USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 947 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 118 TYR OH : rot 165:sc= 0.992 USER MOD Set 1.2: A 124 LYS NZ :NH3+ -127:sc= 1.17 (180deg=0) USER MOD Set 2.1: A 120 THR OG1 : rot -10:sc= 0.787 USER MOD Set 2.2: A 123 GLN : amide:sc=-0.000771 K(o=0.79,f=-10!) USER MOD Set 3.1: A 96 THR OG1 : rot -142:sc= 1.65 USER MOD Set 3.2: A 101 THR OG1 : rot 74:sc= 0.58 USER MOD Set 4.1: A 52 TYR OH : rot 57:sc= 0.0981 USER MOD Set 4.2: A 69 SER OG : rot -144:sc= 1.03 USER MOD Single : A 20 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.0012) USER MOD Single : A 21 MET CE :methyl -169:sc=-0.00203 (180deg=-0.075) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 27 GLN : amide:sc= 0.128 K(o=0.13,f=-0.46) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.27) USER MOD Single : A 43 GLN : amide:sc= -0.263 X(o=-0.26,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.502 X(o=0.5,f=0.68) USER MOD Single : A 48 ASN : amide:sc= 0.4 X(o=0.4,f=0) USER MOD Single : A 49 GLN :FLIP amide:sc= -0.0291 F(o=-0.71,f=-0.029) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0.0197 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 130:sc= 0 USER MOD Single : A 70 TYR OH : rot -81:sc= 1.24 USER MOD Single : A 77 GLN : amide:sc= -0.0176 X(o=-0.018,f=0) USER MOD Single : A 80 THR OG1 : rot 69:sc= 0.266 USER MOD Single : A 85 LYS NZ :NH3+ -153:sc= 1.28 (180deg=1.16) USER MOD Single : A 89 GLN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 90 THR OG1 : rot 80:sc= 1.21 USER MOD Single : A 94 LYS NZ :NH3+ -156:sc= 0.427 (180deg=0.241) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0.0214 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 100 ASN :FLIP amide:sc= -0.0663 F(o=-0.79,f=-0.066) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.0842 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.704 X(o=-0.7,f=-0.34) USER MOD Single : A 114 LYS NZ :NH3+ -172:sc= 1.15 (180deg=1.08) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 GLN : amide:sc= -0.727 K(o=-0.73,f=-10!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot 151:sc= -0.756 USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 -1.791 -11.770 1.597 1.00 0.00 N ATOM 2 CA GLY A 19 -3.235 -11.971 1.423 1.00 0.00 C ATOM 3 C GLY A 19 -3.691 -13.292 2.025 1.00 0.00 C ATOM 4 O GLY A 19 -3.510 -14.342 1.400 1.00 0.00 O ATOM 0 HA2 GLY A 19 -3.777 -11.150 1.892 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.481 -11.950 0.361 1.00 0.00 H new ATOM 8 N HIS A 20 -4.289 -13.267 3.226 1.00 0.00 N ATOM 9 CA HIS A 20 -4.601 -14.454 4.028 1.00 0.00 C ATOM 10 C HIS A 20 -6.061 -14.527 4.520 1.00 0.00 C ATOM 11 O HIS A 20 -6.478 -15.601 4.955 1.00 0.00 O ATOM 12 CB HIS A 20 -3.612 -14.526 5.216 1.00 0.00 C ATOM 13 CG HIS A 20 -2.506 -15.554 5.091 1.00 0.00 C ATOM 14 ND1 HIS A 20 -1.887 -16.184 6.149 1.00 0.00 N ATOM 15 CD2 HIS A 20 -1.948 -16.045 3.940 1.00 0.00 C ATOM 16 CE1 HIS A 20 -0.993 -17.055 5.648 1.00 0.00 C ATOM 17 NE2 HIS A 20 -1.007 -17.017 4.303 1.00 0.00 N ATOM 0 H HIS A 20 -4.575 -12.397 3.675 1.00 0.00 H new ATOM 0 HA HIS A 20 -4.487 -15.320 3.375 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -3.157 -13.544 5.346 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -4.178 -14.737 6.123 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.190 -15.738 2.933 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -0.355 -17.694 6.241 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -0.443 -17.585 3.671 1.00 0.00 H new ATOM 25 N MET A 21 -6.855 -13.448 4.470 1.00 0.00 N ATOM 26 CA MET A 21 -8.256 -13.438 4.909 1.00 0.00 C ATOM 27 C MET A 21 -9.082 -12.481 4.044 1.00 0.00 C ATOM 28 O MET A 21 -9.249 -11.308 4.387 1.00 0.00 O ATOM 29 CB MET A 21 -8.363 -13.062 6.401 1.00 0.00 C ATOM 30 CG MET A 21 -8.308 -14.267 7.353 1.00 0.00 C ATOM 31 SD MET A 21 -9.837 -14.572 8.288 1.00 0.00 S ATOM 32 CE MET A 21 -10.919 -15.129 6.948 1.00 0.00 C ATOM 0 H MET A 21 -6.537 -12.545 4.118 1.00 0.00 H new ATOM 0 HA MET A 21 -8.659 -14.443 4.788 1.00 0.00 H new ATOM 0 HB2 MET A 21 -7.554 -12.376 6.652 1.00 0.00 H new ATOM 0 HB3 MET A 21 -9.297 -12.525 6.564 1.00 0.00 H new ATOM 0 HG2 MET A 21 -8.069 -15.159 6.774 1.00 0.00 H new ATOM 0 HG3 MET A 21 -7.491 -14.117 8.059 1.00 0.00 H new ATOM 0 HE1 MET A 21 -11.948 -15.173 7.305 1.00 0.00 H new ATOM 0 HE2 MET A 21 -10.854 -14.430 6.114 1.00 0.00 H new ATOM 0 HE3 MET A 21 -10.608 -16.120 6.617 1.00 0.00 H new ATOM 42 N LYS A 22 -9.664 -13.014 2.962 1.00 0.00 N ATOM 43 CA LYS A 22 -10.519 -12.304 2.002 1.00 0.00 C ATOM 44 C LYS A 22 -9.776 -11.137 1.342 1.00 0.00 C ATOM 45 O LYS A 22 -8.592 -10.901 1.581 1.00 0.00 O ATOM 46 CB LYS A 22 -11.873 -11.884 2.638 1.00 0.00 C ATOM 47 CG LYS A 22 -12.939 -12.987 2.644 1.00 0.00 C ATOM 48 CD LYS A 22 -12.643 -14.084 3.670 1.00 0.00 C ATOM 49 CE LYS A 22 -13.783 -15.097 3.792 1.00 0.00 C ATOM 50 NZ LYS A 22 -13.999 -15.874 2.558 1.00 0.00 N ATOM 0 H LYS A 22 -9.546 -13.998 2.721 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.767 -12.999 1.200 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.694 -11.563 3.664 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.263 -11.022 2.097 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.912 -12.546 2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.003 -13.431 1.651 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.728 -14.604 3.387 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.462 -13.627 4.643 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.567 -15.781 4.612 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.703 -14.571 4.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.783 -16.543 2.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.234 -15.228 1.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.133 -16.400 2.323 1.00 0.00 H new ATOM 64 N PHE A 23 -10.488 -10.423 0.468 1.00 0.00 N ATOM 65 CA PHE A 23 -9.954 -9.466 -0.488 1.00 0.00 C ATOM 66 C PHE A 23 -8.959 -10.166 -1.425 1.00 0.00 C ATOM 67 O PHE A 23 -8.818 -11.393 -1.420 1.00 0.00 O ATOM 68 CB PHE A 23 -9.411 -8.208 0.230 1.00 0.00 C ATOM 69 CG PHE A 23 -10.435 -7.141 0.565 1.00 0.00 C ATOM 70 CD1 PHE A 23 -11.738 -7.476 0.978 1.00 0.00 C ATOM 71 CD2 PHE A 23 -10.076 -5.786 0.449 1.00 0.00 C ATOM 72 CE1 PHE A 23 -12.682 -6.469 1.225 1.00 0.00 C ATOM 73 CE2 PHE A 23 -11.017 -4.781 0.720 1.00 0.00 C ATOM 74 CZ PHE A 23 -12.327 -5.116 1.097 1.00 0.00 C ATOM 0 H PHE A 23 -11.503 -10.505 0.409 1.00 0.00 H new ATOM 0 HA PHE A 23 -10.749 -9.088 -1.131 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -8.927 -8.522 1.155 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -8.640 -7.760 -0.397 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -12.012 -8.513 1.105 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -9.073 -5.518 0.150 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -13.688 -6.735 1.515 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -10.731 -3.743 0.638 1.00 0.00 H new ATOM 0 HZ PHE A 23 -13.055 -4.341 1.287 1.00 0.00 H new ATOM 84 N THR A 24 -8.325 -9.377 -2.279 1.00 0.00 N ATOM 85 CA THR A 24 -7.154 -9.745 -3.042 1.00 0.00 C ATOM 86 C THR A 24 -6.069 -8.762 -2.633 1.00 0.00 C ATOM 87 O THR A 24 -6.372 -7.635 -2.231 1.00 0.00 O ATOM 88 CB THR A 24 -7.473 -9.738 -4.545 1.00 0.00 C ATOM 89 OG1 THR A 24 -8.471 -8.794 -4.918 1.00 0.00 O ATOM 90 CG2 THR A 24 -8.063 -11.085 -4.893 1.00 0.00 C ATOM 0 H THR A 24 -8.631 -8.421 -2.463 1.00 0.00 H new ATOM 0 HA THR A 24 -6.813 -10.760 -2.839 1.00 0.00 H new ATOM 0 HB THR A 24 -6.542 -9.493 -5.057 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.622 -8.843 -5.885 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.302 -11.114 -5.956 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.342 -11.869 -4.661 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.972 -11.245 -4.313 1.00 0.00 H new ATOM 98 N ASP A 25 -4.817 -9.204 -2.669 1.00 0.00 N ATOM 99 CA ASP A 25 -3.729 -8.519 -1.977 1.00 0.00 C ATOM 100 C ASP A 25 -3.536 -7.106 -2.537 1.00 0.00 C ATOM 101 O ASP A 25 -3.313 -6.155 -1.786 1.00 0.00 O ATOM 102 CB ASP A 25 -2.464 -9.373 -2.091 1.00 0.00 C ATOM 103 CG ASP A 25 -1.408 -8.959 -1.069 1.00 0.00 C ATOM 104 OD1 ASP A 25 -1.608 -9.249 0.134 1.00 0.00 O ATOM 105 OD2 ASP A 25 -0.363 -8.410 -1.490 1.00 0.00 O ATOM 0 H ASP A 25 -4.528 -10.041 -3.175 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.969 -8.398 -0.921 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.719 -10.423 -1.945 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.053 -9.282 -3.096 1.00 0.00 H new ATOM 110 N GLN A 26 -3.739 -6.941 -3.851 1.00 0.00 N ATOM 111 CA GLN A 26 -3.570 -5.664 -4.533 1.00 0.00 C ATOM 112 C GLN A 26 -4.606 -4.658 -4.021 1.00 0.00 C ATOM 113 O GLN A 26 -4.254 -3.502 -3.765 1.00 0.00 O ATOM 114 CB GLN A 26 -3.677 -5.786 -6.066 1.00 0.00 C ATOM 115 CG GLN A 26 -3.275 -7.114 -6.736 1.00 0.00 C ATOM 116 CD GLN A 26 -4.418 -7.898 -7.372 1.00 0.00 C ATOM 117 OE1 GLN A 26 -4.539 -9.097 -7.155 1.00 0.00 O ATOM 118 NE2 GLN A 26 -5.320 -7.279 -8.131 1.00 0.00 N ATOM 0 H GLN A 26 -4.027 -7.699 -4.469 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.562 -5.315 -4.308 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.711 -5.577 -6.342 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.065 -4.997 -6.503 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.530 -6.903 -7.504 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.794 -7.747 -5.990 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.230 -6.280 -8.319 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.101 -7.803 -8.525 1.00 0.00 H new ATOM 127 N GLN A 27 -5.867 -5.089 -3.856 1.00 0.00 N ATOM 128 CA GLN A 27 -6.949 -4.234 -3.378 1.00 0.00 C ATOM 129 C GLN A 27 -6.625 -3.728 -1.973 1.00 0.00 C ATOM 130 O GLN A 27 -6.951 -2.588 -1.639 1.00 0.00 O ATOM 131 CB GLN A 27 -8.289 -4.998 -3.374 1.00 0.00 C ATOM 132 CG GLN A 27 -8.827 -5.406 -4.760 1.00 0.00 C ATOM 133 CD GLN A 27 -9.696 -4.394 -5.499 1.00 0.00 C ATOM 134 OE1 GLN A 27 -10.502 -3.678 -4.908 1.00 0.00 O ATOM 135 NE2 GLN A 27 -9.560 -4.358 -6.816 1.00 0.00 N ATOM 0 H GLN A 27 -6.159 -6.046 -4.053 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.045 -3.383 -4.053 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.172 -5.898 -2.770 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.038 -4.379 -2.881 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.974 -5.646 -5.395 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.404 -6.323 -4.641 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.882 -4.966 -7.275 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.134 -3.723 -7.371 1.00 0.00 H new ATOM 144 N ILE A 28 -5.994 -4.568 -1.151 1.00 0.00 N ATOM 145 CA ILE A 28 -5.599 -4.220 0.203 1.00 0.00 C ATOM 146 C ILE A 28 -4.468 -3.185 0.140 1.00 0.00 C ATOM 147 O ILE A 28 -4.524 -2.194 0.865 1.00 0.00 O ATOM 148 CB ILE A 28 -5.208 -5.493 0.989 1.00 0.00 C ATOM 149 CG1 ILE A 28 -6.346 -6.541 1.010 1.00 0.00 C ATOM 150 CG2 ILE A 28 -4.849 -5.116 2.429 1.00 0.00 C ATOM 151 CD1 ILE A 28 -5.905 -7.929 1.494 1.00 0.00 C ATOM 0 H ILE A 28 -5.742 -5.520 -1.416 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.432 -3.769 0.742 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.352 -5.938 0.483 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.147 -6.180 1.655 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.761 -6.632 0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.574 -6.014 2.982 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.010 -4.421 2.425 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.708 -4.645 2.907 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.758 -8.607 1.480 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.126 -8.313 0.836 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.518 -7.854 2.510 1.00 0.00 H new ATOM 163 N GLY A 29 -3.463 -3.392 -0.717 1.00 0.00 N ATOM 164 CA GLY A 29 -2.290 -2.528 -0.811 1.00 0.00 C ATOM 165 C GLY A 29 -2.627 -1.082 -1.163 1.00 0.00 C ATOM 166 O GLY A 29 -1.997 -0.168 -0.625 1.00 0.00 O ATOM 0 H GLY A 29 -3.444 -4.174 -1.371 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.757 -2.548 0.139 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.612 -2.929 -1.565 1.00 0.00 H new ATOM 170 N VAL A 30 -3.630 -0.868 -2.021 1.00 0.00 N ATOM 171 CA VAL A 30 -4.118 0.469 -2.347 1.00 0.00 C ATOM 172 C VAL A 30 -4.706 1.119 -1.091 1.00 0.00 C ATOM 173 O VAL A 30 -4.371 2.260 -0.784 1.00 0.00 O ATOM 174 CB VAL A 30 -5.125 0.396 -3.516 1.00 0.00 C ATOM 175 CG1 VAL A 30 -5.875 1.712 -3.754 1.00 0.00 C ATOM 176 CG2 VAL A 30 -4.401 0.053 -4.826 1.00 0.00 C ATOM 0 H VAL A 30 -4.123 -1.617 -2.506 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.295 1.100 -2.683 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.842 -0.375 -3.232 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.566 1.591 -4.589 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.433 1.980 -2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.160 2.501 -3.986 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.125 0.005 -5.640 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.660 0.822 -5.044 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.904 -0.912 -4.725 1.00 0.00 H new ATOM 186 N LEU A 31 -5.575 0.419 -0.351 1.00 0.00 N ATOM 187 CA LEU A 31 -6.201 0.988 0.845 1.00 0.00 C ATOM 188 C LEU A 31 -5.144 1.310 1.891 1.00 0.00 C ATOM 189 O LEU A 31 -5.184 2.374 2.506 1.00 0.00 O ATOM 190 CB LEU A 31 -7.223 0.027 1.467 1.00 0.00 C ATOM 191 CG LEU A 31 -8.423 -0.303 0.574 1.00 0.00 C ATOM 192 CD1 LEU A 31 -9.263 -1.416 1.206 1.00 0.00 C ATOM 193 CD2 LEU A 31 -9.310 0.919 0.368 1.00 0.00 C ATOM 0 H LEU A 31 -5.859 -0.538 -0.560 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.717 1.896 0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.715 -0.902 1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.589 0.461 2.397 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.034 -0.628 -0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.113 -1.641 0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.651 -2.310 1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.624 -1.090 2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -10.153 0.653 -0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.680 1.267 1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.732 1.712 -0.106 1.00 0.00 H new ATOM 205 N ALA A 32 -4.209 0.381 2.087 1.00 0.00 N ATOM 206 CA ALA A 32 -3.068 0.557 2.970 1.00 0.00 C ATOM 207 C ALA A 32 -2.307 1.821 2.584 1.00 0.00 C ATOM 208 O ALA A 32 -1.910 2.591 3.455 1.00 0.00 O ATOM 209 CB ALA A 32 -2.157 -0.675 2.920 1.00 0.00 C ATOM 0 H ALA A 32 -4.228 -0.529 1.626 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.422 0.667 3.995 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.308 -0.527 3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.717 -1.555 3.236 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.797 -0.821 1.901 1.00 0.00 H new ATOM 215 N GLY A 33 -2.086 2.049 1.291 1.00 0.00 N ATOM 216 CA GLY A 33 -1.374 3.226 0.836 1.00 0.00 C ATOM 217 C GLY A 33 -2.217 4.471 1.079 1.00 0.00 C ATOM 218 O GLY A 33 -1.671 5.522 1.405 1.00 0.00 O ATOM 0 H GLY A 33 -2.394 1.428 0.543 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.423 3.312 1.362 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.144 3.134 -0.225 1.00 0.00 H new ATOM 222 N LEU A 34 -3.544 4.420 0.952 1.00 0.00 N ATOM 223 CA LEU A 34 -4.377 5.598 1.200 1.00 0.00 C ATOM 224 C LEU A 34 -4.277 6.086 2.652 1.00 0.00 C ATOM 225 O LEU A 34 -4.614 7.239 2.940 1.00 0.00 O ATOM 226 CB LEU A 34 -5.833 5.324 0.805 1.00 0.00 C ATOM 227 CG LEU A 34 -6.203 5.953 -0.544 1.00 0.00 C ATOM 228 CD1 LEU A 34 -5.448 5.380 -1.745 1.00 0.00 C ATOM 229 CD2 LEU A 34 -7.705 5.783 -0.784 1.00 0.00 C ATOM 0 H LEU A 34 -4.061 3.584 0.681 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.995 6.403 0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.997 4.247 0.758 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.495 5.714 1.578 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.914 7.002 -0.471 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.774 5.884 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.378 5.534 -1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.653 4.313 -1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.973 6.229 -1.742 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.954 4.722 -0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.259 6.277 0.014 1.00 0.00 H new ATOM 241 N ALA A 35 -3.798 5.230 3.555 1.00 0.00 N ATOM 242 CA ALA A 35 -3.461 5.553 4.938 1.00 0.00 C ATOM 243 C ALA A 35 -2.031 6.098 5.126 1.00 0.00 C ATOM 244 O ALA A 35 -1.761 6.653 6.191 1.00 0.00 O ATOM 245 CB ALA A 35 -3.648 4.303 5.811 1.00 0.00 C ATOM 0 H ALA A 35 -3.627 4.250 3.331 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.136 6.354 5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.397 4.540 6.845 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.685 3.973 5.756 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.994 3.508 5.453 1.00 0.00 H new ATOM 251 N ILE A 36 -1.114 5.919 4.167 1.00 0.00 N ATOM 252 CA ILE A 36 0.290 6.324 4.209 1.00 0.00 C ATOM 253 C ILE A 36 0.614 6.958 2.844 1.00 0.00 C ATOM 254 O ILE A 36 0.960 6.260 1.893 1.00 0.00 O ATOM 255 CB ILE A 36 1.234 5.134 4.534 1.00 0.00 C ATOM 256 CG1 ILE A 36 1.176 4.675 6.013 1.00 0.00 C ATOM 257 CG2 ILE A 36 2.721 5.524 4.339 1.00 0.00 C ATOM 258 CD1 ILE A 36 -0.008 3.816 6.426 1.00 0.00 C ATOM 0 H ILE A 36 -1.351 5.459 3.288 1.00 0.00 H new ATOM 0 HA ILE A 36 0.452 7.042 5.013 1.00 0.00 H new ATOM 0 HB ILE A 36 0.892 4.349 3.860 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.089 4.120 6.231 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.185 5.564 6.644 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.355 4.669 4.575 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.886 5.824 3.304 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.969 6.354 5.001 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.075 3.566 7.484 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.934 4.366 6.255 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.016 2.900 5.836 1.00 0.00 H new ATOM 270 N SER A 37 0.546 8.282 2.757 1.00 0.00 N ATOM 271 CA SER A 37 0.767 9.111 1.572 1.00 0.00 C ATOM 272 C SER A 37 -0.200 8.761 0.421 1.00 0.00 C ATOM 273 O SER A 37 0.209 8.165 -0.582 1.00 0.00 O ATOM 274 CB SER A 37 2.263 9.139 1.199 1.00 0.00 C ATOM 275 OG SER A 37 2.631 10.435 0.754 1.00 0.00 O ATOM 0 H SER A 37 0.318 8.849 3.574 1.00 0.00 H new ATOM 0 HA SER A 37 0.510 10.144 1.809 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.866 8.858 2.062 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.464 8.407 0.417 1.00 0.00 H new ATOM 0 HG SER A 37 3.583 10.443 0.521 1.00 0.00 H new ATOM 281 N PRO A 38 -1.489 9.144 0.532 1.00 0.00 N ATOM 282 CA PRO A 38 -2.468 9.026 -0.550 1.00 0.00 C ATOM 283 C PRO A 38 -2.054 9.834 -1.788 1.00 0.00 C ATOM 284 O PRO A 38 -2.106 9.322 -2.905 1.00 0.00 O ATOM 285 CB PRO A 38 -3.807 9.475 0.034 1.00 0.00 C ATOM 286 CG PRO A 38 -3.421 10.338 1.229 1.00 0.00 C ATOM 287 CD PRO A 38 -2.121 9.711 1.716 1.00 0.00 C ATOM 0 HA PRO A 38 -2.539 7.999 -0.909 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.390 10.040 -0.694 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.415 8.623 0.338 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.281 11.380 0.943 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.189 10.320 2.002 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.478 10.456 2.184 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.313 8.941 2.464 1.00 0.00 H new ATOM 295 N GLU A 39 -1.622 11.088 -1.607 1.00 0.00 N ATOM 296 CA GLU A 39 -1.312 12.000 -2.714 1.00 0.00 C ATOM 297 C GLU A 39 -0.164 11.478 -3.585 1.00 0.00 C ATOM 298 O GLU A 39 -0.102 11.780 -4.777 1.00 0.00 O ATOM 299 CB GLU A 39 -0.961 13.391 -2.161 1.00 0.00 C ATOM 300 CG GLU A 39 -2.191 14.098 -1.577 1.00 0.00 C ATOM 301 CD GLU A 39 -1.838 15.370 -0.800 1.00 0.00 C ATOM 302 OE1 GLU A 39 -1.088 15.286 0.200 1.00 0.00 O ATOM 303 OE2 GLU A 39 -2.418 16.442 -1.095 1.00 0.00 O ATOM 0 H GLU A 39 -1.477 11.500 -0.685 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.198 12.066 -3.345 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.197 13.293 -1.390 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.534 14.002 -2.957 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.876 14.352 -2.386 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.719 13.410 -0.916 1.00 0.00 H new ATOM 310 N TRP A 40 0.751 10.684 -3.022 1.00 0.00 N ATOM 311 CA TRP A 40 1.788 10.014 -3.792 1.00 0.00 C ATOM 312 C TRP A 40 1.134 9.004 -4.736 1.00 0.00 C ATOM 313 O TRP A 40 1.163 9.198 -5.950 1.00 0.00 O ATOM 314 CB TRP A 40 2.817 9.395 -2.843 1.00 0.00 C ATOM 315 CG TRP A 40 3.826 8.489 -3.475 1.00 0.00 C ATOM 316 CD1 TRP A 40 4.848 8.860 -4.273 1.00 0.00 C ATOM 317 CD2 TRP A 40 3.897 7.039 -3.399 1.00 0.00 C ATOM 318 NE1 TRP A 40 5.595 7.747 -4.613 1.00 0.00 N ATOM 319 CE2 TRP A 40 5.049 6.587 -4.103 1.00 0.00 C ATOM 320 CE3 TRP A 40 3.070 6.063 -2.821 1.00 0.00 C ATOM 321 CZ2 TRP A 40 5.386 5.223 -4.183 1.00 0.00 C ATOM 322 CZ3 TRP A 40 3.394 4.699 -2.881 1.00 0.00 C ATOM 323 CH2 TRP A 40 4.547 4.273 -3.567 1.00 0.00 C ATOM 0 H TRP A 40 0.789 10.492 -2.021 1.00 0.00 H new ATOM 0 HA TRP A 40 2.336 10.721 -4.415 1.00 0.00 H new ATOM 0 HB2 TRP A 40 3.348 10.202 -2.337 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.284 8.834 -2.076 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.052 9.870 -4.596 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.447 7.780 -5.173 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.164 6.369 -2.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.275 4.909 -4.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 2.756 3.973 -2.399 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.788 3.222 -3.621 1.00 0.00 H new ATOM 334 N LEU A 41 0.491 7.962 -4.196 1.00 0.00 N ATOM 335 CA LEU A 41 -0.077 6.856 -4.974 1.00 0.00 C ATOM 336 C LEU A 41 -0.983 7.385 -6.083 1.00 0.00 C ATOM 337 O LEU A 41 -0.871 6.969 -7.237 1.00 0.00 O ATOM 338 CB LEU A 41 -0.828 5.912 -4.032 1.00 0.00 C ATOM 339 CG LEU A 41 -1.419 4.617 -4.639 1.00 0.00 C ATOM 340 CD1 LEU A 41 -1.681 3.566 -3.548 1.00 0.00 C ATOM 341 CD2 LEU A 41 -2.763 4.826 -5.343 1.00 0.00 C ATOM 0 H LEU A 41 0.349 7.863 -3.191 1.00 0.00 H new ATOM 0 HA LEU A 41 0.726 6.299 -5.457 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.148 5.627 -3.229 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.644 6.472 -3.575 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.670 4.291 -5.361 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.096 2.666 -4.002 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.745 3.321 -3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.388 3.965 -2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.116 3.876 -5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.491 5.212 -4.630 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.640 5.540 -6.158 1.00 0.00 H new ATOM 353 N LYS A 42 -1.875 8.316 -5.737 1.00 0.00 N ATOM 354 CA LYS A 42 -2.845 8.891 -6.664 1.00 0.00 C ATOM 355 C LYS A 42 -2.129 9.575 -7.827 1.00 0.00 C ATOM 356 O LYS A 42 -2.491 9.314 -8.977 1.00 0.00 O ATOM 357 CB LYS A 42 -3.777 9.853 -5.904 1.00 0.00 C ATOM 358 CG LYS A 42 -4.649 9.109 -4.870 1.00 0.00 C ATOM 359 CD LYS A 42 -5.366 10.022 -3.860 1.00 0.00 C ATOM 360 CE LYS A 42 -6.742 10.548 -4.294 1.00 0.00 C ATOM 361 NZ LYS A 42 -6.692 11.453 -5.457 1.00 0.00 N ATOM 0 H LYS A 42 -1.943 8.695 -4.792 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.461 8.100 -7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.181 10.612 -5.398 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.420 10.373 -6.614 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.396 8.520 -5.402 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.020 8.407 -4.322 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.486 9.474 -2.925 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.722 10.876 -3.649 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.386 9.701 -4.531 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -7.201 11.073 -3.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.606 11.938 -5.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -5.940 12.157 -5.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.495 10.903 -6.317 1.00 0.00 H new ATOM 375 N GLN A 43 -1.105 10.396 -7.568 1.00 0.00 N ATOM 376 CA GLN A 43 -0.290 10.969 -8.637 1.00 0.00 C ATOM 377 C GLN A 43 0.418 9.881 -9.447 1.00 0.00 C ATOM 378 O GLN A 43 0.474 9.978 -10.671 1.00 0.00 O ATOM 379 CB GLN A 43 0.767 11.934 -8.091 1.00 0.00 C ATOM 380 CG GLN A 43 0.240 13.340 -7.758 1.00 0.00 C ATOM 381 CD GLN A 43 1.342 14.401 -7.807 1.00 0.00 C ATOM 382 OE1 GLN A 43 1.092 15.561 -8.123 1.00 0.00 O ATOM 383 NE2 GLN A 43 2.589 14.047 -7.547 1.00 0.00 N ATOM 0 H GLN A 43 -0.824 10.676 -6.628 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.977 11.516 -9.282 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.204 11.502 -7.191 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.569 12.025 -8.823 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.549 13.606 -8.462 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.209 13.331 -6.765 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.802 13.085 -7.284 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.338 14.736 -7.609 1.00 0.00 H new ATOM 392 N ASN A 44 0.960 8.847 -8.799 1.00 0.00 N ATOM 393 CA ASN A 44 1.720 7.815 -9.498 1.00 0.00 C ATOM 394 C ASN A 44 0.811 7.126 -10.519 1.00 0.00 C ATOM 395 O ASN A 44 1.169 6.992 -11.691 1.00 0.00 O ATOM 396 CB ASN A 44 2.293 6.748 -8.552 1.00 0.00 C ATOM 397 CG ASN A 44 2.994 7.201 -7.276 1.00 0.00 C ATOM 398 OD1 ASN A 44 2.916 6.480 -6.290 1.00 0.00 O ATOM 399 ND2 ASN A 44 3.749 8.284 -7.223 1.00 0.00 N ATOM 0 H ASN A 44 0.885 8.705 -7.792 1.00 0.00 H new ATOM 0 HA ASN A 44 2.561 8.311 -9.983 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.475 6.089 -8.263 1.00 0.00 H new ATOM 0 HB3 ASN A 44 3.001 6.147 -9.122 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.257 8.510 -6.368 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.823 8.894 -8.037 1.00 0.00 H new ATOM 406 N ILE A 45 -0.386 6.712 -10.087 1.00 0.00 N ATOM 407 CA ILE A 45 -1.390 6.087 -10.943 1.00 0.00 C ATOM 408 C ILE A 45 -1.824 7.052 -12.054 1.00 0.00 C ATOM 409 O ILE A 45 -2.085 6.612 -13.174 1.00 0.00 O ATOM 410 CB ILE A 45 -2.592 5.610 -10.095 1.00 0.00 C ATOM 411 CG1 ILE A 45 -2.253 4.422 -9.166 1.00 0.00 C ATOM 412 CG2 ILE A 45 -3.788 5.245 -10.988 1.00 0.00 C ATOM 413 CD1 ILE A 45 -2.004 3.084 -9.876 1.00 0.00 C ATOM 0 H ILE A 45 -0.685 6.805 -9.116 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.954 5.211 -11.423 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.856 6.453 -9.456 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.366 4.677 -8.586 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.071 4.292 -8.457 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.619 4.913 -10.366 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.092 6.119 -11.564 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.502 4.444 -11.669 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.775 2.317 -9.136 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.896 2.796 -10.433 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.165 3.188 -10.564 1.00 0.00 H new ATOM 425 N ALA A 46 -1.882 8.364 -11.800 1.00 0.00 N ATOM 426 CA ALA A 46 -2.290 9.322 -12.821 1.00 0.00 C ATOM 427 C ALA A 46 -1.305 9.396 -14.002 1.00 0.00 C ATOM 428 O ALA A 46 -1.653 9.991 -15.026 1.00 0.00 O ATOM 429 CB ALA A 46 -2.529 10.701 -12.209 1.00 0.00 C ATOM 0 H ALA A 46 -1.652 8.781 -10.898 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.232 8.959 -13.233 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.832 11.398 -12.990 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.315 10.634 -11.457 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.610 11.056 -11.742 1.00 0.00 H new ATOM 435 N ALA A 47 -0.131 8.760 -13.915 1.00 0.00 N ATOM 436 CA ALA A 47 0.772 8.542 -15.041 1.00 0.00 C ATOM 437 C ALA A 47 1.096 7.055 -15.253 1.00 0.00 C ATOM 438 O ALA A 47 1.973 6.703 -16.042 1.00 0.00 O ATOM 439 CB ALA A 47 2.012 9.429 -14.879 1.00 0.00 C ATOM 0 H ALA A 47 0.222 8.376 -13.038 1.00 0.00 H new ATOM 0 HA ALA A 47 0.272 8.841 -15.962 