USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 723 hydrogens (15 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: B 4 MCL H2 : B 4 MCL N : B 3 PHE C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0745 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.0116 K(o=-0.012,f=-0.83) USER MOD Single : A 5 ASN : amide:sc= -0.894 X(o=-0.89,f=-0.46) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0488 USER MOD Single : A 17 LYS NZ :NH3+ 161:sc= -0.124 (180deg=-0.652) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -122:sc= -0.0128 (180deg=-0.037) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -122:sc= -0.437 (180deg=-2.01!) USER MOD Single : A 34 ASN :FLIP amide:sc= 0.0794 F(o=-1.6,f=0.079) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.249 X(o=-0.25,f=0) USER MOD Single : A 54 SER OG : rot -170:sc= -0.845 USER MOD Single : A 61 ASN : amide:sc= -1.72 K(o=-1.7,f=-11!) USER MOD Single : A 63 SER OG : rot 150:sc= -1.06 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -0.311 X(o=-0.31,f=-0.008) USER MOD Single : A 82 MET CE :methyl -149:sc= -0.207 (180deg=-2.52!) USER MOD Single : A 83 ASN : amide:sc= -0.0219 X(o=-0.022,f=-0.31) USER MOD Single : A 85 ASN : amide:sc=-0.00448 X(o=-0.0045,f=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -130:sc= -0.0697 USER MOD Single : A 90 LYS NZ :NH3+ -177:sc= -0.873 (180deg=-0.894) USER MOD Single : A 91 SER OG : rot 130:sc= -2.19 USER MOD Single : A 92 ASN : amide:sc= -7.22! C(o=-7.2!,f=-8.4!) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.331 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.641 K(o=-0.64,f=-1.5!) USER MOD Single : A 103 LYS NZ :NH3+ -164:sc= 0.0834 (180deg=0.0384) USER MOD Single : B 1 ASP N :NH3+ -171:sc= 0 (180deg=-0.0953) USER MOD Single : B 4 MCL O1 : rot 180:sc=-0.000855 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.935 -0.661 9.993 1.00 2.53 N ATOM 2 CA GLY A 1 10.725 -0.324 8.597 1.00 4.14 C ATOM 3 C GLY A 1 11.535 -1.198 7.660 1.00 64.21 C ATOM 4 O GLY A 1 12.272 -2.077 8.105 1.00 40.32 O ATOM 0 H1 GLY A 1 10.016 -0.745 10.472 1.00 2.53 H new ATOM 0 H2 GLY A 1 11.444 -1.566 10.059 1.00 2.53 H new ATOM 0 H3 GLY A 1 11.496 0.086 10.450 1.00 2.53 H new ATOM 0 HA2 GLY A 1 9.666 -0.424 8.358 1.00 4.14 H new ATOM 0 HA3 GLY A 1 10.991 0.721 8.435 1.00 4.14 H new ATOM 8 N SER A 2 11.396 -0.957 6.360 1.00 13.32 N ATOM 9 CA SER A 2 12.116 -1.734 5.359 1.00 52.11 C ATOM 10 C SER A 2 11.686 -3.198 5.392 1.00 73.04 C ATOM 11 O SER A 2 12.012 -3.931 6.324 1.00 22.05 O ATOM 12 CB SER A 2 13.625 -1.629 5.590 1.00 10.52 C ATOM 13 OG SER A 2 14.345 -1.933 4.407 1.00 31.15 O ATOM 0 H SER A 2 10.792 -0.230 5.976 1.00 13.32 H new ATOM 0 HA SER A 2 11.876 -1.326 4.377 1.00 52.11 H new ATOM 0 HB2 SER A 2 13.876 -0.622 5.923 1.00 10.52 H new ATOM 0 HB3 SER A 2 13.923 -2.312 6.386 1.00 10.52 H new ATOM 0 HG SER A 2 15.307 -1.857 4.581 1.00 31.15 H new ATOM 18 N ALA A 3 10.951 -3.615 4.365 1.00 31.54 N ATOM 19 CA ALA A 3 10.477 -4.990 4.275 1.00 0.13 C ATOM 20 C ALA A 3 9.768 -5.412 5.558 1.00 3.31 C ATOM 21 O ALA A 3 10.214 -6.325 6.252 1.00 44.24 O ATOM 22 CB ALA A 3 11.636 -5.929 3.977 1.00 43.24 C ATOM 0 H ALA A 3 10.672 -3.020 3.585 1.00 31.54 H new ATOM 0 HA ALA A 3 9.758 -5.047 3.458 1.00 0.13 H new ATOM 0 HB1 ALA A 3 11.267 -6.953 3.913 1.00 43.24 H new ATOM 0 HB2 ALA A 3 12.097 -5.649 3.030 1.00 43.24 H new ATOM 0 HB3 ALA A 3 12.375 -5.859 4.775 1.00 43.24 H new ATOM 28 N GLN A 4 8.664 -4.739 5.867 1.00 54.00 N ATOM 29 CA GLN A 4 7.895 -5.045 7.069 1.00 55.42 C ATOM 30 C GLN A 4 6.783 -6.042 6.764 1.00 53.23 C ATOM 31 O GLN A 4 6.047 -5.887 5.790 1.00 12.22 O ATOM 32 CB GLN A 4 7.302 -3.764 7.658 1.00 0.42 C ATOM 33 CG GLN A 4 7.430 -3.675 9.171 1.00 3.54 C ATOM 34 CD GLN A 4 6.308 -4.391 9.896 1.00 61.23 C ATOM 35 OE1 GLN A 4 6.362 -5.602 10.106 1.00 44.41 O ATOM 36 NE2 GLN A 4 5.280 -3.644 10.281 1.00 72.34 N ATOM 0 H GLN A 4 8.282 -3.980 5.303 1.00 54.00 H new ATOM 0 HA GLN A 4 8.569 -5.494 7.798 1.00 55.42 H new ATOM 0 HB2 GLN A 4 7.798 -2.904 7.208 1.00 0.42 H new ATOM 0 HB3 GLN A 4 6.248 -3.703 7.386 1.00 0.42 H new ATOM 0 HG2 GLN A 4 8.385 -4.102 9.476 1.00 3.54 H new ATOM 0 HG3 GLN A 4 7.439 -2.627 9.470 1.00 3.54 H new ATOM 0 HE21 GLN A 4 5.276 -2.643 10.086 1.00 72.34 H new ATOM 0 HE22 GLN A 4 4.494 -4.071 10.771 1.00 72.34 H new ATOM 43 N ASN A 5 6.667 -7.065 7.604 1.00 43.32 N ATOM 44 CA ASN A 5 5.644 -8.089 7.423 1.00 54.32 C ATOM 45 C ASN A 5 4.337 -7.676 8.094 1.00 45.31 C ATOM 46 O ASN A 5 4.294 -7.445 9.302 1.00 73.42 O ATOM 47 CB ASN A 5 6.123 -9.425 7.994 1.00 2.10 C ATOM 48 CG ASN A 5 6.539 -9.317 9.448 1.00 24.41 C ATOM 49 OD1 ASN A 5 5.737 -9.548 10.353 1.00 40.13 O ATOM 50 ND2 ASN A 5 7.797 -8.962 9.679 1.00 35.23 N ATOM 0 H ASN A 5 7.268 -7.207 8.416 1.00 43.32 H new ATOM 0 HA ASN A 5 5.464 -8.202 6.354 1.00 54.32 H new ATOM 0 HB2 ASN A 5 5.326 -10.163 7.901 1.00 2.10 H new ATOM 0 HB3 ASN A 5 6.965 -9.788 7.404 1.00 2.10 H new ATOM 0 HD21 ASN A 5 8.133 -8.871 10.638 1.00 35.23 H new ATOM 0 HD22 ASN A 5 8.427 -8.780 8.898 1.00 35.23 H new ATOM 56 N ILE A 6 3.273 -7.588 7.301 1.00 14.24 N ATOM 57 CA ILE A 6 1.967 -7.205 7.819 1.00 60.43 C ATOM 58 C ILE A 6 0.908 -8.242 7.458 1.00 73.42 C ATOM 59 O ILE A 6 0.691 -8.543 6.283 1.00 53.30 O ATOM 60 CB ILE A 6 1.527 -5.831 7.279 1.00 62.10 C ATOM 61 CG1 ILE A 6 2.350 -4.717 7.929 1.00 20.54 C ATOM 62 CG2 ILE A 6 0.042 -5.613 7.526 1.00 5.44 C ATOM 63 CD1 ILE A 6 3.669 -4.457 7.237 1.00 1.35 C ATOM 0 H ILE A 6 3.291 -7.777 6.299 1.00 14.24 H new ATOM 0 HA ILE A 6 2.062 -7.147 8.903 1.00 60.43 H new ATOM 0 HB ILE A 6 1.702 -5.807 6.203 1.00 62.10 H new ATOM 0 HG12 ILE A 6 1.764 -3.798 7.932 1.00 20.54 H new ATOM 0 HG13 ILE A 6 2.540 -4.978 8.970 1.00 20.54 H new ATOM 0 HG21 ILE A 6 -0.252 -4.638 7.138 1.00 5.44 H new ATOM 0 HG22 ILE A 6 -0.529 -6.392 7.020 1.00 5.44 H new ATOM 0 HG23 ILE A 6 -0.159 -5.653 8.597 1.00 5.44 H new ATOM 0 HD11 ILE A 6 4.198 -3.655 7.752 1.00 1.35 H new ATOM 0 HD12 ILE A 6 4.275 -5.363 7.257 1.00 1.35 H new ATOM 0 HD13 ILE A 6 3.486 -4.165 6.203 1.00 1.35 H new ATOM 74 N THR A 7 0.246 -8.784 8.475 1.00 12.42 N ATOM 75 CA THR A 7 -0.791 -9.787 8.267 1.00 52.42 C ATOM 76 C THR A 7 -2.175 -9.149 8.250 1.00 2.52 C ATOM 77 O THR A 7 -2.451 -8.220 9.008 1.00 73.15 O ATOM 78 CB THR A 7 -0.751 -10.872 9.360 1.00 54.14 C ATOM 79 OG1 THR A 7 -0.289 -10.309 10.593 1.00 51.21 O ATOM 80 CG2 THR A 7 0.159 -12.020 8.949 1.00 64.23 C ATOM 0 H THR A 7 0.410 -8.545 9.453 1.00 12.42 H new ATOM 0 HA THR A 7 -0.595 -10.250 7.300 1.00 52.42 H new ATOM 0 HB THR A 7 -1.761 -11.259 9.494 1.00 54.14 H new ATOM 0 HG1 THR A 7 -0.268 -11.005 11.283 1.00 51.21 H new ATOM 0 HG21 THR A 7 0.172 -12.774 9.736 1.00 64.23 H new ATOM 0 HG22 THR A 7 -0.212 -12.465 8.026 1.00 64.23 H new ATOM 0 HG23 THR A 7 1.170 -11.644 8.790 1.00 64.23 H new ATOM 88 N ALA A 8 -3.043 -9.655 7.380 1.00 44.40 N ATOM 89 CA ALA A 8 -4.401 -9.137 7.266 1.00 2.13 C ATOM 90 C ALA A 8 -5.385 -10.248 6.915 1.00 31.24 C ATOM 91 O ALA A 8 -4.984 -11.340 6.511 1.00 11.04 O ATOM 92 CB ALA A 8 -4.458 -8.030 6.225 1.00 63.45 C ATOM 0 H ALA A 8 -2.830 -10.423 6.744 1.00 44.40 H new ATOM 0 HA ALA A 8 -4.689 -8.725 8.233 1.00 2.13 H new ATOM 0 HB1 ALA A 8 -5.478 -7.653 6.151 1.00 63.45 H new ATOM 0 HB2 ALA A 8 -3.792 -7.219 6.519 1.00 63.45 H new ATOM 0 HB3 ALA A 8 -4.145 -8.424 5.258 1.00 63.45 H new ATOM 98 N ARG A 9 -6.673 -9.963 7.073 1.00 72.23 N ATOM 99 CA ARG A 9 -7.714 -10.939 6.774 1.00 74.30 C ATOM 100 C ARG A 9 -8.658 -10.413 5.697 1.00 62.54 C ATOM 101 O ARG A 9 -8.897 -9.210 5.599 1.00 21.32 O ATOM 102 CB ARG A 9 -8.504 -11.277 8.039 1.00 21.41 C ATOM 103 CG ARG A 9 -8.045 -12.555 8.721 1.00 71.43 C ATOM 104 CD ARG A 9 -7.409 -12.269 10.072 1.00 63.31 C ATOM 105 NE ARG A 9 -8.292 -12.625 11.180 1.00 50.43 N ATOM 106 CZ ARG A 9 -8.007 -12.381 12.454 1.00 51.01 C ATOM 107 NH1 ARG A 9 -6.870 -11.783 12.780 1.00 31.44 N ATOM 108 NH2 ARG A 9 -8.862 -12.735 13.405 1.00 3.24 N ATOM 0 H ARG A 9 -7.021 -9.064 7.406 1.00 72.23 H new ATOM 0 HA ARG A 9 -7.233 -11.844 6.402 1.00 74.30 H new ATOM 0 HB2 ARG A 9 -8.418 -10.449 8.743 1.00 21.41 H new ATOM 0 HB3 ARG A 9 -9.560 -11.370 7.784 1.00 21.41 H new ATOM 0 HG2 ARG A 9 -8.895 -13.224 8.853 1.00 71.43 H new ATOM 0 HG3 ARG A 9 -7.329 -13.072 8.083 1.00 71.43 H new ATOM 0 HD2 ARG A 9 -6.476 -12.826 10.159 1.00 63.31 H new ATOM 0 HD3 ARG A 9 -7.155 -11.211 10.136 1.00 63.31 H new ATOM 0 HE ARG A 9 -9.176 -13.086 10.963 1.00 50.43 H new ATOM 0 HH11 ARG A 9 -6.211 -11.509 12.051 1.00 31.44 H new ATOM 0 HH12 ARG A 9 -6.654 -11.597 13.759 1.00 31.44 H new ATOM 0 HH21 ARG A 9 -9.738 -13.195 13.158 1.00 3.24 H new ATOM 0 HH22 ARG A 9 -8.643 -12.548 14.383 1.00 3.24 H new ATOM 119 N ILE A 10 -9.191 -11.325 4.890 1.00 64.43 N ATOM 120 CA ILE A 10 -10.110 -10.953 3.820 1.00 43.34 C ATOM 121 C ILE A 10 -11.322 -10.208 4.370 1.00 63.33 C ATOM 122 O ILE A 10 -12.049 -10.724 5.217 1.00 64.23 O ATOM 123 CB ILE A 10 -10.592 -12.189 3.037 1.00 14.22 C ATOM 124 CG1 ILE A 10 -9.407 -12.895 2.375 1.00 14.32 C ATOM 125 CG2 ILE A 10 -11.625 -11.785 1.996 1.00 44.15 C ATOM 126 CD1 ILE A 10 -9.611 -14.384 2.201 1.00 22.31 C ATOM 0 H ILE A 10 -9.003 -12.325 4.956 1.00 64.43 H new ATOM 0 HA ILE A 10 -9.560 -10.297 3.145 1.00 43.34 H new ATOM 0 HB ILE A 10 -11.060 -12.884 3.734 1.00 14.22 H new ATOM 0 HG12 ILE A 10 -9.225 -12.445 1.399 1.00 14.32 H new ATOM 0 HG13 ILE A 10 -8.513 -12.727 2.975 1.00 14.32 H new ATOM 0 HG21 ILE A 10 -11.957 -12.668 1.450 1.00 44.15 H new ATOM 0 HG22 ILE A 10 -12.479 -11.323 2.491 1.00 44.15 H new ATOM 0 HG23 ILE A 10 -11.181 -11.074 1.299 1.00 44.15 H new ATOM 0 HD11 ILE A 10 -8.732 -14.819 1.726 1.00 22.31 H new ATOM 0 HD12 ILE A 10 -9.763 -14.847 3.176 1.00 22.31 H new ATOM 0 HD13 ILE A 10 -10.486 -14.561 1.576 1.00 22.31 H new ATOM 137 N GLY A 11 -11.534 -8.990 3.879 1.00 22.12 N ATOM 138 CA GLY A 11 -12.660 -8.195 4.332 1.00 51.54 C ATOM 139 C GLY A 11 -12.329 -7.364 5.555 1.00 12.04 C ATOM 140 O GLY A 11 -13.197 -6.692 6.112 1.00 1.31 O ATOM 0 H GLY A 11 -10.947 -8.541 3.177 1.00 22.12 H new ATOM 0 HA2 GLY A 11 -12.983 -7.536 3.526 1.00 51.54 H new ATOM 0 HA3 GLY A 11 -13.498 -8.854 4.560 1.00 51.54 H new ATOM 144 N GLU A 12 -11.068 -7.409 5.976 1.00 60.32 N ATOM 145 CA GLU A 12 -10.626 -6.654 7.143 1.00 40.43 C ATOM 146 C GLU A 12 -9.892 -5.384 6.723 1.00 34.01 C ATOM 147 O GLU A 12 -9.116 -5.371 5.767 1.00 31.42 O ATOM 148 CB GLU A 12 -9.715 -7.517 8.019 1.00 53.24 C ATOM 149 CG GLU A 12 -10.396 -8.759 8.570 1.00 71.35 C ATOM 150 CD GLU A 12 -11.791 -8.473 9.092 1.00 43.22 C ATOM 151 OE1 GLU A 12 -11.922 -7.628 10.002 1.00 41.44 O ATOM 152 OE2 GLU A 12 -12.750 -9.098 8.593 1.00 34.00 O ATOM 0 H GLU A 12 -10.336 -7.959 5.527 1.00 60.32 H new ATOM 0 HA GLU A 12 -11.508 -6.370 7.717 1.00 40.43 H new ATOM 0 HB2 GLU A 12 -8.845 -7.819 7.436 1.00 53.24 H new ATOM 0 HB3 GLU A 12 -9.349 -6.915 8.851 1.00 53.24 H new ATOM 0 HG2 GLU A 12 -10.452 -9.516 7.788 1.00 71.35 H new ATOM 0 HG3 GLU A 12 -9.789 -9.176 9.374 1.00 71.35 H new ATOM 157 N PRO A 13 -10.142 -4.288 7.456 1.00 0.42 N ATOM 158 CA PRO A 13 -9.516 -2.992 7.180 1.00 73.11 C ATOM 159 C PRO A 13 -8.025 -2.987 7.502 1.00 63.01 C ATOM 160 O PRO A 13 -7.591 -3.580 8.490 1.00 44.34 O ATOM 161 CB PRO A 13 -10.266 -2.032 8.106 1.00 71.41 C ATOM 162 CG PRO A 13 -10.761 -2.888 9.220 1.00 41.35 C ATOM 163 CD PRO A 13 -11.054 -4.231 8.611 1.00 4.31 C ATOM 0 HA PRO A 13 -9.579 -2.726 6.125 1.00 73.11 H new ATOM 0 HB2 PRO A 13 -9.610 -1.244 8.474 1.00 71.41 H new ATOM 0 HB3 PRO A 13 -11.090 -1.544 7.586 1.00 71.41 H new ATOM 0 HG2 PRO A 13 -10.014 -2.972 10.009 1.00 41.35 H new ATOM 0 HG3 PRO A 13 -11.656 -2.461 9.672 1.00 41.35 H new ATOM 0 HD2 PRO A 13 -10.863 -5.041 9.314 1.00 4.31 H new ATOM 0 HD3 PRO A 13 -12.097 -4.314 8.304 1.00 4.31 H new ATOM 168 N LEU A 14 -7.245 -2.315 6.663 1.00 31.33 N ATOM 169 CA LEU A 14 -5.803 -2.231 6.859 1.00 11.41 C ATOM 170 C LEU A 14 -5.271 -0.868 6.430 1.00 35.31 C ATOM 171 O LEU A 14 -5.726 -0.297 5.439 1.00 73.34 O ATOM 172 CB LEU A 14 -5.097 -3.337 6.073 1.00 61.14 C ATOM 173 CG LEU A 14 -3.616 -3.549 6.392 1.00 12.12 C ATOM 174 CD1 LEU A 14 -3.452 -4.178 7.767 1.00 71.04 C ATOM 175 CD2 LEU A 14 -2.958 -4.412 5.325 1.00 70.25 C ATOM 0 H LEU A 14 -7.588 -1.820 5.840 1.00 31.33 H new ATOM 0 HA LEU A 14 -5.599 -2.360 7.922 1.00 11.41 H new ATOM 0 HB2 LEU A 14 -5.624 -4.274 6.251 1.00 61.14 H new ATOM 0 HB3 LEU A 14 -5.191 -3.116 5.010 1.00 61.14 H new ATOM 0 HG LEU A 14 -3.122 -2.577 6.398 1.00 12.12 H new ATOM 0 HD11 LEU A 14 -2.392 -4.322 7.977 1.00 71.04 H new ATOM 0 HD12 LEU A 14 -3.886 -3.522 8.521 1.00 71.04 H new ATOM 0 HD13 LEU A 14 -3.960 -5.142 7.789 1.00 71.04 H new ATOM 0 HD21 LEU A 14 -1.905 -4.552 5.569 1.00 70.25 H new ATOM 0 HD22 LEU A 14 -3.453 -5.382 5.285 1.00 70.25 H new ATOM 0 HD23 LEU A 14 -3.044 -3.921 4.356 1.00 70.25 H new ATOM 186 N VAL A 15 -4.303 -0.351 7.182 1.00 62.51 N ATOM 187 CA VAL A 15 -3.708 0.944 6.877 1.00 22.43 C ATOM 188 C VAL A 15 -2.201 0.824 6.689 1.00 35.24 C ATOM 189 O VAL A 15 -1.551 -0.017 7.310 1.00 5.31 O ATOM 190 CB VAL A 15 -3.997 1.970 7.989 1.00 31.31 C ATOM 191 CG1 VAL A 15 -3.425 3.331 7.621 1.00 21.53 C ATOM 192 CG2 VAL A 15 -5.492 2.064 8.253 1.00 25.10 C ATOM 0 H VAL A 15 -3.915 -0.810 8.006 1.00 62.51 H new ATOM 0 HA VAL A 15 -4.160 1.291 5.948 1.00 22.43 H new ATOM 0 HB VAL A 15 -3.511 1.634 8.905 1.00 31.31 H new ATOM 0 HG11 VAL A 15 -3.639 4.043 8.418 1.00 21.53 H new ATOM 0 HG12 VAL A 15 -2.346 3.248 7.488 1.00 21.53 H new ATOM 0 HG13 VAL A 15 -3.880 3.678 6.693 1.00 21.53 H new ATOM 0 HG21 VAL A 15 -5.677 2.794 9.041 1.00 25.10 H new ATOM 0 HG22 VAL A 15 -6.003 2.376 7.342 1.00 25.10 H new ATOM 0 HG23 VAL A 15 -5.868 1.090 8.565 1.00 25.10 H new ATOM 202 N LEU A 16 -1.648 1.674 5.830 1.00 72.51 N ATOM 203 CA LEU A 16 -0.214 1.665 5.560 1.00 2.11 C ATOM 204 C LEU A 16 0.368 3.071 5.664 1.00 13.40 C ATOM 205 O LEU A 16 -0.302 4.056 5.362 1.00 34.33 O ATOM 206 CB LEU A 16 0.060 1.089 4.170 1.00 74.43 C ATOM 207 CG LEU A 16 -0.412 -0.346 3.932 1.00 12.13 C ATOM 208 CD1 LEU A 16 -0.618 -0.602 2.448 1.00 64.53 C ATOM 209 CD2 LEU A 16 0.588 -1.337 4.512 1.00 65.30 C ATOM 0 H LEU A 16 -2.171 2.378 5.309 1.00 72.51 H new ATOM 0 HA LEU A 16 0.268 1.036 6.308 1.00 2.11 H new ATOM 0 HB2 LEU A 16 -0.416 1.734 3.431 1.00 74.43 H new ATOM 0 HB3 LEU A 16 1.134 1.132 3.986 1.00 74.43 H new ATOM 0 HG LEU A 16 -1.367 -0.483 4.438 1.00 12.13 H new ATOM 0 HD11 LEU A 16 -0.954 -1.628 2.299 1.00 64.53 H new ATOM 0 HD12 LEU A 16 -1.370 0.086 2.061 1.00 64.53 H new ATOM 0 HD13 LEU A 16 0.322 -0.447 1.918 1.00 64.53 H new ATOM 0 HD21 LEU A 16 0.237 -2.354 4.334 1.00 65.30 H new ATOM 0 HD22 LEU A 16 1.557 -1.198 4.033 1.00 65.30 H new ATOM 0 HD23 LEU A 16 0.686 -1.169 5.585 1.00 65.30 H new ATOM 220 N LYS A 17 1.623 3.155 6.093 1.00 11.14 N ATOM 221 CA LYS A 17 2.299 4.439 6.236 1.00 73.43 C ATOM 222 C LYS A 17 3.428 4.575 5.219 1.00 35.41 C ATOM 223 O LYS A 17 4.038 3.584 4.818 1.00 53.15 O ATOM 224 CB LYS A 17 2.855 4.593 7.654 1.00 21.52 C ATOM 225 CG LYS A 17 2.583 5.954 8.269 1.00 21.31 C ATOM 226 CD LYS A 17 1.153 6.064 8.772 1.00 72.53 C ATOM 227 CE LYS A 17 0.908 5.146 9.959 1.00 43.21 C ATOM 228 NZ LYS A 17 1.902 5.365 11.045 1.00 42.44 N ATOM 0 H LYS A 17 2.193 2.348 6.348 1.00 11.14 H new ATOM 0 HA LYS A 17 1.569 5.227 6.052 1.00 73.43 H new ATOM 0 HB2 LYS A 17 2.421 3.822 8.291 1.00 21.52 H new ATOM 0 HB3 LYS A 17 3.931 4.421 7.634 1.00 21.52 H new ATOM 0 HG2 LYS A 17 3.274 6.126 9.094 1.00 21.31 H new ATOM 0 HG3 LYS A 17 2.770 6.732 7.529 1.00 21.31 H new ATOM 0 HD2 LYS A 17 0.945 7.095 9.059 1.00 72.53 H new ATOM 0 HD3 LYS A 17 0.463 5.812 7.967 1.00 72.53 H new ATOM 0 HE2 LYS A 17 -0.097 5.315 10.347 1.00 43.21 H new ATOM 0 HE3 LYS A 17 0.953 4.108 9.630 1.00 43.21 H new ATOM 0 HZ1 LYS A 17 1.533 4.978 11.937 1.00 42.44 H new ATOM 0 HZ2 LYS A 17 2.793 4.886 10.802 1.00 42.44 H new ATOM 0 HZ3 LYS A 17 2.076 6.384 11.156 1.00 42.44 H new ATOM 238 N CYS A 18 3.703 5.808 4.808 1.00 62.12 N ATOM 239 CA CYS A 18 4.758 6.075 3.839 1.00 72.40 C ATOM 240 C CYS A 18 5.875 6.903 4.466 1.00 34.44 C ATOM 241 O CYS A 18 5.756 8.120 4.608 1.00 23.45 O ATOM 242 CB CYS A 18 4.189 6.804 2.620 1.00 52.42 C ATOM 243 SG CYS A 18 5.340 6.907 1.211 1.00 3.00 S ATOM 0 H CYS A 18 3.209 6.639 5.132 1.00 62.12 H new ATOM 0 HA CYS A 18 5.174 5.119 3.520 1.00 72.40 H new ATOM 0 HB2 CYS A 18 3.281 6.295 2.297 1.00 52.42 H new ATOM 0 HB3 CYS A 18 3.901 7.813 2.915 1.00 52.42 H new ATOM 247 N LYS A 19 6.962 6.237 4.838 1.00 51.42 N ATOM 248 CA LYS A 19 8.102 6.910 5.448 1.00 52.21 C ATOM 249 C LYS A 19 8.550 8.097 4.602 1.00 53.44 C ATOM 250 O LYS A 19 8.888 7.944 3.428 1.00 13.31 O ATOM 251 CB LYS A 19 9.265 5.929 5.625 1.00 13.51 C ATOM 252 CG LYS A 19 8.850 4.596 6.222 1.00 12.22 C ATOM 253 CD LYS A 19 8.149 4.778 7.558 1.00 33.11 C ATOM 254 CE LYS A 19 9.134 5.141 8.659 1.00 24.41 C ATOM 255 NZ LYS A 19 8.469 5.235 9.989 1.00 4.00 N ATOM 0 H LYS A 19 7.078 5.230 4.727 1.00 51.42 H new ATOM 0 HA LYS A 19 7.793 7.279 6.426 1.00 52.21 H new ATOM 0 HB2 LYS A 19 9.732 5.754 4.656 1.00 13.51 H new ATOM 0 HB3 LYS A 19 10.020 6.385 6.265 1.00 13.51 H new ATOM 0 HG2 LYS A 19 8.187 4.077 5.530 1.00 12.22 H new ATOM 0 HG3 LYS A 19 9.729 3.966 6.354 1.00 12.22 H new ATOM 0 HD2 LYS A 19 7.395 5.560 7.471 1.00 33.11 H new ATOM 0 HD3 LYS A 19 7.626 3.859 7.824 1.00 33.11 H new ATOM 0 HE2 LYS A 19 9.925 4.392 8.700 1.00 24.41 H new ATOM 0 HE3 LYS A 19 9.609 6.093 8.422 1.00 24.41 H new ATOM 0 HZ1 LYS A 19 9.173 5.484 10.712 1.00 4.00 H new ATOM 0 HZ2 LYS A 19 7.731 5.967 9.957 1.00 4.00 H new ATOM 0 HZ3 LYS A 19 8.038 4.319 10.227 1.00 4.00 H new ATOM 265 N GLY A 20 8.552 9.282 5.205 1.00 24.05 N ATOM 266 CA GLY A 20 8.961 10.478 4.493 1.00 41.24 C ATOM 267 C GLY A 20 7.913 11.571 4.545 1.00 41.12 C ATOM 268 O GLY A 20 8.225 12.727 4.832 1.00 43.12 O ATOM 0 H GLY A 20 8.277 9.435 6.175 1.00 24.05 H new ATOM 0 HA2 GLY A 20 9.892 10.851 4.920 1.00 41.24 H new ATOM 0 HA3 GLY A 20 9.167 10.225 3.453 1.00 41.24 H new ATOM 272 N ALA A 21 6.665 11.208 4.266 1.00 45.23 N ATOM 273 CA ALA A 21 5.568 12.166 4.282 1.00 61.21 C ATOM 274 C ALA A 21 4.836 12.139 5.620 1.00 21.11 C ATOM 275 O ALA A 21 4.031 11.250 5.898 1.00 60.52 O ATOM 276 CB ALA A 21 4.600 11.880 3.144 1.00 54.02 C ATOM 0 H ALA A 21 6.389 10.256 4.026 1.00 45.23 H new ATOM 0 HA ALA A 21 5.987 13.163 4.146 1.00 61.21 H new ATOM 0 HB1 ALA A 21 3.785 12.604 3.169 1.00 54.02 H new ATOM 0 HB2 ALA A 21 5.125 11.957 2.192 1.00 54.02 H new ATOM 0 HB3 ALA A 21 4.195 10.874 3.255 1.00 54.02 H new ATOM 282 N PRO A 22 5.122 13.136 6.470 1.00 31.13 N ATOM 283 CA PRO A 22 4.501 13.249 7.794 1.00 24.00 C ATOM 284 C PRO A 22 3.022 13.611 7.711 1.00 31.24 C ATOM 285 O PRO A 22 2.388 13.442 6.671 1.00 4.12 O ATOM 286 CB PRO A 22 5.290 14.377 8.461 1.00 13.40 C ATOM 287 CG PRO A 22 5.813 15.195 7.329 1.00 12.14 C ATOM 288 CD PRO A 22 6.072 14.230 6.206 1.00 22.34 C ATOM 0 HA PRO A 22 4.533 12.307 8.341 1.00 24.00 H new ATOM 0 HB2 PRO A 22 4.654 14.971 9.117 1.00 13.40 H new ATOM 0 HB3 PRO A 22 6.102 13.984 9.073 1.00 13.40 H new ATOM 0 HG2 PRO A 22 5.091 15.956 7.031 1.00 12.14 H new ATOM 0 HG3 PRO A 22 6.727 15.717 7.614 1.00 12.14 H new ATOM 0 HD2 PRO A 22 5.896 14.689 5.233 1.00 22.34 H new ATOM 0 HD3 PRO A 22 7.103 13.876 6.210 1.00 22.34 H new ATOM 293 N LYS A 23 2.479 14.110 8.817 1.00 64.44 N ATOM 294 CA LYS A 23 1.073 14.498 8.870 1.00 43.44 C ATOM 295 C LYS A 23 0.770 15.588 7.847 1.00 11.32 C ATOM 296 O LYS A 23 -0.390 15.908 7.590 1.00 61.51 O ATOM 297 CB LYS A 23 0.711 14.986 10.275 1.00 42.15 C ATOM 298 CG LYS A 23 1.686 16.008 10.834 1.00 21.11 C ATOM 299 CD LYS A 23 2.411 15.476 12.056 1.00 2.23 C ATOM 300 CE LYS A 23 1.611 15.717 13.329 1.00 54.31 C ATOM 301 NZ LYS A 23 0.853 14.505 13.745 1.00 42.33 N ATOM 0 H LYS A 23 2.990 14.255 9.688 1.00 64.44 H new ATOM 0 HA LYS A 23 0.470 13.622 8.629 1.00 43.44 H new ATOM 0 HB2 LYS A 23 -0.287 15.423 10.253 1.00 42.15 H new ATOM 0 HB3 LYS A 23 0.669 14.130 10.948 1.00 42.15 H new ATOM 0 HG2 LYS A 23 2.413 16.276 10.067 1.00 21.11 H new ATOM 0 HG3 LYS A 23 1.149 16.919 11.097 1.00 21.11 H new ATOM 0 HD2 LYS A 23 2.593 14.408 11.936 1.00 2.23 H new ATOM 0 HD3 LYS A 23 3.385 15.958 12.141 1.00 2.23 H new ATOM 0 HE2 LYS A 23 2.286 16.016 14.131 1.00 54.31 H new ATOM 0 HE3 LYS A 23 0.917 16.543 13.171 1.00 54.31 H new ATOM 0 HZ1 LYS A 23 -0.161 14.730 13.796 1.00 42.33 H new ATOM 0 HZ2 LYS A 23 1.004 13.746 13.051 1.00 42.33 H new ATOM 0 HZ3 LYS A 23 1.186 14.191 14.679 1.00 42.33 H new ATOM 311 N LYS A 24 1.822 16.155 7.265 1.00 4.04 N ATOM 312 CA LYS A 24 1.669 17.209 6.268 1.00 3.55 C ATOM 313 C LYS A 24 0.608 16.834 5.240 1.00 64.40 C ATOM 314 O LYS A 24 0.146 15.694 5.174 1.00 20.22 O ATOM 315 CB LYS A 24 3.005 17.472 5.566 1.00 25.05 C ATOM 316 CG LYS A 24 3.707 18.729 6.048 1.00 11.04 C ATOM 317 CD LYS A 24 4.378 18.511 7.395 1.00 71.12 C ATOM 318 CE LYS A 24 4.539 19.818 8.155 1.00 13.40 C ATOM 319 NZ LYS A 24 5.537 19.701 9.254 1.00 32.12 N ATOM 0 H LYS A 24 2.789 15.902 7.466 1.00 4.04 H new ATOM 0 HA LYS A 24 1.349 18.117 6.780 1.00 3.55 H new ATOM 0 HB2 LYS A 24 3.662 16.616 5.721 1.00 25.05 H new ATOM 0 HB3 LYS A 24 2.833 17.551 4.493 1.00 25.05 H new ATOM 0 HG2 LYS A 24 4.453 19.035 5.314 1.00 11.04 H new ATOM 0 HG3 LYS A 24 2.986 19.542 6.127 1.00 11.04 H new ATOM 0 HD2 LYS A 24 3.787 17.814 7.989 1.00 71.12 H new ATOM 0 HD3 LYS A 24 5.356 18.053 7.246 1.00 71.12 H new ATOM 0 HE2 LYS A 24 4.849 20.603 7.465 1.00 13.40 H new ATOM 0 HE3 LYS A 24 3.576 20.118 8.569 1.00 13.40 H new ATOM 0 HZ1 LYS A 24 5.618 20.613 9.748 1.00 32.12 H new ATOM 0 HZ2 LYS A 24 5.229 18.969 9.926 1.00 32.12 H new ATOM 0 HZ3 LYS A 24 6.462 19.439 8.857 1.00 32.12 H new ATOM 329 N PRO A 25 0.210 17.813 4.415 1.00 30.35 N ATOM 330 CA PRO A 25 -0.801 17.610 3.372 1.00 23.34 C ATOM 331 C PRO A 25 -0.294 16.727 2.238 1.00 34.10 C ATOM 332 O PRO A 25 0.885 16.379 2.170 1.00 20.01 O ATOM 333 CB PRO A 25 -1.078 19.028 2.866 1.00 43.00 C ATOM 334 CG PRO A 25 0.167 19.787 3.168 1.00 34.51 C ATOM 335 CD PRO A 25 0.717 19.197 4.436 1.00 1.22 C ATOM 0 HA PRO A 25 -1.685 17.100 3.754 1.00 23.34 H new ATOM 0 HB2 PRO A 25 -1.295 19.032 1.798 1.00 43.00 H new ATOM 0 HB3 PRO A 25 -1.941 19.466 3.368 1.00 43.00 H new ATOM 0 HG2 PRO A 25 0.885 19.698 2.353 1.00 34.51 H new ATOM 0 HG3 PRO A 25 -0.044 20.849 3.292 1.00 34.51 H new ATOM 0 HD2 PRO A 25 1.806 19.226 4.453 1.00 1.22 H new ATOM 0 HD3 PRO A 25 0.370 19.739 5.315 1.00 1.22 H new ATOM 340 N PRO A 26 -1.202 16.356 1.324 1.00 71.50 N ATOM 341 CA PRO A 26 -0.870 15.510 0.175 1.00 12.10 C ATOM 342 C PRO A 26 0.002 16.234 -0.845 1.00 11.10 C ATOM 343 O PRO A 26 -0.498 16.988 -1.679 1.00 12.23 O ATOM 344 CB PRO A 26 -2.237 15.179 -0.431 1.00 2.01 C ATOM 345 CG PRO A 26 -3.118 16.305 -0.011 1.00 61.13 C ATOM 346 CD PRO A 26 -2.626 16.735 1.343 1.00 42.51 C ATOM 0 HA PRO A 26 -0.295 14.632 0.469 1.00 12.10 H new ATOM 0 HB2 PRO A 26 -2.181 15.103 -1.517 1.00 2.01 H new ATOM 0 HB3 PRO A 26 -2.612 14.224 -0.064 1.00 2.01 H new ATOM 0 HG2 PRO A 26 -3.066 17.128 -0.724 1.00 61.13 H new ATOM 0 HG3 PRO A 26 -4.160 15.989 0.035 1.00 61.13 H new ATOM 0 HD2 PRO A 26 -2.755 17.807 1.496 1.00 42.51 H new ATOM 0 HD3 PRO A 26 -3.165 16.231 2.145 1.00 42.51 H new ATOM 351 N GLN A 27 1.309 15.999 -0.772 1.00 51.10 N ATOM 352 CA GLN A 27 2.251 16.631 -1.689 1.00 2.12 C ATOM 353 C GLN A 27 2.623 15.683 -2.824 1.00 14.14 C ATOM 354 O GLN A 27 2.084 14.581 -2.929 1.00 72.31 O ATOM 355 CB GLN A 27 3.510 17.068 -0.940 1.00 34.34 C ATOM 356 CG GLN A 27 3.786 18.561 -1.033 1.00 43.12 C ATOM 357 CD GLN A 27 5.248 18.898 -0.810 1.00 62.33 C ATOM 358 OE1 GLN A 27 5.873 19.569 -1.633 1.00 45.10 O ATOM 359 NE2 GLN A 27 5.800 18.436 0.304 1.00 10.42 N ATOM 0 H GLN A 27 1.739 15.376 -0.088 1.00 51.10 H new ATOM 0 HA GLN A 27 1.769 17.510 -2.117 1.00 2.12 H new ATOM 0 HB2 GLN A 27 3.414 16.789 0.109 1.00 34.34 H new ATOM 0 HB3 GLN A 27 4.367 16.523 -1.337 1.00 34.34 H new ATOM 0 HG2 GLN A 27 3.479 18.923 -2.014 1.00 43.12 H new ATOM 0 HG3 GLN A 27 3.179 19.086 -0.295 1.00 43.12 H new ATOM 0 HE21 GLN A 27 5.244 17.884 0.958 1.00 10.42 H new ATOM 0 HE22 GLN A 27 6.780 18.633 0.507 1.00 10.42 H new ATOM 366 N ARG A 28 3.551 16.118 -3.672 1.00 61.50 N ATOM 367 CA ARG A 28 3.994 15.309 -4.799 1.00 42.44 C ATOM 368 C ARG A 28 4.691 14.040 -4.318 1.00 4.21 C ATOM 369 O ARG A 28 5.546 14.086 -3.432 1.00 71.04 O ATOM 370 CB ARG A 28 4.939 16.115 -5.692 1.00 54.23 C ATOM 371 CG ARG A 28 4.271 17.295 -6.379 1.00 25.24 C ATOM 372 CD ARG A 28 3.409 16.844 -7.547 1.00 62.24 C ATOM 373 NE ARG A 28 4.194 16.645 -8.763 1.00 2.24 N ATOM 374 CZ ARG A 28 3.686 16.176 -9.897 1.00 42.00 C ATOM 375 NH1 ARG A 28 2.401 15.862 -9.972 1.00 45.22 N ATOM 376 NH2 ARG A 28 4.465 16.022 -10.960 1.00 52.13 N ATOM 0 H ARG A 28 4.009 17.026 -3.599 1.00 61.50 H new ATOM 0 HA ARG A 28 3.115 15.023 -5.376 1.00 42.44 H new ATOM 0 HB2 ARG A 28 5.771 16.480 -5.090 1.00 54.23 H new ATOM 0 HB3 ARG A 28 5.360 15.455 -6.450 1.00 54.23 H new ATOM 0 HG2 ARG A 28 3.657 17.836 -5.660 1.00 25.24 H new ATOM 0 HG3 ARG A 28 5.032 17.989 -6.734 1.00 25.24 H new ATOM 0 HD2 ARG A 28 2.903 15.914 -7.286 1.00 62.24 H new ATOM 0 HD3 ARG A 28 2.634 17.587 -7.734 1.00 62.24 H new ATOM 0 HE ARG A 28 5.187 16.879 -8.740 1.00 2.24 H new ATOM 0 HH11 ARG A 28 1.799 15.980 -9.157 1.00 45.22 H new ATOM 0 HH12 ARG A 28 2.014 15.502 -10.844 1.00 45.22 H new ATOM 0 HH21 ARG A 28 5.454 16.264 -10.906 1.00 52.13 H new ATOM 0 HH22 ARG A 28 4.074 15.662 -11.831 1.00 52.13 H new ATOM 387 N LEU A 29 4.319 12.908 -4.905 1.00 45.41 N ATOM 388 CA LEU A 29 4.909 11.624 -4.535 1.00 33.11 C ATOM 389 C LEU A 29 4.449 10.521 -5.482 1.00 24.55 C ATOM 390 O LEU A 29 3.596 10.744 -6.341 1.00 22.20 O ATOM 391 CB LEU A 29 4.538 11.266 -3.096 1.00 32.33 C ATOM 392 CG LEU A 29 3.066 11.441 -2.718 1.00 40.24 C ATOM 393 CD1 LEU A 29 2.216 10.365 -3.376 1.00 64.12 C ATOM 394 CD2 LEU A 29 2.895 11.408 -1.207 1.00 61.02 C ATOM 0 H LEU A 29 3.612 12.852 -5.638 1.00 45.41 H new ATOM 0 HA LEU A 29 5.993 11.714 -4.612 1.00 33.11 H new ATOM 0 HB2 LEU A 29 4.817 10.227 -2.918 1.00 32.33 H new ATOM 0 HB3 LEU A 29 5.140 11.878 -2.424 1.00 32.33 H new ATOM 0 HG LEU A 29 2.731 12.413 -3.080 1.00 40.24 H new ATOM 0 HD11 LEU A 29 1.172 10.505 -3.096 1.00 64.12 H new ATOM 0 HD12 LEU A 29 2.314 10.436 -4.459 1.00 64.12 H new ATOM 0 HD13 LEU A 29 2.552 9.383 -3.045 1.00 64.12 H new ATOM 0 HD21 LEU A 29 1.842 11.534 -0.957 1.00 61.02 H new ATOM 0 HD22 LEU A 29 3.247 10.451 -0.822 1.00 61.02 H new ATOM 0 HD23 LEU A 29 3.473 12.215 -0.758 1.00 61.02 H new ATOM 405 N GLU A 30 5.016 9.330 -5.314 1.00 73.53 N ATOM 406 CA GLU A 30 4.659 8.191 -6.154 1.00 33.45 C ATOM 407 C GLU A 30 4.298 6.980 -5.300 1.00 44.40 C ATOM 408 O GLU A 30 5.028 6.616 -4.379 1.00 4.04 O ATOM 409 CB GLU A 30 5.817 7.841 -7.092 1.00 30.45 C ATOM 410 CG GLU A 30 5.413 6.933 -8.241 1.00 42.12 C ATOM 411 CD GLU A 30 5.614 7.583 -9.596 1.00 22.42 C ATOM 412 OE1 GLU A 30 6.742 7.512 -10.128 1.00 20.43 O ATOM 413 OE2 GLU A 30 4.641 8.162 -10.126 1.00 43.14 O ATOM 0 H GLU A 30 5.722 9.129 -4.606 1.00 73.53 H new ATOM 0 HA GLU A 30 3.789 8.467 -6.749 1.00 33.45 H new ATOM 0 HB2 GLU A 30 6.237 8.762 -7.497 1.00 30.45 H new ATOM 0 HB3 GLU A 30 6.606 7.357 -6.517 1.00 30.45 H new ATOM 0 HG2 GLU A 30 5.995 6.013 -8.194 1.00 42.12 H new ATOM 0 HG3 GLU A 30 4.365 6.654 -8.128 1.00 42.12 H new ATOM 418 N TRP A 31 3.165 6.360 -5.615 1.00 11.45 N ATOM 419 CA TRP A 31 2.706 5.188 -4.876 1.00 62.21 C ATOM 420 C TRP A 31 2.481 4.008 -5.815 1.00 3.44 C ATOM 421 O TRP A 31 1.792 4.130 -6.829 1.00 13.53 O ATOM 422 CB TRP A 31 1.415 5.511 -4.122 1.00 64.14 C ATOM 423 CG TRP A 31 1.124 4.551 -3.008 1.00 61.44 C ATOM 424 CD1 TRP A 31 1.079 3.189 -3.090 1.00 12.51 C ATOM 425 CD2 TRP A 31 0.832 4.883 -1.647 1.00 32.11 C ATOM 426 NE1 TRP A 31 0.780 2.654 -1.861 1.00 23.45 N ATOM 427 CE2 TRP A 31 0.623 3.672 -0.958 1.00 52.11 C ATOM 428 CE3 TRP A 31 0.729 6.085 -0.941 1.00 31.01 C ATOM 429 CZ2 TRP A 31 0.317 3.632 0.400 1.00 40.42 C ATOM 430 CZ3 TRP A 31 0.426 6.042 0.407 1.00 75.52 C ATOM 431 CH2 TRP A 31 0.224 4.823 1.065 1.00 23.44 C ATOM 0 H TRP A 31 2.549 6.648 -6.375 1.00 11.45 H new ATOM 0 HA TRP A 31 3.479 4.914 -4.158 1.00 62.21 H new ATOM 0 HB2 TRP A 31 1.483 6.520 -3.715 1.00 64.14 H new ATOM 0 HB3 TRP A 31 0.581 5.506 -4.824 1.00 64.14 H new ATOM 0 HD1 TRP A 31 1.253 2.616 -3.989 1.00 12.51 H new ATOM 0 HE1 TRP A 31 0.689 1.659 -1.654 1.00 23.45 H new ATOM 0 HE3 TRP A 31 0.883 7.030 -1.440 1.00 31.01 H new ATOM 0 HZ2 TRP A 31 0.159 2.693 0.910 1.00 40.42 H new ATOM 0 HZ3 TRP A 31 0.344 6.965 0.962 1.00 75.52 H new ATOM 0 HH2 TRP A 31 -0.010 4.823 2.119 1.00 23.44 H new ATOM 441 N LYS A 32 3.064 2.865 -5.470 1.00 64.03 N ATOM 442 CA LYS A 32 2.925 1.660 -6.282 1.00 0.42 C ATOM 443 C LYS A 32 2.715 0.432 -5.400 1.00 73.11 C ATOM 444 O LYS A 32 3.371 0.276 -4.369 1.00 65.31 O ATOM 445 CB LYS A 32 4.165 1.465 -7.158 1.00 35.23 C ATOM 446 CG LYS A 32 4.209 2.389 -8.364 1.00 45.23 C ATOM 447 CD LYS A 32 5.418 2.105 -9.239 1.00 72.33 C ATOM 448 CE LYS A 32 5.203 0.872 -10.104 1.00 32.43 C ATOM 449 NZ LYS A 32 4.575 1.213 -11.411 1.00 53.11 N ATOM 0 H LYS A 32 3.637 2.747 -4.634 1.00 64.03 H new ATOM 0 HA LYS A 32 2.051 1.781 -6.922 1.00 0.42 H new ATOM 0 HB2 LYS A 32 5.057 1.629 -6.553 1.00 35.23 H new ATOM 0 HB3 LYS A 32 4.198 0.431 -7.501 1.00 35.23 H new ATOM 0 HG2 LYS A 32 3.298 2.268 -8.950 1.00 45.23 H new ATOM 0 HG3 LYS A 32 4.237 3.426 -8.029 1.00 45.23 H new ATOM 0 HD2 LYS A 32 5.618 2.967 -9.876 1.00 72.33 H new ATOM 0 HD3 LYS A 32 6.297 1.961 -8.611 1.00 72.33 H new ATOM 0 HE2 LYS A 32 6.160 0.380 -10.278 1.00 32.43 H new ATOM 0 HE3 LYS A 32 4.571 0.161 -9.572 1.00 32.43 H new ATOM 0 HZ1 LYS A 32 3.684 0.687 -11.516 1.00 53.11 H new ATOM 0 HZ2 LYS A 32 4.381 2.234 -11.447 1.00 53.11 H new ATOM 0 HZ3 LYS A 32 5.221 0.956 -12.184 1.00 53.11 H new ATOM 459 N LEU A 33 1.799 -0.435 -5.813 1.00 40.40 N ATOM 460 CA LEU A 33 1.504 -1.651 -5.062 1.00 40.22 C ATOM 461 C LEU A 33 1.340 -2.844 -6.000 1.00 23.20 C ATOM 462 O LEU A 33 0.700 -2.741 -7.046 1.00 5.43 O ATOM 463 CB LEU A 33 0.234 -1.464 -4.229 1.00 54.13 C ATOM 464 CG LEU A 33 -0.335 -2.726 -3.583 1.00 23.42 C ATOM 465 CD1 LEU A 33 0.157 -2.859 -2.150 1.00 3.11 C ATOM 466 CD2 LEU A 33 -1.856 -2.707 -3.626 1.00 45.24 C ATOM 0 H LEU A 33 1.247 -0.320 -6.663 1.00 40.40 H new ATOM 0 HA LEU A 33 2.343 -1.849 -4.395 1.00 40.22 H new ATOM 0 HB2 LEU A 33 0.443 -0.739 -3.442 1.00 54.13 H new ATOM 0 HB3 LEU A 33 -0.535 -1.028 -4.867 1.00 54.13 H new ATOM 0 HG LEU A 33 0.014 -3.590 -4.148 1.00 23.42 H new ATOM 0 HD11 LEU A 33 -0.258 -3.763 -1.705 1.00 3.11 H new ATOM 0 HD12 LEU A 33 1.245 -2.918 -2.143 1.00 3.11 H new ATOM 0 HD13 LEU A 33 -0.163 -1.991 -1.573 1.00 3.11 H new ATOM 0 HD21 LEU A 33 -2.244 -3.613 -3.162 1.00 45.24 H new ATOM 0 HD22 LEU A 33 -2.224 -1.835 -3.085 1.00 45.24 H new ATOM 0 HD23 LEU A 33 -2.190 -2.659 -4.662 1.00 45.24 H new ATOM 477 N ASN A 34 1.921 -3.975 -5.616 1.00 54.51 N ATOM 478 CA ASN A 34 1.838 -5.190 -6.421 1.00 22.44 C ATOM 479 C ASN A 34 1.038 -6.267 -5.697 1.00 71.42 C ATOM 480 O ASN A 34 1.332 -6.615 -4.553 1.00 71.21 O ATOM 481 CB ASN A 34 3.241 -5.709 -6.742 1.00 64.32 C ATOM 482 CG ASN A 34 3.231 -7.158 -7.188 1.00 62.12 C ATOM 483 OD1 ASN A 34 2.300 -7.500 -8.072 1.00 74.32 O flip ATOM 484 ND2 ASN A 34 4.051 -7.962 -6.742 1.00 55.02 N flip ATOM 0 H ASN A 34 2.455 -4.077 -4.753 1.00 54.51 H new ATOM 0 HA ASN A 34 1.326 -4.947 -7.352 1.00 22.44 H new ATOM 0 HB2 ASN A 34 3.683 -5.093 -7.525 1.00 64.32 H new ATOM 0 HB3 ASN A 34 3.874 -5.607 -5.861 1.00 64.32 H new ATOM 0 HD21 ASN A 34 4.749 -7.656 -6.064 1.00 55.02 H new ATOM 0 HD22 ASN A 34 4.032 -8.934 -7.051 1.00 55.02 H new ATOM 490 N THR A 35 0.021 -6.796 -6.374 1.00 52.30 N ATOM 491 CA THR A 35 -0.823 -7.834 -5.796 1.00 44.45 C ATOM 492 C THR A 35 -1.143 -8.915 -6.822 1.00 52.43 C ATOM 493 O THR A 35 -0.697 -8.850 -7.967 1.00 23.24 O ATOM 494 CB THR A 35 -2.141 -7.250 -5.254 1.00 62.12 C ATOM 495 OG1 THR A 35 -2.913 -6.702 -6.329 1.00 14.03 O ATOM 496 CG2 THR A 35 -1.868 -6.171 -4.217 1.00 3.44 C ATOM 0 H THR A 35 -0.237 -6.522 -7.322 1.00 52.30 H new ATOM 0 HA THR A 35 -0.263 -8.274 -4.970 1.00 44.45 H new ATOM 0 HB THR A 35 -2.702 -8.055 -4.779 1.00 62.12 H new ATOM 0 HG1 THR A 35 -3.750 -6.334 -5.976 1.00 14.03 H new ATOM 0 HG21 THR A 35 -2.813 -5.773 -3.848 1.00 3.44 H new ATOM 0 HG22 THR A 35 -1.306 -6.598 -3.387 1.00 3.44 H new ATOM 0 HG23 THR A 35 -1.289 -5.367 -4.672 1.00 3.44 H new ATOM 504 N GLY A 36 -1.921 -9.909 -6.405 1.00 5.02 N ATOM 505 CA GLY A 36 -2.289 -10.991 -7.300 1.00 34.12 C ATOM 506 C GLY A 36 -1.137 -11.939 -7.568 1.00 14.30 C ATOM 507 O GLY A 36 -0.522 -12.458 -6.636 1.00 71.20 O ATOM 0 H GLY A 36 -2.303 -9.984 -5.462 1.00 5.02 H new ATOM 0 HA2 GLY A 36 -3.121 -11.548 -6.869 1.00 34.12 H new ATOM 0 HA3 GLY A 36 -2.640 -10.574 -8.244 1.00 34.12 H new ATOM 511 N ARG A 37 -0.844 -12.167 -8.844 1.00 23.11 N ATOM 512 CA ARG A 37 0.239 -13.063 -9.232 1.00 23.35 C ATOM 513 C ARG A 37 1.374 -12.287 -9.892 1.00 13.51 C ATOM 514 O ARG A 37 2.551 -12.582 -9.676 1.00 22.40 O ATOM 515 CB ARG A 37 -0.278 -14.142 -10.184 1.00 25.44 C ATOM 516 CG ARG A 37 -1.337 -15.043 -9.568 1.00 72.04 C ATOM 517 CD ARG A 37 -0.782 -15.830 -8.390 1.00 61.13 C ATOM 518 NE ARG A 37 0.470 -16.505 -8.725 1.00 61.41 N ATOM 519 CZ ARG A 37 0.544 -17.558 -9.529 1.00 10.43 C ATOM 520 NH1 ARG A 37 -0.554 -18.056 -10.079 1.00 64.55 N ATOM 521 NH2 ARG A 37 1.720 -18.118 -9.786 1.00 31.14 N ATOM 0 H ARG A 37 -1.342 -11.743 -9.627 1.00 23.11 H new ATOM 0 HA ARG A 37 0.624 -13.540 -8.330 1.00 23.35 H new ATOM 0 HB2 ARG A 37 -0.692 -13.663 -11.071 1.00 25.44 H new ATOM 0 HB3 ARG A 37 0.561 -14.755 -10.514 1.00 25.44 H new ATOM 0 HG2 ARG A 37 -2.183 -14.440 -9.238 1.00 72.04 H new ATOM 0 HG3 ARG A 37 -1.713 -15.733 -10.323 1.00 72.04 H new ATOM 0 HD2 ARG A 37 -0.617 -15.156 -7.549 1.00 61.13 H new ATOM 0 HD3 ARG A 37 -1.517 -16.568 -8.068 1.00 61.13 H new ATOM 0 HE ARG A 37 1.334 -16.147 -8.319 1.00 61.41 H new ATOM 0 HH11 ARG A 37 -1.460 -17.630 -9.885 1.00 64.55 H new ATOM 0 HH12 ARG A 37 -0.493 -18.866 -10.697 1.00 64.55 H new ATOM 0 HH21 ARG A 37 2.568 -17.739 -9.365 1.00 31.14 H new ATOM 0 HH22 ARG A 37 1.775 -18.927 -10.404 1.00 31.14 H new ATOM 532 N THR A 38 1.016 -11.293 -10.700 1.00 45.25 N ATOM 533 CA THR A 38 2.002 -10.478 -11.393 1.00 53.24 C ATOM 534 C THR A 38 1.329 -9.429 -12.273 1.00 13.33 C ATOM 535 O THR A 38 1.880 -8.353 -12.501 1.00 2.52 O ATOM 536 CB THR A 38 2.933 -11.341 -12.266 1.00 51.24 C ATOM 537 OG1 THR A 38 4.116 -10.606 -12.598 1.00 72.45 O ATOM 538 CG2 THR A 38 2.227 -11.780 -13.540 1.00 33.40 C ATOM 0 H THR A 38 0.048 -11.034 -10.889 1.00 45.25 H new ATOM 0 HA THR A 38 2.594 -9.980 -10.625 1.00 53.24 H new ATOM 0 HB THR A 38 3.207 -12.229 -11.697 1.00 51.24 H new ATOM 0 HG1 THR A 38 4.702 -11.163 -13.152 1.00 72.45 H new ATOM 0 HG21 THR A 38 2.904 -12.388 -14.140 1.00 33.40 H new ATOM 0 HG22 THR A 38 1.344 -12.366 -13.283 1.00 33.40 H new ATOM 0 HG23 THR A 38 1.926 -10.901 -14.111 1.00 33.40 H new ATOM 546 N GLU A 39 0.136 -9.751 -12.761 1.00 41.34 N ATOM 547 CA GLU A 39 -0.611 -8.836 -13.616 1.00 35.23 C ATOM 548 C GLU A 39 -1.721 -8.143 -12.830 1.00 22.23 C ATOM 549 O GLU A 39 -2.793 -7.864 -13.366 1.00 74.41 O ATOM 550 CB GLU A 39 -1.207 -9.586 -14.808 1.00 35.44 C ATOM 551 CG GLU A 39 -0.162 -10.105 -15.782 1.00 45.52 C ATOM 552 CD GLU A 39 -0.669 -11.268 -16.615 1.00 11.24 C ATOM 553 OE1 GLU A 39 -1.875 -11.582 -16.526 1.00 11.41 O ATOM 554 OE2 GLU A 39 0.143 -11.863 -17.355 1.00 24.43 O ATOM 0 H GLU A 39 -0.334 -10.638 -12.579 1.00 41.34 H new ATOM 0 HA GLU A 39 0.080 -8.077 -13.984 1.00 35.23 H new ATOM 0 HB2 GLU A 39 -1.798 -10.425 -14.441 1.00 35.44 H new ATOM 0 HB3 GLU A 39 -1.890 -8.923 -15.339 1.00 35.44 H new ATOM 0 HG2 GLU A 39 0.146 -9.296 -16.444 1.00 45.52 H new ATOM 0 HG3 GLU A 39 0.723 -10.418 -15.228 1.00 45.52 H new ATOM 559 N ALA A 40 -1.457 -7.872 -11.556 1.00 55.22 N ATOM 560 CA ALA A 40 -2.432 -7.211 -10.698 1.00 11.14 C ATOM 561 C ALA A 40 -1.863 -5.925 -10.108 1.00 33.01 C ATOM 562 O ALA A 40 -2.577 -5.160 -9.460 1.00 1.43 O ATOM 563 CB ALA A 40 -2.879 -8.151 -9.588 1.00 22.15 C ATOM 0 H ALA A 40 -0.576 -8.100 -11.096 1.00 55.22 H new ATOM 0 HA ALA A 40 -3.296 -6.948 -11.307 1.00 11.14 H new ATOM 0 HB1 ALA A 40 -3.607 -7.645 -8.954 1.00 22.15 H new ATOM 0 HB2 ALA A 40 -3.334 -9.040 -10.025 1.00 22.15 H new ATOM 0 HB3 ALA A 40 -2.017 -8.442 -8.989 1.00 22.15 H new ATOM 569 N TRP A 41 -0.575 -5.694 -10.336 1.00 61.12 N ATOM 570 CA TRP A 41 0.089 -4.501 -9.826 1.00 24.52 C ATOM 571 C TRP A 41 -0.517 -3.239 -10.432 1.00 2.31 C ATOM 572 O TRP A 41 -0.691 -3.143 -11.647 1.00 70.13 O ATOM 573 CB TRP A 41 1.587 -4.557 -10.129 1.00 12.10 C ATOM 574 CG TRP A 41 1.910 -4.336 -11.576 1.00 73.52 C ATOM 575 CD1 TRP A 41 1.328 -4.950 -12.648 1.00 51.35 C ATOM 576 CD2 TRP A 41 2.891 -3.439 -12.109 1.00 21.35 C ATOM 577 NE1 TRP A 41 1.888 -4.490 -13.815 1.00 34.13 N ATOM 578 CE2 TRP A 41 2.849 -3.561 -13.511 1.00 2.41 C ATOM 579 CE3 TRP A 41 3.798 -2.544 -11.536 1.00 75.14 C ATOM 580 CZ2 TRP A 41 3.681 -2.822 -14.347 1.00 2.45 C ATOM 581 CZ3 TRP A 41 4.624 -1.810 -12.367 1.00 53.04 C ATOM 582 CH2 TRP A 41 4.561 -1.953 -13.760 1.00 74.53 C ATOM 0 H TRP A 41 0.030 -6.317 -10.871 1.00 61.12 H new ATOM 0 HA TRP A 41 -0.056 -4.469 -8.746 1.00 24.52 H new