USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 684 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -4.45! C(o=-4.4!,f=-11!) USER MOD Single : A 17 GLN : amide:sc= -0.184 K(o=-0.18,f=-1.8!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.545 USER MOD Single : A 30 SER OG : rot 58:sc= 0.312 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -113:sc= -2.33 (180deg=-4.14!) USER MOD Single : A 43 GLN : amide:sc= -2.68! C(o=-2.7!,f=-2.2!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.273 K(o=-0.27,f=-1.8!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -8.77! C(o=-8.8!,f=-24!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 151:sc= -0.0565 (180deg=-0.549) USER MOD Single : A 64 ASN : amide:sc= 0.0368 X(o=0.037,f=0) USER MOD Single : A 69 MET CE :methyl 151:sc= -2.3! (180deg=-5!) USER MOD Single : A 72 GLN : amide:sc= 0.267 X(o=0.27,f=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 150:sc= 0.0105 USER MOD Single : A 80 SER OG : rot -150:sc= -0.0421 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= -0.0886 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.711 -4.439 -7.136 1.00 0.00 N ATOM 2 CA GLY A 1 -11.315 -4.774 -6.916 1.00 0.00 C ATOM 3 C GLY A 1 -11.117 -6.290 -6.856 1.00 0.00 C ATOM 4 O GLY A 1 -10.954 -6.857 -5.776 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.818 -3.405 -7.173 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.030 -4.852 -8.036 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.286 -4.819 -6.357 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.706 -4.356 -7.718 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.971 -4.322 -5.986 1.00 0.00 H new ATOM 8 N SER A 2 -11.139 -6.905 -8.030 1.00 0.00 N ATOM 9 CA SER A 2 -10.965 -8.344 -8.124 1.00 0.00 C ATOM 10 C SER A 2 -10.956 -8.775 -9.592 1.00 0.00 C ATOM 11 O SER A 2 -11.715 -8.245 -10.403 1.00 0.00 O ATOM 12 CB SER A 2 -12.065 -9.084 -7.361 1.00 0.00 C ATOM 13 OG SER A 2 -11.889 -10.497 -7.406 1.00 0.00 O ATOM 0 H SER A 2 -11.275 -6.432 -8.924 1.00 0.00 H new ATOM 0 HA SER A 2 -10.009 -8.603 -7.669 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.072 -8.753 -6.323 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.036 -8.826 -7.784 1.00 0.00 H new ATOM 0 HG SER A 2 -12.611 -10.933 -6.906 1.00 0.00 H new ATOM 19 N SER A 3 -10.089 -9.732 -9.890 1.00 0.00 N ATOM 20 CA SER A 3 -9.972 -10.240 -11.246 1.00 0.00 C ATOM 21 C SER A 3 -8.901 -11.331 -11.306 1.00 0.00 C ATOM 22 O SER A 3 -7.900 -11.262 -10.595 1.00 0.00 O ATOM 23 CB SER A 3 -9.639 -9.115 -12.229 1.00 0.00 C ATOM 24 OG SER A 3 -10.339 -9.258 -13.461 1.00 0.00 O ATOM 0 H SER A 3 -9.461 -10.169 -9.215 1.00 0.00 H new ATOM 0 HA SER A 3 -10.933 -10.666 -11.535 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.890 -8.154 -11.779 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.566 -9.107 -12.421 1.00 0.00 H new ATOM 0 HG SER A 3 -10.101 -8.520 -14.060 1.00 0.00 H new ATOM 30 N GLY A 4 -9.149 -12.313 -12.160 1.00 0.00 N ATOM 31 CA GLY A 4 -8.219 -13.417 -12.321 1.00 0.00 C ATOM 32 C GLY A 4 -7.007 -12.996 -13.154 1.00 0.00 C ATOM 33 O GLY A 4 -6.955 -13.253 -14.356 1.00 0.00 O ATOM 0 H GLY A 4 -9.981 -12.367 -12.748 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.889 -13.765 -11.342 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.723 -14.254 -12.803 1.00 0.00 H new ATOM 37 N SER A 5 -6.062 -12.355 -12.483 1.00 0.00 N ATOM 38 CA SER A 5 -4.853 -11.895 -13.146 1.00 0.00 C ATOM 39 C SER A 5 -3.737 -11.693 -12.119 1.00 0.00 C ATOM 40 O SER A 5 -3.993 -11.667 -10.916 1.00 0.00 O ATOM 41 CB SER A 5 -5.107 -10.597 -13.916 1.00 0.00 C ATOM 42 OG SER A 5 -5.474 -9.526 -13.051 1.00 0.00 O ATOM 0 H SER A 5 -6.109 -12.143 -11.486 1.00 0.00 H new ATOM 0 HA SER A 5 -4.545 -12.657 -13.862 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.210 -10.323 -14.471 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.898 -10.759 -14.648 1.00 0.00 H new ATOM 0 HG SER A 5 -5.626 -8.715 -13.580 1.00 0.00 H new ATOM 48 N SER A 6 -2.523 -11.556 -12.631 1.00 0.00 N ATOM 49 CA SER A 6 -1.367 -11.357 -11.774 1.00 0.00 C ATOM 50 C SER A 6 -1.006 -9.871 -11.719 1.00 0.00 C ATOM 51 O SER A 6 -0.609 -9.287 -12.726 1.00 0.00 O ATOM 52 CB SER A 6 -0.171 -12.176 -12.263 1.00 0.00 C ATOM 53 OG SER A 6 0.490 -12.847 -11.193 1.00 0.00 O ATOM 0 H SER A 6 -2.315 -11.579 -13.629 1.00 0.00 H new ATOM 0 HA SER A 6 -1.622 -11.700 -10.771 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.509 -12.908 -12.997 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.535 -11.519 -12.770 1.00 0.00 H new ATOM 0 HG SER A 6 1.247 -13.360 -11.546 1.00 0.00 H new ATOM 59 N GLY A 7 -1.156 -9.302 -10.532 1.00 0.00 N ATOM 60 CA GLY A 7 -0.851 -7.896 -10.332 1.00 0.00 C ATOM 61 C GLY A 7 -0.165 -7.670 -8.983 1.00 0.00 C ATOM 62 O GLY A 7 0.149 -8.625 -8.274 1.00 0.00 O ATOM 0 H GLY A 7 -1.485 -9.790 -9.699 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.206 -7.542 -11.136 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.769 -7.311 -10.380 1.00 0.00 H new ATOM 66 N PRO A 8 0.054 -6.367 -8.661 1.00 0.00 N ATOM 67 CA PRO A 8 0.697 -6.003 -7.410 1.00 0.00 C ATOM 68 C PRO A 8 -0.263 -6.169 -6.231 1.00 0.00 C ATOM 69 O PRO A 8 0.165 -6.436 -5.109 1.00 0.00 O ATOM 70 CB PRO A 8 1.155 -4.567 -7.605 1.00 0.00 C ATOM 71 CG PRO A 8 0.347 -4.028 -8.775 1.00 0.00 C ATOM 72 CD PRO A 8 -0.303 -5.209 -9.476 1.00 0.00 C ATOM 0 HA PRO A 8 1.543 -6.647 -7.170 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.982 -3.976 -6.706 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.224 -4.523 -7.815 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.411 -3.328 -8.425 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.991 -3.482 -9.464 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.384 -5.087 -9.538 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.065 -5.315 -10.497 1.00 0.00 H new ATOM 80 N ILE A 9 -1.545 -6.004 -6.525 1.00 0.00 N ATOM 81 CA ILE A 9 -2.570 -6.133 -5.503 1.00 0.00 C ATOM 82 C ILE A 9 -2.636 -7.587 -5.034 1.00 0.00 C ATOM 83 O ILE A 9 -2.194 -7.909 -3.932 1.00 0.00 O ATOM 84 CB ILE A 9 -3.906 -5.589 -6.014 1.00 0.00 C ATOM 85 CG1 ILE A 9 -3.737 -4.191 -6.611 1.00 0.00 C ATOM 86 CG2 ILE A 9 -4.966 -5.618 -4.911 1.00 0.00 C ATOM 87 CD1 ILE A 9 -5.071 -3.653 -7.133 1.00 0.00 C ATOM 0 H ILE A 9 -1.897 -5.782 -7.456 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.318 -5.529 -4.631 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.257 -6.240 -6.815 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.339 -3.514 -5.855 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.011 -4.224 -7.423 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.906 -5.226 -5.299 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.112 -6.644 -4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.636 -5.004 -4.073 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.923 -2.658 -7.552 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -5.454 -4.319 -7.906 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.787 -3.598 -6.313 1.00 0.00 H new ATOM 99 N SER A 10 -3.193 -8.428 -5.893 1.00 0.00 N ATOM 100 CA SER A 10 -3.324 -9.841 -5.580 1.00 0.00 C ATOM 101 C SER A 10 -2.018 -10.367 -4.980 1.00 0.00 C ATOM 102 O SER A 10 -2.027 -11.007 -3.930 1.00 0.00 O ATOM 103 CB SER A 10 -3.699 -10.649 -6.825 1.00 0.00 C ATOM 104 OG SER A 10 -5.014 -11.190 -6.733 1.00 0.00 O ATOM 0 H SER A 10 -3.559 -8.158 -6.806 1.00 0.00 H new ATOM 0 HA SER A 10 -4.125 -9.957 -4.850 1.00 0.00 H new ATOM 0 HB2 SER A 10 -3.630 -10.011 -7.706 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.982 -11.459 -6.961 1.00 0.00 H new ATOM 0 HG SER A 10 -5.217 -11.697 -7.547 1.00 0.00 H new ATOM 110 N ARG A 11 -0.927 -10.077 -5.674 1.00 0.00 N ATOM 111 CA ARG A 11 0.384 -10.513 -5.222 1.00 0.00 C ATOM 112 C ARG A 11 0.604 -10.110 -3.763 1.00 0.00 C ATOM 113 O ARG A 11 0.802 -10.966 -2.902 1.00 0.00 O ATOM 114 CB ARG A 11 1.493 -9.906 -6.084 1.00 0.00 C ATOM 115 CG ARG A 11 2.859 -10.480 -5.704 1.00 0.00 C ATOM 116 CD ARG A 11 3.917 -9.376 -5.630 1.00 0.00 C ATOM 117 NE ARG A 11 5.136 -9.795 -6.356 1.00 0.00 N ATOM 118 CZ ARG A 11 5.855 -10.884 -6.053 1.00 0.00 C ATOM 119 NH1 ARG A 11 5.480 -11.672 -5.036 1.00 0.00 N ATOM 120 NH2 ARG A 11 6.948 -11.186 -6.767 1.00 0.00 N ATOM 0 H ARG A 11 -0.924 -9.546 -6.545 1.00 0.00 H new ATOM 0 HA ARG A 11 0.422 -11.599 -5.312 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.291 -10.105 -7.136 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.503 -8.823 -5.961 1.00 0.00 H new ATOM 0 HG2 ARG A 11 2.789 -10.987 -4.742 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.160 -11.228 -6.437 1.00 0.00 H new ATOM 0 HD2 ARG A 11 3.525 -8.455 -6.062 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.159 -9.162 -4.589 1.00 0.00 H new ATOM 0 HE ARG A 11 5.449 -9.218 -7.137 1.00 0.00 H new ATOM 0 HH11 ARG A 11 4.648 -11.442 -4.493 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.027 -12.501 -4.805 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.233 -10.587 -7.542 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.495 -12.015 -6.536 1.00 0.00 H new ATOM 134 N LEU A 12 0.562 -8.806 -3.529 1.00 0.00 N ATOM 135 CA LEU A 12 0.754 -8.280 -2.188 1.00 0.00 C ATOM 136 C LEU A 12 -0.211 -8.978 -1.228 1.00 0.00 C ATOM 137 O LEU A 12 0.183 -9.393 -0.139 1.00 0.00 O ATOM 138 CB LEU A 12 0.625 -6.755 -2.188 1.00 0.00 C ATOM 139 CG LEU A 12 1.315 -6.024 -1.034 1.00 0.00 C ATOM 140 CD1 LEU A 12 0.605 -4.706 -0.718 1.00 0.00 C ATOM 141 CD2 LEU A 12 1.426 -6.925 0.197 1.00 0.00 C ATOM 0 H LEU A 12 0.398 -8.099 -4.245 1.00 0.00 H new ATOM 0 HA LEU A 12 1.764 -8.492 -1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.030 -6.376 -3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.435 -6.500 -2.172 1.00 0.00 H new ATOM 0 HG LEU A 12 2.330 -5.777 -1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.115 -4.206 0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.622 -4.064 -1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.428 -4.908 -0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.920 -6.381 1.002 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.429 -7.225 0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.008 -7.812 -0.053 1.00 0.00 H new ATOM 153 N ALA A 13 -1.457 -9.087 -1.666 1.00 0.00 N ATOM 154 CA ALA A 13 -2.481 -9.728 -0.858 1.00 0.00 C ATOM 155 C ALA A 13 -2.073 -11.176 -0.580 1.00 0.00 C ATOM 156 O ALA A 13 -2.185 -11.650 0.549 1.00 0.00 O ATOM 157 CB ALA A 13 -3.830 -9.629 -1.573 1.00 0.00 C ATOM 0 H ALA A 13 -1.781 -8.742 -2.570 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.583 -9.225 0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.599 -10.110 -0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.087 -8.580 -1.721 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.766 -10.127 -2.541 1.00 0.00 H new ATOM 163 N GLN A 14 -1.607 -11.838 -1.629 1.00 0.00 N ATOM 164 CA GLN A 14 -1.182 -13.222 -1.512 1.00 0.00 C ATOM 165 C GLN A 14 -0.045 -13.344 -0.495 1.00 0.00 C ATOM 166 O GLN A 14 0.083 -14.365 0.179 1.00 0.00 O ATOM 167 CB GLN A 14 -0.762 -13.784 -2.872 1.00 0.00 C ATOM 168 CG GLN A 14 -1.981 -14.243 -3.675 1.00 0.00 C ATOM 169 CD GLN A 14 -1.644 -15.463 -4.535 1.00 0.00 C ATOM 170 OE1 GLN A 14 -1.540 -16.581 -4.057 1.00 0.00 O ATOM 171 NE2 GLN A 14 -1.479 -15.187 -5.825 1.00 0.00 N ATOM 0 H GLN A 14 -1.515 -11.441 -2.564 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.027 -13.812 -1.157 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.219 -13.023 -3.432 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.080 -14.622 -2.728 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.798 -14.487 -2.995 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.329 -13.430 -4.312 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.581 -14.228 -6.159 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.251 -15.934 -6.481 1.00 0.00 H new ATOM 180 N ILE A 15 0.751 -12.288 -0.416 1.00 0.00 N ATOM 181 CA ILE A 15 1.872 -12.264 0.508 1.00 0.00 C ATOM 182 C ILE A 15 1.347 -12.107 1.937 1.00 0.00 C ATOM 183 O ILE A 15 1.870 -12.722 2.865 1.00 0.00 O ATOM 184 CB ILE A 15 2.879 -11.186 0.101 1.00 0.00 C ATOM 185 CG1 ILE A 15 3.535 -11.526 -1.238 1.00 0.00 C ATOM 186 CG2 ILE A 15 3.913 -10.957 1.205 1.00 0.00 C ATOM 187 CD1 ILE A 15 4.117 -10.274 -1.898 1.00 0.00 C ATOM 0 H ILE A 15 0.642 -11.443 -0.977 1.00 0.00 H new ATOM 0 HA ILE A 15 2.417 -13.207 0.470 1.00 0.00 H new ATOM 0 HB ILE A 15 2.340 -10.248 -0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.325 -12.261 -1.084 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.800 -11.983 -1.901 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.617 -10.186 0.890 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.408 -10.637 2.116 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.453 -11.885 1.396 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.577 -10.544 -2.848 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.320 -9.551 -2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.869 -9.833 -1.243 1.00 0.00 H new ATOM 199 N GLN A 16 0.320 -11.281 2.068 1.00 0.00 N ATOM 200 CA GLN A 16 -0.282 -11.036 3.368 1.00 0.00 C ATOM 201 C GLN A 16 -0.830 -12.339 3.953 1.00 0.00 C ATOM 202 O GLN A 16 -0.895 -12.498 5.171 1.00 0.00 O ATOM 203 CB GLN A 16 -1.378 -9.973 3.273 1.00 0.00 C ATOM 204 CG GLN A 16 -0.804 -8.633 2.808 1.00 0.00 C ATOM 205 CD GLN A 16 0.544 -8.353 3.474 1.00 0.00 C ATOM 206 OE1 GLN A 16 1.515 -7.979 2.837 1.00 0.00 O ATOM 207 NE2 GLN A 16 0.549 -8.554 4.789 1.00 0.00 N ATOM 0 H GLN A 16 -0.111 -10.773 1.296 1.00 0.00 H new ATOM 0 HA GLN A 16 0.489 -10.656 4.038 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -2.150 -10.303 2.578 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -1.856 -9.850 4.245 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -0.684 -8.641 1.725 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -1.504 -7.832 3.045 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.300 -8.868 5.260 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.401 -8.394 5.326 1.00 0.00 H new ATOM 216 N GLN A 17 -1.212 -13.238 3.058 1.00 0.00 N ATOM 217 CA GLN A 17 -1.752 -14.522 3.470 1.00 0.00 C ATOM 218 C GLN A 17 -0.626 -15.545 3.632 1.00 0.00 C ATOM 219 O GLN A 17 -0.581 -16.273 4.623 1.00 0.00 O ATOM 220 CB GLN A 17 -2.806 -15.018 2.478 1.00 0.00 C ATOM 221 CG GLN A 17 -3.300 -13.876 1.587 1.00 0.00 C ATOM 222 CD GLN A 17 -4.765 -14.081 1.195 1.00 0.00 C ATOM 223 OE1 GLN A 17 -5.541 -14.703 1.901 1.00 0.00 O ATOM 224 NE2 GLN A 17 -5.097 -13.524 0.034 1.00 0.00 N ATOM 0 H GLN A 17 -1.158 -13.102 2.049 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.242 -14.395 4.436 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.384 -15.810 1.860 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.647 -15.450 3.021 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.190 -12.927 2.111 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.684 -13.818 0.689 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.397 -13.017 -0.507 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.052 -13.604 -0.315 1.00 0.00 H new ATOM 233 N ALA A 18 0.255 -15.569 2.643 1.00 0.00 N ATOM 234 CA ALA A 18 1.378 -16.491 2.663 1.00 0.00 C ATOM 235 C ALA A 18 2.190 -16.272 3.941 1.00 0.00 C ATOM 236 O ALA A 18 2.816 -17.200 4.449 1.00 0.00 O ATOM 237 CB ALA A 18 2.218 -16.299 1.398 1.00 0.00 C ATOM 0 H ALA A 18 0.214 -14.965 1.822 1.00 0.00 H new ATOM 0 HA ALA A 18 1.027 -17.523 2.669 1.00 0.00 H new ATOM 0 HB1 ALA A 18 3.061 -16.990 1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.603 -16.495 0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.589 -15.275 1.360 1.00 0.00 H new ATOM 243 N ARG A 19 2.152 -15.038 4.424 1.00 0.00 N ATOM 244 CA ARG A 19 2.876 -14.686 5.633 1.00 0.00 C ATOM 245 C ARG A 19 2.041 -15.024 6.870 1.00 0.00 C ATOM 246 O ARG A 19 2.577 -15.151 7.969 1.00 0.00 O ATOM 247 CB ARG A 19 3.223 -13.196 5.652 1.00 0.00 C ATOM 248 CG ARG A 19 4.445 -12.906 4.778 1.00 0.00 C ATOM 249 CD ARG A 19 4.780 -11.413 4.782 1.00 0.00 C ATOM 250 NE ARG A 19 6.229 -11.221 5.015 1.00 0.00 N ATOM 251 CZ ARG A 19 6.798 -11.197 6.228 1.00 0.00 C ATOM 252 NH1 ARG A 19 6.045 -11.354 7.325 1.00 0.00 N ATOM 253 NH2 ARG A 19 8.121 -11.017 6.344 1.00 0.00 N ATOM 0 H ARG A 19 1.631 -14.270 4.000 1.00 0.00 H new ATOM 0 HA ARG A 19 3.800 -15.264 5.646 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.371 -12.616 5.296 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.420 -12.878 6.676 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.300 -13.475 5.142 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.253 -13.237 3.757 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.494 -10.965 3.831 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.208 -10.905 5.559 1.00 0.00 H new ATOM 0 HE ARG A 19 6.832 -11.099 4.201 1.00 0.00 H new ATOM 0 HH11 ARG A 19 5.038 -11.492 7.237 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.479 -11.336 8.248 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.695 -10.898 5.509 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.554 -10.999 7.267 1.00 0.00 H new ATOM 267 N LYS A 20 0.742 -15.159 6.648 1.00 0.00 N ATOM 268 CA LYS A 20 -0.173 -15.480 7.730 1.00 0.00 C ATOM 269 C LYS A 20 -0.249 -14.296 8.696 1.00 0.00 C ATOM 270 O LYS A 20 -0.445 -14.481 9.896 1.00 0.00 O ATOM 271 CB LYS A 20 0.231 -16.795 8.401 1.00 0.00 C ATOM 272 CG LYS A 20 -0.031 -17.985 7.475 1.00 0.00 C ATOM 273 CD LYS A 20 -0.469 -19.215 8.273 1.00 0.00 C ATOM 274 CE LYS A 20 -0.320 -20.490 7.441 1.00 0.00 C ATOM 275 NZ LYS A 20 -1.566 -21.287 7.486 1.00 0.00 N ATOM 0 H LYS A 20 0.301 -15.052 5.734 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.179 -15.642 7.343 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.287 -16.762 8.667 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.328 -16.921 9.328 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.802 -17.724 6.750 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.872 -18.216 6.910 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.130 -19.296 9.180 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.507 -19.100 8.585 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.083 -20.232 6.409 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.512 -21.083 7.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.448 -22.149 6.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.775 -21.549 8.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.352 -20.724 7.103 1.00 0.00 H new ATOM 289 N GLU A 21 -0.089 -13.106 8.136 1.00 0.00 N ATOM 290 CA GLU A 21 -0.137 -11.892 8.933 1.00 0.00 C ATOM 291 C GLU A 21 -1.536 -11.275 8.876 1.00 0.00 C ATOM 292 O GLU A 21 -2.302 -11.377 9.833 1.00 0.00 O ATOM 293 CB GLU A 21 0.923 -10.890 8.470 1.00 0.00 C ATOM 294 CG GLU A 21 2.331 -11.461 8.644 1.00 0.00 C ATOM 295 CD GLU A 21 2.772 -11.395 10.108 1.00 0.00 C ATOM 296 OE1 GLU A 21 2.155 -12.118 10.920 1.00 0.00 O ATOM 297 OE2 GLU A 21 3.716 -10.623 10.381 1.00 0.00 O ATOM 0 H GLU A 21 0.074 -12.957 7.140 1.00 0.00 H new ATOM 0 HA GLU A 21 0.083 -12.151 9.969 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.756 -10.637 7.423 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.829 -9.966 9.040 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.353 -12.495 8.300 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.033 -10.904 8.024 1.00 0.00 H new ATOM 304 N LYS A 22 -1.827 -10.648 7.746 1.00 0.00 N ATOM 305 CA LYS A 22 -3.120 -10.015 7.552 1.00 0.00 C ATOM 306 C LYS A 22 -3.108 -9.230 6.239 1.00 0.00 C ATOM 307 O LYS A 22 -2.150 -8.515 5.948 1.00 0.00 O ATOM 308 CB LYS A 22 -3.490 -9.168 8.772 1.00 0.00 C ATOM 309 CG LYS A 22 -4.860 -9.568 9.322 1.00 0.00 C ATOM 310 CD LYS A 22 -4.727 -10.665 10.381 1.00 0.00 C ATOM 311 CE LYS A 22 -6.011 -10.793 11.202 1.00 0.00 C ATOM 312 NZ LYS A 22 -6.756 -12.011 10.811 1.00 0.00 N ATOM 0 H LYS A 22 -1.189 -10.565 6.955 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.903 -10.768 7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.733 -9.290 9.547 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.498 -8.113 8.498 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.350 -8.696 9.756 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -5.494 -9.918 8.508 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -4.504 -11.616 9.898 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.890 -10.438 11.041 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.768 -10.833 12.264 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.636 -9.913 11.