USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 599 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 HIS : no HD1:sc= -0.534 X(o=-0.53,f=-0.56) USER MOD Set 1.2: A 74 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 49 ASN :FLIP amide:sc= -1.51! C(o=-3.1!,f=-1.5!) USER MOD Set 2.2: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 18 GLN : amide:sc= -1.86 K(o=-1.9,f=-5.3!) USER MOD Set 3.2: A 50 TYR OH : rot -58:sc= 0 USER MOD Single : A 1 MET CE :methyl 175:sc=-0.00714 (180deg=-0.0241) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0.131 (180deg=0.128) USER MOD Single : A 2 GLN : amide:sc= -0.735 X(o=-0.73,f=-0.44) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 5 TYR OH : rot 180:sc= -1.62! USER MOD Single : A 11 THR OG1 : rot -89:sc= -1.07 USER MOD Single : A 23 ASN : amide:sc= -2.8 K(o=-2.8,f=-11!) USER MOD Single : A 26 TYR OH : rot -167:sc= 0.708 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0.46) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 80:sc= -0.833 USER MOD Single : A 38 GLN : amide:sc= -3.16 X(o=-3.2,f=-3.7!) USER MOD Single : A 41 TYR OH : rot 14:sc= -0.805 USER MOD Single : A 47 HIS : no HD1:sc= -2.92 X(o=-2.9,f=-3.2!) USER MOD Single : A 54 THR OG1 : rot -48:sc= 0.769 USER MOD Single : A 64 SER OG : rot 180:sc= 0.092 USER MOD Single : A 66 ASN :FLIP amide:sc= -0.0157 F(o=-0.9,f=-0.016) USER MOD Single : A 70 HIS : no HD1:sc= -4.49! C(o=-4.5!,f=-7.9!) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.168 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.314 -7.932 -13.445 1.00 0.00 N ATOM 2 CA MET A 1 -7.338 -7.294 -12.578 1.00 0.00 C ATOM 3 C MET A 1 -6.721 -6.207 -11.702 1.00 0.00 C ATOM 4 O MET A 1 -7.339 -5.173 -11.451 1.00 0.00 O ATOM 5 CB MET A 1 -7.980 -8.374 -11.703 1.00 0.00 C ATOM 6 CG MET A 1 -9.213 -9.007 -12.326 1.00 0.00 C ATOM 7 SD MET A 1 -8.807 -10.134 -13.676 1.00 0.00 S ATOM 8 CE MET A 1 -9.178 -9.107 -15.095 1.00 0.00 C ATOM 0 H1 MET A 1 -6.765 -8.655 -14.041 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.873 -7.210 -14.050 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.586 -8.378 -12.851 1.00 0.00 H new ATOM 0 HA MET A 1 -8.092 -6.821 -13.207 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.244 -9.153 -11.502 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.252 -7.937 -10.742 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.766 -9.549 -11.559 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.871 -8.222 -12.698 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.894 -9.631 -16.008 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.246 -8.890 -15.118 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.620 -8.173 -15.024 1.00 0.00 H new ATOM 20 N GLN A 2 -5.498 -6.449 -11.241 1.00 0.00 N ATOM 21 CA GLN A 2 -4.797 -5.491 -10.394 1.00 0.00 C ATOM 22 C GLN A 2 -4.451 -4.227 -11.172 1.00 0.00 C ATOM 23 O GLN A 2 -4.304 -4.259 -12.395 1.00 0.00 O ATOM 24 CB GLN A 2 -3.524 -6.119 -9.823 1.00 0.00 C ATOM 25 CG GLN A 2 -2.655 -6.792 -10.872 1.00 0.00 C ATOM 26 CD GLN A 2 -2.785 -8.302 -10.854 1.00 0.00 C ATOM 27 OE1 GLN A 2 -3.016 -8.929 -11.889 1.00 0.00 O ATOM 28 NE2 GLN A 2 -2.638 -8.894 -9.676 1.00 0.00 N ATOM 0 H GLN A 2 -4.972 -7.300 -11.440 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.459 -5.219 -9.572 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -2.941 -5.346 -9.321 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.799 -6.853 -9.066 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -2.929 -6.419 -11.859 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.613 -6.519 -10.705 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -2.447 -8.335 -8.844 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -2.715 -9.908 -9.602 1.00 0.00 H new ATOM 37 N HIS A 3 -4.321 -3.114 -10.457 1.00 0.00 N ATOM 38 CA HIS A 3 -3.992 -1.837 -11.083 1.00 0.00 C ATOM 39 C HIS A 3 -2.707 -1.256 -10.493 1.00 0.00 C ATOM 40 O HIS A 3 -2.737 -0.591 -9.458 1.00 0.00 O ATOM 41 CB HIS A 3 -5.145 -0.846 -10.903 1.00 0.00 C ATOM 42 CG HIS A 3 -5.842 -0.501 -12.181 1.00 0.00 C ATOM 43 ND1 HIS A 3 -6.303 -1.451 -13.067 1.00 0.00 N ATOM 44 CD2 HIS A 3 -6.158 0.700 -12.721 1.00 0.00 C ATOM 45 CE1 HIS A 3 -6.871 -0.851 -14.098 1.00 0.00 C ATOM 46 NE2 HIS A 3 -6.798 0.454 -13.912 1.00 0.00 N ATOM 0 H HIS A 3 -4.438 -3.070 -9.445 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.835 -2.011 -12.147 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -5.869 -1.267 -10.206 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.760 0.068 -10.450 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.947 1.670 -12.295 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -7.319 -1.344 -14.948 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -7.158 1.165 -14.549 1.00 0.00 H new ATOM 55 N PRO A 4 -1.556 -1.498 -11.146 1.00 0.00 N ATOM 56 CA PRO A 4 -0.258 -0.991 -10.682 1.00 0.00 C ATOM 57 C PRO A 4 -0.248 0.526 -10.539 1.00 0.00 C ATOM 58 O PRO A 4 -1.070 1.220 -11.139 1.00 0.00 O ATOM 59 CB PRO A 4 0.713 -1.424 -11.786 1.00 0.00 C ATOM 60 CG PRO A 4 0.043 -2.572 -12.457 1.00 0.00 C ATOM 61 CD PRO A 4 -1.428 -2.285 -12.388 1.00 0.00 C ATOM 0 HA PRO A 4 -0.003 -1.376 -9.695 1.00 0.00 H new ATOM 0 HB2 PRO A 4 0.901 -0.611 -12.488 1.00 0.00 H new ATOM 0 HB3 PRO A 4 1.678 -1.717 -11.371 1.00 0.00 H new ATOM 0 HG2 PRO A 4 0.374 -2.668 -13.491 1.00 0.00 H new ATOM 0 HG3 PRO A 4 0.282 -3.511 -11.957 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.771 -1.725 -13.258 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -2.016 -3.202 -12.347 1.00 0.00 H new ATOM 69 N TYR A 5 0.693 1.039 -9.752 1.00 0.00 N ATOM 70 CA TYR A 5 0.812 2.479 -9.548 1.00 0.00 C ATOM 71 C TYR A 5 2.263 2.885 -9.386 1.00 0.00 C ATOM 72 O TYR A 5 2.710 3.869 -9.977 1.00 0.00 O ATOM 73 CB TYR A 5 0.011 2.933 -8.326 1.00 0.00 C ATOM 74 CG TYR A 5 -1.372 3.412 -8.681 1.00 0.00 C ATOM 75 CD1 TYR A 5 -2.357 2.514 -9.053 1.00 0.00 C ATOM 76 CD2 TYR A 5 -1.682 4.765 -8.666 1.00 0.00 C ATOM 77 CE1 TYR A 5 -3.621 2.949 -9.402 1.00 0.00 C ATOM 78 CE2 TYR A 5 -2.945 5.209 -9.008 1.00 0.00 C ATOM 79 CZ TYR A 5 -3.911 4.297 -9.376 1.00 0.00 C ATOM 80 OH TYR A 5 -5.168 4.735 -9.723 1.00 0.00 O ATOM 0 H TYR A 5 1.382 0.482 -9.247 1.00 0.00 H new ATOM 0 HA TYR A 5 0.405 2.967 -10.433 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -0.066 2.106 -7.620 1.00 0.00 H new ATOM 0 HB3 TYR A 5 0.550 3.735 -7.821 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -2.134 1.457 -9.071 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.925 5.481 -8.383 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.379 2.237 -9.694 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.174 6.264 -8.987 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.206 5.712 -9.650 1.00 0.00 H new ATOM 90 N VAL A 6 3.001 2.126 -8.587 1.00 0.00 N ATOM 91 CA VAL A 6 4.405 2.421 -8.362 1.00 0.00 C ATOM 92 C VAL A 6 4.583 3.785 -7.702 1.00 0.00 C ATOM 93 O VAL A 6 4.030 4.786 -8.158 1.00 0.00 O ATOM 94 CB VAL A 6 5.184 2.403 -9.685 1.00 0.00 C ATOM 95 CG1 VAL A 6 6.679 2.527 -9.437 1.00 0.00 C ATOM 96 CG2 VAL A 6 4.865 1.141 -10.466 1.00 0.00 C ATOM 0 H VAL A 6 2.652 1.308 -8.088 1.00 0.00 H new ATOM 0 HA VAL A 6 4.795 1.649 -7.698 1.00 0.00 H new ATOM 0 HB VAL A 6 4.874 3.263 -10.279 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.208 2.512 -10.390 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.886 3.465 -8.922 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.016 1.693 -8.821 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.424 1.141 -11.402 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.145 0.268 -9.876 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.797 1.107 -10.681 1.00 0.00 H new ATOM 106 N GLY A 7 5.352 3.817 -6.622 1.00 0.00 N ATOM 107 CA GLY A 7 5.582 5.061 -5.912 1.00 0.00 C ATOM 108 C GLY A 7 5.910 4.839 -4.452 1.00 0.00 C ATOM 109 O GLY A 7 5.389 3.914 -3.834 1.00 0.00 O ATOM 0 H GLY A 7 5.821 3.003 -6.224 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.400 5.602 -6.387 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.696 5.691 -5.991 1.00 0.00 H new ATOM 113 N ILE A 8 6.764 5.689 -3.889 1.00 0.00 N ATOM 114 CA ILE A 8 7.125 5.563 -2.485 1.00 0.00 C ATOM 115 C ILE A 8 6.209 6.426 -1.638 1.00 0.00 C ATOM 116 O ILE A 8 6.421 7.626 -1.485 1.00 0.00 O ATOM 117 CB ILE A 8 8.600 5.931 -2.230 1.00 0.00 C ATOM 118 CG1 ILE A 8 9.498 4.913 -2.948 1.00 0.00 C ATOM 119 CG2 ILE A 8 8.894 5.981 -0.732 1.00 0.00 C ATOM 120 CD1 ILE A 8 10.556 4.270 -2.073 1.00 0.00 C ATOM 0 H ILE A 8 7.213 6.463 -4.378 1.00 0.00 H new ATOM 0 HA ILE A 8 7.002 4.517 -2.203 1.00 0.00 H new ATOM 0 HB ILE A 8 8.805 6.925 -2.628 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.869 4.129 -3.369 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.991 5.410 -3.784 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.940 6.242 -0.575 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.258 6.731 -0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.693 5.005 -0.289 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.140 3.567 -2.666 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.214 5.041 -1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.075 3.740 -1.251 1.00 0.00 H new ATOM 132 N TRP A 9 5.182 5.795 -1.103 1.00 0.00 N ATOM 133 CA TRP A 9 4.200 6.480 -0.280 1.00 0.00 C ATOM 134 C TRP A 9 4.663 6.527 1.169 1.00 0.00 C ATOM 135 O TRP A 9 4.702 5.510 1.860 1.00 0.00 O ATOM 136 CB TRP A 9 2.842 5.786 -0.418 1.00 0.00 C ATOM 137 CG TRP A 9 2.419 5.642 -1.855 1.00 0.00 C ATOM 138 CD1 TRP A 9 2.950 4.791 -2.785 1.00 0.00 C ATOM 139 CD2 TRP A 9 1.393 6.380 -2.533 1.00 0.00 C ATOM 140 NE1 TRP A 9 2.324 4.955 -4.000 1.00 0.00 N ATOM 141 CE2 TRP A 9 1.361 5.924 -3.869 1.00 0.00 C ATOM 142 CE3 TRP A 9 0.500 7.380 -2.141 1.00 0.00 C ATOM 143 CZ2 TRP A 9 0.469 6.436 -4.806 1.00 0.00 C ATOM 144 CZ3 TRP A 9 -0.384 7.886 -3.075 1.00 0.00 C ATOM 145 CH2 TRP A 9 -0.394 7.414 -4.393 1.00 0.00 C ATOM 0 H TRP A 9 5.004 4.798 -1.225 1.00 0.00 H new ATOM 0 HA TRP A 9 4.093 7.510 -0.621 1.00 0.00 H new ATOM 0 HB2 TRP A 9 2.891 4.800 0.045 1.00 0.00 H new ATOM 0 HB3 TRP A 9 2.088 6.356 0.125 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.748 4.089 -2.593 1.00 0.00 H new ATOM 0 HE1 TRP A 9 2.540 4.442 -4.855 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.500 7.751 -1.