ATOM 0 HB2 TRP A 41 2.100 -3.804 -9.531 1.00 12.10 H new ATOM 0 HB3 TRP A 41 1.976 -5.528 -9.821 1.00 12.10 H new ATOM 0 HD1 TRP A 41 0.543 -5.689 -12.587 1.00 51.35 H new ATOM 0 HE1 TRP A 41 1.631 -4.791 -14.755 1.00 34.13 H new ATOM 0 HE3 TRP A 41 3.853 -2.428 -10.464 1.00 75.14 H new ATOM 0 HZ2 TRP A 41 3.634 -2.930 -15.421 1.00 2.45 H new ATOM 0 HZ3 TRP A 41 5.329 -1.115 -11.936 1.00 53.04 H new ATOM 0 HH2 TRP A 41 5.220 -1.366 -14.383 1.00 74.53 H new ATOM 592 N LYS A 42 -0.838 -2.272 -9.578 1.00 43.41 N ATOM 593 CA LYS A 42 -1.423 -1.017 -10.028 1.00 30.33 C ATOM 594 C LYS A 42 -0.682 0.174 -9.430 1.00 14.21 C ATOM 595 O LYS A 42 -0.073 0.069 -8.365 1.00 12.14 O ATOM 596 CB LYS A 42 -2.903 -0.953 -9.645 1.00 61.24 C ATOM 597 CG LYS A 42 -3.543 -2.319 -9.461 1.00 13.55 C ATOM 598 CD LYS A 42 -3.403 -2.811 -8.030 1.00 41.02 C ATOM 599 CE LYS A 42 -4.212 -1.959 -7.065 1.00 22.10 C ATOM 600 NZ LYS A 42 -5.298 -2.739 -6.413 1.00 24.21 N ATOM 0 H LYS A 42 -0.702 -2.335 -8.569 1.00 43.41 H new ATOM 0 HA LYS A 42 -1.332 -0.972 -11.113 1.00 30.33 H new ATOM 0 HB2 LYS A 42 -3.006 -0.385 -8.720 1.00 61.24 H new ATOM 0 HB3 LYS A 42 -3.446 -0.407 -10.417 1.00 61.24 H new ATOM 0 HG2 LYS A 42 -4.599 -2.266 -9.727 1.00 13.55 H new ATOM 0 HG3 LYS A 42 -3.078 -3.034 -10.140 1.00 13.55 H new ATOM 0 HD2 LYS A 42 -3.734 -3.848 -7.967 1.00 41.02 H new ATOM 0 HD3 LYS A 42 -2.353 -2.793 -7.739 1.00 41.02 H new ATOM 0 HE2 LYS A 42 -3.551 -1.548 -6.302 1.00 22.10 H new ATOM 0 HE3 LYS A 42 -4.644 -1.114 -7.601 1.00 22.10 H new ATOM 0 HZ1 LYS A 42 -5.826 -2.122 -5.763 1.00 24.21 H new ATOM 0 HZ2 LYS A 42 -5.943 -3.110 -7.139 1.00 24.21 H new ATOM 0 HZ3 LYS A 42 -4.885 -3.531 -5.880 1.00 24.21 H new ATOM 610 N VAL A 43 -0.736 1.310 -10.122 1.00 5.02 N ATOM 611 CA VAL A 43 -0.071 2.520 -9.658 1.00 23.41 C ATOM 612 C VAL A 43 -1.008 3.367 -8.801 1.00 51.32 C ATOM 613 O VAL A 43 -2.036 3.849 -9.277 1.00 72.41 O ATOM 614 CB VAL A 43 0.435 3.371 -10.838 1.00 20.22 C ATOM 615 CG1 VAL A 43 1.089 4.648 -10.335 1.00 12.13 C ATOM 616 CG2 VAL A 43 1.402 2.568 -11.695 1.00 14.32 C ATOM 0 H VAL A 43 -1.234 1.415 -11.006 1.00 5.02 H new ATOM 0 HA VAL A 43 0.781 2.202 -9.057 1.00 23.41 H new ATOM 0 HB VAL A 43 -0.419 3.649 -11.456 1.00 20.22 H new ATOM 0 HG11 VAL A 43 1.440 5.236 -11.183 1.00 12.13 H new ATOM 0 HG12 VAL A 43 0.363 5.229 -9.767 1.00 12.13 H new ATOM 0 HG13 VAL A 43 1.934 4.396 -9.694 1.00 12.13 H new ATOM 0 HG21 VAL A 43 1.750 3.183 -12.524 1.00 14.32 H new ATOM 0 HG22 VAL A 43 2.254 2.259 -11.090 1.00 14.32 H new ATOM 0 HG23 VAL A 43 0.895 1.686 -12.086 1.00 14.32 H new ATOM 626 N LEU A 44 -0.644 3.543 -7.537 1.00 0.24 N ATOM 627 CA LEU A 44 -1.450 4.332 -6.612 1.00 31.15 C ATOM 628 C LEU A 44 -1.025 5.797 -6.632 1.00 24.32 C ATOM 629 O LEU A 44 0.140 6.113 -6.872 1.00 41.42 O ATOM 630 CB LEU A 44 -1.329 3.774 -5.193 1.00 1.53 C ATOM 631 CG LEU A 44 -2.525 2.969 -4.683 1.00 4.44 C ATOM 632 CD1 LEU A 44 -2.081 1.961 -3.634 1.00 42.10 C ATOM 633 CD2 LEU A 44 -3.589 3.896 -4.118 1.00 64.40 C ATOM 0 H LEU A 44 0.204 3.150 -7.128 1.00 0.24 H new ATOM 0 HA LEU A 44 -2.490 4.270 -6.932 1.00 31.15 H new ATOM 0 HB2 LEU A 44 -0.444 3.139 -5.148 1.00 1.53 H new ATOM 0 HB3 LEU A 44 -1.159 4.606 -4.510 1.00 1.53 H new ATOM 0 HG LEU A 44 -2.956 2.423 -5.522 1.00 4.44 H new ATOM 0 HD11 LEU A 44 -2.945 1.397 -3.282 1.00 42.10 H new ATOM 0 HD12 LEU A 44 -1.355 1.276 -4.072 1.00 42.10 H new ATOM 0 HD13 LEU A 44 -1.625 2.486 -2.795 1.00 42.10 H new ATOM 0 HD21 LEU A 44 -4.433 3.306 -3.760 1.00 64.40 H new ATOM 0 HD22 LEU A 44 -3.170 4.469 -3.291 1.00 64.40 H new ATOM 0 HD23 LEU A 44 -3.928 4.578 -4.897 1.00 64.40 H new ATOM 644 N SER A 45 -1.978 6.688 -6.374 1.00 72.43 N ATOM 645 CA SER A 45 -1.702 8.120 -6.365 1.00 24.33 C ATOM 646 C SER A 45 -2.126 8.745 -5.040 1.00 15.15 C ATOM 647 O SER A 45 -2.905 8.175 -4.274 1.00 73.02 O ATOM 648 CB SER A 45 -2.430 8.809 -7.521 1.00 22.01 C ATOM 649 OG SER A 45 -1.543 9.074 -8.593 1.00 55.04 O ATOM 0 H SER A 45 -2.947 6.444 -6.169 1.00 72.43 H new ATOM 0 HA SER A 45 -0.628 8.259 -6.487 1.00 24.33 H new ATOM 0 HB2 SER A 45 -3.248 8.178 -7.868 1.00 22.01 H new ATOM 0 HB3 SER A 45 -2.873 9.742 -7.172 1.00 22.01 H new ATOM 0 HG SER A 45 -2.031 9.513 -9.321 1.00 55.04 H new ATOM 654 N PRO A 46 -1.601 9.948 -4.758 1.00 45.33 N ATOM 655 CA PRO A 46 -1.909 10.678 -3.526 1.00 22.11 C ATOM 656 C PRO A 46 -3.345 11.190 -3.500 1.00 23.03 C ATOM 657 O PRO A 46 -3.770 11.823 -2.533 1.00 72.11 O ATOM 658 CB PRO A 46 -0.924 11.849 -3.550 1.00 54.14 C ATOM 659 CG PRO A 46 -0.612 12.051 -4.993 1.00 52.43 C ATOM 660 CD PRO A 46 -0.665 10.686 -5.623 1.00 73.13 C ATOM 0 HA PRO A 46 -1.817 10.045 -2.644 1.00 22.11 H new ATOM 0 HB2 PRO A 46 -1.363 12.745 -3.111 1.00 54.14 H new ATOM 0 HB3 PRO A 46 -0.024 11.621 -2.978 1.00 54.14 H new ATOM 0 HG2 PRO A 46 -1.333 12.724 -5.458 1.00 52.43 H new ATOM 0 HG3 PRO A 46 0.372 12.502 -5.120 1.00 52.43 H new ATOM 0 HD2 PRO A 46 -1.020 10.732 -6.652 1.00 73.13 H new ATOM 0 HD3 PRO A 46 0.318 10.215 -5.646 1.00 73.13 H new ATOM 665 N GLN A 47 -4.088 10.912 -4.566 1.00 13.42 N ATOM 666 CA GLN A 47 -5.476 11.346 -4.664 1.00 72.11 C ATOM 667 C GLN A 47 -6.410 10.150 -4.815 1.00 24.43 C ATOM 668 O GLN A 47 -6.962 9.912 -5.887 1.00 23.01 O ATOM 669 CB GLN A 47 -5.653 12.298 -5.849 1.00 44.44 C ATOM 670 CG GLN A 47 -7.061 12.856 -5.977 1.00 3.53 C ATOM 671 CD GLN A 47 -7.266 14.114 -5.156 1.00 22.31 C ATOM 672 OE1 GLN A 47 -7.320 15.219 -5.695 1.00 73.44 O ATOM 673 NE2 GLN A 47 -7.383 13.952 -3.843 1.00 31.20 N ATOM 0 H GLN A 47 -3.752 10.388 -5.374 1.00 13.42 H new ATOM 0 HA GLN A 47 -5.732 11.871 -3.744 1.00 72.11 H new ATOM 0 HB2 GLN A 47 -4.951 13.126 -5.747 1.00 44.44 H new ATOM 0 HB3 GLN A 47 -5.395 11.772 -6.768 1.00 44.44 H new ATOM 0 HG2 GLN A 47 -7.268 13.073 -7.025 1.00 3.53 H new ATOM 0 HG3 GLN A 47 -7.778 12.099 -5.660 1.00 3.53 H new ATOM 0 HE21 GLN A 47 -7.332 13.017 -3.438 1.00 31.20 H new ATOM 0 HE22 GLN A 47 -7.524 14.762 -3.240 1.00 31.20 H new ATOM 680 N GLY A 48 -6.583 9.401 -3.729 1.00 30.50 N ATOM 681 CA GLY A 48 -7.452 8.239 -3.761 1.00 0.42 C ATOM 682 C GLY A 48 -8.788 8.494 -3.090 1.00 55.15 C ATOM 683 O GLY A 48 -9.452 7.562 -2.641 1.00 64.02 O ATOM 0 H GLY A 48 -6.137 9.578 -2.829 1.00 30.50 H new ATOM 0 HA2 GLY A 48 -7.620 7.943 -4.797 1.00 0.42 H new ATOM 0 HA3 GLY A 48 -6.955 7.404 -3.268 1.00 0.42 H new ATOM 687 N GLY A 49 -9.180 9.762 -3.022 1.00 22.41 N ATOM 688 CA GLY A 49 -10.441 10.115 -2.398 1.00 63.31 C ATOM 689 C GLY A 49 -11.632 9.815 -3.286 1.00 60.43 C ATOM 690 O GLY A 49 -12.402 10.712 -3.629 1.00 11.10 O ATOM 0 H GLY A 49 -8.647 10.551 -3.388 1.00 22.41 H new ATOM 0 HA2 GLY A 49 -10.544 9.569 -1.460 1.00 63.31 H new ATOM 0 HA3 GLY A 49 -10.435 11.176 -2.150 1.00 63.31 H new ATOM 694 N GLY A 50 -11.782 8.548 -3.665 1.00 34.32 N ATOM 695 CA GLY A 50 -12.889 8.157 -4.518 1.00 1.12 C ATOM 696 C GLY A 50 -13.589 6.907 -4.021 1.00 74.15 C ATOM 697 O GLY A 50 -14.000 6.818 -2.866 1.00 3.44 O ATOM 0 H GLY A 50 -11.157 7.787 -3.397 1.00 34.32 H new ATOM 0 HA2 GLY A 50 -13.608 8.975 -4.574 1.00 1.12 H new ATOM 0 HA3 GLY A 50 -12.522 7.986 -5.530 1.00 1.12 H new ATOM 701 N PRO A 51 -13.734 5.912 -4.910 1.00 54.04 N ATOM 702 CA PRO A 51 -14.390 4.644 -4.581 1.00 22.44 C ATOM 703 C PRO A 51 -13.563 3.797 -3.619 1.00 70.14 C ATOM 704 O PRO A 51 -12.717 3.008 -4.043 1.00 73.51 O ATOM 705 CB PRO A 51 -14.517 3.946 -5.936 1.00 21.45 C ATOM 706 CG PRO A 51 -13.423 4.526 -6.765 1.00 51.34 C ATOM 707 CD PRO A 51 -13.268 5.950 -6.307 1.00 54.43 C ATOM 0 HA PRO A 51 -15.344 4.798 -4.076 1.00 22.44 H new ATOM 0 HB2 PRO A 51 -14.408 2.866 -5.837 1.00 21.45 H new ATOM 0 HB3 PRO A 51 -15.493 4.128 -6.385 1.00 21.45 H new ATOM 0 HG2 PRO A 51 -12.495 3.970 -6.631 1.00 51.34 H new ATOM 0 HG3 PRO A 51 -13.671 4.482 -7.825 1.00 51.34 H new ATOM 0 HD2 PRO A 51 -12.233 6.284 -6.376 1.00 54.43 H new ATOM 0 HD3 PRO A 51 -13.865 6.634 -6.911 1.00 54.43 H new ATOM 712 N TRP A 52 -13.812 3.963 -2.325 1.00 43.12 N ATOM 713 CA TRP A 52 -13.090 3.212 -1.305 1.00 10.31 C ATOM 714 C TRP A 52 -13.713 1.838 -1.098 1.00 5.04 C ATOM 715 O TRP A 52 -13.014 0.863 -0.817 1.00 32.24 O ATOM 716 CB TRP A 52 -13.080 3.986 0.015 1.00 73.04 C ATOM 717 CG TRP A 52 -14.422 4.537 0.390 1.00 31.12 C ATOM 718 CD1 TRP A 52 -14.893 5.792 0.130 1.00 40.12 C ATOM 719 CD2 TRP A 52 -15.462 3.852 1.096 1.00 33.24 C ATOM 720 NE1 TRP A 52 -16.166 5.929 0.631 1.00 42.42 N ATOM 721 CE2 TRP A 52 -16.539 4.752 1.228 1.00 54.25 C ATOM 722 CE3 TRP A 52 -15.592 2.566 1.627 1.00 74.45 C ATOM 723 CZ2 TRP A 52 -17.724 4.406 1.869 1.00 62.52 C ATOM 724 CZ3 TRP A 52 -16.770 2.225 2.264 1.00 53.43 C ATOM 725 CH2 TRP A 52 -17.823 3.140 2.379 1.00 25.33 C ATOM 0 H TRP A 52 -14.509 4.611 -1.957 1.00 43.12 H new ATOM 0 HA TRP A 52 -12.064 3.076 -1.647 1.00 10.31 H new ATOM 0 HB2 TRP A 52 -12.730 3.329 0.811 1.00 73.04 H new ATOM 0 HB3 TRP A 52 -12.366 4.806 -0.058 1.00 73.04 H new ATOM 0 HD1 TRP A 52 -14.346 6.563 -0.392 1.00 40.12 H new ATOM 0 HE1 TRP A 52 -16.740 6.770 0.569 1.00 42.42 H new ATOM 0 HE3 TRP A 52 -14.787 1.852 1.541 1.00 74.45 H new ATOM 0 HZ2 TRP A 52 -18.537 5.111 1.961 1.00 62.52 H new ATOM 0 HZ3 TRP A 52 -16.880 1.235 2.681 1.00 53.43 H new ATOM 0 HH2 TRP A 52 -18.732 2.841 2.880 1.00 25.33 H new ATOM 735 N ASP A 53 -15.033 1.762 -1.239 1.00 53.32 N ATOM 736 CA ASP A 53 -15.750 0.505 -1.069 1.00 23.10 C ATOM 737 C ASP A 53 -15.250 -0.544 -2.057 1.00 64.12 C ATOM 738 O ASP A 53 -15.348 -1.746 -1.804 1.00 72.12 O ATOM 739 CB ASP A 53 -17.254 0.721 -1.252 1.00 51.30 C ATOM 740 CG ASP A 53 -18.057 -0.535 -0.978 1.00 50.24 C ATOM 741 OD1 ASP A 53 -17.716 -1.260 -0.020 1.00 44.24 O ATOM 742 OD2 ASP A 53 -19.027 -0.792 -1.721 1.00 33.34 O ATOM 0 H ASP A 53 -15.627 2.558 -1.471 1.00 53.32 H new ATOM 0 HA ASP A 53 -15.564 0.143 -0.058 1.00 23.10 H new ATOM 0 HB2 ASP A 53 -17.588 1.515 -0.584 1.00 51.30 H new ATOM 0 HB3 ASP A 53 -17.448 1.058 -2.270 1.00 51.30 H new ATOM 746 N SER A 54 -14.715 -0.082 -3.182 1.00 52.31 N ATOM 747 CA SER A 54 -14.204 -0.982 -4.212 1.00 35.04 C ATOM 748 C SER A 54 -12.740 -1.324 -3.954 1.00 45.41 C ATOM 749 O SER A 54 -12.340 -2.486 -4.033 1.00 70.52 O ATOM 750 CB SER A 54 -14.355 -0.346 -5.595 1.00 11.41 C ATOM 751 OG SER A 54 -15.215 0.780 -5.547 1.00 63.34 O ATOM 0 H SER A 54 -14.624 0.909 -3.405 1.00 52.31 H new ATOM 0 HA SER A 54 -14.786 -1.903 -4.178 1.00 35.04 H new ATOM 0 HB2 SER A 54 -13.377 -0.045 -5.969 1.00 11.41 H new ATOM 0 HB3 SER A 54 -14.752 -1.081 -6.296 1.00 11.41 H new ATOM 0 HG SER A 54 -15.422 1.073 -6.459 1.00 63.34 H new ATOM 756 N VAL A 55 -11.945 -0.306 -3.644 1.00 55.13 N ATOM 757 CA VAL A 55 -10.525 -0.498 -3.374 1.00 50.34 C ATOM 758 C VAL A 55 -10.124 0.149 -2.053 1.00 60.23 C ATOM 759 O VAL A 55 -10.320 -0.427 -0.984 1.00 24.44 O ATOM 760 CB VAL A 55 -9.655 0.085 -4.504 1.00 5.15 C ATOM 761 CG1 VAL A 55 -9.424 -0.955 -5.589 1.00 12.41 C ATOM 762 CG2 VAL A 55 -10.298 1.336 -5.081 1.00 63.00 C ATOM 0 H VAL A 55 -12.260 0.662 -3.573 1.00 55.13 H new ATOM 0 HA VAL A 55 -10.357 -1.573 -3.314 1.00 50.34 H new ATOM 0 HB VAL A 55 -8.687 0.362 -4.087 1.00 5.15 H new ATOM 0 HG11 VAL A 55 -8.808 -0.526 -6.379 1.00 12.41 H new ATOM 0 HG12 VAL A 55 -8.916 -1.820 -5.162 1.00 12.41 H new ATOM 0 HG13 VAL A 55 -10.382 -1.266 -6.005 1.00 12.41 H new ATOM 0 HG21 VAL A 55 -9.669 1.734 -5.878 1.00 63.00 H new ATOM 0 HG22 VAL A 55 -11.280 1.088 -5.483 1.00 63.00 H new ATOM 0 HG23 VAL A 55 -10.406 2.085 -4.296 1.00 63.00 H new ATOM 772 N ALA A 56 -9.563 1.351 -2.136 1.00 61.31 N ATOM 773 CA ALA A 56 -9.137 2.079 -0.947 1.00 4.12 C ATOM 774 C ALA A 56 -8.847 3.539 -1.272 1.00 21.22 C ATOM 775 O ALA A 56 -8.896 3.949 -2.432 1.00 10.11 O ATOM 776 CB ALA A 56 -7.911 1.418 -0.335 1.00 74.22 C ATOM 0 H ALA A 56 -9.393 1.841 -3.014 1.00 61.31 H new ATOM 0 HA ALA A 56 -9.951 2.051 -0.223 1.00 4.12 H new ATOM 0 HB1 ALA A 56 -7.604 1.972 0.552 1.00 74.22 H new ATOM 0 HB2 ALA A 56 -8.152 0.392 -0.057 1.00 74.22 H new ATOM 0 HB3 ALA A 56 -7.098 1.416 -1.061 1.00 74.22 H new ATOM 782 N ARG A 57 -8.545 4.322 -0.241 1.00 4.44 N ATOM 783 CA ARG A 57 -8.248 5.738 -0.418 1.00 20.45 C ATOM 784 C ARG A 57 -6.868 6.077 0.135 1.00 54.11 C ATOM 785 O ARG A 57 -6.304 5.327 0.932 1.00 24.21 O ATOM 786 CB ARG A 57 -9.311 6.595 0.276 1.00 42.34 C ATOM 787 CG ARG A 57 -10.169 5.819 1.261 1.00 11.44 C ATOM 788 CD ARG A 57 -11.490 6.525 1.526 1.00 54.02 C ATOM 789 NE ARG A 57 -11.424 7.385 2.704 1.00 73.14 N ATOM 790 CZ ARG A 57 -12.473 8.031 