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.687 9.267 -15.719 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.710 10.476 -14.853 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.522 9.175 -13.950 1.00 0.00 H new ATOM 445 N ASN A 48 0.377 6.159 -14.569 1.00 0.00 N ATOM 446 CA ASN A 48 0.592 4.712 -14.555 1.00 0.00 C ATOM 447 C ASN A 48 2.056 4.349 -14.218 1.00 0.00 C ATOM 448 O ASN A 48 2.617 3.385 -14.746 1.00 0.00 O ATOM 449 CB ASN A 48 0.045 4.089 -15.855 1.00 0.00 C ATOM 450 CG ASN A 48 -0.514 2.691 -15.638 1.00 0.00 C ATOM 451 OD1 ASN A 48 -1.715 2.462 -15.747 1.00 0.00 O ATOM 452 ND2 ASN A 48 0.336 1.729 -15.341 1.00 0.00 N ATOM 0 H ASN A 48 -0.409 6.439 -13.982 1.00 0.00 H new ATOM 0 HA ASN A 48 0.021 4.263 -13.742 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.737 4.731 -16.261 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.842 4.048 -16.598 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.001 0.777 -15.198 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.331 1.936 -15.254 1.00 0.00 H new ATOM 459 N GLN A 49 2.680 5.155 -13.351 1.00 0.00 N ATOM 460 CA GLN A 49 4.080 5.073 -12.922 1.00 0.00 C ATOM 461 C GLN A 49 4.328 4.151 -11.721 1.00 0.00 C ATOM 462 O GLN A 49 5.460 4.060 -11.256 1.00 0.00 O ATOM 463 CB GLN A 49 4.559 6.491 -12.544 1.00 0.00 C ATOM 464 CG GLN A 49 4.701 7.419 -13.757 1.00 0.00 C ATOM 465 CD GLN A 49 5.747 6.976 -14.775 1.00 0.00 C ATOM 466 OE1 GLN A 49 6.712 6.167 -14.379 1.00 0.00 O flip ATOM 467 NE2 GLN A 49 5.682 7.368 -15.937 1.00 0.00 N flip ATOM 0 H GLN A 49 2.190 5.929 -12.903 1.00 0.00 H new ATOM 0 HA GLN A 49 4.631 4.647 -13.761 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.854 6.930 -11.838 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.519 6.420 -12.033 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.735 7.493 -14.257 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.956 8.419 -13.405 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.928 7.993 -16.223 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.382 7.069 -16.616 1.00 0.00 H new ATOM 476 N LEU A 50 3.295 3.527 -11.168 1.00 0.00 N ATOM 477 CA LEU A 50 3.363 2.759 -9.923 1.00 0.00 C ATOM 478 C LEU A 50 3.685 1.305 -10.245 1.00 0.00 C ATOM 479 O LEU A 50 3.028 0.701 -11.102 1.00 0.00 O ATOM 480 CB LEU A 50 2.024 2.861 -9.166 1.00 0.00 C ATOM 481 CG LEU A 50 1.929 2.008 -7.883 1.00 0.00 C ATOM 482 CD1 LEU A 50 2.917 2.442 -6.806 1.00 0.00 C ATOM 483 CD2 LEU A 50 0.503 2.100 -7.337 1.00 0.00 C ATOM 0 H LEU A 50 2.362 3.539 -11.580 1.00 0.00 H new ATOM 0 HA LEU A 50 4.149 3.165 -9.286 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.852 3.905 -8.903 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.220 2.566 -9.840 1.00 0.00 H new ATOM 0 HG LEU A 50 2.184 0.982 -8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.802 1.805 -5.929 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.934 2.353 -7.188 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.722 3.478 -6.530 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.421 1.501 -6.430 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.267 3.139 -7.108 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.197 1.725 -8.083 1.00 0.00 H new ATOM 495 N VAL A 51 4.618 0.714 -9.503 1.00 0.00 N ATOM 496 CA VAL A 51 4.995 -0.693 -9.559 1.00 0.00 C ATOM 497 C VAL A 51 4.713 -1.316 -8.185 1.00 0.00 C ATOM 498 O VAL A 51 4.621 -0.626 -7.165 1.00 0.00 O ATOM 499 CB VAL A 51 6.456 -0.832 -10.030 1.00 0.00 C ATOM 500 CG1 VAL A 51 6.888 -2.300 -10.157 1.00 0.00 C ATOM 501 CG2 VAL A 51 6.618 -0.204 -11.424 1.00 0.00 C ATOM 0 H VAL A 51 5.159 1.232 -8.811 1.00 0.00 H new ATOM 0 HA VAL A 51 4.404 -1.241 -10.293 1.00 0.00 H new ATOM 0 HB VAL A 51 7.070 -0.331 -9.282 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.924 -2.347 -10.492 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.797 -2.791 -9.188 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.250 -2.806 -10.882 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.653 -0.306 -11.751 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.963 -0.713 -12.131 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.354 0.853 -11.380 1.00 0.00 H new ATOM 511 N TYR A 52 4.472 -2.624 -8.210 1.00 0.00 N ATOM 512 CA TYR A 52 4.090 -3.472 -7.108 1.00 0.00 C ATOM 513 C TYR A 52 4.935 -4.747 -7.195 1.00 0.00 C ATOM 514 O TYR A 52 5.195 -5.234 -8.301 1.00 0.00 O ATOM 515 CB TYR A 52 2.596 -3.801 -7.259 1.00 0.00 C ATOM 516 CG TYR A 52 2.180 -4.907 -6.329 1.00 0.00 C ATOM 517 CD1 TYR A 52 2.012 -4.608 -4.976 1.00 0.00 C ATOM 518 CD2 TYR A 52 2.186 -6.244 -6.773 1.00 0.00 C ATOM 519 CE1 TYR A 52 1.954 -5.642 -4.046 1.00 0.00 C ATOM 520 CE2 TYR A 52 2.123 -7.295 -5.840 1.00 0.00 C ATOM 521 CZ TYR A 52 2.061 -6.984 -4.464 1.00 0.00 C ATOM 522 OH TYR A 52 2.006 -7.953 -3.521 1.00 0.00 O ATOM 0 H TYR A 52 4.548 -3.152 -9.079 1.00 0.00 H new ATOM 0 HA TYR A 52 4.253 -2.991 -6.143 1.00 0.00 H new ATOM 0 HB2 TYR A 52 2.003 -2.909 -7.054 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.388 -4.092 -8.289 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.928 -3.581 -4.653 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.239 -6.462 -7.829 1.00 0.00 H new ATOM 0 HE1 TYR A 52 1.826 -5.415 -2.998 1.00 0.00 H new ATOM 0 HE2 TYR A 52 2.122 -8.323 -6.171 1.00 0.00 H new ATOM 0 HH TYR A 52 1.166 -7.877 -3.022 1.00 0.00 H new ATOM 532 N GLY A 53 5.264 -5.358 -6.055 1.00 0.00 N ATOM 533 CA GLY A 53 5.884 -6.673 -6.019 1.00 0.00 C ATOM 534 C GLY A 53 5.783 -7.302 -4.638 1.00 0.00 C ATOM 535 O GLY A 53 5.348 -6.659 -3.684 1.00 0.00 O ATOM 0 H GLY A 53 5.106 -4.950 -5.134 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.404 -7.322 -6.751 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.932 -6.590 -6.306 1.00 0.00 H new ATOM 539 N ILE A 54 6.197 -8.564 -4.521 1.00 0.00 N ATOM 540 CA ILE A 54 6.531 -9.187 -3.246 1.00 0.00 C ATOM 541 C ILE A 54 8.043 -9.060 -3.088 1.00 0.00 C ATOM 542 O ILE A 54 8.771 -9.150 -4.074 1.00 0.00 O ATOM 543 CB ILE A 54 6.077 -10.665 -3.237 1.00 0.00 C ATOM 544 CG1 ILE A 54 4.541 -10.799 -3.303 1.00 0.00 C ATOM 545 CG2 ILE A 54 6.630 -11.454 -2.030 1.00 0.00 C ATOM 546 CD1 ILE A 54 3.811 -10.351 -2.030 1.00 0.00 C ATOM 0 H ILE A 54 6.310 -9.187 -5.320 1.00 0.00 H new ATOM 0 HA ILE A 54 6.021 -8.702 -2.413 1.00 0.00 H new ATOM 0 HB ILE A 54 6.500 -11.106 -4.140 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.173 -10.212 -4.144 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.287 -11.840 -3.506 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.278 -12.485 -2.077 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.720 -11.441 -2.055 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.283 -10.994 -1.105 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.737 -10.479 -2.163 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.147 -10.954 -1.187 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.030 -9.301 -1.835 1.00 0.00 H new ATOM 558 N VAL A 55 8.494 -8.933 -1.842 1.00 0.00 N ATOM 559 CA VAL A 55 9.880 -8.829 -1.427 1.00 0.00 C ATOM 560 C VAL A 55 10.804 -9.828 -2.121 1.00 0.00 C ATOM 561 O VAL A 55 11.741 -9.384 -2.786 1.00 0.00 O ATOM 562 CB VAL A 55 9.922 -8.851 0.115 1.00 0.00 C ATOM 563 CG1 VAL A 55 11.313 -9.162 0.674 1.00 0.00 C ATOM 564 CG2 VAL A 55 9.535 -7.442 0.602 1.00 0.00 C ATOM 0 H VAL A 55 7.855 -8.898 -1.048 1.00 0.00 H new ATOM 0 HA VAL A 55 10.296 -7.878 -1.760 1.00 0.00 H new ATOM 0 HB VAL A 55 9.244 -9.632 0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 55 11.276 -9.163 1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 55 11.636 -10.141 0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 55 12.019 -8.404 0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.553 -7.416 1.692 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.245 -6.714 0.210 1.00 0.00 H new ATOM 0 HG23 VAL A 55 8.533 -7.198 0.250 1.00 0.00 H new ATOM 574 N LYS A 56 10.537 -11.134 -1.972 1.00 0.00 N ATOM 575 CA LYS A 56 11.333 -12.246 -2.490 1.00 0.00 C ATOM 576 C LYS A 56 12.783 -12.253 -1.979 1.00 0.00 C ATOM 577 O LYS A 56 13.245 -11.298 -1.351 1.00 0.00 O ATOM 578 CB LYS A 56 11.203 -12.288 -4.029 1.00 0.00 C ATOM 579 CG LYS A 56 9.799 -12.780 -4.435 1.00 0.00 C ATOM 580 CD LYS A 56 9.866 -13.775 -5.594 1.00 0.00 C ATOM 581 CE LYS A 56 8.493 -14.424 -5.792 1.00 0.00 C ATOM 582 NZ LYS A 56 8.338 -15.103 -7.091 1.00 0.00 N ATOM 0 H LYS A 56 9.716 -11.455 -1.459 1.00 0.00 H new ATOM 0 HA LYS A 56 10.930 -13.178 -2.094 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.382 -11.296 -4.443 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.962 -12.949 -4.447 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.315 -13.250 -3.579 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.183 -11.928 -4.721 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.174 -13.265 -6.507 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.615 -14.540 -5.388 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.324 -15.146 -4.993 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.723 -13.659 -5.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.386 -15.518 -7.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.468 -14.415 -7.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.050 -15.856 -7.176 1.00 0.00 H new ATOM 596 N PRO A 57 13.514 -13.371 -2.142 1.00 0.00 N ATOM 597 CA PRO A 57 14.934 -13.420 -1.801 1.00 0.00 C ATOM 598 C PRO A 57 15.792 -12.663 -2.826 1.00 0.00 C ATOM 599 O PRO A 57 16.888 -12.207 -2.500 1.00 0.00 O ATOM 600 CB PRO A 57 15.279 -14.912 -1.743 1.00 0.00 C ATOM 601 CG PRO A 57 14.267 -15.563 -2.683 1.00 0.00 C ATOM 602 CD PRO A 57 13.027 -14.694 -2.521 1.00 0.00 C ATOM 0 HA PRO A 57 15.141 -12.927 -0.851 1.00 0.00 H new ATOM 0 HB2 PRO A 57 16.303 -15.098 -2.068 1.00 0.00 H new ATOM 0 HB3 PRO A 57 15.191 -15.303 -0.729 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.622 -15.569 -3.714 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.071 -16.599 -2.407 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.457 -14.650 -3.449 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.363 -15.099 -1.758 1.00 0.00 H new ATOM 610 N SER A 58 15.313 -12.530 -4.063 1.00 0.00 N ATOM 611 CA SER A 58 16.043 -12.018 -5.216 1.00 0.00 C ATOM 612 C SER A 58 15.650 -10.563 -5.494 1.00 0.00 C ATOM 613 O SER A 58 15.077 -10.252 -6.541 1.00 0.00 O ATOM 614 CB SER A 58 15.856 -12.986 -6.404 1.00 0.00 C ATOM 615 OG SER A 58 14.705 -13.815 -6.268 1.00 0.00 O ATOM 0 H SER A 58 14.355 -12.791 -4.297 1.00 0.00 H new ATOM 0 HA SER A 58 17.115 -11.983 -5.021 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.776 -12.410 -7.326 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.742 -13.615 -6.497 1.00 0.00 H new ATOM 0 HG SER A 58 14.634 -14.406 -7.047 1.00 0.00 H new ATOM 621 N ASP A 59 15.958 -9.687 -4.535 1.00 0.00 N ATOM 622 CA ASP A 59 15.906 -8.223 -4.613 1.00 0.00 C ATOM 623 C ASP A 59 16.851 -7.684 -3.513 1.00 0.00 C ATOM 624 O ASP A 59 17.615 -8.470 -2.939 1.00 0.00 O ATOM 625 CB ASP A 59 14.456 -7.726 -4.437 1.00 0.00 C ATOM 626 CG ASP A 59 14.205 -6.331 -5.032 1.00 0.00 C ATOM 627 OD1 ASP A 59 15.177 -5.593 -5.310 1.00 0.00 O ATOM 628 OD2 ASP A 59 13.018 -5.944 -5.187 1.00 0.00 O ATOM 0 H ASP A 59 16.273 -10.003 -3.618 1.00 0.00 H new ATOM 0 HA ASP A 59 16.232 -7.860 -5.588 1.00 0.00 H new ATOM 0 HB2 ASP A 59 13.777 -8.439 -4.906 1.00 0.00 H new ATOM 0 HB3 ASP A 59 14.214 -7.707 -3.374 1.00 0.00 H new ATOM 633 N THR A 60 16.848 -6.387 -3.200 1.00 0.00 N ATOM 634 CA THR A 60 17.575 -5.793 -2.074 1.00 0.00 C ATOM 635 C THR A 60 16.567 -5.144 -1.127 1.00 0.00 C ATOM 636 O THR A 60 15.956 -4.124 -1.467 1.00 0.00 O ATOM 637 CB THR A 60 18.634 -4.799 -2.584 1.00 0.00 C ATOM 638 OG1 THR A 60 19.680 -5.498 -3.228 1.00 0.00 O ATOM 639 CG2 THR A 60 19.286 -3.972 -1.472 1.00 0.00 C ATOM 0 H THR A 60 16.323 -5.698 -3.740 1.00 0.00 H new ATOM 0 HA THR A 60 18.115 -6.561 -1.520 1.00 0.00 H new ATOM 0 HB THR A 60 18.100 -4.128 -3.257 1.00 0.00 H new ATOM 0 HG1 THR A 60 20.349 -4.860 -3.552 1.00 0.00 H new ATOM 0 HG21 THR A 60 20.021 -3.294 -1.906 1.00 0.00 H new ATOM 0 HG22 THR A 60 18.522 -3.394 -0.953 1.00 0.00 H new ATOM 0 HG23 THR A 60 19.780 -4.638 -0.765 1.00 0.00 H new ATOM 647 N VAL A 61 16.399 -5.737 0.058 1.00 0.00 N ATOM 648 CA VAL A 61 15.425 -5.328 1.066 1.00 0.00 C ATOM 649 C VAL A 61 16.032 -5.298 2.481 1.00 0.00 C ATOM 650 O VAL A 61 17.090 -5.900 2.709 1.00 0.00 O ATOM 651 CB VAL A 61 14.204 -6.271 0.992 1.00 0.00 C ATOM 652 CG1 VAL A 61 13.480 -6.096 -0.350 1.00 0.00 C ATOM 653 CG2 VAL A 61 14.594 -7.745 1.198 1.00 0.00 C ATOM 0 H VAL A 61 16.956 -6.540 0.349 1.00 0.00 H new ATOM 0 HA VAL A 61 15.108 -4.307 0.854 1.00 0.00 H new ATOM 0 HB VAL A 61 13.532 -5.997 1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.621 -6.766 -0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 61 13.141 -5.065 -0.449 1.00 0.00 H new ATOM 0 HG13 VAL A 61 14.163 -6.333 -1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.702 -8.369 1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 61 15.301 -8.046 0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 61 15.055 -7.866 2.178 1.00 0.00 H new ATOM 663 N PRO A 62 15.371 -4.620 3.440 1.00 0.00 N ATOM 664 CA PRO A 62 15.741 -4.630 4.854 1.00 0.00 C ATOM 665 C PRO A 62 15.342 -5.935 5.549 1.00 0.00 C ATOM 666 O PRO A 62 14.633 -6.774 4.987 1.00 0.00 O ATOM 667 CB PRO A 62 15.030 -3.420 5.466 1.00 0.00 C ATOM 668 CG PRO A 62 13.809 -3.236 4.575 1.00 0.00 C ATOM 669 CD PRO A 62 14.289 -3.675 3.204 1.00 0.00 C ATOM 0 HA PRO A 62 16.822 -4.569 4.980 1.00 0.00 H new ATOM 0 HB2 PRO A 62 14.746 -3.603 6.502 1.00 0.00 H new ATOM 0 HB3 PRO A 62 15.667 -2.536 5.461 1.00 0.00 H new ATOM 0 HG2 PRO A 62 12.970 -3.841 4.917 1.00 0.00 H new ATOM 0 HG3 PRO A 62 13.472 -2.199 4.568 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.481 -4.140 2.639 1.00 0.00 H new ATOM 0 HD3 PRO A 62 14.636 -2.822 2.621 1.00 0.00 H new ATOM 677 N ALA A 63 15.772 -6.091 6.803 1.00 0.00 N ATOM 678 CA ALA A 63 15.497 -7.266 7.610 1.00 0.00 C ATOM 679 C ALA A 63 14.056 -7.257 8.119 1.00 0.00 C ATOM 680 O ALA A 63 13.587 -6.250 8.671 1.00 0.00 O ATOM 681 CB ALA A 63 16.465 -7.326 8.801 1.00 0.00 C ATOM 0 H ALA A 63 16.330 -5.388 7.288 1.00 0.00 H new ATOM 0 HA ALA A 