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.458 6.074 -5.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -1.079 8.659 -2.783 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.098 7.831 -5.098 1.00 0.00 H new ATOM 156 N VAL A 10 5.043 7.722 1.607 1.00 0.00 N ATOM 157 CA VAL A 10 5.542 7.921 2.964 1.00 0.00 C ATOM 158 C VAL A 10 4.606 8.799 3.788 1.00 0.00 C ATOM 159 O VAL A 10 3.842 9.598 3.246 1.00 0.00 O ATOM 160 CB VAL A 10 6.952 8.552 2.939 1.00 0.00 C ATOM 161 CG1 VAL A 10 7.430 8.900 4.343 1.00 0.00 C ATOM 162 CG2 VAL A 10 7.940 7.619 2.257 1.00 0.00 C ATOM 0 H VAL A 10 5.015 8.570 1.041 1.00 0.00 H new ATOM 0 HA VAL A 10 5.592 6.939 3.434 1.00 0.00 H new ATOM 0 HB VAL A 10 6.893 9.478 2.368 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.425 9.342 4.290 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.740 9.612 4.796 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.467 7.995 4.949 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.928 8.079 2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.984 6.675 2.801 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.617 7.433 1.233 1.00 0.00 H new ATOM 172 N THR A 11 4.679 8.637 5.104 1.00 0.00 N ATOM 173 CA THR A 11 3.847 9.402 6.025 1.00 0.00 C ATOM 174 C THR A 11 4.196 10.889 5.985 1.00 0.00 C ATOM 175 O THR A 11 5.015 11.322 5.174 1.00 0.00 O ATOM 176 CB THR A 11 4.012 8.859 7.444 1.00 0.00 C ATOM 177 OG1 THR A 11 5.293 8.269 7.607 1.00 0.00 O ATOM 178 CG2 THR A 11 2.976 7.818 7.803 1.00 0.00 C ATOM 0 H THR A 11 5.310 7.978 5.559 1.00 0.00 H new ATOM 0 HA THR A 11 2.808 9.295 5.715 1.00 0.00 H new ATOM 0 HB THR A 11 3.887 9.717 8.104 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.251 7.322 7.359 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.146 7.471 8.822 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.980 8.255 7.730 1.00 0.00 H new ATOM 0 HG23 THR A 11 3.053 6.976 7.116 1.00 0.00 H new ATOM 186 N ALA A 12 3.564 11.666 6.861 1.00 0.00 N ATOM 187 CA ALA A 12 3.801 13.106 6.923 1.00 0.00 C ATOM 188 C ALA A 12 5.027 13.437 7.771 1.00 0.00 C ATOM 189 O ALA A 12 5.601 14.518 7.647 1.00 0.00 O ATOM 190 CB ALA A 12 2.573 13.825 7.466 1.00 0.00 C ATOM 0 H ALA A 12 2.883 11.322 7.538 1.00 0.00 H new ATOM 0 HA ALA A 12 3.994 13.453 5.908 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.767 14.897 7.506 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.721 13.634 6.813 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.351 13.459 8.468 1.00 0.00 H new ATOM 196 N ASP A 13 5.425 12.506 8.634 1.00 0.00 N ATOM 197 CA ASP A 13 6.581 12.712 9.496 1.00 0.00 C ATOM 198 C ASP A 13 7.770 11.889 9.014 1.00 0.00 C ATOM 199 O ASP A 13 8.923 12.234 9.275 1.00 0.00 O ATOM 200 CB ASP A 13 6.239 12.343 10.940 1.00 0.00 C ATOM 201 CG ASP A 13 6.824 13.322 11.940 1.00 0.00 C ATOM 202 OD1 ASP A 13 8.058 13.518 11.928 1.00 0.00 O ATOM 203 OD2 ASP A 13 6.049 13.892 12.736 1.00 0.00 O ATOM 0 H ASP A 13 4.964 11.604 8.754 1.00 0.00 H new ATOM 0 HA ASP A 13 6.852 13.767 9.454 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.156 12.311 11.057 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.612 11.342 11.155 1.00 0.00 H new ATOM 208 N GLY A 14 7.483 10.797 8.313 1.00 0.00 N ATOM 209 CA GLY A 14 8.540 9.943 7.811 1.00 0.00 C ATOM 210 C GLY A 14 8.857 8.804 8.757 1.00 0.00 C ATOM 211 O GLY A 14 9.954 8.247 8.721 1.00 0.00 O ATOM 0 H GLY A 14 6.538 10.490 8.084 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.247 9.537 6.843 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.439 10.538 7.649 1.00 0.00 H new ATOM 215 N ARG A 15 7.892 8.449 9.603 1.00 0.00 N ATOM 216 CA ARG A 15 8.090 7.357 10.554 1.00 0.00 C ATOM 217 C ARG A 15 8.046 6.014 9.833 1.00 0.00 C ATOM 218 O ARG A 15 8.659 5.042 10.275 1.00 0.00 O ATOM 219 CB ARG A 15 7.057 7.379 11.698 1.00 0.00 C ATOM 220 CG ARG A 15 5.980 8.448 11.576 1.00 0.00 C ATOM 221 CD ARG A 15 4.980 8.105 10.486 1.00 0.00 C ATOM 222 NE ARG A 15 3.608 8.060 10.991 1.00 0.00 N ATOM 223 CZ ARG A 15 3.080 7.016 11.625 1.00 0.00 C ATOM 224 NH1 ARG A 15 3.800 5.921 11.834 1.00 0.00 N ATOM 225 NH2 ARG A 15 1.826 7.064 12.051 1.00 0.00 N ATOM 0 H ARG A 15 6.976 8.895 9.650 1.00 0.00 H new ATOM 0 HA ARG A 15 9.073 7.498 11.003 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.574 6.403 11.749 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.585 7.523 12.641 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.460 8.554 12.528 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.443 9.410 11.357 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.048 8.844 9.687 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.237 7.140 10.050 1.00 0.00 H new ATOM 0 HE ARG A 15 3.019 8.880 10.848 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.765 5.875 11.508 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.388 5.125 12.321 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.265 7.901 11.893 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.421 6.264 12.537 1.00 0.00 H new ATOM 239 N ILE A 16 7.332 5.970 8.712 1.00 0.00 N ATOM 240 CA ILE A 16 7.230 4.748 7.924 1.00 0.00 C ATOM 241 C ILE A 16 7.201 5.078 6.435 1.00 0.00 C ATOM 242 O ILE A 16 6.860 6.194 6.046 1.00 0.00 O ATOM 243 CB ILE A 16 5.988 3.896 8.311 1.00 0.00 C ATOM 244 CG1 ILE A 16 4.843 4.070 7.306 1.00 0.00 C ATOM 245 CG2 ILE A 16 5.513 4.236 9.711 1.00 0.00 C ATOM 246 CD1 ILE A 16 4.949 3.135 6.122 1.00 0.00 C ATOM 0 H ILE A 16 6.818 6.764 8.331 1.00 0.00 H new ATOM 0 HA ILE A 16 8.114 4.149 8.145 1.00 0.00 H new ATOM 0 HB ILE A 16 6.296 2.851 8.289 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.893 3.900 7.813 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.834 5.100 6.949 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.643 3.627 9.958 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.312 4.035 10.425 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.242 5.291 9.757 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.110 3.306 5.447 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.884 3.321 5.594 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.929 2.103 6.471 1.00 0.00 H new ATOM 258 N ARG A 17 7.565 4.107 5.611 1.00 0.00 N ATOM 259 CA ARG A 17 7.584 4.308 4.168 1.00 0.00 C ATOM 260 C ARG A 17 7.069 3.068 3.439 1.00 0.00 C ATOM 261 O ARG A 17 7.403 1.941 3.803 1.00 0.00 O ATOM 262 CB ARG A 17 9.007 4.671 3.715 1.00 0.00 C ATOM 263 CG ARG A 17 9.556 3.828 2.572 1.00 0.00 C ATOM 264 CD ARG A 17 11.057 4.003 2.429 1.00 0.00 C ATOM 265 NE ARG A 17 11.801 3.027 3.222 1.00 0.00 N ATOM 266 CZ ARG A 17 13.108 2.812 3.097 1.00 0.00 C ATOM 267 NH1 ARG A 17 13.820 3.502 2.214 1.00 0.00 N ATOM 268 NH2 ARG A 17 13.706 1.903 3.856 1.00 0.00 N ATOM 0 H ARG A 17 7.850 3.176 5.914 1.00 0.00 H new ATOM 0 HA ARG A 17 6.918 5.133 3.915 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.019 5.718 3.412 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.678 4.579 4.569 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.325 2.777 2.749 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.065 4.110 1.641 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.335 3.905 1.380 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.336 5.010 2.739 1.00 0.00 H new ATOM 0 HE ARG A 17 11.288 2.478 3.912 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.365 4.201 1.627 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.822 3.333 2.123 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.164 1.369 4.535 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.708 1.738 3.760 1.00 0.00 H new ATOM 282 N GLN A 18 6.260 3.287 2.407 1.00 0.00 N ATOM 283 CA GLN A 18 5.706 2.191 1.626 1.00 0.00 C ATOM 284 C GLN A 18 6.022 2.371 0.146 1.00 0.00 C ATOM 285 O GLN A 18 5.534 3.302 -0.494 1.00 0.00 O ATOM 286 CB GLN A 18 4.195 2.098 1.845 1.00 0.00 C ATOM 287 CG GLN A 18 3.579 0.813 1.320 1.00 0.00 C ATOM 288 CD GLN A 18 2.196 1.025 0.734 1.00 0.00 C ATOM 289 OE1 GLN A 18 2.036 1.142 -0.480 1.00 0.00 O ATOM 290 NE2 GLN A 18 1.189 1.075 1.598 1.00 0.00 N ATOM 0 H GLN A 18 5.975 4.215 2.094 1.00 0.00 H new ATOM 0 HA GLN A 18 6.165 1.261 1.960 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.986 2.181 2.911 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.714 2.946 1.358 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.231 0.387 0.557 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.519 0.086 2.130 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.369 0.973 