3.202 1.00 44.45 C ATOM 791 NH1 ARG A 57 -13.662 7.910 2.628 1.00 31.43 N ATOM 792 NH2 ARG A 57 -12.335 8.794 4.278 1.00 53.53 N ATOM 0 H ARG A 57 -8.500 3.999 0.726 1.00 4.44 H new ATOM 0 HA ARG A 57 -8.256 5.954 -1.486 1.00 20.45 H new ATOM 0 HB2 ARG A 57 -8.820 7.414 0.801 1.00 42.34 H new ATOM 0 HB3 ARG A 57 -9.955 7.043 -0.480 1.00 42.34 H new ATOM 0 HG2 ARG A 57 -10.361 4.820 0.869 1.00 11.44 H new ATOM 0 HG3 ARG A 57 -9.627 5.695 2.199 1.00 11.44 H new ATOM 0 HD2 ARG A 57 -11.763 7.122 0.656 1.00 54.02 H new ATOM 0 HD3 ARG A 57 -12.277 5.783 1.663 1.00 54.02 H new ATOM 0 HE ARG A 57 -10.524 7.496 3.170 1.00 73.14 H new ATOM 0 HH11 ARG A 57 -13.772 7.320 1.803 1.00 31.43 H new ATOM 0 HH12 ARG A 57 -14.466 8.406 3.011 1.00 31.43 H new ATOM 0 HH21 ARG A 57 -11.423 8.886 4.725 1.00 53.53 H new ATOM 0 HH22 ARG A 57 -13.141 9.289 4.659 1.00 53.53 H new ATOM 803 N VAL A 58 -6.326 7.213 -0.295 1.00 51.52 N ATOM 804 CA VAL A 58 -5.011 7.652 0.157 1.00 31.22 C ATOM 805 C VAL A 58 -5.125 8.835 1.112 1.00 32.10 C ATOM 806 O VAL A 58 -5.776 9.835 0.805 1.00 22.32 O ATOM 807 CB VAL A 58 -4.114 8.050 -1.030 1.00 54.52 C ATOM 808 CG1 VAL A 58 -2.860 8.757 -0.539 1.00 70.14 C ATOM 809 CG2 VAL A 58 -3.754 6.825 -1.859 1.00 61.20 C ATOM 0 H VAL A 58 -6.778 7.845 -0.956 1.00 51.52 H new ATOM 0 HA VAL A 58 -4.558 6.809 0.679 1.00 31.22 H new ATOM 0 HB VAL A 58 -4.667 8.742 -1.665 1.00 54.52 H new ATOM 0 HG11 VAL A 58 -2.239 9.030 -1.392 1.00 70.14 H new ATOM 0 HG12 VAL A 58 -3.140 9.657 0.009 1.00 70.14 H new ATOM 0 HG13 VAL A 58 -2.301 8.091 0.118 1.00 70.14 H new ATOM 0 HG21 VAL A 58 -3.120 7.124 -2.694 1.00 61.20 H new ATOM 0 HG22 VAL A 58 -3.219 6.108 -1.236 1.00 61.20 H new ATOM 0 HG23 VAL A 58 -4.665 6.364 -2.242 1.00 61.20 H new ATOM 819 N LEU A 59 -4.486 8.717 2.271 1.00 51.31 N ATOM 820 CA LEU A 59 -4.514 9.777 3.272 1.00 60.22 C ATOM 821 C LEU A 59 -3.706 10.985 2.809 1.00 22.43 C ATOM 822 O LEU A 59 -2.832 10.884 1.948 1.00 11.20 O ATOM 823 CB LEU A 59 -3.968 9.263 4.604 1.00 1.30 C ATOM 824 CG LEU A 59 -4.839 8.243 5.339 1.00 14.40 C ATOM 825 CD1 LEU A 59 -4.214 7.870 6.674 1.00 14.11 C ATOM 826 CD2 LEU A 59 -6.245 8.790 5.540 1.00 23.11 C ATOM 0 H LEU A 59 -3.942 7.897 2.540 1.00 51.31 H new ATOM 0 HA LEU A 59 -5.550 10.087 3.408 1.00 60.22 H new ATOM 0 HB2 LEU A 59 -2.991 8.814 4.424 1.00 1.30 H new ATOM 0 HB3 LEU A 59 -3.810 10.117 5.263 1.00 1.30 H new ATOM 0 HG LEU A 59 -4.904 7.342 4.728 1.00 14.40 H new ATOM 0 HD11 LEU A 59 -4.848 7.143 7.182 1.00 14.11 H new ATOM 0 HD12 LEU A 59 -3.228 7.436 6.506 1.00 14.11 H new ATOM 0 HD13 LEU A 59 -4.117 8.762 7.292 1.00 14.11 H new ATOM 0 HD21 LEU A 59 -6.851 8.051 6.064 1.00 23.11 H new ATOM 0 HD22 LEU A 59 -6.198 9.706 6.129 1.00 23.11 H new ATOM 0 HD23 LEU A 59 -6.694 9.005 4.570 1.00 23.11 H new ATOM 837 N PRO A 60 -4.001 12.154 3.396 1.00 73.54 N ATOM 838 CA PRO A 60 -3.310 13.405 3.061 1.00 41.12 C ATOM 839 C PRO A 60 -1.865 13.415 3.545 1.00 61.11 C ATOM 840 O PRO A 60 -1.032 14.156 3.025 1.00 41.31 O ATOM 841 CB PRO A 60 -4.128 14.469 3.796 1.00 62.12 C ATOM 842 CG PRO A 60 -4.767 13.742 4.929 1.00 42.42 C ATOM 843 CD PRO A 60 -5.032 12.349 4.429 1.00 52.41 C ATOM 0 HA PRO A 60 -3.250 13.563 1.984 1.00 41.12 H new ATOM 0 HB2 PRO A 60 -3.493 15.279 4.154 1.00 62.12 H new ATOM 0 HB3 PRO A 60 -4.876 14.916 3.141 1.00 62.12 H new ATOM 0 HG2 PRO A 60 -4.113 13.726 5.801 1.00 42.42 H new ATOM 0 HG3 PRO A 60 -5.693 14.230 5.234 1.00 42.42 H new ATOM 0 HD2 PRO A 60 -4.945 11.612 5.228 1.00 52.41 H new ATOM 0 HD3 PRO A 60 -6.037 12.255 4.017 1.00 52.41 H new ATOM 848 N ASN A 61 -1.574 12.586 4.543 1.00 72.30 N ATOM 849 CA ASN A 61 -0.227 12.501 5.097 1.00 11.01 C ATOM 850 C ASN A 61 0.643 11.560 4.270 1.00 3.11 C ATOM 851 O ASN A 61 1.808 11.329 4.592 1.00 61.41 O ATOM 852 CB ASN A 61 -0.281 12.021 6.549 1.00 10.41 C ATOM 853 CG ASN A 61 -1.172 10.806 6.724 1.00 40.22 C ATOM 854 OD1 ASN A 61 -1.457 10.089 5.765 1.00 11.10 O ATOM 855 ND2 ASN A 61 -1.616 10.570 7.953 1.00 11.13 N ATOM 0 H ASN A 61 -2.252 11.964 4.984 1.00 72.30 H new ATOM 0 HA ASN A 61 0.216 13.496 5.066 1.00 11.01 H new ATOM 0 HB2 ASN A 61 0.727 11.781 6.887 1.00 10.41 H new ATOM 0 HB3 ASN A 61 -0.645 12.830 7.183 1.00 10.41 H new ATOM 0 HD21 ASN A 61 -2.219 9.767 8.132 1.00 11.13 H new ATOM 0 HD22 ASN A 61 -1.354 11.192 8.718 1.00 11.13 H new ATOM 861 N GLY A 62 0.068 11.017 3.201 1.00 53.33 N ATOM 862 CA GLY A 62 0.805 10.107 2.344 1.00 34.43 C ATOM 863 C GLY A 62 0.661 8.661 2.773 1.00 12.21 C ATOM 864 O GLY A 62 1.573 7.856 2.585 1.00 72.30 O ATOM 0 H GLY A 62 -0.895 11.191 2.913 1.00 53.33 H new ATOM 0 HA2 GLY A 62 0.454 10.215 1.318 1.00 34.43 H new ATOM 0 HA3 GLY A 62 1.860 10.381 2.350 1.00 34.43 H new ATOM 868 N SER A 63 -0.488 8.329 3.354 1.00 32.12 N ATOM 869 CA SER A 63 -0.746 6.970 3.817 1.00 14.04 C ATOM 870 C SER A 63 -1.846 6.314 2.988 1.00 72.33 C ATOM 871 O SER A 63 -2.413 6.933 2.087 1.00 53.33 O ATOM 872 CB SER A 63 -1.143 6.980 5.295 1.00 50.34 C ATOM 873 OG SER A 63 0.000 7.046 6.128 1.00 1.55 O ATOM 0 H SER A 63 -1.255 8.982 3.515 1.00 32.12 H new ATOM 0 HA SER A 63 0.170 6.391 3.697 1.00 14.04 H new ATOM 0 HB2 SER A 63 -1.792 7.832 5.495 1.00 50.34 H new ATOM 0 HB3 SER A 63 -1.715 6.082 5.527 1.00 50.34 H new ATOM 0 HG SER A 63 -0.227 7.515 6.958 1.00 1.55 H new ATOM 878 N LEU A 64 -2.141 5.058 3.298 1.00 1.35 N ATOM 879 CA LEU A 64 -3.173 4.314 2.582 1.00 53.21 C ATOM 880 C LEU A 64 -4.122 3.625 3.557 1.00 2.23 C ATOM 881 O LEU A 64 -3.688 2.944 4.487 1.00 33.02 O ATOM 882 CB LEU A 64 -2.533 3.278 1.656 1.00 21.00 C ATOM 883 CG LEU A 64 -3.418 2.098 1.257 1.00 64.31 C ATOM 884 CD1 LEU A 64 -4.655 2.584 0.517 1.00 53.03 C ATOM 885 CD2 LEU A 64 -2.638 1.110 0.403 1.00 63.03 C ATOM 0 H LEU A 64 -1.681 4.532 4.041 1.00 1.35 H new ATOM 0 HA LEU A 64 -3.747 5.021 1.983 1.00 53.21 H new ATOM 0 HB2 LEU A 64 -2.206 3.785 0.748 1.00 21.00 H new ATOM 0 HB3 LEU A 64 -1.639 2.888 2.143 1.00 21.00 H new ATOM 0 HG LEU A 64 -3.740 1.588 2.165 1.00 64.31 H new ATOM 0 HD11 LEU A 64 -5.273 1.730 0.241 1.00 53.03 H new ATOM 0 HD12 LEU A 64 -5.226 3.252 1.162 1.00 53.03 H new ATOM 0 HD13 LEU A 64 -4.353 3.120 -0.383 1.00 53.03 H new ATOM 0 HD21 LEU A 64 -3.285 0.277 0.129 1.00 63.03 H new ATOM 0 HD22 LEU A 64 -2.286 1.609 -0.500 1.00 63.03 H new ATOM 0 HD23 LEU A 64 -1.784 0.736 0.968 1.00 63.03 H new ATOM 896 N PHE A 65 -5.420 3.804 3.337 1.00 44.22 N ATOM 897 CA PHE A 65 -6.431 3.198 4.194 1.00 64.51 C ATOM 898 C PHE A 65 -7.406 2.356 3.375 1.00 21.24 C ATOM 899 O PHE A 65 -7.971 2.826 2.387 1.00 40.25 O ATOM 900 CB PHE A 65 -7.195 4.280 4.961 1.00 62.52 C ATOM 901 CG PHE A 65 -8.437 3.771 5.638 1.00 35.22 C ATOM 902 CD1 PHE A 65 -8.426 2.566 6.320 1.00 1.34 C ATOM 903 CD2 PHE A 65 -9.614 4.501 5.590 1.00 64.32 C ATOM 904 CE1 PHE A 65 -9.567 2.097 6.944 1.00 70.03 C ATOM 905 CE2 PHE A 65 -10.758 4.036 6.212 1.00 74.32 C ATOM 906 CZ PHE A 65 -10.735 2.832 6.888 1.00 35.35 C ATOM 0 H PHE A 65 -5.796 4.364 2.572 1.00 44.22 H new ATOM 0 HA PHE A 65 -5.924 2.546 4.906 1.00 64.51 H new ATOM 0 HB2 PHE A 65 -6.535 4.717 5.711 1.00 62.52 H new ATOM 0 HB3 PHE A 65 -7.468 5.079 4.272 1.00 62.52 H new ATOM 0 HD1 PHE A 65 -7.516 1.986 6.365 1.00 1.34 H new ATOM 0 HD2 PHE A 65 -9.638 5.443 5.061 1.00 64.32 H new ATOM 0 HE1 PHE A 65 -9.545 1.157 7.475 1.00 70.03 H new ATOM 0 HE2 PHE A 65 -11.669 4.614 6.169 1.00 74.32 H new ATOM 0 HZ PHE A 65 -11.628 2.466 7.372 1.00 35.35 H new ATOM 915 N LEU A 66 -7.599 1.110 3.793 1.00 20.24 N ATOM 916 CA LEU A 66 -8.505 0.201 3.099 1.00 41.22 C ATOM 917 C LEU A 66 -9.627 -0.260 4.023 1.00 12.21 C ATOM 918 O LEU A 66 -9.396 -0.682 5.156 1.00 5.05 O ATOM 919 CB LEU A 66 -7.736 -1.010 2.568 1.00 13.42 C ATOM 920 CG LEU A 66 -6.486 -0.702 1.742 1.00 25.45 C ATOM 921 CD1 LEU A 66 -5.229 -1.028 2.534 1.00 64.43 C ATOM 922 CD2 LEU A 66 -6.509 -1.475 0.432 1.00 35.21 C ATOM 0 H LEU A 66 -7.140 0.706 4.609 1.00 20.24 H new ATOM 0 HA LEU A 66 -8.948 0.739 2.261 1.00 41.22 H new ATOM 0 HB2 LEU A 66 -7.443 -1.630 3.416 1.00 13.42 H new ATOM 0 HB3 LEU A 66 -8.414 -1.606 1.956 1.00 13.42 H new ATOM 0 HG LEU A 66 -6.479 0.363 1.512 1.00 25.45 H new ATOM 0 HD11 LEU A 66 -4.350 -0.803 1.930 1.00 64.43 H new ATOM 0 HD12 LEU A 66 -5.207 -0.429 3.445 1.00 64.43 H new ATOM 0 HD13 LEU A 66 -5.228 -2.086 2.795 1.00 64.43 H new ATOM 0 HD21 LEU A 66 -5.612 -1.244 -0.143 1.00 35.21 H new ATOM 0 HD22 LEU A 66 -6.540 -2.544 0.641 1.00 35.21 H new ATOM 0 HD23 LEU A 66 -7.391 -1.192 -0.142 1.00 35.21 H new ATOM 933 N PRO A 67 -10.871 -0.181 3.529 1.00 1.30 N ATOM 934 CA PRO A 67 -12.054 -0.589 4.292 1.00 24.24 C ATOM 935 C PRO A 67 -12.124 -2.099 4.492 1.00 42.22 C ATOM 936 O PRO A 67 -12.616 -2.579 5.512 1.00 21.14 O ATOM 937 CB PRO A 67 -13.220 -0.110 3.424 1.00 0.33 C ATOM 938 CG PRO A 67 -12.669 -0.063 2.041 1.00 32.32 C ATOM 939 CD PRO A 67 -11.220 0.312 2.186 1.00 10.32 C ATOM 0 HA PRO A 67 -12.053 -0.169 5.298 1.00 24.24 H new ATOM 0 HB2 PRO A 67 -14.068 -0.792 3.489 1.00 0.33 H new ATOM 0 HB3 PRO A 67 -13.574 0.870 3.743 1.00 0.33 H new ATOM 0 HG2 PRO A 67 -12.775 -1.028 1.546 1.00 32.32 H new ATOM 0 HG3 PRO A 67 -13.202 0.668 1.433 1.00 32.32 H new ATOM 0 HD2 PRO A 67 -10.606 -0.153 1.415 1.00 10.32 H new ATOM 0 HD3 PRO A 67 -11.074 1.389 2.103 1.00 10.32 H new ATOM 944 N ALA A 68 -11.627 -2.844 3.509 1.00 61.31 N ATOM 945 CA ALA A 68 -11.631 -4.300 3.578 1.00 74.22 C ATOM 946 C ALA A 68 -10.708 -4.902 2.523 1.00 12.20 C ATOM 947 O ALA A 68 -11.062 -4.981 1.346 1.00 45.52 O ATOM 948 CB ALA A 68 -13.047 -4.832 3.408 1.00 51.21 C ATOM 0 H ALA A 68 -11.217 -2.463 2.656 1.00 61.31 H new ATOM 0 HA ALA A 68 -11.259 -4.594 4.559 1.00 74.22 H new ATOM 0 HB1 ALA A 68 -13.036 -5.921 3.462 1.00 51.21 H new ATOM 0 HB2 ALA A 68 -13.682 -4.436 4.201 1.00 51.21 H new ATOM 0 HB3 ALA A 68 -13.439 -4.521 2.440 1.00 51.21 H new ATOM 954 N VAL A 69 -9.523 -5.323 2.952 1.00 15.00 N ATOM 955 CA VAL A 69 -8.548 -5.917 2.045 1.00 72.43 C ATOM 956 C VAL A 69 -8.970 -7.321 1.628 1.00 64.41 C ATOM 957 O VAL A 69 -9.107 -8.214 2.465 1.00 64.42 O ATOM 958 CB VAL A 69 -7.150 -5.982 2.687 1.00 45.42 C ATOM 959 CG1 VAL A 69 -6.554 -4.589 2.813 1.00 21.01 C ATOM 960 CG2 VAL A 69 -7.219 -6.666 4.045 1.00 40.53 C ATOM 0 H VAL A 69 -9.215 -5.264 3.922 1.00 15.00 H new ATOM 0 HA VAL A 69 -8.505 -5.277 1.164 1.00 72.43 H new ATOM 0 HB VAL A 69 -6.500 -6.572 2.041 1.00 45.42 H new ATOM 0 HG11 VAL A 69 -5.566 -4.656 3.269 1.00 21.01 H new ATOM 0 HG12 VAL A 69 -6.468 -4.139 1.824 1.00 21.01 H new ATOM 0 HG13 VAL A 69 -7.200 -3.972 3.437 1.00 21.01 H new ATOM 0 HG21 VAL A 69 -6.222 -6.703 4.485 1.00 40.53 H new ATOM 0 HG22 VAL A 69 -7.884 -6.105 4.701 1.00 40.53 H new ATOM 0 HG23 VAL A 69 -7.600 -7.680 3.923 1.00 40.53 H new ATOM 970 N GLY A 70 -9.176 -7.511 0.328 1.00 62.42 N ATOM 971 CA GLY A 70 -9.581 -8.810 -0.178 1.00 15.25 C ATOM 972 C GLY A 70 -8.399 -9.715 -0.461 1.00 2.31 C ATOM 973 O GLY A 70 -7.261 -9.254 -0.546 1.00 60.02 O ATOM 0 H GLY A 70 -9.070 -6.788 -0.384 1.00 62.42 H new ATOM 0 HA2 GLY A 70 -10.237 -9.291 0.547 1.00 15.25 H new ATOM 0 HA3 GLY A 70 -10.160 -8.676 -1.092 1.00 15.25 H new ATOM 977 N ILE A 71 -8.668 -11.009 -0.603 1.00 2.05 N ATOM 978 CA ILE A 71 -7.617 -11.982 -0.875 1.00 21.01 C ATOM 979 C ILE A 71 -6.825 -11.599 -2.121 1.00 54.03 C ATOM 980 O ILE A 71 -5.639 -11.905 -2.232 1.00 41.22 O ATOM 981 CB ILE A 71 -8.195 -13.398 -1.063 1.00 20.44 C ATOM 982 CG1 ILE A 71 -7.165 -14.451 -0.649 1.00 24.13 C ATOM 983 CG2 ILE A 71 -8.625 -13.606 -2.508 1.00 43.41 C ATOM 984 CD1 ILE A 71 -7.094 -15.630 -1.594 1.00 13.23 C ATOM 0 H ILE A 71 -9.604 -11.407 -0.534 1.00 2.05 H new ATOM 0 HA ILE A 71 -6.954 -11.982 -0.010 1.00 21.01 H new ATOM 0 HB ILE A 71 -9.072 -13.506 -0.425 1.00 20.44 H new ATOM 0 HG12 ILE A 71 -6.182 -13.983 -0.590 1.00 24.13 H new ATOM 0 HG13 ILE A 71 -7.407 -14.811 0.351 1.00 24.13 H new ATOM 0 HG21 ILE A 71 -9.031 -14.611 -2.626 1.00 43.41 H new ATOM 0 HG22 ILE A 71 -9.388 -12.873 -2.770 1.00 43.41 H new ATOM 0 HG23 ILE A 71 -7.764 -13.484 -3.165 1.00 43.41 H new ATOM 0 HD11 ILE A 71 -6.344 -16.336 -1.239 1.00 13.23 H new ATOM 0 HD12 ILE A 71 -8.065 -16.123 -1.635 1.00 13.23 H new ATOM 0 HD13 ILE A 71 -6.822 -15.282 -2.590 1.00 13.23 H new ATOM 995 N GLN A 72 -7.489 -10.927 -3.056 1.00 24.45 N ATOM 996 CA GLN A 72 -6.847 -10.502 -4.294 1.00 30.44 C ATOM 997 C GLN A 72 -5.918 -9.319 -4.044 1.00 73.41 C ATOM 998 O GLN A 72 -4.998 -9.066 -4.823 1.00 31.24 O ATOM 999 CB GLN A 72 -7.901 -10.128 -5.336 1.00 50.44 C ATOM 