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.625 -12.083 11.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.004 -11.958 9.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.163 -12.849 10.978 1.00 0.00 H new ATOM 326 N GLU A 23 -4.182 -9.390 5.481 1.00 0.00 N ATOM 327 CA GLU A 23 -4.307 -8.705 4.205 1.00 0.00 C ATOM 328 C GLU A 23 -3.859 -7.248 4.339 1.00 0.00 C ATOM 329 O GLU A 23 -3.809 -6.709 5.444 1.00 0.00 O ATOM 330 CB GLU A 23 -5.739 -8.792 3.674 1.00 0.00 C ATOM 331 CG GLU A 23 -5.900 -9.980 2.723 1.00 0.00 C ATOM 332 CD GLU A 23 -6.751 -9.600 1.510 1.00 0.00 C ATOM 333 OE1 GLU A 23 -6.263 -8.771 0.712 1.00 0.00 O ATOM 334 OE2 GLU A 23 -7.871 -10.147 1.408 1.00 0.00 O ATOM 0 H GLU A 23 -4.974 -9.984 5.725 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.657 -9.200 3.484 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.434 -8.892 4.507 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.995 -7.868 3.155 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.919 -10.320 2.391 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.365 -10.813 3.251 1.00 0.00 H new ATOM 341 N PRO A 24 -3.536 -6.637 3.168 1.00 0.00 N ATOM 342 CA PRO A 24 -3.094 -5.253 3.144 1.00 0.00 C ATOM 343 C PRO A 24 -4.270 -4.298 3.359 1.00 0.00 C ATOM 344 O PRO A 24 -5.391 -4.584 2.942 1.00 0.00 O ATOM 345 CB PRO A 24 -2.425 -5.077 1.790 1.00 0.00 C ATOM 346 CG PRO A 24 -2.925 -6.224 0.927 1.00 0.00 C ATOM 347 CD PRO A 24 -3.583 -7.244 1.841 1.00 0.00 C ATOM 0 HA PRO A 24 -2.399 -5.019 3.950 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -2.683 -4.114 1.349 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -1.339 -5.103 1.884 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.637 -5.861 0.185 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -2.099 -6.679 0.380 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.609 -7.447 1.534 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -3.051 -8.195 1.821 1.00 0.00 H new ATOM 355 N ASP A 25 -3.973 -3.182 4.009 1.00 0.00 N ATOM 356 CA ASP A 25 -4.992 -2.183 4.284 1.00 0.00 C ATOM 357 C ASP A 25 -4.753 -0.960 3.396 1.00 0.00 C ATOM 358 O ASP A 25 -3.843 -0.172 3.651 1.00 0.00 O ATOM 359 CB ASP A 25 -4.936 -1.726 5.743 1.00 0.00 C ATOM 360 CG ASP A 25 -6.193 -2.027 6.563 1.00 0.00 C ATOM 361 OD1 ASP A 25 -7.294 -1.825 6.008 1.00 0.00 O ATOM 362 OD2 ASP A 25 -6.023 -2.452 7.726 1.00 0.00 O ATOM 0 H ASP A 25 -3.042 -2.948 4.353 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.966 -2.630 4.084 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.083 -2.203 6.225 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.755 -0.651 5.765 1.00 0.00 H new ATOM 367 N TYR A 26 -5.586 -0.839 2.373 1.00 0.00 N ATOM 368 CA TYR A 26 -5.477 0.276 1.447 1.00 0.00 C ATOM 369 C TYR A 26 -6.285 1.478 1.938 1.00 0.00 C ATOM 370 O TYR A 26 -7.433 1.331 2.354 1.00 0.00 O ATOM 371 CB TYR A 26 -6.069 -0.216 0.124 1.00 0.00 C ATOM 372 CG TYR A 26 -5.200 -1.244 -0.603 1.00 0.00 C ATOM 373 CD1 TYR A 26 -4.193 -0.822 -1.448 1.00 0.00 C ATOM 374 CD2 TYR A 26 -5.422 -2.593 -0.414 1.00 0.00 C ATOM 375 CE1 TYR A 26 -3.375 -1.790 -2.132 1.00 0.00 C ATOM 376 CE2 TYR A 26 -4.604 -3.560 -1.098 1.00 0.00 C ATOM 377 CZ TYR A 26 -3.621 -3.111 -1.923 1.00 0.00 C ATOM 378 OH TYR A 26 -2.848 -4.025 -2.570 1.00 0.00 O ATOM 0 H TYR A 26 -6.339 -1.494 2.165 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.439 0.593 1.349 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.048 -0.655 0.317 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.227 0.640 -0.532 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.019 0.234 -1.596 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -6.210 -2.923 0.247 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.584 -1.474 -2.796 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.767 -4.618 -0.959 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.136 -4.929 -2.325 1.00 0.00 H new ATOM 388 N ILE A 27 -5.654 2.641 1.873 1.00 0.00 N ATOM 389 CA ILE A 27 -6.300 3.869 2.306 1.00 0.00 C ATOM 390 C ILE A 27 -6.104 4.947 1.238 1.00 0.00 C ATOM 391 O ILE A 27 -4.978 5.214 0.820 1.00 0.00 O ATOM 392 CB ILE A 27 -5.798 4.278 3.692 1.00 0.00 C ATOM 393 CG1 ILE A 27 -5.629 3.055 4.597 1.00 0.00 C ATOM 394 CG2 ILE A 27 -6.715 5.331 4.318 1.00 0.00 C ATOM 395 CD1 ILE A 27 -4.160 2.640 4.688 1.00 0.00 C ATOM 0 H ILE A 27 -4.702 2.759 1.527 1.00 0.00 H new ATOM 0 HA ILE A 27 -7.374 3.717 2.413 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.814 4.733 3.578 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -6.010 3.280 5.593 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -6.221 2.226 4.209 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.336 5.604 5.303 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.742 6.215 3.681 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.722 4.924 4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.067 1.769 5.337 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.790 2.392 3.693 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -3.574 3.462 5.099 1.00 0.00 H new ATOM 407 N LEU A 28 -7.217 5.537 0.828 1.00 0.00 N ATOM 408 CA LEU A 28 -7.181 6.580 -0.183 1.00 0.00 C ATOM 409 C LEU A 28 -6.701 7.886 0.454 1.00 0.00 C ATOM 410 O LEU A 28 -7.384 8.453 1.305 1.00 0.00 O ATOM 411 CB LEU A 28 -8.539 6.699 -0.879 1.00 0.00 C ATOM 412 CG LEU A 28 -8.548 7.458 -2.207 1.00 0.00 C ATOM 413 CD1 LEU A 28 -8.178 8.927 -2.001 1.00 0.00 C ATOM 414 CD2 LEU A 28 -7.642 6.776 -3.234 1.00 0.00 C ATOM 0 H LEU A 28 -8.149 5.313 1.177 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.468 6.326 -0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.924 5.695 -1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.232 7.191 -0.197 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.562 7.435 -2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.192 9.444 -2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.898 9.393 -1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.180 8.994 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.666 7.336 -4.169 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.620 6.747 -2.855 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.993 5.759 -3.410 1.00 0.00 H new ATOM 426 N LEU A 29 -5.530 8.324 0.016 1.00 0.00 N ATOM 427 CA LEU A 29 -4.950 9.552 0.533 1.00 0.00 C ATOM 428 C LEU A 29 -5.774 10.745 0.044 1.00 0.00 C ATOM 429 O LEU A 29 -6.314 11.503 0.848 1.00 0.00 O ATOM 430 CB LEU A 29 -3.466 9.639 0.170 1.00 0.00 C ATOM 431 CG LEU A 29 -2.536 8.682 0.918 1.00 0.00 C ATOM 432 CD1 LEU A 29 -1.079 9.134 0.806 1.00 0.00 C ATOM 433 CD2 LEU A 29 -2.974 8.518 2.375 1.00 0.00 C ATOM 0 H LEU A 29 -4.967 7.851 -0.691 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.988 9.562 1.622 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.362 9.454 -0.899 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.127 10.659 0.351 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.606 7.701 0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.439 8.436 1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.785 9.158 -0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.973 10.130 1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.296 7.833 2.884 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.951 9.487 2.873 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.987 8.117 2.407 1.00 0.00 H new ATOM 445 N SER A 30 -5.843 10.875 -1.273 1.00 0.00 N ATOM 446 CA SER A 30 -6.592 11.963 -1.879 1.00 0.00 C ATOM 447 C SER A 30 -6.523 11.860 -3.404 1.00 0.00 C ATOM 448 O SER A 30 -6.044 10.862 -3.941 1.00 0.00 O ATOM 449 CB SER A 30 -6.063 13.321 -1.415 1.00 0.00 C ATOM 450 OG SER A 30 -6.946 13.951 -0.491 1.00 0.00 O ATOM 0 H SER A 30 -5.393 10.245 -1.937 1.00 0.00 H new ATOM 0 HA SER A 30 -7.632 11.881 -1.562 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.086 13.190 -0.950 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.921 13.969 -2.280 1.00 0.00 H new ATOM 0 HG SER A 30 -7.078 13.368 0.285 1.00 0.00 H new ATOM 456 N GLU A 31 -7.008 12.905 -4.058 1.00 0.00 N ATOM 457 CA GLU A 31 -7.007 12.944 -5.511 1.00 0.00 C ATOM 458 C GLU A 31 -6.668 14.352 -6.004 1.00 0.00 C ATOM 459 O GLU A 31 -7.365 15.312 -5.677 1.00 0.00 O ATOM 460 CB GLU A 31 -8.351 12.475 -6.073 1.00 0.00 C ATOM 461 CG GLU A 31 -8.217 12.057 -7.538 1.00 0.00 C ATOM 462 CD GLU A 31 -9.131 12.896 -8.434 1.00 0.00 C ATOM 463 OE1 GLU A 31 -10.350 12.898 -8.157 1.00 0.00 O ATOM 464 OE2 GLU A 31 -8.590 13.515 -9.375 1.00 0.00 O ATOM 0 H GLU A 31 -7.404 13.731 -3.609 1.00 0.00 H new ATOM 0 HA GLU A 31 -6.240 12.259 -5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.722 11.636 -5.484 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.085 13.276 -5.985 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.182 12.172 -7.859 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.468 11.002 -7.643 1.00 0.00 H new ATOM 471 N ARG A 32 -5.599 14.431 -6.782 1.00 0.00 N ATOM 472 CA ARG A 32 -5.159 15.706 -7.322 1.00 0.00 C ATOM 473 C ARG A 32 -3.961 15.503 -8.252 1.00 0.00 C ATOM 474 O ARG A 32 -3.184 14.566 -8.074 1.00 0.00 O ATOM 475 CB ARG A 32 -4.770 16.674 -6.204 1.00 0.00 C ATOM 476 CG ARG A 32 -3.548 16.164 -5.437 1.00 0.00 C ATOM 477 CD ARG A 32 -3.367 16.926 -4.123 1.00 0.00 C ATOM 478 NE ARG A 32 -2.630 18.186 -4.366 1.00 0.00 N ATOM 479 CZ ARG A 32 -3.210 19.335 -4.742 1.00 0.00 C ATOM 480 NH1 ARG A 32 -4.537 19.389 -4.919 1.00 0.00 N ATOM 481 NH2 ARG A 32 -2.462 20.429 -4.940 1.00 0.00 N ATOM 0 H ARG A 32 -5.024 13.633 -7.051 1.00 0.00 H new ATOM 0 HA ARG A 32 -5.991 16.133 -7.882 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.555 17.655 -6.627 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -5.608 16.799 -5.518 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.662 15.100 -5.231 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.655 16.276 -6.052 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.340 17.143 -3.682 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.823 16.309 -3.407 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.618 