2.597 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.236 1.215 1.263 1.00 0.00 H new ATOM 299 N GLU A 19 6.854 1.479 -0.392 1.00 0.00 N ATOM 300 CA GLU A 19 7.240 1.555 -1.793 1.00 0.00 C ATOM 301 C GLU A 19 6.315 0.737 -2.674 1.00 0.00 C ATOM 302 O GLU A 19 6.132 -0.460 -2.461 1.00 0.00 O ATOM 303 CB GLU A 19 8.675 1.060 -1.991 1.00 0.00 C ATOM 304 CG GLU A 19 9.124 1.041 -3.444 1.00 0.00 C ATOM 305 CD GLU A 19 10.581 0.651 -3.599 1.00 0.00 C ATOM 306 OE1 GLU A 19 10.873 -0.564 -3.607 1.00 0.00 O ATOM 307 OE2 GLU A 19 11.430 1.560 -3.715 1.00 0.00 O ATOM 0 H GLU A 19 7.269 0.701 0.121 1.00 0.00 H new ATOM 0 HA GLU A 19 7.169 2.603 -2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.351 1.697 -1.420 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.762 0.054 -1.581 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.503 0.341 -4.003 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.967 2.027 -3.882 1.00 0.00 H new ATOM 314 N LEU A 20 5.777 1.383 -3.693 1.00 0.00 N ATOM 315 CA LEU A 20 4.919 0.701 -4.639 1.00 0.00 C ATOM 316 C LEU A 20 5.790 0.224 -5.791 1.00 0.00 C ATOM 317 O LEU A 20 6.374 1.020 -6.525 1.00 0.00 O ATOM 318 CB LEU A 20 3.777 1.611 -5.106 1.00 0.00 C ATOM 319 CG LEU A 20 2.669 1.833 -4.071 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.397 2.323 -4.738 1.00 0.00 C ATOM 321 CD2 LEU A 20 2.391 0.565 -3.280 1.00 0.00 C ATOM 0 H LEU A 20 5.919 2.375 -3.884 1.00 0.00 H new ATOM 0 HA LEU A 20 4.438 -0.158 -4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.193 2.579 -5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.334 1.183 -6.005 1.00 0.00 H new ATOM 0 HG LEU A 20 3.017 2.598 -3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.625 2.473 -3.983 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.594 3.266 -5.249 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.057 1.582 -5.462 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.600 0.755 -2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.077 -0.227 -3.960 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.296 0.256 -2.758 1.00 0.00 H new ATOM 333 N LEU A 21 5.933 -1.087 -5.880 1.00 0.00 N ATOM 334 CA LEU A 21 6.798 -1.707 -6.869 1.00 0.00 C ATOM 335 C LEU A 21 6.343 -1.488 -8.303 1.00 0.00 C ATOM 336 O LEU A 21 5.168 -1.244 -8.571 1.00 0.00 O ATOM 337 CB LEU A 21 6.917 -3.198 -6.570 1.00 0.00 C ATOM 338 CG LEU A 21 8.198 -3.627 -5.828 1.00 0.00 C ATOM 339 CD1 LEU A 21 8.997 -2.424 -5.333 1.00 0.00 C ATOM 340 CD2 LEU A 21 7.847 -4.533 -4.661 1.00 0.00 C ATOM 0 H LEU A 21 5.454 -1.750 -5.271 1.00 0.00 H new ATOM 0 HA LEU A 21 7.771 -1.222 -6.790 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.055 -3.501 -5.976 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.863 -3.745 -7.511 1.00 0.00 H new ATOM 0 HG LEU A 21 8.822 -4.171 -6.536 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.892 -2.770 -4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.285 -1.804 -6.182 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.385 -1.838 -4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.759 -4.830 -4.144 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.195 -3.999 -3.969 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.334 -5.421 -5.031 1.00 0.00 H new ATOM 352 N PRO A 22 7.305 -1.585 -9.244 1.00 0.00 N ATOM 353 CA PRO A 22 7.055 -1.403 -10.679 1.00 0.00 C ATOM 354 C PRO A 22 6.120 -2.461 -11.248 1.00 0.00 C ATOM 355 O PRO A 22 5.559 -2.286 -12.329 1.00 0.00 O ATOM 356 CB PRO A 22 8.448 -1.527 -11.313 1.00 0.00 C ATOM 357 CG PRO A 22 9.407 -1.328 -10.189 1.00 0.00 C ATOM 358 CD PRO A 22 8.723 -1.886 -8.979 1.00 0.00 C ATOM 0 HA PRO A 22 6.565 -0.451 -10.881 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.584 -2.503 -11.778 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.594 -0.779 -12.093 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.349 -1.843 -10.380 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.642 -0.272 -10.055 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.897 -2.957 -8.873 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.073 -1.413 -8.061 1.00 0.00 H new ATOM 366 N ASN A 23 5.951 -3.560 -10.518 1.00 0.00 N ATOM 367 CA ASN A 23 5.078 -4.633 -10.966 1.00 0.00 C ATOM 368 C ASN A 23 3.689 -4.497 -10.350 1.00 0.00 C ATOM 369 O ASN A 23 2.949 -5.475 -10.242 1.00 0.00 O ATOM 370 CB ASN A 23 5.684 -5.990 -10.612 1.00 0.00 C ATOM 371 CG ASN A 23 5.830 -6.195 -9.117 1.00 0.00 C ATOM 372 OD1 ASN A 23 5.503 -5.314 -8.322 1.00 0.00 O ATOM 373 ND2 ASN A 23 6.325 -7.365 -8.728 1.00 0.00 N ATOM 0 H ASN A 23 6.405 -3.728 -9.620 1.00 0.00 H new ATOM 0 HA ASN A 23 4.979 -4.563 -12.049 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.057 -6.781 -11.023 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.662 -6.080 -11.084 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.447 -7.562 -7.735 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.583 -8.066 -9.423 1.00 0.00 H new ATOM 380 N GLY A 24 3.343 -3.279 -9.941 1.00 0.00 N ATOM 381 CA GLY A 24 2.048 -3.040 -9.338 1.00 0.00 C ATOM 382 C GLY A 24 1.927 -3.702 -7.985 1.00 0.00 C ATOM 383 O GLY A 24 0.982 -4.449 -7.731 1.00 0.00 O ATOM 0 H GLY A 24 3.939 -2.454 -10.018 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.889 -1.967 -9.233 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.265 -3.415 -9.997 1.00 0.00 H new ATOM 387 N ARG A 25 2.893 -3.431 -7.115 1.00 0.00 N ATOM 388 CA ARG A 25 2.898 -4.016 -5.779 1.00 0.00 C ATOM 389 C ARG A 25 3.364 -3.011 -4.742 1.00 0.00 C ATOM 390 O ARG A 25 3.645 -1.861 -5.069 1.00 0.00 O ATOM 391 CB ARG A 25 3.780 -5.256 -5.754 1.00 0.00 C ATOM 392 CG ARG A 25 3.370 -6.272 -6.796 1.00 0.00 C ATOM 393 CD ARG A 25 2.021 -6.890 -6.457 1.00 0.00 C ATOM 394 NE ARG A 25 1.536 -7.765 -7.523 1.00 0.00 N ATOM 395 CZ ARG A 25 2.024 -8.981 -7.763 1.00 0.00 C ATOM 396 NH1 ARG A 25 3.007 -9.468 -7.016 1.00 0.00 N ATOM 397 NH2 ARG A 25 1.527 -9.710 -8.753 1.00 0.00 N ATOM 0 H ARG A 25 3.680 -2.812 -7.309 1.00 0.00 H new ATOM 0 HA ARG A 25 1.877 -4.303 -5.529 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.817 -4.965 -5.921 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.733 -5.713 -4.766 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.319 -5.794 -7.774 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.126 -7.055 -6.863 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.105 -7.459 -5.531 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.294 -6.098 -6.279 1.00 0.00 H new ATOM 0 HE ARG A 25 0.780 -7.425 -8.117 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.392 -8.911 -6.254 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.377 -10.400 -7.204 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.772 -9.339 -9.330 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.900 -10.641 -8.938 1.00 0.00 H new ATOM 411 N TYR A 26 3.412 -3.438 -3.485 1.00 0.00 N ATOM 412 CA TYR A 26 3.813 -2.547 -2.407 1.00 0.00 C ATOM 413 C TYR A 26 4.764 -3.218 -1.419 1.00 0.00 C ATOM 414 O TYR A 26 4.715 -4.428 -1.203 1.00 0.00 O ATOM 415 CB TYR A 26 2.565 -2.015 -1.696 1.00 0.00 C ATOM 416 CG TYR A 26 2.157 -2.780 -0.463 1.00 0.00 C ATOM 417 CD1 TYR A 26 2.892 -2.685 0.706 1.00 0.00 C ATOM 418 CD2 TYR A 26 1.030 -3.584 -0.473 1.00 0.00 C ATOM 419 CE1 TYR A 26 2.516 -3.377 1.841 1.00 0.00 C ATOM 420 CE2 TYR A 26 0.642 -4.280 0.654 1.00 0.00 C ATOM 421 CZ TYR A 26 1.389 -4.174 1.810 1.00 0.00 C ATOM 422 OH TYR A 26 1.008 -4.866 2.937 1.00 0.00 O ATOM 0 H TYR A 26 3.180 -4.387 -3.191 1.00 0.00 H new ATOM 0 HA TYR A 26 4.365 -1.715 -2.844 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.739 -0.975 -1.419 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.734 -2.022 -2.401 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.773 -2.060 0.731 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.445 -3.668 -1.377 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.099 -3.295 2.746 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.240 -4.903 0.632 1.00 0.00 H new ATOM 0 HH TYR A 26 0.333 -5.535 2.698 1.00 0.00 H new ATOM 432 N ASP A 27 5.621 -2.398 -0.821 1.00 0.00 N ATOM 433 CA ASP A 27 6.596 -2.855 0.160 1.00 0.00 C ATOM 434 C ASP A 27 6.863 -1.743 1.167 1.00 0.00 C ATOM 435 O ASP A 27 7.450 -0.720 0.821 1.00 0.00 O ATOM 436 CB ASP A 27 7.901 -3.249 -0.533 1.00 0.00 C ATOM 437 CG ASP A 27 8.143 -4.745 -0.508 1.00 0.00 C ATOM 438 OD1 ASP A 27 7.512 -5.462 -1.313 1.00 0.00 O ATOM 439 OD2 ASP A 27 8.966 -5.199 0.314 1.00 0.00 O ATOM 0 H ASP A 27 5.659 -1.395 -1.004 1.00 0.00 H new ATOM 0 HA ASP A 27 6.197 -3.728 0.677 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.878 -2.905 -1.567 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.734 -2.741 -0.047 1.00 0.00 H new ATOM 444 N GLU A 28 6.420 -1.931 2.405 1.00 0.00 N ATOM 445 CA GLU A 28 6.612 -0.909 3.424 1.00 0.00 C ATOM 446 C GLU A 28 7.739 -1.268 4.383 1.00 0.00 C ATOM 447 O GLU A 28 7.810 -2.382 4.901 1.00 0.00 O ATOM 448 CB GLU A 28 5.292 -0.655 4.175 1.00 0.00 C ATOM 449 CG GLU A 28 5.448 -0.369 5.665 1.00 0.00 C ATOM 450 CD GLU A 28 4.139 -0.488 6.419 1.00 0.00 C ATOM 451 OE1 GLU A 28 3.170 0.203 6.041 1.00 0.00 O ATOM 452 OE2 GLU A 28 4.081 -1.274 7.388 1.00 0.00 O ATOM 0 H GLU A 28 5.933 -2.769 2.723 1.00 0.00 H new ATOM 0 HA GLU A 28 6.909 0.014 2.925 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.782 0.188 3.709 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.647 -1.525 4.052 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.173 -1.063 6.091 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.851 0.635 5.799 1.00 0.00 H new ATOM 459 N ALA A 29 8.611 -0.293 4.619 1.00 0.00 N ATOM 460 CA ALA A 29 9.736 -0.465 5.522 1.00 0.00 C ATOM 461 C ALA A 29 9.677 0.563 6.643 1.00 0.00 C ATOM 462 O ALA A 29 9.966 1.742 6.434 1.00 0.00 O ATOM 463 CB ALA A 29 11.047 -0.341 4.757 1.00 0.00 C ATOM 0 H ALA A 29 8.556 0.631 4.191 1.00 0.00 H new ATOM 0 HA ALA A 29 9.682 -1.460 5.963 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.883 -0.472 5.444 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.090 -1.107 3.983 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.107 0.645 4.296 1.00 0.00 H new ATOM 469 N ARG A 30 9.295 0.112 7.829 1.00 0.00 N ATOM 470 CA ARG A 30 9.190 0.997 8.982 1.00 0.00 C ATOM 471 C ARG A 30 10.438 0.910 9.855 1.00 0.00 C ATOM 472 O ARG A 30 11.059 -0.148 9.965 1.00 0.00 O ATOM 473 CB ARG A 30 7.948 0.648 9.801 1.00 0.00 C ATOM 474 CG ARG A 30 6.702 0.449 8.952 1.00 0.00 C ATOM 475 CD ARG A 30 5.447 0.892 9.687 1.00 0.00 C ATOM 476 NE ARG A 30 4.679 -0.243 10.192 1.00 0.00 N ATOM 477 CZ ARG A 30 3.408 -0.165 10.581 1.00 0.00 C ATOM 478 NH1 ARG A 30 2.759 0.992 10.524 1.00 0.00 N ATOM 479 NH2 ARG A 30 2.784 -1.247 11.029 1.00 0.00 N ATOM 0 H ARG A 30 9.053 -0.860 8.019 1.00 0.00 H new ATOM 0 HA ARG A 30 9.101 2.021 8.618 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.140 -0.262 10.370 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.763 1.443 10.524 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.799 1.013 8.024 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.612 -0.602 8.678 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.724 1.541 10.518 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.823 1.482 9.016 1.00 0.00 H new ATOM 0 HE ARG A 30 5.144 -1.149 10.250 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.234 1.827 10.181 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.785 1.046 10.823 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.278 -2.138 11.075 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.810 -1.188 11.327 1.00 0.00 H new ATOM 493 N GLY A 31 10.802 2.032 10.469 1.00 0.00 N ATOM 494 CA GLY A 31 11.979 2.071 11.321 1.00 0.00 C ATOM 495 C GLY A 31 12.004 0.950 12.343 1.00 0.00 C ATOM 496 O GLY A 31 10.987 0.646 12.968 1.00 0.00 O ATOM 0 H GLY A 31 10.302 2.918 10.392 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.873 2.010 10.700 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.015 3.029 11.839 1.00 0.00 H new ATOM 500 N ASN A 32 13.170 0.335 12.511 1.00 0.00 N ATOM 501 CA ASN A 32 13.329 -0.762 13.461 1.00 0.00 C ATOM 502 C ASN A 32 12.351 -1.893 13.160 1.00 0.00 C ATOM 503 O ASN A 32 11.993 -2.667 14.048 1.00 0.00 O ATOM 504 CB ASN A 32 13.119 -0.257 14.890 1.00 0.00 C ATOM 505 CG ASN A 32 14.053 -0.924 15.881 1.00 0.00 C ATOM 506 OD1 ASN A 32 14.096 -2.150 15.984 1.00 0.00 O ATOM 507 ND2 ASN A 32 14.809 -0.116 16.618 1.00 0.00 N ATOM 0 H ASN A 32 14.020 0.577 12.002 1.00 0.00 H new ATOM 0 HA ASN A 32 14.343 -1.150 13.363 1.00 0.00 H new ATOM 0 HB2 ASN A 32 13.274 0.822 14.918 1.00 0.00 H new ATOM 0 HB3 ASN A 32 12.087 -0.439 15.189 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.457 -0.507 17.302 1.00 0.00 H new ATOM 0 HD22 ASN A 32 14.741 0.895 16.500 1.00 0.00 H new ATOM 514 N ARG A 33 11.923 -1.985 11.905 1.00 0.00 N ATOM 515 CA ARG A 33 10.989 -3.025 11.492 1.00 0.00 C ATOM 516 C ARG A 33 10.720 -2.950 9.990 1.00 0.00 C ATOM 517 O ARG A 33 9.577 -2.800 9.559 1.00 0.00 O ATOM 518 CB ARG A 33 9.674 -2.891 12.268 1.00 0.00 C ATOM 519 CG ARG A 33 8.687 -4.022 12.013 1.00 0.00 C ATOM 520 CD ARG A 33 9.304 -5.376 12.313 1.00 0.00 C ATOM 521 NE ARG A 33 9.574 -5.551 13.738 1.00 0.00 N ATOM 522 CZ ARG A 33 10.398 -6.474 14.229 1.00 0.00 C ATOM 523 NH1 ARG A 33 11.034 -7.306 13.414 1.00 0.00 N ATOM 524 NH2 ARG A 33 10.588 -6.564 15.537 1.00 0.00 N ATOM 0 H ARG A 33 12.208 -1.352 11.157 1.00 0.00 H new ATOM 0 HA ARG A 33 11.437 -3.994 11.713 1.00 0.00 H new ATOM 0 HB2 ARG A 33 9.896 -2.850 13.334 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.203 -1.944 12.003 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.801 -3.880 12.632 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.359 -3.993 10.974 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.633 -6.164 11.972 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.232 -5.484 11.752 1.00 0.00 H new ATOM 0 HE ARG A 33 9.103 -4.929 14.396 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.893 -7.240 12.406 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.664 -8.011 13.796 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.103 -5.926 16.168 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.219 -7.271 15.913 1.00 0.00 H new ATOM 538 N LYS A 34 11.782 -3.058 9.196 1.00 0.00 N ATOM 539 CA LYS A 34 11.653 -3.005 7.743 1.00 0.00 C ATOM 540 C LYS A 34 10.990 -4.275 7.220 1.00 0.00 C ATOM 541 O LYS A 34 10.807 -5.238 7.964 1.00 0.00 O ATOM 542 CB LYS A 34 13.019 -2.812 7.081 1.00 0.00 C ATOM 543 CG LYS A 34 14.120 -3.668 7.684 1.00 0.00 C ATOM 544 CD LYS A 34 14.917 -2.888 8.715 1.00 0.00 C ATOM 545 CE LYS A 34 15.401 -3.785 9.842 1.00 0.00 C ATOM 546 NZ LYS A 34 15.838 -3.000 11.029 1.00 0.00 N ATOM 0 H LYS A 34 12.737 -3.182 9.532 1.00 0.00 H new ATOM 0 HA LYS A 34 11.025 -2.151 7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 34 12.933 -3.042 6.019 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.304 -1.763 7.158 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.684 -4.552 8.150 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.785 -4.019 6.895 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.772 -2.415 8.233 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.299 -2.089 9.125 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.601 -4.467 10.132 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.230 -4.398 9.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.161 -3.649 11.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.618 -2.368 10.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.041 -2.434 11.384 1.00 0.00 H new ATOM 560 N SER A 35 10.623 -4.274 5.941 1.00 0.00 N ATOM 561 CA SER A 35 9.971 -5.430 5.334 1.00 0.00 C ATOM 562 C SER A 35 8.810 -5.908 6.200 1.00 0.00 C ATOM 563 O SER A 35 8.486 -7.096 6.225 1.00 0.00 O ATOM 564 CB SER A 35 10.978 -6.566 5.137 1.00 0.00 C ATOM 565 OG SER A 35 12.302 -6.065 5.054 1.00 0.00 O ATOM 0 H SER A 35 10.766 -3.488 5.307 1.00 0.00 H new ATOM 0 HA SER A 35 9.580 -5.130 4.361 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.903 -7.270 5.966 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.736 -7.117 4.228 1.00 0.00 H new ATOM 0 HG SER A 35 12.926 -6.810 4.930 1.00 0.00 H new ATOM 571 N ALA A 36 8.194 -4.973 6.918 1.00 0.00 N ATOM 572 CA ALA A 36 7.076 -5.289 7.795 1.00 0.00 C ATOM 573 C ALA A 36 5.965 -6.023 7.050 1.00 0.00 C ATOM 574 O ALA A 36 5.513 -7.083 7.479 1.00 0.00 O ATOM 575 CB ALA A 36 6.537 -4.013 8.430 1.00 0.00 C ATOM 0 H ALA A 36 8.453 -3.987 6.908 1.00 0.00 H new ATOM 0 HA ALA A 36 7.440 -5.955 8.577 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.701 -4.258 9.085 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.325 -3.535 9.011 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.199 -3.332 7.649 1.00 0.00 H new ATOM 581 N TYR A 37 5.525 -5.447 5.935 1.00 0.00 N ATOM 582 CA TYR A 37 4.462 -6.041 5.138 1.00 0.00 C ATOM 583 C TYR A 37 4.592 -5.678 3.661 1.00 0.00 C ATOM 584 O TYR A 37 5.143 -4.635 3.310 1.00 0.00 O ATOM 585 CB TYR A 37 3.097 -5.585 5.661 1.00 0.00 C ATOM 586 CG TYR A 37 2.241 -6.718 6.170 1.00 0.00 C ATOM 587 CD1 TYR A 37 2.538 -7.344 7.372 1.00 0.00 C ATOM 588 CD2 TYR A 37 1.146 -7.166 5.446 1.00 0.00 C ATOM 589 CE1 TYR A 37 1.764 -8.387 7.843 1.00 0.00 C ATOM 590 CE2 TYR A 37 0.365 -8.210 5.908 1.00 0.00 C ATOM 591 CZ TYR A 37 0.679 -8.818 7.106 1.00 0.00 C ATOM 592 OH TYR A 37 -0.094 -9.856 7.570 1.00 0.00 O ATOM 0 H TYR A 37 5.890 -4.569 5.565 1.00 0.00 H new ATOM 0 HA TYR A 37 4.549 -7.124 5.228 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.247 -4.863 6.464 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.565 -5.068 4.863 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.388 -7.011 7.949 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.899 -6.692 4.507 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.006 -8.862 8.782 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.486 -8.547 5.334 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.717 -9.522 8.249 1.00 0.00 H new ATOM 602 N GLN A 38 4.064 -6.548 2.805 1.00 0.00 N ATOM 603 CA GLN A 38 4.094 -6.339 1.361 1.00 0.00 C ATOM 604 C GLN A 38 3.058 -7.225 0.684 1.00 0.00 C ATOM 605 O GLN A 38 2.761 -8.317 1.165 1.00 0.00 O ATOM 606 CB GLN A 38 5.482 -6.630 0.775 1.00 0.00 C ATOM 607 CG GLN A 38 6.568 -6.868 1.816 1.00 0.00 C ATOM 608 CD GLN A 38 7.807 -7.515 1.228 1.00 0.00 C ATOM 609 OE1 GLN A 38 8.007 -7.510 0.014 1.00 0.00 O ATOM 610 NE2 GLN A 38 8.645 -8.080 2.089 1.00 0.00 N ATOM 0 H GLN A 38 3.606 -7.413 3.091 1.00 0.00 H new ATOM 0 HA GLN A 38 3.861 -5.291 1.174 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.414 -7.507 0.131 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.779 -5.793 0.143 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.842 -5.918 2.274 