ATOM 1953 CB ILE B 461 -11.591 -1.455 -5.839 1.00 0.00 C ATOM 1954 CG1 ILE B 461 -11.863 -0.165 -5.060 1.00 0.00 C ATOM 1955 CG2 ILE B 461 -10.735 -2.409 -5.019 1.00 0.00 C ATOM 1956 CD1 ILE B 461 -12.523 -0.394 -3.717 1.00 0.00 C ATOM 0 H ILE B 461 -10.997 -3.209 -7.506 1.00 0.00 H new ATOM 0 HA ILE B 461 -11.559 -0.499 -7.776 1.00 0.00 H new ATOM 0 HB ILE B 461 -12.546 -1.939 -6.041 1.00 0.00 H new ATOM 0 HG12 ILE B 461 -10.921 0.362 -4.907 1.00 0.00 H new ATOM 0 HG13 ILE B 461 -12.498 0.485 -5.661 1.00 0.00 H new ATOM 0 HG21 ILE B 461 -11.232 -2.622 -4.073 1.00 0.00 H new ATOM 0 HG22 ILE B 461 -10.593 -3.338 -5.572 1.00 0.00 H new ATOM 0 HG23 ILE B 461 -9.765 -1.951 -4.824 1.00 0.00 H new ATOM 0 HD11 ILE B 461 -12.685 0.564 -3.223 1.00 0.00 H new ATOM 0 HD12 ILE B 461 -13.481 -0.893 -3.863 1.00 0.00 H new ATOM 0 HD13 ILE B 461 -11.879 -1.018 -3.097 1.00 0.00 H new ATOM 1968 N PHE B 462 -8.492 -1.144 -6.899 1.00 0.00 N ATOM 1969 CA PHE B 462 -7.180 -0.557 -6.651 1.00 0.00 C ATOM 1970 C PHE B 462 -6.372 -0.448 -7.940 1.00 0.00 C ATOM 1971 O PHE B 462 -5.538 0.446 -8.086 1.00 0.00 O ATOM 1972 CB PHE B 462 -6.415 -1.390 -5.622 1.00 0.00 C ATOM 1973 CG PHE B 462 -7.080 -1.430 -4.276 1.00 0.00 C ATOM 1974 CD1 PHE B 462 -7.338 -0.259 -3.582 1.00 0.00 C ATOM 1975 CD2 PHE B 462 -7.449 -2.638 -3.706 1.00 0.00 C ATOM 1976 CE1 PHE B 462 -7.952 -0.292 -2.345 1.00 0.00 C ATOM 1977 CE2 PHE B 462 -8.063 -2.677 -2.469 1.00 0.00 C ATOM 1978 CZ PHE B 462 -8.316 -1.502 -1.788 1.00 0.00 C ATOM 0 H PHE B 462 -8.481 -2.152 -7.052 1.00 0.00 H new ATOM 0 HA PHE B 462 -7.330 0.449 -6.258 1.00 0.00 H new ATOM 0 HB2 PHE B 462 -6.307 -2.408 -5.997 1.00 0.00 H new ATOM 0 HB3 PHE B 462 -5.410 -0.983 -5.511 1.00 0.00 H new ATOM 0 HD1 PHE B 462 -7.056 0.690 -4.013 1.00 0.00 H new ATOM 0 HD2 PHE B 462 -7.254 -3.559 -4.235 1.00 0.00 H new ATOM 0 HE1 PHE B 462 -8.147 0.628 -1.814 1.00 0.00 H new ATOM 0 HE2 PHE B 462 -8.345 -3.625 -2.035 1.00 0.00 H new ATOM 0 HZ PHE B 462 -8.798 -1.530 -0.822 1.00 0.00 H new ATOM 1988 N GLU B 463 -6.623 -1.361 -8.873 1.00 0.00 N ATOM 1989 CA GLU B 463 -5.916 -1.362 -10.148 1.00 0.00 C ATOM 1990 C GLU B 463 -6.188 -0.077 -10.923 1.00 0.00 C ATOM 1991 O GLU B 463 -5.279 0.509 -11.512 1.00 0.00 O ATOM 