63 15.637 -8.147 6.983 1.00 0.00 H new ATOM 0 HB1 ALA A 63 16.250 -8.211 9.400 1.00 0.00 H new ATOM 0 HB2 ALA A 63 17.490 -7.376 8.434 1.00 0.00 H new ATOM 0 HB3 ALA A 63 16.342 -6.434 9.415 1.00 0.00 H new ATOM 687 N GLY A 64 13.398 -8.409 8.023 1.00 0.00 N ATOM 688 CA GLY A 64 12.119 -8.699 8.644 1.00 0.00 C ATOM 689 C GLY A 64 10.931 -8.231 7.815 1.00 0.00 C ATOM 690 O GLY A 64 10.016 -7.625 8.375 1.00 0.00 O ATOM 0 H GLY A 64 13.761 -9.196 7.486 1.00 0.00 H new ATOM 0 HA2 GLY A 64 12.038 -9.773 8.809 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.081 -8.222 9.623 1.00 0.00 H new ATOM 694 N VAL A 65 10.942 -8.488 6.507 1.00 0.00 N ATOM 695 CA VAL A 65 9.838 -8.243 5.574 1.00 0.00 C ATOM 696 C VAL A 65 9.721 -9.432 4.594 1.00 0.00 C ATOM 697 O VAL A 65 9.473 -9.245 3.410 1.00 0.00 O ATOM 698 CB VAL A 65 10.006 -6.859 4.881 1.00 0.00 C ATOM 699 CG1 VAL A 65 9.561 -5.708 5.794 1.00 0.00 C ATOM 700 CG2 VAL A 65 11.429 -6.548 4.391 1.00 0.00 C ATOM 0 H VAL A 65 11.758 -8.891 6.046 1.00 0.00 H new ATOM 0 HA VAL A 65 8.890 -8.186 6.109 1.00 0.00 H new ATOM 0 HB VAL A 65 9.364 -6.936 4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.694 -4.759 5.274 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.510 -5.835 6.054 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.163 -5.711 6.703 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.446 -5.564 3.923 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.116 -6.559 5.237 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.736 -7.300 3.665 1.00 0.00 H new ATOM 710 N ASP A 66 9.919 -10.667 5.068 1.00 0.00 N ATOM 711 CA ASP A 66 10.488 -11.787 4.292 1.00 0.00 C ATOM 712 C ASP A 66 9.650 -12.291 3.105 1.00 0.00 C ATOM 713 O ASP A 66 10.161 -12.925 2.184 1.00 0.00 O ATOM 714 CB ASP A 66 10.736 -12.927 5.296 1.00 0.00 C ATOM 715 CG ASP A 66 11.816 -13.937 4.899 1.00 0.00 C ATOM 716 OD1 ASP A 66 11.555 -14.860 4.097 1.00 0.00 O ATOM 717 OD2 ASP A 66 12.879 -13.929 5.566 1.00 0.00 O ATOM 0 H ASP A 66 9.684 -10.927 6.026 1.00 0.00 H new ATOM 0 HA ASP A 66 11.396 -11.421 3.813 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.010 -12.488 6.256 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.800 -13.464 5.447 1.00 0.00 H new ATOM 722 N ASP A 67 8.379 -11.913 3.084 1.00 0.00 N ATOM 723 CA ASP A 67 7.383 -12.171 2.031 1.00 0.00 C ATOM 724 C ASP A 67 6.363 -11.027 1.934 1.00 0.00 C ATOM 725 O ASP A 67 5.286 -11.176 1.349 1.00 0.00 O ATOM 726 CB ASP A 67 6.736 -13.564 2.214 1.00 0.00 C ATOM 727 CG ASP A 67 5.326 -13.563 2.818 1.00 0.00 C ATOM 728 OD1 ASP A 67 5.127 -13.034 3.931 1.00 0.00 O ATOM 729 OD2 ASP A 67 4.389 -14.106 2.176 1.00 0.00 O ATOM 0 H ASP A 67 7.979 -11.378 3.855 1.00 0.00 H new ATOM 0 HA ASP A 67 7.891 -12.196 1.067 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.696 -14.057 1.243 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.385 -14.166 2.851 1.00 0.00 H new ATOM 734 N TYR A 68 6.699 -9.870 2.508 1.00 0.00 N ATOM 735 CA TYR A 68 5.861 -8.684 2.451 1.00 0.00 C ATOM 736 C TYR A 68 5.688 -8.255 0.993 1.00 0.00 C ATOM 737 O TYR A 68 6.538 -8.496 0.137 1.00 0.00 O ATOM 738 CB TYR A 68 6.469 -7.565 3.311 1.00 0.00 C ATOM 739 CG TYR A 68 6.172 -7.629 4.808 1.00 0.00 C ATOM 740 CD1 TYR A 68 6.083 -8.858 5.507 1.00 0.00 C ATOM 741 CD2 TYR A 68 5.802 -6.442 5.475 1.00 0.00 C ATOM 742 CE1 TYR A 68 5.637 -8.896 6.837 1.00 0.00 C ATOM 743 CE2 TYR A 68 5.315 -6.480 6.794 1.00 0.00 C ATOM 744 CZ TYR A 68 5.219 -7.712 7.474 1.00 0.00 C ATOM 745 OH TYR A 68 4.717 -7.759 8.738 1.00 0.00 O ATOM 0 H TYR A 68 7.567 -9.735 3.027 1.00 0.00 H new ATOM 0 HA TYR A 68 4.874 -8.905 2.858 1.00 0.00 H new ATOM 0 HB2 TYR A 68 7.550 -7.578 3.175 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.111 -6.608 2.931 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.362 -9.776 5.011 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.894 -5.493 4.967 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.614 -9.834 7.372 1.00 0.00 H new ATOM 0 HE2 TYR A 68 5.015 -5.567 7.286 1.00 0.00 H new ATOM 0 HH TYR A 68 5.171 -7.093 9.295 1.00 0.00 H new ATOM 755 N SER A 69 4.575 -7.601 0.721 1.00 0.00 N ATOM 756 CA SER A 69 4.305 -6.837 -0.466 1.00 0.00 C ATOM 757 C SER A 69 5.079 -5.509 -0.385 1.00 0.00 C ATOM 758 O SER A 69 5.334 -5.019 0.719 1.00 0.00 O ATOM 759 CB SER A 69 2.787 -6.632 -0.444 1.00 0.00 C ATOM 760 OG SER A 69 2.055 -7.846 -0.273 1.00 0.00 O ATOM 0 H SER A 69 3.789 -7.594 1.371 1.00 0.00 H new ATOM 0 HA SER A 69 4.616 -7.319 -1.392 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.532 -5.945 0.363 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.478 -6.158 -1.376 1.00 0.00 H new ATOM 0 HG SER A 69 1.232 -7.809 -0.804 1.00 0.00 H new ATOM 766 N TYR A 70 5.418 -4.888 -1.519 1.00 0.00 N ATOM 767 CA TYR A 70 5.914 -3.514 -1.592 1.00 0.00 C ATOM 768 C TYR A 70 5.268 -2.768 -2.759 1.00 0.00 C ATOM 769 O TYR A 70 4.664 -3.383 -3.641 1.00 0.00 O ATOM 770 CB TYR A 70 7.455 -3.438 -1.630 1.00 0.00 C ATOM 771 CG TYR A 70 8.168 -3.906 -2.896 1.00 0.00 C ATOM 772 CD1 TYR A 70 8.408 -5.276 -3.116 1.00 0.00 C ATOM 773 CD2 TYR A 70 8.692 -2.963 -3.807 1.00 0.00 C ATOM 774 CE1 TYR A 70 9.184 -5.698 -4.215 1.00 0.00 C ATOM 775 CE2 TYR A 70 9.481 -3.383 -4.898 1.00 0.00 C ATOM 776 CZ TYR A 70 9.755 -4.754 -5.096 1.00 0.00 C ATOM 777 OH TYR A 70 10.559 -5.151 -6.127 1.00 0.00 O ATOM 0 H TYR A 70 5.353 -5.339 -2.432 1.00 0.00 H new ATOM 0 HA TYR A 70 5.619 -3.012 -0.671 1.00 0.00 H new ATOM 0 HB2 TYR A 70 7.742 -2.402 -1.450 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.838 -4.025 -0.795 1.00 0.00 H new ATOM 0 HD1 TYR A 70 7.995 -6.008 -2.438 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.487 -1.912 -3.667 1.00 0.00 H new ATOM 0 HE1 TYR A 70 9.343 -6.753 -4.384 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.878 -2.652 -5.586 1.00 0.00 H new ATOM 0 HH TYR A 70 11.463 -5.322 -5.790 1.00 0.00 H new ATOM 787 N LEU A 71 5.375 -1.439 -2.725 1.00 0.00 N ATOM 788 CA LEU A 71 4.857 -0.483 -3.697 1.00 0.00 C ATOM 789 C LEU A 71 5.902 0.618 -3.829 1.00 0.00 C ATOM 790 O LEU A 71 6.390 1.113 -2.805 1.00 0.00 O ATOM 791 CB LEU A 71 3.537 0.131 -3.190 1.00 0.00 C ATOM 792 CG LEU A 71 2.310 -0.782 -3.364 1.00 0.00 C ATOM 793 CD1 LEU A 71 1.156 -0.300 -2.471 1.00 0.00 C ATOM 794 CD2 LEU A 71 1.859 -0.852 -4.823 1.00 0.00 C ATOM 0 H LEU A 71 5.862 -0.971 -1.960 1.00 0.00 H new ATOM 0 HA LEU A 71 4.663 -0.972 -4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.646 0.378 -2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.358 1.067 -3.719 1.00 0.00 H new ATOM 0 HG LEU A 71 2.601 -1.788 -3.060 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.295 -0.955 -2.604 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.470 -0.321 -1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.883 0.719 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.991 -1.506 -4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.595 0.147 -5.170 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.669 -1.247 -5.436 1.00 0.00 H new ATOM 806 N VAL A 72 6.242 1.000 -5.060 1.00 0.00 N ATOM 807 CA VAL A 72 7.297 1.965 -5.362 1.00 0.00 C ATOM 808 C VAL A 72 7.054 2.536 -6.770 1.00 0.00 C ATOM 809 O VAL A 72 6.336 1.917 -7.558 1.00 0.00 O ATOM 810 CB VAL A 72 8.647 1.239 -5.204 1.00 0.00 C ATOM 811 CG1 VAL A 72 8.898 0.169 -6.265 1.00 0.00 C ATOM 812 CG2 VAL A 72 9.835 2.204 -5.174 1.00 0.00 C ATOM 0 H VAL A 72 5.780 0.638 -5.894 1.00 0.00 H new ATOM 0 HA VAL A 72 7.301 2.817 -4.683 1.00 0.00 H new ATOM 0 HB VAL A 72 8.567 0.741 -4.238 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.867 -0.298 -6.089 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.115 -0.588 -6.211 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.891 0.628 -7.254 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.760 1.639 -5.061 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.867 2.771 -6.105 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.725 2.891 -4.335 1.00 0.00 H new ATOM 822 N ALA A 73 7.619 3.703 -7.106 1.00 0.00 N ATOM 823 CA ALA A 73 7.454 4.255 -8.446 1.00 0.00 C ATOM 824 C ALA A 73 8.524 3.700 -9.369 1.00 0.00 C ATOM 825 O ALA A 73 9.681 3.567 -8.973 1.00 0.00 O ATOM 826 CB ALA A 73 7.554 5.781 -8.431 1.00 0.00 C ATOM 0 H ALA A 73 8.185 4.271 -6.476 1.00 0.00 H new ATOM 0 HA ALA A 73 6.465 3.971 -8.805 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.427 6.164 -9.444 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.775 6.190 -7.788 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.531 6.078 -8.051 1.00 0.00 H new ATOM 832 N ALA A 74 8.151 3.530 -10.633 1.00 0.00 N ATOM 833 CA ALA A 74 8.991 3.092 -11.734 1.00 0.00 C ATOM 834 C ALA A 74 10.152 4.039 -12.047 1.00 0.00 C ATOM 835 O ALA A 74 11.019 3.686 -12.843 1.00 0.00 O ATOM 836 CB ALA A 74 8.100 2.981 -12.971 1.00 0.00 C ATOM 0 H ALA A 74 7.192 3.707 -10.931 1.00 0.00 H new ATOM 0 HA ALA A 74 9.442 2.142 -11.447 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.698 2.653 -13.822 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.307 2.257 -12.784 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.659 3.953 -13.190 1.00 0.00 H new ATOM 842 N ASP A 75 10.158 5.235 -11.461 1.00 0.00 N ATOM 843 CA ASP A 75 11.045 6.347 -11.801 1.00 0.00 C ATOM 844 C ASP A 75 11.623 7.056 -10.580 1.00 0.00 C ATOM 845 O ASP A 75 12.529 7.876 -10.715 1.00 0.00 O ATOM 846 CB ASP A 75 10.280 7.364 -12.661 1.00 0.00 C ATOM 847 CG ASP A 75 9.383 8.263 -11.803 1.00 0.00 C ATOM 848 OD1 ASP A 75 8.452 7.718 -11.170 1.00 0.00 O ATOM 849 OD2 ASP A 75 9.632 9.492 -11.768 1.00 0.00 O ATOM 0 H ASP A 75 9.516 5.466 -10.703 1.00 0.00 H new ATOM 0 HA ASP A 75 11.886 5.922 -12.349 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.989 7.979 -13.216 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.672 6.836 -13.396 1.00 0.00 H new ATOM 854 N ASP A 76 11.157 6.690 -9.391 1.00 0.00 N ATOM 855 CA ASP A 76 11.586 7.223 -8.102 1.00 0.00 C ATOM 856 C ASP A 76 11.898 6.037 -7.196 1.00 0.00 C ATOM 857 O ASP A 76 11.576 6.047 -6.008 1.00 0.00 O ATOM 858 CB ASP A 76 10.487 8.126 -7.531 1.00 0.00 C ATOM 859 CG ASP A 76 10.859 8.810 -6.216 1.00 0.00 C ATOM 860 OD1 ASP A 76 11.925 9.468 -6.153 1.00 0.00 O ATOM 861 OD2 ASP A 76 10.025 8.781 -5.269 1.00 0.00 O ATOM 0 H ASP A 76 10.433 5.978 -9.295 1.00 0.00 H new ATOM 0 HA ASP A 76 12.481 7.838 -8.195 1.00 0.00 H new ATOM 0 HB2 ASP A 76 10.241 8.890 -8.268 1.00 0.00 H new ATOM 0 HB3 ASP A 76 9.587 7.531 -7.376 1.00 0.00 H new ATOM 866 N GLN A 77 12.483 4.984 -7.786 1.00 0.00 N ATOM 867 CA GLN A 77 12.737 3.714 -7.099 1.00 0.00 C ATOM 868 C GLN A 77 13.422 3.934 -5.744 1.00 0.00 C ATOM 869 O GLN A 77 13.115 3.260 -4.763 1.00 0.00 O ATOM 870 CB GLN A 77 13.595 2.776 -7.963 1.00 0.00 C ATOM 871 CG GLN A 77 12.951 2.342 -9.289 1.00 0.00 C ATOM 872 CD GLN A 77 13.747 2.839 -10.490 1.00 0.00 C ATOM 873 OE1 GLN A 77 14.684 2.185 -10.943 1.00 0.00 O ATOM 874 NE2 GLN A 77 13.405 3.987 -11.042 1.00 0.00 N ATOM 0 H GLN A 77 12.794 4.992 -8.758 1.00 0.00 H new ATOM 0 HA GLN A 77 11.767 3.248 -6.927 1.00 0.00 H new ATOM 0 HB2 GLN A 77 14.541 3.272 -8.181 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.829 1.884 -7.382 1.00 0.00 H new ATOM 0 HG2 GLN A 77 12.883 1.255 -9.322 1.00 0.00 H new ATOM 0 HG3 GLN A 77 11.933 2.727 -9.342 1.00 0.00 H new ATOM 0 HE21 GLN A 77 12.626 4.524 -10.661 1.00 0.00 H new ATOM 0 HE22 GLN A 77 13.919 4.337 -11.850 1.00 0.00 H new ATOM 883 N ASP A 78 14.356 4.885 -5.690 1.00 0.00 N ATOM 884 CA ASP A 78 15.198 5.155 -4.528 1.00 0.00 C ATOM 885 C ASP A 78 14.578 6.180 -3.580 1.00 0.00 C ATOM 886 O ASP A 78 15.128 6.410 -2.500 1.00 0.00 O ATOM 887 CB ASP A 78 16.575 5.644 -4.995 1.00 0.00 C ATOM 888 CG ASP A 78 17.236 4.618 -5.899 1.00 0.00 C ATOM 889 OD1 ASP A 78 17.426 3.471 -5.443 1.00 0.00 O ATOM 890 OD2 ASP A 78 17.483 4.939 -7.083 1.00 0.00 O ATOM 0 H ASP A 78 14.551 5.505 -6.476 1.00 0.00 H new ATOM 0 HA ASP A 78 15.296 4.222 -3.972 1.00 0.00 H new ATOM 0 HB2 ASP A 78 16.468 6.589 -5.528 1.00 0.00 H new ATOM 0 HB3 ASP A 78 17.210 5.835 -4.130 1.00 0.00 H new ATOM 895 N GLY A 79 13.463 6.803 -3.966 1.00 0.00 N ATOM 896 CA GLY A 79 12.901 7.963 -3.303 1.00 0.00 C ATOM 897 C GLY A 79 11.990 7.574 -2.164 1.00 0.00 C ATOM 898 O GLY A 79 12.294 7.877 -1.007 1.00 0.00 O ATOM 0 H GLY A 79 12.917 6.500 -4.772 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.707 8.591 -2.925 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.344 8.560 -4.025 1.00 0.00 H new ATOM 902 N THR A 80 10.871 6.931 -2.488 1.00 0.00 N ATOM 903 CA THR A 80 9.808 6.637 -1.537 1.00 0.00 C ATOM 904 C THR A 80 9.390 5.187 -1.727 1.00 0.00 C ATOM 905 O THR A 80 9.064 4.798 -2.850 1.00 0.00 O ATOM 906 CB THR A 80 8.589 7.553 -1.767 1.00 0.00 C ATOM 907 OG1 THR A 80 8.914 8.784 -2.410 1.00 0.00 O ATOM 908 CG2 THR A 80 7.917 7.849 -0.417 1.00 0.00 C ATOM 0 H THR A 80 10.677 6.596 -3.432 1.00 0.00 H new ATOM 0 HA THR A 80 10.174 6.809 -0.525 1.00 0.00 H new ATOM 0 HB THR A 80 7.915 7.018 -2.436 1.00 0.00 H new ATOM 0 HG1 THR A 80 9.179 8.609 -3.337 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.054 8.496 -0.574 1.00 0.00 H new ATOM 0 HG22 THR A 80 7.591 6.915 0.040 1.00 0.00 H new ATOM 0 HG23 THR A 80 8.628 8.346 0.242 1.00 0.00 H new ATOM 916 N ILE A 81 9.355 4.390 -0.657 1.00 0.00 N ATOM 917 CA ILE A 81 8.902 3.012 -0.753 1.00 0.00 C ATOM 918 C ILE A 81 8.007 2.706 0.443 1.00 0.00 C ATOM 919 O ILE A 81 8.216 3.241 1.543 1.00 0.00 O ATOM 920 CB ILE A 81 10.137 2.076 -0.855 1.00 0.00 C ATOM 921 CG1 ILE A 81 9.758 0.768 -1.567 1.00 0.00 C ATOM 922 CG2 ILE A 81 10.826 1.835 0.499 1.00 0.00 C ATOM 923 CD1 ILE A 81 10.821 -0.329 -1.601 1.00 0.00 C ATOM 0 H ILE A 81 9.635 4.679 0.280 1.00 0.00 H new ATOM 0 HA ILE A 81 8.307 2.847 -1.651 1.00 0.00 H new ATOM 0 HB ILE A 81 10.885 2.586 -1.462 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.868 0.364 -1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.483 1.007 -2.594 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.681 1.173 0.360 1.00 0.00 H new ATOM 0 HG22 ILE A 81 11.166 2.786 0.908 1.00 0.00 H new ATOM 0 HG23 ILE A 81 10.120 1.375 1.190 1.00 0.00 H new ATOM 0 HD11 ILE A 81 10.430 -1.198 -2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 81 11.709 0.040 -2.115 1.00 0.00 H new ATOM 0 HD13 