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.173 -7.502 2.609 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.440 -8.061 3.088 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.494 -8.533 1.752 1.00 0.00 H new ATOM 619 N GLY A 39 2.509 -6.757 -0.431 1.00 0.00 N ATOM 620 CA GLY A 39 1.512 -7.544 -1.133 1.00 0.00 C ATOM 621 C GLY A 39 1.134 -6.957 -2.476 1.00 0.00 C ATOM 622 O GLY A 39 1.987 -6.776 -3.346 1.00 0.00 O ATOM 0 H GLY A 39 2.733 -5.858 -0.858 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.892 -8.555 -1.279 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.619 -7.625 -0.514 1.00 0.00 H new ATOM 626 N ARG A 40 -0.151 -6.665 -2.649 1.00 0.00 N ATOM 627 CA ARG A 40 -0.646 -6.099 -3.891 1.00 0.00 C ATOM 628 C ARG A 40 -1.911 -5.302 -3.626 1.00 0.00 C ATOM 629 O ARG A 40 -2.521 -5.436 -2.566 1.00 0.00 O ATOM 630 CB ARG A 40 -0.922 -7.209 -4.910 1.00 0.00 C ATOM 631 CG ARG A 40 -2.104 -8.095 -4.547 1.00 0.00 C ATOM 632 CD ARG A 40 -1.779 -9.569 -4.738 1.00 0.00 C ATOM 633 NE ARG A 40 -2.785 -10.251 -5.551 1.00 0.00 N ATOM 634 CZ ARG A 40 -2.604 -11.448 -6.104 1.00 0.00 C ATOM 635 NH1 ARG A 40 -1.461 -12.100 -5.932 1.00 0.00 N ATOM 636 NH2 ARG A 40 -3.570 -11.995 -6.829 1.00 0.00 N ATOM 0 H ARG A 40 -0.868 -6.813 -1.939 1.00 0.00 H new ATOM 0 HA ARG A 40 0.113 -5.434 -4.303 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.104 -6.757 -5.885 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.031 -7.829 -5.008 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.389 -7.916 -3.510 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.962 -7.828 -5.164 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.803 -9.666 -5.213 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.710 -10.054 -3.764 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.678 -9.782 -5.703 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.716 -11.684 -5.374 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.328 -13.017 -6.358 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.451 -11.498 -6.963 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.432 -12.912 -7.253 1.00 0.00 H new ATOM 650 N TYR A 41 -2.301 -4.466 -4.575 1.00 0.00 N ATOM 651 CA TYR A 41 -3.493 -3.654 -4.400 1.00 0.00 C ATOM 652 C TYR A 41 -4.337 -3.590 -5.662 1.00 0.00 C ATOM 653 O TYR A 41 -3.844 -3.783 -6.772 1.00 0.00 O ATOM 654 CB TYR A 41 -3.117 -2.237 -3.974 1.00 0.00 C ATOM 655 CG TYR A 41 -1.870 -1.711 -4.647 1.00 0.00 C ATOM 656 CD1 TYR A 41 -0.616 -1.989 -4.126 1.00 0.00 C ATOM 657 CD2 TYR A 41 -1.947 -0.937 -5.801 1.00 0.00 C ATOM 658 CE1 TYR A 41 0.527 -1.513 -4.734 1.00 0.00 C ATOM 659 CE2 TYR A 41 -0.806 -0.459 -6.416 1.00 0.00 C ATOM 660 CZ TYR A 41 0.428 -0.750 -5.877 1.00 0.00 C ATOM 661 OH TYR A 41 1.568 -0.276 -6.485 1.00 0.00 O ATOM 0 H TYR A 41 -1.817 -4.333 -5.463 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.086 -4.131 -3.620 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.948 -1.568 -4.195 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.972 -2.218 -2.894 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.533 -2.587 -3.231 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -2.914 -0.706 -6.223 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.497 -1.738 -4.315 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.881 0.138 -7.313 1.00 0.00 H new ATOM 0 HH TYR A 41 2.350 -0.743 -6.123 1.00 0.00 H new ATOM 671 N GLU A 42 -5.611 -3.284 -5.465 1.00 0.00 N ATOM 672 CA GLU A 42 -6.553 -3.150 -6.568 1.00 0.00 C ATOM 673 C GLU A 42 -7.167 -1.757 -6.532 1.00 0.00 C ATOM 674 O GLU A 42 -7.667 -1.328 -5.498 1.00 0.00 O ATOM 675 CB GLU A 42 -7.647 -4.217 -6.474 1.00 0.00 C ATOM 676 CG GLU A 42 -7.881 -4.963 -7.778 1.00 0.00 C ATOM 677 CD GLU A 42 -9.331 -4.924 -8.222 1.00 0.00 C ATOM 678 OE1 GLU A 42 -10.178 -5.541 -7.542 1.00 0.00 O ATOM 679 OE2 GLU A 42 -9.619 -4.277 -9.250 1.00 0.00 O ATOM 0 H GLU A 42 -6.019 -3.123 -4.544 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.025 -3.291 -7.511 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.379 -4.934 -5.698 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.579 -3.744 -6.163 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.255 -4.529 -8.558 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.569 -6.001 -7.659 1.00 0.00 H new ATOM 686 N VAL A 43 -7.105 -1.047 -7.650 1.00 0.00 N ATOM 687 CA VAL A 43 -7.634 0.310 -7.717 1.00 0.00 C ATOM 688 C VAL A 43 -9.003 0.363 -8.390 1.00 0.00 C ATOM 689 O VAL A 43 -9.225 -0.253 -9.432 1.00 0.00 O ATOM 690 CB VAL A 43 -6.647 1.242 -8.456 1.00 0.00 C ATOM 691 CG1 VAL A 43 -7.312 2.550 -8.867 1.00 0.00 C ATOM 692 CG2 VAL A 43 -5.427 1.510 -7.584 1.00 0.00 C ATOM 0 H VAL A 43 -6.695 -1.386 -8.521 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.757 0.655 -6.690 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.327 0.738 -9.368 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.588 3.180 -9.384 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.149 2.339 -9.532 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.675 3.068 -7.979 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.738 2.168 -8.114 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.741 1.986 -6.655 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.928 0.568 -7.358 1.00 0.00 H new ATOM 702 N ARG A 44 -9.914 1.116 -7.778 1.00 0.00 N ATOM 703 CA ARG A 44 -11.266 1.274 -8.300 1.00 0.00 C ATOM 704 C ARG A 44 -11.749 2.709 -8.107 1.00 0.00 C ATOM 705 O ARG A 44 -12.451 3.009 -7.141 1.00 0.00 O ATOM 706 CB ARG A 44 -12.219 0.310 -7.595 1.00 0.00 C ATOM 707 CG ARG A 44 -11.752 -1.137 -7.619 1.00 0.00 C ATOM 708 CD ARG A 44 -12.654 -2.027 -6.781 1.00 0.00 C ATOM 709 NE ARG A 44 -12.565 -3.429 -7.182 1.00 0.00 N ATOM 710 CZ ARG A 44 -13.192 -3.938 -8.241 1.00 0.00 C ATOM 711 NH1 ARG A 44 -13.950 -3.164 -9.006 1.00 0.00 N ATOM 712 NH2 ARG A 44 -13.057 -5.224 -8.535 1.00 0.00 N ATOM 0 H ARG A 44 -9.737 1.629 -6.914 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.252 1.048 -9.366 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.341 0.626 -6.559 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.200 0.374 -8.065 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -11.736 -1.498 -8.647 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -10.730 -1.197 -7.244 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -12.381 -1.933 -5.730 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.686 -1.688 -6.874 1.00 0.00 H new ATOM 0 HE ARG A 44 -11.989 -4.054 -6.618 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -14.055 -2.174 -8.784 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -14.428 -3.559 -9.816 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -12.473 -5.822 -7.950 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -13.537 -5.615 -9.346 1.00 0.00 H new ATOM 726 N GLY A 45 -11.367 3.592 -9.023 1.00 0.00 N ATOM 727 CA GLY A 45 -11.771 4.982 -8.924 1.00 0.00 C ATOM 728 C GLY A 45 -11.117 5.688 -7.749 1.00 0.00 C ATOM 729 O GLY A 45 -11.780 6.412 -7.006 1.00 0.00 O ATOM 0 H GLY A 45 -10.786 3.370 -9.831 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.512 5.500 -9.847 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.855 5.037 -8.821 1.00 0.00 H new ATOM 733 N ALA A 46 -9.811 5.465 -7.580 1.00 0.00 N ATOM 734 CA ALA A 46 -9.043 6.068 -6.487 1.00 0.00 C ATOM 735 C ALA A 46 -9.127 5.229 -5.213 1.00 0.00 C ATOM 736 O ALA A 46 -8.336 5.416 -4.288 1.00 0.00 O ATOM 737 CB ALA A 46 -9.496 7.497 -6.215 1.00 0.00 C ATOM 0 H ALA A 46 -9.259 4.865 -8.193 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.001 6.095 -6.804 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.907 7.916 -5.399 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.355 8.100 -7.112 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.551 7.498 -5.939 1.00 0.00 H new ATOM 743 N HIS A 47 -10.072 4.293 -5.172 1.00 0.00 N ATOM 744 CA HIS A 47 -10.233 3.420 -4.017 1.00 0.00 C ATOM 745 C HIS A 47 -9.458 2.132 -4.242 1.00 0.00 C ATOM 746 O HIS A 47 -9.621 1.483 -5.274 1.00 0.00 O ATOM 747 CB HIS A 47 -11.714 3.104 -3.794 1.00 0.00 C ATOM 748 CG HIS A 47 -12.244 3.586 -2.479 1.00 0.00 C ATOM 749 ND1 HIS A 47 -12.410 2.760 -1.386 1.00 0.00 N ATOM 750 CD2 HIS A 47 -12.654 4.815 -2.082 1.00 0.00 C ATOM 751 CE1 HIS A 47 -12.900 3.458 -0.378 1.00 0.00 C ATOM 752 NE2 HIS A 47 -13.056 4.709 -0.775 1.00 0.00 N ATOM 0 H HIS A 47 -10.737 4.121 -5.926 1.00 0.00 H new ATOM 0 HA HIS A 47 -9.847 3.926 -3.132 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.297 3.555 -4.597 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.860 2.026 -3.861 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -12.663 5.712 -2.683 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.133 3.072 0.603 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -13.417 5.472 -0.202 1.00 0.00 H new ATOM 761 N ILE A 48 -8.608 1.761 -3.293 1.00 0.00 N ATOM 762 CA ILE A 48 -7.821 0.543 -3.452 1.00 0.00 C ATOM 763 C ILE A 48 -7.671 -0.228 -2.149 1.00 0.00 C ATOM 764 O ILE A 48 -7.636 0.348 -1.062 1.00 0.00 O ATOM 765 CB ILE A 48 -6.415 0.834 -4.062 1.00 0.00 C ATOM 766 CG1 ILE A 48 -5.279 0.267 -3.191 1.00 0.00 C ATOM 767 CG2 ILE A 48 -6.211 2.327 -4.290 1.00 0.00 C ATOM 768 CD1 ILE A 48 -5.060 1.024 -1.894 1.00 0.00 C ATOM 0 H ILE A 48 -8.447 2.271 -2.425 1.00 0.00 H new ATOM 0 HA ILE A 48 -8.380 -0.082 -4.149 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.380 