18.180 -4.240 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.106 18.556 -4.768 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.978 20.263 -5.205 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.452 20.387 -4.805 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -2.903 21.303 -5.226 1.00 0.00 H new ATOM 495 N GLY A 33 -3.848 16.397 -9.223 1.00 0.00 N ATOM 496 CA GLY A 33 -2.758 16.328 -10.181 1.00 0.00 C ATOM 497 C GLY A 33 -2.986 17.298 -11.342 1.00 0.00 C ATOM 498 O GLY A 33 -3.060 18.509 -11.139 1.00 0.00 O ATOM 0 H GLY A 33 -4.494 17.173 -9.367 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.817 16.565 -9.684 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.669 15.311 -10.564 1.00 0.00 H new ATOM 502 N MET A 34 -3.091 16.729 -12.535 1.00 0.00 N ATOM 503 CA MET A 34 -3.309 17.528 -13.728 1.00 0.00 C ATOM 504 C MET A 34 -4.778 17.490 -14.153 1.00 0.00 C ATOM 505 O MET A 34 -5.527 16.608 -13.734 1.00 0.00 O ATOM 506 CB MET A 34 -2.435 16.996 -14.866 1.00 0.00 C ATOM 507 CG MET A 34 -0.997 17.502 -14.735 1.00 0.00 C ATOM 508 SD MET A 34 -0.792 19.008 -15.672 1.00 0.00 S ATOM 509 CE MET A 34 0.228 18.406 -17.007 1.00 0.00 C ATOM 0 H MET A 34 -3.029 15.724 -12.700 1.00 0.00 H new ATOM 0 HA MET A 34 -3.041 18.561 -13.504 1.00 0.00 H new ATOM 0 HB2 MET A 34 -2.443 15.906 -14.857 1.00 0.00 H new ATOM 0 HB3 MET A 34 -2.849 17.310 -15.824 1.00 0.00 H new ATOM 0 HG2 MET A 34 -0.760 17.681 -13.686 1.00 0.00 H new ATOM 0 HG3 MET A 34 -0.302 16.743 -15.094 1.00 0.00 H new ATOM 0 HE1 MET A 34 0.452 19.224 -17.691 1.00 0.00 H new ATOM 0 HE2 MET A 34 1.158 18.006 -16.603 1.00 0.00 H new ATOM 0 HE3 MET A 34 -0.302 17.619 -17.544 1.00 0.00 H new ATOM 519 N PRO A 35 -5.158 18.484 -15.001 1.00 0.00 N ATOM 520 CA PRO A 35 -6.524 18.572 -15.486 1.00 0.00 C ATOM 521 C PRO A 35 -6.797 17.510 -16.553 1.00 0.00 C ATOM 522 O PRO A 35 -7.895 16.960 -16.621 1.00 0.00 O ATOM 523 CB PRO A 35 -6.664 19.991 -16.012 1.00 0.00 C ATOM 524 CG PRO A 35 -5.247 20.497 -16.228 1.00 0.00 C ATOM 525 CD PRO A 35 -4.299 19.545 -15.518 1.00 0.00 C ATOM 0 HA PRO A 35 -7.260 18.375 -14.707 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -7.231 20.008 -16.943 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.199 20.620 -15.301 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -5.016 20.543 -17.292 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -5.138 21.508 -15.835 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.549 19.149 -16.203 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.762 20.047 -14.713 1.00 0.00 H new ATOM 533 N ARG A 36 -5.778 17.252 -17.360 1.00 0.00 N ATOM 534 CA ARG A 36 -5.894 16.266 -18.421 1.00 0.00 C ATOM 535 C ARG A 36 -6.052 14.865 -17.827 1.00 0.00 C ATOM 536 O ARG A 36 -7.036 14.179 -18.100 1.00 0.00 O ATOM 537 CB ARG A 36 -4.665 16.290 -19.332 1.00 0.00 C ATOM 538 CG ARG A 36 -4.850 17.290 -20.475 1.00 0.00 C ATOM 539 CD ARG A 36 -3.581 17.393 -21.324 1.00 0.00 C ATOM 540 NE ARG A 36 -3.357 18.797 -21.732 1.00 0.00 N ATOM 541 CZ ARG A 36 -4.053 19.420 -22.694 1.00 0.00 C ATOM 542 NH1 ARG A 36 -5.020 18.766 -23.352 1.00 0.00 N ATOM 543 NH2 ARG A 36 -3.781 20.697 -22.998 1.00 0.00 N ATOM 0 H ARG A 36 -4.868 17.709 -17.300 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.775 16.516 -19.012 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.782 16.556 -18.751 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.490 15.294 -19.740 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.687 16.981 -21.101 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.101 18.270 -20.069 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.724 17.029 -20.757 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.672 16.759 -22.206 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.628 19.324 -21.252 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.227 17.794 -23.121 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.549 19.240 -24.084 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.045 21.195 -22.498 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.310 21.171 -23.730 1.00 0.00 H new ATOM 557 N ARG A 37 -5.069 14.481 -17.026 1.00 0.00 N ATOM 558 CA ARG A 37 -5.087 13.174 -16.391 1.00 0.00 C ATOM 559 C ARG A 37 -4.776 13.304 -14.899 1.00 0.00 C ATOM 560 O ARG A 37 -3.629 13.144 -14.484 1.00 0.00 O ATOM 561 CB ARG A 37 -4.068 12.234 -17.038 1.00 0.00 C ATOM 562 CG ARG A 37 -4.707 11.430 -18.172 1.00 0.00 C ATOM 563 CD ARG A 37 -4.205 9.984 -18.169 1.00 0.00 C ATOM 564 NE ARG A 37 -4.606 9.306 -19.422 1.00 0.00 N ATOM 565 CZ ARG A 37 -4.452 7.995 -19.649 1.00 0.00 C ATOM 566 NH1 ARG A 37 -3.904 7.212 -18.710 1.00 0.00 N ATOM 567 NH2 ARG A 37 -4.845 7.466 -20.816 1.00 0.00 N ATOM 0 H ARG A 37 -4.254 15.052 -16.802 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.085 12.755 -16.522 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.229 12.812 -17.425 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.667 11.554 -16.287 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -5.792 11.442 -18.065 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.476 11.897 -19.129 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.120 9.967 -18.068 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.613 9.451 -17.311 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.026 9.873 -20.159 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.604 7.614 -17.822 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.787 6.214 -18.883 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.261 8.062 -21.532 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -4.728 6.468 -20.989 1.00 0.00 H new ATOM 581 N ARG A 38 -5.818 13.593 -14.133 1.00 0.00 N ATOM 582 CA ARG A 38 -5.670 13.747 -12.695 1.00 0.00 C ATOM 583 C ARG A 38 -4.874 12.576 -12.116 1.00 0.00 C ATOM 584 O ARG A 38 -4.639 11.581 -12.800 1.00 0.00 O ATOM 585 CB ARG A 38 -7.034 13.818 -12.006 1.00 0.00 C ATOM 586 CG ARG A 38 -7.953 14.818 -12.710 1.00 0.00 C ATOM 587 CD ARG A 38 -8.602 15.770 -11.703 1.00 0.00 C ATOM 588 NE ARG A 38 -10.058 15.853 -11.951 1.00 0.00 N ATOM 589 CZ ARG A 38 -10.905 16.584 -11.214 1.00 0.00 C ATOM 590 NH1 ARG A 38 -10.446 17.299 -10.177 1.00 0.00 N ATOM 591 NH2 ARG A 38 -12.211 16.600 -11.512 1.00 0.00 N ATOM 0 H ARG A 38 -6.768 13.725 -14.481 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.135 14.679 -12.514 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.497 12.831 -12.006 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.904 14.109 -10.964 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.382 15.390 -13.441 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.727 14.282 -13.260 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.417 15.420 -10.688 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -8.154 16.760 -11.785 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.441 15.320 -12.732 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.452 17.286 -9.949 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.091 17.856 -9.616 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.561 16.055 -12.300 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.855 17.157 -10.951 1.00 0.00 H new ATOM 605 N GLU A 39 -4.480 12.733 -10.861 1.00 0.00 N ATOM 606 CA GLU A 39 -3.715 11.702 -10.181 1.00 0.00 C ATOM 607 C GLU A 39 -4.383 11.332 -8.855 1.00 0.00 C ATOM 608 O GLU A 39 -4.815 12.208 -8.108 1.00 0.00 O ATOM 609 CB GLU A 39 -2.268 12.148 -9.961 1.00 0.00 C ATOM 610 CG GLU A 39 -1.423 11.007 -9.391 1.00 0.00 C ATOM 611 CD GLU A 39 0.019 11.087 -9.896 1.00 0.00 C ATOM 612 OE1 GLU A 39 0.717 12.033 -9.471 1.00 0.00 O ATOM 613 OE2 GLU A 39 0.391 10.202 -10.696 1.00 0.00 O ATOM 0 H GLU A 39 -4.676 13.560 -10.297 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.695 10.815 -10.814 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.840 12.486 -10.905 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.245 12.998 -9.279 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.434 11.051 -8.302 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.859 10.049 -9.676 1.00 0.00 H new ATOM 620 N PHE A 40 -4.446 10.033 -8.603 1.00 0.00 N ATOM 621 CA PHE A 40 -5.054 9.536 -7.381 1.00 0.00 C ATOM 622 C PHE A 40 -3.996 8.961 -6.437 1.00 0.00 C ATOM 623 O PHE A 40 -3.229 8.079 -6.822 1.00 0.00 O ATOM 624 CB PHE A 40 -6.022 8.422 -7.783 1.00 0.00 C ATOM 625 CG PHE A 40 -7.357 8.926 -8.334 1.00 0.00 C ATOM 626 CD1 PHE A 40 -7.387 9.655 -9.482 1.00 0.00 C ATOM 627 CD2 PHE A 40 -8.514 8.646 -7.677 1.00 0.00 C ATOM 628 CE1 PHE A 40 -8.626 10.123 -9.994 1.00 0.00 C ATOM 629 CE2 PHE A 40 -9.753 9.114 -8.188 1.00 0.00 C ATOM 630 CZ PHE A 40 -9.783 9.843 -9.336 1.00 0.00 C ATOM 0 H PHE A 40 -4.086 9.309 -9.225 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.563 10.348 -6.862 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -5.544 7.794 -8.535 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.214 7.791 -6.915 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.468 9.878 -10.004 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.490 8.067 -6.766 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -8.650 10.701 -10.906 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -10.672 8.891 -7.665 1.00 0.00 H new ATOM 0 HZ PHE A 40 -10.725 10.199 -9.725 1.00 0.00 H new ATOM 640 N VAL A 41 -3.988 9.483 -5.219 1.00 0.00 N ATOM 641 CA VAL A 41 -3.037 9.032 -4.218 1.00 0.00 C ATOM 642 C VAL A 41 -3.638 7.858 -3.442 1.00 0.00 C ATOM 643 O VAL A 41 -4.758 7.948 -2.941 1.00 0.00 O ATOM 644 CB VAL A 41 -2.634 10.200 -3.316 1.00 0.00 C ATOM 645 CG1 VAL A 41 -1.423 9.835 -2.454 1.00 0.00 C ATOM 646 CG2 VAL A 41 -2.361 11.460 -4.139 1.00 0.00 C ATOM 0 H VAL A 41 -4.625 10.214 -4.903 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.123 8.674 -4.693 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.469 10.411 -2.648 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.157 10.683 -1.822 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.668 8.978 -1.827 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.580 9.584 -3.098 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.077 12.275 -3.473 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.551 11.267 -4.843 