ILE A 81 11.083 -0.613 -0.582 1.00 0.00 H new ATOM 935 N ILE A 82 7.039 1.812 0.250 1.00 0.00 N ATOM 936 CA ILE A 82 6.198 1.299 1.316 1.00 0.00 C ATOM 937 C ILE A 82 6.143 -0.213 1.139 1.00 0.00 C ATOM 938 O ILE A 82 6.019 -0.720 0.024 1.00 0.00 O ATOM 939 CB ILE A 82 4.799 1.961 1.311 1.00 0.00 C ATOM 940 CG1 ILE A 82 4.880 3.507 1.306 1.00 0.00 C ATOM 941 CG2 ILE A 82 4.005 1.437 2.526 1.00 0.00 C ATOM 942 CD1 ILE A 82 3.558 4.207 0.974 1.00 0.00 C ATOM 0 H ILE A 82 6.818 1.422 -0.666 1.00 0.00 H new ATOM 0 HA ILE A 82 6.611 1.541 2.295 1.00 0.00 H new ATOM 0 HB ILE A 82 4.282 1.690 0.390 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.220 3.844 2.285 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.634 3.817 0.582 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.015 1.894 2.538 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.904 0.354 2.455 1.00 0.00 H new ATOM 0 HG23 ILE A 82 4.534 1.693 3.444 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.704 5.287 0.992 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.224 3.902 -0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.804 3.930 1.711 1.00 0.00 H new ATOM 954 N PHE A 83 6.235 -0.930 2.252 1.00 0.00 N ATOM 955 CA PHE A 83 6.058 -2.365 2.366 1.00 0.00 C ATOM 956 C PHE A 83 4.760 -2.591 3.147 1.00 0.00 C ATOM 957 O PHE A 83 4.394 -1.762 3.988 1.00 0.00 O ATOM 958 CB PHE A 83 7.267 -2.966 3.105 1.00 0.00 C ATOM 959 CG PHE A 83 8.615 -2.839 2.409 1.00 0.00 C ATOM 960 CD1 PHE A 83 9.347 -1.634 2.464 1.00 0.00 C ATOM 961 CD2 PHE A 83 9.176 -3.949 1.753 1.00 0.00 C ATOM 962 CE1 PHE A 83 10.649 -1.565 1.943 1.00 0.00 C ATOM 963 CE2 PHE A 83 10.464 -3.866 1.195 1.00 0.00 C ATOM 964 CZ PHE A 83 11.208 -2.684 1.306 1.00 0.00 C ATOM 0 H PHE A 83 6.448 -0.496 3.150 1.00 0.00 H new ATOM 0 HA PHE A 83 5.994 -2.848 1.391 1.00 0.00 H new ATOM 0 HB2 PHE A 83 7.341 -2.491 4.083 1.00 0.00 H new ATOM 0 HB3 PHE A 83 7.070 -4.024 3.279 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.902 -0.757 2.911 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.615 -4.869 1.677 1.00 0.00 H new ATOM 0 HE1 PHE A 83 11.220 -0.652 2.032 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.882 -4.717 0.678 1.00 0.00 H new ATOM 0 HZ PHE A 83 12.209 -2.634 0.903 1.00 0.00 H new ATOM 974 N PHE A 84 4.069 -3.708 2.935 1.00 0.00 N ATOM 975 CA PHE A 84 2.921 -4.104 3.742 1.00 0.00 C ATOM 976 C PHE A 84 2.781 -5.621 3.687 1.00 0.00 C ATOM 977 O PHE A 84 3.340 -6.252 2.796 1.00 0.00 O ATOM 978 CB PHE A 84 1.637 -3.405 3.254 1.00 0.00 C ATOM 979 CG PHE A 84 1.139 -3.822 1.880 1.00 0.00 C ATOM 980 CD1 PHE A 84 1.626 -3.177 0.727 1.00 0.00 C ATOM 981 CD2 PHE A 84 0.181 -4.850 1.751 1.00 0.00 C ATOM 982 CE1 PHE A 84 1.168 -3.565 -0.545 1.00 0.00 C ATOM 983 CE2 PHE A 84 -0.280 -5.234 0.479 1.00 0.00 C ATOM 984 CZ PHE A 84 0.215 -4.591 -0.667 1.00 0.00 C ATOM 0 H PHE A 84 4.293 -4.369 2.191 1.00 0.00 H new ATOM 0 HA PHE A 84 3.078 -3.796 4.776 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.845 -3.593 3.979 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.812 -2.329 3.245 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.352 -2.383 0.819 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.200 -5.344 2.633 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.549 -3.074 -1.429 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.013 -6.021 0.384 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.137 -4.885 -1.645 1.00 0.00 H new ATOM 994 N LYS A 85 2.023 -6.231 4.599 1.00 0.00 N ATOM 995 CA LYS A 85 1.731 -7.661 4.522 1.00 0.00 C ATOM 996 C LYS A 85 0.346 -7.899 5.073 1.00 0.00 C ATOM 997 O LYS A 85 0.114 -7.677 6.264 1.00 0.00 O ATOM 998 CB LYS A 85 2.841 -8.450 5.207 1.00 0.00 C ATOM 999 CG LYS A 85 2.897 -9.940 4.833 1.00 0.00 C ATOM 1000 CD LYS A 85 2.222 -10.817 5.886 1.00 0.00 C ATOM 1001 CE LYS A 85 3.218 -11.597 6.737 1.00 0.00 C ATOM 1002 NZ LYS A 85 3.647 -12.871 6.127 1.00 0.00 N ATOM 0 H LYS A 85 1.601 -5.757 5.398 1.00 0.00 H new ATOM 0 HA LYS A 85 1.719 -8.021 3.493 1.00 0.00 H new ATOM 0 HB2 LYS A 85 3.799 -7.992 4.961 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.715 -8.365 6.286 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.411 -10.091 3.869 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.937 -10.247 4.717 1.00 0.00 H new ATOM 0 HD2 LYS A 85 1.610 -10.191 6.535 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.549 -11.517 5.391 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.096 -10.976 6.915 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.770 -11.802 7.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 3.923 -13.539 6.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.862 -13.274 5.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.459 -12.700 5.500 1.00 0.00 H new ATOM 1016 N ALA A 86 -0.583 -8.244 4.184 1.00 0.00 N ATOM 1017 CA ALA A 86 -1.963 -8.534 4.513 1.00 0.00 C ATOM 1018 C ALA A 86 -2.038 -9.933 5.120 1.00 0.00 C ATOM 1019 O ALA A 86 -2.318 -10.924 4.438 1.00 0.00 O ATOM 1020 CB ALA A 86 -2.847 -8.362 3.280 1.00 0.00 C ATOM 0 H ALA A 86 -0.383 -8.330 3.188 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.342 -7.831 5.255 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.882 -8.583 3.541 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.775 -7.335 2.921 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.516 -9.045 2.497 1.00 0.00 H new ATOM 1026 N GLU A 87 -1.743 -9.983 6.412 1.00 0.00 N ATOM 1027 CA GLU A 87 -1.869 -11.123 7.296 1.00 0.00 C ATOM 1028 C GLU A 87 -3.359 -11.356 7.619 1.00 0.00 C ATOM 1029 O GLU A 87 -4.251 -10.637 7.152 1.00 0.00 O ATOM 1030 CB GLU A 87 -0.997 -10.805 8.529 1.00 0.00 C ATOM 1031 CG GLU A 87 -0.689 -11.994 9.450 1.00 0.00 C ATOM 1032 CD GLU A 87 0.654 -11.802 10.170 1.00 0.00 C ATOM 1033 OE1 GLU A 87 0.675 -11.219 11.277 1.00 0.00 O ATOM 1034 OE2 GLU A 87 1.712 -12.185 9.611 1.00 0.00 O ATOM 0 H GLU A 87 -1.383 -9.164 6.901 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.521 -12.057 6.855 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.053 -10.382 8.185 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.497 -10.034 9.116 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.486 -12.105 10.185 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.664 -12.914 8.866 1.00 0.00 H new ATOM 1041 N GLY A 88 -3.662 -12.377 8.417 1.00 0.00 N ATOM 1042 CA GLY A 88 -5.008 -12.677 8.872 1.00 0.00 C ATOM 1043 C GLY A 88 -5.682 -11.464 9.518 1.00 0.00 C ATOM 1044 O GLY A 88 -5.192 -10.970 10.538 1.00 0.00 O ATOM 0 H GLY A 88 -2.961 -13.029 8.770 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -5.608 -13.018 8.028 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -4.973 -13.497 9.590 1.00 0.00 H new ATOM 1048 N GLN A 89 -6.788 -10.986 8.928 1.00 0.00 N ATOM 1049 CA GLN A 89 -7.607 -9.841 9.352 1.00 0.00 C ATOM 1050 C GLN A 89 -6.817 -8.537 9.547 1.00 0.00 C ATOM 1051 O GLN A 89 -7.396 -7.585 10.076 1.00 0.00 O ATOM 1052 CB GLN A 89 -8.428 -10.199 10.616 1.00 0.00 C ATOM 1053 CG GLN A 89 -9.492 -11.298 10.431 1.00 0.00 C ATOM 1054 CD GLN A 89 -10.809 -10.891 9.755 1.00 0.00 C ATOM 1055 OE1 GLN A 89 -11.717 -11.712 9.649 1.00 0.00 O ATOM 1056 NE2 GLN A 89 -11.018 -9.660 9.306 1.00 0.00 N ATOM 0 H GLN A 89 -7.159 -11.420 8.083 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.289 -9.637 8.527 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.738 -10.515 11.398 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -8.923 -9.296 10.973 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.047 -12.104 9.847 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.729 -11.708 11.413 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.282 -8.958 9.381 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.915 -9.416 8.886 1.00 0.00 H new ATOM 1065 N THR A 90 -5.557 -8.444 9.121 1.00 0.00 N ATOM 1066 CA THR A 90 -4.643 -7.375 9.507 1.00 0.00 C ATOM 1067 C THR A 90 -3.752 -7.021 8.314 1.00 0.00 C ATOM 1068 O THR A 90 -3.557 -7.833 7.413 1.00 0.00 O ATOM 1069 CB THR A 90 -3.810 -7.836 10.728 1.00 0.00 C ATOM 1070 OG1 THR A 90 -4.604 -8.554 11.662 1.00 0.00 O ATOM 1071 CG2 THR A 90 -3.173 -6.676 11.500 1.00 0.00 C ATOM 0 H THR A 90 -5.138 -9.124 8.486 1.00 0.00 H new ATOM 0 HA THR A 90 -5.195 -6.480 9.793 1.00 0.00 H new ATOM 0 HB THR A 90 -3.029 -8.466 10.301 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.716 -9.478 11.354 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.604 -7.069 12.343 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.507 -6.121 10.839 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.955 -6.011 11.868 1.00 0.00 H new ATOM 1079 N VAL A 91 -3.167 -5.829 8.323 1.00 0.00 N ATOM 1080 CA VAL A 91 -2.105 -5.418 7.426 1.00 0.00 C ATOM 1081 C VAL A 91 -1.073 -4.754 8.323 1.00 0.00 C ATOM 1082 O VAL A 91 -1.388 -3.766 8.990 1.00 0.00 O ATOM 1083 CB VAL A 91 -2.615 -4.465 6.330 1.00 0.00 C ATOM 1084 CG1 VAL A 91 -1.500 -4.194 5.311 1.00 0.00 C ATOM 1085 CG2 VAL A 91 -3.811 -5.044 5.569 1.00 0.00 C ATOM 0 H VAL A 91 -3.433 -5.098 8.982 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.684 -6.263 6.882 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.924 -3.548 6.832 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.869 -3.519 4.539 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.649 -3.737 5.816 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.189 -5.133 4.853 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.135 -4.335 4.807 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.521 -5.981 5.094 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.630 -5.228 6.264 1.00 0.00 H new ATOM 1095 N ILE A 92 0.128 -5.319 8.403 1.00 0.00 N ATOM 1096 CA ILE A 92 1.263 -4.663 9.017 1.00 0.00 C ATOM 1097 C ILE A 92 1.841 -3.788 7.910 1.00 0.00 C ATOM 1098 O ILE A 92 2.469 -4.299 6.983 1.00 0.00 O ATOM 1099 CB ILE A 92 2.279 -5.687 9.553 1.00 0.00 C ATOM 1100 CG1 ILE A 92 1.701 -6.736 10.531 1.00 0.00 C ATOM 1101 CG2 ILE A 92 3.404 -4.937 10.292 1.00 0.00 C ATOM 1102 CD1 ILE A 92 0.784 -7.799 9.916 1.00 0.00 C ATOM 0 H ILE A 92 0.336 -6.249 8.040 1.00 0.00 H new ATOM 0 HA ILE A 92 0.985 -4.071 9.889 1.00 0.00 H new ATOM 0 HB ILE A 92 2.628 -6.231 8.676 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.532 -7.242 11.021 1.00 0.00 H new ATOM 0 HG13 ILE A 92 1.145 -6.211 11.308 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.129 -5.655 10.676 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.900 -4.254 9.602 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.980 -4.371 11.122 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.440 -8.478 10.696 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.075 -7.314 9.452 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.334 -8.362 9.162 1.00 0.00 H new ATOM 1114 N ILE A 93 1.577 -2.486 7.955 1.00 0.00 N ATOM 1115 CA ILE A 93 2.145 -1.527 7.025 1.00 0.00 C ATOM 1116 C ILE A 93 3.520 -1.146 7.580 1.00 0.00 C ATOM 1117 O ILE A 93 3.672 -0.877 8.778 1.00 0.00 O ATOM 1118 CB ILE A 93 1.219 -0.303 6.839 1.00 0.00 C ATOM 1119 CG1 ILE A 93 -0.259 -0.706 6.593 1.00 0.00 C ATOM 1120 CG2 ILE A 93 1.779 0.514 5.663 1.00 0.00 C ATOM 1121 CD1 ILE A 93 -1.202 0.461 6.302 1.00 0.00 C ATOM 0 H ILE A 93 0.956 -2.067 8.647 1.00 0.00 H new ATOM 0 HA ILE A 93 2.249 -1.956 6.028 1.00 0.00 H new ATOM 0 HB ILE A 93 1.207 0.289 7.754 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.296 -1.402 5.755 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.626 -1.241 7.469 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.152 1.390 5.498 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.796 0.833 5.893 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.787 -0.101 4.763 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.212 0.082 6.144 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.201 1.149 7.147 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.867 0.985 5.407 1.00 0.00 H new ATOM 1133 N LYS A 94 4.530 -1.121 6.711 1.00 0.00 N ATOM 1134 CA LYS A 94 5.926 -0.883 7.038 1.00 0.00 C ATOM 1135 C LYS A 94 6.495 0.124 6.033 1.00 0.00 C ATOM 1136 O LYS A 94 6.852 -0.236 4.918 1.00 0.00 O ATOM 1137 CB LYS A 94 6.683 -2.231 7.048 1.00 0.00 C ATOM 1138 CG LYS A 94 6.481 -3.045 8.341 1.00 0.00 C ATOM 1139 CD LYS A 94 7.554 -4.132 8.519 1.00 0.00 C ATOM 1140 CE LYS A 94 7.531 -4.743 9.929 1.00 0.00 C ATOM 1141 NZ LYS A 94 8.649 -5.694 10.128 1.00 0.00 N ATOM 0 H LYS A 94 4.385 -1.274 5.713 1.00 0.00 H new ATOM 0 HA LYS A 94 6.039 -0.452 8.033 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.354 -2.829 6.198 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.748 -2.041 6.911 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.503 -2.372 9.198 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.495 -3.510 8.325 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.398 -4.919 7.781 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.538 -3.704 8.326 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.592 -3.948 10.672 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.583 -5.256 10.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.400 -6.370 10.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.828 -6.209 9.