0.327 -5.026 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.498 -0.775 -2.959 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.354 0.277 -3.767 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.222 2.498 -4.716 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.971 2.697 -4.978 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.293 2.855 -3.340 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.244 0.564 -1.337 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.808 2.061 -2.116 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.971 0.992 -1.296 1.00 0.00 H new ATOM 780 N ASN A 49 -7.561 -1.544 -2.285 1.00 0.00 N ATOM 781 CA ASN A 49 -7.385 -2.431 -1.152 1.00 0.00 C ATOM 782 C ASN A 49 -6.051 -3.155 -1.262 1.00 0.00 C ATOM 783 O ASN A 49 -5.411 -3.143 -2.311 1.00 0.00 O ATOM 784 CB ASN A 49 -8.545 -3.429 -1.092 1.00 0.00 C ATOM 785 CG ASN A 49 -8.234 -4.685 -0.295 1.00 0.00 C ATOM 786 OD1 ASN A 49 -8.379 -4.605 1.023 1.00 0.00 O flip ATOM 787 ND2 ASN A 49 -7.868 -5.715 -0.860 1.00 0.00 N flip ATOM 0 H ASN A 49 -7.592 -2.022 -3.186 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.382 -1.848 -0.231 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.413 -2.937 -0.653 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.820 -3.713 -2.108 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.770 -5.733 -1.875 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -7.663 -6.551 -0.313 1.00 0.00 H new ATOM 794 N TYR A 50 -5.643 -3.783 -0.174 1.00 0.00 N ATOM 795 CA TYR A 50 -4.390 -4.518 -0.135 1.00 0.00 C ATOM 796 C TYR A 50 -4.650 -5.944 0.316 1.00 0.00 C ATOM 797 O TYR A 50 -5.030 -6.174 1.459 1.00 0.00 O ATOM 798 CB TYR A 50 -3.416 -3.853 0.838 1.00 0.00 C ATOM 799 CG TYR A 50 -2.852 -2.535 0.349 1.00 0.00 C ATOM 800 CD1 TYR A 50 -1.834 -2.499 -0.593 1.00 0.00 C ATOM 801 CD2 TYR A 50 -3.336 -1.328 0.839 1.00 0.00 C ATOM 802 CE1 TYR A 50 -1.313 -1.298 -1.036 1.00 0.00 C ATOM 803 CE2 TYR A 50 -2.821 -0.122 0.400 1.00 0.00 C ATOM 804 CZ TYR A 50 -1.810 -0.112 -0.536 1.00 0.00 C ATOM 805 OH TYR A 50 -1.294 1.085 -0.974 1.00 0.00 O ATOM 0 H TYR A 50 -6.166 -3.799 0.702 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.953 -4.520 -1.134 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.925 -3.688 1.788 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.591 -4.538 1.034 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.442 -3.425 -0.987 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.127 -1.332 1.574 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.521 -1.288 -1.770 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.209 0.808 0.789 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.330 1.110 -0.798 1.00 0.00 H new ATOM 815 N TRP A 51 -4.444 -6.897 -0.578 1.00 0.00 N ATOM 816 CA TRP A 51 -4.658 -8.297 -0.244 1.00 0.00 C ATOM 817 C TRP A 51 -3.324 -9.021 -0.152 1.00 0.00 C ATOM 818 O TRP A 51 -2.804 -9.524 -1.149 1.00 0.00 O ATOM 819 CB TRP A 51 -5.566 -8.967 -1.280 1.00 0.00 C ATOM 820 CG TRP A 51 -5.698 -10.449 -1.093 1.00 0.00 C ATOM 821 CD1 TRP A 51 -6.553 -11.095 -0.246 1.00 0.00 C ATOM 822 CD2 TRP A 51 -4.952 -11.470 -1.766 1.00 0.00 C ATOM 823 NE1 TRP A 51 -6.384 -12.453 -0.349 1.00 0.00 N ATOM 824 CE2 TRP A 51 -5.407 -12.709 -1.276 1.00 0.00 C ATOM 825 CE3 TRP A 51 -3.944 -11.456 -2.733 1.00 0.00 C ATOM 826 CZ2 TRP A 51 -4.888 -13.922 -1.724 1.00 0.00 C ATOM 827 CZ3 TRP A 51 -3.429 -12.660 -3.176 1.00 0.00 C ATOM 828 CH2 TRP A 51 -3.902 -13.879 -2.672 1.00 0.00 C ATOM 0 H TRP A 51 -4.131 -6.730 -1.534 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.153 -8.353 0.726 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -6.556 -8.513 -1.231 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -5.174 -8.768 -2.277 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -7.260 -10.608 0.410 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -6.901 -13.157 0.178 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -3.574 -10.521 -3.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -5.251 -14.863 -1.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.649 -12.661 -3.923 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -3.480 -14.803 -3.039 1.00 0.00 H new ATOM 839 N ASP A 52 -2.770 -9.058 1.052 1.00 0.00 N ATOM 840 CA ASP A 52 -1.482 -9.707 1.279 1.00 0.00 C ATOM 841 C ASP A 52 -1.571 -11.213 1.086 1.00 0.00 C ATOM 842 O ASP A 52 -2.651 -11.801 1.162 1.00 0.00 O ATOM 843 CB ASP A 52 -0.963 -9.405 2.683 1.00 0.00 C ATOM 844 CG ASP A 52 -0.216 -8.089 2.752 1.00 0.00 C ATOM 845 OD1 ASP A 52 -0.871 -7.028 2.671 1.00 0.00 O ATOM 846 OD2 ASP A 52 1.026 -8.119 2.884 1.00 0.00 O ATOM 0 H ASP A 52 -3.190 -8.648 1.886 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.787 -9.305 0.542 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.801 -9.381 3.380 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.304 -10.211 3.005 1.00 0.00 H new ATOM 851 N ASP A 53 -0.421 -11.830 0.845 1.00 0.00 N ATOM 852 CA ASP A 53 -0.348 -13.271 0.649 1.00 0.00 C ATOM 853 C ASP A 53 -0.248 -14.006 1.984 1.00 0.00 C ATOM 854 O ASP A 53 -0.405 -15.226 2.040 1.00 0.00 O ATOM 855 CB ASP A 53 0.849 -13.627 -0.234 1.00 0.00 C ATOM 856 CG ASP A 53 0.538 -13.495 -1.712 1.00 0.00 C ATOM 857 OD1 ASP A 53 -0.199 -14.354 -2.242 1.00 0.00 O ATOM 858 OD2 ASP A 53 1.031 -12.536 -2.340 1.00 0.00 O ATOM 0 H ASP A 53 0.478 -11.352 0.781 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.265 -13.588 0.153 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.688 -12.978 0.017 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.162 -14.649 -0.022 1.00 0.00 H new ATOM 863 N THR A 54 0.022 -13.263 3.059 1.00 0.00 N ATOM 864 CA THR A 54 0.149 -13.863 4.384 1.00 0.00 C ATOM 865 C THR A 54 -1.185 -13.872 5.130 1.00 0.00 C ATOM 866 O THR A 54 -1.220 -13.911 6.359 1.00 0.00 O ATOM 867 CB THR A 54 1.210 -13.132 5.207 1.00 0.00 C ATOM 868 OG1 THR A 54 1.469 -13.821 6.418 1.00 0.00 O ATOM 869 CG2 THR A 54 0.826 -11.712 5.563 1.00 0.00 C ATOM 0 H THR A 54 0.156 -12.252 3.037 1.00 0.00 H new ATOM 0 HA THR A 54 0.461 -14.898 4.245 1.00 0.00 H new ATOM 0 HB THR A 54 2.094 -13.102 4.570 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.621 -14.039 6.858 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.625 -11.254 6.147 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.669 -11.138 4.650 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.093 -11.720 6.149 1.00 0.00 H new ATOM 877 N GLY A 55 -2.275 -13.866 4.376 1.00 0.00 N ATOM 878 CA GLY A 55 -3.597 -13.906 4.973 1.00 0.00 C ATOM 879 C GLY A 55 -4.068 -12.579 5.543 1.00 0.00 C ATOM 880 O GLY A 55 -4.904 -12.561 6.447 1.00 0.00 O ATOM 0 H GLY A 55 -2.268 -13.834 3.357 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.312 -14.239 4.221 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.601 -14.651 5.768 1.00 0.00 H new ATOM 884 N PHE A 56 -3.562 -11.462 5.020 1.00 0.00 N ATOM 885 CA PHE A 56 -3.978 -10.158 5.499 1.00 0.00 C ATOM 886 C PHE A 56 -4.643 -9.383 4.376 1.00 0.00 C ATOM 887 O PHE A 56 -4.486 -9.709 3.199 1.00 0.00 O ATOM 888 CB PHE A 56 -2.773 -9.374 6.054 1.00 0.00 C ATOM 889 CG PHE A 56 -2.823 -7.879 5.821 1.00 0.00 C ATOM 890 CD1 PHE A 56 -2.827 -7.357 4.532 1.00 0.00 C ATOM 891 CD2 PHE A 56 -2.879 -7.002 6.890 1.00 0.00 C ATOM 892 CE1 PHE A 56 -2.890 -5.990 4.318 1.00 0.00 C ATOM 893 CE2 PHE A 56 -2.937 -5.635 6.683 1.00 0.00 C ATOM 894 CZ PHE A 56 -2.944 -5.128 5.397 1.00 0.00 C ATOM 0 H PHE A 56 -2.870 -11.440 4.271 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.696 -10.295 6.307 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.701 -9.558 7.126 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.863 -9.767 5.602 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.780 -8.027 3.686 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.877 -7.389 7.898 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.897 -5.599 3.311 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.977 -4.963 7.528 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.992 -4.061 5.236 1.00 0.00 H new ATOM 904 N THR A 57 -5.347 -8.330 4.749 1.00 0.00 N ATOM 905 CA THR A 57 -5.997 -7.471 3.775 1.00 0.00 C ATOM 906 C THR A 57 -6.340 -6.123 4.391 1.00 0.00 C ATOM 907 O THR A 57 -6.721 -6.038 5.559 1.00 0.00 O ATOM 908 CB THR A 57 -7.246 -8.121 3.169 1.00 0.00 C ATOM 909 OG1 THR A 57 -8.423 -7.433 3.560 1.00 0.00 O ATOM 910 CG2 THR A 57 -7.432 -9.581 3.533 1.00 0.00 C ATOM 0 H THR A 57 -5.484 -8.049 5.720 1.00 0.00 H new ATOM 0 HA THR A 57 -5.288 -7.316 2.961 1.00 0.00 H new ATOM 0 HB THR A 57 -7.083 -8.057 2.093 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.204 -7.867 3.159 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.339 -9.961 3.062 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.574 -10.155 3.184 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.517 -9.678 4.615 1.00 0.00 H new ATOM 918 N ALA A 58 -6.192 -5.070 3.599 1.00 0.00 N ATOM 919 CA ALA A 58 -6.479 -3.716 4.074 1.00 0.00 C ATOM 920 C ALA A 58 -6.977 -2.814 2.950 1.00 0.00 C ATOM 921 O ALA A 58 -6.328 -2.676 1.917 1.00 0.00 O ATOM 922 CB ALA A 58 -5.240 -3.116 4.721 1.00 0.00 C ATOM 0 H ALA A 58 -5.877 -5.122 2.630 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.275 -3.787 4.815 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.464 -2.108 5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.935 -3.734 5.565 