1000 CG GLN A 72 -8.385 -11.308 -6.162 1.00 74.24 C ATOM 1001 CD GLN A 72 -9.507 -10.936 -7.111 1.00 73.14 C ATOM 1002 OE1 GLN A 72 -10.685 -11.091 -6.789 1.00 33.25 O ATOM 1003 NE2 GLN A 72 -9.146 -10.442 -8.290 1.00 61.50 N ATOM 0 H GLN A 72 -8.472 -10.665 -2.979 1.00 24.45 H new ATOM 0 HA GLN A 72 -6.253 -11.334 -4.672 1.00 30.44 H new ATOM 0 HB2 GLN A 72 -8.754 -9.674 -4.831 1.00 50.44 H new ATOM 0 HB3 GLN A 72 -7.487 -9.373 -6.004 1.00 50.44 H new ATOM 0 HG2 GLN A 72 -7.550 -11.713 -6.734 1.00 74.24 H new ATOM 0 HG3 GLN A 72 -8.727 -12.098 -5.494 1.00 74.24 H new ATOM 0 HE21 GLN A 72 -8.157 -10.331 -8.515 1.00 61.50 H new ATOM 0 HE22 GLN A 72 -9.857 -10.174 -8.970 1.00 61.50 H new ATOM 1010 N ASP A 73 -6.165 -8.596 -2.958 1.00 12.43 N ATOM 1011 CA ASP A 73 -5.350 -7.440 -2.606 1.00 74.52 C ATOM 1012 C ASP A 73 -4.005 -7.876 -2.034 1.00 2.35 C ATOM 1013 O ASP A 73 -3.131 -7.049 -1.775 1.00 21.44 O ATOM 1014 CB ASP A 73 -6.086 -6.557 -1.597 1.00 52.11 C ATOM 1015 CG ASP A 73 -5.453 -6.600 -0.220 1.00 4.31 C ATOM 1016 OD1 ASP A 73 -5.412 -7.696 0.381 1.00 74.44 O ATOM 1017 OD2 ASP A 73 -4.998 -5.541 0.259 1.00 32.43 O ATOM 0 H ASP A 73 -6.924 -8.790 -2.305 1.00 12.43 H new ATOM 0 HA ASP A 73 -5.168 -6.866 -3.514 1.00 74.52 H new ATOM 0 HB2 ASP A 73 -6.095 -5.528 -1.958 1.00 52.11 H new ATOM 0 HB3 ASP A 73 -7.125 -6.879 -1.526 1.00 52.11 H new ATOM 1021 N GLU A 74 -3.847 -9.181 -1.837 1.00 11.12 N ATOM 1022 CA GLU A 74 -2.609 -9.728 -1.292 1.00 12.11 C ATOM 1023 C GLU A 74 -1.424 -9.392 -2.193 1.00 41.12 C ATOM 1024 O GLU A 74 -1.540 -9.400 -3.419 1.00 11.24 O ATOM 1025 CB GLU A 74 -2.724 -11.244 -1.126 1.00 62.12 C ATOM 1026 CG GLU A 74 -2.730 -12.002 -2.443 1.00 3.54 C ATOM 1027 CD GLU A 74 -2.587 -13.500 -2.253 1.00 13.21 C ATOM 1028 OE1 GLU A 74 -1.437 -13.988 -2.233 1.00 64.11 O ATOM 1029 OE2 GLU A 74 -3.623 -14.184 -2.126 1.00 72.51 O ATOM 0 H GLU A 74 -4.560 -9.879 -2.046 1.00 11.12 H new ATOM 0 HA GLU A 74 -2.441 -9.275 -0.315 1.00 12.11 H new ATOM 0 HB2 GLU A 74 -1.893 -11.598 -0.516 1.00 62.12 H new ATOM 0 HB3 GLU A 74 -3.640 -11.473 -0.581 1.00 62.12 H new ATOM 0 HG2 GLU A 74 -3.659 -11.794 -2.974 1.00 3.54 H new ATOM 0 HG3 GLU A 74 -1.916 -11.639 -3.071 1.00 3.54 H new ATOM 1034 N GLY A 75 -0.284 -9.097 -1.577 1.00 14.12 N ATOM 1035 CA GLY A 75 0.906 -8.761 -2.337 1.00 41.24 C ATOM 1036 C GLY A 75 1.910 -7.969 -1.524 1.00 42.54 C ATOM 1037 O GLY A 75 2.093 -8.223 -0.333 1.00 44.10 O ATOM 0 H GLY A 75 -0.163 -9.085 -0.564 1.00 14.12 H new ATOM 0 HA2 GLY A 75 1.375 -9.677 -2.695 1.00 41.24 H new ATOM 0 HA3 GLY A 75 0.620 -8.185 -3.217 1.00 41.24 H new ATOM 1041 N ILE A 76 2.564 -7.009 -2.167 1.00 71.41 N ATOM 1042 CA ILE A 76 3.555 -6.177 -1.496 1.00 45.24 C ATOM 1043 C ILE A 76 3.310 -4.698 -1.771 1.00 31.45 C ATOM 1044 O ILE A 76 3.050 -4.301 -2.907 1.00 13.31 O ATOM 1045 CB ILE A 76 4.985 -6.538 -1.937 1.00 43.23 C ATOM 1046 CG1 ILE A 76 5.378 -7.914 -1.392 1.00 14.44 C ATOM 1047 CG2 ILE A 76 5.970 -5.476 -1.470 1.00 4.51 C ATOM 1048 CD1 ILE A 76 4.747 -9.065 -2.143 1.00 15.32 C ATOM 0 H ILE A 76 2.426 -6.787 -3.153 1.00 71.41 H new ATOM 0 HA ILE A 76 3.453 -6.367 -0.428 1.00 45.24 H new ATOM 0 HB ILE A 76 5.014 -6.577 -3.026 1.00 43.23 H new ATOM 0 HG12 ILE A 76 6.463 -8.015 -1.433 1.00 14.44 H new ATOM 0 HG13 ILE A 76 5.091 -7.975 -0.342 1.00 14.44 H new ATOM 0 HG21 ILE A 76 6.976 -5.747 -1.790 1.00 4.51 H new ATOM 0 HG22 ILE A 76 5.699 -4.513 -1.902 1.00 4.51 H new ATOM 0 HG23 ILE A 76 5.942 -5.407 -0.383 1.00 4.51 H new ATOM 0 HD11 ILE A 76 5.070 -10.008 -1.702 1.00 15.32 H new ATOM 0 HD12 ILE A 76 3.661 -8.988 -2.081 1.00 15.32 H new ATOM 0 HD13 ILE A 76 5.054 -9.029 -3.188 1.00 15.32 H new ATOM 1059 N PHE A 77 3.396 -3.885 -0.723 1.00 5.03 N ATOM 1060 CA PHE A 77 3.182 -2.447 -0.850 1.00 40.45 C ATOM 1061 C PHE A 77 4.514 -1.701 -0.868 1.00 44.41 C ATOM 1062 O PHE A 77 5.349 -1.880 0.019 1.00 72.22 O ATOM 1063 CB PHE A 77 2.312 -1.934 0.298 1.00 11.23 C ATOM 1064 CG PHE A 77 2.601 -0.511 0.681 1.00 52.14 C ATOM 1065 CD1 PHE A 77 2.645 0.484 -0.283 1.00 23.21 C ATOM 1066 CD2 PHE A 77 2.830 -0.168 2.003 1.00 60.41 C ATOM 1067 CE1 PHE A 77 2.911 1.794 0.066 1.00 65.22 C ATOM 1068 CE2 PHE A 77 3.096 1.141 2.358 1.00 53.30 C ATOM 1069 CZ PHE A 77 3.136 2.124 1.388 1.00 42.11 C ATOM 0 H PHE A 77 3.612 -4.197 0.224 1.00 5.03 H new ATOM 0 HA PHE A 77 2.668 -2.263 -1.793 1.00 40.45 H new ATOM 0 HB2 PHE A 77 1.263 -2.019 0.014 1.00 11.23 H new ATOM 0 HB3 PHE A 77 2.460 -2.573 1.169 1.00 11.23 H new ATOM 0 HD1 PHE A 77 2.469 0.232 -1.318 1.00 23.21 H new ATOM 0 HD2 PHE A 77 2.800 -0.932 2.765 1.00 60.41 H new ATOM 0 HE1 PHE A 77 2.943 2.560 -0.695 1.00 65.22 H new ATOM 0 HE2 PHE A 77 3.272 1.395 3.393 1.00 53.30 H new ATOM 0 HZ PHE A 77 3.343 3.148 1.663 1.00 42.11 H new ATOM 1078 N ARG A 78 4.704 -0.864 -1.883 1.00 43.30 N ATOM 1079 CA ARG A 78 5.932 -0.092 -2.017 1.00 35.22 C ATOM 1080 C ARG A 78 5.627 1.398 -2.142 1.00 34.01 C ATOM 1081 O ARG A 78 4.774 1.805 -2.930 1.00 42.23 O ATOM 1082 CB ARG A 78 6.727 -0.564 -3.236 1.00 32.25 C ATOM 1083 CG ARG A 78 8.149 -0.989 -2.909 1.00 74.55 C ATOM 1084 CD ARG A 78 9.166 -0.001 -3.462 1.00 43.51 C ATOM 1085 NE ARG A 78 9.426 -0.222 -4.881 1.00 63.43 N ATOM 1086 CZ ARG A 78 9.600 0.761 -5.758 1.00 74.31 C ATOM 1087 NH1 ARG A 78 9.543 2.026 -5.362 1.00 44.13 N ATOM 1088 NH2 ARG A 78 9.835 0.482 -7.034 1.00 64.35 N ATOM 0 H ARG A 78 4.022 -0.704 -2.625 1.00 43.30 H new ATOM 0 HA ARG A 78 6.529 -0.249 -1.119 1.00 35.22 H new ATOM 0 HB2 ARG A 78 6.204 -1.401 -3.698 1.00 32.25 H new ATOM 0 HB3 ARG A 78 6.757 0.239 -3.973 1.00 32.25 H new ATOM 0 HG2 ARG A 78 8.267 -1.068 -1.828 1.00 74.55 H new ATOM 0 HG3 ARG A 78 8.339 -1.979 -3.324 1.00 74.55 H new ATOM 0 HD2 ARG A 78 8.802 1.016 -3.314 1.00 43.51 H new ATOM 0 HD3 ARG A 78 10.098 -0.090 -2.904 1.00 43.51 H new ATOM 0 HE ARG A 78 9.477 -1.183 -5.218 1.00 63.43 H new ATOM 0 HH11 ARG A 78 9.365 2.246 -4.382 1.00 44.13 H new ATOM 0 HH12 ARG A 78 9.677 2.778 -6.038 1.00 44.13 H new ATOM 0 HH21 ARG A 78 9.882 -0.489 -7.343 1.00 64.35 H new ATOM 0 HH22 ARG A 78 9.968 1.238 -7.705 1.00 64.35 H new ATOM 1099 N CYS A 79 6.329 2.208 -1.357 1.00 75.20 N ATOM 1100 CA CYS A 79 6.134 3.654 -1.377 1.00 62.14 C ATOM 1101 C CYS A 79 7.440 4.374 -1.698 1.00 11.11 C ATOM 1102 O CYS A 79 8.524 3.888 -1.377 1.00 24.14 O ATOM 1103 CB CYS A 79 5.589 4.134 -0.031 1.00 52.45 C ATOM 1104 SG CYS A 79 4.377 5.487 -0.160 1.00 65.42 S ATOM 0 H CYS A 79 7.039 1.888 -0.698 1.00 75.20 H new ATOM 0 HA CYS A 79 5.410 3.888 -2.158 1.00 62.14 H new ATOM 0 HB2 CYS A 79 5.124 3.292 0.482 1.00 52.45 H new ATOM 0 HB3 CYS A 79 6.422 4.465 0.589 1.00 52.45 H new ATOM 1108 N GLN A 80 7.327 5.536 -2.334 1.00 10.11 N ATOM 1109 CA GLN A 80 8.500 6.324 -2.699 1.00 25.00 C ATOM 1110 C GLN A 80 8.178 7.815 -2.686 1.00 1.13 C ATOM 1111 O GLN A 80 7.237 8.263 -3.339 1.00 4.03 O ATOM 1112 CB GLN A 80 9.007 5.911 -4.081 1.00 13.40 C ATOM 1113 CG GLN A 80 10.202 6.721 -4.556 1.00 3.11 C ATOM 1114 CD GLN A 80 10.604 6.389 -5.980 1.00 32.41 C ATOM 1115 OE1 GLN A 80 11.754 6.043 -6.248 1.00 54.11 O ATOM 1116 NE2 GLN A 80 9.653 6.493 -6.902 1.00 50.21 N ATOM 0 H GLN A 80 6.437 5.953 -2.607 1.00 10.11 H new ATOM 0 HA GLN A 80 9.280 6.133 -1.962 1.00 25.00 H new ATOM 0 HB2 GLN A 80 9.279 4.856 -4.059 1.00 13.40 H new ATOM 0 HB3 GLN A 80 8.197 6.016 -4.803 1.00 13.40 H new ATOM 0 HG2 GLN A 80 9.967 7.783 -4.487 1.00 3.11 H new ATOM 0 HG3 GLN A 80 11.047 6.538 -3.892 1.00 3.11 H new ATOM 0 HE21 GLN A 80 8.713 6.784 -6.634 1.00 50.21 H new ATOM 0 HE22 GLN A 80 9.863 6.282 -7.878 1.00 50.21 H new ATOM 1123 N ALA A 81 8.967 8.577 -1.936 1.00 52.40 N ATOM 1124 CA ALA A 81 8.768 10.018 -1.838 1.00 72.51 C ATOM 1125 C ALA A 81 10.079 10.769 -2.048 1.00 60.52 C ATOM 1126 O ALA A 81 11.159 10.185 -1.966 1.00 32.30 O ATOM 1127 CB ALA A 81 8.161 10.378 -0.490 1.00 5.52 C ATOM 0 H ALA A 81 9.750 8.221 -1.388 1.00 52.40 H new ATOM 0 HA ALA A 81 8.077 10.318 -2.626 1.00 72.51 H new ATOM 0 HB1 ALA A 81 8.018 11.457 -0.432 1.00 5.52 H new ATOM 0 HB2 ALA A 81 7.199 9.878 -0.379 1.00 5.52 H new ATOM 0 HB3 ALA A 81 8.831 10.057 0.308 1.00 5.52 H new ATOM 1133 N MET A 82 9.976 12.066 -2.317 1.00 23.22 N ATOM 1134 CA MET A 82 11.154 12.896 -2.538 1.00 11.14 C ATOM 1135 C MET A 82 11.048 14.207 -1.765 1.00 54.13 C ATOM 1136 O MET A 82 10.074 14.946 -1.909 1.00 32.11 O ATOM 1137 CB MET A 82 11.331 13.182 -4.030 1.00 51.11 C ATOM 1138 CG MET A 82 12.198 12.159 -4.746 1.00 31.32 C ATOM 1139 SD MET A 82 11.241 11.068 -5.817 1.00 14.14 S ATOM 1140 CE MET A 82 12.244 9.584 -5.769 1.00 63.31 C ATOM 0 H MET A 82 9.089 12.565 -2.387 1.00 23.22 H new ATOM 0 HA MET A 82 12.025 12.351 -2.175 1.00 11.14 H new ATOM 0 HB2 MET A 82 10.350 13.211 -4.505 1.00 51.11 H new ATOM 0 HB3 MET A 82 11.774 14.171 -4.152 1.00 51.11 H new ATOM 0 HG2 MET A 82 12.950 12.678 -5.341 1.00 31.32 H new ATOM 0 HG3 MET A 82 12.732 11.561 -4.008 1.00 31.32 H new ATOM 0 HE1 MET A 82 12.151 9.051 -6.715 1.00 63.31 H new ATOM 0 HE2 MET A 82 13.287 9.855 -5.606 1.00 63.31 H new ATOM 0 HE3 MET A 82 11.905 8.942 -4.956 1.00 63.31 H new ATOM 1148 N ASN A 83 12.055 14.491 -0.947 1.00 25.32 N ATOM 1149 CA ASN A 83 12.074 15.713 -0.151 1.00 23.31 C ATOM 1150 C ASN A 83 12.674 16.869 -0.945 1.00 3.35 C ATOM 1151 O ASN A 83 13.221 16.673 -2.030 1.00 43.14 O ATOM 1152 CB ASN A 83 12.870 15.496 1.138 1.00 63.35 C ATOM 1153 CG ASN A 83 12.664 14.109 1.717 1.00 31.01 C ATOM 1154 OD1 ASN A 83 13.596 13.308 1.783 1.00 52.34 O ATOM 1155 ND2 ASN A 83 11.440 13.821 2.141 1.00 70.43 N ATOM 0 H ASN A 83 12.870 13.891 -0.817 1.00 25.32 H new ATOM 0 HA ASN A 83 11.045 15.966 0.105 1.00 23.31 H new ATOM 0 HB2 ASN A 83 13.930 15.649 0.937 1.00 63.35 H new ATOM 0 HB3 ASN A 83 12.574 16.242 1.875 1.00 63.35 H new ATOM 0 HD21 ASN A 83 11.242 12.904 2.541 1.00 70.43 H new ATOM 0 HD22 ASN A 83 10.698 14.517 2.067 1.00 70.43 H new ATOM 1161 N ARG A 84 12.571 18.075 -0.394 1.00 44.01 N ATOM 1162 CA ARG A 84 13.104 19.263 -1.050 1.00 52.10 C ATOM 1163 C ARG A 84 14.627 19.281 -0.988 1.00 41.31 C ATOM 1164 O ARG A 84 15.282 19.988 -1.753 1.00 51.22 O ATOM 1165 CB ARG A 84 12.541 20.527 -0.399 1.00 5.03 C ATOM 1166 CG ARG A 84 12.921 20.679 1.065 1.00 1.14 C ATOM 1167 CD ARG A 84 11.905 21.521 1.820 1.00 21.33 C ATOM 1168 NE ARG A 84 12.300 21.740 3.210 1.00 52.24 N ATOM 1169 CZ ARG A 84 12.240 20.802 4.148 1.00 1.02 C ATOM 1170 NH1 ARG A 84 11.804 19.586 3.848 1.00 72.25 N ATOM 1171 NH2 ARG A 84 12.618 21.078 5.390 1.00 62.45 N ATOM 0 H ARG A 84 12.123 18.255 0.505 1.00 44.01 H new ATOM 0 HA ARG A 84 12.801 19.236 -2.097 1.00 52.10 H new ATOM 0 HB2 ARG A 84 12.896 21.398 -0.950 1.00 5.03 H new ATOM 0 HB3 ARG A 84 11.454 20.516 -0.484 1.00 5.03 H new ATOM 0 HG2 ARG A 84 12.994 19.694 1.527 1.00 1.14 H new ATOM 0 HG3 ARG A 84 13.906 21.141 1.140 1.00 1.14 H new ATOM 0 HD2 ARG A 84 11.788 22.483 1.320 1.00 21.33 H new ATOM 0 HD3 ARG A 84 10.933 21.028 1.793 1.00 21.33 H new ATOM 0 HE ARG A 84 12.641 22.664 3.474 1.00 52.24 H new ATOM 0 HH11 ARG A 84 11.514 19.369 2.895 1.00 72.25 H new ATOM 0 HH12 ARG A 84 11.759 18.868 4.571 1.00 72.25 H new ATOM 0 HH21 ARG A 84 12.955 22.012 5.625 1.00 62.45 H new ATOM 0 HH22 ARG A 84 12.571 20.357 6.110 1.00 62.45 H new ATOM 1182 N ASN A 85 15.187 18.499 -0.071 1.00 22.04 N ATOM 1183 CA ASN A 85 16.635 18.426 0.092 1.00 4.25 C ATOM 1184 C ASN A 85 17.273 17.653 -1.057 1.00 5.40 C ATOM 1185 O ASN A 85 18.470 17.779 -1.315 1.00 21.41 O ATOM 1186 CB ASN A 85 16.985 17.762 1.427 1.00 54.54 C ATOM 1187 CG ASN A 85 16.917 18.732 2.589 1.00 24.15 C ATOM 1188 OD1 ASN A 85 16.045 18.625 3.452 1.00 64.32 O ATOM 1189 ND2 ASN A 85 17.840 19.686 2.620 1.00 2.33 N ATOM 0 H ASN A 85 14.660 17.907 0.571 1.00 22.04 H new ATOM 0 HA ASN A 85 17.029 19.442 0.085 1.00 4.25 H new ATOM 0 HB2 ASN A 85 16.300 16.933 1.608 1.00 54.54 H new ATOM 0 HB3 ASN A 85 17.988 17.340 1.368 1.00 54.54 H new ATOM 0 HD21 ASN A 85 17.845 20.367 3.380 1.00 2.33 H new ATOM 0 HD22 ASN A 85 18.545 19.738 1.884 1.00 2.33 H new ATOM 1195 N GLY A 86 16.466 16.851 -1.745 1.00 42.23 N ATOM 1196 CA GLY A 86 16.969 16.070 -2.858 1.00 42.34 C ATOM 1197 C GLY A 86 17.026 14.586 -2.548 1.00 73.30 C ATOM 1198 O GLY A 86 17.234 13.764 -3.441 1.00 60.21 O ATOM 0 H GLY A 86 15.472 16.729 -1.551 1.00 42.23 H new ATOM 0 HA2 GLY A 86 16.333 16.232 -3.728 1.00 42.34 H new ATOM 0 HA3 GLY A 86 17.966 16.421 -3.123 1.00 42.34 H new ATOM 1202 N LYS A 87 16.844 14.243 -1.277 1.00 52.20 N ATOM 1203 CA LYS A 87 16.877 12.849 -0.850 1.00 23.31 C ATOM 1204 C LYS A 87 15.515 12.189 -1.041 1.00 62.22 C ATOM 1205 O LYS A 87 14.477 12.830 -0.879 1.00 11.05 O ATOM 1206 CB LYS A 87 17.299 12.755 0.618 1.00 60.12 C ATOM 1207 CG LYS A 87 18.556 13.542 0.941 1.00 14.02 C ATOM 1208 CD LYS A 87 19.391 12.849 2.005 1.00 75.55 C ATOM 1209 CE LYS A 87 20.340 11.831 1.393 1.00 72.22 C ATOM 1210 NZ LYS A 87 21.543 11.610 2.243 1.00 30.43 N ATOM 0 H LYS A 87 16.672 14.911 -0.525 1.00 52.20 H new ATOM 0 HA LYS A 87 17.606 12.323 -1.467 1.00 23.31 H new ATOM 0 HB2 LYS A 87 16.484 13.115 1.245 1.00 60.12 H new ATOM 0 HB3 LYS A 87 17.460 11.708 0.875 1.00 60.12 H new ATOM 0 HG2 LYS A 87 19.150 13.668 0.036 1.00 14.02 H new ATOM 0 HG3 LYS A 87 18.283 14.540 1.284 1.00 14.02 H new ATOM 0 HD2 LYS A 87 19.962 13.592 2.562 1.00 75.55 H new ATOM 0 HD3 LYS A 87 18.734 12.352 2.719 1.00 75.55 H new ATOM 0 HE2 LYS A 87 19.816 10.885 1.253 1.00 72.22 H new ATOM 0 HE3 LYS A 87 20.651 12.173 0.406 1.00 72.22 H new ATOM 0 HZ1 LYS A 87 22.164 10.909 1.790 1.00 30.43 H new ATOM 0 HZ2 LYS A 87 22.057 12.507 2.356 1.00 30.43 H new ATOM 0 HZ3 LYS A 87 21.249 11.259 3.177 1.00 30.43 H new ATOM 1220 N GLU A 88 15.527 10.905 -1.386 1.00 34.55 N ATOM 1221 CA GLU A 88 14.292 10.161 -1.598 1.00 24.11 C ATOM 1222 C GLU A 88 14.032 9.197 -0.442 1.00 65.45 C ATOM 1223 O GLU A 88 14.964 8.637 0.137 1.00 62.44 O ATOM 1224 CB GLU A 88 14.355 9.388 -2.916 1.00 43.53 C ATOM 1225 CG GLU A 88 15.086 8.059 -2.808 1.00 25.11 C ATOM 1226 CD GLU A 88 15.241 7.368 -4.149 1.00 3.31 C ATOM 1227 OE1 GLU A 88 14.257 6.764 -4.622 1.00 41.23 O ATOM 1228 OE2 GLU A 88 16.348 7.432 -4.725 1.00 60.32 O ATOM 0 H GLU A 88 16.378 10.359 -1.524 1.00 34.55 H new ATOM 0 HA GLU A 88 13.471 10.876 -1.644 1.00 24.11 H new ATOM 0 HB2 GLU A 88 13.340 9.207 -3.270 1.00 43.53 H new ATOM 0 HB3 GLU A 88 14.849 10.005 -3.666 1.00 43.53 H new ATOM 0 HG2 GLU A 88 16.072 8.225 -2.373 1.00 25.11 H new ATOM 0 HG3 GLU A 88 14.543 7.404 -2.127 1.00 25.11 H new ATOM 1233 N THR A 89 12.759 9.009 -0.112 1.00 43.21 N ATOM 1234 CA THR A 89 12.375 8.115 0.974 1.00 61.10 C ATOM 1235 C THR A 89 11.885 6.774 0.436 1.00 33.34 C ATOM 1236 O THR A 89 10.988 6.723 -0.405 1.00 42.42 O ATOM 1237 CB THR A 89 11.273 8.737 1.851 1.00 23.44 C ATOM 1238 OG1 THR A 89 11.033 10.091 1.450 1.00 0.23 O ATOM 1239 CG2 THR A 89 11.665 8.700 3.321 1.00 75.33 C ATOM 0 H THR A 89 11.976 9.464 -0.581 1.00 43.21 H new ATOM 0 HA THR A 89 13.266 7.956 1.582 1.00 61.10 H new ATOM 0 HB THR A 89 10.362 8.153 1.719 1.00 23.44 H new ATOM 0 HG1 THR A 89 11.051 10.674 2.238 1.00 0.23 H new ATOM 0 HG21 THR A 89 10.871 9.145 3.921 1.00 75.33 H new ATOM 0 HG22 THR A 89 11.818 7.666 3.631 1.00 75.33 H new ATOM 0 HG23 THR A 89 12.587 9.262 3.466 1.00 75.33 H new ATOM 1247 N LYS A 90 12.478 5.693 0.928 1.00 43.51 N ATOM 1248 CA LYS A 90 12.100 4.351 0.500 1.00 53.41 C ATOM 1249 C LYS A 90 11.281 3.646 1.575 1.00 64.14 C ATOM 1250 O LYS A 90 11.629 3.679 2.756 1.00 32.40 O ATOM 1251 CB LYS A 90 13.348 3.528 0.173 1.00 1.42 C ATOM 1252 CG LYS A 90 14.493 4.354 -0.387 1.00 15.35 C ATOM 1253 CD LYS A 90 15.332 3.553 -1.369 1.00 33.23 C ATOM 1254 CE LYS A 90 15.057 3.971 -2.805 1.00 34.21 C ATOM 1255 NZ LYS A 90 16.235 4.639 -3.424 1.00 33.15 N ATOM 0 H LYS A 90 13.223 5.719 1.624 1.00 43.51 H new ATOM 0 HA LYS A 90 11.486 4.443 -0.396 1.00 53.41 H new ATOM 0 HB2 LYS A 90 13.685 3.021 1.077 1.00 1.42 H new ATOM 0 HB3 LYS A 90 13.084 2.754 -0.547 1.00 1.42 H new ATOM 0 HG2 LYS A 90 14.095 5.239 -0.884 1.00 15.35 H new ATOM 0 HG3 LYS A 90 15.124 4.704 0.430 1.00 15.35 H new ATOM 0 HD2 LYS A 90 16.389 3.692 -1.144 1.00 33.23 H new ATOM 0 HD3 LYS A 90 15.118 2.491 -1.251 1.00 33.23 H new ATOM 0 HE2 LYS A 90 14.787 3.094 -3.393 1.00 34.21 H new ATOM 0 HE3 LYS A 90 14.202 4.647 -2.829 1.00 34.21 H new ATOM 0 HZ1 LYS A 90 15.991 4.954 -4.385 1.00 33.15 H new ATOM 0 HZ2 LYS A 90 16.509 5.461 -2.849 1.00 33.15 H new ATOM 0 HZ3 LYS A 90 17.029 3.969 -3.471 1.00 33.15 H new ATOM 1265 N SER A 91 10.191 3.008 1.160 1.00 32.22 N ATOM 1266 CA SER A 91 9.321 2.297 2.090 1.00 52.23 C ATOM 1267 C SER A 91 8.748 1.039 1.442 1.00 21.44 C ATOM 1268 O SER A 91 8.056 1.111 0.427 1.00 52.33 O ATOM 1269 CB SER A 91 8.183 3.209 2.555 1.00 53.20 C ATOM 1270 OG SER A 91 8.679 4.287 3.329 1.00 50.11 O ATOM 0 H SER A 91 9.889 2.969 0.186 1.00 32.22 H new ATOM 0 HA SER A 91 9.916 2.002 2.954 1.00 52.23 H new ATOM 0 HB2 SER A 91 7.645 3.596 1.689 1.00 53.20 H new ATOM 0 HB3 SER A 91 7.468 2.633 3.143 1.00 53.20 H new ATOM 0 HG SER A 91 8.313 5.130 2.988 1.00 50.11 H new ATOM 1275 N ASN A 92 9.041 -0.111 2.039 1.00 73.13 N ATOM 1276 CA ASN A 92 8.557 -1.385 1.522 1.00 45.12 C ATOM 1277 C ASN A 92 7.906 -2.209 2.629 1.00 42.30 C ATOM 1278 O ASN A 92 8.543 -2.536 3.630 1.00 13.43 O ATOM 1279 CB ASN A 92 9.706 -2.175 0.891 1.00 73.51 C ATOM 1280 CG ASN A 92 9.222 -3.184 -0.132 1.00 25.15 C ATOM 1281 OD1 ASN A 92 9.544 -3.088 -1.316 1.00 62.51 O ATOM 1282 ND2 ASN A 92 8.443 -4.160 0.323 1.00 32.12 N ATOM 0 H ASN A 92 9.611 -0.187 2.881 1.00 73.13 H new ATOM 0 HA ASN A 92 7.807 -1.177 0.759 1.00 45.12 H new ATOM 0 HB2 ASN A 92 10.400 -1.483 0.414 1.00 73.51 H new ATOM 0 HB3 ASN A 92 10.260 -2.693 1.674 1.00 73.51 H new ATOM 0 HD21 ASN A 92 8.087 -4.869 -0.318 1.00 32.12 H new ATOM 0 HD22 ASN A 92 8.202 -4.200 1.313 1.00 32.12 H new ATOM 1288 N TYR A 93 6.634 -2.545 2.439 1.00 11.24 N ATOM 1289 CA TYR A 93 5.897 -3.331 3.422 1.00 10.31 C ATOM 1290 C TYR A 93 5.163 -4.489 2.755 1.00 42.53 C ATOM 1291 O TYR A 93 4.414 -4.296 1.798 1.00 60.35 O ATOM 1292 CB TYR A 93 4.899 -2.444 4.169 1.00 24.33 C ATOM 1293 CG TYR A 93 5.554 -1.382 5.023 1.00 32.33 C ATOM 1294 CD1 TYR A 93 6.228 -0.314 4.444 1.00 71.33 C ATOM 1295 CD2 TYR A 93 5.498 -1.445 6.411 1.00 73.13 C ATOM 1296 CE1 TYR A 93 6.829 0.658 5.220 1.00 61.44 C ATOM 1297 CE2 TYR A 93 6.094 -0.476 7.194 1.00 21.51 C ATOM 1298 CZ TYR A 93 6.758 0.573 6.595 1.00 71.31 C ATOM 1299 OH TYR A 93 7.353 1.540 7.371 1.00 71.23 O ATOM 0 H TYR A 93 6.093 -2.286 1.614 1.00 11.24 H new ATOM 0 HA TYR A 93 6.614 -3.741 4.133 1.00 10.31 H new ATOM 0 HB2 TYR A 93 4.242 -1.962 3.445 1.00 24.33 H new ATOM 0 HB3 TYR A 93 4.271 -3.071 4.802 1.00 24.33 H new ATOM 0 HD1 TYR A 93 6.283 -0.242 3.368 1.00 71.33 H new ATOM 0 HD2 TYR A 93 4.980 -2.266 6.885 1.00 73.13 H new ATOM 0 HE1 TYR A 93 7.351 1.480 4.753 1.00 61.44 H new ATOM 0 HE2 TYR A 93 6.040 -0.540 8.271 1.00 21.51 H new ATOM 0 HH TYR A 93 7.210 1.333 8.318 1.00 71.23 H new ATOM 1308 N ARG A 94 5.386 -5.695 3.267 1.00 53.52 N ATOM 1309 CA ARG A 94 4.748 -6.886 2.722 1.00 41.20 C ATOM 1310 C ARG A 94 3.349 -7.070 3.304 1.00 15.23 C ATOM 1311 O ARG A 94 3.138 -6.901 4.505 1.00 2.01 O ATOM 1312 CB ARG A 94 5.598 -8.125 3.010 1.00 13.13 C ATOM 1313 CG ARG A 94 7.093 -7.875 2.906 1.00 12.23 C ATOM 1314 CD ARG A 94 7.507 -7.555 1.478 1.00 22.20 C ATOM 1315 NE ARG A 94 7.831 -8.759 0.721 1.00 52.25 N ATOM 1316 CZ ARG A 94 8.916 -9.495 0.938 1.00 51.24 C ATOM 1317 NH1 ARG A 94 9.774 -9.151 1.886 1.00 11.21 N ATOM 1318 NH2 ARG A 94 9.142 -10.579 0.205 1.00 63.14 N ATOM 0 H ARG A 94 6.004 -5.873 4.059 1.00 53.52 H new ATOM 0 HA ARG A 94 4.660 -6.757 1.643 1.00 41.20 H new ATOM 0 HB2 ARG A 94 5.368 -8.488 4.012 1.00 13.13 H new ATOM 0 HB3 ARG A 94 5.321 -8.915 2.313 1.00 13.13 H new ATOM 0 HG2 ARG A 94 7.371 -7.049 3.560 1.00 12.23 H new ATOM 0 HG3 ARG A 94 7.635 -8.754 3.255 1.00 12.23 H new ATOM 0 HD2 ARG A 94 6.701 -7.018 0.978 1.00 22.20 H new ATOM 0 HD3 ARG A 94 8.371 -6.891 1.491 1.00 22.20 H new ATOM 0 HE ARG A 94 7.189 -9.052 -0.016 1.00 52.25 H new ATOM 0 HH11 ARG A 94 9.603 -8.320 2.452 1.00 11.21 H new ATOM 0 HH12 ARG A 94 10.606 -9.717 2.051 1.00 11.21 H new ATOM 0 HH21 ARG A 94 8.483 -10.847 -0.525 1.00 63.14 H new ATOM 0 HH22 ARG A 94 9.975 -11.143 0.372 1.00 63.14 H new ATOM 1329 N VAL A 95 2.396 -7.416 2.444 1.00 5.33 N ATOM 1330 CA VAL A 95 1.017 -7.622 2.873 1.00 74.15 C ATOM 1331 C VAL A 95 0.555 -9.043 2.571 1.00 62.12 C ATOM 1332 O VAL A 95 0.715 -9.534 1.453 1.00 21.40 O ATOM 1333 CB VAL A 95 0.062 -6.627 2.189 1.00 33.24 C ATOM 1334 CG1 VAL A 95 -1.386 -6.981 2.493 1.00 62.31 C ATOM 1335 CG2 VAL A 95 0.374 -5.203 2.627 1.00 20.41 C ATOM 0 H VAL A 95 2.553 -7.560 1.446 1.00 5.33 H new ATOM 0 HA VAL A 95 0.992 -7.456 3.950 1.00 74.15 H new ATOM 0 HB VAL A 95 0.208 -6.692 1.111 1.00 33.24 H new ATOM 0 HG11 VAL A 95 -2.046 -6.267 2.001 1.00 62.31 H new ATOM 0 HG12 VAL A 95 -1.600 -7.985 2.126 1.00 62.31 H new ATOM 0 HG13 VAL A 95 -1.551 -6.945 3.570 1.00 62.31 H new ATOM 0 HG21 VAL A 95 -0.310 -4.513 2.134 1.00 20.41 H new ATOM 0 HG22 VAL A 95 0.257 -5.121 3.708 1.00 20.41 H new ATOM 0 HG23 VAL A 95 1.399 -4.955 2.353 1.00 20.41 H new ATOM 1345 N ARG A 96 -0.020 -9.698 3.573 1.00 1.41 N ATOM 1346 CA ARG A 96 -0.505 -11.064 3.415 1.00 23.45 C ATOM 1347 C ARG A 96 -1.923 -11.204 3.961 1.00 1.00 C ATOM 1348 O ARG A 96 -2.205 -10.814 5.095 1.00 71.23 O ATOM 1349 CB ARG A 96 0.426 -12.046 4.129 1.00 51.51 C ATOM 1350 CG ARG A 96 0.864 -13.212 3.258 1.00 31.11 C ATOM 1351 CD ARG A 96 -0.249 -14.235 3.097 1.00 44.54 C ATOM 1352 NE ARG A 96 -0.737 -14.721 4.384 1.00 3.55 N ATOM 1353 CZ ARG A 96 -0.067 -15.577 5.148 1.00 11.23 C ATOM 1354 NH1 ARG A 96 1.112 -16.039 4.756 1.00 41.54 N ATOM 1355 NH2 ARG A 96 -0.577 -15.973 6.308 1.00 20.25 N ATOM 0 H ARG A 96 -0.162 -9.305 4.504 1.00 1.41 H new ATOM 0 HA ARG A 96 -0.519 -11.296 2.350 1.00 23.45 H new ATOM 0 HB2 ARG A 96 1.310 -11.510 4.475 1.00 51.51 H new ATOM 0 HB3 ARG A 96 -0.078 -12.434 5.014 1.00 51.51 H new ATOM 0 HG2 ARG A 96 1.165 -12.843 2.278 1.00 31.11 H new ATOM 0 HG3 ARG A 96 1.738 -13.690 3.700 1.00 31.11 H new ATOM 0 HD2 ARG A 96 -1.074 -13.788 2.542 1.00 44.54 H new ATOM 0 HD3 ARG A 96 0.114 -15.076 2.506 1.00 44.54 H new ATOM 0 HE ARG A 96 -1.642 -14.385 4.715 1.00 3.55 H new ATOM 0 HH11 ARG A 96 1.507 -15.737 3.865 1.00 41.54 H new ATOM 0 HH12 ARG A 96 1.624 -16.696 5.345 1.00 41.54 H new ATOM 0 HH21 ARG A 96 -1.484 -15.620 6.613 1.00 20.25 H new ATOM 0 HH22 ARG A 96 -0.062 -16.630 6.894 1.00 20.25 H new ATOM 1366 N VAL A 97 -2.814 -11.763 3.147 1.00 14.45 N ATOM 1367 CA VAL A 97 -4.201 -11.954 3.548 1.00 23.24 C ATOM 1368 C VAL A 97 -4.415 -13.341 4.143 1.00 65.24 C ATOM 1369 O VAL A 97 -3.472 -14.120 4.285 1.00 32.05 O ATOM 1370 CB VAL A 97 -5.161 -11.764 2.359 1.00 72.22 C ATOM 1371 CG1 VAL A 97 -4.968 -10.393 1.730 1.00 30.12 C ATOM 1372 CG2 VAL A 97 -4.956 -12.865 1.329 1.00 21.20 C ATOM 0 H VAL A 97 -2.598 -12.091 2.206 1.00 14.45 H new ATOM 0 HA VAL A 97 -4.418 -11.200 4.304 1.00 23.24 H new ATOM 0 HB VAL A 97 -6.185 -11.827 2.727 1.00 72.22 H new ATOM 0 HG11 VAL A 97 -5.655 -10.277 0.892 1.00 30.12 H new ATOM 0 HG12 VAL A 97 -5.168 -9.621 2.473 1.00 30.12 H new ATOM 0 HG13 VAL A 97 -3.942 -10.297 1.374 1.00 30.12 H new ATOM 0 HG21 VAL A 97 -5.642 -12.716 0.495 1.00 21.20 H new ATOM 0 HG22 VAL A 97 -3.929 -12.835 0.964 1.00 21.20 H new ATOM 0 HG23 VAL A 97 -5.149 -13.834 1.789 1.00 21.20 H new ATOM 1382 N TYR A 98 -5.661 -13.646 4.489 1.00 62.11 N ATOM 1383 CA TYR A 98 -5.999 -14.939 5.071 1.00 73.44 C ATOM 1384 C TYR A 98 -5.713 -16.070 4.087 1.00 73.54 C ATOM 1385 O TYR A 98 -4.789 -16.859 4.284 1.00 64.31 O ATOM 1386 CB TYR A 98 -7.472 -14.967 5.483 1.00 63.43 C ATOM 1387 CG TYR A 98 -7.757 -15.890 6.646 1.00 23.10 C ATOM 1388 CD1 TYR A 98 -7.068 -15.761 7.845 1.00 62.12 C ATOM 1389 CD2 TYR A 98 -8.717 -16.889 6.547 1.00 44.03 C ATOM 1390 CE1 TYR A 98 -7.325 -16.601 8.911 1.00 64.14 C ATOM 1391 CE2 TYR A 98 -8.982 -17.734 7.606 1.00 12.55 C ATOM 1392 CZ TYR A 98 -8.283 -17.585 8.786 1.00 3.53 C ATOM 1393 OH TYR A 98 -8.542 -18.426 9.846 1.00 10.03 O ATOM 0 H TYR A 98 -6.454 -13.015 4.376 1.00 62.11 H new ATOM 0 HA TYR A 98 -5.379 -15.085 5.955 1.00 73.44 H new ATOM 0 HB2 TYR A 98 -7.787 -13.957 5.746 1.00 63.43 H new ATOM 0 HB3 TYR A 98 -8.074 -15.276 4.628 1.00 63.43 H new ATOM 0 HD1 TYR A 98 -6.318 -14.990 7.946 1.00 62.12 H new ATOM 0 HD2 TYR A 98 -9.266 -17.007 5.625 1.00 44.03 H new ATOM 0 HE1 TYR A 98 -6.779 -16.488 9.836 1.00 64.14 H new ATOM 0 HE2 TYR A 98 -9.731 -18.506 7.511 1.00 12.55 H new ATOM 0 HH TYR A 98 -9.244 -19.062 9.595 1.00 10.03 H new ATOM 1402 N GLN A 99 -6.513 -16.141 3.027 1.00 12.24 N ATOM 1403 CA GLN A 99 -6.345 -17.174 2.012 1.00 22.25 C ATOM 1404 C GLN A 99 -5.175 -16.849 1.092 1.00 11.40 C ATOM 1405 O GLN A 99 -4.982 -15.698 0.698 1.00 22.03 O ATOM 1406 CB GLN A 99 -7.629 -17.325 1.192 1.00 2.12 C ATOM 1407 CG GLN A 99 -8.527 -18.454 1.670 1.00 73.43 