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.505 -5.171 10.404 1.00 0.00 H new ATOM 1155 N TYR A 95 6.564 1.406 6.386 1.00 0.00 N ATOM 1156 CA TYR A 95 6.937 2.497 5.476 1.00 0.00 C ATOM 1157 C TYR A 95 8.147 3.258 6.018 1.00 0.00 C ATOM 1158 O TYR A 95 8.537 3.059 7.173 1.00 0.00 O ATOM 1159 CB TYR A 95 5.738 3.431 5.282 1.00 0.00 C ATOM 1160 CG TYR A 95 5.217 4.011 6.577 1.00 0.00 C ATOM 1161 CD1 TYR A 95 4.322 3.262 7.361 1.00 0.00 C ATOM 1162 CD2 TYR A 95 5.649 5.274 7.012 1.00 0.00 C ATOM 1163 CE1 TYR A 95 3.876 3.759 8.595 1.00 0.00 C ATOM 1164 CE2 TYR A 95 5.203 5.778 8.243 1.00 0.00 C ATOM 1165 CZ TYR A 95 4.315 5.024 9.045 1.00 0.00 C ATOM 1166 OH TYR A 95 3.933 5.511 10.259 1.00 0.00 O ATOM 0 H TYR A 95 6.358 1.726 7.332 1.00 0.00 H new ATOM 0 HA TYR A 95 7.217 2.081 4.508 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.024 4.245 4.616 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.935 2.883 4.788 1.00 0.00 H new ATOM 0 HD1 TYR A 95 3.976 2.300 7.012 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.323 5.856 6.401 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.198 3.175 9.200 1.00 0.00 H new ATOM 0 HE2 TYR A 95 5.540 6.747 8.580 1.00 0.00 H new ATOM 0 HH TYR A 95 4.334 6.394 10.398 1.00 0.00 H new ATOM 1176 N THR A 96 8.748 4.121 5.198 1.00 0.00 N ATOM 1177 CA THR A 96 9.989 4.823 5.503 1.00 0.00 C ATOM 1178 C THR A 96 10.022 6.141 4.724 1.00 0.00 C ATOM 1179 O THR A 96 9.216 6.345 3.815 1.00 0.00 O ATOM 1180 CB THR A 96 11.179 3.899 5.180 1.00 0.00 C ATOM 1181 OG1 THR A 96 12.376 4.568 5.493 1.00 0.00 O ATOM 1182 CG2 THR A 96 11.214 3.423 3.723 1.00 0.00 C ATOM 0 H THR A 96 8.372 4.355 4.279 1.00 0.00 H new ATOM 0 HA THR A 96 10.054 5.075 6.562 1.00 0.00 H new ATOM 0 HB THR A 96 11.060 3.002 5.788 1.00 0.00 H new ATOM 0 HG1 THR A 96 13.056 4.352 4.821 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.079 2.777 3.572 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.303 2.868 3.500 1.00 0.00 H new ATOM 0 HG23 THR A 96 11.285 4.285 3.060 1.00 0.00 H new ATOM 1190 N SER A 97 10.952 7.032 5.075 1.00 0.00 N ATOM 1191 CA SER A 97 11.297 8.194 4.268 1.00 0.00 C ATOM 1192 C SER A 97 12.398 7.891 3.249 1.00 0.00 C ATOM 1193 O SER A 97 12.597 8.673 2.325 1.00 0.00 O ATOM 1194 CB SER A 97 11.659 9.383 5.180 1.00 0.00 C ATOM 1195 OG SER A 97 12.381 8.993 6.348 1.00 0.00 O ATOM 0 H SER A 97 11.490 6.962 5.939 1.00 0.00 H new ATOM 0 HA SER A 97 10.420 8.469 3.681 1.00 0.00 H new ATOM 0 HB2 SER A 97 12.255 10.099 4.614 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.745 9.895 5.479 1.00 0.00 H new ATOM 0 HG SER A 97 12.585 9.786 6.887 1.00 0.00 H new ATOM 1201 N GLN A 98 13.116 6.778 3.398 1.00 0.00 N ATOM 1202 CA GLN A 98 14.319 6.478 2.613 1.00 0.00 C ATOM 1203 C GLN A 98 14.494 4.962 2.447 1.00 0.00 C ATOM 1204 O GLN A 98 14.225 4.202 3.380 1.00 0.00 O ATOM 1205 CB GLN A 98 15.557 7.067 3.325 1.00 0.00 C ATOM 1206 CG GLN A 98 15.561 8.603 3.463 1.00 0.00 C ATOM 1207 CD GLN A 98 16.773 9.092 4.249 1.00 0.00 C ATOM 1208 OE1 GLN A 98 16.999 8.667 5.383 1.00 0.00 O ATOM 1209 NE2 GLN A 98 17.544 10.021 3.718 1.00 0.00 N ATOM 0 H GLN A 98 12.879 6.051 4.073 1.00 0.00 H new ATOM 0 HA GLN A 98 14.213 6.925 1.625 1.00 0.00 H new ATOM 0 HB2 GLN A 98 15.628 6.628 4.320 1.00 0.00 H new ATOM 0 HB3 GLN A 98 16.450 6.764 2.778 1.00 0.00 H new ATOM 0 HG2 GLN A 98 15.561 9.058 2.473 1.00 0.00 H new ATOM 0 HG3 GLN A 98 14.648 8.927 3.962 1.00 0.00 H new ATOM 0 HE21 GLN A 98 17.351 10.368 2.779 1.00 0.00 H new ATOM 0 HE22 GLN A 98 18.333 10.392 4.247 1.00 0.00 H new ATOM 1218 N ARG A 99 15.045 4.510 1.310 1.00 0.00 N ATOM 1219 CA ARG A 99 15.356 3.098 0.985 1.00 0.00 C ATOM 1220 C ARG A 99 16.458 2.494 1.867 1.00 0.00 C ATOM 1221 O ARG A 99 16.992 1.433 1.548 1.00 0.00 O ATOM 1222 CB ARG A 99 15.710 2.957 -0.526 1.00 0.00 C ATOM 1223 CG ARG A 99 14.470 2.825 -1.430 1.00 0.00 C ATOM 1224 CD ARG A 99 14.429 1.571 -2.347 1.00 0.00 C ATOM 1225 NE ARG A 99 15.342 1.600 -3.517 1.00 0.00 N ATOM 1226 CZ ARG A 99 15.151 0.939 -4.682 1.00 0.00 C ATOM 1227 NH1 ARG A 99 14.214 0.000 -4.813 1.00 0.00 N ATOM 1228 NH2 ARG A 99 15.910 1.218 -5.739 1.00 0.00 N ATOM 0 H ARG A 99 15.300 5.144 0.553 1.00 0.00 H new ATOM 0 HA ARG A 99 14.455 2.523 1.200 1.00 0.00 H new ATOM 0 HB2 ARG A 99 16.289 3.826 -0.839 1.00 0.00 H new ATOM 0 HB3 ARG A 99 16.346 2.083 -0.663 1.00 0.00 H new ATOM 0 HG2 ARG A 99 13.582 2.818 -0.798 1.00 0.00 H new ATOM 0 HG3 ARG A 99 14.406 3.713 -2.059 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.668 0.695 -1.744 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.409 1.441 -2.708 1.00 0.00 H new ATOM 0 HE ARG A 99 16.186 2.167 -3.436 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.616 -0.238 -4.021 1.00 0.00 H new ATOM 0 HH12 ARG A 99 14.095 -0.481 -5.705 1.00 0.00 H new ATOM 0 HH21 ARG A 99 16.637 1.931 -5.671 1.00 0.00 H new ATOM 0 HH22 ARG A 99 15.765 0.719 -6.617 1.00 0.00 H new ATOM 1242 N ASN A 100 16.866 3.158 2.948 1.00 0.00 N ATOM 1243 CA ASN A 100 17.943 2.702 3.829 1.00 0.00 C ATOM 1244 C ASN A 100 17.711 2.816 5.328 1.00 0.00 C ATOM 1245 O ASN A 100 18.645 2.629 6.104 1.00 0.00 O ATOM 1246 CB ASN A 100 19.286 3.296 3.407 1.00 0.00 C ATOM 1247 CG ASN A 100 19.635 4.664 3.973 1.00 0.00 C ATOM 1248 OD1 ASN A 100 18.665 5.468 4.366 1.00 0.00 O flip ATOM 1249 ND2 ASN A 100 20.800 5.042 3.975 1.00 0.00 N flip ATOM 0 H ASN A 100 16.451 4.042 3.242 1.00 0.00 H new ATOM 0 HA ASN A 100 17.956 1.622 3.679 1.00 0.00 H new ATOM 0 HB2 ASN A 100 20.072 2.598 3.694 1.00 0.00 H new ATOM 0 HB3 ASN A 100 19.302 3.364 2.319 1.00 0.00 H new ATOM 0 HD21 ASN A 100 21.541 4.412 3.669 1.00 0.00 H new ATOM 0 HD22 ASN A 100 21.029 5.987 4.283 1.00 0.00 H new ATOM 1256 N THR A 101 16.489 3.122 5.744 1.00 0.00 N ATOM 1257 CA THR A 101 16.152 3.242 7.160 1.00 0.00 C ATOM 1258 C THR A 101 15.125 2.176 7.560 1.00 0.00 C ATOM 1259 O THR A 101 14.449 1.586 6.707 1.00 0.00 O ATOM 1260 CB THR A 101 15.724 4.687 7.462 1.00 0.00 C ATOM 1261 OG1 THR A 101 15.047 5.276 6.370 1.00 0.00 O ATOM 1262 CG2 THR A 101 16.930 5.578 7.779 1.00 0.00 C ATOM 0 H THR A 101 15.705 3.294 5.114 1.00 0.00 H new ATOM 0 HA THR A 101 17.024 3.044 7.783 1.00 0.00 H new ATOM 0 HB THR A 101 15.061 4.621 8.324 1.00 0.00 H new ATOM 0 HG1 THR A 101 14.144 4.901 6.304 1.00 0.00 H new ATOM 0 HG21 THR A 101 16.589 6.592 7.987 1.00 0.00 H new ATOM 0 HG22 THR A 101 17.453 5.185 8.651 1.00 0.00 H new ATOM 0 HG23 THR A 101 17.607 5.591 6.925 1.00 0.00 H new ATOM 1270 N LYS A 102 15.044 1.868 8.862 1.00 0.00 N ATOM 1271 CA LYS A 102 14.179 0.809 9.381 1.00 0.00 C ATOM 1272 C LYS A 102 12.731 1.271 9.269 1.00 0.00 C ATOM 1273 O LYS A 102 12.404 2.390 9.672 1.00 0.00 O ATOM 1274 CB LYS A 102 14.578 0.443 10.826 1.00 0.00 C ATOM 1275 CG LYS A 102 13.916 -0.865 11.307 1.00 0.00 C ATOM 1276 CD LYS A 102 12.764 -0.662 12.295 1.00 0.00 C ATOM 1277 CE LYS A 102 11.786 -1.845 12.304 1.00 0.00 C ATOM 1278 NZ LYS A 102 12.393 -3.143 12.681 1.00 0.00 N ATOM 0 H LYS A 102 15.580 2.350 9.584 1.00 0.00 H new ATOM 0 HA LYS A 102 14.295 -0.103 8.795 1.00 0.00 H new ATOM 0 HB2 LYS A 102 15.662 0.342 10.886 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.296 1.256 11.495 1.00 0.00 H new ATOM 0 HG2 LYS A 102 13.544 -1.410 10.440 1.00 0.00 H new ATOM 0 HG3 LYS A 102 14.675 -1.492 11.776 1.00 0.00 H new ATOM 0 HD2 LYS A 102 13.169 -0.521 13.297 1.00 0.00 H new ATOM 0 HD3 LYS A 102 12.225 0.250 12.038 1.00 0.00 H new ATOM 0 HE2 LYS A 102 10.974 -1.623 12.997 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.342 -1.940 11.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 11.665 -3.885 12.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 13.149 -3.382 12.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 12.792 -3.074 13.639 1.00 0.00 H new ATOM 1292 N LEU A 103 11.866 0.421 8.716 1.00 0.00 N ATOM 1293 CA LEU A 103 10.465 0.754 8.493 1.00 0.00 C ATOM 1294 C LEU A 103 9.762 0.976 9.826 1.00 0.00 C ATOM 1295 O LEU A 103 10.008 0.269 10.805 1.00 0.00 O ATOM 1296 CB LEU A 103 9.730 -0.380 7.749 1.00 0.00 C ATOM 1297 CG LEU A 103 10.222 -0.794 6.347 1.00 0.00 C ATOM 1298 CD1 LEU A 103 10.638 0.383 5.468 1.00 0.00 C ATOM 1299 CD2 LEU A 103 11.337 -1.833 6.417 1.00 0.00 C ATOM 0 H LEU A 103 12.120 -0.518 8.411 1.00 0.00 H new ATOM 0 HA LEU A 103 10.439 1.660 7.888 1.00 0.00 H new ATOM 0 HB2 LEU A 103 9.762 -1.265 8.384 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.683 -0.090 7.658 1.00 0.00 H new ATOM 0 HG LEU A 103 9.355 -1.248 5.867 1.00 0.00 H new ATOM 0 HD11 LEU A 103 10.972 0.013 4.499 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.788 1.051 5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 103 11.451 0.926 5.949 1.00 0.00 H new ATOM 0 HD21 LEU A 103 11.653 -2.096 5.408 1.00 0.00 H new ATOM 0 HD22 LEU A 103 12.183 -1.422 6.967 1.00 0.00 H new ATOM 0 HD23 LEU A 103 10.972 -2.725 6.927 1.00 0.00 H new ATOM 1311 N LYS A 104 8.799 1.898 9.820 1.00 0.00 N ATOM 1312 CA LYS A 104 7.786 2.025 10.851 1.00 0.00 C ATOM 1313 C LYS A 104 6.974 0.733 10.946 1.00 0.00 C ATOM 1314 O LYS A 104 7.065 -0.125 10.069 1.00 0.00 O ATOM 1315 CB LYS A 104 6.872 3.197 10.469 1.00 0.00 C ATOM 1316 CG LYS A 104 7.394 4.575 10.881 1.00 0.00 C ATOM 1317 CD LYS A 104 8.556 5.122 10.054 1.00 0.00 C ATOM 1318 CE LYS A 104 8.674 6.620 10.382 1.00 0.00 C ATOM 1319 NZ LYS A 104 9.495 7.367 9.410 1.00 0.00 N ATOM 0 H LYS A 104 8.705 2.591 9.077 1.00 0.00 H new ATOM 0 HA LYS A 104 8.249 2.207 11.821 1.00 0.00 H new ATOM 0 HB2 LYS A 104 6.724 3.188 9.389 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.895 3.042 10.926 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.569 5.286 10.828 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.707 4.527 11.924 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.482 4.600 10.297 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.376 4.973 8.989 1.00 0.00 H new ATOM 0 HE2 LYS A 104 7.676 7.057 10.416 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.106 6.734 11.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.535 8.369 9.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.457 6.973 9.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.072 7.286 8.463 1.00 0.00 H new ATOM 1333 N ALA A 105 6.109 0.624 11.952 1.00 0.00 N ATOM 1334 CA ALA A 105 5.094 -0.417 12.050 1.00 0.00 C ATOM 1335 C ALA A 105 3.756 0.242 12.349 1.00 0.00 C ATOM 1336 O ALA A 105 3.522 0.733 13.456 1.00 0.00 O ATOM 1337 CB ALA A 105 5.452 -1.455 13.114 1.00 0.00 C ATOM 0 H ALA A 105 6.096 1.273 12.739 1.00 0.00 H new ATOM 0 HA ALA A 105 5.035 -0.955 11.104 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.672 -2.215 13.158 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.402 -1.925 12.859 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.538 -0.966 14.085 1.00 0.00 H new ATOM 1343 N LYS A 106 2.874 0.254 11.357 1.00 0.00 N ATOM 1344 CA LYS A 106 1.489 0.687 11.463 1.00 0.00 C ATOM 1345 C LYS A 106 0.683 -0.563 11.147 1.00 0.00 C ATOM 1346 O LYS A 106 0.393 -0.830 9.984 1.00 0.00 O ATOM 1347 CB LYS A 106 1.282 1.859 10.494 1.00 0.00 C ATOM 1348 CG LYS A 106 -0.152 2.365 10.326 1.00 0.00 C ATOM 1349 CD LYS A 106 -0.574 3.354 11.411 1.00 0.00 C ATOM 1350 CE LYS A 106 -1.838 4.081 10.945 1.00 0.00 C ATOM 1351 NZ LYS A 106 -2.488 4.812 12.044 1.00 0.00 N ATOM 0 H LYS A 106 3.117 -0.052 10.415 1.00 0.00 H new ATOM 0 HA LYS A 106 1.182 1.067 12.437 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.900 2.692 10.830 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.655 1.561 9.514 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.250 2.842 9.351 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -0.834 1.514 10.334 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -0.763 2.830 12.348 1.00 0.00 H new ATOM 0 HD3 LYS A 106 0.225 4.070 11.602 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -1.582 4.778 10.147 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -2.538 3.359 10.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -3.340 5.290 11.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -2.755 4.144 12.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -1.829 5.519 12.428 1.00 0.00 H new ATOM 1365 N ALA A 107 0.447 -1.399 12.154 1.00 0.00 N ATOM 1366 CA ALA A 107 -0.458 -2.525 12.005 1.00 0.00 C ATOM 1367 C ALA A 107 -1.870 -1.981 12.139 1.00 0.00 C ATOM 1368 O ALA A 107 -2.116 -1.125 12.993 1.00 0.00 O ATOM 1369 CB ALA A 107 -0.178 -3.611 13.047 1.00 0.00 C ATOM 0 H ALA A 107 0.871 -1.315 13.078 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.320 -2.998 11.033 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.874 -4.438 12.906 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.844 -3.972 12.931 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.305 -3.197 14.047 1.00 0.00 H new ATOM 1375 N LEU A 108 -2.770 -2.454 11.284 1.00 0.00 N ATOM 1376 CA LEU A 108 -4.163 -2.041 11.225 1.00 0.00 C ATOM 1377 C LEU A 108 -4.982 -3.265 10.877 1.00 0.00 C ATOM 1378 O LEU A 108 -4.527 -4.091 10.079 1.00 0.00 O ATOM 1379 CB LEU A 108 -4.364 -1.009 10.104 1.00 0.00 C ATOM 1380 CG LEU A 108 -3.575 0.295 10.283 1.00 0.00 C ATOM 1381 CD1 LEU A 108 -3.655 1.090 8.981 1.00 0.00 C ATOM 1382 CD2 LEU A 108 -4.115 1.123 11.448 1.00 0.00 C ATOM 0 H LEU A 108 -2.538 -3.162 10.588 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.460 -1.604 12.178 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -4.078 -1.463 9.155 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.425 -0.769 10.036 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.538 0.055 10.516 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.099 2.022 9.089 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.225 0.503 8.169 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -4.698 1.314 8.755 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.532 2.039 11.545 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.159 1.375 11.262 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.040 0.546 12.370 1.00 0.00 H new ATOM 1394 N THR A 109 -6.210 -3.362 11.365 1.00 0.00 N ATOM 1395 CA THR A 109 -7.117 -4.414 10.934 1.00 0.00 C ATOM 1396 C THR A 109 -7.656 -4.118 9.531 1.00 0.00 C ATOM 1397 O THR A 109 -7.804 -2.952 9.145 1.00 0.00 O ATOM 1398 CB THR A 109 -8.226 -4.602 11.979 1.00 0.00 C ATOM 1399 OG1 THR A 109 -8.506 -3.417 12.709 1.00 0.00 O ATOM 1400 CG2 THR A 109 -7.772 -5.673 12.971 1.00 0.00 C ATOM 0 H THR A 109 -6.601 -2.725 12.059 1.00 0.00 H new ATOM 0 HA THR A 109 -6.580 -5.360 10.861 1.00 0.00 H new ATOM 0 HB THR A 109 -9.134 -4.885 11.446 1.00 0.00 H new ATOM 0 HG1 THR A 109 -9.219 -3.593 13.358 1.00 0.00 H new ATOM 0 HG21 THR A 109 -8.546 -5.823 13.724 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.595 -6.609 12.441 1.00 0.00 H new ATOM 0 HG23 THR A 109 -6.851 -5.352 13.457 1.00 0.00 H new ATOM 1408 N LEU A 110 -7.963 -5.162 8.750 1.00 0.00 N ATOM 1409 CA LEU A 110 -8.587 -5.034 7.437 1.00 0.00 C ATOM 1410 C LEU A 110 -9.897 -4.264 7.541 1.00 0.00 C ATOM 1411 O LEU A 110 -10.206 -3.465 6.658 1.00 0.00 O ATOM 1412 CB LEU A 110 -8.878 -6.420 6.836 1.00 0.00 C ATOM 1413 CG LEU A 110 -7.682 -7.115 6.170 1.00 0.00 C ATOM 1414 CD1 LEU A 110 -8.107 -8.503 5.675 1.00 0.00 C ATOM 1415 CD2 LEU A 110 -7.158 -6.336 4.962 1.00 0.00 C ATOM 0 H LEU A 110 -7.781 -6.129 9.020 1.00 0.00 H new ATOM 0 HA LEU A 110 -7.893 -4.495 6.792 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.258 -7.067 7.626 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.674 -6.317 6.098 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.893 -7.178 6.920 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.258 -8.996 5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.450 -9.101 6.519 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.915 -8.399 4.951 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -6.313 -6.867 4.525 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.950 -6.241 4.219 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -6.838 -5.344 5.280 1.00 0.00 H new ATOM 1427 N SER A 111 -10.657 -4.495 8.617 1.00 0.00 N ATOM 1428 CA SER A 111 -11.893 -3.766 8.838 1.00 0.00 C ATOM 1429 C SER A 111 -11.643 -2.257 8.826 1.00 0.00 C ATOM 1430 O SER A 111 -12.418 -1.548 8.185 1.00 0.00 O ATOM 1431 CB SER A 111 -12.582 -4.213 10.131 1.00 0.00 C ATOM 1432 OG SER A 111 -13.953 -3.862 10.066 1.00 0.00 O ATOM 0 H SER A 111 -10.433 -5.179 9.340 1.00 0.00 H new ATOM 0 HA SER A 111 -12.571 -3.997 8.017 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.474 -5.290 10.263 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.112 -3.738 10.992 1.00 0.00 H new ATOM 0 HG SER A 111 -14.403 -4.146 10.889 1.00 0.00 H new ATOM 1438 N GLN A 112 -10.563 -1.776 9.463 1.00 0.00 N ATOM 1439 CA GLN A 112 -10.220 -0.363 9.507 1.00 0.00 C ATOM 1440 C GLN A 112 -10.085 0.189 8.095 1.00 0.00 C ATOM 1441 O GLN A 112 -10.814 1.110 7.745 1.00 0.00 O ATOM 1442 CB GLN A 112 -8.943 -0.114 10.341 1.00 0.00 C ATOM 1443 CG GLN A 112 -9.193 0.928 11.438 1.00 0.00 C ATOM 1444 CD GLN A 112 -8.130 2.015 11.521 1.00 0.00 C ATOM 1445 OE1 GLN A 112 -7.302 2.046 12.428 1.00 0.00 O ATOM 1446 NE2 GLN A 112 -8.153 2.945 10.587 1.00 0.00 N ATOM 0 H GLN A 112 -9.903 -2.371 9.964 1.00 0.00 H new ATOM 0 HA GLN A 112 -11.029 0.170 10.005 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -8.612 -1.049 10.792 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -8.139 0.227 9.688 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -10.162 1.396 11.265 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -9.252 0.419 12.400 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -8.848 2.902 9.842 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -7.476 3.707 10.610 1.00 0.00 H new ATOM 1455 N LEU A 113 -9.215 -0.400 7.270 1.00 0.00 N ATOM 1456 CA LEU A 113 -8.988 0.059 5.899 1.00 0.00 C ATOM 1457 C LEU A 113 -10.296 0.112 5.110 1.00 0.00 C ATOM 1458 O LEU A 113 -10.526 1.044 4.337 1.00 0.00 O ATOM 1459 CB LEU A 113 -8.001 -0.884 5.186 1.00 0.00 C ATOM 1460 CG LEU A 113 -6.536 -0.793 5.649 1.00 0.00 C ATOM 1461 CD1 LEU A 113 -5.695 -1.799 4.855 1.00 0.00 C ATOM 1462 CD2 LEU A 113 -5.934 0.598 5.456 1.00 0.00 C ATOM 0 H LEU A 113 -8.650 -1.207 7.534 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.570 1.065 5.947 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -8.343 -1.910 5.324 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -8.038 -0.677 4.116 1.00 0.00 H new ATOM 0 HG LEU A 113 -6.526 -1.013 6.716 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.656 -1.740 5.178 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -6.072 -2.807 5.030 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.758 -1.567 3.792 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.900 0.598 5.801 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.964 0.864 4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -6.508 1.326 6.030 1.00 0.00 H new ATOM 1474 N LYS A 114 -11.167 -0.883 5.303 1.00 0.00 N ATOM 1475 CA LYS A 114 -12.432 -0.970 4.594 1.00 0.00 C ATOM 1476 C LYS A 114 -13.394 0.118 5.061 1.00 0.00 C ATOM 1477 O LYS A 114 -14.190 0.616 4.266 1.00 0.00 O ATOM 1478 CB LYS A 114 -12.994 -2.384 4.792 1.00 0.00 C ATOM 1479 CG LYS A 114 -14.233 -2.659 3.934 1.00 0.00 C ATOM 1480 CD LYS A 114 -15.563 -2.382 4.638 1.00 0.00 C ATOM 1481 CE LYS A 114 -16.734 -2.562 3.664 1.00 0.00 C ATOM 1482 NZ LYS A 114 -17.249 -1.278 3.150 1.00 0.00 N ATOM 0 H LYS A 114 -11.008 -1.649 5.958 1.00 0.00 H new ATOM 0 HA LYS A 114 -12.286 -0.799 3.527 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -12.221 -3.114 4.550 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -13.247 -2.525 5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -14.179 -2.048 3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -14.215 -3.701 3.615 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -15.680 -3.057 5.486 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -15.566 -1.367 5.036 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -16.413 -3.181 2.827 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -17.540 -3.097 4.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -18.120 -1.446 2.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -17.455 -0.643 3.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -16.535 -0.839 2.534 1.00 0.00 H new ATOM 1496 N LYS A 115 -13.397 0.425 6.355 1.00 0.00 N ATOM 1497 CA LYS A 115 -14.204 1.472 6.950 1.00 0.00 C ATOM 1498 C LYS A 115 -13.679 2.859 6.568 1.00 0.00 C ATOM 1499 O LYS A 115 -14.471 3.799 6.578 1.00 0.00 O ATOM 1500 CB LYS A 115 -14.153 1.302 8.480 1.00 0.00 C ATOM 1501 CG LYS A 115 -15.498 0.944 9.126 1.00 0.00 C ATOM 1502 CD LYS A 115 -15.818 -0.562 9.162 1.00 0.00 C ATOM 1503 CE LYS A 115 -16.244 -1.148 7.812 1.00 0.00 C ATOM 1504 NZ LYS A 115 -17.043 -2.385 7.972 1.00 0.00 N ATOM 0 H LYS A 115 -12.818 -0.067 7.035 1.00 0.00 H new ATOM 0 HA LYS A 115 -15.228 1.392 6.584 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -13.429 0.524 8.722 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.786 2.228 8.924 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -15.508 1.328 10.146 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -16.293 1.457 8.585 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -14.939 -1.100 9.517 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -16.613 -0.735 9.887 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -16.827 -0.408 7.263 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -15.358 -1.363 7.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -17.311 -2.749 7.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -16.479 -3.101 8.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -17.901 -2.175 8.520 1.00 0.00 H new ATOM 1518 N GLU A 116 -12.378 3.007 6.322 1.00 0.00 N ATOM 1519 CA GLU A 116 -11.735 4.305 6.173 1.00 0.00 C ATOM 1520 C GLU A 116 -11.765 4.799 4.734 1.00 0.00 C ATOM 1521 O GLU A 116 -12.058 5.982 4.532 1.00 0.00 O ATOM 1522 CB GLU A 116 -10.293 4.243 6.697 1.00 0.00 C ATOM 1523 CG GLU A 116 -10.239 4.318 8.229 1.00 0.00 C ATOM 1524 CD GLU A 116 -10.819 5.610 8.804 1.00 0.00 C ATOM 1525 OE1 GLU A 116 -10.546 6.703 8.256 1.00 0.00 O ATOM 1526 OE2 GLU A 116 -11.525 5.511 9.836 1.00 0.00 O ATOM 0 H GLU A 116 -11.738 2.220 6.220 1.00 0.00 H new ATOM 0 HA GLU A 116 -12.300 5.023 6.767 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.824 3.318 6.362 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.716 5.065 6.272 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.783 3.470 8.644 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -9.203 4.221 8.552 1.00 0.00 H new ATOM 1533 N PHE A 117 -11.497 3.934 3.747 1.00 0.00 N ATOM 1534 CA PHE A 117 -11.430 4.317 2.343 1.00 0.00 C ATOM 1535 C PHE A 117 -12.209 3.361 1.429 1.00 0.00 C ATOM 1536 O PHE A 117 -12.007 3.373 0.218 1.00 0.00 O ATOM 1537 CB PHE A 117 -9.962 4.386 1.918 1.00 0.00 C ATOM 1538 CG PHE A 117 -9.001 5.006 2.911 1.00 0.00 C ATOM 1539 CD1 PHE A 117 -8.922 6.404 3.051 1.00 0.00 C ATOM 1540 CD2 PHE A 117 -8.204 4.171 3.718 1.00 0.00 C ATOM 1541 CE1 PHE A 117 -8.054 6.964 4.006 1.00 0.00 C ATOM 1542 CE2 PHE A 117 -7.345 4.735 4.673 1.00 0.00 C ATOM 1543 CZ PHE A 117 -7.265 6.130 4.817 1.00 0.00 C ATOM 0 H PHE A 117 -11.320 2.943 3.909 1.00 0.00 H new ATOM 0 HA PHE A 117 -11.902 5.294 2.238 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -9.622 3.374 1.700 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -9.902 4.950 0.987 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -9.526 7.046 2.427 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -8.254 3.098 3.602 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -7.994 8.037 4.116 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -6.743 4.094 5.300 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.599 6.561 5.549 1.00 0.00 H new ATOM 1553 N TYR A 118 -13.085 2.503 1.966 1.00 0.00 N ATOM 1554 CA TYR A 118 -13.909 1.593 1.169 1.00 0.00 C ATOM 1555 C TYR A 118 -15.368 1.544 1.638 1.00 0.00 C ATOM 1556 O TYR A 118 -16.064 0.540 1.469 1.00 0.00 O ATOM 1557 CB TYR A 118 -13.236 0.226 1.051 1.00 0.00 C ATOM 1558 CG TYR A 118 -13.565 -0.493 -0.241 1.00 0.00 C ATOM 1559 CD1 TYR A 118 -13.137 0.031 -1.481 1.00 0.00 C ATOM 1560 CD2 TYR A 118 -14.307 -1.685 -0.198 1.00 0.00 C ATOM 1561 CE1 TYR A 118 -13.413 -0.651 -2.684 1.00 0.00 C ATOM 1562 CE2 TYR A 118 -14.547 -2.399 -1.376 1.00 0.00 C ATOM 1563 CZ TYR A 118 -14.061 -1.913 -2.608 1.00 0.00 C ATOM 1564 OH TYR A 118 -14.236 -2.707 -3.692 1.00 0.00 O ATOM 0 H TYR A 118 -13.241 2.422 2.971 1.00 0.00 H new ATOM 0 HA TYR A 118 -13.977 1.992 0.157 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -12.156 0.353 1.123 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -13.541 -0.396 1.893 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -12.593 0.963 -1.508 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -14.691 -2.049 0.743 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -13.139 -0.225 -3.638 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -15.105 -3.323 -1.343 1.00 0.00 H new ATOM 0 HH TYR A 118 -14.476 -3.611 -3.400 1.00 0.00 H new ATOM 1574 N GLN A 119 -15.838 2.627 2.248 1.00 0.00 N ATOM 1575 CA GLN A 119 -17.144 2.778 2.871 1.00 0.00 C ATOM 1576 C GLN A 119 -18.195 3.370 1.934 1.00 0.00 C ATOM 1577 O GLN A 119 -19.380 3.182 2.191 1.00 0.00 O ATOM 1578 CB GLN A 119 -17.021 3.612 4.162 1.00 0.00 C ATOM 1579 CG GLN A 119 -16.650 5.109 4.041 1.00 0.00 C ATOM 1580 CD GLN A 119 -15.217 5.370 3.577 1.00 0.00 C ATOM 1581 OE1 GLN A 119 -14.393 4.471 3.562 1.00 0.00 O ATOM 1582 NE2 GLN A 119 -14.893 6.554 3.100 1.00 0.00 N ATOM 0 H GLN A 119 -15.279 3.477 2.324 1.00 0.00 H new ATOM 0 HA GLN A 119 -17.495 1.777 3.119 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -17.972 3.548 4.690 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -16.273 3.135 4.795 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -17.338 5.586 3.342 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -16.798 5.587 5.010 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -15.576 7.312 3.109 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -13.959 6.713 2.722 1.00 0.00 H new ATOM 1591 N THR A 120 -17.792 4.072 0.875 1.00 0.00 N ATOM 1592 CA THR A 120 -18.712 4.760 -0.035 1.00 0.00 C ATOM 1593 C THR A 120 -19.176 3.801 -1.156 1.00 0.00 C ATOM 1594 O THR A 120 -18.999 2.575 -1.057 1.00 0.00 O ATOM 1595 CB THR A 120 -18.094 6.096 -0.527 1.00 0.00 C ATOM 1596 OG1 THR A 120 -17.262 5.919 -1.640 1.00 0.00 O ATOM 1597 CG2 THR A 120 -17.247 6.821 0.524 1.00 0.00 C ATOM 0 H THR A 120 -16.810 4.181 0.621 1.00 0.00 H new ATOM 0 HA THR A 120 -19.622 5.047 0.493 1.00 0.00 H new ATOM 0 HB THR A 120 -18.970 6.697 -0.771 1.00 0.00 H new ATOM 0 HG1 THR A 120 -17.116 4.962 -1.791 1.00 0.00 H new ATOM 0 HG21 THR A 120 -16.853 7.744 0.100 1.00 0.00 H new ATOM 0 HG22 THR A 120 -17.865 7.055 1.391 1.00 0.00 H new ATOM 0 HG23 THR A 120 -16.420 6.180 0.830 1.00 0.00 H new ATOM 1605 N ARG A 121 -19.816 4.333 -2.208 1.00 0.00 N ATOM 1606 CA ARG A 121 -19.963 3.653 -3.503 1.00 0.00 C ATOM 1607 C ARG A 121 -18.985 4.246 -4.526 1.00 0.00 C ATOM 1608 O ARG A 121 -18.386 3.498 -5.288 1.00 0.00 O ATOM 1609 CB ARG A 121 -21.396 3.791 -4.058 1.00 0.00 C ATOM 1610 CG ARG A 121 -22.574 3.283 -3.206 1.00 0.00 C ATOM 1611 CD ARG A 121 -22.542 1.792 -2.840 1.00 0.00 C ATOM 1612 NE ARG A 121 -21.701 1.545 -1.660 1.00 0.00 N ATOM 1613 CZ ARG A 121 -22.046 1.721 -0.380 1.00 0.00 C ATOM 1614 NH1 ARG A 121 -23.295 1.942 0.007 1.00 0.00 N ATOM 1615 NH2 ARG A 121 -21.104 1.692 0.542 1.00 0.00 N ATOM 0 H ARG A 121 -20.250 5.256 -2.183 1.00 0.00 H new ATOM 0 HA ARG A 121 -19.748 2.597 -3.339 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -21.570 4.847 -4.265 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -21.431 3.269 -5.014 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -22.607 3.863 -2.284 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -23.500 3.486 -3.744 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -23.556 1.442 -2.645 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -22.163 1.217 -3.685 1.00 0.00 H new ATOM 0 HE ARG A 121 -20.756 1.204 -1.836 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -24.043 1.984 -0.685 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -23.507 2.070 0.996 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -20.132 1.537 0.274 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -21.347 1.824 1.524 1.00 0.00 H new ATOM 1629 N SER A 122 -18.837 5.575 -4.586 1.00 0.00 N ATOM 1630 CA SER A 122 -18.007 6.244 -5.589 1.00 0.00 C ATOM 1631 C SER A 122 -16.519 5.903 -5.474 1.00 0.00 C ATOM 1632 O SER A 122 -15.807 6.006 -6.469 1.00 0.00 O ATOM 1633 CB SER A 122 -18.209 7.763 -5.489 1.00 0.00 C ATOM 1634 OG SER A 122 -19.008 8.225 -6.555 1.00 0.00 O ATOM 0 H SER A 122 -19.292 6.217 -3.937 1.00 0.00 H new ATOM 0 HA SER A 122 -18.330 5.879 -6.564 1.00 0.00 H new ATOM 0 HB2 SER A 122 -18.681 8.011 -4.538 1.00 0.00 H new ATOM 0 HB3 SER A 122 -17.242 8.266 -5.506 1.00 0.00 H new ATOM 0 HG SER A 122 -19.129 9.194 -6.477 1.00 0.00 H new ATOM 1640 N GLN A 123 -16.016 5.464 -4.321 1.00 0.00 N ATOM 1641 CA GLN A 123 -14.632 5.018 -4.219 1.00 0.00 C ATOM 1642 C GLN A 123 -14.397 3.766 -5.063 1.00 0.00 C ATOM 1643 O GLN A 123 -13.279 3.520 -5.493 1.00 0.00 O ATOM 1644 CB GLN A 123 -14.239 4.809 -2.752 1.00 0.00 C ATOM 1645 CG GLN A 123 -14.364 3.391 -2.175 1.00 0.00 C ATOM 1646 CD GLN A 123 -15.767 2.790 -2.140 1.00 0.00 C ATOM 1647 OE1 GLN A 123 -16.711 3.328 -2.692 1.00 0.00 O ATOM 1648 NE2 GLN A 123 -15.956 1.648 -1.503 1.00 0.00 N ATOM 0 H GLN A 123 -16.545 5.409 -3.450 1.00 0.00 H new ATOM 0 HA GLN A 123 -13.985 5.798 -4.621 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -13.204 5.130 -2.633 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -14.851 5.474 -2.143 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -13.724 2.728 -2.757 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -13.972 3.401 -1.158 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -15.174 1.188 -1.037 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -16.884 1.226 -1.477 1.00 0.00 H new ATOM 1657 N LYS A 124 -15.437 2.975 -5.334 1.00 0.00 N ATOM 1658 CA LYS A 124 -15.350 1.812 -6.219 1.00 0.00 C ATOM 1659 C LYS A 124 -15.059 2.215 -7.665 1.00 0.00 C ATOM 1660 O LYS A 124 -14.858 1.338 -8.501 1.00 0.00 O ATOM 1661 CB LYS A 124 -16.636 0.974 -6.170 1.00 0.00 C ATOM 1662 CG LYS A 124 -16.964 0.526 -4.742 1.00 0.00 C ATOM 1663 CD LYS A 124 -18.147 -0.445 -4.692 1.00 0.00 C ATOM 1664 CE LYS A 124 -17.752 -1.756 -4.017 1.00 0.00 C ATOM 1665 NZ LYS A 124 -16.821 -2.542 -4.855 1.00 0.00 N ATOM 0 H LYS A 124 -16.368 3.124 -4.944 1.00 0.00 H new ATOM 0 HA LYS A 124 -14.518 1.209 -5.855 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -17.466 1.557 -6.569 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -16.525 0.099 -6.810 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -16.087 0.049 -4.303 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -17.190 1.401 -4.132 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -18.974 0.012 -4.150 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -18.501 -0.645 -5.703 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -17.286 -1.544 -3.055 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -18.646 -2.345 -3.