1992 CB GLU B 463 -6.333 -2.573 -10.986 1.00 0.00 C ATOM 1993 CG GLU B 463 -5.488 -3.810 -10.729 1.00 0.00 C ATOM 1994 CD GLU B 463 -4.188 -3.800 -11.509 1.00 0.00 C ATOM 1995 OE1 GLU B 463 -3.748 -2.704 -11.916 1.00 0.00 O ATOM 1996 OE2 GLU B 463 -3.609 -4.888 -11.712 1.00 0.00 O ATOM 0 H GLU B 463 -7.310 -2.108 -8.770 1.00 0.00 H new ATOM 0 HA GLU B 463 -4.847 -1.421 -9.941 1.00 0.00 H new ATOM 0 HB2 GLU B 463 -7.377 -2.807 -10.778 1.00 0.00 H new ATOM 0 HB3 GLU B 463 -6.269 -2.313 -12.043 1.00 0.00 H new ATOM 0 HG2 GLU B 463 -5.268 -3.880 -9.664 1.00 0.00 H new ATOM 0 HG3 GLU B 463 -6.061 -4.698 -10.995 1.00 0.00 H new ATOM 2003 N THR B 464 -7.444 0.357 -10.917 1.00 0.00 N ATOM 2004 CA THR B 464 -7.836 1.574 -11.619 1.00 0.00 C ATOM 2005 C THR B 464 -7.079 2.783 -11.078 1.00 0.00 C ATOM 2006 O THR B 464 -6.313 2.671 -10.121 1.00 0.00 O ATOM 2007 CB THR B 464 -9.342 1.800 -11.488 1.00 0.00 C ATOM 2008 OG1 THR B 464 -9.819 1.295 -10.253 1.00 0.00 O ATOM 2009 CG2 THR B 464 -10.145 1.147 -12.592 1.00 0.00 C ATOM 0 H THR B 464 -8.208 -0.116 -10.434 1.00 0.00 H new ATOM 0 HA THR B 464 -7.584 1.453 -12.673 1.00 0.00 H new ATOM 0 HB THR B 464 -9.478 2.880 -11.553 1.00 0.00 H new ATOM 0 HG1 THR B 464 -10.070 0.354 -10.360 1.00 0.00 H new ATOM 0 HG21 THR B 464 -11.205 1.347 -12.438 1.00 0.00 H new ATOM 0 HG22 THR B 464 -9.836 1.552 -13.555 1.00 0.00 H new ATOM 0 HG23 THR B 464 -9.973 0.071 -12.579 1.00 0.00 H new ATOM 2017 N THR B 465 -7.298 3.938 -11.698 1.00 0.00 N ATOM 2018 CA THR B 465 -6.637 5.168 -11.279 1.00 0.00 C ATOM 2019 C THR B 465 -7.643 6.306 -11.142 1.00 0.00 C ATOM 2020 O THR B 465 -7.734 6.944 -10.093 1.00 0.00 O ATOM 2021 CB THR B 465 -5.548 5.553 -12.281 1.00 0.00 C ATOM 2022 OG1 THR B 465 -5.916 5.170 -13.594 1.00 0.00 O ATOM 2023 CG2 THR B 465 -4.206 4.921 -11.978 1.00 0.00 C ATOM 0 H THR B 465 -7.928 4.048 -12.492 1.00 0.00 H new ATOM 0 HA THR B 465 -6.179 4.992 -10.305 1.00 0.00 H new ATOM 0 HB THR B 465 -5.449 6.635 -12.199 1.00 0.00 H new ATOM 0 HG1 THR B 465 -5.207 5.426 -14.220 1.00 0.00 H new ATOM 0 HG21 THR B 465 -3.479 5.235 -12.727 1.00 0.00 H new ATOM 0 HG22 THR B 465 -3.870 5.237 -10.990 1.00 0.00 H new ATOM 0 HG23 THR B 465 -4.302 3.835 -11.999 1.00 0.00 H new TER 2031 THR B 465