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.260 11.738 -4.689 1.00 0.00 H new ATOM 656 N MET A 42 -2.867 6.783 -3.367 1.00 0.00 N ATOM 657 CA MET A 42 -3.309 5.592 -2.662 1.00 0.00 C ATOM 658 C MET A 42 -2.279 5.161 -1.615 1.00 0.00 C ATOM 659 O MET A 42 -1.075 5.291 -1.833 1.00 0.00 O ATOM 660 CB MET A 42 -3.525 4.456 -3.663 1.00 0.00 C ATOM 661 CG MET A 42 -4.947 3.899 -3.560 1.00 0.00 C ATOM 662 SD MET A 42 -5.097 2.873 -2.108 1.00 0.00 S ATOM 663 CE MET A 42 -6.833 2.466 -2.193 1.00 0.00 C ATOM 0 H MET A 42 -1.938 6.712 -3.783 1.00 0.00 H new ATOM 0 HA MET A 42 -4.245 5.821 -2.152 1.00 0.00 H new ATOM 0 HB2 MET A 42 -3.345 4.819 -4.675 1.00 0.00 H new ATOM 0 HB3 MET A 42 -2.804 3.660 -3.477 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.665 4.718 -3.512 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.185 3.319 -4.452 1.00 0.00 H new ATOM 0 HE1 MET A 42 -7.357 2.929 -1.357 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.248 2.836 -3.130 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.956 1.384 -2.144 1.00 0.00 H new ATOM 673 N GLN A 43 -2.790 4.658 -0.501 1.00 0.00 N ATOM 674 CA GLN A 43 -1.930 4.207 0.580 1.00 0.00 C ATOM 675 C GLN A 43 -2.164 2.721 0.860 1.00 0.00 C ATOM 676 O GLN A 43 -3.257 2.207 0.628 1.00 0.00 O ATOM 677 CB GLN A 43 -2.150 5.044 1.841 1.00 0.00 C ATOM 678 CG GLN A 43 -0.894 5.059 2.715 1.00 0.00 C ATOM 679 CD GLN A 43 -1.039 6.058 3.865 1.00 0.00 C ATOM 680 OE1 GLN A 43 -0.254 6.979 4.024 1.00 0.00 O ATOM 681 NE2 GLN A 43 -2.083 5.825 4.656 1.00 0.00 N ATOM 0 H GLN A 43 -3.789 4.553 -0.324 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.893 4.339 0.272 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -2.416 6.064 1.563 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.988 4.639 2.409 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.713 4.061 3.116 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.027 5.321 2.108 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.701 5.036 4.466 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -2.266 6.435 5.452 1.00 0.00 H new ATOM 690 N VAL A 44 -1.119 2.073 1.354 1.00 0.00 N ATOM 691 CA VAL A 44 -1.197 0.657 1.668 1.00 0.00 C ATOM 692 C VAL A 44 -0.495 0.395 3.002 1.00 0.00 C ATOM 693 O VAL A 44 0.630 0.843 3.214 1.00 0.00 O ATOM 694 CB VAL A 44 -0.618 -0.167 0.516 1.00 0.00 C ATOM 695 CG1 VAL A 44 0.858 0.167 0.291 1.00 0.00 C ATOM 696 CG2 VAL A 44 -0.809 -1.665 0.764 1.00 0.00 C ATOM 0 H VAL A 44 -0.214 2.503 1.544 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.236 0.348 1.781 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.163 0.095 -0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.245 -0.432 -0.533 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.959 1.225 0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.423 -0.053 1.197 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.389 -2.228 -0.069 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.302 -1.949 1.686 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.873 -1.887 0.852 1.00 0.00 H new ATOM 706 N LYS A 45 -1.189 -0.330 3.868 1.00 0.00 N ATOM 707 CA LYS A 45 -0.647 -0.656 5.175 1.00 0.00 C ATOM 708 C LYS A 45 -0.547 -2.177 5.316 1.00 0.00 C ATOM 709 O LYS A 45 -1.559 -2.875 5.278 1.00 0.00 O ATOM 710 CB LYS A 45 -1.470 0.011 6.279 1.00 0.00 C ATOM 711 CG LYS A 45 -0.585 0.396 7.466 1.00 0.00 C ATOM 712 CD LYS A 45 -1.431 0.864 8.652 1.00 0.00 C ATOM 713 CE LYS A 45 -1.280 2.370 8.873 1.00 0.00 C ATOM 714 NZ LYS A 45 -0.582 2.640 10.150 1.00 0.00 N ATOM 0 H LYS A 45 -2.122 -0.701 3.689 1.00 0.00 H new ATOM 0 HA LYS A 45 0.363 -0.258 5.278 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.962 0.900 5.884 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.256 -0.667 6.612 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.023 -0.459 7.763 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.102 1.188 7.170 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.479 0.622 8.474 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.129 0.329 9.552 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.722 2.810 8.047 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.262 2.842 8.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.488 3.667 10.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.130 2.237 10.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.363 2.206 10.128 1.00 0.00 H new ATOM 728 N VAL A 46 0.682 -2.645 5.476 1.00 0.00 N ATOM 729 CA VAL A 46 0.927 -4.070 5.623 1.00 0.00 C ATOM 730 C VAL A 46 1.732 -4.315 6.900 1.00 0.00 C ATOM 731 O VAL A 46 2.909 -3.964 6.973 1.00 0.00 O ATOM 732 CB VAL A 46 1.613 -4.615 4.368 1.00 0.00 C ATOM 733 CG1 VAL A 46 2.446 -5.856 4.695 1.00 0.00 C ATOM 734 CG2 VAL A 46 0.591 -4.914 3.270 1.00 0.00 C ATOM 0 H VAL A 46 1.519 -2.063 5.507 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.014 -4.612 5.723 1.00 0.00 H new ATOM 0 HB VAL A 46 2.289 -3.846 3.995 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.923 -6.224 3.787 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.211 -5.598 5.428 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.798 -6.631 5.104 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.105 -5.300 2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.122 -5.657 3.629 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.060 -3.999 3.008 1.00 0.00 H new ATOM 744 N GLY A 47 1.067 -4.918 7.874 1.00 0.00 N ATOM 745 CA GLY A 47 1.707 -5.214 9.145 1.00 0.00 C ATOM 746 C GLY A 47 2.229 -3.938 9.807 1.00 0.00 C ATOM 747 O GLY A 47 1.448 -3.125 10.299 1.00 0.00 O ATOM 0 H GLY A 47 0.092 -5.210 7.809 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.996 -5.707 9.808 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.531 -5.910 8.988 1.00 0.00 H new ATOM 751 N ASN A 48 3.547 -3.802 9.799 1.00 0.00 N ATOM 752 CA ASN A 48 4.183 -2.638 10.394 1.00 0.00 C ATOM 753 C ASN A 48 4.858 -1.815 9.295 1.00 0.00 C ATOM 754 O ASN A 48 5.811 -1.083 9.560 1.00 0.00 O ATOM 755 CB ASN A 48 5.256 -3.052 11.402 1.00 0.00 C ATOM 756 CG ASN A 48 5.021 -2.383 12.758 1.00 0.00 C ATOM 757 OD1 ASN A 48 3.910 -2.038 13.125 1.00 0.00 O ATOM 758 ND2 ASN A 48 6.127 -2.220 13.479 1.00 0.00 N ATOM 0 H ASN A 48 4.192 -4.478 9.390 1.00 0.00 H new ATOM 0 HA ASN A 48 3.415 -2.057 10.904 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.250 -4.135 11.521 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.241 -2.779 11.023 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.076 -1.783 14.399 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.026 -2.532 13.112 1.00 0.00 H new ATOM 765 N GLU A 49 4.338 -1.962 8.085 1.00 0.00 N ATOM 766 CA GLU A 49 4.879 -1.242 6.945 1.00 0.00 C ATOM 767 C GLU A 49 3.760 -0.514 6.198 1.00 0.00 C ATOM 768 O GLU A 49 2.594 -0.895 6.294 1.00 0.00 O ATOM 769 CB GLU A 49 5.640 -2.185 6.011 1.00 0.00 C ATOM 770 CG GLU A 49 7.084 -2.374 6.480 1.00 0.00 C ATOM 771 CD GLU A 49 7.187 -3.519 7.490 1.00 0.00 C ATOM 772 OE1 GLU A 49 7.182 -4.682 7.031 1.00 0.00 O ATOM 773 OE2 GLU A 49 7.268 -3.206 8.697 1.00 0.00 O ATOM 0 H GLU A 49 3.547 -2.569 7.870 1.00 0.00 H new ATOM 0 HA GLU A 49 5.587 -0.499 7.312 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.136 -3.151 5.975 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.633 -1.783 4.998 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.724 -2.582 5.623 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.447 -1.451 6.933 1.00 0.00 H new ATOM 780 N VAL A 50 4.154 0.520 5.469 1.00 0.00 N ATOM 781 CA VAL A 50 3.198 1.304 4.705 1.00 0.00 C ATOM 782 C VAL A 50 3.819 1.687 3.360 1.00 0.00 C ATOM 783 O VAL A 50 5.040 1.767 3.236 1.00 0.00 O ATOM 784 CB VAL A 50 2.745 2.517 5.521 1.00 0.00 C ATOM 785 CG1 VAL A 50 3.482 3.782 5.078 1.00 0.00 C ATOM 786 CG2 VAL A 50 1.230 2.704 5.429 1.00 0.00 C ATOM 0 H VAL A 50 5.122 0.833 5.391 1.00 0.00 H new ATOM 0 HA VAL A 50 2.304 0.717 4.495 1.00 0.00 H new ATOM 0 HB VAL A 50 2.997 2.332 6.565 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.141 4.629 5.674 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.554 3.647 5.219 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.276 3.973 4.025 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.934 3.572 6.018 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.945 2.857 4.388 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.730 1.816 5.816 1.00 0.00 H new ATOM 796 N ALA A 51 2.949 1.914 2.386 1.00 0.00 N ATOM 797 CA ALA A 51 3.396 2.286 1.055 1.00 0.00 C ATOM 798 C ALA A 51 2.350 3.194 0.406 1.00 0.00 C ATOM 799 O ALA A 51 1.237 3.325 0.911 1.00 0.00 O ATOM 800 CB ALA A 51 3.663 1.023 0.234 1.00 0.00 C ATOM 0 H ALA A 51 1.937 1.847 2.493 1.00 0.00 H new ATOM 0 HA ALA A 51 4.331 2.844 1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.998 1.302 -0.765 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.434 0.428 0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.747 0.438 0.158 1.00 0.00 H new ATOM 806 N THR A 52 2.745 3.798 -0.705 1.00 0.00 N ATOM 807 CA THR A 52 1.856 4.690 -1.429 1.00 0.00 C ATOM 808 C THR A 52 1.936 4.419 -2.933 1.00 0.00 C ATOM 809 O THR A 52 2.930 3.880 -3.418 1.00 0.00 O ATOM 810 CB THR A 52 2.217 6.128 -1.051 1.00 0.00 C ATOM 811 OG1 THR A 52 3.639 6.117 -0.965 1.00 0.00 O ATOM 812 CG2 THR A 52 1.761 6.494 0.363 1.00 0.00 C ATOM 0 H THR A 52 3.669 3.687 -1.122 1.00 0.00 H new ATOM 0 HA THR A 52 0.815 4.518 -1.155 1.00 0.00 H new ATOM 0 HB THR A 52 1.766 6.816 -1.767 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.959 7.012 -0.726 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.042 7.524 0.581 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.678 6.390 0.434 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.238 5.828 1.083 1.00 0.00 H new ATOM 820 N GLY A 53 0.877 4.805 -3.629 1.00 0.00 N ATOM 821 CA GLY A 53 0.815 4.610 -5.067 1.00 0.00 C ATOM 822 C GLY A 53 0.034 5.740 -5.741 1.00 0.00 C ATOM 823 O GLY A 53 -0.854 6.335 -5.131 1.00 0.00 O ATOM 0 H GLY A 53 0.055 5.252 -3.223 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.825 4.567 -5.476 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.341 3.654 -5.288 1.00 0.00 H new ATOM 827 N THR A 54 0.392 6.003 -6.989 1.00 0.00 N ATOM 828 CA THR A 54 -0.264 7.051 -7.751 