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.432 -3.075 3.991 1.00 0.00 H new ATOM 928 N ASP A 59 -8.137 -2.196 3.164 1.00 0.00 N ATOM 929 CA ASP A 59 -8.723 -1.304 2.168 1.00 0.00 C ATOM 930 C ASP A 59 -8.312 0.146 2.408 1.00 0.00 C ATOM 931 O ASP A 59 -8.027 0.543 3.537 1.00 0.00 O ATOM 932 CB ASP A 59 -10.249 -1.422 2.187 1.00 0.00 C ATOM 933 CG ASP A 59 -10.827 -1.220 3.574 1.00 0.00 C ATOM 934 OD1 ASP A 59 -10.625 -0.130 4.149 1.00 0.00 O ATOM 935 OD2 ASP A 59 -11.481 -2.154 4.085 1.00 0.00 O ATOM 0 H ASP A 59 -8.688 -2.297 4.016 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.348 -1.605 1.190 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -10.676 -0.685 1.507 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -10.539 -2.404 1.815 1.00 0.00 H new ATOM 940 N GLY A 60 -8.289 0.930 1.334 1.00 0.00 N ATOM 941 CA GLY A 60 -7.919 2.329 1.437 1.00 0.00 C ATOM 942 C GLY A 60 -8.597 3.177 0.379 1.00 0.00 C ATOM 943 O GLY A 60 -9.518 2.715 -0.295 1.00 0.00 O ATOM 0 H GLY A 60 -8.521 0.619 0.391 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.185 2.702 2.426 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.838 2.426 1.340 1.00 0.00 H new ATOM 947 N ASP A 61 -8.148 4.417 0.230 1.00 0.00 N ATOM 948 CA ASP A 61 -8.728 5.320 -0.758 1.00 0.00 C ATOM 949 C ASP A 61 -7.868 6.564 -0.942 1.00 0.00 C ATOM 950 O ASP A 61 -7.455 7.194 0.029 1.00 0.00 O ATOM 951 CB ASP A 61 -10.141 5.723 -0.337 1.00 0.00 C ATOM 952 CG ASP A 61 -10.185 6.296 1.066 1.00 0.00 C ATOM 953 OD1 ASP A 61 -10.265 5.503 2.029 1.00 0.00 O ATOM 954 OD2 ASP A 61 -10.140 7.536 1.203 1.00 0.00 O ATOM 0 H ASP A 61 -7.388 4.820 0.778 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.771 4.792 -1.711 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.530 6.460 -1.040 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.796 4.853 -0.392 1.00 0.00 H new ATOM 959 N PHE A 62 -7.610 6.918 -2.197 1.00 0.00 N ATOM 960 CA PHE A 62 -6.808 8.094 -2.505 1.00 0.00 C ATOM 961 C PHE A 62 -7.643 9.361 -2.385 1.00 0.00 C ATOM 962 O PHE A 62 -8.535 9.612 -3.196 1.00 0.00 O ATOM 963 CB PHE A 62 -6.223 8.003 -3.916 1.00 0.00 C ATOM 964 CG PHE A 62 -5.414 6.760 -4.182 1.00 0.00 C ATOM 965 CD1 PHE A 62 -5.086 5.876 -3.162 1.00 0.00 C ATOM 966 CD2 PHE A 62 -4.975 6.481 -5.468 1.00 0.00 C ATOM 967 CE1 PHE A 62 -4.340 4.742 -3.422 1.00 0.00 C ATOM 968 CE2 PHE A 62 -4.228 5.349 -5.732 1.00 0.00 C ATOM 969 CZ PHE A 62 -3.910 4.479 -4.708 1.00 0.00 C ATOM 0 H PHE A 62 -7.944 6.408 -3.015 1.00 0.00 H new ATOM 0 HA PHE A 62 -5.991 8.133 -1.785 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -7.039 8.050 -4.637 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.593 8.875 -4.090 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -5.418 6.077 -2.154 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.220 7.157 -6.273 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.093 4.062 -2.620 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -3.893 5.145 -6.738 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.326 3.594 -4.912 1.00 0.00 H new ATOM 979 N VAL A 63 -7.344 10.154 -1.370 1.00 0.00 N ATOM 980 CA VAL A 63 -8.061 11.404 -1.138 1.00 0.00 C ATOM 981 C VAL A 63 -7.558 12.511 -2.060 1.00 0.00 C ATOM 982 O VAL A 63 -8.246 13.507 -2.279 1.00 0.00 O ATOM 983 CB VAL A 63 -7.931 11.872 0.324 1.00 0.00 C ATOM 984 CG1 VAL A 63 -8.849 11.064 1.228 1.00 0.00 C ATOM 985 CG2 VAL A 63 -6.485 11.779 0.795 1.00 0.00 C ATOM 0 H VAL A 63 -6.609 9.957 -0.691 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.111 11.204 -1.353 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.235 12.917 0.377 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.743 11.409 2.256 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.882 11.194 0.906 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.581 10.009 1.170 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.417 12.114 1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.145 10.746 0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.856 12.410 0.167 1.00 0.00 H new ATOM 995 N SER A 64 -6.354 12.333 -2.599 1.00 0.00 N ATOM 996 CA SER A 64 -5.766 13.321 -3.495 1.00 0.00 C ATOM 997 C SER A 64 -4.837 12.654 -4.504 1.00 0.00 C ATOM 998 O SER A 64 -4.725 11.428 -4.543 1.00 0.00 O ATOM 999 CB SER A 64 -4.999 14.375 -2.695 1.00 0.00 C ATOM 1000 OG SER A 64 -4.780 15.543 -3.466 1.00 0.00 O ATOM 0 H SER A 64 -5.769 11.515 -2.430 1.00 0.00 H new ATOM 0 HA SER A 64 -6.575 13.808 -4.040 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.558 14.630 -1.794 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.042 13.965 -2.371 1.00 0.00 H new ATOM 0 HG SER A 64 -4.289 16.201 -2.931 1.00 0.00 H new ATOM 1006 N ALA A 65 -4.173 13.469 -5.317 1.00 0.00 N ATOM 1007 CA ALA A 65 -3.253 12.957 -6.326 1.00 0.00 C ATOM 1008 C ALA A 65 -1.937 12.518 -5.695 1.00 0.00 C ATOM 1009 O ALA A 65 -1.284 11.594 -6.179 1.00 0.00 O ATOM 1010 CB ALA A 65 -3.005 14.010 -7.394 1.00 0.00 C ATOM 0 H ALA A 65 -4.255 14.486 -5.297 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.710 12.084 -6.792 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.317 13.615 -8.141 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.949 14.272 -7.873 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.572 14.899 -6.935 1.00 0.00 H new ATOM 1016 N ASN A 66 -1.550 13.188 -4.614 1.00 0.00 N ATOM 1017 CA ASN A 66 -0.307 12.867 -3.919 1.00 0.00 C ATOM 1018 C ASN A 66 -0.573 12.382 -2.493 1.00 0.00 C ATOM 1019 O ASN A 66 0.359 12.018 -1.776 1.00 0.00 O ATOM 1020 CB ASN A 66 0.613 14.091 -3.889 1.00 0.00 C ATOM 1021 CG ASN A 66 1.649 14.079 -5.000 1.00 0.00 C ATOM 1022 OD1 ASN A 66 1.314 13.471 -6.137 1.00 0.00 O flip ATOM 1023 ND2 ASN A 66 2.746 14.612 -4.839 1.00 0.00 N flip ATOM 0 H ASN A 66 -2.078 13.956 -4.200 1.00 0.00 H new ATOM 0 HA ASN A 66 0.181 12.060 -4.466 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.010 14.995 -3.972 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.121 14.134 -2.926 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.966 15.068 -3.954 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.435 14.598 -5.591 1.00 0.00 H new ATOM 1030 N GLU A 67 -1.840 12.374 -2.083 1.00 0.00 N ATOM 1031 CA GLU A 67 -2.202 11.928 -0.740 1.00 0.00 C ATOM 1032 C GLU A 67 -2.877 10.561 -0.791 1.00 0.00 C ATOM 1033 O GLU A 67 -3.614 10.253 -1.728 1.00 0.00 O ATOM 1034 CB GLU A 67 -3.124 12.945 -0.068 1.00 0.00 C ATOM 1035 CG GLU A 67 -2.744 13.252 1.372 1.00 0.00 C ATOM 1036 CD GLU A 67 -3.412 14.506 1.897 1.00 0.00 C ATOM 1037 OE1 GLU A 67 -3.154 15.595 1.341 1.00 0.00 O ATOM 1038 OE2 GLU A 67 -4.194 14.402 2.866 1.00 0.00 O ATOM 0 H GLU A 67 -2.629 12.670 -2.658 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.288 11.843 -0.152 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.111 13.871 -0.644 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.146 12.568 -0.093 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.018 12.407 2.004 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.662 13.365 1.442 1.00 0.00 H new ATOM 1045 N LEU A 68 -2.611 9.741 0.220 1.00 0.00 N ATOM 1046 CA LEU A 68 -3.181 8.403 0.294 1.00 0.00 C ATOM 1047 C LEU A 68 -3.798 8.161 1.665 1.00 0.00 C ATOM 1048 O LEU A 68 -3.274 8.620 2.680 1.00 0.00 O ATOM 1049 CB LEU A 68 -2.081 7.370 -0.020 1.00 0.00 C ATOM 1050 CG LEU A 68 -2.273 5.931 0.501 1.00 0.00 C ATOM 1051 CD1 LEU A 68 -2.439 5.869 2.011 1.00 0.00 C ATOM 1052 CD2 LEU A 68 -3.450 5.272 -0.193 1.00 0.00 C ATOM 0 H LEU A 68 -2.002 9.982 1.002 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.979 8.301 -0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.967 7.321 -1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.142 7.749 0.382 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.361 5.382 0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.570 4.832 2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.552 6.282 2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.314 6.449 2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.573 4.257 0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.356 5.845 0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.267 5.240 -1.267 1.00 0.00 H new ATOM 1064 N HIS A 69 -4.904 7.429 1.692 1.00 0.00 N ATOM 1065 CA HIS A 69 -5.578 7.117 2.946 1.00 0.00 C ATOM 1066 C HIS A 69 -5.783 5.614 3.092 1.00 0.00 C ATOM 1067 O HIS A 69 -6.607 5.019 2.397 1.00 0.00 O ATOM 1068 CB HIS A 69 -6.923 7.832 3.035 1.00 0.00 C ATOM 1069 CG HIS A 69 -6.861 9.139 3.764 1.00 0.00 C ATOM 1070 ND1 HIS A 69 -7.984 9.807 4.206 1.00 0.00 N ATOM 1071 CD2 HIS A 69 -5.803 9.901 4.132 1.00 0.00 C ATOM 1072 CE1 HIS A 69 -7.620 10.924 4.810 1.00 0.00 C ATOM 1073 NE2 HIS A 69 -6.302 11.004 4.779 1.00 0.00 N ATOM 0 H HIS A 69 -5.353 7.041 0.862 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.941 7.466 3.759 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.300 8.005 2.027 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.639 7.180 3.535 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -4.761 9.682 3.950 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -8.287 11.649 5.254 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.745 11.763 5.172 1.00 0.00 H new ATOM 1082 N HIS A 70 -5.035 5.008 4.004 1.00 0.00 N ATOM 1083 CA HIS A 70 -5.143 3.573 4.247 1.00 0.00 C ATOM 1084 C HIS A 70 -5.032 3.273 5.738 1.00 0.00 C ATOM 1085 O HIS A 70 -4.193 3.842 6.435 1.00 0.00 O ATOM 1086 