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -17.194 -3.505 -4.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -16.723 -2.087 -5.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -15.891 -2.587 -4.392 1.00 0.00 H new ATOM 1679 N ARG A 125 -15.068 3.509 -7.999 1.00 0.00 N ATOM 1680 CA ARG A 125 -14.365 3.996 -9.172 1.00 0.00 C ATOM 1681 C ARG A 125 -12.909 4.120 -8.795 1.00 0.00 C ATOM 1682 O ARG A 125 -12.130 3.277 -9.202 1.00 0.00 O ATOM 1683 CB ARG A 125 -14.980 5.303 -9.690 1.00 0.00 C ATOM 1684 CG ARG A 125 -16.066 5.058 -10.731 1.00 0.00 C ATOM 1685 CD ARG A 125 -17.169 4.082 -10.289 1.00 0.00 C ATOM 1686 NE ARG A 125 -18.229 4.003 -11.300 1.00 0.00 N ATOM 1687 CZ ARG A 125 -18.120 3.451 -12.514 1.00 0.00 C ATOM 1688 NH1 ARG A 125 -17.081 2.688 -12.833 1.00 0.00 N ATOM 1689 NH2 ARG A 125 -19.070 3.707 -13.401 1.00 0.00 N ATOM 0 H ARG A 125 -15.556 4.231 -7.469 1.00 0.00 H new ATOM 0 HA ARG A 125 -14.457 3.302 -10.007 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -15.401 5.861 -8.853 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -14.196 5.924 -10.125 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -16.526 6.012 -10.989 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -15.601 4.673 -11.638 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -16.742 3.093 -10.125 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -17.590 4.408 -9.338 1.00 0.00 H new ATOM 0 HE ARG A 125 -19.133 4.406 -11.055 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -16.347 2.513 -12.147 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -17.017 2.277 -13.764 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -19.854 4.309 -13.149 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -19.017 3.302 -14.336 1.00 0.00 H new ATOM 1703 N GLU A 126 -12.542 5.147 -8.038 1.00 0.00 N ATOM 1704 CA GLU A 126 -11.151 5.535 -7.845 1.00 0.00 C ATOM 1705 C GLU A 126 -10.263 4.404 -7.327 1.00 0.00 C ATOM 1706 O GLU A 126 -9.256 4.087 -7.942 1.00 0.00 O ATOM 1707 CB GLU A 126 -11.117 6.731 -6.871 1.00 0.00 C ATOM 1708 CG GLU A 126 -10.980 8.053 -7.616 1.00 0.00 C ATOM 1709 CD GLU A 126 -11.500 9.239 -6.796 1.00 0.00 C ATOM 1710 OE1 GLU A 126 -10.753 9.864 -6.018 1.00 0.00 O ATOM 1711 OE2 GLU A 126 -12.691 9.593 -6.988 1.00 0.00 O ATOM 0 H GLU A 126 -13.206 5.738 -7.538 1.00 0.00 H new ATOM 0 HA GLU A 126 -10.742 5.804 -8.819 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -12.029 6.741 -6.274 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -10.283 6.614 -6.178 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -9.932 8.219 -7.867 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -11.528 7.996 -8.556 1.00 0.00 H new ATOM 1718 N VAL A 127 -10.626 3.799 -6.203 1.00 0.00 N ATOM 1719 CA VAL A 127 -9.874 2.724 -5.560 1.00 0.00 C ATOM 1720 C VAL A 127 -9.728 1.545 -6.526 1.00 0.00 C ATOM 1721 O VAL A 127 -8.618 1.071 -6.754 1.00 0.00 O ATOM 1722 CB VAL A 127 -10.542 2.329 -4.224 1.00 0.00 C ATOM 1723 CG1 VAL A 127 -9.786 1.211 -3.493 1.00 0.00 C ATOM 1724 CG2 VAL A 127 -10.642 3.533 -3.271 1.00 0.00 C ATOM 0 H VAL A 127 -11.476 4.049 -5.697 1.00 0.00 H new ATOM 0 HA VAL A 127 -8.868 3.066 -5.316 1.00 0.00 H new ATOM 0 HB VAL A 127 -11.536 1.971 -4.491 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -10.299 0.974 -2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -9.750 0.323 -4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -8.771 1.541 -3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -11.116 3.222 -2.340 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -9.643 3.914 -3.059 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -11.238 4.318 -3.737 1.00 0.00 H new ATOM 1734 N ASP A 128 -10.837 1.037 -7.073 1.00 0.00 N ATOM 1735 CA ASP A 128 -10.798 -0.058 -8.054 1.00 0.00 C ATOM 1736 C ASP A 128 -10.029 0.314 -9.327 1.00 0.00 C ATOM 1737 O ASP A 128 -9.500 -0.559 -10.012 1.00 0.00 O ATOM 1738 CB ASP A 128 -12.232 -0.490 -8.412 1.00 0.00 C ATOM 1739 CG ASP A 128 -12.491 -2.000 -8.385 1.00 0.00 C ATOM 1740 OD1 ASP A 128 -11.549 -2.809 -8.239 1.00 0.00 O ATOM 1741 OD2 ASP A 128 -13.694 -2.375 -8.375 1.00 0.00 O ATOM 0 H ASP A 128 -11.777 1.366 -6.854 1.00 0.00 H new ATOM 0 HA ASP A 128 -10.263 -0.887 -7.590 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -12.922 -0.008 -7.719 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -12.468 -0.116 -9.408 1.00 0.00 H new ATOM 1746 N ASP A 129 -9.962 1.601 -9.662 1.00 0.00 N ATOM 1747 CA ASP A 129 -9.208 2.134 -10.790 1.00 0.00 C ATOM 1748 C ASP A 129 -7.717 2.123 -10.484 1.00 0.00 C ATOM 1749 O ASP A 129 -6.934 1.666 -11.309 1.00 0.00 O ATOM 1750 CB ASP A 129 -9.717 3.519 -11.165 1.00 0.00 C ATOM 1751 CG ASP A 129 -9.048 4.062 -12.419 1.00 0.00 C ATOM 1752 OD1 ASP A 129 -7.941 4.627 -12.315 1.00 0.00 O ATOM 1753 OD2 ASP A 129 -9.694 4.013 -13.491 1.00 0.00 O ATOM 0 H ASP A 129 -10.450 2.326 -9.135 1.00 0.00 H new ATOM 0 HA ASP A 129 -9.361 1.494 -11.659 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -10.795 3.477 -11.320 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -9.541 4.205 -10.336 1.00 0.00 H new ATOM 1758 N TYR A 130 -7.321 2.511 -9.267 1.00 0.00 N ATOM 1759 CA TYR A 130 -5.945 2.401 -8.802 1.00 0.00 C ATOM 1760 C TYR A 130 -5.472 0.946 -8.888 1.00 0.00 C ATOM 1761 O TYR A 130 -4.351 0.689 -9.323 1.00 0.00 O ATOM 1762 CB TYR A 130 -5.789 2.954 -7.372 1.00 0.00 C ATOM 1763 CG TYR A 130 -6.293 4.366 -7.071 1.00 0.00 C ATOM 1764 CD1 TYR A 130 -6.320 5.377 -8.055 1.00 0.00 C ATOM 1765 CD2 TYR A 130 -6.744 4.675 -5.772 1.00 0.00 C ATOM 1766 CE1 TYR A 130 -6.801 6.664 -7.753 1.00 0.00 C ATOM 1767 CE2 TYR A 130 -7.259 5.946 -5.468 1.00 0.00 C ATOM 1768 CZ TYR A 130 -7.299 6.942 -6.464 1.00 0.00 C ATOM 1769 OH TYR A 130 -7.803 8.168 -6.165 1.00 0.00 O ATOM 0 H TYR A 130 -7.955 2.912 -8.576 1.00 0.00 H new ATOM 0 HA TYR A 130 -5.315 3.008 -9.453 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -6.301 2.269 -6.695 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -4.729 2.920 -7.119 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -5.967 5.160 -9.052 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -6.693 3.923 -4.998 1.00 0.00 H new ATOM 0 HE1 TYR A 130 -6.789 7.437 -8.507 1.00 0.00 H new ATOM 0 HE2 TYR A 130 -7.623 6.159 -4.474 1.00 0.00 H new ATOM 0 HH TYR A 130 -8.488 8.079 -5.470 1.00 0.00 H new ATOM 1779 N VAL A 131 -6.310 -0.028 -8.514 1.00 0.00 N ATOM 1780 CA VAL A 131 -5.940 -1.441 -8.617 1.00 0.00 C ATOM 1781 C VAL A 131 -5.892 -1.896 -10.086 1.00 0.00 C ATOM 1782 O VAL A 131 -5.118 -2.795 -10.421 1.00 0.00 O ATOM 1783 CB VAL A 131 -6.884 -2.326 -7.775 1.00 0.00 C ATOM 1784 CG1 VAL A 131 -6.377 -3.779 -7.766 1.00 0.00 C ATOM 1785 CG2 VAL A 131 -6.966 -1.884 -6.306 1.00 0.00 C ATOM 0 H VAL A 131 -7.244 0.137 -8.139 1.00 0.00 H new ATOM 0 HA VAL A 131 -4.936 -1.557 -8.208 1.00 0.00 H new ATOM 0 HB VAL A 131 -7.867 -2.234 -8.237 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -7.050 -4.395 -7.169 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -6.345 -4.160 -8.787 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -5.376 -3.813 -7.335 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -7.644 -2.544 -5.765 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -5.975 -1.934 -5.855 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -7.337 -0.860 -6.254 1.00 0.00 H new ATOM 1795 N ALA A 132 -6.701 -1.306 -10.972 1.00 0.00 N ATOM 1796 CA ALA A 132 -6.679 -1.588 -12.404 1.00 0.00 C ATOM 1797 C ALA A 132 -5.509 -0.898 -13.124 1.00 0.00 C ATOM 1798 O ALA A 132 -5.195 -1.274 -14.255 1.00 0.00 O ATOM 1799 CB ALA A 132 -8.015 -1.161 -13.019 1.00 0.00 C ATOM 0 H ALA A 132 -7.398 -0.610 -10.707 1.00 0.00 H new ATOM 0 HA ALA A 132 -6.532 -2.660 -12.533 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -8.006 -1.369 -14.089 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -8.826 -1.716 -12.548 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -8.165 -0.093 -12.858 1.00 0.00 H new ATOM 1805 N GLY A 133 -4.865 0.087 -12.496 1.00 0.00 N ATOM 1806 CA GLY A 133 -3.838 0.945 -13.077 1.00 0.00 C ATOM 1807 C GLY A 133 -2.438 0.597 -12.576 1.00 0.00 C ATOM 1808 O GLY A 133 -1.489 1.343 -12.828 1.00 0.00 O ATOM 0 H GLY A 133 -5.057 0.317 -11.521 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -3.865 0.856 -14.163 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -4.059 1.985 -12.837 1.00 0.00 H new ATOM 1812 N LEU A 134 -2.283 -0.493 -11.819 1.00 0.00 N ATOM 1813 CA LEU A 134 -1.025 -0.832 -11.165 1.00 0.00 C ATOM 1814 C LEU A 134 -0.316 -1.948 -11.937 1.00 0.00 C ATOM 1815 O LEU A 134 -0.959 -2.800 -12.560 1.00 0.00 O ATOM 1816 CB LEU A 134 -1.263 -1.031 -9.655 1.00 0.00 C ATOM 1817 CG LEU A 134 -1.747 -2.383 -9.101 1.00 0.00 C ATOM 1818 CD1 LEU A 134 -0.765 -3.553 -9.237 1.00 0.00 C ATOM 1819 CD2 LEU A 134 -1.967 -2.174 -7.597 1.00 0.00 C ATOM 0 H LEU A 134 -3.031 -1.164 -11.645 1.00 0.00 H new ATOM 0 HA LEU A 134 -0.302 -0.017 -11.200 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -0.326 -0.796 -9.150 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -1.989 -0.280 -9.344 1.00 0.00 H new ATOM 0 HG LEU A 134 -2.630 -2.657 -9.679 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -1.211 -4.453 -8.814 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -0.541 -3.720 -10.291 1.00 0.00 H new ATOM 0 HD13 LEU A 134 0.156 -3.319 -8.703 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -2.313 -3.105 -7.147 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -1.029 -1.872 -7.131 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -2.715 -1.397 -7.443 1.00 0.00 H new ATOM 1831 N ARG A 135 1.018 -1.915 -11.941 1.00 0.00 N ATOM 1832 CA ARG A 135 1.920 -2.788 -12.700 1.00 0.00 C ATOM 1833 C ARG A 135 2.671 -3.698 -11.739 1.00 0.00 C ATOM 1834 O ARG A 135 2.906 -3.306 -10.599 1.00 0.00 O ATOM 1835 CB ARG A 135 2.944 -1.927 -13.454 1.00 0.00 C ATOM 1836 CG ARG A 135 2.322 -1.129 -14.604 1.00 0.00 C ATOM 1837 CD ARG A 135 3.230 0.040 -15.009 1.00 0.00 C ATOM 1838 NE ARG A 135 3.150 0.274 -16.461 1.00 0.00 N ATOM 1839 CZ ARG A 135 4.017 -0.171 -17.379 1.00 0.00 C ATOM 1840 NH1 ARG A 135 5.187 -0.697 -17.037 1.00 0.00 N ATOM 1841 NH2 ARG A 135 3.681 -0.095 -18.658 1.00 0.00 N ATOM 0 H ARG A 135 1.531 -1.236 -11.379 1.00 0.00 H new ATOM 0 HA ARG A 135 1.337 -3.384 -13.403 1.00 0.00 H new ATOM 0 HB2 ARG A 135 3.417 -1.238 -12.754 1.00 0.00 H new ATOM 0 HB3 ARG A 135 3.731 -2.570 -13.849 1.00 0.00 H new ATOM 0 HG2 ARG A 135 2.160 -1.783 -15.461 1.00 0.00 H new ATOM 0 HG3 ARG A 135 1.345 -0.750 -14.303 1.00 0.00 H new ATOM 0 HD2 ARG A 135 2.934 0.941 -14.472 1.00 0.00 H new ATOM 0 HD3 ARG A 135 4.260 -0.176 -14.725 1.00 0.00 H new ATOM 0 HE ARG A 135 2.361 0.826 -16.798 1.00 0.00 H new ATOM 0 HH11 ARG A 135 5.445 -0.770 -16.053 1.00 0.00 H new ATOM 0 HH12 ARG A 135 5.828 -1.028 -17.758 1.00 0.00 H new ATOM 0 HH21 ARG A 135 2.778 0.296 -18.926 1.00 0.00 H new ATOM 0 HH22 ARG A 135 4.325 -0.428 -19.375 1.00 0.00 H new ATOM 1855 N THR A 136 3.134 -4.851 -12.207 1.00 0.00 N ATOM 1856 CA THR A 136 3.814 -5.851 -11.381 1.00 0.00 C ATOM 1857 C THR A 136 5.122 -6.318 -12.054 1.00 0.00 C ATOM 1858 O THR A 136 5.643 -7.401 -11.791 1.00 0.00 O ATOM 1859 CB THR A 136 2.825 -6.979 -11.053 1.00 0.00 C ATOM 1860 OG1 THR A 136 1.519 -6.491 -10.751 1.00 0.00 O ATOM 1861 CG2 THR A 136 3.296 -7.838 -9.880 1.00 0.00 C ATOM 0 H THR A 136 3.048 -5.125 -13.186 1.00 0.00 H new ATOM 0 HA THR A 136 4.130 -5.422 -10.430 1.00 0.00 H new ATOM 0 HB THR A 136 2.782 -7.587 -11.957 1.00 0.00 H new ATOM 0 HG1 THR A 136 0.926 -7.245 -10.551 1.00 0.00 H new ATOM 0 HG21 THR A 136 2.564 -8.622 -9.686 1.00 0.00 H new ATOM 0 HG22 THR A 136 4.257 -8.291 -10.124 1.00 0.00 H new ATOM 0 HG23 THR A 136 3.404 -7.214 -8.993 1.00 0.00 H new ATOM 1869 N GLU A 137 5.639 -5.449 -12.922 1.00 0.00 N ATOM 1870 CA GLU A 137 7.000 -5.379 -13.441 1.00 0.00 C ATOM 1871 C GLU A 137 7.328 -6.550 -14.360 1.00 0.00 C ATOM 1872 O GLU A 137 6.967 -6.432 -15.552 1.00 0.00 O ATOM 1873 CB GLU A 137 8.000 -5.121 -12.287 1.00 0.00 C ATOM 1874 CG GLU A 137 9.111 -4.147 -12.714 1.00 0.00 C ATOM 1875 CD GLU A 137 10.110 -3.791 -11.600 1.00 0.00 C ATOM 1876 OE1 GLU A 137 10.385 -4.646 -10.719 1.00 0.00 O ATOM 1877 OE2 GLU A 137 10.661 -2.668 -11.640 1.00 0.00 O ATOM 0 H GLU A 137 5.059 -4.708 -13.315 1.00 0.00 H new ATOM 0 HA GLU A 137 7.096 -4.517 -14.102 1.00 0.00 H new ATOM 0 HB2 GLU A 137 7.468 -4.714 -11.427 1.00 0.00 H new ATOM 0 HB3 GLU A 137 8.444 -6.065 -11.970 1.00 0.00 H new ATOM 0 HG2 GLU A 137 9.658 -4.584 -13.549 1.00 0.00 H new ATOM 0 HG3 GLU A 137 8.651 -3.229 -13.079 1.00 0.00 H new TER 1884 GLU A 137