1.00 0.00 C ATOM 829 C THR A 54 -0.558 6.571 -9.174 1.00 0.00 C ATOM 830 O THR A 54 0.147 5.713 -9.702 1.00 0.00 O ATOM 831 CB THR A 54 0.622 8.298 -7.701 1.00 0.00 C ATOM 832 OG1 THR A 54 1.895 7.836 -8.144 1.00 0.00 O ATOM 833 CG2 THR A 54 0.876 8.779 -6.271 1.00 0.00 C ATOM 0 H THR A 54 1.129 5.508 -7.492 1.00 0.00 H new ATOM 0 HA THR A 54 -1.233 7.306 -7.321 1.00 0.00 H new ATOM 0 HB THR A 54 0.155 9.099 -8.275 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.531 8.581 -8.144 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.510 9.666 -6.293 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.074 9.023 -5.795 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.373 7.991 -5.705 1.00 0.00 H new ATOM 841 N GLY A 55 -1.601 7.147 -9.755 1.00 0.00 N ATOM 842 CA GLY A 55 -1.997 6.788 -11.106 1.00 0.00 C ATOM 843 C GLY A 55 -3.103 7.714 -11.617 1.00 0.00 C ATOM 844 O GLY A 55 -3.487 8.664 -10.936 1.00 0.00 O ATOM 0 H GLY A 55 -2.183 7.859 -9.315 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.134 6.846 -11.769 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.345 5.755 -11.125 1.00 0.00 H new ATOM 848 N PRO A 56 -3.597 7.397 -12.844 1.00 0.00 N ATOM 849 CA PRO A 56 -4.651 8.189 -13.454 1.00 0.00 C ATOM 850 C PRO A 56 -6.003 7.902 -12.797 1.00 0.00 C ATOM 851 O PRO A 56 -6.966 8.638 -13.004 1.00 0.00 O ATOM 852 CB PRO A 56 -4.617 7.821 -14.928 1.00 0.00 C ATOM 853 CG PRO A 56 -3.865 6.503 -15.011 1.00 0.00 C ATOM 854 CD PRO A 56 -3.167 6.280 -13.679 1.00 0.00 C ATOM 0 HA PRO A 56 -4.502 9.261 -13.321 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.626 7.721 -15.329 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.117 8.594 -15.512 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.552 5.684 -15.224 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.138 6.528 -15.823 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.451 5.324 -13.238 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.083 6.268 -13.797 1.00 0.00 H new ATOM 862 N ASN A 57 -6.031 6.830 -12.019 1.00 0.00 N ATOM 863 CA ASN A 57 -7.248 6.437 -11.330 1.00 0.00 C ATOM 864 C ASN A 57 -6.884 5.728 -10.024 1.00 0.00 C ATOM 865 O ASN A 57 -5.727 5.370 -9.809 1.00 0.00 O ATOM 866 CB ASN A 57 -8.073 5.467 -12.180 1.00 0.00 C ATOM 867 CG ASN A 57 -7.348 4.130 -12.344 1.00 0.00 C ATOM 868 OD1 ASN A 57 -7.052 3.433 -11.387 1.00 0.00 O ATOM 869 ND2 ASN A 57 -7.081 3.811 -13.607 1.00 0.00 N ATOM 0 H ASN A 57 -5.230 6.221 -11.851 1.00 0.00 H new ATOM 0 HA ASN A 57 -7.833 7.337 -11.139 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -9.044 5.303 -11.713 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -8.261 5.906 -13.160 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.601 2.937 -13.822 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -7.357 4.440 -14.361 1.00 0.00 H new ATOM 876 N LYS A 58 -7.894 5.547 -9.185 1.00 0.00 N ATOM 877 CA LYS A 58 -7.694 4.888 -7.905 1.00 0.00 C ATOM 878 C LYS A 58 -7.092 3.501 -8.140 1.00 0.00 C ATOM 879 O LYS A 58 -6.108 3.132 -7.501 1.00 0.00 O ATOM 880 CB LYS A 58 -8.998 4.865 -7.106 1.00 0.00 C ATOM 881 CG LYS A 58 -8.720 4.890 -5.601 1.00 0.00 C ATOM 882 CD LYS A 58 -9.847 4.207 -4.824 1.00 0.00 C ATOM 883 CE LYS A 58 -10.706 5.237 -4.087 1.00 0.00 C ATOM 884 NZ LYS A 58 -12.121 5.126 -4.506 1.00 0.00 N ATOM 0 H LYS A 58 -8.852 5.845 -9.366 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.983 5.446 -7.295 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.612 5.723 -7.380 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.568 3.971 -7.359 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.775 4.388 -5.394 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.614 5.921 -5.264 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.470 3.632 -5.509 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.425 3.501 -4.109 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.626 5.083 -3.011 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -10.337 6.242 -4.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -12.690 5.832 -3.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.194 5.295 -5.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.474 4.173 -4.287 1.00 0.00 H new ATOM 898 N LYS A 59 -7.708 2.771 -9.057 1.00 0.00 N ATOM 899 CA LYS A 59 -7.245 1.433 -9.384 1.00 0.00 C ATOM 900 C LYS A 59 -5.718 1.437 -9.485 1.00 0.00 C ATOM 901 O LYS A 59 -5.031 0.981 -8.572 1.00 0.00 O ATOM 902 CB LYS A 59 -7.943 0.916 -10.643 1.00 0.00 C ATOM 903 CG LYS A 59 -8.973 -0.160 -10.296 1.00 0.00 C ATOM 904 CD LYS A 59 -10.220 0.458 -9.661 1.00 0.00 C ATOM 905 CE LYS A 59 -11.139 1.058 -10.727 1.00 0.00 C ATOM 906 NZ LYS A 59 -12.416 0.312 -10.789 1.00 0.00 N ATOM 0 H LYS A 59 -8.524 3.081 -9.584 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.511 0.734 -8.591 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.434 1.743 -11.156 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.203 0.508 -11.332 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.252 -0.705 -11.198 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.532 -0.883 -9.610 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.760 -0.302 -9.097 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.926 1.232 -8.952 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.334 2.106 -10.500 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.646 1.029 -11.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.028 0.732 -11.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.226 -0.682 -11.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -12.892 0.362 -9.866 1.00 0.00 H new ATOM 920 N ILE A 60 -5.232 1.957 -10.602 1.00 0.00 N ATOM 921 CA ILE A 60 -3.800 2.026 -10.835 1.00 0.00 C ATOM 922 C ILE A 60 -3.110 2.570 -9.582 1.00 0.00 C ATOM 923 O ILE A 60 -2.152 1.976 -9.089 1.00 0.00 O ATOM 924 CB ILE A 60 -3.500 2.832 -12.100 1.00 0.00 C ATOM 925 CG1 ILE A 60 -4.130 2.175 -13.330 1.00 0.00 C ATOM 926 CG2 ILE A 60 -1.995 3.045 -12.272 1.00 0.00 C ATOM 927 CD1 ILE A 60 -4.278 3.181 -14.474 1.00 0.00 C ATOM 0 H ILE A 60 -5.805 2.335 -11.356 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.396 1.030 -11.017 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.953 3.817 -11.992 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.513 1.337 -13.655 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.107 1.769 -13.069 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.810 3.621 -13.179 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.604 3.588 -11.412 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.497 2.078 -12.348 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.728 2.688 -15.336 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.915 4.005 -14.154 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.296 3.567 -14.749 1.00 0.00 H new ATOM 939 N ALA A 61 -3.624 3.694 -9.103 1.00 0.00 N ATOM 940 CA ALA A 61 -3.069 4.324 -7.917 1.00 0.00 C ATOM 941 C ALA A 61 -2.861 3.266 -6.832 1.00 0.00 C ATOM 942 O ALA A 61 -1.870 3.305 -6.105 1.00 0.00 O ATOM 943 CB ALA A 61 -3.994 5.454 -7.460 1.00 0.00 C ATOM 0 H ALA A 61 -4.418 4.184 -9.515 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.097 4.766 -8.136 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.578 5.927 -6.570 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.085 6.194 -8.255 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -4.978 5.047 -7.228 1.00 0.00 H new ATOM 949 N LYS A 62 -3.811 2.346 -6.758 1.00 0.00 N ATOM 950 CA LYS A 62 -3.744 1.279 -5.774 1.00 0.00 C ATOM 951 C LYS A 62 -2.680 0.265 -6.199 1.00 0.00 C ATOM 952 O LYS A 62 -1.869 -0.168 -5.383 1.00 0.00 O ATOM 953 CB LYS A 62 -5.128 0.664 -5.555 1.00 0.00 C ATOM 954 CG LYS A 62 -5.182 -0.111 -4.237 1.00 0.00 C ATOM 955 CD LYS A 62 -5.452 -1.596 -4.484 1.00 0.00 C ATOM 956 CE LYS A 62 -6.926 -1.838 -4.815 1.00 0.00 C ATOM 957 NZ LYS A 62 -7.607 -2.507 -3.684 1.00 0.00 N ATOM 0 H LYS A 62 -4.631 2.317 -7.363 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.439 1.673 -4.805 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.883 1.451 -5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.369 -0.003 -6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.239 0.007 -3.703 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.963 0.303 -3.599 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.828 -1.951 -5.304 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.175 -2.171 -3.601 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -7.417 -0.889 -5.033 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.008 -2.453 -5.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.607 -2.664 -3.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.149 -3.421 -3.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.545 -1.906 -2.837 1.00 0.00 H new ATOM 971 N LYS A 63 -2.719 -0.085 -7.476 1.00 0.00 N ATOM 972 CA LYS A 63 -1.769 -1.040 -8.020 1.00 0.00 C ATOM 973 C LYS A 63 -0.346 -0.576 -7.699 1.00 0.00 C ATOM 974 O LYS A 63 0.484 -1.369 -7.257 1.00 0.00 O ATOM 975 CB LYS A 63 -2.022 -1.258 -9.513 1.00 0.00 C ATOM 976 CG LYS A 63 -2.884 -2.500 -9.747 1.00 0.00 C ATOM 977 CD LYS A 63 -3.899 -2.261 -10.867 1.00 0.00 C ATOM 978 CE LYS A 63 -5.202 -1.684 -10.312 1.00 0.00 C ATOM 979 NZ LYS A 63 -6.364 -2.454 -10.809 1.00 0.00 N ATOM 0 H LYS A 63 -3.394 0.276 -8.150 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.901 -2.016 -7.553 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.517 -0.383 -9.933 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.071 -1.367 -10.035 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.247 -3.346 -10.004 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.407 -2.762 -8.827 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.479 -1.576 -11.604 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.103 -3.199 -11.384 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.182 -1.708 -9.222 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.298 -0.639 -10.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.133 -2.412 -10.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.691 -2.047 -11.