C ATOM 1408 CD GLN A 99 -8.856 -18.353 3.147 1.00 70.04 C ATOM 1409 OE1 GLN A 99 -9.871 -17.771 3.531 1.00 70.14 O ATOM 1410 NE2 GLN A 99 -7.996 -18.921 3.985 1.00 0.11 N ATOM 0 H GLN A 99 -7.283 -15.496 2.849 1.00 12.24 H new ATOM 0 HA GLN A 99 -6.132 -18.115 2.519 1.00 22.25 H new ATOM 0 HB2 GLN A 99 -8.186 -16.389 1.229 1.00 2.12 H new ATOM 0 HB3 GLN A 99 -7.366 -17.498 0.149 1.00 2.12 H new ATOM 0 HG2 GLN A 99 -9.452 -18.446 1.094 1.00 73.43 H new ATOM 0 HG3 GLN A 99 -8.039 -19.409 1.475 1.00 73.43 H new ATOM 0 HE21 GLN A 99 -7.167 -19.393 3.623 1.00 0.11 H new ATOM 0 HE22 GLN A 99 -8.164 -18.885 4.990 1.00 0.11 H new ATOM 1417 N ILE A 100 -4.395 -17.869 0.753 1.00 51.42 N ATOM 1418 CA ILE A 100 -3.242 -17.692 -0.122 1.00 31.02 C ATOM 1419 C ILE A 100 -3.360 -18.562 -1.369 1.00 13.04 C ATOM 1420 O ILE A 100 -4.096 -19.547 -1.403 1.00 21.11 O ATOM 1421 CB ILE A 100 -1.927 -18.031 0.604 1.00 14.31 C ATOM 1422 CG1 ILE A 100 -2.175 -19.077 1.692 1.00 4.51 C ATOM 1423 CG2 ILE A 100 -1.312 -16.774 1.200 1.00 13.32 C ATOM 1424 CD1 ILE A 100 -0.910 -19.551 2.373 1.00 14.43 C ATOM 0 H ILE A 100 -4.540 -18.827 1.071 1.00 51.42 H new ATOM 0 HA ILE A 100 -3.226 -16.642 -0.414 1.00 31.02 H new ATOM 0 HB ILE A 100 -1.226 -18.447 -0.120 1.00 14.31 H new ATOM 0 HG12 ILE A 100 -2.846 -18.658 2.441 1.00 4.51 H new ATOM 0 HG13 ILE A 100 -2.684 -19.934 1.251 1.00 4.51 H new ATOM 0 HG21 ILE A 100 -0.383 -17.030 1.710 1.00 13.32 H new ATOM 0 HG22 ILE A 100 -1.104 -16.058 0.405 1.00 13.32 H new ATOM 0 HG23 ILE A 100 -2.007 -16.332 1.913 1.00 13.32 H new ATOM 0 HD11 ILE A 100 -1.161 -20.291 3.133 1.00 14.43 H new ATOM 0 HD12 ILE A 100 -0.246 -20.000 1.635 1.00 14.43 H new ATOM 0 HD13 ILE A 100 -0.411 -18.704 2.843 1.00 14.43 H new ATOM 1435 N PRO A 101 -2.615 -18.191 -2.421 1.00 63.42 N ATOM 1436 CA PRO A 101 -2.617 -18.925 -3.690 1.00 52.10 C ATOM 1437 C PRO A 101 -1.946 -20.289 -3.571 1.00 71.24 C ATOM 1438 O PRO A 101 -1.422 -20.645 -2.517 1.00 33.05 O ATOM 1439 CB PRO A 101 -1.818 -18.015 -4.627 1.00 0.35 C ATOM 1440 CG PRO A 101 -0.936 -17.223 -3.725 1.00 11.53 C ATOM 1441 CD PRO A 101 -1.714 -17.027 -2.452 1.00 74.42 C ATOM 0 HA PRO A 101 -3.628 -19.135 -4.038 1.00 52.10 H new ATOM 0 HB2 PRO A 101 -1.234 -18.596 -5.341 1.00 0.35 H new ATOM 0 HB3 PRO A 101 -2.476 -17.367 -5.206 1.00 0.35 H new ATOM 0 HG2 PRO A 101 -0.001 -17.749 -3.534 1.00 11.53 H new ATOM 0 HG3 PRO A 101 -0.677 -16.265 -4.175 1.00 11.53 H new ATOM 0 HD2 PRO A 101 -1.059 -17.002 -1.581 1.00 74.42 H new ATOM 0 HD3 PRO A 101 -2.269 -16.089 -2.461 1.00 74.42 H new ATOM 1446 N GLY A 102 -1.963 -21.049 -4.663 1.00 45.21 N ATOM 1447 CA GLY A 102 -1.353 -22.366 -4.659 1.00 12.14 C ATOM 1448 C GLY A 102 -0.933 -22.814 -6.045 1.00 1.12 C ATOM 1449 O GLY A 102 -0.780 -24.008 -6.301 1.00 4.35 O ATOM 0 H GLY A 102 -2.388 -20.776 -5.549 1.00 45.21 H new ATOM 0 HA2 GLY A 102 -0.482 -22.358 -4.004 1.00 12.14 H new ATOM 0 HA3 GLY A 102 -2.057 -23.088 -4.245 1.00 12.14 H new ATOM 1453 N LYS A 103 -0.746 -21.854 -6.944 1.00 15.15 N ATOM 1454 CA LYS A 103 -0.341 -22.153 -8.312 1.00 52.53 C ATOM 1455 C LYS A 103 -1.343 -23.086 -8.984 1.00 42.33 C ATOM 1456 O LYS A 103 -1.060 -24.255 -9.246 1.00 5.13 O ATOM 1457 CB LYS A 103 1.052 -22.788 -8.326 1.00 33.41 C ATOM 1458 CG LYS A 103 1.822 -22.536 -9.611 1.00 10.41 C ATOM 1459 CD LYS A 103 1.466 -23.552 -10.683 1.00 14.54 C ATOM 1460 CE LYS A 103 2.202 -23.270 -11.984 1.00 24.32 C ATOM 1461 NZ LYS A 103 2.526 -24.523 -12.721 1.00 21.23 N ATOM 0 H LYS A 103 -0.869 -20.860 -6.749 1.00 15.15 H new ATOM 0 HA LYS A 103 -0.313 -21.217 -8.869 1.00 52.53 H new ATOM 0 HB2 LYS A 103 1.627 -22.400 -7.485 1.00 33.41 H new ATOM 0 HB3 LYS A 103 0.954 -23.863 -8.176 1.00 33.41 H new ATOM 0 HG2 LYS A 103 1.606 -21.531 -9.975 1.00 10.41 H new ATOM 0 HG3 LYS A 103 2.892 -22.579 -9.409 1.00 10.41 H new ATOM 0 HD2 LYS A 103 1.714 -24.554 -10.333 1.00 14.54 H new ATOM 0 HD3 LYS A 103 0.391 -23.534 -10.861 1.00 14.54 H new ATOM 0 HE2 LYS A 103 1.590 -22.625 -12.615 1.00 24.32 H new ATOM 0 HE3 LYS A 103 3.122 -22.726 -11.770 1.00 24.32 H new ATOM 0 HZ1 LYS A 103 3.247 -24.324 -13.444 1.00 21.23 H new ATOM 0 HZ2 LYS A 103 2.891 -25.233 -12.055 1.00 21.23 H new ATOM 0 HZ3 LYS A 103 1.667 -24.888 -13.180 1.00 21.23 H new ATOM 1471 N PRO A 104 -2.543 -22.559 -9.272 1.00 3.33 N ATOM 1472 CA PRO A 104 -3.610 -23.327 -9.920 1.00 24.31 C ATOM 1473 C PRO A 104 -3.292 -23.648 -11.376 1.00 42.41 C ATOM 1474 O PRO A 104 -2.717 -22.827 -12.090 1.00 24.20 O ATOM 1475 CB PRO A 104 -4.821 -22.397 -9.829 1.00 11.15 C ATOM 1476 CG PRO A 104 -4.241 -21.027 -9.742 1.00 43.12 C ATOM 1477 CD PRO A 104 -2.948 -21.172 -8.989 1.00 4.02 C ATOM 0 HA PRO A 104 -3.762 -24.295 -9.443 1.00 24.31 H new ATOM 0 HB2 PRO A 104 -5.465 -22.499 -10.702 1.00 11.15 H new ATOM 0 HB3 PRO A 104 -5.431 -22.625 -8.955 1.00 11.15 H new ATOM 0 HG2 PRO A 104 -4.070 -20.612 -10.735 1.00 43.12 H new ATOM 0 HG3 PRO A 104 -4.919 -20.348 -9.225 1.00 43.12 H new ATOM 0 HD2 PRO A 104 -2.200 -20.457 -9.332 1.00 4.02 H new ATOM 0 HD3 PRO A 104 -3.084 -21.003 -7.921 1.00 4.02 H new ATOM 1482 N GLU A 105 -3.670 -24.847 -11.809 1.00 73.02 N ATOM 1483 CA GLU A 105 -3.423 -25.276 -13.181 1.00 35.40 C ATOM 1484 C GLU A 105 -4.736 -25.454 -13.939 1.00 3.12 C ATOM 1485 O GLU A 105 -5.764 -25.783 -13.351 1.00 22.53 O ATOM 1486 CB GLU A 105 -2.631 -26.584 -13.196 1.00 12.23 C ATOM 1487 CG GLU A 105 -2.062 -26.936 -14.560 1.00 14.41 C ATOM 1488 CD GLU A 105 -0.921 -26.024 -14.969 1.00 25.33 C ATOM 1489 OE1 GLU A 105 0.144 -26.080 -14.318 1.00 75.11 O ATOM 1490 OE2 GLU A 105 -1.093 -25.257 -15.938 1.00 35.10 O ATOM 0 H GLU A 105 -4.148 -25.538 -11.230 1.00 73.02 H new ATOM 0 HA GLU A 105 -2.838 -24.501 -13.677 1.00 35.40 H new ATOM 0 HB2 GLU A 105 -1.814 -26.512 -12.478 1.00 12.23 H new ATOM 0 HB3 GLU A 105 -3.278 -27.395 -12.862 1.00 12.23 H new ATOM 0 HG2 GLU A 105 -1.711 -27.968 -14.548 1.00 14.41 H new ATOM 0 HG3 GLU A 105 -2.854 -26.878 -15.306 1.00 14.41 H new TER 1495 GLU A 105 ATOM 1496 N ASP B 1 10.309 -11.097 -7.250 1.00 51.31 N ATOM 1497 CA ASP B 1 9.193 -11.987 -6.953 1.00 35.42 C ATOM 1498 C ASP B 1 7.892 -11.200 -6.819 1.00 43.23 C ATOM 1499 O ASP B 1 6.908 -11.490 -7.499 1.00 43.22 O ATOM 1500 CB ASP B 1 9.465 -12.769 -5.667 1.00 32.22 C ATOM 1501 CG ASP B 1 10.694 -13.649 -5.774 1.00 21.22 C ATOM 1502 OD1 ASP B 1 10.639 -14.657 -6.509 1.00 22.14 O ATOM 1503 OD2 ASP B 1 11.711 -13.331 -5.122 1.00 72.50 O ATOM 0 H1 ASP B 1 11.150 -11.662 -7.487 1.00 51.31 H new ATOM 0 H2 ASP B 1 10.062 -10.488 -8.056 1.00 51.31 H new ATOM 0 H3 ASP B 1 10.512 -10.506 -6.419 1.00 51.31 H new ATOM 0 HA ASP B 1 9.089 -12.689 -7.781 1.00 35.42 H new ATOM 0 HB2 ASP B 1 9.593 -12.070 -4.840 1.00 32.22 H new ATOM 0 HB3 ASP B 1 8.599 -13.387 -5.431 1.00 32.22 H new ATOM 1507 N GLU B 2 7.896 -10.205 -5.938 1.00 22.22 N ATOM 1508 CA GLU B 2 6.715 -9.380 -5.714 1.00 24.42 C ATOM 1509 C GLU B 2 7.089 -7.902 -5.642 1.00 52.24 C ATOM 1510 O GLU B 2 6.392 -7.045 -6.187 1.00 40.34 O ATOM 1511 CB GLU B 2 6.006 -9.800 -4.424 1.00 52.12 C ATOM 1512 CG GLU B 2 6.960 -10.200 -3.310 1.00 44.31 C ATOM 1513 CD GLU B 2 7.073 -11.703 -3.151 1.00 41.14 C ATOM 1514 OE1 GLU B 2 6.707 -12.431 -4.097 1.00 55.12 O ATOM 1515 OE2 GLU B 2 7.531 -12.152 -2.079 1.00 44.54 O ATOM 0 H GLU B 2 8.703 -9.951 -5.368 1.00 22.22 H new ATOM 0 HA GLU B 2 6.038 -9.526 -6.556 1.00 24.42 H new ATOM 0 HB2 GLU B 2 5.381 -8.977 -4.078 1.00 52.12 H new ATOM 0 HB3 GLU B 2 5.341 -10.636 -4.640 1.00 52.12 H new ATOM 0 HG2 GLU B 2 7.947 -9.785 -3.515 1.00 44.31 H new ATOM 0 HG3 GLU B 2 6.620 -9.764 -2.371 1.00 44.31 H new ATOM 1520 N PHE B 3 8.195 -7.610 -4.966 1.00 43.42 N ATOM 1521 CA PHE B 3 8.664 -6.237 -4.822 1.00 63.41 C ATOM 1522 C PHE B 3 10.082 -6.203 -4.260 1.00 74.45 C ATOM 1523 O PHE B 3 10.686 -7.217 -4.208 1.00 33.33 O ATOM 1524 CB PHE B 3 7.723 -5.448 -3.909 1.00 24.52 C ATOM 1525 CG PHE B 3 7.080 -4.270 -4.583 1.00 74.15 C ATOM 1526 CD1 PHE B 3 7.846 -3.366 -5.303 1.00 70.41 C ATOM 1527 CD2 PHE B 3 5.713 -4.065 -4.499 1.00 24.02 C ATOM 1528 CE1 PHE B 3 7.260 -2.280 -5.925 1.00 20.32 C ATOM 1529 CE2 PHE B 3 5.121 -2.981 -5.118 1.00 22.15 C ATOM 1530 CZ PHE B 3 5.895 -2.086 -5.831 1.00 41.33 C ATOM 0 H PHE B 3 8.784 -8.306 -4.509 1.00 43.42 H new ATOM 0 HA PHE B 3 8.672 -5.776 -5.810 1.00 63.41 H new ATOM 0 HB2 PHE B 3 6.944 -6.115 -3.540 1.00 24.52 H new ATOM 0 HB3 PHE B 3 8.281 -5.099 -3.040 1.00 24.52 H new ATOM 0 HD1 PHE B 3 8.913 -3.512 -5.379 1.00 70.41 H new ATOM 0 HD2 PHE B 3 5.102 -4.761 -3.943 1.00 24.02 H new ATOM 0 HE1 PHE B 3 7.868 -1.584 -6.484 1.00 20.32 H new ATOM 0 HE2 PHE B 3 4.054 -2.833 -5.045 1.00 22.15 H new ATOM 0 HZ PHE B 3 5.434 -1.237 -6.314 1.00 41.33 H new HETATM 1539 N MCL B 4 10.502 -5.083 -3.895 1.00 42.03 N HETATM 1540 CA MCL B 4 11.838 -4.882 -3.343 1.00 10.24 C HETATM 1541 CB MCL B 4 11.963 -3.455 -2.768 1.00 63.33 C HETATM 1542 CG MCL B 4 13.321 -3.298 -2.054 1.00 43.12 C HETATM 1543 CD MCL B 4 13.606 -1.802 -1.803 1.00 72.31 C HETATM 1544 CE MCL B 4 13.672 -1.055 -3.152 1.00 51.42 C HETATM 1545 NZ MCL B 4 12.517 -0.157 -3.279 1.00 54.34 N HETATM 1546 CX1 MCL B 4 12.636 0.970 -2.266 1.00 0.30 C HETATM 1547 C1 MCL B 4 11.497 0.858 -1.236 1.00 54.45 C HETATM 1548 CX2 MCL B 4 12.773 2.434 -2.723 1.00 21.31 C HETATM 1549 O1 MCL B 4 12.509 2.525 -4.197 1.00 11.50 O HETATM 1550 O2 MCL B 4 11.780 3.283 -1.984 1.00 41.54 O HETATM 1551 C MCL B 4 12.031 -5.878 -2.254 1.00 21.43 C HETATM 1552 O MCL B 4 13.111 -6.443 -2.093 1.00 50.31 O HETATM 0 HZ MCL B 4 11.753 -0.272 -3.945 1.00 54.34 H new HETATM 0 HX1 MCL B 4 13.632 0.783 -1.864 1.00 0.30 H new HETATM 0 HO1 MCL B 4 12.594 3.457 -4.488 1.00 11.50 H new HETATM 0 HG3 MCL B 4 13.310 -3.840 -1.108 1.00 43.12 H new HETATM 0 HG2 MCL B 4 14.115 -3.733 -2.662 1.00 43.12 H new HETATM 0 HE3 MCL B 4 14.598 -0.483 -3.217 1.00 51.42 H new HETATM 0 HE2 MCL B 4 13.681 -1.770 -3.974 1.00 51.42 H new HETATM 0 HD3 MCL B 4 12.825 -1.373 -1.176 1.00 72.31 H new HETATM 0 HD2 MCL B 4 14.547 -1.686 -1.265 1.00 72.31 H new HETATM 0 HB3 MCL B 4 11.876 -2.721 -3.569 1.00 63.33 H new HETATM 0 HB2 MCL B 4 11.149 -3.262 -2.069 1.00 63.33 H new HETATM 0 HA MCL B 4 12.592 -5.008 -4.120 1.00 10.24 H new HETATM 0 H13 MCL B 4 10.537 0.929 -1.746 1.00 54.45 H new HETATM 0 H12 MCL B 4 11.565 -0.101 -0.722 1.00 54.45 H new HETATM 0 H11 MCL B 4 11.583 1.666 -0.510 1.00 54.45 H new HETATM 0 H MCL B 4 9.817 -4.328 -3.859 1.00 42.03 H new ATOM 1568 N ALA B 5 10.973 -6.105 -1.482 1.00 33.42 N ATOM 1569 CA ALA B 5 11.023 -7.055 -0.378 1.00 15.33 C ATOM 1570 C ALA B 5 11.738 -8.337 -0.789 1.00 62.55 C ATOM 1571 O ALA B 5 11.773 -8.689 -1.969 1.00 30.34 O ATOM 1572 CB ALA B 5 9.617 -7.367 0.114 1.00 12.24 C ATOM 0 H ALA B 5 10.071 -5.644 -1.601 1.00 33.42 H new ATOM 0 HA ALA B 5 11.588 -6.600 0.435 1.00 15.33 H new ATOM 0 HB1 ALA B 5 9.669 -8.078 0.939 1.00 12.24 H new ATOM 0 HB2 ALA B 5 9.139 -6.449 0.456 1.00 12.24 H new ATOM 0 HB3 ALA B 5 9.034 -7.798 -0.700 1.00 12.24 H new ATOM 1578 N ASP B 6 12.307 -9.031 0.189 1.00 51.32 N ATOM 1579 CA ASP B 6 13.022 -10.276 -0.072 1.00 13.14 C ATOM 1580 C ASP B 6 12.902 -11.231 1.112 1.00 31.53 C ATOM 1581 O ASP B 6 13.680 -12.175 1.241 1.00 64.03 O ATOM 1582 CB ASP B 6 14.496 -9.992 -0.366 1.00 31.33 C ATOM 1583 CG ASP B 6 15.193 -11.167 -1.020 1.00 11.54 C ATOM 1584 OD1 ASP B 6 14.752 -11.588 -2.109 1.00 65.41 O ATOM 1585 OD2 ASP B 6 16.181 -11.667 -0.442 1.00 54.42 O ATOM 0 H ASP B 6 12.288 -8.754 1.170 1.00 51.32 H new ATOM 0 HA ASP B 6 12.570 -10.748 -0.944 1.00 13.14 H new ATOM 0 HB2 ASP B 6 14.572 -9.120 -1.016 1.00 31.33 H new ATOM 0 HB3 ASP B 6 15.007 -9.742 0.564 1.00 31.33 H new ATOM 1589 N GLU B 7 11.924 -10.974 1.975 1.00 31.12 N ATOM 1590 CA GLU B 7 11.705 -11.809 3.150 1.00 22.43 C ATOM 1591 C GLU B 7 13.002 -12.004 3.930 1.00 61.50 C ATOM 1592 O GLU B 7 12.993 -12.090 5.157 1.00 43.41 O ATOM 1593 CB GLU B 7 11.136 -13.170 2.737 1.00 54.31 C ATOM 1594 CG GLU B 7 9.648 -13.314 3.008 1.00 54.32 C ATOM 1595 CD GLU B 7 9.077 -14.602 2.448 1.00 50.22 C ATOM 1596 OE1 GLU B 7 8.689 -14.612 1.260 1.00 63.40 O ATOM 1597 OE2 GLU B 7 9.019 -15.601 3.195 1.00 62.41 O ATOM 0 H GLU B 7 11.272 -10.195 1.883 1.00 31.12 H new ATOM 0 HA GLU B 7 10.987 -11.302 3.795 1.00 22.43 H new ATOM 0 HB2 GLU B 7 11.320 -13.324 1.674 1.00 54.31 H new ATOM 0 HB3 GLU B 7 11.672 -13.955 3.270 1.00 54.31 H new ATOM 0 HG2 GLU B 7 9.473 -13.280 4.083 1.00 54.32 H new ATOM 0 HG3 GLU B 7 9.119 -12.466 2.572 1.00 54.32 H new TER 1602 GLU B 7