CB HIS A 70 -4.075 2.807 3.443 1.00 0.00 C ATOM 1087 CG HIS A 70 -2.848 2.424 4.221 1.00 0.00 C ATOM 1088 ND1 HIS A 70 -2.882 1.611 5.336 1.00 0.00 N ATOM 1089 CD2 HIS A 70 -1.544 2.731 4.026 1.00 0.00 C ATOM 1090 CE1 HIS A 70 -1.655 1.435 5.791 1.00 0.00 C ATOM 1091 NE2 HIS A 70 -0.825 2.105 5.013 1.00 0.00 N ATOM 0 H HIS A 70 -4.348 5.485 4.587 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.123 3.235 3.909 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.527 1.902 3.037 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -3.772 3.420 2.594 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.144 3.353 3.239 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.378 0.844 6.652 1.00 0.00 H new ATOM 0 HE2 HIS A 70 0.188 2.150 5.127 1.00 0.00 H new ATOM 1100 N GLY A 71 -5.890 2.380 6.222 1.00 0.00 N ATOM 1101 CA GLY A 71 -5.873 2.030 7.631 1.00 0.00 C ATOM 1102 C GLY A 71 -5.951 3.252 8.524 1.00 0.00 C ATOM 1103 O GLY A 71 -5.526 3.215 9.680 1.00 0.00 O ATOM 0 H GLY A 71 -6.594 1.894 5.666 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.711 1.368 7.850 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.962 1.475 7.855 1.00 0.00 H new ATOM 1107 N GLY A 72 -6.493 4.340 7.984 1.00 0.00 N ATOM 1108 CA GLY A 72 -6.616 5.566 8.747 1.00 0.00 C ATOM 1109 C GLY A 72 -5.328 6.367 8.781 1.00 0.00 C ATOM 1110 O GLY A 72 -5.150 7.222 9.649 1.00 0.00 O ATOM 0 H GLY A 72 -6.849 4.393 7.030 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.409 6.179 8.317 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.916 5.326 9.767 1.00 0.00 H new ATOM 1114 N MET A 73 -4.421 6.096 7.841 1.00 0.00 N ATOM 1115 CA MET A 73 -3.154 6.807 7.789 1.00 0.00 C ATOM 1116 C MET A 73 -3.102 7.746 6.591 1.00 0.00 C ATOM 1117 O MET A 73 -3.891 7.622 5.656 1.00 0.00 O ATOM 1118 CB MET A 73 -1.998 5.810 7.712 1.00 0.00 C ATOM 1119 CG MET A 73 -1.295 5.593 9.040 1.00 0.00 C ATOM 1120 SD MET A 73 -2.012 4.240 9.992 1.00 0.00 S ATOM 1121 CE MET A 73 -1.131 4.412 11.542 1.00 0.00 C ATOM 0 H MET A 73 -4.544 5.393 7.112 1.00 0.00 H new ATOM 0 HA MET A 73 -3.062 7.402 8.698 1.00 0.00 H new ATOM 0 HB2 MET A 73 -2.377 4.854 7.350 1.00 0.00 H new ATOM 0 HB3 MET A 73 -1.272 6.163 6.979 1.00 0.00 H new ATOM 0 HG2 MET A 73 -0.240 5.386 8.859 1.00 0.00 H new ATOM 0 HG3 MET A 73 -1.343 6.510 9.627 1.00 0.00 H new ATOM 0 HE1 MET A 73 -1.466 3.643 12.238 1.00 0.00 H new ATOM 0 HE2 MET A 73 -0.061 4.302 11.366 1.00 0.00 H new ATOM 0 HE3 MET A 73 -1.330 5.396 11.966 1.00 0.00 H new ATOM 1131 N THR A 74 -2.154 8.672 6.621 1.00 0.00 N ATOM 1132 CA THR A 74 -1.978 9.623 5.530 1.00 0.00 C ATOM 1133 C THR A 74 -0.619 9.417 4.880 1.00 0.00 C ATOM 1134 O THR A 74 0.416 9.739 5.462 1.00 0.00 O ATOM 1135 CB THR A 74 -2.106 11.061 6.033 1.00 0.00 C ATOM 1136 OG1 THR A 74 -3.309 11.233 6.762 1.00 0.00 O ATOM 1137 CG2 THR A 74 -2.092 12.085 4.918 1.00 0.00 C ATOM 0 H THR A 74 -1.493 8.786 7.390 1.00 0.00 H new ATOM 0 HA THR A 74 -2.761 9.449 4.792 1.00 0.00 H new ATOM 0 HB THR A 74 -1.235 11.226 6.668 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.371 12.159 7.077 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.186 13.085 5.341 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.154 12.011 4.368 1.00 0.00 H new ATOM 0 HG23 THR A 74 -2.926 11.897 4.241 1.00 0.00 H new ATOM 1145 N PHE A 75 -0.628 8.861 3.676 1.00 0.00 N ATOM 1146 CA PHE A 75 0.603 8.587 2.953 1.00 0.00 C ATOM 1147 C PHE A 75 0.758 9.508 1.751 1.00 0.00 C ATOM 1148 O PHE A 75 -0.103 9.552 0.873 1.00 0.00 O ATOM 1149 CB PHE A 75 0.610 7.127 2.505 1.00 0.00 C ATOM 1150 CG PHE A 75 1.101 6.186 3.559 1.00 0.00 C ATOM 1151 CD1 PHE A 75 2.458 6.019 3.773 1.00 0.00 C ATOM 1152 CD2 PHE A 75 0.204 5.470 4.337 1.00 0.00 C ATOM 1153 CE1 PHE A 75 2.916 5.157 4.748 1.00 0.00 C ATOM 1154 CE2 PHE A 75 0.658 4.605 5.314 1.00 0.00 C ATOM 1155 CZ PHE A 75 2.014 4.448 5.520 1.00 0.00 C ATOM 0 H PHE A 75 -1.477 8.591 3.180 1.00 0.00 H new ATOM 0 HA PHE A 75 1.446 8.772 3.619 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.400 6.839 2.213 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.238 7.029 1.619 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.166 6.569 3.171 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -0.858 5.589 4.178 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.977 5.036 4.908 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.048 4.052 5.916 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.370 3.772 6.283 1.00 0.00 H new ATOM 1165 N TYR A 76 1.870 10.231 1.708 1.00 0.00 N ATOM 1166 CA TYR A 76 2.143 11.131 0.605 1.00 0.00 C ATOM 1167 C TYR A 76 3.127 10.480 -0.348 1.00 0.00 C ATOM 1168 O TYR A 76 4.059 9.796 0.076 1.00 0.00 O ATOM 1169 CB TYR A 76 2.694 12.459 1.116 1.00 0.00 C ATOM 1170 CG TYR A 76 1.913 13.022 2.278 1.00 0.00 C ATOM 1171 CD1 TYR A 76 2.101 12.535 3.565 1.00 0.00 C ATOM 1172 CD2 TYR A 76 0.982 14.034 2.087 1.00 0.00 C ATOM 1173 CE1 TYR A 76 1.381 13.043 4.630 1.00 0.00 C ATOM 1174 CE2 TYR A 76 0.258 14.546 3.147 1.00 0.00 C ATOM 1175 CZ TYR A 76 0.461 14.047 4.417 1.00 0.00 C ATOM 1176 OH TYR A 76 -0.257 14.553 5.474 1.00 0.00 O ATOM 0 H TYR A 76 2.594 10.209 2.426 1.00 0.00 H new ATOM 0 HA TYR A 76 1.212 11.335 0.075 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.732 12.322 1.418 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.692 13.183 0.301 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.820 11.748 3.736 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.821 14.427 1.094 1.00 0.00 H new ATOM 0 HE1 TYR A 76 1.539 12.655 5.625 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.463 15.333 2.982 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.861 15.255 5.153 1.00 0.00 H new ATOM 1186 N ARG A 77 2.908 10.679 -1.634 1.00 0.00 N ATOM 1187 CA ARG A 77 3.770 10.091 -2.645 1.00 0.00 C ATOM 1188 C ARG A 77 5.215 10.533 -2.462 1.00 0.00 C ATOM 1189 O ARG A 77 5.474 11.645 -2.014 1.00 0.00 O ATOM 1190 CB ARG A 77 3.276 10.460 -4.045 1.00 0.00 C ATOM 1191 CG ARG A 77 3.737 9.493 -5.125 1.00 0.00 C ATOM 1192 CD ARG A 77 2.836 8.269 -5.200 1.00 0.00 C ATOM 1193 NE ARG A 77 1.952 8.309 -6.362 1.00 0.00 N ATOM 1194 CZ ARG A 77 2.336 7.988 -7.596 1.00 0.00 C ATOM 1195 NH1 ARG A 77 3.583 7.603 -7.833 1.00 0.00 N ATOM 1196 NH2 ARG A 77 1.467 8.052 -8.597 1.00 0.00 N ATOM 0 H ARG A 77 2.142 11.242 -2.004 1.00 0.00 H new ATOM 0 HA ARG A 77 3.732 9.008 -2.530 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.187 10.494 -4.040 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.625 11.462 -4.293 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.744 10.000 -6.090 1.00 0.00 H new ATOM 0 HG3 ARG A 77 4.761 9.180 -4.922 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.450 7.369 -5.243 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.237 8.204 -4.291 1.00 0.00 H new ATOM 0 HE ARG A 77 0.985 8.600 -6.220 1.00 0.00 H new ATOM 0 HH11 ARG A 77 4.255 7.551 -7.067 1.00 0.00 H new ATOM 0 HH12 ARG A 77 3.870 7.359 -8.781 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.507 8.347 -8.421 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.760 7.806 -9.543 1.00 0.00 H new ATOM 1210 N GLU A 78 6.134 9.630 -2.815 1.00 0.00 N ATOM 1211 CA GLU A 78 7.584 9.836 -2.726 1.00 0.00 C ATOM 1212 C GLU A 78 7.967 11.019 -1.840 1.00 0.00 C ATOM 1213 O GLU A 78 8.639 10.852 -0.821 1.00 0.00 O ATOM 1214 CB GLU A 78 8.166 10.018 -4.127 1.00 0.00 C ATOM 1215 CG GLU A 78 7.477 9.178 -5.193 1.00 0.00 C ATOM 1216 CD GLU A 78 8.452 8.615 -6.209 1.00 0.00 C ATOM 1217 OE1 GLU A 78 9.532 8.143 -5.797 1.00 0.00 O ATOM 1218 OE2 GLU A 78 8.134 8.644 -7.416 1.00 0.00 O ATOM 0 H GLU A 78 5.884 8.711 -3.180 1.00 0.00 H new ATOM 0 HA GLU A 78 8.005 8.947 -2.257 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.096 11.070 -4.405 1.00 0.00 H new ATOM 0 HB3 GLU A 78 9.226 9.763 -4.106 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.942 8.358 -4.715 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.733 9.787 -5.707 1.00 0.00 H new ATOM 1225 N LYS A 79 7.535 12.207 -2.236 1.00 0.00 N ATOM 1226 CA LYS A 79 7.825 13.422 -1.483 1.00 0.00 C ATOM 1227 C LYS A 79 9.323 13.712 -1.475 1.00 0.00 C ATOM 1228 O LYS A 79 10.070 12.978 -2.156 1.00 0.00 O ATOM 1229 CB LYS A 79 7.310 13.301 -0.044 1.00 0.00 C ATOM 1230 CG LYS A 79 5.799 13.446 0.084 1.00 0.00 C ATOM 1231 CD LYS A 79 5.420 14.706 0.852 1.00 0.00 C ATOM 1232 CE LYS A 79 4.921 15.799 -0.079 1.00 0.00 C ATOM 1233 NZ LYS A 79 5.678 17.070 0.099 1.00 0.00 N ATOM 1234 OXT LYS A 79 9.735 14.670 -0.789 1.00 0.00 O ATOM 0 H LYS A 79 6.980 12.358 -3.078 1.00 0.00 H new ATOM 0 HA LYS A 79 7.312 14.250 -1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.608 12.333 0.358 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.792 14.063 0.569 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.350 13.476 -0.909 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.391 12.573 0.592 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.647 14.469 1.583 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.285 15.068 1.408 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.011 15.465 -1.112 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.862 15.978 0.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.307 17.789 -0.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.571 17.403 1.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.685 16.906 -0.103 1.00 0.00 H new TER 1248 LYS A 79