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.086 -3.445 -10.958 1.00 0.00 H new ATOM 993 N ASN A 64 -0.109 0.706 -7.935 1.00 0.00 N ATOM 994 CA ASN A 64 1.199 1.284 -7.676 1.00 0.00 C ATOM 995 C ASN A 64 1.502 1.201 -6.179 1.00 0.00 C ATOM 996 O ASN A 64 2.647 0.985 -5.784 1.00 0.00 O ATOM 997 CB ASN A 64 1.240 2.758 -8.086 1.00 0.00 C ATOM 998 CG ASN A 64 1.646 2.907 -9.554 1.00 0.00 C ATOM 999 OD1 ASN A 64 2.793 3.162 -9.884 1.00 0.00 O ATOM 1000 ND2 ASN A 64 0.645 2.736 -10.412 1.00 0.00 N ATOM 0 H ASN A 64 -0.800 1.360 -8.302 1.00 0.00 H new ATOM 0 HA ASN A 64 1.935 0.727 -8.256 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.261 3.211 -7.928 1.00 0.00 H new ATOM 0 HB3 ASN A 64 1.946 3.296 -7.453 1.00 0.00 H new ATOM 0 HD21 ASN A 64 0.813 2.816 -11.415 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.291 2.524 -10.068 1.00 0.00 H new ATOM 1007 N ALA A 65 0.455 1.377 -5.385 1.00 0.00 N ATOM 1008 CA ALA A 65 0.595 1.325 -3.940 1.00 0.00 C ATOM 1009 C ALA A 65 1.059 -0.073 -3.527 1.00 0.00 C ATOM 1010 O ALA A 65 1.990 -0.213 -2.735 1.00 0.00 O ATOM 1011 CB ALA A 65 -0.731 1.716 -3.284 1.00 0.00 C ATOM 0 H ALA A 65 -0.493 1.556 -5.716 1.00 0.00 H new ATOM 0 HA ALA A 65 1.349 2.036 -3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -0.626 1.677 -2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.002 2.728 -3.586 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.511 1.022 -3.598 1.00 0.00 H new ATOM 1017 N ALA A 66 0.390 -1.072 -4.082 1.00 0.00 N ATOM 1018 CA ALA A 66 0.722 -2.454 -3.782 1.00 0.00 C ATOM 1019 C ALA A 66 2.155 -2.740 -4.235 1.00 0.00 C ATOM 1020 O ALA A 66 2.893 -3.457 -3.560 1.00 0.00 O ATOM 1021 CB ALA A 66 -0.296 -3.381 -4.448 1.00 0.00 C ATOM 0 H ALA A 66 -0.381 -0.952 -4.739 1.00 0.00 H new ATOM 0 HA ALA A 66 0.673 -2.635 -2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.046 -4.418 -4.222 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.294 -3.158 -4.070 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.275 -3.229 -5.527 1.00 0.00 H new ATOM 1027 N GLU A 67 2.507 -2.164 -5.376 1.00 0.00 N ATOM 1028 CA GLU A 67 3.838 -2.348 -5.928 1.00 0.00 C ATOM 1029 C GLU A 67 4.896 -1.856 -4.937 1.00 0.00 C ATOM 1030 O GLU A 67 5.674 -2.649 -4.410 1.00 0.00 O ATOM 1031 CB GLU A 67 3.976 -1.637 -7.275 1.00 0.00 C ATOM 1032 CG GLU A 67 5.281 -2.030 -7.971 1.00 0.00 C ATOM 1033 CD GLU A 67 5.574 -1.100 -9.151 1.00 0.00 C ATOM 1034 OE1 GLU A 67 5.580 0.128 -8.918 1.00 0.00 O ATOM 1035 OE2 GLU A 67 5.786 -1.639 -10.259 1.00 0.00 O ATOM 0 H GLU A 67 1.893 -1.570 -5.933 1.00 0.00 H new ATOM 0 HA GLU A 67 3.995 -3.413 -6.099 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.129 -1.890 -7.913 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.950 -0.558 -7.125 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.104 -1.989 -7.258 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.214 -3.060 -8.322 1.00 0.00 H new ATOM 1042 N ALA A 68 4.889 -0.550 -4.714 1.00 0.00 N ATOM 1043 CA ALA A 68 5.838 0.057 -3.797 1.00 0.00 C ATOM 1044 C ALA A 68 6.000 -0.841 -2.569 1.00 0.00 C ATOM 1045 O ALA A 68 7.120 -1.158 -2.170 1.00 0.00 O ATOM 1046 CB ALA A 68 5.365 1.465 -3.430 1.00 0.00 C ATOM 0 H ALA A 68 4.241 0.104 -5.153 1.00 0.00 H new ATOM 0 HA ALA A 68 6.817 0.154 -4.267 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.077 1.920 -2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.294 2.072 -4.333 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.386 1.407 -2.954 1.00 0.00 H new ATOM 1052 N MET A 69 4.866 -1.227 -2.004 1.00 0.00 N ATOM 1053 CA MET A 69 4.868 -2.083 -0.829 1.00 0.00 C ATOM 1054 C MET A 69 5.756 -3.309 -1.046 1.00 0.00 C ATOM 1055 O MET A 69 6.538 -3.677 -0.171 1.00 0.00 O ATOM 1056 CB MET A 69 3.438 -2.534 -0.524 1.00 0.00 C ATOM 1057 CG MET A 69 3.424 -3.621 0.553 1.00 0.00 C ATOM 1058 SD MET A 69 4.465 -3.137 1.920 1.00 0.00 S ATOM 1059 CE MET A 69 3.343 -2.062 2.799 1.00 0.00 C ATOM 0 H MET A 69 3.939 -0.963 -2.338 1.00 0.00 H new ATOM 0 HA MET A 69 5.266 -1.515 0.012 1.00 0.00 H new ATOM 0 HB2 MET A 69 2.847 -1.681 -0.192 1.00 0.00 H new ATOM 0 HB3 MET A 69 2.970 -2.912 -1.433 1.00 0.00 H new ATOM 0 HG2 MET A 69 2.405 -3.786 0.902 1.00 0.00 H new ATOM 0 HG3 MET A 69 3.774 -4.564 0.134 1.00 0.00 H new ATOM 0 HE1 MET A 69 3.580 -2.080 3.863 1.00 0.00 H new ATOM 0 HE2 MET A 69 3.443 -1.044 2.422 1.00 0.00 H new ATOM 0 HE3 MET A 69 2.319 -2.405 2.650 1.00 0.00 H new ATOM 1069 N LEU A 70 5.605 -3.910 -2.218 1.00 0.00 N ATOM 1070 CA LEU A 70 6.383 -5.088 -2.561 1.00 0.00 C ATOM 1071 C LEU A 70 7.838 -4.679 -2.804 1.00 0.00 C ATOM 1072 O LEU A 70 8.758 -5.320 -2.299 1.00 0.00 O ATOM 1073 CB LEU A 70 5.747 -5.826 -3.740 1.00 0.00 C ATOM 1074 CG LEU A 70 4.254 -6.137 -3.610 1.00 0.00 C ATOM 1075 CD1 LEU A 70 3.562 -6.081 -4.974 1.00 0.00 C ATOM 1076 CD2 LEU A 70 4.033 -7.478 -2.909 1.00 0.00 C ATOM 0 H LEU A 70 4.955 -3.603 -2.942 1.00 0.00 H new ATOM 0 HA LEU A 70 6.384 -5.798 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.897 -5.229 -4.640 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.282 -6.764 -3.887 1.00 0.00 H new ATOM 0 HG LEU A 70 3.797 -5.369 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.502 -6.306 -4.854 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.676 -5.084 -5.399 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.015 -6.814 -5.642 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.964 -7.675 -2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.506 -8.272 -3.486 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.471 -7.444 -1.911 1.00 0.00 H new ATOM 1088 N LEU A 71 7.999 -3.616 -3.577 1.00 0.00 N ATOM 1089 CA LEU A 71 9.326 -3.114 -3.893 1.00 0.00 C ATOM 1090 C LEU A 71 10.093 -2.859 -2.594 1.00 0.00 C ATOM 1091 O LEU A 71 11.258 -3.234 -2.473 1.00 0.00 O ATOM 1092 CB LEU A 71 9.232 -1.888 -4.803 1.00 0.00 C ATOM 1093 CG LEU A 71 8.893 -2.164 -6.269 1.00 0.00 C ATOM 1094 CD1 LEU A 71 10.161 -2.240 -7.121 1.00 0.00 C ATOM 1095 CD2 LEU A 71 8.035 -3.424 -6.405 1.00 0.00 C ATOM 0 H LEU A 71 7.233 -3.088 -3.994 1.00 0.00 H new ATOM 0 HA LEU A 71 9.891 -3.857 -4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.476 -1.216 -4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.184 -1.358 -4.765 1.00 0.00 H new ATOM 0 HG LEU A 71 8.302 -1.329 -6.646 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.891 -2.437 -8.158 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.698 -1.293 -7.059 1.00 0.00 H new ATOM 0 HD13 LEU A 71 10.799 -3.044 -6.753 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.808 -3.598 -7.457 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.579 -4.280 -6.005 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.106 -3.293 -5.850 1.00 0.00 H new ATOM 1107 N GLN A 72 9.407 -2.225 -1.654 1.00 0.00 N ATOM 1108 CA GLN A 72 10.009 -1.915 -0.369 1.00 0.00 C ATOM 1109 C GLN A 72 10.278 -3.202 0.415 1.00 0.00 C ATOM 1110 O GLN A 72 11.351 -3.368 0.993 1.00 0.00 O ATOM 1111 CB GLN A 72 9.126 -0.959 0.435 1.00 0.00 C ATOM 1112 CG GLN A 72 8.607 -1.630 1.708 1.00 0.00 C ATOM 1113 CD GLN A 72 7.848 -0.632 2.584 1.00 0.00 C ATOM 1114 OE1 GLN A 72 8.417 0.080 3.396 1.00 0.00 O ATOM 1115 NE2 GLN A 72 6.535 -0.618 2.376 1.00 0.00 N ATOM 0 H GLN A 72 8.440 -1.918 -1.757 1.00 0.00 H new ATOM 0 HA GLN A 72 10.961 -1.414 -0.547 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.694 -0.066 0.696 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.285 -0.633 -0.177 1.00 0.00 H new ATOM 0 HG2 GLN A 72 7.951 -2.460 1.444 1.00 0.00 H new ATOM 0 HG3 GLN A 72 9.442 -2.049 2.269 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.122 -1.240 1.681 1.00 0.00 H new ATOM 0 HE22 GLN A 72 5.941 0.015 2.911 1.00 0.00 H new ATOM 1124 N LEU A 73 9.285 -4.079 0.408 1.00 0.00 N ATOM 1125 CA LEU A 73 9.401 -5.346 1.111 1.00 0.00 C ATOM 1126 C LEU A 73 10.681 -6.056 0.665 1.00 0.00 C ATOM 1127 O LEU A 73 11.407 -6.610 1.489 1.00 0.00 O ATOM 1128 CB LEU A 73 8.135 -6.182 0.920 1.00 0.00 C ATOM 1129 CG LEU A 73 7.207 -6.281 2.132 1.00 0.00 C ATOM 1130 CD1 LEU A 73 7.250 -4.996 2.962 1.00 0.00 C ATOM 1131 CD2 LEU A 73 5.782 -6.639 1.704 1.00 0.00 C ATOM 0 H LEU A 73 8.397 -3.938 -0.073 1.00 0.00 H new ATOM 0 HA LEU A 73 9.486 -5.180 2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.569 -5.763 0.088 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.430 -7.190 0.630 1.00 0.00 H new ATOM 0 HG LEU A 73 7.564 -7.089 2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.581 -5.093 3.817 1.00 0.00 H new ATOM 0 HD12 LEU A 73 8.267 -4.824 3.314 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.932 -4.154 2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.143 -6.703 2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 73 5.399 -5.870 1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.787 -7.600 1.189 1.00 0.00 H new ATOM 1143 N GLY A 74 10.918 -6.018 -0.638 1.00 0.00 N ATOM 1144 CA GLY A 74 12.097 -6.651 -1.204 1.00 0.00 C ATOM 1145 C GLY A 74 11.719 -7.902 -2.000 1.00 0.00 C ATOM 1146 O GLY A 74 12.419 -8.911 -1.946 1.00 0.00 O ATOM 0 H GLY A 74 10.313 -5.558 -1.318 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.617 -5.946 -1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 74 12.789 -6.919 -0.406 1.00 0.00 H new ATOM 1150 N TYR A 75 10.612 -7.794 -2.720 1.00 0.00 N ATOM 1151 CA TYR A 75 10.133 -8.903 -3.527 1.00 0.00 C ATOM 1152 C TYR A 75 10.374 -8.644 -5.015 1.00 0.00 C ATOM 1153 O TYR A 75 10.299 -9.563 -5.829 1.00 0.00 O ATOM 1154 CB TYR A 75 8.626 -8.988 -3.274 1.00 0.00 C ATOM 1155 CG TYR A 75 8.256 -9.600 -1.921 1.00 0.00 C ATOM 1156 CD1 TYR A 75 8.752 -9.051 -0.756 1.00 0.00 C ATOM 1157 CD2 TYR A 75 7.426 -10.701 -1.866 1.00 0.00 C ATOM 1158 CE1 TYR A 75 8.403 -9.627 0.517 1.00 0.00 C ATOM 1159 CE2 TYR A 75 7.077 -11.277 -0.593 1.00 0.00 C ATOM 1160 CZ TYR A 75 7.583 -10.711 0.535 1.00 0.00 C ATOM 1161 OH TYR A 75 7.254 -11.255 1.738 1.00 0.00 O ATOM 0 H TYR A 75 10.033 -6.955 -2.761 1.00 0.00 H new ATOM 0 HA TYR A 75 10.655 -9.823 -3.263 1.00 0.00 H new ATOM 0 HB2 TYR A 75 8.200 -7.987 -3.337 1.00 0.00 H new ATOM 0 HB3 TYR A 75 8.168 -9.580 -4.066 1.00 0.00 H new ATOM 0 HD1 TYR A 75 9.402 -8.189 -0.799 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.038 -11.131 -2.778 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.784 -9.207 1.436 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.428 -12.139 -0.536 1.00 0.00 H new ATOM 0 HH TYR A 75 6.661 -12.023 1.599 1.00 0.00 H new ATOM 1171 N LYS A 76 10.659 -7.388 -5.326 1.00 0.00 N ATOM 1172 CA LYS A 76 10.911 -6.996 -6.702 1.00 0.00 C ATOM 1173 C LYS A 76 11.788 -5.742 -6.718 1.00 0.00 C ATOM 1174 O LYS A 76 11.773 -4.982 -7.685 1.00 0.00 O ATOM 1175 CB LYS A 76 9.594 -6.835 -7.464 1.00 0.00 C ATOM 1176 CG LYS A 76 9.427 -7.941 -8.508 1.00 0.00 C ATOM 1177 CD LYS A 76 8.684 -7.423 -9.741 1.00 0.00 C ATOM 1178 CE LYS A 76 7.971 -8.563 -10.471 1.00 0.00 C ATOM 1179 NZ LYS A 76 6.603 -8.154 -10.861 1.00 0.00 N ATOM 0 H LYS A 76 10.721 -6.628 -4.648 1.00 0.00 H new ATOM 0 HA LYS A 76 11.461 -7.778 -7.226 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.759 -6.861 -6.764 1.00 0.00 H new ATOM 0 HB3 LYS A 76 9.569 -5.861 -7.953 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.406 -8.320 -8.801 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.879 -8.777 -8.073 1.00 0.00 H new ATOM 0 HD2 LYS A 76 7.957 -6.668 -9.441 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.388 -6.938 -10.417 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.539 -8.846 -11.357 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.925 -9.442 -9.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.133 -8.939 -11.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.059 -7.906 -10.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.654 -7.329 -11.492 1.00 0.00 H new ATOM 1193 N ALA A 77 12.530 -5.564 -5.635 1.00 0.00 N ATOM 1194 CA ALA A 77 13.411 -4.415 -5.512 1.00 0.00 C ATOM 1195 C ALA A 77 14.636 -4.618 -6.407 1.00 0.00 C ATOM 1196 O ALA A 77 14.941 -3.775 -7.248 1.00 0.00 O ATOM 1197 CB ALA A 77 13.789 -4.216 -4.043 1.00 0.00 C ATOM 0 H ALA A 77 12.539 -6.196 -4.835 1.00 0.00 H new ATOM 0 HA ALA A 77 12.907 -3.508 -5.845 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.450 -3.354 -3.951 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.887 -4.046 -3.455 1.00 0.00 H new ATOM 0 HB3 ALA A 77 14.300 -5.106 -3.675 1.00 0.00 H new ATOM 1203 N SER A 78 15.303 -5.743 -6.195 1.00 0.00 N ATOM 1204 CA SER A 78 16.487 -6.068 -6.971 1.00 0.00 C ATOM 1205 C SER A 78 16.214 -5.845 -8.460 1.00 0.00 C ATOM 1206 O SER A 78 16.932 -5.096 -9.121 1.00 0.00 O ATOM 1207 CB SER A 78 16.929 -7.512 -6.723 1.00 0.00 C ATOM 1208 OG SER A 78 18.053 -7.584 -5.850 1.00 0.00 O ATOM 0 H SER A 78 15.046 -6.441 -5.497 1.00 0.00 H new ATOM 0 HA SER A 78 17.295 -5.409 -6.653 1.00 0.00 H new ATOM 0 HB2 SER A 78 16.101 -8.076 -6.295 1.00 0.00 H new ATOM 0 HB3 SER A 78 17.178 -7.983 -7.674 1.00 0.00 H new ATOM 0 HG SER A 78 18.303 -8.522 -5.716 1.00 0.00 H new ATOM 1214 N THR A 79 15.175 -6.509 -8.945 1.00 0.00 N ATOM 1215 CA THR A 79 14.798 -6.392 -10.343 1.00 0.00 C ATOM 1216 C THR A 79 14.558 -4.927 -10.710 1.00 0.00 C ATOM 1217 O THR A 79 14.817 -4.516 -11.840 1.00 0.00 O ATOM 1218 CB THR A 79 13.579 -7.286 -10.580 1.00 0.00 C ATOM 1219 OG1 THR A 79 12.651 -6.880 -9.578 1.00 0.00 O ATOM 1220 CG2 THR A 79 13.858 -8.755 -10.257 1.00 0.00 C ATOM 0 H THR A 79 14.582 -7.130 -8.394 1.00 0.00 H new ATOM 0 HA THR A 79 15.600 -6.731 -10.999 1.00 0.00 H new ATOM 0 HB THR A 79 13.261 -7.198 -11.619 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.737 -7.009 -9.907 1.00 0.00 H new ATOM 0 HG21 THR A 79 12.961 -9.345 -10.442 1.00 0.00 H new ATOM 0 HG22 THR A 79 14.668 -9.119 -10.889 1.00 0.00 H new ATOM 0 HG23 THR A 79 14.144 -8.849 -9.209 1.00 0.00 H new ATOM 1228 N SER A 80 14.066 -4.178 -9.734 1.00 0.00 N ATOM 1229 CA SER A 80 13.788 -2.767 -9.940 1.00 0.00 C ATOM 1230 C SER A 80 15.058 -2.044 -10.393 1.00 0.00 C ATOM 1231 O SER A 80 15.124 -1.540 -11.513 1.00 0.00 O ATOM 1232 CB SER A 80 13.235 -2.123 -8.667 1.00 0.00 C ATOM 1233 OG SER A 80 12.326 -1.064 -8.956 1.00 0.00 O ATOM 0 H SER A 80 13.853 -4.522 -8.798 1.00 0.00 H new ATOM 0 HA SER A 80 13.030 -2.678 -10.718 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.730 -2.880 -8.067 1.00 0.00 H new ATOM 0 HB3 SER A 80 14.060 -1.739 -8.067 1.00 0.00 H new ATOM 0 HG SER A 80 12.361 -0.398 -8.238 1.00 0.00 H new ATOM 1239 N LEU A 81 16.035 -2.016 -9.499 1.00 0.00 N ATOM 1240 CA LEU A 81 17.300 -1.364 -9.792 1.00 0.00 C ATOM 1241 C LEU A 81 17.760 -1.760 -11.197 1.00 0.00 C ATOM 1242 O LEU A 81 17.857 -0.914 -12.084 1.00 0.00 O ATOM 1243 CB LEU A 81 18.326 -1.669 -8.700 1.00 0.00 C ATOM 1244 CG LEU A 81 18.927 -0.456 -7.986 1.00 0.00 C ATOM 1245 CD1 LEU A 81 19.406 -0.828 -6.582 1.00 0.00 C ATOM 1246 CD2 LEU A 81 20.040 0.177 -8.823 1.00 0.00 C ATOM 0 H LEU A 81 15.976 -2.435 -8.571 1.00 0.00 H new ATOM 0 HA LEU A 81 17.179 -0.281 -9.789 1.00 0.00 H new ATOM 0 HB2 LEU A 81 17.854 -2.308 -7.954 1.00 0.00 H new ATOM 0 HB3 LEU A 81 19.139 -2.244 -9.143 1.00 0.00 H new ATOM 0 HG LEU A 81 18.145 0.295 -7.871 1.00 0.00 H new ATOM 0 HD11 LEU A 81 19.829 0.052 -6.097 1.00 0.00 H new ATOM 0 HD12 LEU A 81 18.564 -1.196 -5.996 1.00 0.00 H new ATOM 0 HD13 LEU A 81 20.167 -1.605 -6.651 1.00 0.00 H new ATOM 0 HD21 LEU A 81 20.450 1.037 -8.293 1.00 0.00 H new ATOM 0 HD22 LEU A 81 20.829 -0.555 -8.992 1.00 0.00 H new ATOM 0 HD23 LEU A 81 19.635 0.501 -9.781 1.00 0.00 H new ATOM 1258 N GLN A 82 18.030 -3.048 -11.355 1.00 0.00 N ATOM 1259 CA GLN A 82 18.477 -3.567 -12.636 1.00 0.00 C ATOM 1260 C GLN A 82 17.715 -2.891 -13.778 1.00 0.00 C ATOM 1261 O GLN A 82 18.307 -2.179 -14.588 1.00 0.00 O ATOM 1262 CB GLN A 82 18.320 -5.087 -12.697 1.00 0.00 C ATOM 1263 CG GLN A 82 19.628 -5.757 -13.120 1.00 0.00 C ATOM 1264 CD GLN A 82 19.443 -7.267 -13.284 1.00 0.00 C ATOM 1265 OE1 GLN A 82 19.448 -7.804 -14.380 1.00 0.00 O ATOM 1266 NE2 GLN A 82 19.280 -7.920 -12.137 1.00 0.00 N ATOM 0 H GLN A 82 17.948 -3.747 -10.617 1.00 0.00 H new ATOM 0 HA GLN A 82 19.537 -3.340 -12.748 1.00 0.00 H new ATOM 0 HB2 GLN A 82 18.013 -5.464 -11.721 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.530 -5.347 -13.402 1.00 0.00 H new ATOM 0 HG2 GLN A 82 19.975 -5.325 -14.059 1.00 0.00 H new ATOM 0 HG3 GLN A 82 20.399 -5.560 -12.375 1.00 0.00 H new ATOM 0 HE21 GLN A 82 19.286 -7.409 -11.254 1.00 0.00 H new ATOM 0 HE22 GLN A 82 19.149 -8.932 -12.140 1.00 0.00 H new ATOM 1275 N ASP A 83 16.414 -3.137 -13.805 1.00 0.00 N ATOM 1276 CA ASP A 83 15.565 -2.561 -14.834 1.00 0.00 C ATOM 1277 C ASP A 83 15.986 -1.112 -15.085 1.00 0.00 C ATOM 1278 O ASP A 83 16.308 -0.741 -16.213 1.00 0.00 O ATOM 1279 CB ASP A 83 14.098 -2.558 -14.400 1.00 0.00 C ATOM 1280 CG ASP A 83 13.110 -3.061 -15.455 1.00 0.00 C ATOM 1281 OD1 ASP A 83 13.582 -3.380 -16.567 1.00 0.00 O ATOM 1282 OD2 ASP A 83 11.905 -3.113 -15.125 1.00 0.00 O ATOM 0 H ASP A 83 15.927 -3.727 -13.131 1.00 0.00 H new ATOM 0 HA ASP A 83 15.673 -3.163 -15.736 1.00 0.00 H new ATOM 0 HB2 ASP A 83 13.998 -3.175 -13.507 1.00 0.00 H new ATOM 0 HB3 ASP A 83 13.820 -1.542 -14.119 1.00 0.00 H new ATOM 1287 N SER A 84 15.970 -0.331 -14.015 1.00 0.00 N ATOM 1288 CA SER A 84 16.347 1.070 -14.104 1.00 0.00 C ATOM 1289 C SER A 84 17.732 1.199 -14.740 1.00 0.00 C ATOM 1290 O SER A 84 17.920 1.977 -15.675 1.00 0.00 O ATOM 1291 CB SER A 84 16.332 1.734 -12.726 1.00 0.00 C ATOM 1292 OG SER A 84 16.414 3.153 -12.816 1.00 0.00 O ATOM 0 H SER A 84 15.702 -0.642 -13.081 1.00 0.00 H new ATOM 0 HA SER A 84 15.617 1.581 -14.731 1.00 0.00 H new ATOM 0 HB2 SER A 84 15.419 1.456 -12.200 1.00 0.00 H new ATOM 0 HB3 SER A 84 17.167 1.360 -12.134 1.00 0.00 H new ATOM 0 HG SER A 84 16.400 3.539 -11.915 1.00 0.00 H new ATOM 1298 N GLY A 85 18.667 0.426 -14.209 1.00 0.00 N ATOM 1299 CA GLY A 85 20.030 0.444 -14.713 1.00 0.00 C ATOM 1300 C GLY A 85 20.878 -0.638 -14.041 1.00 0.00 C ATOM 1301 O GLY A 85 21.017 -0.652 -12.819 1.00 0.00 O ATOM 0 H GLY A 85 18.508 -0.218 -13.434 1.00 0.00 H new ATOM 0 HA2 GLY A 85 20.025 0.289 -15.792 1.00 0.00 H new ATOM 0 HA3 GLY A 85 20.475 1.423 -14.534 1.00 0.00 H new ATOM 1305 N PRO A 86 21.437 -1.540 -14.891 1.00 0.00 N ATOM 1306 CA PRO A 86 22.268 -2.623 -14.392 1.00 0.00 C ATOM 1307 C PRO A 86 23.647 -2.109 -13.976 1.00 0.00 C ATOM 1308 O PRO A 86 24.042 -1.006 -14.352 1.00 0.00 O ATOM 1309 CB PRO A 86 22.327 -3.629 -15.530 1.00 0.00 C ATOM 1310 CG PRO A 86 21.919 -2.868 -16.781 1.00 0.00 C ATOM 1311 CD PRO A 86 21.294 -1.554 -16.344 1.00 0.00 C ATOM 0 HA PRO A 86 21.863 -3.084 -13.491 1.00 0.00 H new ATOM 0 HB2 PRO A 86 23.330 -4.042 -15.634 1.00 0.00 H new ATOM 0 HB3 PRO A 86 21.655 -4.467 -15.346 1.00 0.00 H new ATOM 0 HG2 PRO A 86 22.786 -2.686 -17.417 1.00 0.00 H new ATOM 0 HG3 PRO A 86 21.210 -3.451 -17.368 1.00 0.00 H new ATOM 0 HD2 PRO A 86 21.801 -0.704 -16.800 1.00 0.00 H new ATOM 0 HD3 PRO A 86 20.246 -1.496 -16.639 1.00 0.00 H new ATOM 1319 N SER A 87 24.342 -2.933 -13.205 1.00 0.00 N ATOM 1320 CA SER A 87 25.670 -2.575 -12.734 1.00 0.00 C ATOM 1321 C SER A 87 25.605 -1.280 -11.921 1.00 0.00 C ATOM 1322 O SER A 87 25.580 -0.188 -12.486 1.00 0.00 O ATOM 1323 CB SER A 87 26.646 -2.420 -13.902 1.00 0.00 C ATOM 1324 OG SER A 87 27.766 -3.291 -13.780 1.00 0.00 O ATOM 0 H SER A 87 24.011 -3.847 -12.895 1.00 0.00 H new ATOM 0 HA SER A 87 26.035 -3.380 -12.096 1.00 0.00 H new ATOM 0 HB2 SER A 87 26.127 -2.626 -14.838 1.00 0.00 H new ATOM 0 HB3 SER A 87 26.993 -1.388 -13.950 1.00 0.00 H new ATOM 0 HG SER A 87 28.365 -3.163 -14.545 1.00 0.00 H new ATOM 1330 N SER A 88 25.580 -1.446 -10.606 1.00 0.00 N ATOM 1331 CA SER A 88 25.518 -0.304 -9.710 1.00 0.00 C ATOM 1332 C SER A 88 26.559 -0.454 -8.599 1.00 0.00 C ATOM 1333 O SER A 88 27.419 0.408 -8.428 1.00 0.00 O ATOM 1334 CB SER A 88 24.119 -0.150 -9.109 1.00 0.00 C ATOM 1335 OG SER A 88 23.682 -1.341 -8.462 1.00 0.00 O ATOM 0 H SER A 88 25.602 -2.353 -10.140 1.00 0.00 H new ATOM 0 HA SER A 88 25.737 0.595 -10.286 1.00 0.00 H new ATOM 0 HB2 SER A 88 24.121 0.672 -8.393 1.00 0.00 H new ATOM 0 HB3 SER A 88 23.413 0.115 -9.896 1.00 0.00 H new ATOM 0 HG SER A 88 22.786 -1.201 -8.090 1.00 0.00 H new ATOM 1341 N GLY A 89 26.447 -1.556 -7.872 1.00 0.00 N ATOM 1342 CA GLY A 89 27.368 -1.831 -6.782 1.00 0.00 C ATOM 1343 C GLY A 89 26.837 -1.270 -5.461 1.00 0.00 C ATOM 1344 O GLY A 89 27.494 -0.449 -4.822 1.00 0.00 O ATOM 0 H GLY A 89 25.732 -2.269 -8.016 1.00 0.00 H new ATOM 0 HA2 GLY A 89 27.518 -2.907 -6.690 1.00 0.00 H new ATOM 0 HA3 GLY A 89 28.341 -1.391 -7.003 1.00 0.00 H new TER 1348 GLY A 89